X6RBV8_HUMAN Loading...

Neuralized E3 ubiquitin protein ligase 1

AlphaFold DB , UniProt , Accession X6RBV8, Species HUMAN (Homo sapiens, Human), Gene NEURL1, Length 108 aa.

						>X6RBV8_HUMAN|X6RBV8|NEURL1
MDLSHKAVKRQASFCNAITFSNRPVLIYEQVRLKITKKQCCWSGALRLGFTSKDPSRIHPDSLPKYACPDLVSQSGFWAKALPEEFANEGNIIAFWVDKKGRVFHRIN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.4	Very low	73.4	Confident	222 Å²	222	132.8 Å²	132.8	100%	1.094	68%	0.679	S	S	*	*				0	113	0	-83.2	178.5	-176.3	0	0	107.4	L3	M1-L3 PolarHBondContact O-N 3.49Å
2	D	44.2	Very low	74.4	Confident	103 Å²	103	127.8 Å²	127.8	55%	0.551	67%	0.673	S	S	*	*			trans	-61.9	127.9	179.9	-176	6.6	0	0	0	110.8	S4 H5	D2-S4 WeakPolarHBondContact OD1-CB 3.29Å; D2-S4 PolarHBondContact OD1-N 3.1Å; D2-S4 PolarHBondContact OD1-OG 3.39Å; D2-S4 PolarHBondContact OD2-OG 2.85Å; D2-H5 IonicContact OD2-CD2 3.59Å; D2-H5 IonicContact OD2-NE2 2.77Å
3	L	54.3	Low	75.5	Confident	132 Å²	132	122.7 Å²	122.7	69%	0.691	65%	0.654	S	S	*	*	S	Bend	trans	-86.3	-11.2	178.9	-71.8	168.1	0	0	0	112.1	M1 H5 K6	M1-L3 PolarHBondContact O-N 3.49Å; L3-H5 VanDerWaalsContact C-N 3.27Å; L3-H5 PolarHBondContact O-N 3.44Å; L3-K6 HydrophobicContact CD2-CD 4.44Å; L3-K6 PolarHBondContact O-N 2.81Å
4	S	58.7	Low	76.2	Confident	76 Å²	76	121.3 Å²	121.3	53%	0.531	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.1	-23.2	-169.9	75.2	0	0	0	0	114	D2	D2-S4 WeakPolarHBondContact OD1-CB 3.29Å; D2-S4 PolarHBondContact OD1-N 3.1Å; D2-S4 PolarHBondContact OD1-OG 3.39Å; D2-S4 PolarHBondContact OD2-OG 2.85Å
5	H	67.6	Low	77	Confident	151 Å²	151	114.3 Å²	114.3	70%	0.699	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	13.6	-177.7	-67.1	-106.3	0	0	0	114.9	D2 L3	D2-H5 IonicContact OD2-CD2 3.59Å; D2-H5 IonicContact OD2-NE2 2.77Å; L3-H5 VanDerWaalsContact C-N 3.27Å; L3-H5 PolarHBondContact O-N 3.44Å
6	K	84.6	Confident	77.8	Confident	151 Å²	151	114.1 Å²	114.1	66%	0.657	60%	0.604	S	S	*	*	S	Bend	trans	-106.3	-1.9	-175.5	-64.2	-173.8	-177.7	-179.3	0	114.9	L3	L3-K6 HydrophobicContact CD2-CD 4.44Å; L3-K6 PolarHBondContact O-N 2.81Å
7	A	90.7	Very high	78.7	Confident	81 Å²	81	110.4 Å²	110.4	67%	0.669	59%	0.593	S	S	*	*			trans	-130.7	140.4	-178.8	0	0	0	0	0	110.4
8	V	92.2	Very high	79.6	Confident	113 Å²	113	106.4 Å²	106.4	69%	0.685	57%	0.571	S	S	*	*			trans	-127	143.6	174.8	-65	0	0	0	0	109.2	T19	V8-T19 HydrophobicContact CB-CG2 4.33Å; V8-T19 HydrophobicContact CG1-CG2 4.18Å
9	K	91.8	Very high	80.4	Confident	173 Å²	173	105.3 Å²	105.3	75%	0.752	57%	0.568	S	S	*	*			trans	-140.9	127.6	178.5	-179.5	-173.6	174	-169	0	109	Q11	K9-Q11 PolarHBondContact O-N 3.23Å
10	R	91.6	Very high	81.1	Confident	76 Å²	76	103.4 Å²	103.4	29%	0.287	56%	0.555	S	S	.	*			trans	-66.5	120.3	166.5	-174.8	-178.8	67	-152.5	-2	108.6	A12 S13 F14 A17 W42	R10-A12 WeakPolarHBondContact CG-O 3.39Å; R10-S13 VanDerWaalsContact CZ-O 3.3Å; R10-S13 PolarHBondContact NE-O 2.83Å; R10-F14 PolarHBondContact NH1-O 3.08Å; R10-A17 HydrophobicContact CB-CB 4.14Å; R10-A17 HydrophobicContact CG-CB 4.02Å; R10-W42 VanDerWaalsContact NH2-CD1 3.25Å
11	Q	86.9	Confident	81.8	Confident	183 Å²	183	101.5 Å²	101.5	86%	0.855	55%	0.549	S	S	*	.			trans	-75.2	-43.4	-173.9	-66.5	-174.2	-5.3	0	0	112.6	K9	K9-Q11 PolarHBondContact O-N 3.23Å
12	A	85.1	Confident	84	Confident	73 Å²	73	98 Å²	98	60%	0.603	54%	0.535	S	S	*	.	S	Bend	trans	-149.3	169	-177.1	0	0	0	0	0	111.2	R10	R10-A12 WeakPolarHBondContact CG-O 3.39Å
13	S	88.1	Confident	86.4	Confident	61 Å²	61	99 Å²	99	43%	0.427	53%	0.531	S	S	.	.	S	Bend	trans	58.3	-158.9	178.7	-165.7	0	0	0	0	113	R10	R10-S13 VanDerWaalsContact CZ-O 3.3Å; R10-S13 PolarHBondContact NE-O 2.83Å
14	F	85	Confident	88.4	Confident	103 Å²	103	98.1 Å²	98.1	45%	0.452	53%	0.534	S	S	.	.	S	Bend	trans	-122.6	-14.5	-176	64.6	-86.2	0	0	0	114.6	R10 W42 Y66	R10-F14 PolarHBondContact NH1-O 3.08Å; F14-W42 HydrophobicContact CB-CD2 3.89Å; F14-W42 HydrophobicContact CB-CE3 3.57Å; F14-W42 HydrophobicContact CB-CH2 4.11Å; F14-W42 HydrophobicContact CB-CZ2 4.4Å; F14-W42 HydrophobicContact CB-CZ3 3.69Å; F14-W42 HydrophobicContact CD1-CE3 4.33Å; F14-W42 AromaticContact CD1-CH2 3.81Å; F14-W42 HydrophobicContact CD1-CH2 3.81Å; F14-W42 AromaticContact CD1-CZ3 3.59Å; F14-W42 HydrophobicContact CD1-CZ3 3.59Å; F14-W42 HydrophobicContact CG-CE3 4.2Å; F14-W42 HydrophobicContact CG-CH2 4.39Å; F14-W42 AromaticContact CG-CZ3 3.91Å; F14-W42 HydrophobicContact CG-CZ3 3.91Å; F14-Y66 HydrophobicContact CD2-CE1 4.39Å; F14-Y66 HydrophobicContact CE2-CE1 4.07Å; F14-Y66 WeakPolarHBondContact CE2-OH 3.4Å
15	C	88.5	Confident	90.2	Very high	17 Å²	17	96.4 Å²	96.4	12%	0.115	52%	0.52	C	S	.	.	S	Bend	trans	-118.3	-170.4	-178.9	62.2	0	0	0	0	112.2	A17 K65 Y66	C15-A17 VanDerWaalsContact C-N 3.33Å; C15-A17 PolarHBondContact O-N 2.99Å; C15-K65 HydrophobicContact CB-CB 4.42Å; C15-Y66 HydrophobicContact CB-CD1 4.05Å; C15-Y66 HydrophobicContact CB-CE1 3.45Å; C15-Y66 VanDerWaalsContact CB-CE1 3.45Å
16	N	90.3	Very high	91.6	Very high	111 Å²	111	95.2 Å²	95.2	59%	0.594	52%	0.518	S	S	*	.			trans	59.2	38.7	179.5	-57.9	-30.3	0	0	0	114	K65	N16-K65 PolarHBondContact N-O 2.9Å; N16-K65 VanDerWaalsContact N-O 3.12Å; N16-K65 VanDerWaalsContact OD1-CA 3.32Å; N16-K65 WeakPolarHBondContact OD1-CA 3.49Å; N16-K65 WeakPolarHBondContact OD1-CG 3.33Å
17	A	92.9	Very high	92.2	Very high	51 Å²	51	92.2 Å²	92.2	42%	0.421	51%	0.508	S	S	.	.			trans	-120.2	26.7	-176.2	0	0	0	0	0	112.7	R10 C15	R10-A17 HydrophobicContact CB-CB 4.14Å; R10-A17 HydrophobicContact CG-CB 4.02Å; C15-A17 VanDerWaalsContact C-N 3.33Å; C15-A17 PolarHBondContact O-N 2.99Å
18	I	94.8	Very high	92.5	Very high	38 Å²	38	94.3 Å²	94.3	20%	0.195	50%	0.499	C	S	.	.			trans	-71.4	129.3	176.3	-60.2	173.8	0	0	0	108.4	F20 L63 P64 L71	I18-F20 HydrophobicContact CG2-CE1 4.48Å; I18-F20 HydrophobicContact CG2-CE2 3.96Å; I18-F20 HydrophobicContact CG2-CZ 3.81Å; I18-L63 HydrophobicContact CG2-CD2 4.47Å; I18-P64 HydrophobicContact CD1-CG 4.11Å; I18-P64 VanDerWaalsContact CD1-O 3.26Å; I18-P64 WeakPolarHBondContact CD1-O 3.38Å; I18-L71 HydrophobicContact CD1-CD2 4.29Å; I18-L71 HydrophobicContact CG2-CD2 4.08Å
19	T	94.6	Very high	92.8	Very high	85 Å²	85	91 Å²	91	52%	0.521	48%	0.477	S	S	.	.			trans	-135.2	155.3	177.9	61.9	0	0	0	0	110	V8	V8-T19 HydrophobicContact CB-CG2 4.33Å; V8-T19 HydrophobicContact CG1-CG2 4.18Å
20	F	95.4	Very high	93.1	Very high	68 Å²	68	86.9 Å²	86.9	30%	0.298	46%	0.46	S	S	.	.			trans	-124.2	160.1	-180	-59.1	-81.7	0	0	0	110.7	I18 T51 P55 I58 L63 L71 F77	I18-F20 HydrophobicContact CG2-CE1 4.48Å; I18-F20 HydrophobicContact CG2-CE2 3.96Å; I18-F20 HydrophobicContact CG2-CZ 3.81Å; F20-T51 HydrophobicContact CD1-CG2 4.07Å; F20-T51 HydrophobicContact CE1-CG2 4.14Å; F20-P55 HydrophobicContact CB-CB 3.62Å; F20-P55 HydrophobicContact CB-CG 3.62Å; F20-P55 HydrophobicContact CD1-CB 4.31Å; F20-P55 HydrophobicContact CD1-CG 4.04Å; F20-P55 HydrophobicContact CD2-CB 3.97Å; F20-P55 HydrophobicContact CG-CB 3.71Å; F20-P55 HydrophobicContact CG-CG 3.84Å; F20-I58 HydrophobicContact CE2-CD1 4.4Å; F20-I58 HydrophobicContact CZ-CD1 4.09Å; F20-L63 HydrophobicContact CE2-CD1 4.12Å; F20-L63 HydrophobicContact CE2-CD2 3.85Å; F20-L63 HydrophobicContact CZ-CD2 3.92Å; F20-L71 HydrophobicContact CZ-CD2 4.47Å; F20-F77 HydrophobicContact CE1-CD1 4.5Å; F20-F77 AromaticContact CE1-CE1 3.96Å; F20-F77 HydrophobicContact CE1-CE1 3.96Å; F20-F77 HydrophobicContact CZ-CE1 4.18Å
21	S	94.5	Very high	93.3	Very high	63 Å²	63	84.7 Å²	84.7	44%	0.441	46%	0.455	S	S	.	.			trans	-66.3	148.1	168.8	56.4	0	0	0	0	110.4	R23	S21-R23 WeakPolarHBondContact CB-O 3.47Å; S21-R23 PolarHBondContact O-N 2.95Å; S21-R23 PolarHBondContact OG-O 2.77Å
22	N	92.3	Very high	93.7	Very high	149 Å²	149	83.2 Å²	83.2	80%	0.797	44%	0.442	S	S	*	.	S	Bend	trans	-78.2	-3.8	177.8	72.1	-41	0	0	0	113.5
23	R	94.3	Very high	94.2	Very high	124 Å²	124	82.9 Å²	82.9	47%	0.468	43%	0.43	S	S	.	.	S	Bend	trans	-147.6	161.5	174.6	66.2	163.5	179	85.1	-1.7	111	S21 E29	S21-R23 WeakPolarHBondContact CB-O 3.47Å; S21-R23 PolarHBondContact O-N 2.95Å; S21-R23 PolarHBondContact OG-O 2.77Å; R23-E29 IonicContact CZ-OE1 2.64Å; R23-E29 VanDerWaalsContact CZ-OE1 3.24Å; R23-E29 IonicContact CZ-OE2 3.66Å; R23-E29 VanDerWaalsContact NH1-CD 3.34Å; R23-E29 IonicContact NH1-OE1 3.16Å; R23-E29 PolarHBondContact NH1-OE1 3.41Å; R23-E29 IonicContact NH1-OE2 3.24Å; R23-E29 PolarHBondContact NH1-OE2 2.92Å; R23-E29 IonicContact NH2-OE1 3.02Å; R23-E29 PolarHBondContact NH2-OE1 3.29Å; R23-E29 IonicContact NH2-OE2 2.86Å
24	P	96	Very high	94.6	Very high	114 Å²	114	86.6 Å²	86.6	74%	0.74	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-58.2	144.3	166.9	-22.8	34.3	0	0	0	111.7
25	V	96.4	Very high	95.1	Very high	40 Å²	40	82.8 Å²	82.8	24%	0.242	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-103.4	130.9	175.7	177.5	0	0	0	0	108	E29 V31 F50	V25-E29 HydrophobicContact CG1-CB 3.82Å; V25-E29 HydrophobicContact CG1-CG 4.2Å; V25-V31 HydrophobicContact CB-CG2 4.3Å; V25-V31 HydrophobicContact CG1-CG2 3.6Å; V25-V31 HydrophobicContact CG2-CG2 3.72Å; V25-F50 HydrophobicContact CG1-CE1 4.33Å
26	L	97.5	Very high	95.4	Very high	126 Å²	126	86.9 Å²	86.9	66%	0.66	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-74.8	156.7	179.7	-60.3	174	0	0	0	111.5	Y28 E29	L26-Y28 PolarHBondContact O-N 3.34Å; L26-E29 HydrophobicContact CB-CB 4.03Å; L26-E29 PolarHBondContact N-OE2 3.49Å; L26-E29 WeakPolarHBondContact O-CB 3.43Å; L26-E29 PolarHBondContact O-N 2.9Å
27	I	97.6	Very high	95.5	Very high	87 Å²	87	89.9 Å²	89.9	45%	0.446	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	137.5	170	-56.2	-60.4	0	0	0	109	E29 V97 K99	I27-E29 PolarHBondContact O-N 2.68Å; I27-V97 HydrophobicContact CD1-CG1 3.72Å; I27-V97 WeakPolarHBondContact CG2-O 3.46Å; I27-K99 HydrophobicContact CG2-CG 3.88Å
28	Y	97.9	Very high	95.3	Very high	125 Å²	125	90.9 Å²	90.9	49%	0.49	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	-1.5	-170.8	-53.8	-70.6	0	0	0	116.3	L26 Q30 V97 D98 K99	L26-Y28 PolarHBondContact O-N 3.34Å; Y28-Q30 PolarHBondContact O-N 2.73Å; Y28-V97 PolarHBondContact N-O 2.95Å; Y28-D98 HydrophobicContact CD1-CB 4.18Å; Y28-D98 HydrophobicContact CE1-CB 3.4Å; Y28-D98 VanDerWaalsContact CE1-CB 3.4Å; Y28-K99 HydrophobicContact CE2-CB 4.47Å; Y28-K99 HydrophobicContact CE2-CD 3.91Å; Y28-K99 HydrophobicContact CE2-CG 3.64Å; Y28-K99 PolarHBondContact OH-N 3.04Å
29	E	97.9	Very high	94.9	Very high	45 Å²	45	93 Å²	93	21%	0.21	46%	0.458	C	S	.	.			trans	-71.6	127.3	173.6	-169.1	-166.1	137.9	0	0	110.3	R23 V25 L26 I27 V31 W96	R23-E29 IonicContact CZ-OE1 2.64Å; R23-E29 VanDerWaalsContact CZ-OE1 3.24Å; R23-E29 IonicContact CZ-OE2 3.66Å; R23-E29 VanDerWaalsContact NH1-CD 3.34Å; R23-E29 IonicContact NH1-OE1 3.16Å; R23-E29 PolarHBondContact NH1-OE1 3.41Å; R23-E29 IonicContact NH1-OE2 3.24Å; R23-E29 PolarHBondContact NH1-OE2 2.92Å; R23-E29 IonicContact NH2-OE1 3.02Å; R23-E29 PolarHBondContact NH2-OE1 3.29Å; R23-E29 IonicContact NH2-OE2 2.86Å; V25-E29 HydrophobicContact CG1-CB 3.82Å; V25-E29 HydrophobicContact CG1-CG 4.2Å; L26-E29 HydrophobicContact CB-CB 4.03Å; L26-E29 PolarHBondContact N-OE2 3.49Å; L26-E29 WeakPolarHBondContact O-CB 3.43Å; L26-E29 PolarHBondContact O-N 2.9Å; I27-E29 PolarHBondContact O-N 2.68Å; E29-V31 PolarHBondContact O-N 2.86Å; E29-W96 VanDerWaalsContact O-CB 3.26Å; E29-W96 WeakPolarHBondContact O-CB 2.98Å
30	Q	97	Very high	94.4	Very high	85 Å²	85	94.7 Å²	94.7	40%	0.397	47%	0.472	S	S	.	.			trans	-85.5	114	178.3	-66.3	-171.2	4.9	0	0	111.3	Y28 W96	Y28-Q30 PolarHBondContact O-N 2.73Å; Q30-W96 HydrophobicContact CG-CB 4.27Å; Q30-W96 HydrophobicContact CG-CD2 4.12Å; Q30-W96 HydrophobicContact CG-CE3 3.84Å; Q30-W96 HydrophobicContact CG-CG 4.34Å
31	V	96.6	Very high	93.9	Very high	30 Å²	30	96.4 Å²	96.4	18%	0.182	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.8	166.9	-174.7	0	0	0	0	108.2	V25 E29 A94 F95	V25-V31 HydrophobicContact CB-CG2 4.3Å; V25-V31 HydrophobicContact CG1-CG2 3.6Å; V25-V31 HydrophobicContact CG2-CG2 3.72Å; E29-V31 PolarHBondContact O-N 2.86Å; V31-A94 CarbonylContact O-C 3.6Å; V31-A94 VanDerWaalsContact O-CA 3.27Å; V31-A94 WeakPolarHBondContact O-CA 3.26Å; V31-F95 HydrophobicContact CB-CD1 4.16Å; V31-F95 HydrophobicContact CB-CE1 3.69Å; V31-F95 HydrophobicContact CB-CE2 4.08Å; V31-F95 HydrophobicContact CB-CZ 3.66Å; V31-F95 HydrophobicContact CG1-CD1 4.49Å; V31-F95 HydrophobicContact CG1-CE1 3.6Å; V31-F95 HydrophobicContact CG1-CE2 4.42Å; V31-F95 HydrophobicContact CG1-CZ 3.56Å; V31-F95 HydrophobicContact CG2-CE2 4.36Å; V31-F95 HydrophobicContact CG2-CZ 4.28Å; V31-F95 PolarHBondContact N-O 3.01Å; V31-F95 PolarHBondContact O-N 2.88Å
32	R	95.9	Very high	93.4	Very high	152 Å²	152	98.6 Å²	98.6	57%	0.574	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.2	-178.6	-64.1	178.4	68.3	-166.7	3.2	110.6	I92 I93 A94	R32-I92 HydrophobicContact CB-CG2 4.35Å; R32-I93 CarbonylContact C-O 3.51Å; R32-I93 WeakPolarHBondContact CA-O 3.38Å; R32-A94 HydrophobicContact CG-CB 4.09Å
33	L	95	Very high	92.9	Very high	67 Å²	67	97.1 Å²	97.1	35%	0.351	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120.6	179	-61.7	176.7	0	0	0	109.6	L48 I92 I93 F95	L33-L48 HydrophobicContact CD1-CD1 4.29Å; L33-L48 HydrophobicContact CD1-CD2 3.46Å; L33-L48 VanDerWaalsContact CD1-CD2 3.46Å; L33-I92 CarbonylContact O-C 3.53Å; L33-I92 WeakPolarHBondContact O-CA 3.47Å; L33-I93 PolarHBondContact N-O 3.07Å; L33-I93 PolarHBondContact O-N 3.44Å; L33-F95 HydrophobicContact CD1-CE1 3.68Å; L33-F95 HydrophobicContact CD1-CZ 4.32Å; L33-F95 HydrophobicContact CG-CE1 4.01Å
34	K	95.9	Very high	92.5	Very high	138 Å²	138	93 Å²	93	60%	0.6	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.3	173.1	-175.9	175	-178.9	177.3	0	109.6	T36 N91 I92	K34-T36 HydrophobicContact CG-CG2 4.47Å; K34-T36 PolarHBondContact O-N 2.87Å; K34-N91 WeakPolarHBondContact CA-O 3.13Å; K34-I92 HydrophobicContact CB-CG1 4.25Å; K34-I92 HydrophobicContact CG-CG1 4.14Å
35	I	95.3	Very high	92.2	Very high	24 Å²	24	88.7 Å²	88.7	12%	0.123	46%	0.462	C	S	.	.			trans	-77.2	107.2	171.7	-51.2	-56.6	0	0	0	108	L46 N88 G90 N91 I93	I35-L46 HydrophobicContact CD1-CD2 4.03Å; I35-N88 WeakPolarHBondContact CB-O 3.22Å; I35-G90 PolarHBondContact O-N 3.24Å; I35-N91 HydrophobicContact CG1-CB 4.48Å; I35-N91 PolarHBondContact N-O 3.18Å; I35-I93 HydrophobicContact CD1-CD1 4.1Å; I35-I93 HydrophobicContact CG1-CD1 4.39Å
36	T	94.4	Very high	92	Very high	102 Å²	102	89.6 Å²	89.6	63%	0.626	47%	0.465	S	S	*	.			trans	-90.9	-31.7	-177.1	54.5	0	0	0	0	112.8	K34	K34-T36 HydrophobicContact CG-CG2 4.47Å; K34-T36 PolarHBondContact O-N 2.87Å
37	K	92.4	Very high	91.9	Very high	174 Å²	174	88.8 Å²	88.8	76%	0.757	45%	0.453	S	S	*	.			trans	-147.9	146	176.8	-68.5	-154.2	176.4	-162.4	0	111.6	E89	K37-E89 VanDerWaalsContact CA-OE1 3.31Å; K37-E89 WeakPolarHBondContact CA-OE1 3.35Å
38	K	89.6	Confident	91.8	Very high	73 Å²	73	86.1 Å²	86.1	32%	0.317	44%	0.439	S	S	.	.			trans	-125	131.4	173.3	-172.7	-175.3	-170.8	176.4	0	109.1	A87 N88 E89	K38-A87 WeakPolarHBondContact CD-O 3.42Å; K38-N88 PolarHBondContact NZ-OD1 3.1Å; K38-E89 HydrophobicContact CB-CG 3.82Å; K38-E89 PolarHBondContact N-OE1 3.1Å
39	Q	87.4	Confident	91.8	Very high	83 Å²	83	81.7 Å²	81.7	39%	0.388	43%	0.432	S	S	.	.			trans	-90	108.6	173.3	-72	-179.6	-34.5	0	0	109.4	C41 W42	Q39-C41 PolarHBondContact O-N 3.09Å; Q39-W42 PolarHBondContact O-N 2.69Å
40	C	82.3	Confident	91.7	Very high	120 Å²	120	81.6 Å²	81.6	81%	0.811	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-13.3	-176.2	-56	0	0	0	0	114.5	W42	C40-W42 PolarHBondContact O-N 2.93Å
41	C	85.1	Confident	91.7	Very high	103 Å²	103	79.5 Å²	79.5	70%	0.696	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-0.3	176.9	56	0	0	0	0	114.1	Q39	Q39-C41 PolarHBondContact O-N 3.09Å
42	W	84.1	Confident	91.7	Very high	109 Å²	109	82.2 Å²	82.2	41%	0.413	44%	0.444	S	S	.	.			trans	-125.5	134.8	178.2	-59.3	104.6	0	0	0	110.5	R10 F14 Q39 C40	R10-W42 VanDerWaalsContact NH2-CD1 3.25Å; F14-W42 HydrophobicContact CB-CD2 3.89Å; F14-W42 HydrophobicContact CB-CE3 3.57Å; F14-W42 HydrophobicContact CB-CH2 4.11Å; F14-W42 HydrophobicContact CB-CZ2 4.4Å; F14-W42 HydrophobicContact CB-CZ3 3.69Å; F14-W42 HydrophobicContact CD1-CE3 4.33Å; F14-W42 AromaticContact CD1-CH2 3.81Å; F14-W42 HydrophobicContact CD1-CH2 3.81Å; F14-W42 AromaticContact CD1-CZ3 3.59Å; F14-W42 HydrophobicContact CD1-CZ3 3.59Å; F14-W42 HydrophobicContact CG-CE3 4.2Å; F14-W42 HydrophobicContact CG-CH2 4.39Å; F14-W42 AromaticContact CG-CZ3 3.91Å; F14-W42 HydrophobicContact CG-CZ3 3.91Å; Q39-W42 PolarHBondContact O-N 2.69Å; C40-W42 PolarHBondContact O-N 2.93Å
43	S	82.6	Confident	91.7	Very high	118 Å²	118	79.8 Å²	79.8	83%	0.825	44%	0.438	S	S	*	.			trans	-97.2	147.1	167.8	-55.7	0	0	0	0	110.1
44	G	85.8	Confident	91.7	Very high	37 Å²	37	80.6 Å²	80.6	38%	0.381	44%	0.442	S	S	.	.			trans	141.1	157.9	175.8	0	0	0	0	0	114.5	E84	G44-E84 WeakPolarHBondContact CA-OE1 3.37Å; G44-E84 VanDerWaalsContact N-CD 3.35Å; G44-E84 PolarHBondContact N-OE1 3.21Å; G44-E84 PolarHBondContact N-OE2 3.35Å
45	A	89.6	Confident	91.6	Very high	25 Å²	25	76 Å²	76	21%	0.207	43%	0.427	C	S	.	.			trans	-78.3	148.9	-179	0	0	0	0	0	114.6	R47 A81 L82	A45-R47 WeakPolarHBondContact O-CD 3.12Å; A45-R47 PolarHBondContact O-NH1 2.76Å; A45-A81 HydrophobicContact CB-CB 3.76Å; A45-L82 WeakPolarHBondContact CB-O 3.09Å
46	L	93.1	Very high	91.4	Very high	58 Å²	58	79.6 Å²	79.6	30%	0.304	45%	0.454	S	S	.	.			trans	-73.6	137.6	158.1	-179.5	65.4	0	0	0	109	I35 L48 L82 A87 I93	I35-L46 HydrophobicContact CD1-CD2 4.03Å; L46-L48 HydrophobicContact CD2-CD1 4.48Å; L46-L48 HydrophobicContact CD2-CD2 4.21Å; L46-L48 HydrophobicContact CD2-CG 4.3Å; L46-L48 HydrophobicContact CG-CD2 4.31Å; L46-L48 HydrophobicContact CG-CG 4.35Å; L46-L82 PolarHBondContact O-N 3.23Å; L46-A87 HydrophobicContact CB-CB 4.22Å; L46-I93 HydrophobicContact CD2-CD1 3.62Å
47	R	95.5	Very high	91.3	Very high	110 Å²	110	84.8 Å²	84.8	42%	0.415	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.4	173.6	-73.1	72.3	167.4	169.8	0.2	109.4	A45 A67 K80 A81	A45-R47 WeakPolarHBondContact O-CD 3.12Å; A45-R47 PolarHBondContact O-NH1 2.76Å; R47-A67 HydrophobicContact CB-CB 4.3Å; R47-K80 WeakPolarHBondContact CA-O 3.26Å; R47-A81 HydrophobicContact CG-CB 4.26Å
48	L	95.4	Very high	91.3	Very high	30 Å²	30	78.2 Å²	78.2	16%	0.157	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154.1	175.2	-64.2	-178.5	0	0	0	110.8	L33 L46 A79 K80 L82 I93 F95	L33-L48 HydrophobicContact CD1-CD1 4.29Å; L33-L48 HydrophobicContact CD1-CD2 3.46Å; L33-L48 VanDerWaalsContact CD1-CD2 3.46Å; L46-L48 HydrophobicContact CD2-CD1 4.48Å; L46-L48 HydrophobicContact CD2-CD2 4.21Å; L46-L48 HydrophobicContact CD2-CG 4.3Å; L46-L48 HydrophobicContact CG-CD2 4.31Å; L46-L48 HydrophobicContact CG-CG 4.35Å; L48-A79 CarbonylContact O-C 3.4Å; L48-A79 WeakPolarHBondContact O-CA 3.35Å; L48-K80 PolarHBondContact N-O 2.64Å; L48-K80 PolarHBondContact O-N 2.87Å; L48-L82 HydrophobicContact CD1-CD1 3.57Å; L48-L82 HydrophobicContact CG-CD1 4.1Å; L48-I93 HydrophobicContact CD1-CB 4.37Å; L48-I93 HydrophobicContact CD1-CD1 4.44Å; L48-I93 HydrophobicContact CD1-CG2 3.57Å; L48-F95 HydrophobicContact CD1-CD1 3.77Å; L48-F95 HydrophobicContact CD1-CE1 3.9Å; L48-F95 HydrophobicContact CD1-CG 4.39Å; L48-F95 HydrophobicContact CD2-CE1 4.27Å; L48-F95 HydrophobicContact CD2-CZ 4.45Å
49	G	96.2	Very high	91.4	Very high	33 Å²	33	80.3 Å²	80.3	34%	0.34	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	-176	-169.6	0	0	0	0	0	114.8	W78	G49-W78 CarbonylContact C-O 3.36Å; G49-W78 WeakPolarHBondContact CA-O 3.36Å
50	F	97.4	Very high	91.4	Very high	42 Å²	42	80.8 Å²	80.8	18%	0.184	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	157.7	174	-67	-83.7	0	0	0	109.8	V25 W78 F95 V97 V103	V25-F50 HydrophobicContact CG1-CE1 4.33Å; F50-W78 PolarHBondContact N-O 3.39Å; F50-W78 PolarHBondContact O-N 3.12Å; F50-F95 HydrophobicContact CE1-CD2 4.37Å; F50-F95 HydrophobicContact CE1-CE2 4.17Å; F50-F95 AromaticContact CE2-CD2 3.75Å; F50-F95 HydrophobicContact CE2-CD2 3.75Å; F50-F95 HydrophobicContact CE2-CE2 4.15Å; F50-F95 AromaticContact CZ-CD2 3.53Å; F50-F95 HydrophobicContact CZ-CD2 3.53Å; F50-F95 AromaticContact CZ-CE2 3.77Å; F50-F95 HydrophobicContact CZ-CE2 3.77Å; F50-V97 HydrophobicContact CD2-CB 4.36Å; F50-V97 HydrophobicContact CE1-CG1 4.33Å; F50-V97 HydrophobicContact CE2-CB 4.04Å; F50-V97 HydrophobicContact CZ-CB 4.21Å; F50-V97 HydrophobicContact CZ-CG1 4.31Å; F50-V103 HydrophobicContact CD2-CG1 4.39Å; F50-V103 HydrophobicContact CD2-CG2 3.75Å; F50-V103 HydrophobicContact CE2-CB 4.49Å; F50-V103 HydrophobicContact CE2-CG1 3.87Å; F50-V103 HydrophobicContact CE2-CG2 3.88Å
51	T	96.9	Very high	91.8	Very high	41 Å²	41	82 Å²	82	25%	0.252	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147.8	170.1	-178.6	0	0	0	0	110	F20 K53 G76 F77	F20-T51 HydrophobicContact CD1-CG2 4.07Å; F20-T51 HydrophobicContact CE1-CG2 4.14Å; T51-K53 WeakPolarHBondContact OG1-CB 3.43Å; T51-K53 PolarHBondContact OG1-N 3.02Å; T51-G76 CarbonylContact C-O 3.53Å; T51-G76 WeakPolarHBondContact CA-O 3.12Å; T51-G76 WeakPolarHBondContact CB-O 3.4Å; T51-G76 PolarHBondContact OG1-O 3.36Å; T51-F77 HydrophobicContact CG2-CD1 4.44Å; T51-F77 HydrophobicContact CG2-CE1 4.28Å; T51-F77 VanDerWaalsContact OG1-CD1 3.28Å; T51-F77 WeakPolarHBondContact OG1-CD1 3.43Å; T51-F77 VanDerWaalsContact OG1-CE1 3.23Å; T51-F77 WeakPolarHBondContact OG1-CE1 3.37Å
52	S	96.1	Very high	92	Very high	87 Å²	87	80.5 Å²	80.5	61%	0.608	45%	0.445	S	S	*	.	S	Bend	trans	-94.6	-0.5	169.1	60.9	0	0	0	0	112.5	G76	S52-G76 PolarHBondContact N-O 3.39Å; S52-G76 WeakPolarHBondContact OG-CA 3.27Å
53	K	95.3	Very high	92.4	Very high	102 Å²	102	77.6 Å²	77.6	44%	0.443	44%	0.437	S	S	.	.	S	Bend	trans	-85.2	143.9	174.1	-57.6	-63	-176.8	175.7	0	109.6	T51 P55 I58 S75 F77	T51-K53 WeakPolarHBondContact OG1-CB 3.43Å; T51-K53 PolarHBondContact OG1-N 3.02Å; K53-P55 VanDerWaalsContact O-CD 3.24Å; K53-P55 WeakPolarHBondContact O-CD 3.24Å; K53-I58 HydrophobicContact CB-CD1 4.33Å; K53-S75 WeakPolarHBondContact CE-O 3.36Å; K53-F77 HydrophobicContact CB-CE2 4.47Å; K53-F77 HydrophobicContact CB-CZ 3.99Å; K53-F77 HydrophobicContact CG-CD2 4.48Å; K53-F77 HydrophobicContact CG-CE2 3.74Å; K53-F77 HydrophobicContact CG-CZ 3.77Å
54	D	94.8	Very high	92.9	Very high	83 Å²	83	73.2 Å²	73.2	44%	0.444	41%	0.406	S	S	.	.			trans	-74.6	114.6	172.4	-177.9	-12.5	0	0	0	109.6	S56 R57	D54-S56 PolarHBondContact O-N 3.05Å; D54-S56 WeakPolarHBondContact OD1-CB 3.34Å; D54-S56 PolarHBondContact OD1-N 2.65Å; D54-S56 PolarHBondContact OD1-OG 3.41Å; D54-S56 PolarHBondContact OD2-OG 2.93Å; D54-S56 VanDerWaalsContact OD2-OG 3.09Å; D54-R57 HydrophobicContact CB-CG 4.13Å; D54-R57 PolarHBondContact O-N 3.33Å; D54-R57 VanDerWaalsContact O-N 3.1Å
55	P	93.7	Very high	93.2	Very high	41 Å²	41	77.5 Å²	77.5	27%	0.266	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-61.3	-26.1	-179	-23.4	35.7	0	0	0	114	F20 K53 R57 I58	F20-P55 HydrophobicContact CB-CB 3.62Å; F20-P55 HydrophobicContact CB-CG 3.62Å; F20-P55 HydrophobicContact CD1-CB 4.31Å; F20-P55 HydrophobicContact CD1-CG 4.04Å; F20-P55 HydrophobicContact CD2-CB 3.97Å; F20-P55 HydrophobicContact CG-CB 3.71Å; F20-P55 HydrophobicContact CG-CG 3.84Å; K53-P55 VanDerWaalsContact O-CD 3.24Å; K53-P55 WeakPolarHBondContact O-CD 3.24Å; P55-R57 PolarHBondContact O-N 3.01Å; P55-I58 PolarHBondContact O-N 3.33Å
56	S	92.1	Very high	93.4	Very high	101 Å²	101	80.9 Å²	80.9	71%	0.706	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-67.4	-18.6	178.5	70.8	0	0	0	0	113.1	D54	D54-S56 PolarHBondContact O-N 3.05Å; D54-S56 WeakPolarHBondContact OD1-CB 3.34Å; D54-S56 PolarHBondContact OD1-N 2.65Å; D54-S56 PolarHBondContact OD1-OG 3.41Å; D54-S56 PolarHBondContact OD2-OG 2.93Å; D54-S56 VanDerWaalsContact OD2-OG 3.09Å
57	R	92.5	Very high	93.3	Very high	211 Å²	211	79 Å²	79	80%	0.796	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-97.1	-2	179	-57.7	-179.3	68.7	-176.5	2	112.9	D54 P55	D54-R57 HydrophobicContact CB-CG 4.13Å; D54-R57 PolarHBondContact O-N 3.33Å; D54-R57 VanDerWaalsContact O-N 3.1Å; P55-R57 PolarHBondContact O-N 3.01Å
58	I	92.1	Very high	92.9	Very high	36 Å²	36	75.7 Å²	75.7	19%	0.185	41%	0.408	C	S	.	.	S	Bend	trans	-92.6	120.7	179	-56.9	175.8	0	0	0	108.3	F20 K53 P55 L63 F77	F20-I58 HydrophobicContact CE2-CD1 4.4Å; F20-I58 HydrophobicContact CZ-CD1 4.09Å; K53-I58 HydrophobicContact CB-CD1 4.33Å; P55-I58 PolarHBondContact O-N 3.33Å; I58-L63 HydrophobicContact CG2-CD2 3.73Å; I58-L63 HydrophobicContact CG2-CG 4.07Å; I58-F77 HydrophobicContact CD1-CE1 4.07Å; I58-F77 HydrophobicContact CD1-CZ 3.78Å
59	H	91.4	Very high	92.6	Very high	117 Å²	117	78.9 Å²	78.9	54%	0.542	43%	0.431	S	S	.	.			trans	-70.4	131.2	175.6	-161.9	-91.7	0	0	0	109.8	D61 S62	H59-D61 IonicContact CE1-OD2 3.59Å; H59-D61 PolarHBondContact CE1-OD2 2.83Å; H59-D61 PolarHBondContact ND1-N 2.92Å; H59-D61 IonicContact ND1-OD2 3.97Å; H59-D61 PolarHBondContact O-N 2.84Å; H59-S62 WeakPolarHBondContact O-CB 3.28Å; H59-S62 PolarHBondContact O-N 2.99Å; H59-S62 PolarHBondContact O-OG 2.76Å
60	P	88	Confident	92.3	Very high	93 Å²	93	79.9 Å²	79.9	60%	0.604	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-53.3	-40	-179.2	-29	36	0	0	0	113.5	S62 L63	P60-S62 PolarHBondContact O-N 2.91Å; P60-L63 WeakPolarHBondContact O-CB 3.23Å; P60-L63 PolarHBondContact O-N 3.13Å; P60-L63 VanDerWaalsContact O-N 3.13Å
61	D	89.3	Confident	92.1	Very high	145 Å²	145	78.4 Å²	78.4	78%	0.775	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-71.2	-13.3	179.2	-57.5	-30.1	0	0	0	114.1	H59 L63	H59-D61 IonicContact CE1-OD2 3.59Å; H59-D61 PolarHBondContact CE1-OD2 2.83Å; H59-D61 PolarHBondContact ND1-N 2.92Å; H59-D61 IonicContact ND1-OD2 3.97Å; H59-D61 PolarHBondContact O-N 2.84Å; D61-L63 VanDerWaalsContact C-N 3.34Å
62	S	90	Very high	91.9	Very high	72 Å²	72	78.9 Å²	78.9	50%	0.503	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-85.2	-9.7	174.2	72.4	0	0	0	0	112.9	H59 P60	H59-S62 WeakPolarHBondContact O-CB 3.28Å; H59-S62 PolarHBondContact O-N 2.99Å; H59-S62 PolarHBondContact O-OG 2.76Å; P60-S62 PolarHBondContact O-N 2.91Å
63	L	93.1	Very high	91.8	Very high	47 Å²	47	79.4 Å²	79.4	25%	0.246	43%	0.429	C	S	.	.	S	Bend	trans	-72.7	134.1	179.1	-70.1	171.8	0	0	0	110.8	I18 F20 I58 P60 D61 L71	I18-L63 HydrophobicContact CG2-CD2 4.47Å; F20-L63 HydrophobicContact CE2-CD1 4.12Å; F20-L63 HydrophobicContact CE2-CD2 3.85Å; F20-L63 HydrophobicContact CZ-CD2 3.92Å; I58-L63 HydrophobicContact CG2-CD2 3.73Å; I58-L63 HydrophobicContact CG2-CG 4.07Å; P60-L63 WeakPolarHBondContact O-CB 3.23Å; P60-L63 PolarHBondContact O-N 3.13Å; P60-L63 VanDerWaalsContact O-N 3.13Å; D61-L63 VanDerWaalsContact C-N 3.34Å; L63-L71 HydrophobicContact CD2-CD1 4.41Å
64	P	93.8	Very high	91.6	Very high	26 Å²	26	78.6 Å²	78.6	17%	0.169	43%	0.427	C	S	.	.			trans	-72.4	167.2	175.7	31.8	-35.3	0	0	0	111.5	I18 Y66 D70 L71	I18-P64 HydrophobicContact CD1-CG 4.11Å; I18-P64 VanDerWaalsContact CD1-O 3.26Å; I18-P64 WeakPolarHBondContact CD1-O 3.38Å; P64-Y66 VanDerWaalsContact C-N 3.28Å; P64-Y66 PolarHBondContact O-N 2.61Å; P64-D70 HydrophobicContact CB-CB 3.42Å; P64-D70 VanDerWaalsContact CB-CB 3.42Å; P64-D70 HydrophobicContact CG-CB 3.79Å; P64-L71 HydrophobicContact CG-CB 3.9Å; P64-L71 HydrophobicContact CG-CD1 4.12Å
65	K	91.7	Very high	91.6	Very high	128 Å²	128	79.4 Å²	79.4	56%	0.557	44%	0.439	S	S	*	.	S	Bend	trans	-65.1	-32.4	179.2	-63.6	-176.2	178.7	173.6	0	113	C15 N16	C15-K65 HydrophobicContact CB-CB 4.42Å; N16-K65 PolarHBondContact N-O 2.9Å; N16-K65 VanDerWaalsContact N-O 3.12Å; N16-K65 VanDerWaalsContact OD1-CA 3.32Å; N16-K65 WeakPolarHBondContact OD1-CA 3.49Å; N16-K65 WeakPolarHBondContact OD1-CG 3.33Å
66	Y	92.4	Very high	91.6	Very high	95 Å²	95	77.8 Å²	77.8	37%	0.373	43%	0.43	S	S	.	.			trans	-128.8	147.3	-175.7	-51.7	-74.1	0	0	0	112.2	F14 C15 P64 D70 L71	F14-Y66 HydrophobicContact CD2-CE1 4.39Å; F14-Y66 HydrophobicContact CE2-CE1 4.07Å; F14-Y66 WeakPolarHBondContact CE2-OH 3.4Å; C15-Y66 HydrophobicContact CB-CD1 4.05Å; C15-Y66 HydrophobicContact CB-CE1 3.45Å; C15-Y66 VanDerWaalsContact CB-CE1 3.45Å; P64-Y66 VanDerWaalsContact C-N 3.28Å; P64-Y66 PolarHBondContact O-N 2.61Å; Y66-D70 PolarHBondContact N-OD2 3.25Å; Y66-D70 WeakPolarHBondContact O-CB 3.22Å; Y66-L71 PolarHBondContact O-N 3.18Å
67	A	91.3	Very high	91.8	Very high	19 Å²	19	73.8 Å²	73.8	16%	0.157	40%	0.4	C	S	.	.	I	π-helix	trans	-69.9	-37.4	171.9	0	0	0	0	0	111.9	R47 L71 V72	R47-A67 HydrophobicContact CB-CB 4.3Å; A67-L71 VanDerWaalsContact O-CB 3.31Å; A67-L71 WeakPolarHBondContact O-CB 3.36Å; A67-L71 PolarHBondContact O-N 3.46Å; A67-L71 VanDerWaalsContact O-N 3.14Å; A67-V72 WeakPolarHBondContact O-CG2 2.92Å; A67-V72 PolarHBondContact O-N 3.37Å
68	C	88.5	Confident	92.1	Very high	40 Å²	40	71 Å²	71	27%	0.27	39%	0.389	S	S	.	.	I	π-helix	trans	-124.6	131.3	178.1	-57.2	0	0	0	0	109.4
69	P	88.2	Confident	92.3	Very high	97 Å²	97	70.7 Å²	70.7	63%	0.63	39%	0.393	S	S	*	.	I	π-helix	cis	-81.6	-17.6	-1.2	33.4	-33.8	0	0	0	113.8	L71 V72 S73	P69-L71 PolarHBondContact O-N 3.14Å; P69-V72 PolarHBondContact O-N 3.46Å; P69-S73 PolarHBondContact O-N 2.82Å
70	D	90.8	Very high	92.4	Very high	55 Å²	55	72.9 Å²	72.9	29%	0.294	40%	0.4	S	S	.	.	I	π-helix	trans	-58.4	-56	-161.4	-43.6	-29.4	0	0	0	114.2	P64 Y66 S73	P64-D70 HydrophobicContact CB-CB 3.42Å; P64-D70 VanDerWaalsContact CB-CB 3.42Å; P64-D70 HydrophobicContact CG-CB 3.79Å; Y66-D70 PolarHBondContact N-OD2 3.25Å; Y66-D70 WeakPolarHBondContact O-CB 3.22Å; D70-S73 PolarHBondContact O-N 2.82Å; D70-S73 PolarHBondContact O-OG 2.8Å
71	L	91.5	Very high	92.7	Very high	11 Å²	11	70.7 Å²	70.7	6%	0.058	39%	0.39	C	S	.	.	I	π-helix	trans	-67.3	-41.8	-178.6	-169.3	69.5	0	0	0	111.8	I18 F20 L63 P64 Y66 A67 P69 S73 Q74 F77	I18-L71 HydrophobicContact CD1-CD2 4.29Å; I18-L71 HydrophobicContact CG2-CD2 4.08Å; F20-L71 HydrophobicContact CZ-CD2 4.47Å; L63-L71 HydrophobicContact CD2-CD1 4.41Å; P64-L71 HydrophobicContact CG-CB 3.9Å; P64-L71 HydrophobicContact CG-CD1 4.12Å; Y66-L71 PolarHBondContact O-N 3.18Å; A67-L71 VanDerWaalsContact O-CB 3.31Å; A67-L71 WeakPolarHBondContact O-CB 3.36Å; A67-L71 PolarHBondContact O-N 3.46Å; A67-L71 VanDerWaalsContact O-N 3.14Å; P69-L71 PolarHBondContact O-N 3.14Å; L71-S73 PolarHBondContact O-N 2.75Å; L71-Q74 WeakPolarHBondContact O-CB 3.19Å; L71-Q74 PolarHBondContact O-N 3.16Å; L71-F77 HydrophobicContact CD1-CD1 3.88Å; L71-F77 HydrophobicContact CD1-CD2 4.31Å; L71-F77 HydrophobicContact CD1-CE1 3.84Å; L71-F77 HydrophobicContact CD1-CE2 4.25Å; L71-F77 HydrophobicContact CD1-CG 4.12Å; L71-F77 HydrophobicContact CD1-CZ 4.03Å; L71-F77 HydrophobicContact CD2-CD1 3.76Å; L71-F77 HydrophobicContact CD2-CE1 4.2Å; L71-F77 HydrophobicContact CD2-CG 4.37Å; L71-F77 HydrophobicContact CG-CB 4.15Å; L71-F77 HydrophobicContact CG-CD1 3.67Å; L71-F77 HydrophobicContact CG-CD2 4.42Å; L71-F77 HydrophobicContact CG-CE1 4.14Å; L71-F77 HydrophobicContact CG-CG 3.83Å; L71-F77 WeakPolarHBondContact O-CB 3.31Å
72	V	93.9	Very high	92.9	Very high	51 Å²	51	64.4 Å²	64.4	31%	0.309	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.2	-179.6	173.4	0	0	0	0	112.7	A67 P69 Q74 A79	A67-V72 WeakPolarHBondContact O-CG2 2.92Å; A67-V72 PolarHBondContact O-N 3.37Å; P69-V72 PolarHBondContact O-N 3.46Å; V72-Q74 PolarHBondContact O-N 3.02Å; V72-A79 HydrophobicContact CG2-CB 3.69Å
73	S	92.6	Very high	93	Very high	97 Å²	97	63.6 Å²	63.6	68%	0.678	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.5	172.2	76.9	0	0	0	0	113.3	P69 D70 L71	P69-S73 PolarHBondContact O-N 2.82Å; D70-S73 PolarHBondContact O-N 2.82Å; D70-S73 PolarHBondContact O-OG 2.8Å; L71-S73 PolarHBondContact O-N 2.75Å
74	Q	92.5	Very high	93	Very high	85 Å²	85	65.4 Å²	65.4	40%	0.397	36%	0.356	S	S	.	.	S	Bend	trans	-84.8	142	178.2	-55.6	-179.9	26.2	0	0	110.9	L71 V72 G76 F77	L71-Q74 WeakPolarHBondContact O-CB 3.19Å; L71-Q74 PolarHBondContact O-N 3.16Å; V72-Q74 PolarHBondContact O-N 3.02Å; Q74-G76 PolarHBondContact O-N 3.41Å; Q74-F77 HydrophobicContact CB-CD2 3.76Å; Q74-F77 HydrophobicContact CB-CE2 4.1Å; Q74-F77 PolarHBondContact O-N 3.38Å
75	S	93.3	Very high	92.8	Very high	101 Å²	101	69.4 Å²	69.4	71%	0.706	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	130.4	177.9	177	0	0	0	0	111.7	K53	K53-S75 WeakPolarHBondContact CE-O 3.36Å
76	G	94.8	Very high	92.9	Very high	7 Å²	7	65.7 Å²	65.7	7%	0.072	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	14.3	177	0	0	0	0	0	114.8	T51 S52 Q74 W78	T51-G76 CarbonylContact C-O 3.53Å; T51-G76 WeakPolarHBondContact CA-O 3.12Å; T51-G76 WeakPolarHBondContact CB-O 3.4Å; T51-G76 PolarHBondContact OG1-O 3.36Å; S52-G76 PolarHBondContact N-O 3.39Å; S52-G76 WeakPolarHBondContact OG-CA 3.27Å; Q74-G76 PolarHBondContact O-N 3.41Å; G76-W78 WeakPolarHBondContact O-CZ3 3.47Å
77	F	96.9	Very high	92.8	Very high	16 Å²	16	61.9 Å²	61.9	7%	0.07	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.2	173	-63.3	-88.7	0	0	0	110.9	F20 T51 K53 I58 L71 Q74	F20-F77 HydrophobicContact CE1-CD1 4.5Å; F20-F77 AromaticContact CE1-CE1 3.96Å; F20-F77 HydrophobicContact CE1-CE1 3.96Å; F20-F77 HydrophobicContact CZ-CE1 4.18Å; T51-F77 HydrophobicContact CG2-CD1 4.44Å; T51-F77 HydrophobicContact CG2-CE1 4.28Å; T51-F77 VanDerWaalsContact OG1-CD1 3.28Å; T51-F77 WeakPolarHBondContact OG1-CD1 3.43Å; T51-F77 VanDerWaalsContact OG1-CE1 3.23Å; T51-F77 WeakPolarHBondContact OG1-CE1 3.37Å; K53-F77 HydrophobicContact CB-CE2 4.47Å; K53-F77 HydrophobicContact CB-CZ 3.99Å; K53-F77 HydrophobicContact CG-CD2 4.48Å; K53-F77 HydrophobicContact CG-CE2 3.74Å; K53-F77 HydrophobicContact CG-CZ 3.77Å; I58-F77 HydrophobicContact CD1-CE1 4.07Å; I58-F77 HydrophobicContact CD1-CZ 3.78Å; L71-F77 HydrophobicContact CD1-CD1 3.88Å; L71-F77 HydrophobicContact CD1-CD2 4.31Å; L71-F77 HydrophobicContact CD1-CE1 3.84Å; L71-F77 HydrophobicContact CD1-CE2 4.25Å; L71-F77 HydrophobicContact CD1-CG 4.12Å; L71-F77 HydrophobicContact CD1-CZ 4.03Å; L71-F77 HydrophobicContact CD2-CD1 3.76Å; L71-F77 HydrophobicContact CD2-CE1 4.2Å; L71-F77 HydrophobicContact CD2-CG 4.37Å; L71-F77 HydrophobicContact CG-CB 4.15Å; L71-F77 HydrophobicContact CG-CD1 3.67Å; L71-F77 HydrophobicContact CG-CD2 4.42Å; L71-F77 HydrophobicContact CG-CE1 4.14Å; L71-F77 HydrophobicContact CG-CG 3.83Å; L71-F77 WeakPolarHBondContact O-CB 3.31Å; Q74-F77 HydrophobicContact CB-CD2 3.76Å; Q74-F77 HydrophobicContact CB-CE2 4.1Å; Q74-F77 PolarHBondContact O-N 3.38Å
78	W	97.1	Very high	92.9	Very high	152 Å²	152	64 Å²	64	58%	0.576	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	120.4	176.9	-57.8	-87.5	0	0	0	108.7	G49 F50 G76	G49-W78 CarbonylContact C-O 3.36Å; G49-W78 WeakPolarHBondContact CA-O 3.36Å; F50-W78 PolarHBondContact N-O 3.39Å; F50-W78 PolarHBondContact O-N 3.12Å; G76-W78 WeakPolarHBondContact O-CZ3 3.47Å
79	A	96.6	Very high	93.2	Very high	31 Å²	31	67.3 Å²	67.3	26%	0.256	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	153.3	176.7	0	0	0	0	0	111	L48 V72	L48-A79 CarbonylContact O-C 3.4Å; L48-A79 WeakPolarHBondContact O-CA 3.35Å; V72-A79 HydrophobicContact CG2-CB 3.69Å
80	K	94.3	Very high	93.5	Very high	163 Å²	163	65 Å²	65	71%	0.709	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	140.6	176.9	-168.6	170.4	-179.7	174.3	0	110.2	R47 L48	R47-K80 WeakPolarHBondContact CA-O 3.26Å; L48-K80 PolarHBondContact N-O 2.64Å; L48-K80 PolarHBondContact O-N 2.87Å
81	A	94.8	Very high	93.7	Very high	46 Å²	46	63.8 Å²	63.8	38%	0.38	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	129	169.1	0	0	0	0	0	109.7	A45 R47	A45-A81 HydrophobicContact CB-CB 3.76Å; R47-A81 HydrophobicContact CG-CB 4.26Å
82	L	93.6	Very high	94	Very high	14 Å²	14	65.3 Å²	65.3	7%	0.073	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-87.2	150.2	169.4	-66.1	-175	0	0	0	110.3	A45 L46 L48 F86 I93	A45-L82 WeakPolarHBondContact CB-O 3.09Å; L46-L82 PolarHBondContact O-N 3.23Å; L48-L82 HydrophobicContact CD1-CD1 3.57Å; L48-L82 HydrophobicContact CG-CD1 4.1Å; L82-F86 HydrophobicContact CB-CD2 4.21Å; L82-I93 HydrophobicContact CD1-CD1 3.86Å; L82-I93 HydrophobicContact CD1-CG2 3.84Å
83	P	92.4	Very high	94.1	Very high	54 Å²	54	62.9 Å²	62.9	35%	0.351	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-49.4	140.6	168.3	-25.4	32.7	0	0	0	112.3	E85 F86	P83-E85 HydrophobicContact CB-CG 4.16Å; P83-E85 WeakPolarHBondContact CB-OE1 3.49Å; P83-E85 WeakPolarHBondContact CB-OE2 3.47Å; P83-E85 PolarHBondContact O-N 3.12Å; P83-F86 HydrophobicContact CB-CD1 4.48Å; P83-F86 HydrophobicContact CB-CD2 4.21Å; P83-F86 HydrophobicContact CB-CE1 4.45Å; P83-F86 HydrophobicContact CB-CE2 4.2Å; P83-F86 HydrophobicContact CB-CG 4.34Å; P83-F86 HydrophobicContact CB-CZ 4.3Å; P83-F86 HydrophobicContact CG-CD2 4.02Å; P83-F86 HydrophobicContact CG-CE2 3.66Å; P83-F86 HydrophobicContact CG-CZ 3.95Å; P83-F86 WeakPolarHBondContact O-CB 3.11Å; P83-F86 PolarHBondContact O-N 2.79Å; P83-F86 VanDerWaalsContact O-N 3.07Å
84	E	91.7	Very high	94.4	Very high	85 Å²	85	58.3 Å²	58.3	40%	0.397	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-65	-27.6	-172	-63.5	-164.7	-171.3	0	0	112.9	G44 F86 A87	G44-E84 WeakPolarHBondContact CA-OE1 3.37Å; G44-E84 VanDerWaalsContact N-CD 3.35Å; G44-E84 PolarHBondContact N-OE1 3.21Å; G44-E84 PolarHBondContact N-OE2 3.35Å; E84-F86 PolarHBondContact O-N 2.67Å; E84-A87 PolarHBondContact O-N 3.44Å; E84-A87 VanDerWaalsContact O-N 3.12Å
85	E	90.8	Very high	94.6	Very high	110 Å²	110	55 Å²	55	51%	0.514	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-63.4	-22.6	175.7	63.9	-90.6	-150.7	0	0	113	P83 A87 N88	P83-E85 HydrophobicContact CB-CG 4.16Å; P83-E85 WeakPolarHBondContact CB-OE1 3.49Å; P83-E85 WeakPolarHBondContact CB-OE2 3.47Å; P83-E85 PolarHBondContact O-N 3.12Å; E85-A87 VanDerWaalsContact C-N 3.29Å; E85-N88 VanDerWaalsContact O-CG 3.31Å; E85-N88 PolarHBondContact O-ND2 3.4Å
86	F	91.9	Very high	94.9	Very high	50 Å²	50	52.7 Å²	52.7	22%	0.219	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-78.3	-18	177.4	-63.1	-7.2	0	0	0	112.3	L82 P83 E84 N88 H105 I107	L82-F86 HydrophobicContact CB-CD2 4.21Å; P83-F86 HydrophobicContact CB-CD1 4.48Å; P83-F86 HydrophobicContact CB-CD2 4.21Å; P83-F86 HydrophobicContact CB-CE1 4.45Å; P83-F86 HydrophobicContact CB-CE2 4.2Å; P83-F86 HydrophobicContact CB-CG 4.34Å; P83-F86 HydrophobicContact CB-CZ 4.3Å; P83-F86 HydrophobicContact CG-CD2 4.02Å; P83-F86 HydrophobicContact CG-CE2 3.66Å; P83-F86 HydrophobicContact CG-CZ 3.95Å; P83-F86 WeakPolarHBondContact O-CB 3.11Å; P83-F86 PolarHBondContact O-N 2.79Å; P83-F86 VanDerWaalsContact O-N 3.07Å; E84-F86 PolarHBondContact O-N 2.67Å; F86-N88 VanDerWaalsContact C-N 3.26Å; F86-N88 PolarHBondContact O-N 2.83Å; F86-H105 AromaticContact CE2-NE2 3.82Å; F86-I107 HydrophobicContact CB-CD1 3.68Å; F86-I107 HydrophobicContact CB-CG1 4.02Å; F86-I107 HydrophobicContact CD1-CD1 4.39Å; F86-I107 HydrophobicContact CD1-CG1 3.76Å; F86-I107 HydrophobicContact CD2-CD1 3.63Å; F86-I107 HydrophobicContact CD2-CG1 3.58Å; F86-I107 HydrophobicContact CE1-CG1 4.11Å; F86-I107 HydrophobicContact CE2-CD1 4.35Å; F86-I107 HydrophobicContact CE2-CG1 3.91Å; F86-I107 HydrophobicContact CG-CD1 3.67Å; F86-I107 HydrophobicContact CG-CG1 3.52Å; F86-I107 HydrophobicContact CZ-CG1 4.19Å
87	A	91.9	Very high	95	Very high	16 Å²	16	53.3 Å²	53.3	13%	0.132	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-92.2	28.3	178.7	0	0	0	0	0	112.7	K38 L46 E84 E85	K38-A87 WeakPolarHBondContact CD-O 3.42Å; L46-A87 HydrophobicContact CB-CB 4.22Å; E84-A87 PolarHBondContact O-N 3.44Å; E84-A87 VanDerWaalsContact O-N 3.12Å; E85-A87 VanDerWaalsContact C-N 3.29Å
88	N	92.8	Very high	95.1	Very high	62 Å²	62	52.8 Å²	52.8	33%	0.332	27%	0.274	S	S	.	.	S	Bend	trans	-83.8	146.6	177.2	-74.7	-28.1	0	0	0	112	I35 K38 E85 F86 G90 N91	I35-N88 WeakPolarHBondContact CB-O 3.22Å; K38-N88 PolarHBondContact NZ-OD1 3.1Å; E85-N88 VanDerWaalsContact O-CG 3.31Å; E85-N88 PolarHBondContact O-ND2 3.4Å; F86-N88 VanDerWaalsContact C-N 3.26Å; F86-N88 PolarHBondContact O-N 2.83Å; N88-G90 PolarHBondContact O-N 3.37Å; N88-N91 VanDerWaalsContact O-CB 3.28Å; N88-N91 WeakPolarHBondContact O-CB 3.38Å; N88-N91 PolarHBondContact O-N 3.25Å; N88-N91 VanDerWaalsContact O-N 3.1Å
89	E	94.7	Very high	95.1	Very high	111 Å²	111	53.7 Å²	53.7	52%	0.519	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	138.9	179.3	-61.9	-169	177.9	0	0	111.5	K37 K38 N91	K37-E89 VanDerWaalsContact CA-OE1 3.31Å; K37-E89 WeakPolarHBondContact CA-OE1 3.35Å; K38-E89 HydrophobicContact CB-CG 3.82Å; K38-E89 PolarHBondContact N-OE1 3.1Å; E89-N91 VanDerWaalsContact C-N 3.26Å; E89-N91 PolarHBondContact O-N 3.27Å
90	G	94.5	Very high	95.1	Very high	48 Å²	48	60.2 Å²	60.2	50%	0.495	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-18.2	-176.6	0	0	0	0	0	114.7	I35 N88	I35-G90 PolarHBondContact O-N 3.24Å; N88-G90 PolarHBondContact O-N 3.37Å
91	N	95.9	Very high	95.1	Very high	29 Å²	29	55.1 Å²	55.1	16%	0.155	30%	0.298	C	S	.	.			trans	-67.1	147.4	179.3	-78.4	-132.1	0	0	0	111.5	K34 I35 N88 E89 I107 N108	K34-N91 WeakPolarHBondContact CA-O 3.13Å; I35-N91 HydrophobicContact CG1-CB 4.48Å; I35-N91 PolarHBondContact N-O 3.18Å; N88-N91 VanDerWaalsContact O-CB 3.28Å; N88-N91 WeakPolarHBondContact O-CB 3.38Å; N88-N91 PolarHBondContact O-N 3.25Å; N88-N91 VanDerWaalsContact O-N 3.1Å; E89-N91 VanDerWaalsContact C-N 3.26Å; E89-N91 PolarHBondContact O-N 3.27Å; N91-I107 HydrophobicContact CB-CG2 4.2Å; N91-I107 WeakPolarHBondContact OD1-CG2 3.44Å; N91-N108 WeakPolarHBondContact CA-OD1 3.33Å; N91-N108 VanDerWaalsContact CB-OD1 3.27Å; N91-N108 WeakPolarHBondContact CB-OD1 3.31Å; N91-N108 PolarHBondContact OD1-ND2 3.37Å; N91-N108 PolarHBondContact OD1-OD1 3.24Å
92	I	97	Very high	95.2	Very high	44 Å²	44	59.2 Å²	59.2	23%	0.226	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113.9	174.9	-60	174.1	0	0	0	108.7	R32 L33 K34 I107 N108	R32-I92 HydrophobicContact CB-CG2 4.35Å; L33-I92 CarbonylContact O-C 3.53Å; L33-I92 WeakPolarHBondContact O-CA 3.47Å; K34-I92 HydrophobicContact CB-CG1 4.25Å; K34-I92 HydrophobicContact CG-CG1 4.14Å; I92-I107 CarbonylContact O-C 3.59Å; I92-I107 WeakPolarHBondContact O-CA 3.22Å; I92-N108 PolarHBondContact N-OD1 2.76Å; I92-N108 PolarHBondContact O-N 3.35Å
93	I	96.9	Very high	95.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115.3	177.7	-46	-176.4	0	0	0	108	R32 L33 I35 L46 L48 L82 R106 I107	R32-I93 CarbonylContact C-O 3.51Å; R32-I93 WeakPolarHBondContact CA-O 3.38Å; L33-I93 PolarHBondContact N-O 3.07Å; L33-I93 PolarHBondContact O-N 3.44Å; I35-I93 HydrophobicContact CD1-CD1 4.1Å; I35-I93 HydrophobicContact CG1-CD1 4.39Å; L46-I93 HydrophobicContact CD2-CD1 3.62Å; L48-I93 HydrophobicContact CD1-CB 4.37Å; L48-I93 HydrophobicContact CD1-CD1 4.44Å; L48-I93 HydrophobicContact CD1-CG2 3.57Å; L82-I93 HydrophobicContact CD1-CD1 3.86Å; L82-I93 HydrophobicContact CD1-CG2 3.84Å; I93-R106 CarbonylContact C-O 3.55Å; I93-R106 WeakPolarHBondContact CA-O 3.21Å; I93-I107 HydrophobicContact CB-CD1 4.05Å; I93-I107 HydrophobicContact CD1-CD1 4.3Å; I93-I107 HydrophobicContact CG1-CD1 3.75Å; I93-I107 HydrophobicContact CG2-CD1 3.7Å
94	A	97.4	Very high	95.6	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.008	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.1	169.1	0	0	0	0	0	109.4	V31 R32 H105 R106	V31-A94 CarbonylContact O-C 3.6Å; V31-A94 VanDerWaalsContact O-CA 3.27Å; V31-A94 WeakPolarHBondContact O-CA 3.26Å; R32-A94 HydrophobicContact CG-CB 4.09Å; A94-H105 CarbonylContact O-C 3.56Å; A94-H105 WeakPolarHBondContact O-CA 3.44Å; A94-R106 HydrophobicContact CB-CB 4.49Å; A94-R106 PolarHBondContact N-O 2.86Å; A94-R106 PolarHBondContact O-N 3.45Å
95	F	97.8	Very high	95.8	Very high	16 Å²	16	63.9 Å²	63.9	7%	0.07	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	148.9	173.7	65	-78	0	0	0	111.5	V31 L33 L48 F50 F104 H105	V31-F95 HydrophobicContact CB-CD1 4.16Å; V31-F95 HydrophobicContact CB-CE1 3.69Å; V31-F95 HydrophobicContact CB-CE2 4.08Å; V31-F95 HydrophobicContact CB-CZ 3.66Å; V31-F95 HydrophobicContact CG1-CD1 4.49Å; V31-F95 HydrophobicContact CG1-CE1 3.6Å; V31-F95 HydrophobicContact CG1-CE2 4.42Å; V31-F95 HydrophobicContact CG1-CZ 3.56Å; V31-F95 HydrophobicContact CG2-CE2 4.36Å; V31-F95 HydrophobicContact CG2-CZ 4.28Å; V31-F95 PolarHBondContact N-O 3.01Å; V31-F95 PolarHBondContact O-N 2.88Å; L33-F95 HydrophobicContact CD1-CE1 3.68Å; L33-F95 HydrophobicContact CD1-CZ 4.32Å; L33-F95 HydrophobicContact CG-CE1 4.01Å; L48-F95 HydrophobicContact CD1-CD1 3.77Å; L48-F95 HydrophobicContact CD1-CE1 3.9Å; L48-F95 HydrophobicContact CD1-CG 4.39Å; L48-F95 HydrophobicContact CD2-CE1 4.27Å; L48-F95 HydrophobicContact CD2-CZ 4.45Å; F50-F95 HydrophobicContact CE1-CD2 4.37Å; F50-F95 HydrophobicContact CE1-CE2 4.17Å; F50-F95 AromaticContact CE2-CD2 3.75Å; F50-F95 HydrophobicContact CE2-CD2 3.75Å; F50-F95 HydrophobicContact CE2-CE2 4.15Å; F50-F95 AromaticContact CZ-CD2 3.53Å; F50-F95 HydrophobicContact CZ-CD2 3.53Å; F50-F95 AromaticContact CZ-CE2 3.77Å; F50-F95 HydrophobicContact CZ-CE2 3.77Å; F95-F104 CarbonylContact C-O 3.56Å; F95-F104 WeakPolarHBondContact CA-O 3.45Å; F95-F104 WeakPolarHBondContact CB-O 3.39Å; F95-H105 HydrophobicContact CB-CB 3.95Å
96	W	98.1	Very high	96	Very high	51 Å²	51	64.5 Å²	64.5	19%	0.193	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	165.2	-177.7	65.4	97.1	0	0	0	110.7	E29 Q30 V103 F104 R106	E29-W96 VanDerWaalsContact O-CB 3.26Å; E29-W96 WeakPolarHBondContact O-CB 2.98Å; Q30-W96 HydrophobicContact CG-CB 4.27Å; Q30-W96 HydrophobicContact CG-CD2 4.12Å; Q30-W96 HydrophobicContact CG-CE3 3.84Å; Q30-W96 HydrophobicContact CG-CG 4.34Å; W96-V103 WeakPolarHBondContact O-CA 3.42Å; W96-F104 HydrophobicContact CD2-CB 3.9Å; W96-F104 VanDerWaalsContact CE2-CB 3.4Å; W96-F104 HydrophobicContact CE3-CB 4.35Å; W96-F104 HydrophobicContact CG-CB 4.45Å; W96-F104 HydrophobicContact CH2-CB 3.95Å; W96-F104 HydrophobicContact CZ2-CB 3.45Å; W96-F104 VanDerWaalsContact CZ2-CB 3.45Å; W96-F104 HydrophobicContact CZ2-CG 4.1Å; W96-F104 HydrophobicContact CZ3-CB 4.37Å; W96-F104 PolarHBondContact N-O 3.34Å; W96-F104 AromaticContact NE1-CD2 3.66Å; W96-F104 AromaticContact NE1-CG 3.87Å; W96-F104 PolarHBondContact O-N 2.68Å; W96-R106 HydrophobicContact CZ3-CB 4.4Å
97	V	98.1	Very high	96.2	Very high	21 Å²	21	64 Å²	64	13%	0.127	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.2	176.5	64.2	0	0	0	0	110.2	I27 Y28 F50 R102 V103	I27-V97 HydrophobicContact CD1-CG1 3.72Å; I27-V97 WeakPolarHBondContact CG2-O 3.46Å; Y28-V97 PolarHBondContact N-O 2.95Å; F50-V97 HydrophobicContact CD2-CB 4.36Å; F50-V97 HydrophobicContact CE1-CG1 4.33Å; F50-V97 HydrophobicContact CE2-CB 4.04Å; F50-V97 HydrophobicContact CZ-CB 4.21Å; F50-V97 HydrophobicContact CZ-CG1 4.31Å; V97-R102 CarbonylContact C-O 3.59Å; V97-R102 WeakPolarHBondContact CA-O 3.28Å; V97-V103 HydrophobicContact CB-CG2 4.42Å; V97-V103 HydrophobicContact CG2-CG2 4.26Å
98	D	97.8	Very high	95.6	Very high	5 Å²	5	68.7 Å²	68.7	3%	0.027	34%	0.344	C	S	.	.			trans	-95.4	175.4	174.4	79.6	-1.4	0	0	0	113.4	Y28 K100 G101 R102 F104	Y28-D98 HydrophobicContact CD1-CB 4.18Å; Y28-D98 HydrophobicContact CE1-CB 3.4Å; Y28-D98 VanDerWaalsContact CE1-CB 3.4Å; D98-K100 PolarHBondContact O-N 2.86Å; D98-K100 VanDerWaalsContact O-N 3.1Å; D98-K100 VanDerWaalsContact OD1-CA 3.29Å; D98-K100 WeakPolarHBondContact OD1-CA 3.27Å; D98-K100 WeakPolarHBondContact OD1-CB 3.07Å; D98-K100 PolarHBondContact OD1-N 3.32Å; D98-G101 PolarHBondContact O-N 2.88Å; D98-G101 PolarHBondContact OD1-N 2.86Å; D98-G101 VanDerWaalsContact OD1-N 3.08Å; D98-R102 PolarHBondContact N-O 3Å; D98-R102 WeakPolarHBondContact OD1-CB 3.06Å; D98-R102 PolarHBondContact OD1-N 3.33Å; D98-R102 IonicContact OD1-NE 3.73Å; D98-R102 IonicContact OD2-CZ 2.68Å; D98-R102 IonicContact OD2-NE 3.14Å; D98-R102 PolarHBondContact OD2-NE 3.25Å; D98-R102 IonicContact OD2-NH2 3.83Å; D98-R102 PolarHBondContact OD2-NH2 2.98Å; D98-F104 HydrophobicContact CB-CE2 3.95Å
99	K	97.2	Very high	95.8	Very high	170 Å²	170	69.1 Å²	69.1	74%	0.739	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.7	177.5	-75.7	174.9	177	-176.8	0	114.4	I27 Y28	I27-K99 HydrophobicContact CG2-CG 3.88Å; Y28-K99 HydrophobicContact CE2-CB 4.47Å; Y28-K99 HydrophobicContact CE2-CD 3.91Å; Y28-K99 HydrophobicContact CE2-CG 3.64Å; Y28-K99 PolarHBondContact OH-N 3.04Å
100	K	97.2	Very high	95.8	Very high	169 Å²	169	66.8 Å²	66.8	74%	0.735	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	4.3	176.9	-59.9	-173.8	179	-174.8	0	112	D98 R102	D98-K100 PolarHBondContact O-N 2.86Å; D98-K100 VanDerWaalsContact O-N 3.1Å; D98-K100 VanDerWaalsContact OD1-CA 3.29Å; D98-K100 WeakPolarHBondContact OD1-CA 3.27Å; D98-K100 WeakPolarHBondContact OD1-CB 3.07Å; D98-K100 PolarHBondContact OD1-N 3.32Å; K100-R102 VanDerWaalsContact C-N 3.29Å; K100-R102 HydrophobicContact CB-CG 4.33Å; K100-R102 PolarHBondContact O-N 3.07Å
101	G	94.8	Very high	95.9	Very high	55 Å²	55	67.9 Å²	67.9	57%	0.567	33%	0.327	S	S	*	.	S	Bend	trans	76.2	13.4	-177.2	0	0	0	0	0	114	D98	D98-G101 PolarHBondContact O-N 2.88Å; D98-G101 PolarHBondContact OD1-N 2.86Å; D98-G101 VanDerWaalsContact OD1-N 3.08Å
102	R	96.8	Very high	95.9	Very high	133 Å²	133	70.2 Å²	70.2	50%	0.502	34%	0.337	S	S	.	.			trans	-82.6	130.9	176.9	-60	179.1	-64.6	174.7	4.2	109.5	V97 D98 K100 F104	V97-R102 CarbonylContact C-O 3.59Å; V97-R102 WeakPolarHBondContact CA-O 3.28Å; D98-R102 PolarHBondContact N-O 3Å; D98-R102 WeakPolarHBondContact OD1-CB 3.06Å; D98-R102 PolarHBondContact OD1-N 3.33Å; D98-R102 IonicContact OD1-NE 3.73Å; D98-R102 IonicContact OD2-CZ 2.68Å; D98-R102 IonicContact OD2-NE 3.14Å; D98-R102 PolarHBondContact OD2-NE 3.25Å; D98-R102 IonicContact OD2-NH2 3.83Å; D98-R102 PolarHBondContact OD2-NH2 2.98Å; K100-R102 VanDerWaalsContact C-N 3.29Å; K100-R102 HydrophobicContact CB-CG 4.33Å; K100-R102 PolarHBondContact O-N 3.07Å; R102-F104 HydrophobicContact CB-CE2 3.77Å; R102-F104 HydrophobicContact CB-CZ 4.02Å; R102-F104 WeakPolarHBondContact O-CD2 3.18Å; R102-F104 WeakPolarHBondContact O-CE2 3.32Å
103	V	96.8	Very high	95.8	Very high	80 Å²	80	71.8 Å²	71.8	49%	0.485	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.3	178.4	177.3	0	0	0	0	110	F50 W96 V97	F50-V103 HydrophobicContact CD2-CG1 4.39Å; F50-V103 HydrophobicContact CD2-CG2 3.75Å; F50-V103 HydrophobicContact CE2-CB 4.49Å; F50-V103 HydrophobicContact CE2-CG1 3.87Å; F50-V103 HydrophobicContact CE2-CG2 3.88Å; W96-V103 WeakPolarHBondContact O-CA 3.42Å; V97-V103 HydrophobicContact CB-CG2 4.42Å; V97-V103 HydrophobicContact CG2-CG2 4.26Å
104	F	96.8	Very high	95.8	Very high	77 Å²	77	76.6 Å²	76.6	34%	0.338	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	151	176.1	-59.3	-91.2	0	0	0	109.2	F95 W96 D98 R102	F95-F104 CarbonylContact C-O 3.56Å; F95-F104 WeakPolarHBondContact CA-O 3.45Å; F95-F104 WeakPolarHBondContact CB-O 3.39Å; W96-F104 HydrophobicContact CD2-CB 3.9Å; W96-F104 VanDerWaalsContact CE2-CB 3.4Å; W96-F104 HydrophobicContact CE3-CB 4.35Å; W96-F104 HydrophobicContact CG-CB 4.45Å; W96-F104 HydrophobicContact CH2-CB 3.95Å; W96-F104 HydrophobicContact CZ2-CB 3.45Å; W96-F104 VanDerWaalsContact CZ2-CB 3.45Å; W96-F104 HydrophobicContact CZ2-CG 4.1Å; W96-F104 HydrophobicContact CZ3-CB 4.37Å; W96-F104 PolarHBondContact N-O 3.34Å; W96-F104 AromaticContact NE1-CD2 3.66Å; W96-F104 AromaticContact NE1-CG 3.87Å; W96-F104 PolarHBondContact O-N 2.68Å; D98-F104 HydrophobicContact CB-CE2 3.95Å; R102-F104 HydrophobicContact CB-CE2 3.77Å; R102-F104 HydrophobicContact CB-CZ 4.02Å; R102-F104 WeakPolarHBondContact O-CD2 3.18Å; R102-F104 WeakPolarHBondContact O-CE2 3.32Å
105	H	95.9	Very high	95.6	Very high	94 Å²	94	82 Å²	82	44%	0.435	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	158.8	173	69.8	-74.5	0	0	0	111	F86 A94 F95	F86-H105 AromaticContact CE2-NE2 3.82Å; A94-H105 CarbonylContact O-C 3.56Å; A94-H105 WeakPolarHBondContact O-CA 3.44Å; F95-H105 HydrophobicContact CB-CB 3.95Å
106	R	96	Very high	95.5	Very high	123 Å²	123	87.1 Å²	87.1	46%	0.464	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	144.3	175.7	-177.3	177.4	70.3	-166.6	-2.5	109	I93 A94 W96	I93-R106 CarbonylContact C-O 3.55Å; I93-R106 WeakPolarHBondContact CA-O 3.21Å; A94-R106 HydrophobicContact CB-CB 4.49Å; A94-R106 PolarHBondContact N-O 2.86Å; A94-R106 PolarHBondContact O-N 3.45Å; W96-R106 HydrophobicContact CZ3-CB 4.4Å
107	I	96	Very high	95.3	Very high	38 Å²	38	90.1 Å²	90.1	20%	0.195	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.1	174.3	-49.1	-60.1	0	0	0	108.5	F86 N91 I92 I93	F86-I107 HydrophobicContact CB-CD1 3.68Å; F86-I107 HydrophobicContact CB-CG1 4.02Å; F86-I107 HydrophobicContact CD1-CD1 4.39Å; F86-I107 HydrophobicContact CD1-CG1 3.76Å; F86-I107 HydrophobicContact CD2-CD1 3.63Å; F86-I107 HydrophobicContact CD2-CG1 3.58Å; F86-I107 HydrophobicContact CE1-CG1 4.11Å; F86-I107 HydrophobicContact CE2-CD1 4.35Å; F86-I107 HydrophobicContact CE2-CG1 3.91Å; F86-I107 HydrophobicContact CG-CD1 3.67Å; F86-I107 HydrophobicContact CG-CG1 3.52Å; F86-I107 HydrophobicContact CZ-CG1 4.19Å; N91-I107 HydrophobicContact CB-CG2 4.2Å; N91-I107 WeakPolarHBondContact OD1-CG2 3.44Å; I92-I107 CarbonylContact O-C 3.59Å; I92-I107 WeakPolarHBondContact O-CA 3.22Å; I93-I107 HydrophobicContact CB-CD1 4.05Å; I93-I107 HydrophobicContact CD1-CD1 4.3Å; I93-I107 HydrophobicContact CG1-CD1 3.75Å; I93-I107 HydrophobicContact CG2-CD1 3.7Å
108	N	79.7	Confident	95	Very high	116 Å²	116	96.4 Å²	96.4	62%	0.62	46%	0.464	S	S	*	.			trans	57.8	0	-179.6	-46	-18.3	0	0	0	111.9	N91 I92	N91-N108 WeakPolarHBondContact CA-OD1 3.33Å; N91-N108 VanDerWaalsContact CB-OD1 3.27Å; N91-N108 WeakPolarHBondContact CB-OD1 3.31Å; N91-N108 PolarHBondContact OD1-ND2 3.37Å; N91-N108 PolarHBondContact OD1-OD1 3.24Å; I92-N108 PolarHBondContact N-OD1 2.76Å; I92-N108 PolarHBondContact O-N 3.35Å

Retrieved 108 of 108 residues in 22.3 ms (Link to these results)

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