M4AHJ8_XIPMA Loading...

40S ribosomal protein S15

Component of the small ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell.

AlphaFold DB , UniProt , Accession M4AHJ8, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene n/a, Length 145 aa.

						>M4AHJ8_XIPMA|M4AHJ8
MADTEIKKKRTFRKFTYRGVDLDQLLDMSYEQLMQLYCARQRRRLNRGLRRKHQSLLKRLRKAKKEAPPMEKPEVVKTHLRDMVILPEMVGSMVGVYNGKTFNQVEIKPEMCGHYLGEFSITYKPVKHGRPGIGATHSSRFIPLK
					

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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	42.5	Very low	57.4	Low	245 Å²	245	176.8 Å²	176.8	100%	1.207	88%	0.876	S	S	*	*				0	114.6	0	-73.1	175.5	171.7	0	0	105.9
2	A	44.8	Very low	58	Low	97 Å²	97	179.2 Å²	179.2	80%	0.802	88%	0.877	S	S	*	*			trans	-62.4	134.5	-164.7	0	0	0	0	0	112.5	T4	A2-T4 PolarHBondContact O-N 3.09Å; A2-T4 VanDerWaalsContact O-N 3.09Å
3	D	51.5	Low	59.1	Low	161 Å²	161	183.4 Å²	183.4	86%	0.861	88%	0.878	S	S	*	*			trans	-55.6	110	169.1	-77.1	-64.6	0	0	0	109.9	E5	D3-E5 PolarHBondContact O-N 3.1Å; D3-E5 VanDerWaalsContact O-N 3.1Å
4	T	57.3	Low	60.8	Low	126 Å²	126	182.4 Å²	182.4	77%	0.773	87%	0.868	S	S	*	*			trans	-73.8	100.7	173.5	49.9	0	0	0	0	108.7	A2 I6	A2-T4 PolarHBondContact O-N 3.09Å; A2-T4 VanDerWaalsContact O-N 3.09Å; T4-I6 PolarHBondContact O-N 2.98Å
5	E	59.8	Low	62.5	Low	184 Å²	184	173.7 Å²	173.7	86%	0.86	83%	0.825	S	S	*	*			trans	-57.2	108.9	171	-71.7	-173.2	155.4	0	0	110.5	D3 K7	D3-E5 PolarHBondContact O-N 3.1Å; D3-E5 VanDerWaalsContact O-N 3.1Å; E5-K7 PolarHBondContact O-N 3.02Å
6	I	64.7	Low	64.3	Low	158 Å²	158	167.6 Å²	167.6	81%	0.81	80%	0.803	S	S	*	*			trans	-68.3	101.8	173.4	-58.4	170.3	0	0	0	107.2	T4 K8	T4-I6 PolarHBondContact O-N 2.98Å; I6-K8 PolarHBondContact O-N 2.99Å
7	K	59.1	Low	65.8	Low	196 Å²	196	159.7 Å²	159.7	85%	0.852	76%	0.763	S	S	*	*			trans	-51.7	112.7	172.6	-73.9	-179.9	178.3	174.9	0	109.1	E5 K9	E5-K7 PolarHBondContact O-N 3.02Å; K7-K9 PolarHBondContact O-N 3.04Å
8	K	64.1	Low	67.1	Low	204 Å²	204	159.4 Å²	159.4	89%	0.887	75%	0.753	S	S	*	*			trans	-49.2	116.7	173.1	-77.3	179	177.8	174.8	0	108.5	I6 R10	I6-K8 PolarHBondContact O-N 2.99Å; K8-R10 PolarHBondContact O-N 2.9Å
9	K	62.2	Low	68.2	Low	197 Å²	197	154.6 Å²	154.6	86%	0.857	75%	0.751	S	S	*	*			trans	-52.6	126	173.3	-70.9	-179	179.4	177.4	0	107.2	K7 T11	K7-K9 PolarHBondContact O-N 3.04Å; K9-T11 PolarHBondContact O-N 3.2Å
10	R	60	Low	69.3	Low	250 Å²	250	147.7 Å²	147.7	94%	0.943	72%	0.718	S	S	*	*			trans	-55.3	108.6	176.6	-72.2	-176.9	176.8	178.1	-0.8	107.6	K8 F12	K8-R10 PolarHBondContact O-N 2.9Å; R10-F12 PolarHBondContact O-N 3.49Å
11	T	65.2	Low	70.4	Confident	127 Å²	127	144 Å²	144	78%	0.779	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-63.3	135.7	172.3	42.4	0	0	0	0	107.8	K9 R13	K9-T11 PolarHBondContact O-N 3.2Å; T11-R13 PolarHBondContact O-N 3.13Å; T11-R13 VanDerWaalsContact O-N 3.1Å
12	F	65.3	Low	72.6	Confident	205 Å²	205	134 Å²	134	90%	0.899	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-57.6	119.9	175.2	-163.1	-96.4	0	0	0	107.6	R10 K14	R10-F12 PolarHBondContact O-N 3.49Å; F12-K14 PolarHBondContact O-N 3.1Å; F12-K14 VanDerWaalsContact O-N 3.13Å
13	R	71.9	Confident	74.7	Confident	234 Å²	234	134.9 Å²	134.9	88%	0.883	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-60.5	120.2	178.7	-89.3	-179.9	164.7	179.5	-5.3	107.8	T11	T11-R13 PolarHBondContact O-N 3.13Å; T11-R13 VanDerWaalsContact O-N 3.1Å
14	K	82.5	Confident	76.6	Confident	169 Å²	169	132.3 Å²	132.3	74%	0.735	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-58.8	141.3	168.7	-69.2	-174.6	176.2	-173.5	0	108.5	F12 T16	F12-K14 PolarHBondContact O-N 3.1Å; F12-K14 VanDerWaalsContact O-N 3.13Å; K14-T16 PolarHBondContact O-N 3.36Å
15	F	87.4	Confident	78.1	Confident	52 Å²	52	126.5 Å²	126.5	23%	0.228	59%	0.592	C	S	.	*	P	Polyproline II helix	trans	-69.1	125.4	178.4	173.5	-100.3	0	0	0	109.8	Y17 L22 L25 P109 E110	F15-Y17 HydrophobicContact CZ-CD2 4.16Å; F15-L22 HydrophobicContact CD1-CB 4.32Å; F15-L25 HydrophobicContact CE1-CD1 4.36Å; F15-P109 HydrophobicContact CB-CB 4Å; F15-P109 HydrophobicContact CD1-CB 3.39Å; F15-P109 HydrophobicContact CD2-CB 3.95Å; F15-P109 HydrophobicContact CE1-CB 3.75Å; F15-P109 WeakPolarHBondContact CE1-O 3.39Å; F15-P109 HydrophobicContact CE2-CB 4.29Å; F15-P109 HydrophobicContact CG-CB 3.48Å; F15-P109 VanDerWaalsContact CG-CB 3.48Å; F15-P109 VanDerWaalsContact CZ-C 3.47Å; F15-P109 HydrophobicContact CZ-CB 4.18Å; F15-P109 WeakPolarHBondContact CZ-O 3.47Å; F15-E110 HydrophobicContact CD2-CG 3.95Å; F15-E110 HydrophobicContact CE2-CB 4.32Å; F15-E110 HydrophobicContact CE2-CG 3.96Å
16	T	90.4	Very high	79.6	Confident	77 Å²	77	121.1 Å²	121.1	47%	0.472	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.8	126	174.7	64.3	0	0	0	0	109.1	K14 V20 D21	K14-T16 PolarHBondContact O-N 3.36Å; T16-V20 CarbonylContact C-O 3.59Å; T16-V20 VanDerWaalsContact CA-O 3.32Å; T16-V20 WeakPolarHBondContact CA-O 3.32Å; T16-D21 WeakPolarHBondContact CG2-OD1 3.4Å
17	Y	90.2	Very high	80.9	Confident	33 Å²	33	120.5 Å²	120.5	13%	0.129	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.5	110.3	170.9	-170.8	-98.9	0	0	0	109.2	F15 G19 V20 L25 L36 Y37	F15-Y17 HydrophobicContact CZ-CD2 4.16Å; Y17-G19 PolarHBondContact O-N 3.15Å; Y17-V20 PolarHBondContact N-O 3.45Å; Y17-V20 WeakPolarHBondContact O-CB 3.03Å; Y17-V20 PolarHBondContact O-N 3.42Å; Y17-L25 VanDerWaalsContact CB-CD1 3.49Å; Y17-L25 HydrophobicContact CD1-CD2 4.46Å; Y17-L25 HydrophobicContact CG-CD1 4.35Å; Y17-L36 HydrophobicContact CE1-CB 4.33Å; Y17-Y37 AromaticContact CE1-CD1 3.81Å; Y17-Y37 HydrophobicContact CE1-CD1 3.81Å; Y17-Y37 HydrophobicContact CE1-CE1 4.08Å; Y17-Y37 AromaticContact CZ-CD1 3.87Å; Y17-Y37 WeakPolarHBondContact OH-CD1 3.28Å
18	R	88.7	Confident	82.3	Confident	154 Å²	154	112.9 Å²	112.9	58%	0.581	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	38.9	-179.7	-58.9	-177	176.9	-88.6	0.6	113.9	V20 L36 C38	R18-V20 VanDerWaalsContact C-N 3.34Å; R18-L36 WeakPolarHBondContact CD-O 3.44Å; R18-L36 PolarHBondContact NE-O 3.26Å; R18-C38 PolarHBondContact NH2-SG 3.34Å
19	G	88.1	Confident	83.7	Confident	69 Å²	69	105.9 Å²	105.9	71%	0.711	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	5.8	-179.5	0	0	0	0	0	115	Y17	Y17-G19 PolarHBondContact O-N 3.15Å
20	V	90.3	Very high	84.8	Confident	15 Å²	15	100.8 Å²	100.8	9%	0.091	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.9	177.1	-175.2	0	0	0	0	109.7	T16 Y17 R18 Q24 L25 M28 L36	T16-V20 CarbonylContact C-O 3.59Å; T16-V20 VanDerWaalsContact CA-O 3.32Å; T16-V20 WeakPolarHBondContact CA-O 3.32Å; Y17-V20 PolarHBondContact N-O 3.45Å; Y17-V20 WeakPolarHBondContact O-CB 3.03Å; Y17-V20 PolarHBondContact O-N 3.42Å; R18-V20 VanDerWaalsContact C-N 3.34Å; V20-Q24 HydrophobicContact CG1-CB 3.84Å; V20-Q24 HydrophobicContact CG1-CG 4.02Å; V20-L25 HydrophobicContact CB-CD2 4.07Å; V20-L25 HydrophobicContact CB-CG 4.27Å; V20-L25 HydrophobicContact CG1-CD2 3.74Å; V20-L25 HydrophobicContact CG1-CG 3.76Å; V20-M28 HydrophobicContact CB-CE 4.32Å; V20-M28 HydrophobicContact CG1-CE 3.34Å; V20-M28 HydrophobicContact CG1-SD 4.08Å; V20-M28 HydrophobicContact CG2-CE 3.98Å; V20-L36 HydrophobicContact CG2-CD1 4Å; V20-L36 HydrophobicContact CG2-CD2 4.35Å
21	D	92.1	Very high	86.2	Confident	70 Å²	70	95.8 Å²	95.8	37%	0.374	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	157.9	177.2	-75.5	-19	0	0	0	112.2	T16 D23 Q24 L25	T16-D21 WeakPolarHBondContact CG2-OD1 3.4Å; D21-D23 VanDerWaalsContact C-N 3.35Å; D21-D23 PolarHBondContact O-N 3.29Å; D21-Q24 PolarHBondContact O-N 3.13Å; D21-L25 WeakPolarHBondContact O-CG 3.45Å; D21-L25 PolarHBondContact O-N 3.23Å
22	L	88.4	Confident	87.5	Confident	36 Å²	36	95 Å²	95	19%	0.188	46%	0.462	C	S	.	.	H	α-helix	trans	-59.1	-43	-179.6	-177.4	62.1	0	0	0	113.2	F15 Q24 L25 L26 V90 P109	F15-L22 HydrophobicContact CD1-CB 4.32Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-Q24 PolarHBondContact O-N 2.95Å; L22-L25 WeakPolarHBondContact O-CB 3.44Å; L22-L25 PolarHBondContact O-N 2.87Å; L22-L25 VanDerWaalsContact O-N 3.16Å; L22-L26 HydrophobicContact CG-CD1 4.48Å; L22-L26 WeakPolarHBondContact O-CG 3.35Å; L22-L26 PolarHBondContact O-N 3.09Å; L22-L26 VanDerWaalsContact O-N 3.09Å; L22-V90 HydrophobicContact CD1-CG2 4.3Å; L22-V90 HydrophobicContact CD2-CG1 4.18Å; L22-P109 HydrophobicContact CD1-CB 4.48Å; L22-P109 HydrophobicContact CD2-CB 4.33Å; L22-P109 HydrophobicContact CD2-CG 4.07Å
23	D	89.3	Confident	88.6	Confident	116 Å²	116	85.8 Å²	85.8	62%	0.62	42%	0.422	S	S	*	.	H	α-helix	trans	-62.6	-43.1	-178.9	-58.7	-31.7	0	0	0	110	D21 L25 L26 D27	D21-D23 VanDerWaalsContact C-N 3.35Å; D21-D23 PolarHBondContact O-N 3.29Å; D23-L25 VanDerWaalsContact C-N 3.35Å; D23-L25 PolarHBondContact O-N 2.77Å; D23-L26 WeakPolarHBondContact O-CB 3.25Å; D23-L26 PolarHBondContact O-N 2.97Å; D23-L26 VanDerWaalsContact O-N 3.15Å; D23-D27 PolarHBondContact O-N 3.19Å
24	Q	90.8	Very high	89.5	Confident	106 Å²	106	75.8 Å²	75.8	50%	0.495	39%	0.386	S	S	.	.	H	α-helix	trans	-65	-37.3	175.6	-161.6	-173.3	-2.3	0	0	112.1	V20 D21 L22 L26 D27 M28	V20-Q24 HydrophobicContact CG1-CB 3.84Å; V20-Q24 HydrophobicContact CG1-CG 4.02Å; D21-Q24 PolarHBondContact O-N 3.13Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-Q24 PolarHBondContact O-N 2.95Å; Q24-L26 VanDerWaalsContact C-N 3.26Å; Q24-L26 PolarHBondContact O-N 3.38Å; Q24-D27 PolarHBondContact O-N 3.28Å; Q24-M28 HydrophobicContact CG-CE 3.93Å; Q24-M28 VanDerWaalsContact O-CG 3.24Å; Q24-M28 WeakPolarHBondContact O-CG 3.45Å; Q24-M28 PolarHBondContact O-N 3.39Å; Q24-M28 VanDerWaalsContact O-N 3.09Å
25	L	90	Very high	89.9	Confident	5 Å²	5	73.5 Å²	73.5	3%	0.026	38%	0.377	C	S	.	.	H	α-helix	trans	-64.9	-27.6	175	-70.1	167	0	0	0	113.3	F15 Y17 V20 D21 L22 D23 M28 L36 P87	F15-L25 HydrophobicContact CE1-CD1 4.36Å; Y17-L25 VanDerWaalsContact CB-CD1 3.49Å; Y17-L25 HydrophobicContact CD1-CD2 4.46Å; Y17-L25 HydrophobicContact CG-CD1 4.35Å; V20-L25 HydrophobicContact CB-CD2 4.07Å; V20-L25 HydrophobicContact CB-CG 4.27Å; V20-L25 HydrophobicContact CG1-CD2 3.74Å; V20-L25 HydrophobicContact CG1-CG 3.76Å; D21-L25 WeakPolarHBondContact O-CG 3.45Å; D21-L25 PolarHBondContact O-N 3.23Å; L22-L25 WeakPolarHBondContact O-CB 3.44Å; L22-L25 PolarHBondContact O-N 2.87Å; L22-L25 VanDerWaalsContact O-N 3.16Å; D23-L25 VanDerWaalsContact C-N 3.35Å; D23-L25 PolarHBondContact O-N 2.77Å; L25-M28 HydrophobicContact CD2-SD 4.19Å; L25-L36 HydrophobicContact CD2-CD1 3.94Å; L25-P87 HydrophobicContact CB-CB 4.17Å; L25-P87 HydrophobicContact CB-CG 4.23Å
26	L	90.9	Very high	90.1	Very high	70 Å²	70	72.8 Å²	72.8	37%	0.366	38%	0.376	S	S	.	.	H	α-helix	trans	-75.5	-34.2	177.8	-72.1	169.1	0	0	0	111.9	L22 D23 Q24 P87	L22-L26 HydrophobicContact CG-CD1 4.48Å; L22-L26 WeakPolarHBondContact O-CG 3.35Å; L22-L26 PolarHBondContact O-N 3.09Å; L22-L26 VanDerWaalsContact O-N 3.09Å; D23-L26 WeakPolarHBondContact O-CB 3.25Å; D23-L26 PolarHBondContact O-N 2.97Å; D23-L26 VanDerWaalsContact O-N 3.15Å; Q24-L26 VanDerWaalsContact C-N 3.26Å; Q24-L26 PolarHBondContact O-N 3.38Å; L26-P87 HydrophobicContact CD2-CB 4.12Å; L26-P87 WeakPolarHBondContact CD2-O 3.24Å
27	D	91.3	Very high	90.1	Very high	145 Å²	145	69.3 Å²	69.3	78%	0.775	35%	0.354	S	S	*	.	H	α-helix	trans	-87.6	-13	-179.3	-63.8	-26.3	0	0	0	113.3	D23 Q24	D23-D27 PolarHBondContact O-N 3.19Å; Q24-D27 PolarHBondContact O-N 3.28Å
28	M	90	Very high	90.3	Very high	37 Å²	37	70.4 Å²	70.4	18%	0.182	37%	0.366	C	S	.	.	S	Bend	trans	-65.4	148.6	179.8	-89.2	179.6	-173.8	0	0	113.7	V20 Q24 L25 L36	V20-M28 HydrophobicContact CB-CE 4.32Å; V20-M28 HydrophobicContact CG1-CE 3.34Å; V20-M28 HydrophobicContact CG1-SD 4.08Å; V20-M28 HydrophobicContact CG2-CE 3.98Å; Q24-M28 HydrophobicContact CG-CE 3.93Å; Q24-M28 VanDerWaalsContact O-CG 3.24Å; Q24-M28 WeakPolarHBondContact O-CG 3.45Å; Q24-M28 PolarHBondContact O-N 3.39Å; Q24-M28 VanDerWaalsContact O-N 3.09Å; L25-M28 HydrophobicContact CD2-SD 4.19Å; M28-L36 HydrophobicContact CE-CD1 4.16Å; M28-L36 HydrophobicContact SD-CD1 3.57Å; M28-L36 VanDerWaalsContact SD-CD1 3.57Å
29	S	92.4	Very high	90.5	Very high	57 Å²	57	66.8 Å²	66.8	40%	0.399	37%	0.369	S	S	.	.			trans	-72.1	156.7	172.3	80.9	0	0	0	0	111.9	E31 Q32 L33	S29-E31 PolarHBondContact O-N 3.16Å; S29-Q32 PolarHBondContact O-N 3.09Å; S29-Q32 WeakPolarHBondContact OG-CG 3.37Å; S29-Q32 PolarHBondContact OG-N 3.34Å; S29-L33 WeakPolarHBondContact O-CB 3.43Å; S29-L33 PolarHBondContact O-N 3.5Å
30	Y	86.2	Confident	90.8	Very high	89 Å²	89	71.9 Å²	71.9	35%	0.349	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-34.7	-178.6	-146.1	-100.7	0	0	0	112.7	M34 L45 L49 L86	Y30-M34 HydrophobicContact CD1-CG 4.3Å; Y30-M34 HydrophobicContact CD1-SD 3.64Å; Y30-M34 HydrophobicContact CE1-SD 4.09Å; Y30-M34 WeakPolarHBondContact O-CB 3.5Å; Y30-M34 WeakPolarHBondContact O-CG 3.49Å; Y30-M34 PolarHBondContact O-N 3.06Å; Y30-L45 HydrophobicContact CE1-CB 4.08Å; Y30-L45 HydrophobicContact CE1-CD1 3.99Å; Y30-L45 HydrophobicContact CE1-CD2 4Å; Y30-L45 HydrophobicContact CE1-CG 4.23Å; Y30-L45 WeakPolarHBondContact OH-CD2 3.38Å; Y30-L49 VanDerWaalsContact OH-CD1 3.28Å; Y30-L49 WeakPolarHBondContact OH-CD1 3.49Å; Y30-L86 HydrophobicContact CE2-CD1 4.23Å; Y30-L86 HydrophobicContact CE2-CD2 4.26Å
31	E	89.1	Confident	91	Very high	146 Å²	146	72.1 Å²	72.1	68%	0.682	37%	0.367	S	S	*	.	H	α-helix	trans	-67.5	-44.4	179	-174	177.9	-180	0	0	112.1	S29 M34 Q35	S29-E31 PolarHBondContact O-N 3.16Å; E31-M34 WeakPolarHBondContact O-CB 3.41Å; E31-M34 PolarHBondContact O-N 3.09Å; E31-Q35 PolarHBondContact O-N 3.11Å
32	Q	91.3	Very high	91	Very high	111 Å²	111	72.3 Å²	72.3	52%	0.519	36%	0.363	S	S	.	.	H	α-helix	trans	-64.3	-43.3	176.2	-69.6	174.7	-12.4	0	0	110.9	S29 M34 Q35 L36	S29-Q32 PolarHBondContact O-N 3.09Å; S29-Q32 WeakPolarHBondContact OG-CG 3.37Å; S29-Q32 PolarHBondContact OG-N 3.34Å; Q32-M34 VanDerWaalsContact C-N 3.28Å; Q32-M34 PolarHBondContact O-N 2.89Å; Q32-Q35 PolarHBondContact O-N 3.2Å; Q32-Q35 VanDerWaalsContact O-N 3.09Å; Q32-L36 PolarHBondContact O-N 2.99Å
33	L	89.4	Confident	91.3	Very high	10 Å²	10	78 Å²	78	5%	0.052	38%	0.381	C	S	.	.	H	α-helix	trans	-61.2	-37.2	177.8	-172.3	155.5	0	0	0	111.9	S29 Q35 L36 Y37 L45 L86 P87	S29-L33 WeakPolarHBondContact O-CB 3.43Å; S29-L33 PolarHBondContact O-N 3.5Å; L33-Q35 VanDerWaalsContact C-N 3.33Å; L33-Q35 PolarHBondContact O-N 3.04Å; L33-L36 PolarHBondContact O-N 3.22Å; L33-Y37 HydrophobicContact CD2-CD2 3.56Å; L33-Y37 HydrophobicContact CD2-CE1 4.21Å; L33-Y37 HydrophobicContact CD2-CE2 3.16Å; L33-Y37 HydrophobicContact CD2-CG 4.24Å; L33-Y37 HydrophobicContact CG-CE2 4.34Å; L33-Y37 PolarHBondContact O-N 3.23Å; L33-L45 HydrophobicContact CD2-CD1 4.26Å; L33-L86 HydrophobicContact CD2-CD2 4.37Å; L33-P87 HydrophobicContact CD1-CG 3.71Å
34	M	89.9	Confident	91.4	Very high	24 Å²	24	74.3 Å²	74.3	12%	0.118	36%	0.359	C	S	.	.	H	α-helix	trans	-62.5	-37.7	174.5	-76.5	165.1	59.1	0	0	112.8	Y30 E31 Q32 L36 Y37 R42 L45 N46	Y30-M34 HydrophobicContact CD1-CG 4.3Å; Y30-M34 HydrophobicContact CD1-SD 3.64Å; Y30-M34 HydrophobicContact CE1-SD 4.09Å; Y30-M34 WeakPolarHBondContact O-CB 3.5Å; Y30-M34 WeakPolarHBondContact O-CG 3.49Å; Y30-M34 PolarHBondContact O-N 3.06Å; E31-M34 WeakPolarHBondContact O-CB 3.41Å; E31-M34 PolarHBondContact O-N 3.09Å; Q32-M34 VanDerWaalsContact C-N 3.28Å; Q32-M34 PolarHBondContact O-N 2.89Å; M34-L36 VanDerWaalsContact C-N 3.31Å; M34-Y37 PolarHBondContact O-N 3.09Å; M34-R42 HydrophobicContact CB-CG 4.27Å; M34-R42 WeakPolarHBondContact O-CD 3.3Å; M34-R42 WeakPolarHBondContact O-CG 3.02Å; M34-R42 PolarHBondContact O-NE 3.12Å; M34-L45 HydrophobicContact CE-CB 4.2Å; M34-L45 HydrophobicContact CG-CB 3.76Å; M34-L45 HydrophobicContact CG-CD1 3.73Å; M34-L45 HydrophobicContact CG-CG 4.4Å; M34-L45 HydrophobicContact SD-CB 3.9Å; M34-N46 HydrophobicContact CE-CB 4.17Å; M34-N46 VanDerWaalsContact CE-CG 3.44Å; M34-N46 WeakPolarHBondContact CE-OD1 3.2Å
35	Q	91.4	Very high	91.4	Very high	121 Å²	121	69.7 Å²	69.7	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-69.9	-27.3	176.2	-64.4	-63	-4.4	0	0	113.1	E31 Q32 L33 R42	E31-Q35 PolarHBondContact O-N 3.11Å; Q32-Q35 PolarHBondContact O-N 3.2Å; Q32-Q35 VanDerWaalsContact O-N 3.09Å; L33-Q35 VanDerWaalsContact C-N 3.33Å; L33-Q35 PolarHBondContact O-N 3.04Å; Q35-R42 PolarHBondContact O-NH2 3.49Å
36	L	91.4	Very high	91.5	Very high	38 Å²	38	74.9 Å²	74.9	20%	0.199	37%	0.365	C	S	.	.	H	α-helix	trans	-78.2	-32.4	174.5	-64.5	175	0	0	0	112.3	Y17 R18 V20 L25 M28 Q32 L33 M34	Y17-L36 HydrophobicContact CE1-CB 4.33Å; R18-L36 WeakPolarHBondContact CD-O 3.44Å; R18-L36 PolarHBondContact NE-O 3.26Å; V20-L36 HydrophobicContact CG2-CD1 4Å; V20-L36 HydrophobicContact CG2-CD2 4.35Å; L25-L36 HydrophobicContact CD2-CD1 3.94Å; M28-L36 HydrophobicContact CE-CD1 4.16Å; M28-L36 HydrophobicContact SD-CD1 3.57Å; M28-L36 VanDerWaalsContact SD-CD1 3.57Å; Q32-L36 PolarHBondContact O-N 2.99Å; L33-L36 PolarHBondContact O-N 3.22Å; M34-L36 VanDerWaalsContact C-N 3.31Å
37	Y	91.5	Very high	91.4	Very high	3 Å²	3	80.3 Å²	80.3	1%	0.012	38%	0.381	C	S	.	.	S	Bend	trans	-70.7	154.7	179.4	-79.5	-10	0	0	0	114.5	Y17 L33 M34 Q41 R42 L45 V84 I85 L86 P87	Y17-Y37 AromaticContact CE1-CD1 3.81Å; Y17-Y37 HydrophobicContact CE1-CD1 3.81Å; Y17-Y37 HydrophobicContact CE1-CE1 4.08Å; Y17-Y37 AromaticContact CZ-CD1 3.87Å; Y17-Y37 WeakPolarHBondContact OH-CD1 3.28Å; L33-Y37 HydrophobicContact CD2-CD2 3.56Å; L33-Y37 HydrophobicContact CD2-CE1 4.21Å; L33-Y37 HydrophobicContact CD2-CE2 3.16Å; L33-Y37 HydrophobicContact CD2-CG 4.24Å; L33-Y37 HydrophobicContact CG-CE2 4.34Å; L33-Y37 PolarHBondContact O-N 3.23Å; M34-Y37 PolarHBondContact O-N 3.09Å; Y37-Q41 HydrophobicContact CD2-CB 4.08Å; Y37-Q41 HydrophobicContact CG-CB 4.32Å; Y37-R42 PolarHBondContact O-NH2 2.95Å; Y37-L45 HydrophobicContact CD2-CD1 3.83Å; Y37-L45 HydrophobicContact CE2-CD1 4.09Å; Y37-V84 HydrophobicContact CE2-CG1 4.12Å; Y37-I85 PolarHBondContact OH-O 2.95Å; Y37-L86 HydrophobicContact CE2-CD2 4.19Å; Y37-P87 WeakPolarHBondContact OH-CD 3.49Å
38	C	93.3	Very high	91.3	Very high	56 Å²	56	75.4 Å²	75.4	38%	0.378	37%	0.365	S	S	.	.			trans	-61	157.5	172.8	-64.7	0	0	0	0	111.6	R18 R40 Q41 R42	R18-C38 PolarHBondContact NH2-SG 3.34Å; C38-R40 VanDerWaalsContact C-N 3.28Å; C38-R40 PolarHBondContact O-N 2.73Å; C38-R40 VanDerWaalsContact O-N 3.14Å; C38-Q41 VanDerWaalsContact CB-OE1 3.27Å; C38-Q41 PolarHBondContact O-N 3.13Å; C38-Q41 PolarHBondContact O-OE1 3.03Å; C38-R42 WeakPolarHBondContact O-CB 3.37Å; C38-R42 PolarHBondContact O-N 3.26Å
39	A	93.9	Very high	91.2	Very high	78 Å²	78	75.2 Å²	75.2	65%	0.645	36%	0.364	S	S	*	.	H	α-helix	trans	-55.4	-37.2	-171.6	0	0	0	0	0	114.2	R43	A39-R43 VanDerWaalsContact O-CB 3.28Å; A39-R43 WeakPolarHBondContact O-CB 3.47Å; A39-R43 PolarHBondContact O-N 3.39Å
40	R	93.9	Very high	91.2	Very high	176 Å²	176	81.7 Å²	81.7	66%	0.664	38%	0.38	S	S	*	.	H	α-helix	trans	-64.4	-48.7	-179.7	-177.2	-172.2	-75	-169.8	-1.2	111.6	C38 R43 R44 Y115	C38-R40 VanDerWaalsContact C-N 3.28Å; C38-R40 PolarHBondContact O-N 2.73Å; C38-R40 VanDerWaalsContact O-N 3.14Å; R40-R43 PolarHBondContact O-N 3.21Å; R40-R44 PolarHBondContact O-N 3.01Å; R40-R44 VanDerWaalsContact O-N 3.12Å; R40-Y115 HydrophobicContact CG-CE2 4.22Å
41	Q	93.6	Very high	91.5	Very high	20 Å²	20	87.9 Å²	87.9	9%	0.093	40%	0.403	C	S	.	.	H	α-helix	trans	-67.2	-46.5	179.5	-68.1	75.5	2.1	0	0	109.9	Y37 C38 R43 R44 L45 V84 G113 Y115	Y37-Q41 HydrophobicContact CD2-CB 4.08Å; Y37-Q41 HydrophobicContact CG-CB 4.32Å; C38-Q41 VanDerWaalsContact CB-OE1 3.27Å; C38-Q41 PolarHBondContact O-N 3.13Å; C38-Q41 PolarHBondContact O-OE1 3.03Å; Q41-R43 VanDerWaalsContact C-N 3.35Å; Q41-R43 PolarHBondContact O-N 3.46Å; Q41-R44 WeakPolarHBondContact O-CB 3.34Å; Q41-R44 PolarHBondContact O-N 2.99Å; Q41-R44 VanDerWaalsContact O-N 3.08Å; Q41-L45 WeakPolarHBondContact O-CG 3.39Å; Q41-L45 PolarHBondContact O-N 3.2Å; Q41-V84 HydrophobicContact CB-CG1 4.28Å; Q41-V84 HydrophobicContact CB-CG2 4.36Å; Q41-V84 HydrophobicContact CG-CG1 3.84Å; Q41-V84 HydrophobicContact CG-CG2 3.99Å; Q41-G113 WeakPolarHBondContact CG-O 3.36Å; Q41-G113 PolarHBondContact NE2-O 2.94Å; Q41-Y115 HydrophobicContact CG-CE2 4.34Å
42	R	93.6	Very high	91.7	Very high	75 Å²	75	88.1 Å²	88.1	28%	0.283	40%	0.401	S	S	.	.	H	α-helix	trans	-54.5	-48.5	175	-172	-177.4	-51.3	178.9	9.5	111.8	M34 Q35 Y37 C38 R44 L45 N46	M34-R42 HydrophobicContact CB-CG 4.27Å; M34-R42 WeakPolarHBondContact O-CD 3.3Å; M34-R42 WeakPolarHBondContact O-CG 3.02Å; M34-R42 PolarHBondContact O-NE 3.12Å; Q35-R42 PolarHBondContact O-NH2 3.49Å; Y37-R42 PolarHBondContact O-NH2 2.95Å; C38-R42 WeakPolarHBondContact O-CB 3.37Å; C38-R42 PolarHBondContact O-N 3.26Å; R42-R44 VanDerWaalsContact C-N 3.31Å; R42-R44 PolarHBondContact O-N 3.26Å; R42-L45 PolarHBondContact O-N 3.16Å; R42-N46 WeakPolarHBondContact O-CB 3.39Å; R42-N46 PolarHBondContact O-N 3.39Å
43	R	93.2	Very high	91.7	Very high	155 Å²	155	83.3 Å²	83.3	59%	0.585	38%	0.379	S	S	*	.	H	α-helix	trans	-59.8	-39.8	176.8	-176.8	178.6	-179.4	176.8	3.1	112.3	A39 R40 Q41 R47	A39-R43 VanDerWaalsContact O-CB 3.28Å; A39-R43 WeakPolarHBondContact O-CB 3.47Å; A39-R43 PolarHBondContact O-N 3.39Å; R40-R43 PolarHBondContact O-N 3.21Å; Q41-R43 VanDerWaalsContact C-N 3.35Å; Q41-R43 PolarHBondContact O-N 3.46Å; R43-R47 WeakPolarHBondContact O-CG 3.14Å; R43-R47 PolarHBondContact O-N 2.88Å
44	R	92	Very high	91.9	Very high	39 Å²	39	88.2 Å²	88.2	15%	0.147	40%	0.401	C	S	.	.	H	α-helix	trans	-66.1	-42.7	176.8	-177	175.2	-178	-93.1	-2.5	111.6	R40 Q41 R42 R47 G48 H53 D82 V84	R40-R44 PolarHBondContact O-N 3.01Å; R40-R44 VanDerWaalsContact O-N 3.12Å; Q41-R44 WeakPolarHBondContact O-CB 3.34Å; Q41-R44 PolarHBondContact O-N 2.99Å; Q41-R44 VanDerWaalsContact O-N 3.08Å; R42-R44 VanDerWaalsContact C-N 3.31Å; R42-R44 PolarHBondContact O-N 3.26Å; R44-R47 PolarHBondContact O-N 3.04Å; R44-G48 PolarHBondContact O-N 3.06Å; R44-H53 PolarHBondContact NH2-CD2 3.32Å; R44-H53 PolarHBondContact NH2-CE1 2.78Å; R44-H53 PolarHBondContact NH2-NE2 3.13Å; R44-D82 IonicContact CZ-OD2 2.88Å; R44-D82 PolarHBondContact NE-O 2.73Å; R44-D82 IonicContact NE-OD2 2.72Å; R44-D82 PolarHBondContact NH1-O 3.11Å; R44-D82 PolarHBondContact NH2-O 2.95Å; R44-D82 IonicContact NH2-OD2 2.94Å; R44-D82 PolarHBondContact NH2-OD2 3.18Å; R44-V84 VanDerWaalsContact NH1-N 3.19Å
45	L	90.7	Very high	92.2	Very high	9 Å²	9	89.9 Å²	89.9	5%	0.047	42%	0.415	C	S	.	.	H	α-helix	trans	-69.1	-39.8	178.8	-65.5	-172.4	0	0	0	112.3	Y30 L33 M34 Y37 Q41 R42 R47 G48 L49	Y30-L45 HydrophobicContact CE1-CB 4.08Å; Y30-L45 HydrophobicContact CE1-CD1 3.99Å; Y30-L45 HydrophobicContact CE1-CD2 4Å; Y30-L45 HydrophobicContact CE1-CG 4.23Å; Y30-L45 WeakPolarHBondContact OH-CD2 3.38Å; L33-L45 HydrophobicContact CD2-CD1 4.26Å; M34-L45 HydrophobicContact CE-CB 4.2Å; M34-L45 HydrophobicContact CG-CB 3.76Å; M34-L45 HydrophobicContact CG-CD1 3.73Å; M34-L45 HydrophobicContact CG-CG 4.4Å; M34-L45 HydrophobicContact SD-CB 3.9Å; Y37-L45 HydrophobicContact CD2-CD1 3.83Å; Y37-L45 HydrophobicContact CE2-CD1 4.09Å; Q41-L45 WeakPolarHBondContact O-CG 3.39Å; Q41-L45 PolarHBondContact O-N 3.2Å; R42-L45 PolarHBondContact O-N 3.16Å; L45-R47 PolarHBondContact O-N 2.89Å; L45-G48 WeakPolarHBondContact O-CA 3.49Å; L45-G48 PolarHBondContact O-N 3.31Å; L45-L49 HydrophobicContact CD2-CD2 4.11Å; L45-L49 HydrophobicContact CD2-CG 4.36Å
46	N	91.6	Very high	92.3	Very high	114 Å²	114	84.4 Å²	84.4	61%	0.61	39%	0.39	S	S	*	.	H	α-helix	trans	-57.5	-35.9	172.7	-89.6	-28.9	0	0	0	112.7	M34 R42 G48	M34-N46 HydrophobicContact CE-CB 4.17Å; M34-N46 VanDerWaalsContact CE-CG 3.44Å; M34-N46 WeakPolarHBondContact CE-OD1 3.2Å; R42-N46 WeakPolarHBondContact O-CB 3.39Å; R42-N46 PolarHBondContact O-N 3.39Å; N46-G48 PolarHBondContact O-N 2.92Å
47	R	90.5	Very high	92.4	Very high	184 Å²	184	83.6 Å²	83.6	69%	0.694	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-11	175.8	-72	174.2	171.1	-169.2	-8.7	113.3	R43 R44 L45	R43-R47 WeakPolarHBondContact O-CG 3.14Å; R43-R47 PolarHBondContact O-N 2.88Å; R44-R47 PolarHBondContact O-N 3.04Å; L45-R47 PolarHBondContact O-N 2.89Å
48	G	87.8	Confident	92.6	Very high	42 Å²	42	91.1 Å²	91.1	43%	0.433	42%	0.419	S	S	.	.			trans	87	148.6	-178.3	0	0	0	0	0	114.2	R44 L45 N46	R44-G48 PolarHBondContact O-N 3.06Å; L45-G48 WeakPolarHBondContact O-CA 3.49Å; L45-G48 PolarHBondContact O-N 3.31Å; N46-G48 PolarHBondContact O-N 2.92Å
49	L	88.3	Confident	92.7	Very high	32 Å²	32	96.4 Å²	96.4	17%	0.168	43%	0.43	C	S	.	.			trans	-79.8	132.9	171.4	-70.1	179.5	0	0	0	110.1	Y30 L45 H53 Q54 M83	Y30-L49 VanDerWaalsContact OH-CD1 3.28Å; Y30-L49 WeakPolarHBondContact OH-CD1 3.49Å; L45-L49 HydrophobicContact CD2-CD2 4.11Å; L45-L49 HydrophobicContact CD2-CG 4.36Å; L49-H53 HydrophobicContact CB-CB 4.09Å; L49-H53 HydrophobicContact CD2-CB 4.04Å; L49-H53 HydrophobicContact CG-CB 4.48Å; L49-Q54 HydrophobicContact CB-CG 4.34Å; L49-Q54 PolarHBondContact O-NE2 2.73Å; L49-M83 HydrophobicContact CD1-CE 4.21Å; L49-M83 HydrophobicContact CD2-CE 4.35Å; L49-M83 HydrophobicContact CD2-SD 4.07Å
50	R	91.7	Very high	92.7	Very high	194 Å²	194	92.9 Å²	92.9	73%	0.732	40%	0.401	S	S	*	.			trans	-70.4	162	174.4	-61	-175.2	169.7	-170.4	-3.3	110.5	K52 H53 Q54	R50-K52 PolarHBondContact O-N 2.72Å; R50-K52 VanDerWaalsContact O-N 3.07Å; R50-H53 PolarHBondContact N-ND1 3.06Å; R50-H53 WeakPolarHBondContact O-CB 3.32Å; R50-H53 PolarHBondContact O-N 3.33Å; R50-Q54 PolarHBondContact O-N 2.78Å
51	R	92.9	Very high	92.6	Very high	219 Å²	219	91 Å²	91	83%	0.826	39%	0.394	S	S	*	.	H	α-helix	trans	-50.1	-36.8	176.4	-173.3	178.8	175.9	-171.4	-0.6	113.6	H53 Q54 S55	R51-H53 VanDerWaalsContact C-N 3.35Å; R51-H53 PolarHBondContact O-N 2.92Å; R51-Q54 PolarHBondContact O-N 2.87Å; R51-S55 PolarHBondContact O-N 3.03Å; R51-S55 PolarHBondContact O-OG 3.33Å
52	K	93.1	Very high	92.7	Very high	151 Å²	151	96 Å²	96	66%	0.657	42%	0.415	S	S	*	.	H	α-helix	trans	-64.8	-36	177.8	-62	-175.1	-179.2	-177	0	112.7	R50 S55 L56 L80	R50-K52 PolarHBondContact O-N 2.72Å; R50-K52 VanDerWaalsContact O-N 3.07Å; K52-S55 PolarHBondContact O-OG 2.9Å; K52-L56 PolarHBondContact O-N 3.08Å; K52-L80 HydrophobicContact CB-CD1 4.15Å; K52-L80 HydrophobicContact CB-CD2 4.38Å; K52-L80 VanDerWaalsContact O-CD1 3.29Å; K52-L80 WeakPolarHBondContact O-CD1 3.41Å
53	H	92.9	Very high	92.7	Very high	9 Å²	9	93 Å²	93	4%	0.042	41%	0.406	C	S	.	.	H	α-helix	trans	-73.5	-39.5	177.4	-59.6	99.3	0	0	0	111.2	R44 L49 R50 R51 L56 L57 D82 M83	R44-H53 PolarHBondContact NH2-CD2 3.32Å; R44-H53 PolarHBondContact NH2-CE1 2.78Å; R44-H53 PolarHBondContact NH2-NE2 3.13Å; L49-H53 HydrophobicContact CB-CB 4.09Å; L49-H53 HydrophobicContact CD2-CB 4.04Å; L49-H53 HydrophobicContact CG-CB 4.48Å; R50-H53 PolarHBondContact N-ND1 3.06Å; R50-H53 WeakPolarHBondContact O-CB 3.32Å; R50-H53 PolarHBondContact O-N 3.33Å; R51-H53 VanDerWaalsContact C-N 3.35Å; R51-H53 PolarHBondContact O-N 2.92Å; H53-L56 PolarHBondContact O-N 3.4Å; H53-L57 PolarHBondContact O-N 2.77Å; H53-L57 VanDerWaalsContact O-N 3.11Å; H53-D82 IonicContact CE1-OD2 3.28Å; H53-D82 PolarHBondContact CE1-OD2 3.09Å; H53-D82 VanDerWaalsContact CE1-OD2 3.28Å; H53-D82 VanDerWaalsContact NE2-CG 3.34Å; H53-D82 IonicContact NE2-OD1 3.1Å; H53-D82 PolarHBondContact NE2-OD1 3.43Å; H53-D82 VanDerWaalsContact NE2-OD1 3.1Å; H53-D82 IonicContact NE2-OD2 2.83Å; H53-D82 PolarHBondContact NE2-OD2 3.37Å; H53-M83 HydrophobicContact CB-SD 3.83Å; H53-M83 VanDerWaalsContact CD2-SD 3.54Å
54	Q	93.4	Very high	92.5	Very high	113 Å²	113	90.1 Å²	90.1	53%	0.528	40%	0.398	S	S	.	.	H	α-helix	trans	-65.1	-39	175.6	-64.5	175.7	-2	0	0	112.2	L49 R50 R51 L56 L57 K58	L49-Q54 HydrophobicContact CB-CG 4.34Å; L49-Q54 PolarHBondContact O-NE2 2.73Å; R50-Q54 PolarHBondContact O-N 2.78Å; R51-Q54 PolarHBondContact O-N 2.87Å; Q54-L56 VanDerWaalsContact C-N 3.33Å; Q54-L56 PolarHBondContact O-N 3.05Å; Q54-L57 PolarHBondContact O-N 3.26Å; Q54-K58 PolarHBondContact O-N 3Å
55	S	95.1	Very high	92.5	Very high	59 Å²	59	97 Å²	97	41%	0.413	43%	0.429	S	S	.	.	H	α-helix	trans	-65.7	-36	177.2	65.6	0	0	0	0	112.5	R51 K52 K58 R59	R51-S55 PolarHBondContact O-N 3.03Å; R51-S55 PolarHBondContact O-OG 3.33Å; K52-S55 PolarHBondContact O-OG 2.9Å; S55-K58 PolarHBondContact O-N 3.32Å; S55-R59 WeakPolarHBondContact O-CG 2.74Å; S55-R59 PolarHBondContact O-N 3.43Å
56	L	94.3	Very high	92.6	Very high	7 Å²	7	102.4 Å²	102.4	4%	0.037	45%	0.454	C	S	.	.	H	α-helix	trans	-62.1	-47.9	171.8	178.5	63.5	0	0	0	111.1	K52 H53 Q54 K58 R59 L60 V76 T78 L80 M83 L116	K52-L56 PolarHBondContact O-N 3.08Å; H53-L56 PolarHBondContact O-N 3.4Å; Q54-L56 VanDerWaalsContact C-N 3.33Å; Q54-L56 PolarHBondContact O-N 3.05Å; L56-K58 VanDerWaalsContact C-N 3.32Å; L56-K58 PolarHBondContact O-N 3.21Å; L56-R59 PolarHBondContact O-N 3.44Å; L56-L60 HydrophobicContact CD1-CD1 4.23Å; L56-L60 HydrophobicContact CD1-CG 4.38Å; L56-L60 HydrophobicContact CG-CD1 4.03Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.31Å; L56-V76 HydrophobicContact CD1-CG1 3.98Å; L56-T78 HydrophobicContact CD1-CG2 4.41Å; L56-T78 HydrophobicContact CD2-CG2 4.31Å; L56-L80 HydrophobicContact CB-CD1 4.27Å; L56-L80 HydrophobicContact CD2-CB 4.48Å; L56-L80 HydrophobicContact CD2-CD1 4.23Å; L56-M83 HydrophobicContact CD2-CG 4.3Å; L56-L116 HydrophobicContact CD2-CD1 4.34Å
57	L	93.8	Very high	92.4	Very high	20 Å²	20	98.1 Å²	98.1	11%	0.105	44%	0.435	C	S	.	.	H	α-helix	trans	-60.5	-42.5	179.2	-169.4	64.1	0	0	0	111.6	H53 Q54 R59 L60 R61 L86 M89	H53-L57 PolarHBondContact O-N 2.77Å; H53-L57 VanDerWaalsContact O-N 3.11Å; Q54-L57 PolarHBondContact O-N 3.26Å; L57-R59 PolarHBondContact O-N 3.14Å; L57-L60 PolarHBondContact O-N 2.86Å; L57-R61 WeakPolarHBondContact O-CG 3.37Å; L57-R61 PolarHBondContact O-N 3.36Å; L57-L86 HydrophobicContact CD1-CD1 4.45Å; L57-L86 HydrophobicContact CD2-CD1 4.27Å; L57-M89 HydrophobicContact CD1-CG 4.13Å
58	K	95.1	Very high	92.4	Very high	162 Å²	162	92.5 Å²	92.5	70%	0.704	42%	0.422	S	S	*	.	H	α-helix	trans	-61.3	-41.5	175.9	-172.1	174.4	-178.4	176.2	0	112.3	Q54 S55 L56 K62	Q54-K58 PolarHBondContact O-N 3Å; S55-K58 PolarHBondContact O-N 3.32Å; L56-K58 VanDerWaalsContact C-N 3.32Å; L56-K58 PolarHBondContact O-N 3.21Å; K58-K62 PolarHBondContact O-N 3.11Å
59	R	94.8	Very high	92.1	Very high	166 Å²	166	96.6 Å²	96.6	63%	0.626	44%	0.441	S	S	*	.	H	α-helix	trans	-65	-41.1	176.3	-74.6	177.3	178.1	-170.2	-2.1	112	S55 L56 L57 K62 A63 V76	S55-R59 WeakPolarHBondContact O-CG 2.74Å; S55-R59 PolarHBondContact O-N 3.43Å; L56-R59 PolarHBondContact O-N 3.44Å; L57-R59 PolarHBondContact O-N 3.14Å; R59-K62 WeakPolarHBondContact O-CB 3.38Å; R59-K62 PolarHBondContact O-N 2.97Å; R59-A63 PolarHBondContact O-N 3.18Å; R59-V76 HydrophobicContact CB-CG1 4.17Å
60	L	93.6	Very high	91.9	Very high	5 Å²	5	104.7 Å²	104.7	3%	0.026	48%	0.48	C	S	.	.	H	α-helix	trans	-66.6	-42.4	177.3	-69.8	169.1	0	0	0	112.3	L56 L57 K62 A63 K64 V76 M89 V94	L56-L60 HydrophobicContact CD1-CD1 4.23Å; L56-L60 HydrophobicContact CD1-CG 4.38Å; L56-L60 HydrophobicContact CG-CD1 4.03Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.31Å; L57-L60 PolarHBondContact O-N 2.86Å; L60-K62 VanDerWaalsContact C-N 3.28Å; L60-K62 PolarHBondContact O-N 2.81Å; L60-A63 PolarHBondContact O-N 2.88Å; L60-K64 WeakPolarHBondContact O-CB 3.46Å; L60-K64 PolarHBondContact O-N 2.86Å; L60-V76 HydrophobicContact CD2-CB 3.69Å; L60-V76 HydrophobicContact CD2-CG1 4.25Å; L60-V76 HydrophobicContact CD2-CG2 3.76Å; L60-M89 HydrophobicContact CD1-CE 3.31Å; L60-M89 HydrophobicContact CD1-CG 4.14Å; L60-M89 HydrophobicContact CD1-SD 4.36Å; L60-V94 HydrophobicContact CD1-CG2 4.38Å; L60-V94 HydrophobicContact CD2-CG2 3.86Å
61	R	93.5	Very high	91.7	Very high	136 Å²	136	102 Å²	102	51%	0.513	48%	0.476	S	S	.	.	H	α-helix	trans	-59.4	-40.7	173.6	-71.6	178.9	-175.2	179.9	-0.4	111.6	L57 K65 E88	L57-R61 WeakPolarHBondContact O-CG 3.37Å; L57-R61 PolarHBondContact O-N 3.36Å; R61-K65 WeakPolarHBondContact O-CB 3.47Å; R61-K65 PolarHBondContact O-N 3.27Å; R61-K65 VanDerWaalsContact O-N 3.09Å; R61-E88 IonicContact CZ-OE1 3.56Å; R61-E88 IonicContact CZ-OE2 3.59Å; R61-E88 IonicContact NE-OE2 3.85Å; R61-E88 PolarHBondContact NE-OE2 3.3Å; R61-E88 IonicContact NH2-OE1 3.88Å; R61-E88 PolarHBondContact NH2-OE1 2.85Å; R61-E88 IonicContact NH2-OE2 2.78Å; R61-E88 PolarHBondContact NH2-OE2 2.91Å
62	K	94.8	Very high	91.4	Very high	125 Å²	125	97.3 Å²	97.3	54%	0.543	46%	0.462	S	S	.	.	H	α-helix	trans	-63	-52.1	175.2	-174.8	-177.5	172.9	-172.7	0	111.3	K58 R59 L60 K64 K65 E66	K58-K62 PolarHBondContact O-N 3.11Å; R59-K62 WeakPolarHBondContact O-CB 3.38Å; R59-K62 PolarHBondContact O-N 2.97Å; L60-K62 VanDerWaalsContact C-N 3.28Å; L60-K62 PolarHBondContact O-N 2.81Å; K62-K64 VanDerWaalsContact C-N 3.3Å; K62-K64 PolarHBondContact O-N 3.4Å; K62-K65 WeakPolarHBondContact O-CB 3.34Å; K62-K65 PolarHBondContact O-N 3.44Å; K62-E66 WeakPolarHBondContact CE-OE1 3.49Å; K62-E66 WeakPolarHBondContact CE-OE2 3.16Å; K62-E66 HydrophobicContact CG-CG 4.48Å; K62-E66 IonicContact NZ-OE1 3.98Å; K62-E66 PolarHBondContact O-N 3.07Å
63	A	92.9	Very high	91.3	Very high	11 Å²	11	90.8 Å²	90.8	9%	0.091	44%	0.435	C	S	.	.	H	α-helix	trans	-59.8	-39	179.8	0	0	0	0	0	112.6	R59 L60 K65 E66 A67 P73 V76	R59-A63 PolarHBondContact O-N 3.18Å; L60-A63 PolarHBondContact O-N 2.88Å; A63-K65 VanDerWaalsContact C-N 3.34Å; A63-E66 PolarHBondContact O-N 3.49Å; A63-A67 PolarHBondContact O-N 2.94Å; A63-P73 HydrophobicContact CB-CB 4.43Å; A63-P73 WeakPolarHBondContact O-CB 3.5Å; A63-V76 HydrophobicContact CB-CG2 3.84Å
64	K	90.3	Very high	91.3	Very high	96 Å²	96	97.7 Å²	97.7	42%	0.417	47%	0.467	S	S	.	.	H	α-helix	trans	-68.1	-32.3	176.1	-166.7	172.1	179.3	172.2	0	112.8	L60 K62 V90	L60-K64 WeakPolarHBondContact O-CB 3.46Å; L60-K64 PolarHBondContact O-N 2.86Å; K62-K64 VanDerWaalsContact C-N 3.3Å; K62-K64 PolarHBondContact O-N 3.4Å; K64-V90 PolarHBondContact NZ-O 3.41Å
65	K	91.1	Very high	91.3	Very high	183 Å²	183	94.3 Å²	94.3	80%	0.796	45%	0.454	S	S	*	.	H	α-helix	trans	-75.3	-35.3	177	-174.7	-178.5	177.7	-176.7	0	112.6	R61 K62 A63 A67	R61-K65 WeakPolarHBondContact O-CB 3.47Å; R61-K65 PolarHBondContact O-N 3.27Å; R61-K65 VanDerWaalsContact O-N 3.09Å; K62-K65 WeakPolarHBondContact O-CB 3.34Å; K62-K65 PolarHBondContact O-N 3.44Å; A63-K65 VanDerWaalsContact C-N 3.34Å; K65-A67 VanDerWaalsContact C-N 3.34Å
66	E	92.2	Very high	91.3	Very high	122 Å²	122	92.4 Å²	92.4	57%	0.57	44%	0.44	S	S	*	.	H	α-helix	trans	-82	-13.4	-178.7	-70.2	174.7	164.9	0	0	113.1	K62 A63	K62-E66 WeakPolarHBondContact CE-OE1 3.49Å; K62-E66 WeakPolarHBondContact CE-OE2 3.16Å; K62-E66 HydrophobicContact CG-CG 4.48Å; K62-E66 IonicContact NZ-OE1 3.98Å; K62-E66 PolarHBondContact O-N 3.07Å; A63-E66 PolarHBondContact O-N 3.49Å
67	A	89.3	Confident	91.4	Very high	25 Å²	25	98.8 Å²	98.8	21%	0.207	47%	0.467	C	S	.	.	S	Bend	trans	-65.9	136	178.3	0	0	0	0	0	111.7	A63 K65 P73	A63-A67 PolarHBondContact O-N 2.94Å; K65-A67 VanDerWaalsContact C-N 3.34Å; A67-P73 HydrophobicContact CB-CB 3.98Å
68	P	89	Confident	91.5	Very high	66 Å²	66	98.2 Å²	98.2	43%	0.429	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-58.4	148.9	170.8	-21.9	32.2	0	0	0	111.5	M70 E71	P68-M70 PolarHBondContact O-N 3.46Å; P68-E71 HydrophobicContact CB-CB 4.17Å; P68-E71 HydrophobicContact CB-CG 4.28Å; P68-E71 HydrophobicContact CG-CB 4.28Å; P68-E71 HydrophobicContact CG-CG 4.5Å; P68-E71 PolarHBondContact O-N 3.29Å; P68-E71 VanDerWaalsContact O-N 3.13Å
69	P	82.1	Confident	91.6	Very high	128 Å²	128	96.3 Å²	96.3	83%	0.831	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	129	171.6	25.6	-32.1	0	0	0	108.7
70	M	83.7	Confident	91.6	Very high	202 Å²	202	90 Å²	90	100%	0.995	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-7.1	-178.7	-153.7	159.4	166.9	0	0	116.7	P68	P68-M70 PolarHBondContact O-N 3.46Å
71	E	87.3	Confident	91.7	Very high	136 Å²	136	93.8 Å²	93.8	64%	0.636	45%	0.451	S	S	*	.	S	Bend	trans	-99	153.7	171.6	-68.9	-163.1	165.4	0	0	112.8	P68	P68-E71 HydrophobicContact CB-CB 4.17Å; P68-E71 HydrophobicContact CB-CG 4.28Å; P68-E71 HydrophobicContact CG-CB 4.28Å; P68-E71 HydrophobicContact CG-CG 4.5Å; P68-E71 PolarHBondContact O-N 3.29Å; P68-E71 VanDerWaalsContact O-N 3.13Å
72	K	87.3	Confident	91.7	Very high	122 Å²	122	90.9 Å²	90.9	53%	0.53	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-74.9	142.4	175.2	-64.7	-173.6	-174.4	-177	0	109.5	M93 E106	K72-M93 HydrophobicContact CB-CG 4.14Å; K72-M93 HydrophobicContact CD-CG 4.46Å; K72-M93 HydrophobicContact CD-SD 4.07Å; K72-E106 VanDerWaalsContact CE-OE1 3.25Å; K72-E106 WeakPolarHBondContact CE-OE1 3.37Å; K72-E106 IonicContact NZ-OE1 3.91Å; K72-E106 PolarHBondContact NZ-OE1 3.47Å; K72-E106 IonicContact NZ-OE2 2.9Å; K72-E106 PolarHBondContact NZ-OE2 3Å
73	P	91.8	Very high	91.7	Very high	14 Å²	14	85 Å²	85	9%	0.091	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-65.6	158.3	179	27.5	-34.3	0	0	0	112.1	A63 A67 G91	A63-P73 HydrophobicContact CB-CB 4.43Å; A63-P73 WeakPolarHBondContact O-CB 3.5Å; A67-P73 HydrophobicContact CB-CB 3.98Å; P73-G91 WeakPolarHBondContact CD-O 3.44Å; P73-G91 WeakPolarHBondContact CG-O 3.38Å
74	E	91.3	Very high	91.8	Very high	153 Å²	153	84.4 Å²	84.4	72%	0.715	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-56.3	142.4	176.4	-164.5	-169.7	160.4	0	0	111.5	V76	E74-V76 PolarHBondContact O-N 3.26Å; E74-V76 VanDerWaalsContact O-N 3.16Å
75	V	94.4	Very high	92	Very high	42 Å²	42	79.9 Å²	79.9	26%	0.255	40%	0.395	S	S	.	.			trans	-69.5	110.7	-178.3	-176.5	0	0	0	0	110.8	M93 Q104	V75-M93 HydrophobicContact CG2-CB 4.05Å; V75-Q104 HydrophobicContact CG1-CG 4.2Å
76	V	95.3	Very high	92.1	Very high	20 Å²	20	71.3 Å²	71.3	12%	0.121	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117.5	174.4	-178.6	0	0	0	0	110.2	L56 R59 L60 A63 E74 M93 G95	L56-V76 HydrophobicContact CD1-CG1 3.98Å; R59-V76 HydrophobicContact CB-CG1 4.17Å; L60-V76 HydrophobicContact CD2-CB 3.69Å; L60-V76 HydrophobicContact CD2-CG1 4.25Å; L60-V76 HydrophobicContact CD2-CG2 3.76Å; A63-V76 HydrophobicContact CB-CG2 3.84Å; E74-V76 PolarHBondContact O-N 3.26Å; E74-V76 VanDerWaalsContact O-N 3.16Å; V76-M93 PolarHBondContact N-O 3.27Å; V76-M93 VanDerWaalsContact N-O 3.11Å; V76-G95 PolarHBondContact O-N 3.32Å
77	K	96	Very high	92.1	Very high	140 Å²	140	65.7 Å²	65.7	61%	0.609	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	137.6	179.1	-60.9	178.4	-172.6	172.9	0	111.6	G95 F102	K77-G95 CarbonylContact C-O 3.51Å; K77-G95 WeakPolarHBondContact CA-O 3.41Å; K77-F102 HydrophobicContact CB-CD1 3.91Å; K77-F102 HydrophobicContact CB-CE1 3.89Å; K77-F102 HydrophobicContact CB-CG 4.41Å; K77-F102 HydrophobicContact CB-CZ 4.39Å; K77-F102 HydrophobicContact CD-CD2 4.17Å; K77-F102 HydrophobicContact CD-CE2 4.41Å; K77-F102 HydrophobicContact CD-CG 4.25Å; K77-F102 HydrophobicContact CG-CD1 4.25Å; K77-F102 HydrophobicContact CG-CG 4.28Å
78	T	96.1	Very high	92.3	Very high	9 Å²	9	67.8 Å²	67.8	6%	0.055	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	146.1	179.5	-172.7	0	0	0	0	112.9	L56 L80 V94 G95 Y97 L116	L56-T78 HydrophobicContact CD1-CG2 4.41Å; L56-T78 HydrophobicContact CD2-CG2 4.31Å; T78-L80 WeakPolarHBondContact OG1-CB 3.45Å; T78-L80 PolarHBondContact OG1-N 2.99Å; T78-V94 HydrophobicContact CG2-CG1 3.6Å; T78-G95 PolarHBondContact N-O 3.47Å; T78-Y97 PolarHBondContact O-N 3.19Å; T78-L116 HydrophobicContact CG2-CD1 4.16Å
79	H	96.2	Very high	92.5	Very high	122 Å²	122	64.7 Å²	64.7	57%	0.565	32%	0.318	S	S	*	.			trans	-96.5	-5.4	168.7	-64.3	85.9	0	0	0	112.2	R81 Y97 F102	H79-R81 VanDerWaalsContact C-N 3.33Å; H79-R81 PolarHBondContact O-N 3.03Å; H79-Y97 AromaticContact CD2-CD1 3.39Å; H79-Y97 WeakPolarHBondContact CD2-CD1 3.37Å; H79-Y97 AromaticContact CD2-CE1 3.98Å; H79-Y97 AromaticContact CD2-CG 3.49Å; H79-Y97 VanDerWaalsContact CD2-CG 3.49Å; H79-Y97 AromaticContact NE2-CD1 3.92Å; H79-Y97 AromaticContact NE2-CG 3.81Å; H79-F102 AromaticContact CE1-CE1 3.98Å; H79-F102 AromaticContact CE1-CZ 3.5Å; H79-F102 AromaticContact NE2-CZ 3.69Å
80	L	95.4	Very high	93	Very high	33 Å²	33	59.4 Å²	59.4	17%	0.173	28%	0.283	C	S	.	.			trans	-79.1	80.7	-176.2	-59.4	176.5	0	0	0	110.6	K52 L56 T78 D82 M83	K52-L80 HydrophobicContact CB-CD1 4.15Å; K52-L80 HydrophobicContact CB-CD2 4.38Å; K52-L80 VanDerWaalsContact O-CD1 3.29Å; K52-L80 WeakPolarHBondContact O-CD1 3.41Å; L56-L80 HydrophobicContact CB-CD1 4.27Å; L56-L80 HydrophobicContact CD2-CB 4.48Å; L56-L80 HydrophobicContact CD2-CD1 4.23Å; T78-L80 WeakPolarHBondContact OG1-CB 3.45Å; T78-L80 PolarHBondContact OG1-N 2.99Å; L80-D82 PolarHBondContact O-N 3.14Å; L80-M83 HydrophobicContact CB-CB 4.44Å
81	R	95.2	Very high	93.3	Very high	85 Å²	85	51.5 Å²	51.5	32%	0.321	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-18.5	174.6	-61.2	-178.6	76.7	-151.6	-1.9	112.9	H79 M83 V96 Y97 G117 S120	H79-R81 VanDerWaalsContact C-N 3.33Å; H79-R81 PolarHBondContact O-N 3.03Å; R81-M83 VanDerWaalsContact C-N 3.29Å; R81-V96 HydrophobicContact CG-CG1 3.98Å; R81-Y97 WeakPolarHBondContact CD-O 3.37Å; R81-G117 PolarHBondContact NH2-O 2.94Å; R81-G117 WeakPolarHBondContact O-CA 3.36Å; R81-G117 PolarHBondContact O-N 3.28Å; R81-S120 PolarHBondContact NH2-O 2.89Å
82	D	94.3	Very high	93.6	Very high	74 Å²	74	45.2 Å²	45.2	40%	0.396	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-2	-179.9	76.3	-53.8	0	0	0	113.2	R44 H53 L80 Y115	R44-D82 IonicContact CZ-OD2 2.88Å; R44-D82 PolarHBondContact NE-O 2.73Å; R44-D82 IonicContact NE-OD2 2.72Å; R44-D82 PolarHBondContact NH1-O 3.11Å; R44-D82 PolarHBondContact NH2-O 2.95Å; R44-D82 IonicContact NH2-OD2 2.94Å; R44-D82 PolarHBondContact NH2-OD2 3.18Å; H53-D82 IonicContact CE1-OD2 3.28Å; H53-D82 PolarHBondContact CE1-OD2 3.09Å; H53-D82 VanDerWaalsContact CE1-OD2 3.28Å; H53-D82 VanDerWaalsContact NE2-CG 3.34Å; H53-D82 IonicContact NE2-OD1 3.1Å; H53-D82 PolarHBondContact NE2-OD1 3.43Å; H53-D82 VanDerWaalsContact NE2-OD1 3.1Å; H53-D82 IonicContact NE2-OD2 2.83Å; H53-D82 PolarHBondContact NE2-OD2 3.37Å; L80-D82 PolarHBondContact O-N 3.14Å; D82-Y115 WeakPolarHBondContact O-CD1 3.18Å; D82-Y115 WeakPolarHBondContact O-CE1 3.11Å
83	M	94.5	Very high	94	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.204	C	C	.	.			trans	-74.3	131.8	179.7	-173.8	59	179.7	0	0	111.6	L49 H53 L56 L80 R81 L86 Y115 L116	L49-M83 HydrophobicContact CD1-CE 4.21Å; L49-M83 HydrophobicContact CD2-CE 4.35Å; L49-M83 HydrophobicContact CD2-SD 4.07Å; H53-M83 HydrophobicContact CB-SD 3.83Å; H53-M83 VanDerWaalsContact CD2-SD 3.54Å; L56-M83 HydrophobicContact CD2-CG 4.3Å; L80-M83 HydrophobicContact CB-CB 4.44Å; R81-M83 VanDerWaalsContact C-N 3.29Å; M83-L86 HydrophobicContact CE-CD1 4.1Å; M83-L86 HydrophobicContact CE-CG 4.49Å; M83-Y115 WeakPolarHBondContact O-CA 3.2Å; M83-L116 HydrophobicContact CB-CD1 3.95Å; M83-L116 HydrophobicContact CB-CG 4.37Å; M83-L116 HydrophobicContact CG-CD1 4.39Å; M83-L116 PolarHBondContact O-N 2.83Å
84	V	94.7	Very high	94.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-77.2	134.6	170.7	179.6	0	0	0	0	108.6	Y37 Q41 R44 L86 Y115	Y37-V84 HydrophobicContact CE2-CG1 4.12Å; Q41-V84 HydrophobicContact CB-CG1 4.28Å; Q41-V84 HydrophobicContact CB-CG2 4.36Å; Q41-V84 HydrophobicContact CG-CG1 3.84Å; Q41-V84 HydrophobicContact CG-CG2 3.99Å; R44-V84 VanDerWaalsContact NH1-N 3.19Å; V84-L86 PolarHBondContact O-N 3.48Å; V84-Y115 HydrophobicContact CG2-CD1 3.86Å; V84-Y115 HydrophobicContact CG2-CE1 3.32Å; V84-Y115 HydrophobicContact CG2-CE2 4.4Å
85	I	94.9	Very high	94.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.			trans	-71.9	112.9	174.5	-62.9	174.1	0	0	0	108.6	Y37 I107 M111 G113 H114 L116 F119	Y37-I85 PolarHBondContact OH-O 2.95Å; I85-I107 HydrophobicContact CG2-CD1 4.49Å; I85-I107 HydrophobicContact CG2-CG2 3.59Å; I85-M111 HydrophobicContact CD1-CB 3.83Å; I85-G113 PolarHBondContact O-N 2.99Å; I85-G113 VanDerWaalsContact O-N 3.08Å; I85-H114 WeakPolarHBondContact CG1-O 3.42Å; I85-H114 PolarHBondContact N-O 2.93Å; I85-L116 HydrophobicContact CD1-CD2 4.02Å; I85-L116 HydrophobicContact CG1-CD2 3.73Å; I85-L116 HydrophobicContact CG1-CG 4.22Å; I85-F119 HydrophobicContact CD1-CD2 3.92Å; I85-F119 HydrophobicContact CD1-CE2 3.41Å; I85-F119 VanDerWaalsContact CD1-CE2 3.41Å; I85-F119 HydrophobicContact CD1-CZ 4.3Å
86	L	92.9	Very high	94.6	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.016	15%	0.154	C	C	.	.			trans	-87.1	154.7	173.1	-64.5	173.6	0	0	0	110.2	Y30 L33 Y37 L57 M83 V84 E88 M89	Y30-L86 HydrophobicContact CE2-CD1 4.23Å; Y30-L86 HydrophobicContact CE2-CD2 4.26Å; L33-L86 HydrophobicContact CD2-CD2 4.37Å; Y37-L86 HydrophobicContact CE2-CD2 4.19Å; L57-L86 HydrophobicContact CD1-CD1 4.45Å; L57-L86 HydrophobicContact CD2-CD1 4.27Å; M83-L86 HydrophobicContact CE-CD1 4.1Å; M83-L86 HydrophobicContact CE-CG 4.49Å; V84-L86 PolarHBondContact O-N 3.48Å; L86-E88 PolarHBondContact O-N 3.08Å; L86-M89 HydrophobicContact CB-CG 4.44Å; L86-M89 HydrophobicContact CB-SD 4.46Å; L86-M89 WeakPolarHBondContact O-CB 3.13Å; L86-M89 PolarHBondContact O-N 2.91Å
87	P	93.2	Very high	94.7	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.026	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-60	-32.3	-179	-21.5	35.8	0	0	0	112.2	L25 L26 L33 Y37 M89 V90	L25-P87 HydrophobicContact CB-CB 4.17Å; L25-P87 HydrophobicContact CB-CG 4.23Å; L26-P87 HydrophobicContact CD2-CB 4.12Å; L26-P87 WeakPolarHBondContact CD2-O 3.24Å; L33-P87 HydrophobicContact CD1-CG 3.71Å; Y37-P87 WeakPolarHBondContact OH-CD 3.49Å; P87-M89 PolarHBondContact O-N 3.21Å; P87-M89 VanDerWaalsContact O-N 3.11Å; P87-V90 VanDerWaalsContact O-CB 3.28Å; P87-V90 WeakPolarHBondContact O-CB 3.37Å; P87-V90 WeakPolarHBondContact O-CG2 3.12Å; P87-V90 PolarHBondContact O-N 2.84Å
88	E	92.4	Very high	94.6	Very high	69 Å²	69	27.2 Å²	27.2	32%	0.322	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-56.3	-29.4	175.3	-61	-176.4	-170.1	0	0	113.7	R61 L86 V90	R61-E88 IonicContact CZ-OE1 3.56Å; R61-E88 IonicContact CZ-OE2 3.59Å; R61-E88 IonicContact NE-OE2 3.85Å; R61-E88 PolarHBondContact NE-OE2 3.3Å; R61-E88 IonicContact NH2-OE1 3.88Å; R61-E88 PolarHBondContact NH2-OE1 2.85Å; R61-E88 IonicContact NH2-OE2 2.78Å; R61-E88 PolarHBondContact NH2-OE2 2.91Å; L86-E88 PolarHBondContact O-N 3.08Å; E88-V90 VanDerWaalsContact C-N 3.27Å; E88-V90 PolarHBondContact O-N 2.99Å
89	M	93.1	Very high	94.6	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-79.5	-10.1	-177.6	-59	174.7	72.8	0	0	112.5	L57 L60 L86 P87 G91 S92 V94 I107 L116	L57-M89 HydrophobicContact CD1-CG 4.13Å; L60-M89 HydrophobicContact CD1-CE 3.31Å; L60-M89 HydrophobicContact CD1-CG 4.14Å; L60-M89 HydrophobicContact CD1-SD 4.36Å; L86-M89 HydrophobicContact CB-CG 4.44Å; L86-M89 HydrophobicContact CB-SD 4.46Å; L86-M89 WeakPolarHBondContact O-CB 3.13Å; L86-M89 PolarHBondContact O-N 2.91Å; P87-M89 PolarHBondContact O-N 3.21Å; P87-M89 VanDerWaalsContact O-N 3.11Å; M89-G91 PolarHBondContact O-N 2.82Å; M89-S92 WeakPolarHBondContact O-CB 3.43Å; M89-S92 PolarHBondContact O-N 3.11Å; M89-S92 PolarHBondContact O-OG 3.37Å; M89-S92 VanDerWaalsContact O-OG 3.06Å; M89-V94 HydrophobicContact CE-CG2 4.44Å; M89-I107 HydrophobicContact CB-CD1 3.68Å; M89-I107 HydrophobicContact CE-CD1 3.85Å; M89-I107 WeakPolarHBondContact O-CB 3.2Å; M89-L116 HydrophobicContact CE-CD1 4.29Å; M89-L116 HydrophobicContact CE-CD2 4.44Å
90	V	92.6	Very high	94.5	Very high	17 Å²	17	32 Å²	32	10%	0.103	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	132.2	179.1	176.6	0	0	0	0	110.2	L22 K64 P87 E88 S92 I107 P109 C112	L22-V90 HydrophobicContact CD1-CG2 4.3Å; L22-V90 HydrophobicContact CD2-CG1 4.18Å; K64-V90 PolarHBondContact NZ-O 3.41Å; P87-V90 VanDerWaalsContact O-CB 3.28Å; P87-V90 WeakPolarHBondContact O-CB 3.37Å; P87-V90 WeakPolarHBondContact O-CG2 3.12Å; P87-V90 PolarHBondContact O-N 2.84Å; E88-V90 VanDerWaalsContact C-N 3.27Å; E88-V90 PolarHBondContact O-N 2.99Å; V90-S92 VanDerWaalsContact C-N 3.29Å; V90-I107 HydrophobicContact CG2-CG2 4.33Å; V90-P109 HydrophobicContact CG1-CB 4.4Å; V90-P109 HydrophobicContact CG1-CG 3.81Å; V90-C112 VanDerWaalsContact CG2-SG 3.54Å
91	G	90.4	Very high	94.5	Very high	36 Å²	36	33.9 Å²	33.9	37%	0.371	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-2.1	-173.5	0	0	0	0	0	114.9	P73 M89 I107	P73-G91 WeakPolarHBondContact CD-O 3.44Å; P73-G91 WeakPolarHBondContact CG-O 3.38Å; M89-G91 PolarHBondContact O-N 2.82Å; G91-I107 PolarHBondContact N-O 3.44Å
92	S	93.6	Very high	94.6	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.021	19%	0.185	C	C	.	.			trans	-82.1	147.3	173.3	-55.1	0	0	0	0	112	M89 V90 I107	M89-S92 WeakPolarHBondContact O-CB 3.43Å; M89-S92 PolarHBondContact O-N 3.11Å; M89-S92 PolarHBondContact O-OG 3.37Å; M89-S92 VanDerWaalsContact O-OG 3.06Å; V90-S92 VanDerWaalsContact C-N 3.29Å; S92-I107 PolarHBondContact O-N 2.88Å; S92-I107 VanDerWaalsContact O-N 3.13Å
93	M	94.8	Very high	94.7	Very high	24 Å²	24	32.7 Å²	32.7	12%	0.118	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.3	170	-66.7	-62.8	-68.8	0	0	110.1	K72 V75 V76 Q104 E106	K72-M93 HydrophobicContact CB-CG 4.14Å; K72-M93 HydrophobicContact CD-CG 4.46Å; K72-M93 HydrophobicContact CD-SD 4.07Å; V75-M93 HydrophobicContact CG2-CB 4.05Å; V76-M93 PolarHBondContact N-O 3.27Å; V76-M93 VanDerWaalsContact N-O 3.11Å; M93-Q104 HydrophobicContact CE-CB 4.47Å; M93-E106 HydrophobicContact CE-CB 4.36Å; M93-E106 HydrophobicContact SD-CB 3.59Å; M93-E106 VanDerWaalsContact SD-CB 3.59Å; M93-E106 HydrophobicContact SD-CG 3.84Å
94	V	96	Very high	94.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.1	-177.5	-174.1	0	0	0	0	110.6	L60 T78 M89 V96 V105 I107 L116	L60-V94 HydrophobicContact CD1-CG2 4.38Å; L60-V94 HydrophobicContact CD2-CG2 3.86Å; T78-V94 HydrophobicContact CG2-CG1 3.6Å; M89-V94 HydrophobicContact CE-CG2 4.44Å; V94-V96 HydrophobicContact CG1-CG2 3.91Å; V94-V96 PolarHBondContact O-N 3.36Å; V94-V105 PolarHBondContact N-O 2.8Å; V94-V105 PolarHBondContact O-N 3.19Å; V94-I107 HydrophobicContact CB-CD1 4.47Å; V94-I107 HydrophobicContact CG2-CD1 3.53Å; V94-I107 HydrophobicContact CG2-CG1 4.17Å; V94-L116 HydrophobicContact CG1-CD1 4.15Å; V94-L116 HydrophobicContact CG1-CD2 4.43Å
95	G	96.8	Very high	94.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	100.1	170.4	0	0	0	0	0	110.3	V76 K77 T78 F102 N103	V76-G95 PolarHBondContact O-N 3.32Å; K77-G95 CarbonylContact C-O 3.51Å; K77-G95 WeakPolarHBondContact CA-O 3.41Å; T78-G95 PolarHBondContact N-O 3.47Å; G95-F102 WeakPolarHBondContact O-CD1 2.75Å; G95-N103 CarbonylContact C-O 3.47Å; G95-N103 WeakPolarHBondContact CA-O 3.28Å
96	V	97.6	Very high	94.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.8	-179.8	-176.2	0	0	0	0	110.1	R81 V94 N98 N103 V105 L116 S120	R81-V96 HydrophobicContact CG-CG1 3.98Å; V94-V96 HydrophobicContact CG1-CG2 3.91Å; V94-V96 PolarHBondContact O-N 3.36Å; V96-N98 PolarHBondContact O-N 3.4Å; V96-N103 PolarHBondContact N-O 3.49Å; V96-N103 PolarHBondContact O-N 3.12Å; V96-V105 HydrophobicContact CB-CG2 4.44Å; V96-V105 HydrophobicContact CG2-CB 4.48Å; V96-V105 HydrophobicContact CG2-CG2 4.05Å; V96-L116 HydrophobicContact CG1-CB 4.45Å; V96-L116 HydrophobicContact CG2-CB 4.04Å; V96-L116 HydrophobicContact CG2-CD1 4.46Å; V96-L116 HydrophobicContact CG2-CD2 4.24Å; V96-L116 HydrophobicContact CG2-CG 4.5Å; V96-S120 PolarHBondContact O-OG 3.07Å; V96-S120 VanDerWaalsContact O-OG 3.11Å
97	Y	97.5	Very high	94.9	Very high	64 Å²	64	43.6 Å²	43.6	25%	0.251	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	126.1	177.8	-165.9	-113.5	0	0	0	111.9	T78 H79 R81 G99 T101 F102	T78-Y97 PolarHBondContact O-N 3.19Å; H79-Y97 AromaticContact CD2-CD1 3.39Å; H79-Y97 WeakPolarHBondContact CD2-CD1 3.37Å; H79-Y97 AromaticContact CD2-CE1 3.98Å; H79-Y97 AromaticContact CD2-CG 3.49Å; H79-Y97 VanDerWaalsContact CD2-CG 3.49Å; H79-Y97 AromaticContact NE2-CD1 3.92Å; H79-Y97 AromaticContact NE2-CG 3.81Å; R81-Y97 WeakPolarHBondContact CD-O 3.37Å; Y97-G99 VanDerWaalsContact CD1-N 3.34Å; Y97-G99 WeakPolarHBondContact CE1-O 3.47Å; Y97-G99 VanDerWaalsContact OH-C 3.23Å; Y97-G99 PolarHBondContact OH-O 3.28Å; Y97-T101 WeakPolarHBondContact CA-O 3.45Å; Y97-F102 HydrophobicContact CD2-CD1 4.02Å; Y97-F102 HydrophobicContact CD2-CD2 4.04Å; Y97-F102 AromaticContact CD2-CE1 3.79Å; Y97-F102 HydrophobicContact CD2-CE1 3.79Å; Y97-F102 AromaticContact CD2-CE2 3.8Å; Y97-F102 HydrophobicContact CD2-CE2 3.8Å; Y97-F102 HydrophobicContact CD2-CG 4.15Å; Y97-F102 AromaticContact CD2-CZ 3.67Å; Y97-F102 HydrophobicContact CD2-CZ 3.67Å; Y97-F102 HydrophobicContact CE2-CE2 4.2Å; Y97-F102 HydrophobicContact CE2-CZ 4.36Å; Y97-F102 HydrophobicContact CG-CD1 4.47Å; Y97-F102 HydrophobicContact CG-CE1 4.13Å; Y97-F102 HydrophobicContact CG-CZ 4.31Å
98	N	95.5	Very high	94.9	Very high	26 Å²	26	48.6 Å²	48.6	14%	0.139	25%	0.254	C	S	.	.			trans	-93.4	-5.5	178.3	70.8	-2.8	0	0	0	114.1	V96 K100 T101 N103 S120 I121 T122	V96-N98 PolarHBondContact O-N 3.4Å; N98-K100 PolarHBondContact OD1-N 2.97Å; N98-T101 PolarHBondContact N-O 3.26Å; N98-T101 PolarHBondContact ND2-OG1 3.47Å; N98-T101 PolarHBondContact OD1-N 3.14Å; N98-T101 PolarHBondContact OD1-O 3.47Å; N98-T101 PolarHBondContact OD1-OG1 3.47Å; N98-N103 PolarHBondContact ND2-OD1 2.92Å; N98-N103 VanDerWaalsContact ND2-OD1 3.09Å; N98-S120 WeakPolarHBondContact CB-OG 3.43Å; N98-I121 WeakPolarHBondContact CB-O 3.27Å; N98-T122 VanDerWaalsContact O-CG2 3.27Å; N98-T122 WeakPolarHBondContact O-CG2 3.49Å
99	G	94.2	Very high	94.9	Very high	54 Å²	54	47.1 Å²	47.1	56%	0.557	25%	0.25	S	S	*	.	S	Bend	trans	117.9	-20.1	-171.5	0	0	0	0	0	113.7	Y97	Y97-G99 VanDerWaalsContact CD1-N 3.34Å; Y97-G99 WeakPolarHBondContact CE1-O 3.47Å; Y97-G99 VanDerWaalsContact OH-C 3.23Å; Y97-G99 PolarHBondContact OH-O 3.28Å
100	K	94.9	Very high	94.8	Very high	178 Å²	178	54 Å²	54	77%	0.774	28%	0.282	S	S	*	.	S	Bend	trans	-134.3	-42.7	178.5	-174.6	179.3	179.7	175.4	0	112.9	N98	N98-K100 PolarHBondContact OD1-N 2.97Å
101	T	96.3	Very high	94.9	Very high	72 Å²	72	54.7 Å²	54.7	44%	0.442	29%	0.285	S	S	.	.	S	Bend	trans	-129.9	159	-175.1	53.3	0	0	0	0	111.1	Y97 N98 N103	Y97-T101 WeakPolarHBondContact CA-O 3.45Å; N98-T101 PolarHBondContact N-O 3.26Å; N98-T101 PolarHBondContact ND2-OG1 3.47Å; N98-T101 PolarHBondContact OD1-N 3.14Å; N98-T101 PolarHBondContact OD1-O 3.47Å; N98-T101 PolarHBondContact OD1-OG1 3.47Å; T101-N103 PolarHBondContact OG1-OD1 3.39Å
102	F	96.8	Very high	95	Very high	74 Å²	74	53.1 Å²	53.1	33%	0.325	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	110.6	169.3	-68.3	-84.9	0	0	0	109.5	K77 H79 G95 Y97	K77-F102 HydrophobicContact CB-CD1 3.91Å; K77-F102 HydrophobicContact CB-CE1 3.89Å; K77-F102 HydrophobicContact CB-CG 4.41Å; K77-F102 HydrophobicContact CB-CZ 4.39Å; K77-F102 HydrophobicContact CD-CD2 4.17Å; K77-F102 HydrophobicContact CD-CE2 4.41Å; K77-F102 HydrophobicContact CD-CG 4.25Å; K77-F102 HydrophobicContact CG-CD1 4.25Å; K77-F102 HydrophobicContact CG-CG 4.28Å; H79-F102 AromaticContact CE1-CE1 3.98Å; H79-F102 AromaticContact CE1-CZ 3.5Å; H79-F102 AromaticContact NE2-CZ 3.69Å; G95-F102 WeakPolarHBondContact O-CD1 2.75Å; Y97-F102 HydrophobicContact CD2-CD1 4.02Å; Y97-F102 HydrophobicContact CD2-CD2 4.04Å; Y97-F102 AromaticContact CD2-CE1 3.79Å; Y97-F102 HydrophobicContact CD2-CE1 3.79Å; Y97-F102 AromaticContact CD2-CE2 3.8Å; Y97-F102 HydrophobicContact CD2-CE2 3.8Å; Y97-F102 HydrophobicContact CD2-CG 4.15Å; Y97-F102 AromaticContact CD2-CZ 3.67Å; Y97-F102 HydrophobicContact CD2-CZ 3.67Å; Y97-F102 HydrophobicContact CE2-CE2 4.2Å; Y97-F102 HydrophobicContact CE2-CZ 4.36Å; Y97-F102 HydrophobicContact CG-CD1 4.47Å; Y97-F102 HydrophobicContact CG-CE1 4.13Å; Y97-F102 HydrophobicContact CG-CZ 4.31Å
103	N	95.3	Very high	94.9	Very high	60 Å²	60	53.2 Å²	53.2	32%	0.321	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	126.3	175.3	-69.8	61.7	0	0	0	108.6	G95 V96 N98 T101 V105	G95-N103 CarbonylContact C-O 3.47Å; G95-N103 WeakPolarHBondContact CA-O 3.28Å; V96-N103 PolarHBondContact N-O 3.49Å; V96-N103 PolarHBondContact O-N 3.12Å; N98-N103 PolarHBondContact ND2-OD1 2.92Å; N98-N103 VanDerWaalsContact ND2-OD1 3.09Å; T101-N103 PolarHBondContact OG1-OD1 3.39Å; N103-V105 PolarHBondContact O-N 3.11Å
104	Q	95.9	Very high	94.9	Very high	139 Å²	139	55.8 Å²	55.8	65%	0.65	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	120	177.9	-63	-175.5	-0.4	0	0	109.5	V75 M93	V75-Q104 HydrophobicContact CG1-CG 4.2Å; M93-Q104 HydrophobicContact CE-CB 4.47Å
105	V	95.3	Very high	94.9	Very high	12 Å²	12	57.3 Å²	57.3	7%	0.073	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.5	178.9	-177.5	0	0	0	0	108.3	V94 V96 N103 F119	V94-V105 PolarHBondContact N-O 2.8Å; V94-V105 PolarHBondContact O-N 3.19Å; V96-V105 HydrophobicContact CB-CG2 4.44Å; V96-V105 HydrophobicContact CG2-CB 4.48Å; V96-V105 HydrophobicContact CG2-CG2 4.05Å; N103-V105 PolarHBondContact O-N 3.11Å; V105-F119 HydrophobicContact CG1-CB 3.81Å; V105-F119 HydrophobicContact CG1-CG 4.22Å; V105-F119 HydrophobicContact CG2-CB 3.99Å
106	E	95	Very high	94.9	Very high	80 Å²	80	57.3 Å²	57.3	37%	0.374	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.2	168.8	-179.1	171.6	-171.4	0	0	109.3	K72 M93 K108	K72-E106 VanDerWaalsContact CE-OE1 3.25Å; K72-E106 WeakPolarHBondContact CE-OE1 3.37Å; K72-E106 IonicContact NZ-OE1 3.91Å; K72-E106 PolarHBondContact NZ-OE1 3.47Å; K72-E106 IonicContact NZ-OE2 2.9Å; K72-E106 PolarHBondContact NZ-OE2 3Å; M93-E106 HydrophobicContact CE-CB 4.36Å; M93-E106 HydrophobicContact SD-CB 3.59Å; M93-E106 VanDerWaalsContact SD-CB 3.59Å; M93-E106 HydrophobicContact SD-CG 3.84Å; E106-K108 PolarHBondContact O-N 3.38Å
107	I	95.1	Very high	94.7	Very high	2 Å²	2	58 Å²	58	1%	0.01	30%	0.295	C	S	.	.			trans	-78.8	109.6	-176.5	-61.4	-178.2	0	0	0	110	I85 M89 V90 G91 S92 V94 L116	I85-I107 HydrophobicContact CG2-CD1 4.49Å; I85-I107 HydrophobicContact CG2-CG2 3.59Å; M89-I107 HydrophobicContact CB-CD1 3.68Å; M89-I107 HydrophobicContact CE-CD1 3.85Å; M89-I107 WeakPolarHBondContact O-CB 3.2Å; V90-I107 HydrophobicContact CG2-CG2 4.33Å; G91-I107 PolarHBondContact N-O 3.44Å; S92-I107 PolarHBondContact O-N 2.88Å; S92-I107 VanDerWaalsContact O-N 3.13Å; V94-I107 HydrophobicContact CB-CD1 4.47Å; V94-I107 HydrophobicContact CG2-CD1 3.53Å; V94-I107 HydrophobicContact CG2-CG1 4.17Å; I107-L116 HydrophobicContact CD1-CD2 4.26Å
108	K	93.4	Very high	94.6	Very high	108 Å²	108	59.6 Å²	59.6	47%	0.47	30%	0.304	S	S	.	.			trans	-87.6	154.4	172.8	-60.6	-175.4	-178.2	-179.1	0	111.2	E106 E110 M111	E106-K108 PolarHBondContact O-N 3.38Å; K108-E110 PolarHBondContact O-N 3.41Å; K108-M111 HydrophobicContact CB-CE 4.23Å; K108-M111 HydrophobicContact CB-CG 4.2Å; K108-M111 HydrophobicContact CB-SD 4.19Å; K108-M111 HydrophobicContact CD-CE 4.17Å; K108-M111 HydrophobicContact CG-CE 4.13Å; K108-M111 WeakPolarHBondContact O-CB 3.43Å; K108-M111 PolarHBondContact O-N 3.36Å
109	P	92.8	Very high	94.6	Very high	38 Å²	38	61.6 Å²	61.6	25%	0.247	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-55.7	-35.9	176.2	-22.7	30.8	0	0	0	113.5	F15 L22 V90 M111 C112	F15-P109 HydrophobicContact CB-CB 4Å; F15-P109 HydrophobicContact CD1-CB 3.39Å; F15-P109 HydrophobicContact CD2-CB 3.95Å; F15-P109 HydrophobicContact CE1-CB 3.75Å; F15-P109 WeakPolarHBondContact CE1-O 3.39Å; F15-P109 HydrophobicContact CE2-CB 4.29Å; F15-P109 HydrophobicContact CG-CB 3.48Å; F15-P109 VanDerWaalsContact CG-CB 3.48Å; F15-P109 VanDerWaalsContact CZ-C 3.47Å; F15-P109 HydrophobicContact CZ-CB 4.18Å; F15-P109 WeakPolarHBondContact CZ-O 3.47Å; L22-P109 HydrophobicContact CD1-CB 4.48Å; L22-P109 HydrophobicContact CD2-CB 4.33Å; L22-P109 HydrophobicContact CD2-CG 4.07Å; V90-P109 HydrophobicContact CG1-CB 4.4Å; V90-P109 HydrophobicContact CG1-CG 3.81Å; P109-M111 PolarHBondContact O-N 2.79Å; P109-M111 VanDerWaalsContact O-N 3.11Å; P109-C112 VanDerWaalsContact O-CB 3.3Å; P109-C112 WeakPolarHBondContact O-CB 3.28Å; P109-C112 PolarHBondContact O-N 2.98Å; P109-C112 VanDerWaalsContact O-N 3.12Å; P109-C112 PolarHBondContact O-SG 3.24Å
110	E	92.1	Very high	94.6	Very high	146 Å²	146	59 Å²	59	68%	0.682	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-62.5	-18.7	178.8	-63.2	170.7	176.6	0	0	113.8	F15 K108 C112	F15-E110 HydrophobicContact CD2-CG 3.95Å; F15-E110 HydrophobicContact CE2-CB 4.32Å; F15-E110 HydrophobicContact CE2-CG 3.96Å; K108-E110 PolarHBondContact O-N 3.41Å; E110-C112 VanDerWaalsContact C-N 3.33Å
111	M	94	Very high	94.7	Very high	32 Å²	32	54.9 Å²	54.9	16%	0.158	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-87.2	-3.9	-179.3	-56.7	177	174.3	0	0	112.6	I85 K108 P109 G113 H114 F119	I85-M111 HydrophobicContact CD1-CB 3.83Å; K108-M111 HydrophobicContact CB-CE 4.23Å; K108-M111 HydrophobicContact CB-CG 4.2Å; K108-M111 HydrophobicContact CB-SD 4.19Å; K108-M111 HydrophobicContact CD-CE 4.17Å; K108-M111 HydrophobicContact CG-CE 4.13Å; K108-M111 WeakPolarHBondContact O-CB 3.43Å; K108-M111 PolarHBondContact O-N 3.36Å; P109-M111 PolarHBondContact O-N 2.79Å; P109-M111 VanDerWaalsContact O-N 3.11Å; M111-G113 PolarHBondContact O-N 2.88Å; M111-H114 WeakPolarHBondContact O-CB 3.47Å; M111-H114 PolarHBondContact O-N 3Å; M111-F119 HydrophobicContact CB-CE1 4.25Å; M111-F119 HydrophobicContact CB-CE2 4.07Å; M111-F119 HydrophobicContact CB-CZ 3.59Å; M111-F119 HydrophobicContact CE-CD1 3.92Å; M111-F119 HydrophobicContact CE-CE1 3.77Å; M111-F119 HydrophobicContact CG-CD1 4.49Å; M111-F119 HydrophobicContact CG-CE1 3.62Å; M111-F119 HydrophobicContact CG-CE2 4.28Å; M111-F119 HydrophobicContact CG-CZ 3.49Å; M111-F119 VanDerWaalsContact CG-CZ 3.49Å; M111-F119 HydrophobicContact SD-CD1 4.01Å; M111-F119 HydrophobicContact SD-CE1 3.71Å; M111-F119 HydrophobicContact SD-CE2 4.37Å; M111-F119 HydrophobicContact SD-CG 4.46Å; M111-F119 HydrophobicContact SD-CZ 3.91Å
112	C	92	Very high	94.6	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.027	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	128.7	178.4	-76.2	0	0	0	0	111.7	V90 P109 E110 H114	V90-C112 VanDerWaalsContact CG2-SG 3.54Å; P109-C112 VanDerWaalsContact O-CB 3.3Å; P109-C112 WeakPolarHBondContact O-CB 3.28Å; P109-C112 PolarHBondContact O-N 2.98Å; P109-C112 VanDerWaalsContact O-N 3.12Å; P109-C112 PolarHBondContact O-SG 3.24Å; E110-C112 VanDerWaalsContact C-N 3.33Å; C112-H114 VanDerWaalsContact C-N 3.33Å
113	G	91.4	Very high	94.5	Very high	5 Å²	5	59.3 Å²	59.3	5%	0.052	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-7.7	-176.3	0	0	0	0	0	115	Q41 I85 M111	Q41-G113 WeakPolarHBondContact CG-O 3.36Å; Q41-G113 PolarHBondContact NE2-O 2.94Å; I85-G113 PolarHBondContact O-N 2.99Å; I85-G113 VanDerWaalsContact O-N 3.08Å; M111-G113 PolarHBondContact O-N 2.88Å
114	H	95.8	Very high	94.4	Very high	77 Å²	77	65.3 Å²	65.3	36%	0.356	31%	0.31	S	S	.	.	S	Bend	trans	-82	164.8	169.1	-69.4	-85.5	0	0	0	111.8	I85 M111 C112 E118 F119	I85-H114 WeakPolarHBondContact CG1-O 3.42Å; I85-H114 PolarHBondContact N-O 2.93Å; M111-H114 WeakPolarHBondContact O-CB 3.47Å; M111-H114 PolarHBondContact O-N 3Å; C112-H114 VanDerWaalsContact C-N 3.33Å; H114-E118 IonicContact CE1-OE2 2.87Å; H114-E118 IonicContact CG-OE2 3.2Å; H114-E118 IonicContact ND1-OE2 2.73Å; H114-E118 PolarHBondContact ND1-OE2 3.1Å; H114-F119 HydrophobicContact CB-CE2 3.67Å; H114-F119 HydrophobicContact CB-CZ 3.77Å
115	Y	96.2	Very high	94.4	Very high	33 Å²	33	62.9 Å²	62.9	13%	0.129	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-88.8	144.5	171.8	-70.1	-87.3	0	0	0	111.5	R40 Q41 D82 M83 V84 G117 E118 F119	R40-Y115 HydrophobicContact CG-CE2 4.22Å; Q41-Y115 HydrophobicContact CG-CE2 4.34Å; D82-Y115 WeakPolarHBondContact O-CD1 3.18Å; D82-Y115 WeakPolarHBondContact O-CE1 3.11Å; M83-Y115 WeakPolarHBondContact O-CA 3.2Å; V84-Y115 HydrophobicContact CG2-CD1 3.86Å; V84-Y115 HydrophobicContact CG2-CE1 3.32Å; V84-Y115 HydrophobicContact CG2-CE2 4.4Å; Y115-G117 PolarHBondContact O-N 3.05Å; Y115-G117 VanDerWaalsContact O-N 3.14Å; Y115-E118 WeakPolarHBondContact CD2-OE1 3.43Å; Y115-E118 PolarHBondContact N-OE1 3.12Å; Y115-E118 WeakPolarHBondContact O-CB 3.48Å; Y115-E118 PolarHBondContact O-N 3.44Å; Y115-F119 WeakPolarHBondContact O-CD2 3.29Å
116	L	95.4	Very high	94.3	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-55.8	-33.2	176.3	-73.7	-178.9	0	0	0	112.8	L56 T78 M83 I85 M89 V94 V96 I107 E118 F119	L56-L116 HydrophobicContact CD2-CD1 4.34Å; T78-L116 HydrophobicContact CG2-CD1 4.16Å; M83-L116 HydrophobicContact CB-CD1 3.95Å; M83-L116 HydrophobicContact CB-CG 4.37Å; M83-L116 HydrophobicContact CG-CD1 4.39Å; M83-L116 PolarHBondContact O-N 2.83Å; I85-L116 HydrophobicContact CD1-CD2 4.02Å; I85-L116 HydrophobicContact CG1-CD2 3.73Å; I85-L116 HydrophobicContact CG1-CG 4.22Å; M89-L116 HydrophobicContact CE-CD1 4.29Å; M89-L116 HydrophobicContact CE-CD2 4.44Å; V94-L116 HydrophobicContact CG1-CD1 4.15Å; V94-L116 HydrophobicContact CG1-CD2 4.43Å; V96-L116 HydrophobicContact CG1-CB 4.45Å; V96-L116 HydrophobicContact CG2-CB 4.04Å; V96-L116 HydrophobicContact CG2-CD1 4.46Å; V96-L116 HydrophobicContact CG2-CD2 4.24Å; V96-L116 HydrophobicContact CG2-CG 4.5Å; I107-L116 HydrophobicContact CD1-CD2 4.26Å; L116-E118 PolarHBondContact O-N 3.47Å; L116-F119 PolarHBondContact O-N 3.49Å
117	G	94.1	Very high	94.3	Very high	15 Å²	15	73.3 Å²	73.3	16%	0.155	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-62.5	-23.3	178.6	0	0	0	0	0	114.8	R81 Y115 F119 S120	R81-G117 PolarHBondContact NH2-O 2.94Å; R81-G117 WeakPolarHBondContact O-CA 3.36Å; R81-G117 PolarHBondContact O-N 3.28Å; Y115-G117 PolarHBondContact O-N 3.05Å; Y115-G117 VanDerWaalsContact O-N 3.14Å; G117-F119 VanDerWaalsContact C-N 3.28Å; G117-F119 PolarHBondContact O-N 2.91Å; G117-S120 PolarHBondContact O-N 2.91Å
118	E	95.1	Very high	94.1	Very high	97 Å²	97	81.5 Å²	81.5	45%	0.453	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-69.2	-28.5	179.7	-64.9	172.4	-140.7	0	0	111.9	H114 Y115 L116	H114-E118 IonicContact CE1-OE2 2.87Å; H114-E118 IonicContact CG-OE2 3.2Å; H114-E118 IonicContact ND1-OE2 2.73Å; H114-E118 PolarHBondContact ND1-OE2 3.1Å; Y115-E118 WeakPolarHBondContact CD2-OE1 3.43Å; Y115-E118 PolarHBondContact N-OE1 3.12Å; Y115-E118 WeakPolarHBondContact O-CB 3.48Å; Y115-E118 PolarHBondContact O-N 3.44Å; L116-E118 PolarHBondContact O-N 3.47Å
119	F	95.5	Very high	93.8	Very high	67 Å²	67	79.5 Å²	79.5	29%	0.294	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-92	-1.4	-177.3	-55.9	-76.2	0	0	0	113.7	I85 V105 M111 H114 Y115 L116 G117	I85-F119 HydrophobicContact CD1-CD2 3.92Å; I85-F119 HydrophobicContact CD1-CE2 3.41Å; I85-F119 VanDerWaalsContact CD1-CE2 3.41Å; I85-F119 HydrophobicContact CD1-CZ 4.3Å; V105-F119 HydrophobicContact CG1-CB 3.81Å; V105-F119 HydrophobicContact CG1-CG 4.22Å; V105-F119 HydrophobicContact CG2-CB 3.99Å; M111-F119 HydrophobicContact CB-CE1 4.25Å; M111-F119 HydrophobicContact CB-CE2 4.07Å; M111-F119 HydrophobicContact CB-CZ 3.59Å; M111-F119 HydrophobicContact CE-CD1 3.92Å; M111-F119 HydrophobicContact CE-CE1 3.77Å; M111-F119 HydrophobicContact CG-CD1 4.49Å; M111-F119 HydrophobicContact CG-CE1 3.62Å; M111-F119 HydrophobicContact CG-CE2 4.28Å; M111-F119 HydrophobicContact CG-CZ 3.49Å; M111-F119 VanDerWaalsContact CG-CZ 3.49Å; M111-F119 HydrophobicContact SD-CD1 4.01Å; M111-F119 HydrophobicContact SD-CE1 3.71Å; M111-F119 HydrophobicContact SD-CE2 4.37Å; M111-F119 HydrophobicContact SD-CG 4.46Å; M111-F119 HydrophobicContact SD-CZ 3.91Å; H114-F119 HydrophobicContact CB-CE2 3.67Å; H114-F119 HydrophobicContact CB-CZ 3.77Å; Y115-F119 WeakPolarHBondContact O-CD2 3.29Å; L116-F119 PolarHBondContact O-N 3.49Å; G117-F119 VanDerWaalsContact C-N 3.28Å; G117-F119 PolarHBondContact O-N 2.91Å
120	S	94.9	Very high	93.3	Very high	1 Å²	1	89.3 Å²	89.3	1%	0.007	44%	0.439	C	S	.	.	S	Bend	trans	-127.9	96.1	-178.9	-173.2	0	0	0	0	109.6	R81 V96 N98 G117	R81-S120 PolarHBondContact NH2-O 2.89Å; V96-S120 PolarHBondContact O-OG 3.07Å; V96-S120 VanDerWaalsContact O-OG 3.11Å; N98-S120 WeakPolarHBondContact CB-OG 3.43Å; G117-S120 PolarHBondContact O-N 2.91Å
121	I	95.4	Very high	93	Very high	91 Å²	91	86 Å²	86	47%	0.467	43%	0.43	S	S	.	.			trans	-70.8	129.2	-178	-50.8	175.2	0	0	0	109.1	N98 Y123	N98-I121 WeakPolarHBondContact CB-O 3.27Å; I121-Y123 HydrophobicContact CG2-CD1 3.78Å; I121-Y123 HydrophobicContact CG2-CD2 4.44Å; I121-Y123 HydrophobicContact CG2-CE1 3.74Å; I121-Y123 HydrophobicContact CG2-CE2 4.4Å; I121-Y123 HydrophobicContact CG2-CG 4.14Å; I121-Y123 WeakPolarHBondContact CG2-O 3.39Å
122	T	95.8	Very high	92.4	Very high	77 Å²	77	86.7 Å²	86.7	47%	0.472	45%	0.445	S	S	.	.	S	Bend	trans	-78.7	-24.2	-179.2	47.2	0	0	0	0	114.3	N98	N98-T122 VanDerWaalsContact O-CG2 3.27Å; N98-T122 WeakPolarHBondContact O-CG2 3.49Å
123	Y	93.9	Very high	91.5	Very high	161 Å²	161	93 Å²	93	63%	0.631	48%	0.477	S	S	*	.	S	Bend	trans	-116.3	162.3	-176.1	66.1	-87.9	0	0	0	110.5	I121	I121-Y123 HydrophobicContact CG2-CD1 3.78Å; I121-Y123 HydrophobicContact CG2-CD2 4.44Å; I121-Y123 HydrophobicContact CG2-CE1 3.74Å; I121-Y123 HydrophobicContact CG2-CE2 4.4Å; I121-Y123 HydrophobicContact CG2-CG 4.14Å; I121-Y123 WeakPolarHBondContact CG2-O 3.39Å
124	K	93.6	Very high	90.7	Very high	187 Å²	187	95.1 Å²	95.1	81%	0.813	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-90.3	128.6	170.6	-170.1	175	-179.6	179.3	0	108.4	V126	K124-V126 PolarHBondContact O-N 3.44Å
125	P	94.8	Very high	90.1	Very high	88 Å²	88	95 Å²	95	57%	0.571	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-51.8	130.2	174.2	-27.6	35	0	0	0	111.1	K127	P125-K127 PolarHBondContact O-N 3.29Å
126	V	94.9	Very high	89.3	Confident	109 Å²	109	96.1 Å²	96.1	66%	0.661	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-75.5	126.1	-177.2	-177.6	0	0	0	0	108.5	K124	K124-V126 PolarHBondContact O-N 3.44Å
127	K	93.7	Very high	88.1	Confident	201 Å²	201	104 Å²	104	87%	0.874	56%	0.558	S	S	*	*			trans	-98.7	110.3	164.6	-69.1	-173.3	177.7	-173.8	0	107	P125 G129	P125-K127 PolarHBondContact O-N 3.29Å; K127-G129 PolarHBondContact O-N 2.85Å
128	H	90.2	Very high	87.1	Confident	175 Å²	175	108.2 Å²	108.2	81%	0.81	59%	0.585	S	S	*	*			trans	-65.5	123	178.2	-65.9	-71.9	0	0	0	109.5
129	G	87.4	Confident	85.9	Confident	66 Å²	66	104.5 Å²	104.5	68%	0.68	57%	0.57	S	S	*	*			trans	-85	-167.9	172.8	0	0	0	0	0	111.8	K127	K127-G129 PolarHBondContact O-N 2.85Å
130	R	82.4	Confident	84.7	Confident	243 Å²	243	110 Å²	110	92%	0.917	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-64	134.5	171	-70.5	-174	179.6	-176.4	0.3	109.5
131	P	85.4	Confident	83.5	Confident	76 Å²	76	117.8 Å²	117.8	49%	0.494	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-56.4	141.6	169.7	-20	30.9	0	0	0	109.9	A135 T136	P131-A135 HydrophobicContact CB-CB 4.38Å; P131-T136 HydrophobicContact CB-CG2 4.09Å; P131-T136 HydrophobicContact CG-CG2 4.25Å
132	G	82.3	Confident	82.2	Confident	47 Å²	47	118 Å²	118	49%	0.485	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-60.4	154	169	0	0	0	0	0	110.8	G134 A135 S139	G132-G134 PolarHBondContact O-N 3.17Å; G132-G134 VanDerWaalsContact O-N 3.17Å; G132-A135 VanDerWaalsContact O-CB 3.27Å; G132-A135 WeakPolarHBondContact O-CB 3.27Å; G132-A135 PolarHBondContact O-N 3.01Å; G132-S139 PolarHBondContact O-OG 3.34Å
133	I	74.3	Confident	81.2	Confident	137 Å²	137	119 Å²	119	70%	0.703	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	121.6	177.4	-58.7	166.1	0	0	0	108.3	I142	I133-I142 HydrophobicContact CD1-CD1 3.43Å; I133-I142 VanDerWaalsContact CD1-CD1 3.43Å; I133-I142 HydrophobicContact CG1-CD1 3.67Å; I133-I142 HydrophobicContact CG2-CD1 4.22Å
134	G	74.6	Confident	80.2	Confident	49 Å²	49	119.4 Å²	119.4	51%	0.505	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	85.2	-1.7	-177.8	0	0	0	0	0	116.3	G132 S139	G132-G134 PolarHBondContact O-N 3.17Å; G132-G134 VanDerWaalsContact O-N 3.17Å; G134-S139 PolarHBondContact N-O 3.23Å; G134-S139 PolarHBondContact N-OG 2.65Å
135	A	81.6	Confident	78.3	Confident	75 Å²	75	123.8 Å²	123.8	62%	0.62	66%	0.663	S	S	*	*	S	Bend	trans	-75.4	-25.5	177.8	0	0	0	0	0	113.2	P131 G132 S139	P131-A135 HydrophobicContact CB-CB 4.38Å; G132-A135 VanDerWaalsContact O-CB 3.27Å; G132-A135 WeakPolarHBondContact O-CB 3.27Å; G132-A135 PolarHBondContact O-N 3.01Å; A135-S139 PolarHBondContact N-OG 2.93Å
136	T	79.5	Confident	77.4	Confident	56 Å²	56	125.6 Å²	125.6	34%	0.344	67%	0.668	S	S	.	*	S	Bend	trans	-132.3	152.8	175.9	55.9	0	0	0	0	110.1	P131 S138 S139	P131-T136 HydrophobicContact CB-CG2 4.09Å; P131-T136 HydrophobicContact CG-CG2 4.25Å; T136-S138 PolarHBondContact O-N 3.45Å; T136-S138 PolarHBondContact OG1-OG 2.99Å; T136-S139 PolarHBondContact N-OG 3.38Å; T136-S139 PolarHBondContact O-N 3.31Å; T136-S139 PolarHBondContact O-OG 3.17Å; T136-S139 VanDerWaalsContact OG1-CB 3.27Å; T136-S139 WeakPolarHBondContact OG1-CB 3.27Å; T136-S139 PolarHBondContact OG1-OG 2.92Å
137	H	71.8	Confident	76.5	Confident	165 Å²	165	126.5 Å²	126.5	76%	0.764	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-57.4	-34.2	-178.5	-164.2	-87.7	0	0	0	112.6	S139	H137-S139 VanDerWaalsContact C-N 3.35Å
138	S	72.6	Confident	75.6	Confident	104 Å²	104	122.3 Å²	122.3	73%	0.727	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-74.8	-18.3	176.1	54.1	0	0	0	0	114.5	T136	T136-S138 PolarHBondContact O-N 3.45Å; T136-S138 PolarHBondContact OG1-OG 2.99Å
139	S	70	Confident	74.7	Confident	20 Å²	20	119.2 Å²	119.2	14%	0.14	65%	0.648	C	S	.	*	G	3₁₀ helix	trans	-91.4	1.8	179.4	66.7	0	0	0	0	114.2	G132 G134 A135 T136 H137	G132-S139 PolarHBondContact O-OG 3.34Å; G134-S139 PolarHBondContact N-O 3.23Å; G134-S139 PolarHBondContact N-OG 2.65Å; A135-S139 PolarHBondContact N-OG 2.93Å; T136-S139 PolarHBondContact N-OG 3.38Å; T136-S139 PolarHBondContact O-N 3.31Å; T136-S139 PolarHBondContact O-OG 3.17Å; T136-S139 VanDerWaalsContact OG1-CB 3.27Å; T136-S139 WeakPolarHBondContact OG1-CB 3.27Å; T136-S139 PolarHBondContact OG1-OG 2.92Å; H137-S139 VanDerWaalsContact C-N 3.35Å
140	R	69.7	Low	73.9	Confident	183 Å²	183	122.6 Å²	122.6	69%	0.691	65%	0.646	S	S	*	*	S	Bend	trans	-76.1	-25.1	179.3	-71.4	-179.2	82.7	-179.3	6.6	113
141	F	68.9	Low	73.4	Confident	163 Å²	163	114.5 Å²	114.5	72%	0.715	63%	0.628	S	S	*	*			trans	-111.9	114.6	-178.7	-170.8	-101.8	0	0	0	110.4	P143	F141-P143 HydrophobicContact CD1-CG 4.47Å; F141-P143 HydrophobicContact CE1-CB 4.02Å; F141-P143 HydrophobicContact CE1-CG 4.28Å
142	I	69.5	Low	72.5	Confident	97 Å²	97	117.3 Å²	117.3	50%	0.497	64%	0.637	S	S	.	*			trans	-102.3	114.2	167.8	-58.7	169.7	0	0	0	105.3	I133 L144	I133-I142 HydrophobicContact CD1-CD1 3.43Å; I133-I142 VanDerWaalsContact CD1-CD1 3.43Å; I133-I142 HydrophobicContact CG1-CD1 3.67Å; I133-I142 HydrophobicContact CG2-CD1 4.22Å; I142-L144 PolarHBondContact O-N 2.98Å
143	P	74.2	Confident	71.7	Confident	98 Å²	98	122.7 Å²	122.7	64%	0.636	65%	0.649	S	S	*	*			trans	-62.9	111.8	172.6	3.6	2.9	0	0	0	108.2	F141	F141-P143 HydrophobicContact CD1-CG 4.47Å; F141-P143 HydrophobicContact CE1-CB 4.02Å; F141-P143 HydrophobicContact CE1-CG 4.28Å
144	L	72.8	Confident	71.5	Confident	169 Å²	169	121.5 Å²	121.5	89%	0.885	65%	0.645	S	S	*	*			trans	-68.6	128	166.3	-74.2	159.8	0	0	0	107	I142	I142-L144 PolarHBondContact O-N 2.98Å
145	K	53.4	Low	71.3	Confident	279 Å²	279	128.1 Å²	128.1	100%	1.213	66%	0.657	S	S	*	*			trans	-83	0	172.5	-170.2	176.6	-176.9	-179.1	0	109.8

Retrieved 145 of 145 residues in 113.2 ms (Link to these results)

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