G4VJN9_SCHMA Loading...

40S ribosomal protein S15

AlphaFold DB , UniProt , Accession G4VJN9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 145 aa.

						>G4VJN9_SCHMA|G4VJN9
MAEETVKKRRPFKKFFYRGVDLDQLLDMNLDQIAQLMPARIRRRINRKFRTKHMTLLKKLRKSKKECPVGEKPAVVKTHIRDMIILPEMIGSVVGVYNGKSFNTVEIRPEMLGHYLGEFSITYKPVKHGRPGVGATHSSRFIPLK
					

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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	45.8	Very low	59.3	Low	237 Å²	237	178.6 Å²	178.6	100%	1.167	88%	0.877	S	S	*	*				0	120.2	0	-71.7	-179.7	172.3	0	0	106.4	E3	M1-E3 PolarHBondContact O-N 2.94Å
2	A	49.5	Very low	60.1	Low	104 Å²	104	180 Å²	180	86%	0.86	88%	0.875	S	S	*	*			trans	-65.8	119.8	-174.4	0	0	0	0	0	109.9	E4	A2-E4 PolarHBondContact O-N 3.32Å
3	E	51.2	Low	61.3	Low	185 Å²	185	180.5 Å²	180.5	86%	0.864	87%	0.87	S	S	*	*			trans	-68	112.8	174.9	-68.4	-179	158.3	0	0	109.3	M1 T5	M1-E3 PolarHBondContact O-N 2.94Å; E3-T5 PolarHBondContact O-N 3.14Å; E3-T5 VanDerWaalsContact O-N 3.07Å
4	E	59.6	Low	62.9	Low	188 Å²	188	176.7 Å²	176.7	88%	0.879	85%	0.847	S	S	*	*			trans	-67	104.2	169.9	-79.4	-170.4	145.5	0	0	109.6	A2 V6	A2-E4 PolarHBondContact O-N 3.32Å; E4-V6 PolarHBondContact O-N 3.26Å
5	T	59.1	Low	64.6	Low	125 Å²	125	168.1 Å²	168.1	77%	0.767	81%	0.805	S	S	*	*			trans	-66.3	105.4	171.2	56	0	0	0	0	109.9	E3 K7	E3-T5 PolarHBondContact O-N 3.14Å; E3-T5 VanDerWaalsContact O-N 3.07Å; T5-K7 PolarHBondContact O-N 3.31Å
6	V	64.9	Low	66.2	Low	134 Å²	134	164.4 Å²	164.4	81%	0.812	78%	0.784	S	S	*	*			trans	-62.7	108.9	173.7	-178.5	0	0	0	0	109.2	E4 K8	E4-V6 PolarHBondContact O-N 3.26Å; V6-K8 PolarHBondContact O-N 3.34Å
7	K	63.8	Low	67.7	Low	192 Å²	192	156.4 Å²	156.4	84%	0.835	75%	0.745	S	S	*	*			trans	-60.8	109.5	173.8	-76.6	178.6	178.7	172.5	0	109.3	T5 R9	T5-K7 PolarHBondContact O-N 3.31Å; K7-R9 PolarHBondContact O-N 2.74Å; K7-R9 VanDerWaalsContact O-N 3.17Å
8	K	62.4	Low	68.9	Low	198 Å²	198	155.8 Å²	155.8	86%	0.861	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-51.9	121.1	171.7	-74.6	-177.4	178.4	178.2	0	109.5	V6 R10	V6-K8 PolarHBondContact O-N 3.34Å; K8-R10 PolarHBondContact O-N 3.11Å
9	R	63.4	Low	69.9	Low	244 Å²	244	150.9 Å²	150.9	92%	0.921	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-60.8	122.9	173.1	-69.5	-175.5	176.6	-174.4	-0.4	107.9	K7	K7-R9 PolarHBondContact O-N 2.74Å; K7-R9 VanDerWaalsContact O-N 3.17Å
10	R	62.8	Low	71	Confident	238 Å²	238	144.5 Å²	144.5	90%	0.898	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-59.4	129.8	174.9	-68.5	-178.9	177.2	-177.4	-1.6	108.1	K8	K8-R10 PolarHBondContact O-N 3.11Å
11	P	69.4	Low	72	Confident	120 Å²	120	139 Å²	139	78%	0.779	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-60.2	141.7	176.5	24.9	-32.7	0	0	0	109.6	K13	P11-K13 PolarHBondContact O-N 3.25Å
12	F	69.1	Low	74	Confident	195 Å²	195	129.5 Å²	129.5	86%	0.855	63%	0.628	S	S	*	*			trans	-62.1	111.8	176.7	-175.1	-99.8	0	0	0	108.9	K14	F12-K14 PolarHBondContact O-N 2.78Å
13	K	75.5	Confident	76	Confident	186 Å²	186	129.6 Å²	129.6	81%	0.809	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-72.6	119.4	178.8	-172.7	175.4	179.2	178.8	0	108.2	P11 F15	P11-K13 PolarHBondContact O-N 3.25Å; K13-F15 PolarHBondContact O-N 3.33Å
14	K	84.7	Confident	77.9	Confident	128 Å²	128	126.1 Å²	126.1	56%	0.557	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-54.7	138.6	169.8	-71.9	-169.4	173.5	-165.3	0	109.8	F12 F16	F12-K14 PolarHBondContact O-N 2.78Å; K14-F16 HydrophobicContact CB-CD2 4.46Å; K14-F16 HydrophobicContact CB-CE2 3.82Å; K14-F16 HydrophobicContact CB-CZ 4.35Å; K14-F16 WeakPolarHBondContact O-CD2 3.47Å
15	F	88.6	Confident	79.4	Confident	47 Å²	47	117.2 Å²	117.2	21%	0.206	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-79.2	124.8	179.6	174.8	-95.9	0	0	0	109.7	K13 Y17 P109 E110 L112	K13-F15 PolarHBondContact O-N 3.33Å; F15-Y17 HydrophobicContact CZ-CD2 4.17Å; F15-P109 HydrophobicContact CB-CB 4.11Å; F15-P109 HydrophobicContact CD1-CB 3.52Å; F15-P109 HydrophobicContact CD2-CB 4.03Å; F15-P109 HydrophobicContact CE1-CB 3.88Å; F15-P109 HydrophobicContact CE2-CB 4.36Å; F15-P109 HydrophobicContact CG-CB 3.59Å; F15-P109 HydrophobicContact CZ-CB 4.28Å; F15-P109 WeakPolarHBondContact CZ-O 3.23Å; F15-E110 HydrophobicContact CD2-CG 4.01Å; F15-E110 HydrophobicContact CE2-CB 4.26Å; F15-E110 HydrophobicContact CE2-CG 3.99Å; F15-L112 HydrophobicContact CE1-CD1 3.89Å; F15-L112 HydrophobicContact CZ-CD1 4.4Å
16	F	90.3	Very high	80.9	Confident	110 Å²	110	114.7 Å²	114.7	48%	0.482	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129	172.8	-69.2	-88.6	0	0	0	109.2	K14 V20 D21	K14-F16 HydrophobicContact CB-CD2 4.46Å; K14-F16 HydrophobicContact CB-CE2 3.82Å; K14-F16 HydrophobicContact CB-CZ 4.35Å; K14-F16 WeakPolarHBondContact O-CD2 3.47Å; F16-V20 CarbonylContact C-O 3.56Å; F16-V20 WeakPolarHBondContact CA-O 3.46Å; F16-D21 HydrophobicContact CD1-CB 4.3Å; F16-D21 HydrophobicContact CE1-CB 4.03Å
17	Y	90.2	Very high	82.1	Confident	28 Å²	28	115 Å²	115	11%	0.11	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	108.8	169.3	-169.5	-99.5	0	0	0	109.3	F15 G19 V20 L25 L36 M37 P38 L112	F15-Y17 HydrophobicContact CZ-CD2 4.17Å; Y17-G19 PolarHBondContact O-N 3.34Å; Y17-G19 VanDerWaalsContact O-N 3.15Å; Y17-V20 PolarHBondContact N-O 3.07Å; Y17-V20 PolarHBondContact O-N 3.26Å; Y17-L25 HydrophobicContact CG-CD1 4.43Å; Y17-L36 HydrophobicContact CE1-CB 4.33Å; Y17-M37 HydrophobicContact CE1-CE 4.13Å; Y17-M37 HydrophobicContact CE1-SD 4.01Å; Y17-M37 PolarHBondContact OH-SD 2.99Å; Y17-P38 WeakPolarHBondContact OH-CD 3.47Å; Y17-L112 HydrophobicContact CD2-CB 4.18Å; Y17-L112 HydrophobicContact CE2-CB 4.22Å
18	R	89.6	Confident	83.4	Confident	145 Å²	145	108.3 Å²	108.3	55%	0.547	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	41	179.5	-62	-174.7	176.6	-152.8	0.4	113.7	L36	R18-L36 WeakPolarHBondContact CD-O 3.41Å; R18-L36 PolarHBondContact NE-O 2.98Å; R18-L36 PolarHBondContact NH1-O 2.9Å
19	G	89.2	Confident	84.8	Confident	64 Å²	64	104.2 Å²	104.2	66%	0.66	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-2.8	178.5	0	0	0	0	0	115.4	Y17	Y17-G19 PolarHBondContact O-N 3.34Å; Y17-G19 VanDerWaalsContact O-N 3.15Å
20	V	90.7	Very high	86	Confident	22 Å²	22	96 Å²	96	13%	0.133	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	134.4	178.2	-173.2	0	0	0	0	109.9	F16 Y17 Q24 L25 M28 L36	F16-V20 CarbonylContact C-O 3.56Å; F16-V20 WeakPolarHBondContact CA-O 3.46Å; Y17-V20 PolarHBondContact N-O 3.07Å; Y17-V20 PolarHBondContact O-N 3.26Å; V20-Q24 HydrophobicContact CG1-CB 3.53Å; V20-L25 HydrophobicContact CB-CD2 4.06Å; V20-L25 HydrophobicContact CB-CG 4.27Å; V20-L25 HydrophobicContact CG1-CD2 3.83Å; V20-L25 HydrophobicContact CG1-CG 3.85Å; V20-M28 HydrophobicContact CG1-SD 3.9Å; V20-L36 HydrophobicContact CB-CD1 4.45Å; V20-L36 HydrophobicContact CG2-CD1 3.83Å; V20-L36 HydrophobicContact CG2-CD2 4.47Å
21	D	92.3	Very high	87.3	Confident	29 Å²	29	90 Å²	90	16%	0.155	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	160.2	177.2	-159.3	-3.9	0	0	0	111.1	F16 D23 Q24 L25	F16-D21 HydrophobicContact CD1-CB 4.3Å; F16-D21 HydrophobicContact CE1-CB 4.03Å; D21-D23 VanDerWaalsContact C-N 3.34Å; D21-D23 PolarHBondContact O-N 3.26Å; D21-Q24 HydrophobicContact CB-CG 4.39Å; D21-Q24 PolarHBondContact O-N 2.87Å; D21-L25 WeakPolarHBondContact O-CG 3.3Å; D21-L25 PolarHBondContact O-N 3.34Å
22	L	88.9	Confident	88.4	Confident	38 Å²	38	88.6 Å²	88.6	20%	0.199	44%	0.437	C	S	.	.	H	α-helix	trans	-59.1	-44.1	-179.6	177.8	59.2	0	0	0	112.6	Q24 L25 L26 I90 P109	L22-Q24 VanDerWaalsContact C-N 3.3Å; L22-Q24 PolarHBondContact O-N 3.16Å; L22-L25 WeakPolarHBondContact O-CB 2.93Å; L22-L25 PolarHBondContact O-N 2.96Å; L22-L25 VanDerWaalsContact O-N 3.15Å; L22-L26 PolarHBondContact O-N 3.27Å; L22-L26 VanDerWaalsContact O-N 3.17Å; L22-I90 HydrophobicContact CD1-CD1 3.3Å; L22-I90 HydrophobicContact CD2-CG2 4.44Å; L22-P109 HydrophobicContact CD2-CG 4.25Å
23	D	89.6	Confident	89.5	Confident	106 Å²	106	79.8 Å²	79.8	57%	0.567	40%	0.399	S	S	*	.	H	α-helix	trans	-62.4	-43.1	-179.3	-62.6	-32	0	0	0	110.4	D21 L25 L26 D27	D21-D23 VanDerWaalsContact C-N 3.34Å; D21-D23 PolarHBondContact O-N 3.26Å; D23-L25 VanDerWaalsContact C-N 3.34Å; D23-L25 PolarHBondContact O-N 3.33Å; D23-L26 PolarHBondContact O-N 2.96Å; D23-L26 VanDerWaalsContact O-N 3.17Å; D23-D27 PolarHBondContact O-N 2.88Å
24	Q	91.7	Very high	90.3	Very high	111 Å²	111	71 Å²	71	52%	0.519	36%	0.361	S	S	.	.	H	α-helix	trans	-61.6	-40.7	174.6	-66.5	175.9	-18.1	0	0	111.8	V20 D21 L22 L26 D27 M28	V20-Q24 HydrophobicContact CG1-CB 3.53Å; D21-Q24 HydrophobicContact CB-CG 4.39Å; D21-Q24 PolarHBondContact O-N 2.87Å; L22-Q24 VanDerWaalsContact C-N 3.3Å; L22-Q24 PolarHBondContact O-N 3.16Å; Q24-L26 PolarHBondContact O-N 3.43Å; Q24-D27 PolarHBondContact O-N 2.93Å; Q24-M28 VanDerWaalsContact O-CG 3.23Å; Q24-M28 WeakPolarHBondContact O-CG 3.45Å; Q24-M28 PolarHBondContact O-N 3.37Å
25	L	91.6	Very high	90.6	Very high	2 Å²	2	71.5 Å²	71.5	1%	0.01	37%	0.366	C	S	.	.	H	α-helix	trans	-64.2	-27.3	177.9	-70	167.7	0	0	0	113.5	Y17 V20 D21 L22 D23 M28 L36 P87 L112	Y17-L25 HydrophobicContact CG-CD1 4.43Å; V20-L25 HydrophobicContact CB-CD2 4.06Å; V20-L25 HydrophobicContact CB-CG 4.27Å; V20-L25 HydrophobicContact CG1-CD2 3.83Å; V20-L25 HydrophobicContact CG1-CG 3.85Å; D21-L25 WeakPolarHBondContact O-CG 3.3Å; D21-L25 PolarHBondContact O-N 3.34Å; L22-L25 WeakPolarHBondContact O-CB 2.93Å; L22-L25 PolarHBondContact O-N 2.96Å; L22-L25 VanDerWaalsContact O-N 3.15Å; D23-L25 VanDerWaalsContact C-N 3.34Å; D23-L25 PolarHBondContact O-N 3.33Å; L25-M28 HydrophobicContact CD2-SD 4.26Å; L25-L36 HydrophobicContact CD2-CD1 3.98Å; L25-P87 HydrophobicContact CB-CB 4.14Å; L25-P87 HydrophobicContact CB-CG 4.21Å; L25-L112 HydrophobicContact CD1-CD1 3.92Å
26	L	90.1	Very high	90.8	Very high	72 Å²	72	71.1 Å²	71.1	38%	0.377	37%	0.365	S	S	.	.	H	α-helix	trans	-74.8	-31.7	178.2	-70.5	172	0	0	0	112.1	L22 D23 Q24 P87	L22-L26 PolarHBondContact O-N 3.27Å; L22-L26 VanDerWaalsContact O-N 3.17Å; D23-L26 PolarHBondContact O-N 2.96Å; D23-L26 VanDerWaalsContact O-N 3.17Å; Q24-L26 PolarHBondContact O-N 3.43Å; L26-P87 HydrophobicContact CD2-CB 4.14Å; L26-P87 WeakPolarHBondContact CD2-O 3.13Å
27	D	91.3	Very high	90.8	Very high	141 Å²	141	66 Å²	66	75%	0.754	34%	0.343	S	S	*	.	H	α-helix	trans	-84.9	-16.8	179.7	-64.3	-28.1	0	0	0	113	D23 Q24	D23-D27 PolarHBondContact O-N 2.88Å; Q24-D27 PolarHBondContact O-N 2.93Å
28	M	89.9	Confident	91	Very high	50 Å²	50	67 Å²	67	25%	0.246	35%	0.353	C	S	.	.	S	Bend	trans	-71.8	146.1	-177.9	-77.5	176.3	81.6	0	0	113.8	V20 Q24 L25 Q32 I33 L36	V20-M28 HydrophobicContact CG1-SD 3.9Å; Q24-M28 VanDerWaalsContact O-CG 3.23Å; Q24-M28 WeakPolarHBondContact O-CG 3.45Å; Q24-M28 PolarHBondContact O-N 3.37Å; L25-M28 HydrophobicContact CD2-SD 4.26Å; M28-Q32 HydrophobicContact CE-CB 3.53Å; M28-I33 HydrophobicContact CB-CD1 4.34Å; M28-I33 HydrophobicContact CB-CG1 3.96Å; M28-L36 HydrophobicContact CE-CD1 3.66Å; M28-L36 HydrophobicContact CE-CG 4.39Å; M28-L36 HydrophobicContact SD-CD1 4.01Å
29	N	92.3	Very high	91.2	Very high	113 Å²	113	63.9 Å²	63.9	60%	0.604	36%	0.358	S	S	*	.			trans	-70.2	151.4	172.9	-75.6	-23	0	0	0	111.7	D31 Q32 I33	N29-D31 PolarHBondContact O-N 3.36Å; N29-D31 VanDerWaalsContact O-N 3.16Å; N29-Q32 HydrophobicContact CB-CG 4.37Å; N29-Q32 WeakPolarHBondContact O-CB 3.37Å; N29-Q32 PolarHBondContact O-N 3.42Å; N29-I33 WeakPolarHBondContact O-CG1 3.41Å; N29-I33 PolarHBondContact O-N 2.98Å
30	L	88.8	Confident	91.5	Very high	70 Å²	70	70 Å²	70	37%	0.366	36%	0.361	S	S	.	.	H	α-helix	trans	-57.4	-34.5	-178.6	-173	65.7	0	0	0	113.2	I33 A34 I45 F49 L86	L30-I33 PolarHBondContact O-N 3.02Å; L30-A34 WeakPolarHBondContact O-CB 3.41Å; L30-A34 PolarHBondContact O-N 3.16Å; L30-I45 HydrophobicContact CD1-CD1 4.34Å; L30-I45 HydrophobicContact CD1-CG2 4.28Å; L30-I45 HydrophobicContact CD2-CG2 3.96Å; L30-I45 HydrophobicContact CG-CG2 3.75Å; L30-F49 HydrophobicContact CD1-CE2 4.48Å; L30-F49 HydrophobicContact CD2-CD2 4.5Å; L30-F49 HydrophobicContact CD2-CE2 4.05Å; L30-L86 HydrophobicContact CD1-CD2 3.99Å
31	D	90.6	Very high	91.6	Very high	114 Å²	114	69.2 Å²	69.2	61%	0.61	36%	0.356	S	S	*	.	H	α-helix	trans	-69.5	-37	177.9	-64.6	-36.5	0	0	0	112.2	N29 A34 Q35	N29-D31 PolarHBondContact O-N 3.36Å; N29-D31 VanDerWaalsContact O-N 3.16Å; D31-A34 WeakPolarHBondContact O-CB 3.33Å; D31-A34 PolarHBondContact O-N 2.89Å; D31-Q35 PolarHBondContact O-N 2.96Å
32	Q	92.1	Very high	91.7	Very high	89 Å²	89	72.5 Å²	72.5	42%	0.416	37%	0.367	S	S	.	.	H	α-helix	trans	-68.8	-41.8	174.3	-62.7	173.7	-34	0	0	110.4	M28 N29 A34 Q35 L36	M28-Q32 HydrophobicContact CE-CB 3.53Å; N29-Q32 HydrophobicContact CB-CG 4.37Å; N29-Q32 WeakPolarHBondContact O-CB 3.37Å; N29-Q32 PolarHBondContact O-N 3.42Å; Q32-A34 VanDerWaalsContact C-N 3.26Å; Q32-A34 PolarHBondContact O-N 3.15Å; Q32-Q35 WeakPolarHBondContact O-CB 3.45Å; Q32-Q35 PolarHBondContact O-N 3.21Å; Q32-Q35 VanDerWaalsContact O-N 3.14Å; Q32-L36 PolarHBondContact O-N 3.26Å
33	I	91.8	Very high	91.9	Very high	10 Å²	10	77.9 Å²	77.9	5%	0.051	38%	0.384	C	S	.	.	H	α-helix	trans	-58.8	-40.6	173	-64.9	165.5	0	0	0	110.3	M28 N29 L30 Q35 L36 M37 P87	M28-I33 HydrophobicContact CB-CD1 4.34Å; M28-I33 HydrophobicContact CB-CG1 3.96Å; N29-I33 WeakPolarHBondContact O-CG1 3.41Å; N29-I33 PolarHBondContact O-N 2.98Å; L30-I33 PolarHBondContact O-N 3.02Å; I33-Q35 VanDerWaalsContact C-N 3.27Å; I33-Q35 PolarHBondContact O-N 3.31Å; I33-L36 PolarHBondContact O-N 2.93Å; I33-L36 VanDerWaalsContact O-N 3.11Å; I33-M37 HydrophobicContact CG2-CE 3.78Å; I33-M37 HydrophobicContact CG2-CG 4.03Å; I33-M37 WeakPolarHBondContact O-CG 3.48Å; I33-M37 PolarHBondContact O-N 3.15Å; I33-P87 HydrophobicContact CD1-CG 4.04Å
34	A	92	Very high	92.1	Very high	2 Å²	2	75.3 Å²	75.3	2%	0.017	37%	0.366	C	S	.	.	H	α-helix	trans	-61	-35.5	178.3	0	0	0	0	0	112.6	L30 D31 Q32 M37 R42 I45	L30-A34 WeakPolarHBondContact O-CB 3.41Å; L30-A34 PolarHBondContact O-N 3.16Å; D31-A34 WeakPolarHBondContact O-CB 3.33Å; D31-A34 PolarHBondContact O-N 2.89Å; Q32-A34 VanDerWaalsContact C-N 3.26Å; Q32-A34 PolarHBondContact O-N 3.15Å; A34-M37 PolarHBondContact O-N 3.01Å; A34-R42 HydrophobicContact CB-CG 4.2Å; A34-R42 WeakPolarHBondContact O-CB 3.35Å; A34-R42 VanDerWaalsContact O-CG 3.23Å; A34-R42 WeakPolarHBondContact O-CG 3.36Å; A34-R42 PolarHBondContact O-NE 3.17Å; A34-I45 HydrophobicContact CB-CB 4.11Å; A34-I45 HydrophobicContact CB-CD1 3.94Å; A34-I45 HydrophobicContact CB-CG2 3.85Å
35	Q	92	Very high	92.1	Very high	139 Å²	139	70.4 Å²	70.4	65%	0.65	34%	0.344	S	S	*	.	H	α-helix	trans	-67.4	-38	175.2	-65.8	180	8.8	0	0	111.7	D31 Q32 I33 R42	D31-Q35 PolarHBondContact O-N 2.96Å; Q32-Q35 WeakPolarHBondContact O-CB 3.45Å; Q32-Q35 PolarHBondContact O-N 3.21Å; Q32-Q35 VanDerWaalsContact O-N 3.14Å; I33-Q35 VanDerWaalsContact C-N 3.27Å; I33-Q35 PolarHBondContact O-N 3.31Å; Q35-R42 PolarHBondContact O-NH2 3.17Å
36	L	91.8	Very high	92.2	Very high	38 Å²	38	75.2 Å²	75.2	20%	0.199	37%	0.37	C	S	.	.	H	α-helix	trans	-70.4	-30.1	174.7	-61.4	178.8	0	0	0	112.5	Y17 R18 V20 L25 M28 Q32 I33	Y17-L36 HydrophobicContact CE1-CB 4.33Å; R18-L36 WeakPolarHBondContact CD-O 3.41Å; R18-L36 PolarHBondContact NE-O 2.98Å; R18-L36 PolarHBondContact NH1-O 2.9Å; V20-L36 HydrophobicContact CB-CD1 4.45Å; V20-L36 HydrophobicContact CG2-CD1 3.83Å; V20-L36 HydrophobicContact CG2-CD2 4.47Å; L25-L36 HydrophobicContact CD2-CD1 3.98Å; M28-L36 HydrophobicContact CE-CD1 3.66Å; M28-L36 HydrophobicContact CE-CG 4.39Å; M28-L36 HydrophobicContact SD-CD1 4.01Å; Q32-L36 PolarHBondContact O-N 3.26Å; I33-L36 PolarHBondContact O-N 2.93Å; I33-L36 VanDerWaalsContact O-N 3.11Å
37	M	90.8	Very high	92.3	Very high	2 Å²	2	79.9 Å²	79.9	1%	0.01	38%	0.382	C	S	.	.	S	Bend	trans	-76.1	158	-175.3	-68.9	-77.8	174.3	0	0	113.7	Y17 I33 A34 I41 R42	Y17-M37 HydrophobicContact CE1-CE 4.13Å; Y17-M37 HydrophobicContact CE1-SD 4.01Å; Y17-M37 PolarHBondContact OH-SD 2.99Å; I33-M37 HydrophobicContact CG2-CE 3.78Å; I33-M37 HydrophobicContact CG2-CG 4.03Å; I33-M37 WeakPolarHBondContact O-CG 3.48Å; I33-M37 PolarHBondContact O-N 3.15Å; A34-M37 PolarHBondContact O-N 3.01Å; M37-I41 HydrophobicContact CB-CB 3.93Å; M37-I41 HydrophobicContact CB-CG2 3.63Å; M37-I41 HydrophobicContact CG-CG2 3.84Å; M37-I41 HydrophobicContact SD-CD1 4.17Å; M37-I41 HydrophobicContact SD-CG2 4.18Å; M37-R42 PolarHBondContact O-NH2 3.41Å
38	P	94	Very high	92.2	Very high	51 Å²	51	81.1 Å²	81.1	33%	0.331	38%	0.381	S	S	.	.			trans	-55.3	156.7	169.9	-24.4	30.3	0	0	0	114.1	Y17 R40 I41 R42	Y17-P38 WeakPolarHBondContact OH-CD 3.47Å; P38-R40 VanDerWaalsContact C-N 3.31Å; P38-R40 PolarHBondContact O-N 3.41Å; P38-R40 VanDerWaalsContact O-N 3.15Å; P38-I41 HydrophobicContact CG-CD1 4.24Å; P38-I41 PolarHBondContact O-N 3.45Å; P38-R42 PolarHBondContact O-N 3.4Å
39	A	94.4	Very high	92.2	Very high	78 Å²	78	79.9 Å²	79.9	65%	0.645	37%	0.374	S	S	*	.	H	α-helix	trans	-53.7	-40.4	-173.2	0	0	0	0	0	114.5	I41 R43	A39-I41 VanDerWaalsContact C-N 3.33Å; A39-I41 PolarHBondContact O-N 3.15Å; A39-R43 WeakPolarHBondContact O-CB 3.32Å; A39-R43 PolarHBondContact O-N 3.4Å
40	R	94.2	Very high	92.2	Very high	193 Å²	193	82.3 Å²	82.3	73%	0.728	38%	0.375	S	S	*	.	H	α-helix	trans	-61.7	-41.4	178.8	-178.9	173.8	-72.2	-163.1	-1.2	112.1	P38 R44	P38-R40 VanDerWaalsContact C-N 3.31Å; P38-R40 PolarHBondContact O-N 3.41Å; P38-R40 VanDerWaalsContact O-N 3.15Å; R40-R44 PolarHBondContact O-N 3.3Å; R40-R44 VanDerWaalsContact O-N 3.16Å
41	I	93.2	Very high	92.4	Very high	6 Å²	6	84.6 Å²	84.6	3%	0.031	39%	0.392	C	S	.	.	H	α-helix	trans	-74.9	-46.4	-178.3	-62.1	176.2	0	0	0	110.1	M37 P38 A39 R43 R44 I45 I84 G113	M37-I41 HydrophobicContact CB-CB 3.93Å; M37-I41 HydrophobicContact CB-CG2 3.63Å; M37-I41 HydrophobicContact CG-CG2 3.84Å; M37-I41 HydrophobicContact SD-CD1 4.17Å; M37-I41 HydrophobicContact SD-CG2 4.18Å; P38-I41 HydrophobicContact CG-CD1 4.24Å; P38-I41 PolarHBondContact O-N 3.45Å; A39-I41 VanDerWaalsContact C-N 3.33Å; A39-I41 PolarHBondContact O-N 3.15Å; I41-R43 VanDerWaalsContact C-N 3.28Å; I41-R43 PolarHBondContact O-N 3.36Å; I41-R44 WeakPolarHBondContact O-CA 3.45Å; I41-R44 WeakPolarHBondContact O-CB 3.4Å; I41-R44 PolarHBondContact O-N 3.49Å; I41-I45 HydrophobicContact CG2-CD1 3.86Å; I41-I45 HydrophobicContact CG2-CG1 4.39Å; I41-I45 WeakPolarHBondContact O-CG1 3.19Å; I41-I45 PolarHBondContact O-N 2.85Å; I41-I84 HydrophobicContact CB-CD1 4.48Å; I41-I84 HydrophobicContact CD1-CG2 4.37Å; I41-I84 HydrophobicContact CG2-CD1 3.88Å; I41-I84 HydrophobicContact CG2-CG1 4.44Å; I41-I84 HydrophobicContact CG2-CG2 3.91Å; I41-G113 VanDerWaalsContact CD1-C 3.42Å; I41-G113 WeakPolarHBondContact CD1-O 3.23Å
42	R	94.3	Very high	92.6	Very high	98 Å²	98	83.3 Å²	83.3	37%	0.37	38%	0.381	S	S	.	.	H	α-helix	trans	-52.5	-47.9	173.4	-172	-177.2	-55.2	165.6	2	111.1	A34 Q35 M37 P38 R44 I45 N46	A34-R42 HydrophobicContact CB-CG 4.2Å; A34-R42 WeakPolarHBondContact O-CB 3.35Å; A34-R42 VanDerWaalsContact O-CG 3.23Å; A34-R42 WeakPolarHBondContact O-CG 3.36Å; A34-R42 PolarHBondContact O-NE 3.17Å; Q35-R42 PolarHBondContact O-NH2 3.17Å; M37-R42 PolarHBondContact O-NH2 3.41Å; P38-R42 PolarHBondContact O-N 3.4Å; R42-R44 VanDerWaalsContact C-N 3.3Å; R42-R44 PolarHBondContact O-N 3.33Å; R42-I45 PolarHBondContact O-N 3.24Å; R42-N46 WeakPolarHBondContact O-CB 2.84Å; R42-N46 PolarHBondContact O-N 3.32Å; R42-N46 PolarHBondContact O-OD1 3.31Å
43	R	94.2	Very high	92.7	Very high	150 Å²	150	79.1 Å²	79.1	57%	0.566	36%	0.361	S	S	*	.	H	α-helix	trans	-58.7	-39.8	175.4	-178.5	179.8	176.9	-171.1	1.7	112.3	A39 I41 R47	A39-R43 WeakPolarHBondContact O-CB 3.32Å; A39-R43 PolarHBondContact O-N 3.4Å; I41-R43 VanDerWaalsContact C-N 3.28Å; I41-R43 PolarHBondContact O-N 3.36Å; R43-R47 WeakPolarHBondContact O-CB 3.34Å; R43-R47 VanDerWaalsContact O-CG 3.3Å; R43-R47 WeakPolarHBondContact O-CG 3.45Å; R43-R47 PolarHBondContact O-N 2.98Å
44	R	93.3	Very high	92.8	Very high	52 Å²	52	82.7 Å²	82.7	20%	0.196	38%	0.379	C	S	.	.	H	α-helix	trans	-68.7	-42.7	178.7	177.3	54.1	167	-158.9	-15.5	111.9	R40 I41 R42 R47 K48 H53 D82 I84	R40-R44 PolarHBondContact O-N 3.3Å; R40-R44 VanDerWaalsContact O-N 3.16Å; I41-R44 WeakPolarHBondContact O-CA 3.45Å; I41-R44 WeakPolarHBondContact O-CB 3.4Å; I41-R44 PolarHBondContact O-N 3.49Å; R42-R44 VanDerWaalsContact C-N 3.3Å; R42-R44 PolarHBondContact O-N 3.33Å; R44-R47 PolarHBondContact O-N 3.3Å; R44-K48 PolarHBondContact O-N 3.31Å; R44-H53 PolarHBondContact NH2-CE1 3.26Å; R44-H53 PolarHBondContact NH2-NE2 3.09Å; R44-D82 IonicContact NH2-OD2 3.58Å; R44-D82 PolarHBondContact NH2-OD2 3.35Å; R44-I84 HydrophobicContact CB-CD1 3.72Å; R44-I84 HydrophobicContact CG-CD1 3.41Å; R44-I84 VanDerWaalsContact CG-CD1 3.41Å
45	I	92.2	Very high	93	Very high	9 Å²	9	85.6 Å²	85.6	5%	0.046	40%	0.397	C	S	.	.	H	α-helix	trans	-62.4	-47.4	176	-66.1	169.3	0	0	0	110.1	L30 A34 I41 R42 R47 K48 F49	L30-I45 HydrophobicContact CD1-CD1 4.34Å; L30-I45 HydrophobicContact CD1-CG2 4.28Å; L30-I45 HydrophobicContact CD2-CG2 3.96Å; L30-I45 HydrophobicContact CG-CG2 3.75Å; A34-I45 HydrophobicContact CB-CB 4.11Å; A34-I45 HydrophobicContact CB-CD1 3.94Å; A34-I45 HydrophobicContact CB-CG2 3.85Å; I41-I45 HydrophobicContact CG2-CD1 3.86Å; I41-I45 HydrophobicContact CG2-CG1 4.39Å; I41-I45 WeakPolarHBondContact O-CG1 3.19Å; I41-I45 PolarHBondContact O-N 2.85Å; R42-I45 PolarHBondContact O-N 3.24Å; I45-R47 VanDerWaalsContact C-N 3.25Å; I45-R47 PolarHBondContact O-N 2.96Å; I45-K48 WeakPolarHBondContact O-CA 3.3Å; I45-K48 PolarHBondContact O-N 3.06Å; I45-F49 HydrophobicContact CG1-CZ 4.22Å
46	N	92.5	Very high	93.1	Very high	103 Å²	103	79.3 Å²	79.3	55%	0.551	37%	0.367	S	S	*	.	H	α-helix	trans	-62	-32.1	178.5	-67.6	3.8	0	0	0	112.8	R42 K48	R42-N46 WeakPolarHBondContact O-CB 2.84Å; R42-N46 PolarHBondContact O-N 3.32Å; R42-N46 PolarHBondContact O-OD1 3.31Å; N46-K48 PolarHBondContact O-N 3.15Å
47	R	92.3	Very high	93.2	Very high	170 Å²	170	78.4 Å²	78.4	64%	0.642	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-0.2	173.7	-75.8	-177.8	172.5	-156.2	-9	114	R43 R44 I45	R43-R47 WeakPolarHBondContact O-CB 3.34Å; R43-R47 VanDerWaalsContact O-CG 3.3Å; R43-R47 WeakPolarHBondContact O-CG 3.45Å; R43-R47 PolarHBondContact O-N 2.98Å; R44-R47 PolarHBondContact O-N 3.3Å; I45-R47 VanDerWaalsContact C-N 3.25Å; I45-R47 PolarHBondContact O-N 2.96Å
48	K	89.5	Confident	93.4	Very high	166 Å²	166	85.5 Å²	85.5	72%	0.722	39%	0.393	S	S	*	.			trans	63.8	153.9	-177.3	-55	-179.7	179.6	-179.6	0	113.7	R44 I45 N46	R44-K48 PolarHBondContact O-N 3.31Å; I45-K48 WeakPolarHBondContact O-CA 3.3Å; I45-K48 PolarHBondContact O-N 3.06Å; N46-K48 PolarHBondContact O-N 3.15Å
49	F	89.7	Confident	93.5	Very high	24 Å²	24	88.9 Å²	88.9	11%	0.105	40%	0.403	C	S	.	.			trans	-79.7	144.2	176.1	-69.4	-64	0	0	0	111.2	L30 I45 H53 M54 M83 I84 L86	L30-F49 HydrophobicContact CD1-CE2 4.48Å; L30-F49 HydrophobicContact CD2-CD2 4.5Å; L30-F49 HydrophobicContact CD2-CE2 4.05Å; I45-F49 HydrophobicContact CG1-CZ 4.22Å; F49-H53 HydrophobicContact CB-CB 3.96Å; F49-H53 HydrophobicContact CD1-CB 4.1Å; F49-H53 HydrophobicContact CG-CB 4.32Å; F49-M54 HydrophobicContact CB-CE 3.88Å; F49-M54 HydrophobicContact CB-CG 4.46Å; F49-M54 HydrophobicContact CB-SD 4.16Å; F49-M54 HydrophobicContact CD2-CE 4.2Å; F49-M83 HydrophobicContact CD1-CE 4.46Å; F49-M83 HydrophobicContact CD1-SD 4.22Å; F49-M83 HydrophobicContact CE1-CE 4.12Å; F49-M83 HydrophobicContact CE1-SD 4.03Å; F49-M83 HydrophobicContact CZ-CE 4.31Å; F49-I84 HydrophobicContact CE1-CD1 4.31Å; F49-L86 HydrophobicContact CE2-CD1 4.12Å; F49-L86 HydrophobicContact CZ-CD1 4.18Å; F49-L86 HydrophobicContact CZ-CD2 4.35Å
50	R	92.5	Very high	93.5	Very high	165 Å²	165	85.4 Å²	85.4	62%	0.623	37%	0.373	S	S	*	.			trans	-76	163.6	172.4	-61.3	-175.6	175.6	179.8	-0.6	109.9	K52 H53 M54	R50-K52 HydrophobicContact CB-CG 4.2Å; R50-K52 PolarHBondContact O-N 3.26Å; R50-K52 VanDerWaalsContact O-N 3.15Å; R50-H53 PolarHBondContact N-ND1 2.9Å; R50-H53 WeakPolarHBondContact O-CB 3.45Å; R50-H53 PolarHBondContact O-N 3.01Å; R50-M54 PolarHBondContact O-N 2.71Å
51	T	94.1	Very high	93.4	Very high	118 Å²	118	82.5 Å²	82.5	72%	0.724	36%	0.362	S	S	*	.	H	α-helix	trans	-52.1	-40.9	178.9	-41.6	0	0	0	0	112.8	H53 M54 T55	T51-H53 VanDerWaalsContact C-N 3.28Å; T51-H53 PolarHBondContact O-N 2.83Å; T51-M54 PolarHBondContact O-N 2.84Å; T51-M54 VanDerWaalsContact O-N 3.17Å; T51-T55 PolarHBondContact O-N 3.12Å; T51-T55 PolarHBondContact O-OG1 2.99Å; T51-T55 VanDerWaalsContact O-OG1 3.09Å
52	K	94.4	Very high	93.4	Very high	86 Å²	86	88.4 Å²	88.4	37%	0.374	39%	0.388	S	S	.	.	H	α-helix	trans	-56.6	-38.8	177.8	66.9	174.3	-170	162.9	0	113.3	R50 L56 I80 D82	R50-K52 HydrophobicContact CB-CG 4.2Å; R50-K52 PolarHBondContact O-N 3.26Å; R50-K52 VanDerWaalsContact O-N 3.15Å; K52-L56 PolarHBondContact O-N 3.09Å; K52-I80 HydrophobicContact CB-CD1 3.86Å; K52-I80 HydrophobicContact CD-CD1 4.32Å; K52-I80 HydrophobicContact CD-CG1 4.45Å; K52-I80 HydrophobicContact CG-CD1 4.05Å; K52-I80 WeakPolarHBondContact O-CD1 3.38Å; K52-D82 IonicContact NZ-OD1 3.85Å; K52-D82 PolarHBondContact NZ-OD1 2.92Å; K52-D82 IonicContact NZ-OD2 2.83Å; K52-D82 PolarHBondContact NZ-OD2 3.35Å
53	H	93.8	Very high	93.4	Very high	1 Å²	1	84.2 Å²	84.2	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-72.3	-40.5	179.7	-58.8	97.7	0	0	0	110.8	R44 F49 R50 T51 T55 L56 L57 D82 M83	R44-H53 PolarHBondContact NH2-CE1 3.26Å; R44-H53 PolarHBondContact NH2-NE2 3.09Å; F49-H53 HydrophobicContact CB-CB 3.96Å; F49-H53 HydrophobicContact CD1-CB 4.1Å; F49-H53 HydrophobicContact CG-CB 4.32Å; R50-H53 PolarHBondContact N-ND1 2.9Å; R50-H53 WeakPolarHBondContact O-CB 3.45Å; R50-H53 PolarHBondContact O-N 3.01Å; T51-H53 VanDerWaalsContact C-N 3.28Å; T51-H53 PolarHBondContact O-N 2.83Å; H53-T55 VanDerWaalsContact C-N 3.34Å; H53-T55 PolarHBondContact O-N 3.46Å; H53-L56 PolarHBondContact O-N 2.96Å; H53-L57 PolarHBondContact O-N 2.94Å; H53-D82 IonicContact CE1-OD2 2.79Å; H53-D82 PolarHBondContact CE1-OD2 2.99Å; H53-D82 VanDerWaalsContact CE1-OD2 3.31Å; H53-D82 IonicContact NE2-OD1 3.3Å; H53-D82 IonicContact NE2-OD2 2.84Å; H53-D82 PolarHBondContact NE2-OD2 2.99Å; H53-M83 HydrophobicContact CB-SD 3.79Å; H53-M83 PolarHBondContact CD2-SD 2.94Å
54	M	93.9	Very high	93.2	Very high	85 Å²	85	81.7 Å²	81.7	42%	0.419	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-38.9	175.3	-63.8	-54.4	-161.9	0	0	112	F49 R50 T51 L56 L57 K58	F49-M54 HydrophobicContact CB-CE 3.88Å; F49-M54 HydrophobicContact CB-CG 4.46Å; F49-M54 HydrophobicContact CB-SD 4.16Å; F49-M54 HydrophobicContact CD2-CE 4.2Å; R50-M54 PolarHBondContact O-N 2.71Å; T51-M54 PolarHBondContact O-N 2.84Å; T51-M54 VanDerWaalsContact O-N 3.17Å; M54-L56 VanDerWaalsContact C-N 3.33Å; M54-L56 PolarHBondContact O-N 3.19Å; M54-L57 PolarHBondContact O-N 3.13Å; M54-K58 WeakPolarHBondContact O-CG 3.35Å; M54-K58 PolarHBondContact O-N 3.23Å
55	T	95.6	Very high	93	Very high	64 Å²	64	88.2 Å²	88.2	39%	0.393	40%	0.396	S	S	.	.	H	α-helix	trans	-61.6	-41.6	174.7	-58.3	0	0	0	0	111.7	T51 H53 K58 K59	T51-T55 PolarHBondContact O-N 3.12Å; T51-T55 PolarHBondContact O-OG1 2.99Å; T51-T55 VanDerWaalsContact O-OG1 3.09Å; H53-T55 VanDerWaalsContact C-N 3.34Å; H53-T55 PolarHBondContact O-N 3.46Å; T55-K58 PolarHBondContact O-N 3.13Å; T55-K59 WeakPolarHBondContact O-CG 3.38Å; T55-K59 PolarHBondContact O-N 3.24Å
56	L	94.8	Very high	93	Very high	6 Å²	6	94 Å²	94	3%	0.031	42%	0.423	C	S	.	.	H	α-helix	trans	-62.5	-46.1	175	179.3	62.3	0	0	0	111.2	K52 H53 M54 K58 K59 L60 V76 T78 I80 M83 L116	K52-L56 PolarHBondContact O-N 3.09Å; H53-L56 PolarHBondContact O-N 2.96Å; M54-L56 VanDerWaalsContact C-N 3.33Å; M54-L56 PolarHBondContact O-N 3.19Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-K58 PolarHBondContact O-N 2.97Å; L56-K59 PolarHBondContact O-N 3.17Å; L56-L60 HydrophobicContact CD1-CD1 4.26Å; L56-L60 HydrophobicContact CD1-CG 4.3Å; L56-L60 HydrophobicContact CG-CD1 4.03Å; L56-L60 HydrophobicContact CG-CG 4.48Å; L56-L60 WeakPolarHBondContact O-CG 3.09Å; L56-L60 PolarHBondContact O-N 2.79Å; L56-V76 HydrophobicContact CD1-CG1 3.95Å; L56-T78 HydrophobicContact CD1-CG2 4.4Å; L56-T78 HydrophobicContact CD2-CG2 4.32Å; L56-I80 HydrophobicContact CB-CD1 4.26Å; L56-I80 HydrophobicContact CD2-CB 4.45Å; L56-I80 HydrophobicContact CD2-CD1 4.44Å; L56-M83 HydrophobicContact CD2-CB 4.33Å; L56-M83 HydrophobicContact CD2-CG 4.17Å; L56-L116 HydrophobicContact CD2-CD1 4.13Å
57	L	94.1	Very high	92.8	Very high	19 Å²	19	90.6 Å²	90.6	10%	0.099	41%	0.408	C	S	.	.	H	α-helix	trans	-60	-44.1	178.1	-174	63.2	0	0	0	111.8	H53 M54 K59 L60 R61 M89	H53-L57 PolarHBondContact O-N 2.94Å; M54-L57 PolarHBondContact O-N 3.13Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 3.03Å; L57-L60 PolarHBondContact O-N 3.17Å; L57-R61 WeakPolarHBondContact O-CG 3.42Å; L57-R61 PolarHBondContact O-N 3.08Å; L57-M89 HydrophobicContact CD1-CE 3.79Å; L57-M89 HydrophobicContact CD1-CG 4.36Å
58	K	95	Very high	92.5	Very high	151 Å²	151	86.3 Å²	86.3	66%	0.657	40%	0.401	S	S	*	.	H	α-helix	trans	-59.4	-43.4	174.9	-73.1	-179.9	-179.6	-174.7	0	112.2	M54 T55 L56 R61 K62	M54-K58 WeakPolarHBondContact O-CG 3.35Å; M54-K58 PolarHBondContact O-N 3.23Å; T55-K58 PolarHBondContact O-N 3.13Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-K58 PolarHBondContact O-N 2.97Å; K58-R61 PolarHBondContact O-N 3.33Å; K58-K62 WeakPolarHBondContact O-CB 3.37Å; K58-K62 PolarHBondContact O-N 2.83Å
59	K	95.3	Very high	92.2	Very high	122 Å²	122	86 Å²	86	53%	0.53	41%	0.413	S	S	.	.	H	α-helix	trans	-63.6	-41.9	176.9	-74.1	-178.9	178.6	-172.2	0	112.2	T55 L56 L57 K62 S63 V76	T55-K59 WeakPolarHBondContact O-CG 3.38Å; T55-K59 PolarHBondContact O-N 3.24Å; L56-K59 PolarHBondContact O-N 3.17Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 3.03Å; K59-K62 PolarHBondContact O-N 3.17Å; K59-S63 WeakPolarHBondContact O-CB 3.46Å; K59-S63 PolarHBondContact O-N 3.2Å; K59-V76 HydrophobicContact CB-CG1 4.02Å; K59-V76 HydrophobicContact CD-CG1 4.49Å
60	L	93.8	Very high	91.8	Very high	6 Å²	6	88.8 Å²	88.8	3%	0.031	45%	0.449	C	S	.	.	H	α-helix	trans	-66.5	-43.5	177.6	-68.2	171	0	0	0	111.9	L56 L57 K62 S63 K64 V76 M89 V94	L56-L60 HydrophobicContact CD1-CD1 4.26Å; L56-L60 HydrophobicContact CD1-CG 4.3Å; L56-L60 HydrophobicContact CG-CD1 4.03Å; L56-L60 HydrophobicContact CG-CG 4.48Å; L56-L60 WeakPolarHBondContact O-CG 3.09Å; L56-L60 PolarHBondContact O-N 2.79Å; L57-L60 PolarHBondContact O-N 3.17Å; L60-K62 VanDerWaalsContact C-N 3.35Å; L60-K62 PolarHBondContact O-N 3.27Å; L60-S63 PolarHBondContact O-N 3.47Å; L60-K64 WeakPolarHBondContact O-CB 3.35Å; L60-K64 PolarHBondContact O-N 3.06Å; L60-V76 HydrophobicContact CD2-CB 3.71Å; L60-V76 HydrophobicContact CD2-CG1 4.2Å; L60-V76 HydrophobicContact CD2-CG2 3.82Å; L60-M89 HydrophobicContact CD1-CE 3.84Å; L60-M89 HydrophobicContact CD1-CG 4.07Å; L60-M89 HydrophobicContact CD1-SD 3.91Å; L60-V94 HydrophobicContact CD1-CG2 4.33Å; L60-V94 HydrophobicContact CD2-CG2 3.74Å
61	R	93.2	Very high	91.6	Very high	132 Å²	132	87.6 Å²	87.6	50%	0.498	45%	0.451	S	S	.	.	H	α-helix	trans	-60	-44.1	174.4	-72.3	178.5	-179.7	-176	-0.6	111.8	L57 K58 K64 K65 E88	L57-R61 WeakPolarHBondContact O-CG 3.42Å; L57-R61 PolarHBondContact O-N 3.08Å; K58-R61 PolarHBondContact O-N 3.33Å; R61-K64 PolarHBondContact O-N 3.04Å; R61-K65 WeakPolarHBondContact O-CB 3.32Å; R61-K65 PolarHBondContact O-N 3.07Å; R61-E88 IonicContact CZ-OE1 3.31Å; R61-E88 IonicContact CZ-OE2 2.96Å; R61-E88 IonicContact NE-OE2 3.52Å; R61-E88 PolarHBondContact NE-OE2 3.44Å; R61-E88 IonicContact NH2-OE1 3.51Å; R61-E88 PolarHBondContact NH2-OE1 3.09Å; R61-E88 IonicContact NH2-OE2 2.9Å; R61-E88 PolarHBondContact NH2-OE2 2.92Å
62	K	94.2	Very high	91.3	Very high	129 Å²	129	88.2 Å²	88.2	56%	0.561	44%	0.443	S	S	*	.	H	α-helix	trans	-60.2	-50.8	175.7	-179.1	177.1	174.5	178.6	0	110.8	K58 K59 L60 K64 K65 E66	K58-K62 WeakPolarHBondContact O-CB 3.37Å; K58-K62 PolarHBondContact O-N 2.83Å; K59-K62 PolarHBondContact O-N 3.17Å; L60-K62 VanDerWaalsContact C-N 3.35Å; L60-K62 PolarHBondContact O-N 3.27Å; K62-K64 PolarHBondContact O-N 3Å; K62-K65 PolarHBondContact O-N 3.47Å; K62-K65 VanDerWaalsContact O-N 3.15Å; K62-E66 WeakPolarHBondContact CE-OE1 3.39Å; K62-E66 HydrophobicContact CG-CG 4.48Å; K62-E66 IonicContact NZ-OE1 2.71Å; K62-E66 WeakPolarHBondContact O-CG 3.45Å; K62-E66 PolarHBondContact O-N 3.26Å
63	S	92.3	Very high	91.1	Very high	11 Å²	11	84.8 Å²	84.8	8%	0.077	43%	0.43	C	S	.	.	H	α-helix	trans	-57.2	-50.4	178.7	179.4	0	0	0	0	111.2	K59 L60 K65 E66 C67 A74	K59-S63 WeakPolarHBondContact O-CB 3.46Å; K59-S63 PolarHBondContact O-N 3.2Å; L60-S63 PolarHBondContact O-N 3.47Å; S63-K65 VanDerWaalsContact C-N 3.26Å; S63-K65 PolarHBondContact O-N 3.45Å; S63-E66 PolarHBondContact O-N 3.28Å; S63-E66 VanDerWaalsContact O-N 3.14Å; S63-C67 PolarHBondContact O-N 3.49Å; S63-C67 PolarHBondContact O-SG 3.02Å; S63-A74 PolarHBondContact OG-N 3.27Å; S63-A74 PolarHBondContact OG-O 2.91Å; S63-A74 VanDerWaalsContact OG-O 3.09Å
64	K	90.1	Very high	91.1	Very high	97 Å²	97	88.1 Å²	88.1	42%	0.422	46%	0.457	S	S	.	.	H	α-helix	trans	-59.1	-33.7	178.2	-170.2	169.4	179	171.4	0	113.3	L60 R61 K62 I90	L60-K64 WeakPolarHBondContact O-CB 3.35Å; L60-K64 PolarHBondContact O-N 3.06Å; R61-K64 PolarHBondContact O-N 3.04Å; K62-K64 PolarHBondContact O-N 3Å; K64-I90 PolarHBondContact NZ-O 2.92Å
65	K	90.5	Very high	91.1	Very high	188 Å²	188	87.4 Å²	87.4	82%	0.817	46%	0.458	S	S	*	.	H	α-helix	trans	-73.1	-34.7	177.2	-175	179.4	177.9	-178.3	0	113.2	R61 K62 S63 C67	R61-K65 WeakPolarHBondContact O-CB 3.32Å; R61-K65 PolarHBondContact O-N 3.07Å; K62-K65 PolarHBondContact O-N 3.47Å; K62-K65 VanDerWaalsContact O-N 3.15Å; S63-K65 VanDerWaalsContact C-N 3.26Å; S63-K65 PolarHBondContact O-N 3.45Å; K65-C67 PolarHBondContact O-N 3.43Å
66	E	91.7	Very high	91.1	Very high	130 Å²	130	85.2 Å²	85.2	61%	0.607	44%	0.444	S	S	*	.	H	α-helix	trans	-78	-5.2	-178	-71.7	173.5	162.9	0	0	113.3	K62 S63	K62-E66 WeakPolarHBondContact CE-OE1 3.39Å; K62-E66 HydrophobicContact CG-CG 4.48Å; K62-E66 IonicContact NZ-OE1 2.71Å; K62-E66 WeakPolarHBondContact O-CG 3.45Å; K62-E66 PolarHBondContact O-N 3.26Å; S63-E66 PolarHBondContact O-N 3.28Å; S63-E66 VanDerWaalsContact O-N 3.14Å
67	C	87	Confident	91.1	Very high	33 Å²	33	91.8 Å²	91.8	22%	0.223	47%	0.472	C	S	.	.	S	Bend	trans	-83.2	136.5	-174.1	-61.8	0	0	0	0	112.1	S63 K65 P73	S63-C67 PolarHBondContact O-N 3.49Å; S63-C67 PolarHBondContact O-SG 3.02Å; K65-C67 PolarHBondContact O-N 3.43Å; C67-P73 WeakPolarHBondContact SG-CA 3.38Å; C67-P73 WeakPolarHBondContact SG-CB 3.16Å
68	P	87.3	Confident	91.2	Very high	79 Å²	79	91.2 Å²	91.2	51%	0.513	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-57.5	143.5	164.5	-21.2	32.9	0	0	0	110.9	G70 E71	P68-G70 PolarHBondContact O-N 3.45Å; P68-G70 VanDerWaalsContact O-N 3.13Å; P68-E71 PolarHBondContact O-N 3.03Å; P68-E71 VanDerWaalsContact O-N 3.15Å
69	V	82.4	Confident	91.3	Very high	159 Å²	159	90 Å²	90	96%	0.964	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	116.8	176.3	-177.1	0	0	0	0	108.4
70	G	82.3	Confident	91.3	Very high	84 Å²	84	85.3 Å²	85.3	87%	0.866	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.2	-14.5	-179.2	0	0	0	0	0	114.7	P68	P68-G70 PolarHBondContact O-N 3.45Å; P68-G70 VanDerWaalsContact O-N 3.13Å
71	E	88	Confident	91.3	Very high	139 Å²	139	88.3 Å²	88.3	65%	0.65	46%	0.458	S	S	*	.	S	Bend	trans	-100.6	153.1	175.8	-69.3	-171.9	-165.6	0	0	112.5	P68	P68-E71 PolarHBondContact O-N 3.03Å; P68-E71 VanDerWaalsContact O-N 3.15Å
72	K	87	Confident	91.4	Very high	131 Å²	131	84.7 Å²	84.7	57%	0.57	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-76.7	143.8	174.8	-69	-175.3	-177.7	-179.2	0	110	V93 E106	K72-V93 HydrophobicContact CB-CG2 4.17Å; K72-E106 WeakPolarHBondContact CE-OE1 3.26Å; K72-E106 IonicContact NZ-OE1 3.64Å; K72-E106 PolarHBondContact NZ-OE1 3.5Å; K72-E106 IonicContact NZ-OE2 3.05Å; K72-E106 PolarHBondContact NZ-OE2 3.49Å
73	P	91.6	Very high	91.4	Very high	15 Å²	15	78.6 Å²	78.6	10%	0.097	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-64.9	151.1	179.4	24	-32.1	0	0	0	114.8	C67 G91 V93	C67-P73 WeakPolarHBondContact SG-CA 3.38Å; C67-P73 WeakPolarHBondContact SG-CB 3.16Å; P73-G91 VanDerWaalsContact CD-O 3.27Å; P73-G91 WeakPolarHBondContact CD-O 3.42Å; P73-G91 VanDerWaalsContact CG-O 3.26Å; P73-G91 WeakPolarHBondContact CG-O 3.43Å; P73-V93 HydrophobicContact CG-CG2 4.41Å
74	A	92.3	Very high	91.6	Very high	70 Å²	70	78.1 Å²	78.1	58%	0.579	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-54.6	139.7	175	0	0	0	0	0	111.1	S63 V76	S63-A74 PolarHBondContact OG-N 3.27Å; S63-A74 PolarHBondContact OG-O 2.91Å; S63-A74 VanDerWaalsContact OG-O 3.09Å; A74-V76 PolarHBondContact O-N 2.93Å; A74-V76 VanDerWaalsContact O-N 3.15Å
75	V	94.3	Very high	91.8	Very high	70 Å²	70	73.5 Å²	73.5	42%	0.424	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-67.1	116.3	-174.9	-176.5	0	0	0	0	110.8	V93 T104	V75-V93 HydrophobicContact CB-CG1 4.49Å; V75-V93 HydrophobicContact CG1-CG1 4.43Å; V75-V93 HydrophobicContact CG2-CB 4.4Å; V75-V93 HydrophobicContact CG2-CG1 3.8Å; V75-T104 HydrophobicContact CG1-CG2 4.07Å; V75-T104 HydrophobicContact CG2-CG2 4.32Å
76	V	95.3	Very high	91.9	Very high	19 Å²	19	65 Å²	65	12%	0.115	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	112.7	173.3	-179.1	0	0	0	0	109.8	L56 K59 L60 A74 V93 G95	L56-V76 HydrophobicContact CD1-CG1 3.95Å; K59-V76 HydrophobicContact CB-CG1 4.02Å; K59-V76 HydrophobicContact CD-CG1 4.49Å; L60-V76 HydrophobicContact CD2-CB 3.71Å; L60-V76 HydrophobicContact CD2-CG1 4.2Å; L60-V76 HydrophobicContact CD2-CG2 3.82Å; A74-V76 PolarHBondContact O-N 2.93Å; A74-V76 VanDerWaalsContact O-N 3.15Å; V76-V93 PolarHBondContact N-O 3.44Å; V76-V93 VanDerWaalsContact N-O 3.1Å; V76-G95 PolarHBondContact O-N 3.15Å
77	K	96.1	Very high	92	Very high	143 Å²	143	58.9 Å²	58.9	62%	0.622	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	136.9	178.2	-63.8	178.1	-176	174.8	0	111.5	G95 F102	K77-G95 CarbonylContact C-O 3.58Å; K77-G95 WeakPolarHBondContact CA-O 3.2Å; K77-F102 HydrophobicContact CB-CD1 3.93Å; K77-F102 HydrophobicContact CB-CE1 3.91Å; K77-F102 HydrophobicContact CB-CG 4.38Å; K77-F102 HydrophobicContact CB-CZ 4.37Å; K77-F102 HydrophobicContact CD-CD2 4.08Å; K77-F102 HydrophobicContact CD-CE2 4.3Å; K77-F102 HydrophobicContact CD-CG 4.23Å; K77-F102 HydrophobicContact CG-CD1 4.22Å; K77-F102 HydrophobicContact CG-CG 4.19Å
78	T	96.1	Very high	92.2	Very high	8 Å²	8	61 Å²	61	5%	0.049	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	143.2	179.8	-173.1	0	0	0	0	112.7	L56 I80 V94 G95 V96 Y97 L116	L56-T78 HydrophobicContact CD1-CG2 4.4Å; L56-T78 HydrophobicContact CD2-CG2 4.32Å; T78-I80 WeakPolarHBondContact OG1-CB 3.39Å; T78-I80 WeakPolarHBondContact OG1-CG1 3.14Å; T78-I80 PolarHBondContact OG1-N 3.05Å; T78-V94 HydrophobicContact CG2-CG1 3.46Å; T78-V94 VanDerWaalsContact CG2-CG1 3.46Å; T78-G95 PolarHBondContact N-O 2.71Å; T78-V96 HydrophobicContact CG2-CG2 4.5Å; T78-Y97 PolarHBondContact O-N 2.8Å; T78-L116 HydrophobicContact CG2-CD1 4.24Å
79	H	96.2	Very high	92.5	Very high	124 Å²	124	57.2 Å²	57.2	57%	0.574	32%	0.316	S	S	*	.			trans	-93.5	-5.7	167.9	-64.5	90.5	0	0	0	112.1	R81 Y97 F102	H79-R81 PolarHBondContact O-N 3.33Å; H79-Y97 AromaticContact CD2-CD1 3.4Å; H79-Y97 WeakPolarHBondContact CD2-CD1 3.44Å; H79-Y97 AromaticContact CD2-CE1 3.93Å; H79-Y97 AromaticContact CD2-CG 3.5Å; H79-Y97 VanDerWaalsContact CD2-CG 3.5Å; H79-Y97 AromaticContact NE2-CD1 3.97Å; H79-Y97 AromaticContact NE2-CG 3.85Å; H79-F102 AromaticContact CE1-CZ 3.55Å; H79-F102 AromaticContact NE2-CZ 3.64Å
80	I	95.2	Very high	92.9	Very high	24 Å²	24	50.5 Å²	50.5	12%	0.123	27%	0.274	C	S	.	.			trans	-82.4	88.6	-172.5	-51.9	176.6	0	0	0	109.1	K52 L56 T78 D82 M83	K52-I80 HydrophobicContact CB-CD1 3.86Å; K52-I80 HydrophobicContact CD-CD1 4.32Å; K52-I80 HydrophobicContact CD-CG1 4.45Å; K52-I80 HydrophobicContact CG-CD1 4.05Å; K52-I80 WeakPolarHBondContact O-CD1 3.38Å; L56-I80 HydrophobicContact CB-CD1 4.26Å; L56-I80 HydrophobicContact CD2-CB 4.45Å; L56-I80 HydrophobicContact CD2-CD1 4.44Å; T78-I80 WeakPolarHBondContact OG1-CB 3.39Å; T78-I80 WeakPolarHBondContact OG1-CG1 3.14Å; T78-I80 PolarHBondContact OG1-N 3.05Å; I80-D82 VanDerWaalsContact C-N 3.34Å; I80-D82 WeakPolarHBondContact CG2-OD1 3.37Å; I80-M83 HydrophobicContact CG2-CB 3.93Å
81	R	95.1	Very high	93.3	Very high	69 Å²	69	48.2 Å²	48.2	26%	0.26	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-20.1	176.6	-62.7	175.8	64.5	82.2	4	113	H79 M83 V96 Y97 G117 S120	H79-R81 PolarHBondContact O-N 3.33Å; R81-M83 VanDerWaalsContact C-N 3.29Å; R81-M83 PolarHBondContact O-N 3.21Å; R81-V96 HydrophobicContact CG-CG1 4.16Å; R81-Y97 WeakPolarHBondContact CD-O 3.43Å; R81-Y97 PolarHBondContact NH1-O 2.89Å; R81-G117 PolarHBondContact NH2-O 3.38Å; R81-G117 PolarHBondContact O-N 3.3Å; R81-S120 VanDerWaalsContact CZ-O 3.27Å; R81-S120 PolarHBondContact NH1-O 2.99Å; R81-S120 PolarHBondContact NH1-OG 2.94Å; R81-S120 PolarHBondContact NH2-O 2.95Å
82	D	94.6	Very high	93.6	Very high	56 Å²	56	41.7 Å²	41.7	30%	0.299	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	11	-180	69.3	-52.4	0	0	0	114	R44 K52 H53 I80	R44-D82 IonicContact NH2-OD2 3.58Å; R44-D82 PolarHBondContact NH2-OD2 3.35Å; K52-D82 IonicContact NZ-OD1 3.85Å; K52-D82 PolarHBondContact NZ-OD1 2.92Å; K52-D82 IonicContact NZ-OD2 2.83Å; K52-D82 PolarHBondContact NZ-OD2 3.35Å; H53-D82 IonicContact CE1-OD2 2.79Å; H53-D82 PolarHBondContact CE1-OD2 2.99Å; H53-D82 VanDerWaalsContact CE1-OD2 3.31Å; H53-D82 IonicContact NE2-OD1 3.3Å; H53-D82 IonicContact NE2-OD2 2.84Å; H53-D82 PolarHBondContact NE2-OD2 2.99Å; I80-D82 VanDerWaalsContact C-N 3.34Å; I80-D82 WeakPolarHBondContact CG2-OD1 3.37Å
83	M	94.7	Very high	94	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	20%	0.198	C	C	.	.			trans	-82.6	135.1	174.1	-173.4	57.1	-176.8	0	0	110.1	F49 H53 L56 I80 R81 L86 M89 Y115 L116	F49-M83 HydrophobicContact CD1-CE 4.46Å; F49-M83 HydrophobicContact CD1-SD 4.22Å; F49-M83 HydrophobicContact CE1-CE 4.12Å; F49-M83 HydrophobicContact CE1-SD 4.03Å; F49-M83 HydrophobicContact CZ-CE 4.31Å; H53-M83 HydrophobicContact CB-SD 3.79Å; H53-M83 PolarHBondContact CD2-SD 2.94Å; L56-M83 HydrophobicContact CD2-CB 4.33Å; L56-M83 HydrophobicContact CD2-CG 4.17Å; I80-M83 HydrophobicContact CG2-CB 3.93Å; R81-M83 VanDerWaalsContact C-N 3.29Å; R81-M83 PolarHBondContact O-N 3.21Å; M83-L86 HydrophobicContact CE-CD1 3.91Å; M83-L86 HydrophobicContact CE-CG 4.37Å; M83-M89 HydrophobicContact CE-CE 3.33Å; M83-M89 HydrophobicContact CG-CE 4.08Å; M83-Y115 WeakPolarHBondContact O-CA 3.4Å; M83-L116 HydrophobicContact CB-CD1 3.87Å; M83-L116 HydrophobicContact CB-CG 4.26Å; M83-L116 HydrophobicContact CG-CD1 4.31Å; M83-L116 PolarHBondContact O-N 3.25Å
84	I	95.1	Very high	94.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-83.7	139.3	173.3	-60.4	149.2	0	0	0	108.1	I41 R44 F49 L86 Y115	I41-I84 HydrophobicContact CB-CD1 4.48Å; I41-I84 HydrophobicContact CD1-CG2 4.37Å; I41-I84 HydrophobicContact CG2-CD1 3.88Å; I41-I84 HydrophobicContact CG2-CG1 4.44Å; I41-I84 HydrophobicContact CG2-CG2 3.91Å; R44-I84 HydrophobicContact CB-CD1 3.72Å; R44-I84 HydrophobicContact CG-CD1 3.41Å; R44-I84 VanDerWaalsContact CG-CD1 3.41Å; F49-I84 HydrophobicContact CE1-CD1 4.31Å; I84-L86 PolarHBondContact O-N 3.27Å; I84-Y115 HydrophobicContact CD1-CE1 4.21Å; I84-Y115 HydrophobicContact CG1-CD1 3.84Å; I84-Y115 HydrophobicContact CG1-CE1 3.42Å; I84-Y115 VanDerWaalsContact CG1-CE1 3.42Å
85	I	95	Very high	94.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.166	C	C	.	.			trans	-71.1	114.6	172.3	-62.8	173.6	0	0	0	108.9	I107 M111 L112 H114 L116 F119	I85-I107 HydrophobicContact CG2-CG2 3.5Å; I85-I107 VanDerWaalsContact CG2-CG2 3.5Å; I85-M111 HydrophobicContact CD1-CB 3.67Å; I85-L112 HydrophobicContact CG2-CD2 4.21Å; I85-H114 PolarHBondContact N-O 3.4Å; I85-L116 HydrophobicContact CD1-CD2 4.09Å; I85-L116 HydrophobicContact CG1-CD2 3.7Å; I85-L116 HydrophobicContact CG1-CG 4.36Å; I85-F119 HydrophobicContact CD1-CD2 3.91Å; I85-F119 HydrophobicContact CD1-CE2 3.37Å; I85-F119 HydrophobicContact CD1-CZ 4.21Å
86	L	92.7	Very high	94.5	Very high	9 Å²	9	28.9 Å²	28.9	5%	0.047	15%	0.145	C	C	.	.			trans	-94.9	155.1	176.2	-65.7	175.2	0	0	0	110.7	L30 F49 M83 I84 E88 M89	L30-L86 HydrophobicContact CD1-CD2 3.99Å; F49-L86 HydrophobicContact CE2-CD1 4.12Å; F49-L86 HydrophobicContact CZ-CD1 4.18Å; F49-L86 HydrophobicContact CZ-CD2 4.35Å; M83-L86 HydrophobicContact CE-CD1 3.91Å; M83-L86 HydrophobicContact CE-CG 4.37Å; I84-L86 PolarHBondContact O-N 3.27Å; L86-E88 PolarHBondContact O-N 3.03Å; L86-M89 HydrophobicContact CB-CG 4.42Å; L86-M89 WeakPolarHBondContact O-CB 3.36Å; L86-M89 PolarHBondContact O-N 3.18Å
87	P	93.1	Very high	94.6	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.013	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-49.9	-42.2	177.8	-29.2	36.8	0	0	0	113.8	L25 L26 I33 M89 I90 L112	L25-P87 HydrophobicContact CB-CB 4.14Å; L25-P87 HydrophobicContact CB-CG 4.21Å; L26-P87 HydrophobicContact CD2-CB 4.14Å; L26-P87 WeakPolarHBondContact CD2-O 3.13Å; I33-P87 HydrophobicContact CD1-CG 4.04Å; P87-M89 PolarHBondContact O-N 2.97Å; P87-M89 VanDerWaalsContact O-N 3.09Å; P87-I90 WeakPolarHBondContact O-CB 3.5Å; P87-I90 VanDerWaalsContact O-CG1 3.32Å; P87-I90 WeakPolarHBondContact O-CG1 3.38Å; P87-I90 PolarHBondContact O-N 3.01Å; P87-I90 VanDerWaalsContact O-N 3.09Å; P87-L112 HydrophobicContact CB-CD2 4.38Å; P87-L112 HydrophobicContact CG-CD2 4.05Å
88	E	91.7	Very high	94.6	Very high	77 Å²	77	26 Å²	26	36%	0.36	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-58.5	-26.9	179.3	-60.1	-177.9	-172.5	0	0	114.3	R61 L86 I90	R61-E88 IonicContact CZ-OE1 3.31Å; R61-E88 IonicContact CZ-OE2 2.96Å; R61-E88 IonicContact NE-OE2 3.52Å; R61-E88 PolarHBondContact NE-OE2 3.44Å; R61-E88 IonicContact NH2-OE1 3.51Å; R61-E88 PolarHBondContact NH2-OE1 3.09Å; R61-E88 IonicContact NH2-OE2 2.9Å; R61-E88 PolarHBondContact NH2-OE2 2.92Å; L86-E88 PolarHBondContact O-N 3.03Å; E88-I90 VanDerWaalsContact C-N 3.28Å; E88-I90 PolarHBondContact O-N 3.32Å
89	M	93.3	Very high	94.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-79.2	-10.7	-177.4	-59.6	-172.7	172.6	0	0	113.1	L57 L60 M83 L86 P87 G91 S92 I107	L57-M89 HydrophobicContact CD1-CE 3.79Å; L57-M89 HydrophobicContact CD1-CG 4.36Å; L60-M89 HydrophobicContact CD1-CE 3.84Å; L60-M89 HydrophobicContact CD1-CG 4.07Å; L60-M89 HydrophobicContact CD1-SD 3.91Å; M83-M89 HydrophobicContact CE-CE 3.33Å; M83-M89 HydrophobicContact CG-CE 4.08Å; L86-M89 HydrophobicContact CB-CG 4.42Å; L86-M89 WeakPolarHBondContact O-CB 3.36Å; L86-M89 PolarHBondContact O-N 3.18Å; P87-M89 PolarHBondContact O-N 2.97Å; P87-M89 VanDerWaalsContact O-N 3.09Å; M89-G91 PolarHBondContact O-N 3.48Å; M89-S92 WeakPolarHBondContact O-CB 3.44Å; M89-S92 PolarHBondContact O-N 3.02Å; M89-S92 PolarHBondContact O-OG 2.92Å; M89-I107 HydrophobicContact CB-CD1 3.68Å; M89-I107 HydrophobicContact CB-CG2 4.46Å; M89-I107 HydrophobicContact SD-CD1 4.43Å
90	I	92.3	Very high	94.5	Very high	18 Å²	18	30.8 Å²	30.8	9%	0.092	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	133.2	-179.7	-67.3	170.7	0	0	0	110.2	L22 K64 P87 E88 S92 I107 P109 L112	L22-I90 HydrophobicContact CD1-CD1 3.3Å; L22-I90 HydrophobicContact CD2-CG2 4.44Å; K64-I90 PolarHBondContact NZ-O 2.92Å; P87-I90 WeakPolarHBondContact O-CB 3.5Å; P87-I90 VanDerWaalsContact O-CG1 3.32Å; P87-I90 WeakPolarHBondContact O-CG1 3.38Å; P87-I90 PolarHBondContact O-N 3.01Å; P87-I90 VanDerWaalsContact O-N 3.09Å; E88-I90 VanDerWaalsContact C-N 3.28Å; E88-I90 PolarHBondContact O-N 3.32Å; I90-S92 VanDerWaalsContact C-N 3.29Å; I90-I107 HydrophobicContact CG1-CG2 4.33Å; I90-P109 HydrophobicContact CD1-CB 4.24Å; I90-P109 HydrophobicContact CG2-CG 3.92Å; I90-L112 HydrophobicContact CD1-CD1 3.67Å; I90-L112 HydrophobicContact CD1-CD2 3.86Å; I90-L112 HydrophobicContact CD1-CG 3.81Å; I90-L112 HydrophobicContact CG1-CD2 4.27Å; I90-L112 HydrophobicContact CG1-CG 4.49Å
91	G	90.6	Very high	94.5	Very high	35 Å²	35	32.2 Å²	32.2	36%	0.361	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-3.7	-173.8	0	0	0	0	0	114.6	P73 M89 I107	P73-G91 VanDerWaalsContact CD-O 3.27Å; P73-G91 WeakPolarHBondContact CD-O 3.42Å; P73-G91 VanDerWaalsContact CG-O 3.26Å; P73-G91 WeakPolarHBondContact CG-O 3.43Å; M89-G91 PolarHBondContact O-N 3.48Å; G91-I107 PolarHBondContact N-O 2.8Å
92	S	93.3	Very high	94.6	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.021	18%	0.179	C	C	.	.			trans	-80.2	148.5	174.7	-53.1	0	0	0	0	111.6	M89 I90 I107	M89-S92 WeakPolarHBondContact O-CB 3.44Å; M89-S92 PolarHBondContact O-N 3.02Å; M89-S92 PolarHBondContact O-OG 2.92Å; I90-S92 VanDerWaalsContact C-N 3.29Å; S92-I107 PolarHBondContact O-N 3.43Å
93	V	94.7	Very high	94.6	Very high	17 Å²	17	32.3 Å²	32.3	10%	0.103	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.3	173.1	-170.2	0	0	0	0	109.5	K72 P73 V75 V76	K72-V93 HydrophobicContact CB-CG2 4.17Å; P73-V93 HydrophobicContact CG-CG2 4.41Å; V75-V93 HydrophobicContact CB-CG1 4.49Å; V75-V93 HydrophobicContact CG1-CG1 4.43Å; V75-V93 HydrophobicContact CG2-CB 4.4Å; V75-V93 HydrophobicContact CG2-CG1 3.8Å; V76-V93 PolarHBondContact N-O 3.44Å; V76-V93 VanDerWaalsContact N-O 3.1Å
94	V	96	Very high	94.7	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.3	-175.4	-174.2	0	0	0	0	110.3	L60 T78 V96 V105 I107 L116	L60-V94 HydrophobicContact CD1-CG2 4.33Å; L60-V94 HydrophobicContact CD2-CG2 3.74Å; T78-V94 HydrophobicContact CG2-CG1 3.46Å; T78-V94 VanDerWaalsContact CG2-CG1 3.46Å; V94-V96 HydrophobicContact CB-CG2 4.47Å; V94-V96 HydrophobicContact CG1-CG2 3.92Å; V94-V96 PolarHBondContact O-N 3.47Å; V94-V105 PolarHBondContact N-O 3.06Å; V94-V105 PolarHBondContact O-N 2.85Å; V94-I107 HydrophobicContact CG2-CD1 3.55Å; V94-I107 HydrophobicContact CG2-CG1 4.18Å; V94-L116 HydrophobicContact CG1-CD1 4.16Å
95	G	96.7	Very high	94.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	100	170	0	0	0	0	0	110.1	V76 K77 T78 F102 N103	V76-G95 PolarHBondContact O-N 3.15Å; K77-G95 CarbonylContact C-O 3.58Å; K77-G95 WeakPolarHBondContact CA-O 3.2Å; T78-G95 PolarHBondContact N-O 2.71Å; G95-F102 WeakPolarHBondContact O-CD1 3.27Å; G95-N103 CarbonylContact C-O 3.51Å; G95-N103 WeakPolarHBondContact CA-O 3.44Å
96	V	97.2	Very high	94.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	119.4	-178.9	-176.2	0	0	0	0	110.3	T78 R81 V94 N98 N103 V105 L116 S120	T78-V96 HydrophobicContact CG2-CG2 4.5Å; R81-V96 HydrophobicContact CG-CG1 4.16Å; V94-V96 HydrophobicContact CB-CG2 4.47Å; V94-V96 HydrophobicContact CG1-CG2 3.92Å; V94-V96 PolarHBondContact O-N 3.47Å; V96-N98 PolarHBondContact O-N 3.38Å; V96-N103 PolarHBondContact N-O 3.44Å; V96-N103 PolarHBondContact O-N 3.49Å; V96-V105 HydrophobicContact CG2-CG2 4.13Å; V96-L116 HydrophobicContact CG2-CB 4.09Å; V96-L116 HydrophobicContact CG2-CD2 4.49Å; V96-S120 PolarHBondContact O-OG 3.05Å; V96-S120 VanDerWaalsContact O-OG 3.13Å
97	Y	97.7	Very high	94.7	Very high	71 Å²	71	41.6 Å²	41.6	28%	0.278	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	130.3	178.3	-166.3	-115.5	0	0	0	112.3	T78 H79 R81 G99 S101 F102	T78-Y97 PolarHBondContact O-N 2.8Å; H79-Y97 AromaticContact CD2-CD1 3.4Å; H79-Y97 WeakPolarHBondContact CD2-CD1 3.44Å; H79-Y97 AromaticContact CD2-CE1 3.93Å; H79-Y97 AromaticContact CD2-CG 3.5Å; H79-Y97 VanDerWaalsContact CD2-CG 3.5Å; H79-Y97 AromaticContact NE2-CD1 3.97Å; H79-Y97 AromaticContact NE2-CG 3.85Å; R81-Y97 WeakPolarHBondContact CD-O 3.43Å; R81-Y97 PolarHBondContact NH1-O 2.89Å; Y97-G99 VanDerWaalsContact OH-C 3.31Å; Y97-G99 PolarHBondContact OH-O 3.14Å; Y97-G99 VanDerWaalsContact OH-O 3.05Å; Y97-S101 WeakPolarHBondContact CA-O 3.35Å; Y97-S101 WeakPolarHBondContact CD2-O 3.36Å; Y97-F102 HydrophobicContact CD2-CD1 4.06Å; Y97-F102 HydrophobicContact CD2-CD2 4.16Å; Y97-F102 AromaticContact CD2-CE1 3.84Å; Y97-F102 HydrophobicContact CD2-CE1 3.84Å; Y97-F102 AromaticContact CD2-CE2 3.93Å; Y97-F102 HydrophobicContact CD2-CE2 3.93Å; Y97-F102 HydrophobicContact CD2-CG 4.23Å; Y97-F102 AromaticContact CD2-CZ 3.76Å; Y97-F102 HydrophobicContact CD2-CZ 3.76Å; Y97-F102 HydrophobicContact CE2-CE2 4.33Å; Y97-F102 HydrophobicContact CE2-CZ 4.43Å; Y97-F102 HydrophobicContact CG-CD1 4.48Å; Y97-F102 HydrophobicContact CG-CE1 4.15Å; Y97-F102 HydrophobicContact CG-CZ 4.38Å
98	N	95.8	Very high	94.7	Very high	30 Å²	30	47.9 Å²	47.9	16%	0.16	25%	0.253	C	S	.	.			trans	-99.1	-6.3	176.9	69.4	-3	0	0	0	114.4	V96 K100 S101 I121	V96-N98 PolarHBondContact O-N 3.38Å; N98-K100 PolarHBondContact OD1-N 2.93Å; N98-S101 PolarHBondContact N-O 2.81Å; N98-S101 PolarHBondContact ND2-OG 3.25Å; N98-S101 PolarHBondContact OD1-N 2.84Å; N98-S101 PolarHBondContact OD1-O 3.36Å; N98-S101 PolarHBondContact OD1-OG 3.37Å; N98-I121 WeakPolarHBondContact CB-O 3.49Å
99	G	94.6	Very high	94.8	Very high	52 Å²	52	45.6 Å²	45.6	54%	0.536	25%	0.246	S	C	.	.	S	Bend	trans	114.8	-15	-171.8	0	0	0	0	0	114.1	Y97	Y97-G99 VanDerWaalsContact OH-C 3.31Å; Y97-G99 PolarHBondContact OH-O 3.14Å; Y97-G99 VanDerWaalsContact OH-O 3.05Å
100	K	94.5	Very high	94.7	Very high	181 Å²	181	50.3 Å²	50.3	79%	0.787	27%	0.267	S	S	*	.	S	Bend	trans	-135.3	-44.9	176.7	-176.8	175.2	-178.4	172.3	0	112.4	N98	N98-K100 PolarHBondContact OD1-N 2.93Å
101	S	95.7	Very high	94.8	Very high	53 Å²	53	51 Å²	51	37%	0.371	27%	0.27	S	S	.	.	S	Bend	trans	-129.4	161.7	-176.2	56.6	0	0	0	0	111.6	Y97 N98 N103	Y97-S101 WeakPolarHBondContact CA-O 3.35Å; Y97-S101 WeakPolarHBondContact CD2-O 3.36Å; N98-S101 PolarHBondContact N-O 2.81Å; N98-S101 PolarHBondContact ND2-OG 3.25Å; N98-S101 PolarHBondContact OD1-N 2.84Å; N98-S101 PolarHBondContact OD1-O 3.36Å; N98-S101 PolarHBondContact OD1-OG 3.37Å; S101-N103 PolarHBondContact OG-OD1 2.86Å
102	F	96.8	Very high	94.9	Very high	72 Å²	72	49.5 Å²	49.5	32%	0.316	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.8	168.4	-67.6	-85.1	0	0	0	108.9	K77 H79 G95 Y97	K77-F102 HydrophobicContact CB-CD1 3.93Å; K77-F102 HydrophobicContact CB-CE1 3.91Å; K77-F102 HydrophobicContact CB-CG 4.38Å; K77-F102 HydrophobicContact CB-CZ 4.37Å; K77-F102 HydrophobicContact CD-CD2 4.08Å; K77-F102 HydrophobicContact CD-CE2 4.3Å; K77-F102 HydrophobicContact CD-CG 4.23Å; K77-F102 HydrophobicContact CG-CD1 4.22Å; K77-F102 HydrophobicContact CG-CG 4.19Å; H79-F102 AromaticContact CE1-CZ 3.55Å; H79-F102 AromaticContact NE2-CZ 3.64Å; G95-F102 WeakPolarHBondContact O-CD1 3.27Å; Y97-F102 HydrophobicContact CD2-CD1 4.06Å; Y97-F102 HydrophobicContact CD2-CD2 4.16Å; Y97-F102 AromaticContact CD2-CE1 3.84Å; Y97-F102 HydrophobicContact CD2-CE1 3.84Å; Y97-F102 AromaticContact CD2-CE2 3.93Å; Y97-F102 HydrophobicContact CD2-CE2 3.93Å; Y97-F102 HydrophobicContact CD2-CG 4.23Å; Y97-F102 AromaticContact CD2-CZ 3.76Å; Y97-F102 HydrophobicContact CD2-CZ 3.76Å; Y97-F102 HydrophobicContact CE2-CE2 4.33Å; Y97-F102 HydrophobicContact CE2-CZ 4.43Å; Y97-F102 HydrophobicContact CG-CD1 4.48Å; Y97-F102 HydrophobicContact CG-CE1 4.15Å; Y97-F102 HydrophobicContact CG-CZ 4.38Å
103	N	95.1	Very high	94.8	Very high	55 Å²	55	49.9 Å²	49.9	29%	0.294	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.4	174.7	-65.2	-5.3	0	0	0	108.5	G95 V96 S101 V105 S120	G95-N103 CarbonylContact C-O 3.51Å; G95-N103 WeakPolarHBondContact CA-O 3.44Å; V96-N103 PolarHBondContact N-O 3.44Å; V96-N103 PolarHBondContact O-N 3.49Å; S101-N103 PolarHBondContact OG-OD1 2.86Å; N103-V105 PolarHBondContact O-N 3.1Å; N103-S120 PolarHBondContact ND2-OG 2.81Å
104	T	95.9	Very high	94.8	Very high	102 Å²	102	52.7 Å²	52.7	63%	0.626	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	119.2	178.5	49.3	0	0	0	0	110.2	V75	V75-T104 HydrophobicContact CG1-CG2 4.07Å; V75-T104 HydrophobicContact CG2-CG2 4.32Å
105	V	95.2	Very high	94.8	Very high	13 Å²	13	55.1 Å²	55.1	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.4	177.5	-177.9	0	0	0	0	108.1	V94 V96 N103 M111 F119	V94-V105 PolarHBondContact N-O 3.06Å; V94-V105 PolarHBondContact O-N 2.85Å; V96-V105 HydrophobicContact CG2-CG2 4.13Å; N103-V105 PolarHBondContact O-N 3.1Å; V105-M111 HydrophobicContact CG1-SD 4.38Å; V105-F119 HydrophobicContact CG1-CB 3.86Å; V105-F119 HydrophobicContact CG1-CG 4.27Å; V105-F119 HydrophobicContact CG2-CB 3.98Å
106	E	94.7	Very high	94.7	Very high	89 Å²	89	55.1 Å²	55.1	42%	0.416	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	121.7	167.5	178.6	175.3	-173.3	0	0	109	K72 R108	K72-E106 WeakPolarHBondContact CE-OE1 3.26Å; K72-E106 IonicContact NZ-OE1 3.64Å; K72-E106 PolarHBondContact NZ-OE1 3.5Å; K72-E106 IonicContact NZ-OE2 3.05Å; K72-E106 PolarHBondContact NZ-OE2 3.49Å; E106-R108 PolarHBondContact O-N 2.87Å
107	I	94.7	Very high	94.6	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.015	29%	0.287	C	S	.	.			trans	-78.5	109.9	-176.4	-62	179.5	0	0	0	109.4	I85 M89 I90 G91 S92 V94 L116	I85-I107 HydrophobicContact CG2-CG2 3.5Å; I85-I107 VanDerWaalsContact CG2-CG2 3.5Å; M89-I107 HydrophobicContact CB-CD1 3.68Å; M89-I107 HydrophobicContact CB-CG2 4.46Å; M89-I107 HydrophobicContact SD-CD1 4.43Å; I90-I107 HydrophobicContact CG1-CG2 4.33Å; G91-I107 PolarHBondContact N-O 2.8Å; S92-I107 PolarHBondContact O-N 3.43Å; V94-I107 HydrophobicContact CG2-CD1 3.55Å; V94-I107 HydrophobicContact CG2-CG1 4.18Å; I107-L116 HydrophobicContact CD1-CD2 4.28Å
108	R	93.1	Very high	94.5	Very high	133 Å²	133	57.3 Å²	57.3	50%	0.502	30%	0.296	S	S	.	.			trans	-93.2	156.3	174.5	-59.7	176.1	49	165.1	3.3	112	E106 E110 M111	E106-R108 PolarHBondContact O-N 2.87Å; R108-E110 WeakPolarHBondContact CB-OE2 3.21Å; R108-E110 IonicContact CZ-OE1 3Å; R108-E110 IonicContact CZ-OE2 2.83Å; R108-E110 IonicContact NE-OE1 2.68Å; R108-E110 IonicContact NE-OE2 3.76Å; R108-E110 PolarHBondContact NE-OE2 2.68Å; R108-E110 VanDerWaalsContact NH2-CD 3.33Å; R108-E110 IonicContact NH2-OE1 3.16Å; R108-E110 PolarHBondContact NH2-OE1 3.15Å; R108-E110 IonicContact NH2-OE2 3.89Å; R108-E110 PolarHBondContact NH2-OE2 3.05Å; R108-E110 PolarHBondContact O-N 3.45Å; R108-M111 HydrophobicContact CB-CE 4.3Å; R108-M111 HydrophobicContact CB-CG 4.25Å; R108-M111 HydrophobicContact CB-SD 4.31Å; R108-M111 HydrophobicContact CG-CE 4.19Å; R108-M111 WeakPolarHBondContact O-CB 3.17Å; R108-M111 PolarHBondContact O-N 3.13Å; R108-M111 VanDerWaalsContact O-N 3.08Å
109	P	92.6	Very high	94.4	Very high	30 Å²	30	59 Å²	59	20%	0.195	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-56.9	-34.2	177.5	-23.9	33.4	0	0	0	113.8	F15 L22 I90 M111 L112	F15-P109 HydrophobicContact CB-CB 4.11Å; F15-P109 HydrophobicContact CD1-CB 3.52Å; F15-P109 HydrophobicContact CD2-CB 4.03Å; F15-P109 HydrophobicContact CE1-CB 3.88Å; F15-P109 HydrophobicContact CE2-CB 4.36Å; F15-P109 HydrophobicContact CG-CB 3.59Å; F15-P109 HydrophobicContact CZ-CB 4.28Å; F15-P109 WeakPolarHBondContact CZ-O 3.23Å; L22-P109 HydrophobicContact CD2-CG 4.25Å; I90-P109 HydrophobicContact CD1-CB 4.24Å; I90-P109 HydrophobicContact CG2-CG 3.92Å; P109-M111 PolarHBondContact O-N 3.14Å; P109-M111 VanDerWaalsContact O-N 3.13Å; P109-L112 WeakPolarHBondContact O-CB 3.23Å; P109-L112 VanDerWaalsContact O-CG 3.3Å; P109-L112 WeakPolarHBondContact O-CG 3.4Å; P109-L112 PolarHBondContact O-N 2.91Å; P109-L112 VanDerWaalsContact O-N 3.17Å
110	E	92.2	Very high	94.4	Very high	99 Å²	99	56.5 Å²	56.5	46%	0.463	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-68.4	-13.8	-179.1	-51.8	91.6	159.2	0	0	113.5	F15 R108 L112	F15-E110 HydrophobicContact CD2-CG 4.01Å; F15-E110 HydrophobicContact CE2-CB 4.26Å; F15-E110 HydrophobicContact CE2-CG 3.99Å; R108-E110 WeakPolarHBondContact CB-OE2 3.21Å; R108-E110 IonicContact CZ-OE1 3Å; R108-E110 IonicContact CZ-OE2 2.83Å; R108-E110 IonicContact NE-OE1 2.68Å; R108-E110 IonicContact NE-OE2 3.76Å; R108-E110 PolarHBondContact NE-OE2 2.68Å; R108-E110 VanDerWaalsContact NH2-CD 3.33Å; R108-E110 IonicContact NH2-OE1 3.16Å; R108-E110 PolarHBondContact NH2-OE1 3.15Å; R108-E110 IonicContact NH2-OE2 3.89Å; R108-E110 PolarHBondContact NH2-OE2 3.05Å; R108-E110 PolarHBondContact O-N 3.45Å; E110-L112 VanDerWaalsContact C-N 3.27Å
111	M	94	Very high	94.5	Very high	32 Å²	32	52.4 Å²	52.4	16%	0.158	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-85.4	0.6	178.6	-56.5	179.5	174	0	0	112.7	I85 V105 R108 P109 G113 H114 F119	I85-M111 HydrophobicContact CD1-CB 3.67Å; V105-M111 HydrophobicContact CG1-SD 4.38Å; R108-M111 HydrophobicContact CB-CE 4.3Å; R108-M111 HydrophobicContact CB-CG 4.25Å; R108-M111 HydrophobicContact CB-SD 4.31Å; R108-M111 HydrophobicContact CG-CE 4.19Å; R108-M111 WeakPolarHBondContact O-CB 3.17Å; R108-M111 PolarHBondContact O-N 3.13Å; R108-M111 VanDerWaalsContact O-N 3.08Å; P109-M111 PolarHBondContact O-N 3.14Å; P109-M111 VanDerWaalsContact O-N 3.13Å; M111-G113 PolarHBondContact O-N 3.01Å; M111-H114 WeakPolarHBondContact O-CB 2.73Å; M111-H114 PolarHBondContact O-N 2.91Å; M111-H114 VanDerWaalsContact O-N 3.13Å; M111-F119 HydrophobicContact CB-CE1 4.19Å; M111-F119 HydrophobicContact CB-CE2 4.05Å; M111-F119 HydrophobicContact CB-CZ 3.56Å; M111-F119 HydrophobicContact CE-CD1 3.95Å; M111-F119 HydrophobicContact CE-CE1 3.9Å; M111-F119 HydrophobicContact CG-CD1 4.45Å; M111-F119 HydrophobicContact CG-CE1 3.62Å; M111-F119 HydrophobicContact CG-CE2 4.3Å; M111-F119 HydrophobicContact CG-CZ 3.53Å; M111-F119 HydrophobicContact SD-CD1 4.03Å; M111-F119 HydrophobicContact SD-CE1 3.79Å; M111-F119 HydrophobicContact SD-CE2 4.36Å; M111-F119 HydrophobicContact SD-CG 4.41Å; M111-F119 HydrophobicContact SD-CZ 3.97Å
112	L	92.4	Very high	94.5	Very high	5 Å²	5	54 Å²	54	3%	0.026	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	130.8	178.5	-77.7	175.5	0	0	0	112	F15 Y17 L25 I85 P87 I90 P109 E110	F15-L112 HydrophobicContact CE1-CD1 3.89Å; F15-L112 HydrophobicContact CZ-CD1 4.4Å; Y17-L112 HydrophobicContact CD2-CB 4.18Å; Y17-L112 HydrophobicContact CE2-CB 4.22Å; L25-L112 HydrophobicContact CD1-CD1 3.92Å; I85-L112 HydrophobicContact CG2-CD2 4.21Å; P87-L112 HydrophobicContact CB-CD2 4.38Å; P87-L112 HydrophobicContact CG-CD2 4.05Å; I90-L112 HydrophobicContact CD1-CD1 3.67Å; I90-L112 HydrophobicContact CD1-CD2 3.86Å; I90-L112 HydrophobicContact CD1-CG 3.81Å; I90-L112 HydrophobicContact CG1-CD2 4.27Å; I90-L112 HydrophobicContact CG1-CG 4.49Å; P109-L112 WeakPolarHBondContact O-CB 3.23Å; P109-L112 VanDerWaalsContact O-CG 3.3Å; P109-L112 WeakPolarHBondContact O-CG 3.4Å; P109-L112 PolarHBondContact O-N 2.91Å; P109-L112 VanDerWaalsContact O-N 3.17Å; E110-L112 VanDerWaalsContact C-N 3.27Å
113	G	90.6	Very high	94.3	Very high	11 Å²	11	58.3 Å²	58.3	11%	0.113	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	10.8	-177.1	0	0	0	0	0	114.7	I41 M111	I41-G113 VanDerWaalsContact CD1-C 3.42Å; I41-G113 WeakPolarHBondContact CD1-O 3.23Å; M111-G113 PolarHBondContact O-N 3.01Å
114	H	95.5	Very high	94.2	Very high	76 Å²	76	64.1 Å²	64.1	35%	0.352	31%	0.308	S	S	.	.			trans	-102.9	159.7	169.3	-68.1	-82.2	0	0	0	111.2	I85 M111 E118 F119	I85-H114 PolarHBondContact N-O 3.4Å; M111-H114 WeakPolarHBondContact O-CB 2.73Å; M111-H114 PolarHBondContact O-N 2.91Å; M111-H114 VanDerWaalsContact O-N 3.13Å; H114-E118 IonicContact CE1-OE2 3.85Å; H114-E118 IonicContact CG-OE2 3.33Å; H114-E118 IonicContact ND1-OE2 2.97Å; H114-E118 PolarHBondContact ND1-OE2 2.98Å; H114-F119 HydrophobicContact CB-CE2 3.55Å; H114-F119 HydrophobicContact CB-CZ 3.65Å
115	Y	96	Very high	94.1	Very high	51 Å²	51	63.9 Å²	63.9	20%	0.2	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-83.2	145.4	170.4	-68.3	-80.8	0	0	0	111	M83 I84 G117 E118	M83-Y115 WeakPolarHBondContact O-CA 3.4Å; I84-Y115 HydrophobicContact CD1-CE1 4.21Å; I84-Y115 HydrophobicContact CG1-CD1 3.84Å; I84-Y115 HydrophobicContact CG1-CE1 3.42Å; I84-Y115 VanDerWaalsContact CG1-CE1 3.42Å; Y115-G117 PolarHBondContact O-N 3.46Å; Y115-G117 VanDerWaalsContact O-N 3.12Å; Y115-E118 WeakPolarHBondContact CD2-OE1 3.47Å; Y115-E118 PolarHBondContact N-OE1 3.45Å; Y115-E118 WeakPolarHBondContact O-CB 3.47Å; Y115-E118 PolarHBondContact O-N 2.91Å
116	L	95.4	Very high	93.9	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-55.3	-33.4	176	-71.7	-178	0	0	0	112.8	L56 T78 M83 I85 V94 V96 I107 E118 F119	L56-L116 HydrophobicContact CD2-CD1 4.13Å; T78-L116 HydrophobicContact CG2-CD1 4.24Å; M83-L116 HydrophobicContact CB-CD1 3.87Å; M83-L116 HydrophobicContact CB-CG 4.26Å; M83-L116 HydrophobicContact CG-CD1 4.31Å; M83-L116 PolarHBondContact O-N 3.25Å; I85-L116 HydrophobicContact CD1-CD2 4.09Å; I85-L116 HydrophobicContact CG1-CD2 3.7Å; I85-L116 HydrophobicContact CG1-CG 4.36Å; V94-L116 HydrophobicContact CG1-CD1 4.16Å; V96-L116 HydrophobicContact CG2-CB 4.09Å; V96-L116 HydrophobicContact CG2-CD2 4.49Å; I107-L116 HydrophobicContact CD1-CD2 4.28Å; L116-E118 PolarHBondContact O-N 3.48Å; L116-F119 PolarHBondContact O-N 3.47Å
117	G	94.4	Very high	93.6	Very high	13 Å²	13	73.5 Å²	73.5	13%	0.134	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-62.4	-25.4	177.7	0	0	0	0	0	114.5	R81 Y115 F119 S120	R81-G117 PolarHBondContact NH2-O 3.38Å; R81-G117 PolarHBondContact O-N 3.3Å; Y115-G117 PolarHBondContact O-N 3.46Å; Y115-G117 VanDerWaalsContact O-N 3.12Å; G117-F119 PolarHBondContact O-N 3.34Å; G117-S120 PolarHBondContact O-N 3.02Å
118	E	94.9	Very high	93	Very high	103 Å²	103	81.9 Å²	81.9	48%	0.481	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-66.9	-28.2	-179.4	-66.2	172.4	-135.8	0	0	111.9	H114 Y115 L116	H114-E118 IonicContact CE1-OE2 3.85Å; H114-E118 IonicContact CG-OE2 3.33Å; H114-E118 IonicContact ND1-OE2 2.97Å; H114-E118 PolarHBondContact ND1-OE2 2.98Å; Y115-E118 WeakPolarHBondContact CD2-OE1 3.47Å; Y115-E118 PolarHBondContact N-OE1 3.45Å; Y115-E118 WeakPolarHBondContact O-CB 3.47Å; Y115-E118 PolarHBondContact O-N 2.91Å; L116-E118 PolarHBondContact O-N 3.48Å
119	F	95.3	Very high	92.5	Very high	66 Å²	66	78.7 Å²	78.7	29%	0.289	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-90.3	-0.9	-177.4	-57.2	-76.2	0	0	0	114	I85 V105 M111 H114 L116 G117	I85-F119 HydrophobicContact CD1-CD2 3.91Å; I85-F119 HydrophobicContact CD1-CE2 3.37Å; I85-F119 HydrophobicContact CD1-CZ 4.21Å; V105-F119 HydrophobicContact CG1-CB 3.86Å; V105-F119 HydrophobicContact CG1-CG 4.27Å; V105-F119 HydrophobicContact CG2-CB 3.98Å; M111-F119 HydrophobicContact CB-CE1 4.19Å; M111-F119 HydrophobicContact CB-CE2 4.05Å; M111-F119 HydrophobicContact CB-CZ 3.56Å; M111-F119 HydrophobicContact CE-CD1 3.95Å; M111-F119 HydrophobicContact CE-CE1 3.9Å; M111-F119 HydrophobicContact CG-CD1 4.45Å; M111-F119 HydrophobicContact CG-CE1 3.62Å; M111-F119 HydrophobicContact CG-CE2 4.3Å; M111-F119 HydrophobicContact CG-CZ 3.53Å; M111-F119 HydrophobicContact SD-CD1 4.03Å; M111-F119 HydrophobicContact SD-CE1 3.79Å; M111-F119 HydrophobicContact SD-CE2 4.36Å; M111-F119 HydrophobicContact SD-CG 4.41Å; M111-F119 HydrophobicContact SD-CZ 3.97Å; H114-F119 HydrophobicContact CB-CE2 3.55Å; H114-F119 HydrophobicContact CB-CZ 3.65Å; L116-F119 PolarHBondContact O-N 3.47Å; G117-F119 PolarHBondContact O-N 3.34Å
120	S	94.5	Very high	91.8	Very high	0 Å²	0	88 Å²	88	0%	0	44%	0.435	C	S	.	.	S	Bend	trans	-130.1	96.1	-178	177.6	0	0	0	0	110	R81 V96 N103 G117 T122	R81-S120 VanDerWaalsContact CZ-O 3.27Å; R81-S120 PolarHBondContact NH1-O 2.99Å; R81-S120 PolarHBondContact NH1-OG 2.94Å; R81-S120 PolarHBondContact NH2-O 2.95Å; V96-S120 PolarHBondContact O-OG 3.05Å; V96-S120 VanDerWaalsContact O-OG 3.13Å; N103-S120 PolarHBondContact ND2-OG 2.81Å; G117-S120 PolarHBondContact O-N 3.02Å; S120-T122 PolarHBondContact O-N 2.88Å
121	I	94.7	Very high	91.2	Very high	94 Å²	94	85.5 Å²	85.5	48%	0.482	43%	0.428	S	S	.	.			trans	-66.1	131.4	-177.8	-49.2	175.3	0	0	0	109.9	N98 Y123	N98-I121 WeakPolarHBondContact CB-O 3.49Å; I121-Y123 HydrophobicContact CG2-CD1 3.76Å; I121-Y123 HydrophobicContact CG2-CE1 3.72Å; I121-Y123 HydrophobicContact CG2-CG 4.19Å; I121-Y123 WeakPolarHBondContact CG2-O 3.4Å
122	T	96	Very high	90.6	Very high	88 Å²	88	86.7 Å²	86.7	54%	0.54	45%	0.448	S	S	.	.	S	Bend	trans	-81.8	-24.7	-177.9	52.3	0	0	0	0	113.6	S120	S120-T122 PolarHBondContact O-N 2.88Å
123	Y	93.8	Very high	89.8	Confident	161 Å²	161	94.4 Å²	94.4	63%	0.631	50%	0.495	S	S	*	.	S	Bend	trans	-114.7	164.7	-179.5	65.8	-82.9	0	0	0	111.1	I121	I121-Y123 HydrophobicContact CG2-CD1 3.76Å; I121-Y123 HydrophobicContact CG2-CE1 3.72Å; I121-Y123 HydrophobicContact CG2-CG 4.19Å; I121-Y123 WeakPolarHBondContact CG2-O 3.4Å
124	K	92.1	Very high	89.1	Confident	177 Å²	177	97.8 Å²	97.8	77%	0.77	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-90.3	132	169.7	-67.7	-177.9	176.8	-176.3	0	108.7	V126	K124-V126 PolarHBondContact O-N 2.9Å
125	P	93.5	Very high	88	Confident	98 Å²	98	96.5 Å²	96.5	64%	0.636	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-52.3	128.7	172.8	-26.3	34.4	0	0	0	110.9
126	V	92.3	Very high	86.9	Confident	107 Å²	107	98.8 Å²	98.8	65%	0.648	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-73.6	131.7	-178.6	-179.6	0	0	0	0	108.8	K124	K124-V126 PolarHBondContact O-N 2.9Å
127	K	88.2	Confident	85.5	Confident	197 Å²	197	105.6 Å²	105.6	86%	0.857	58%	0.583	S	S	*	*			trans	-106.1	110.5	165.3	-67.2	-176	179.5	-177.3	0	106.9	G129	K127-G129 PolarHBondContact O-N 3.02Å
128	H	82.5	Confident	84.3	Confident	178 Å²	178	109.7 Å²	109.7	82%	0.824	61%	0.609	S	S	*	*			trans	-66.5	122.8	177.7	-64	-71.2	0	0	0	109.3
129	G	82.2	Confident	83	Confident	66 Å²	66	107 Å²	107	68%	0.68	60%	0.603	S	S	*	*			trans	-90.8	-167.4	172.4	0	0	0	0	0	111.7	K127	K127-G129 PolarHBondContact O-N 3.02Å
130	R	76.6	Confident	81.3	Confident	227 Å²	227	111.6 Å²	111.6	86%	0.857	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-63.3	134.6	175.4	-170.3	177.2	-178	166.4	0.8	110.2
131	P	80.5	Confident	80	Confident	46 Å²	46	119.8 Å²	119.8	30%	0.299	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-61.1	140.9	172.8	28	-37.4	0	0	0	110.7	A135 S139	P131-A135 HydrophobicContact CB-CB 3.88Å; P131-S139 WeakPolarHBondContact CG-O 3.4Å
132	G	80.3	Confident	78.5	Confident	57 Å²	57	120.6 Å²	120.6	59%	0.588	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-69.9	167.1	176.8	0	0	0	0	0	113.1	G134 A135	G132-G134 PolarHBondContact O-N 2.79Å; G132-A135 PolarHBondContact O-N 3.42Å
133	V	75.7	Confident	77.2	Confident	166 Å²	166	121.1 Å²	121.1	100%	1.006	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	119.8	174.9	-176.4	0	0	0	0	108.6
134	G	76.9	Confident	75.8	Confident	82 Å²	82	121.3 Å²	121.3	85%	0.845	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	112.3	-5	-176.5	0	0	0	0	0	115.4	G132	G132-G134 PolarHBondContact O-N 2.79Å
135	A	73	Confident	74	Confident	49 Å²	49	126 Å²	126	41%	0.405	69%	0.694	S	S	.	*			trans	-72.4	144.6	176.4	0	0	0	0	0	112.2	P131 G132 S139	P131-A135 HydrophobicContact CB-CB 3.88Å; G132-A135 PolarHBondContact O-N 3.42Å; A135-S139 VanDerWaalsContact CB-OG 3.23Å; A135-S139 WeakPolarHBondContact CB-OG 3.22Å
136	T	72.1	Confident	73	Confident	99 Å²	99	127.4 Å²	127.4	61%	0.607	70%	0.697	S	S	*	*			trans	-57	146.9	179.8	47.7	0	0	0	0	111.5	S138 S139	T136-S138 PolarHBondContact O-N 3.33Å; T136-S138 PolarHBondContact OG1-OG 3.13Å; T136-S139 PolarHBondContact O-N 3.48Å; T136-S139 PolarHBondContact O-OG 2.98Å
137	H	65.9	Low	72	Confident	144 Å²	144	128.4 Å²	128.4	67%	0.667	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-54.5	-24.6	-174.2	-147.9	-85.5	0	0	0	113.7	S139 R140	H137-S139 VanDerWaalsContact C-N 3.34Å; H137-S139 PolarHBondContact O-N 3.27Å; H137-R140 PolarHBondContact CD2-NH1 3.09Å; H137-R140 PolarHBondContact NE2-NH1 3.46Å; H137-R140 PolarHBondContact O-N 3.15Å
138	S	69.6	Low	71.1	Confident	98 Å²	98	124.6 Å²	124.6	69%	0.685	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-65.1	-26.2	175.3	53.9	0	0	0	0	114.9	T136 R140	T136-S138 PolarHBondContact O-N 3.33Å; T136-S138 PolarHBondContact OG1-OG 3.13Å; S138-R140 VanDerWaalsContact C-N 3.3Å; S138-R140 PolarHBondContact O-N 3.25Å
139	S	66.5	Low	70.5	Confident	48 Å²	48	121.5 Å²	121.5	34%	0.336	68%	0.683	S	S	.	*	G	3₁₀ helix	trans	-86.8	1.7	-178.2	68.6	0	0	0	0	113.6	P131 A135 T136 H137 F141	P131-S139 WeakPolarHBondContact CG-O 3.4Å; A135-S139 VanDerWaalsContact CB-OG 3.23Å; A135-S139 WeakPolarHBondContact CB-OG 3.22Å; T136-S139 PolarHBondContact O-N 3.48Å; T136-S139 PolarHBondContact O-OG 2.98Å; H137-S139 VanDerWaalsContact C-N 3.34Å; H137-S139 PolarHBondContact O-N 3.27Å; S139-F141 PolarHBondContact O-N 3.33Å
140	R	60.6	Low	69.7	Low	161 Å²	161	124.9 Å²	124.9	61%	0.608	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-74.1	-8.8	178.5	-75.3	-177	173.6	179.9	-5.3	113.8	H137 S138 I142	H137-R140 PolarHBondContact CD2-NH1 3.09Å; H137-R140 PolarHBondContact NE2-NH1 3.46Å; H137-R140 PolarHBondContact O-N 3.15Å; S138-R140 VanDerWaalsContact C-N 3.3Å; S138-R140 PolarHBondContact O-N 3.25Å; R140-I142 PolarHBondContact O-N 3.3Å
141	F	66.3	Low	69.3	Low	172 Å²	172	118.1 Å²	118.1	75%	0.754	67%	0.671	S	S	*	*			trans	-67	106.3	178.3	-174.7	-100.5	0	0	0	110.6	S139 P143	S139-F141 PolarHBondContact O-N 3.33Å; F141-P143 HydrophobicContact CD1-CG 4.48Å; F141-P143 HydrophobicContact CE1-CB 4.3Å; F141-P143 HydrophobicContact CE1-CG 4.25Å
142	I	64.9	Low	68.5	Low	111 Å²	111	123.3 Å²	123.3	57%	0.569	70%	0.698	S	S	*	*			trans	-91.8	117.9	169	-59.6	169.1	0	0	0	105.8	R140 L144	R140-I142 PolarHBondContact O-N 3.3Å; I142-L144 PolarHBondContact O-N 3.05Å
143	P	67.9	Low	67.5	Low	99 Å²	99	128.4 Å²	128.4	64%	0.643	71%	0.707	S	S	*	*			trans	-63	109.4	170.1	-10.6	24	0	0	0	107.4	F141 K145	F141-P143 HydrophobicContact CD1-CG 4.48Å; F141-P143 HydrophobicContact CE1-CB 4.3Å; F141-P143 HydrophobicContact CE1-CG 4.25Å; P143-K145 PolarHBondContact O-N 3.28Å
144	L	65.1	Low	66.9	Low	165 Å²	165	125.3 Å²	125.3	86%	0.864	68%	0.682	S	S	*	*			trans	-63.3	125.6	163.1	-70	166.8	0	0	0	106	I142	I142-L144 PolarHBondContact O-N 3.05Å
145	K	53.9	Low	66	Low	275 Å²	275	129.2 Å²	129.2	100%	1.196	67%	0.667	S	S	*	*			trans	-60.3	0	-175.8	-162.5	-178.6	-176.3	-174.4	0	111.7	P143	P143-K145 PolarHBondContact O-N 3.28Å

Retrieved 145 of 145 residues in 31.8 ms (Link to these results)

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