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ADP-ribosylation factor 1

Small GTPase involved in protein trafficking between different compartments¹. Modulates vesicle budding and uncoating within the Golgi complex (By similarity). In its GTP-bound form, triggers the recruitment of coatomer proteins to the Golgi membrane (By similarity). The hydrolysis of ARF1-bound GTP, which is mediated by ARFGAPs proteins, is required for dissociation of coat proteins from Golgi membranes and vesicles (By similarity). The GTP-bound form interacts with PICK1 to limit PICK1-mediated inhibition of Arp2/3 complex activity; the function is linked to AMPA receptor (AMPAR) trafficking, regulation of synaptic plasticity of excitatory synapses and spine shrinkage during long-term depression (LTD) (By similarity). Plays a key role in the regulation of intestinal stem cells and gut microbiota, and is essential for maintaining intestinal homeostasis². Also plays a critical role in mast cell expansion but not in mast cell maturation by facilitating optimal mTORC1 activation³.

AlphaFold DB , UniProt , Accession P84078, Species MOUSE (Mus musculus, Mouse), Gene Arf1, Length 181 aa.

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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	Very low	46.5	Very low	220 Å²	220	125.3 Å²	125.3	100%	1.084	70%	0.697	S	S	*	*				0	66.6	0	-69.9	-152.2	-78.4	0	0	110.3
2	G	42.3	Very low	46.5	Very low	65 Å²	65	125.8 Å²	125.8	67%	0.67	70%	0.696	S	S	*	*			trans	-102.8	-0.4	-166.3	0	0	0	0	0	116.8
3	N	51.9	Low	47	Very low	141 Å²	141	130.5 Å²	130.5	75%	0.754	71%	0.705	S	S	*	*	S	Bend	trans	-111.8	7.6	-171.6	-82.4	4	0	0	0	115.3
4	I	54.5	Low	47.8	Very low	121 Å²	121	125.6 Å²	125.6	62%	0.621	70%	0.701	S	S	*	*	S	Bend	trans	-93.2	-30.1	-179.1	-58.2	177.6	0	0	0	111.6
5	F	46.9	Very low	49	Very low	146 Å²	146	124.6 Å²	124.6	64%	0.64	69%	0.686	S	S	*	*	H	α-helix	trans	-73.1	-30.5	-179	-83.5	-85.4	0	0	0	114.1	N7 L8 F9	F5-N7 VanDerWaalsContact C-N 3.31Å; F5-N7 PolarHBondContact O-N 2.68Å; F5-L8 PolarHBondContact O-N 2.91Å; F5-F9 HydrophobicContact CD1-CE2 4.39Å; F5-F9 PolarHBondContact O-N 3.27Å
6	A	50.6	Low	50.5	Low	70 Å²	70	123.3 Å²	123.3	58%	0.579	67%	0.671	S	S	*	*	H	α-helix	trans	-69.3	-27.3	-179.7	0	0	0	0	0	113.6
7	N	43.5	Very low	52.1	Low	124 Å²	124	125.1 Å²	125.1	66%	0.663	67%	0.674	S	S	*	*	H	α-helix	trans	-89.7	-19.4	178.6	-73.7	-19.7	0	0	0	113.2	F5	F5-N7 VanDerWaalsContact C-N 3.31Å; F5-N7 PolarHBondContact O-N 2.68Å
8	L	45	Very low	53.9	Low	113 Å²	113	118.4 Å²	118.4	59%	0.592	64%	0.638	S	S	*	*	H	α-helix	trans	-81.5	-30.1	178.9	-152.5	74.3	0	0	0	112.7	F5 K10 G11	F5-L8 PolarHBondContact O-N 2.91Å; L8-K10 VanDerWaalsContact C-N 3.29Å; L8-K10 PolarHBondContact O-N 3.43Å; L8-G11 PolarHBondContact O-N 3.25Å
9	F	44.2	Very low	55.7	Low	137 Å²	137	114.8 Å²	114.8	60%	0.601	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-12.9	177	-90.6	-84.1	0	0	0	114.7	F5 G11	F5-F9 HydrophobicContact CD1-CE2 4.39Å; F5-F9 PolarHBondContact O-N 3.27Å; F9-G11 VanDerWaalsContact C-N 3.3Å
10	K	45.3	Very low	57.4	Low	172 Å²	172	109.1 Å²	109.1	75%	0.748	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-20.3	174.2	-83.6	-175.9	176.1	177.3	0	113.4	L8	L8-K10 VanDerWaalsContact C-N 3.29Å; L8-K10 PolarHBondContact O-N 3.43Å
11	G	45.8	Very low	59	Low	69 Å²	69	103.9 Å²	103.9	71%	0.711	56%	0.556	S	S	*	*	S	Bend	trans	-94.4	-6.9	-178.5	0	0	0	0	0	115.4	L8 F9	L8-G11 PolarHBondContact O-N 3.25Å; F9-G11 VanDerWaalsContact C-N 3.3Å
12	L	46.2	Very low	61.4	Low	131 Å²	131	93.4 Å²	93.4	69%	0.686	50%	0.504	S	S	*	.	S	Bend	trans	-104	-5.9	-174.3	-77.9	165.4	0	0	0	114.5	G14	L12-G14 PolarHBondContact O-N 3.29Å
13	F	53.1	Low	63.9	Low	187 Å²	187	90.3 Å²	90.3	82%	0.82	47%	0.472	S	S	*	.	S	Bend	trans	-80.7	100.3	163.6	-98.3	-94.7	0	0	0	107.7
14	G	58.1	Low	65.9	Low	62 Å²	62	83.6 Å²	83.6	64%	0.639	44%	0.437	S	S	*	.			trans	-49.5	148.7	172.4	0	0	0	0	0	111.2	L12 K16	L12-G14 PolarHBondContact O-N 3.29Å; G14-K16 PolarHBondContact O-N 3.21Å
15	K	65.4	Low	67.8	Low	111 Å²	111	78.4 Å²	78.4	48%	0.483	41%	0.41	S	S	.	.			trans	-49.6	118	174.9	-76.3	176.4	169.6	175.8	0	108.4	E17 E57	K15-E17 PolarHBondContact O-N 3.44Å; K15-E57 IonicContact NZ-OE1 3.9Å; K15-E57 PolarHBondContact NZ-OE1 3.05Å; K15-E57 IonicContact NZ-OE2 3.89Å; K15-E57 PolarHBondContact NZ-OE2 3.47Å
16	K	73.7	Confident	69.9	Low	103 Å²	103	73.5 Å²	73.5	45%	0.448	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	111.8	174.9	-173.4	169.3	169.9	-170.7	0	106.4	G14 M18	G14-K16 PolarHBondContact O-N 3.21Å; K16-M18 HydrophobicContact CB-CE 4.34Å; K16-M18 HydrophobicContact CD-CE 3.35Å; K16-M18 HydrophobicContact CD-SD 4.23Å; K16-M18 HydrophobicContact CG-CE 3.68Å; K16-M18 HydrophobicContact CG-SD 4.12Å; K16-M18 PolarHBondContact O-N 3.4Å
17	E	77.5	Confident	71.9	Confident	154 Å²	154	73.2 Å²	73.2	72%	0.72	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	126.7	172.8	-67.1	-171.8	163.2	0	0	109	K15	K15-E17 PolarHBondContact O-N 3.44Å
18	M	84	Confident	74.4	Confident	6 Å²	6	67.4 Å²	67.4	3%	0.03	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.5	177.7	-61	-73.5	-162.9	0	0	108.4	K16 I20 I61 S62 T64 Q86 L177	K16-M18 HydrophobicContact CB-CE 4.34Å; K16-M18 HydrophobicContact CD-CE 3.35Å; K16-M18 HydrophobicContact CD-SD 4.23Å; K16-M18 HydrophobicContact CG-CE 3.68Å; K16-M18 HydrophobicContact CG-SD 4.12Å; K16-M18 PolarHBondContact O-N 3.4Å; M18-I20 HydrophobicContact CB-CD1 4.43Å; M18-I61 HydrophobicContact CB-CG2 3.8Å; M18-I61 HydrophobicContact CG-CG2 3.58Å; M18-S62 PolarHBondContact N-O 3.39Å; M18-T64 PolarHBondContact O-N 3.25Å; M18-Q86 VanDerWaalsContact CA-OE1 3.3Å; M18-Q86 HydrophobicContact SD-CG 4.43Å; M18-L177 HydrophobicContact CB-CD1 4.47Å; M18-L177 HydrophobicContact CE-CB 3.83Å; M18-L177 HydrophobicContact CG-CD1 4.41Å; M18-L177 HydrophobicContact SD-CB 4.45Å
19	R	87.7	Confident	76.7	Confident	50 Å²	50	62.6 Å²	62.6	19%	0.189	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	117.1	172.9	-166.5	179.3	-173.2	-170.2	3.4	108.9	W66 Q83 N84 Q86	R19-W66 VanDerWaalsContact NE-NE1 3.15Å; R19-Q83 PolarHBondContact NH1-O 3.44Å; R19-N84 WeakPolarHBondContact CB-O 3.22Å; R19-Q86 PolarHBondContact O-N 3.45Å
20	I	89.7	Confident	79	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.7	178.1	-55.6	-59.3	0	0	0	109.1	M18 F63 T64 V65 G87 I89 L173 L177	M18-I20 HydrophobicContact CB-CD1 4.43Å; I20-F63 HydrophobicContact CB-CB 4.48Å; I20-F63 HydrophobicContact CB-CD1 4.41Å; I20-F63 HydrophobicContact CD1-CD1 4.06Å; I20-F63 HydrophobicContact CD1-CE1 4.26Å; I20-F63 HydrophobicContact CG1-CB 4.09Å; I20-F63 HydrophobicContact CG1-CD1 3.26Å; I20-F63 HydrophobicContact CG1-CE1 3.9Å; I20-F63 HydrophobicContact CG1-CG 4Å; I20-T64 PolarHBondContact N-O 3.2Å; I20-V65 WeakPolarHBondContact O-CA 3.21Å; I20-G87 CarbonylContact C-O 3.52Å; I20-G87 VanDerWaalsContact CA-O 3.26Å; I20-G87 WeakPolarHBondContact CA-O 3.24Å; I20-I89 HydrophobicContact CG2-CD1 3.74Å; I20-I89 HydrophobicContact CG2-CG1 3.69Å; I20-L173 HydrophobicContact CD1-CD2 4.21Å; I20-L173 HydrophobicContact CG2-CD2 4.36Å; I20-L177 HydrophobicContact CD1-CD1 3.62Å
21	L	91.7	Very high	81.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.8	173.8	179.8	56.5	0	0	0	108.9	V23 W66 V68 F82 T85 G87 L88 I89 M110	L21-V23 HydrophobicContact CD1-CG1 3.68Å; L21-V23 HydrophobicContact CD2-CG1 4.11Å; L21-V23 HydrophobicContact CG-CG1 3.65Å; L21-W66 HydrophobicContact CD1-CB 3.74Å; L21-V68 HydrophobicContact CD1-CG2 4.29Å; L21-F82 HydrophobicContact CD2-CD1 3.48Å; L21-F82 VanDerWaalsContact CD2-CD1 3.48Å; L21-F82 HydrophobicContact CD2-CE1 3.66Å; L21-T85 HydrophobicContact CB-CG2 3.74Å; L21-G87 PolarHBondContact N-O 2.82Å; L21-L88 HydrophobicContact CB-CD1 3.86Å; L21-L88 HydrophobicContact CD2-CD1 3.97Å; L21-L88 HydrophobicContact CG-CD1 3.85Å; L21-L88 CarbonylContact O-C 3.58Å; L21-L88 WeakPolarHBondContact O-CA 3.36Å; L21-I89 PolarHBondContact O-N 2.7Å; L21-M110 HydrophobicContact CD2-CE 3.94Å
22	M	93.2	Very high	83.4	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	115.7	173.1	-173.7	-176.5	-64.2	0	0	110	K30 I33 V65 W66 I89 V91	M22-K30 HydrophobicContact CG-CB 4.24Å; M22-K30 HydrophobicContact CG-CD 4.44Å; M22-K30 HydrophobicContact CG-CG 4.22Å; M22-K30 HydrophobicContact SD-CB 3.93Å; M22-K30 HydrophobicContact SD-CG 4.43Å; M22-I33 HydrophobicContact CE-CG2 3.82Å; M22-I33 HydrophobicContact SD-CB 4.39Å; M22-I33 HydrophobicContact SD-CG2 4.29Å; M22-V65 HydrophobicContact CB-CG1 3.51Å; M22-V65 HydrophobicContact CE-CG1 3.99Å; M22-V65 HydrophobicContact CG-CG1 4.5Å; M22-V65 HydrophobicContact SD-CG1 4.33Å; M22-W66 PolarHBondContact N-O 3.21Å; M22-I89 WeakPolarHBondContact CA-O 3.33Å; M22-I89 HydrophobicContact CB-CB 4.29Å; M22-I89 HydrophobicContact CE-CD1 4.01Å; M22-I89 HydrophobicContact CE-CG2 4.22Å; M22-I89 HydrophobicContact CG-CB 4.13Å; M22-I89 HydrophobicContact CG-CG2 4.07Å; M22-V91 HydrophobicContact CG-CG2 3.81Å; M22-V91 HydrophobicContact SD-CG2 4.09Å
23	V	93.5	Very high	85.6	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	174.3	-173.4	-66.2	0	0	0	0	110.3	L21 W78 L88 I89 F90 V91 M110	L21-V23 HydrophobicContact CD1-CG1 3.68Å; L21-V23 HydrophobicContact CD2-CG1 4.11Å; L21-V23 HydrophobicContact CG-CG1 3.65Å; V23-W78 HydrophobicContact CB-CD2 4.44Å; V23-W78 HydrophobicContact CB-CE3 4.42Å; V23-W78 HydrophobicContact CB-CH2 4.39Å; V23-W78 HydrophobicContact CB-CZ2 4.42Å; V23-W78 HydrophobicContact CB-CZ3 4.39Å; V23-W78 HydrophobicContact CG1-CD2 4.23Å; V23-W78 HydrophobicContact CG1-CG 4.42Å; V23-L88 HydrophobicContact CG2-CD1 3.57Å; V23-L88 HydrophobicContact CG2-CG 4.42Å; V23-I89 PolarHBondContact N-O 2.79Å; V23-F90 HydrophobicContact CG2-CD2 3.83Å; V23-F90 HydrophobicContact CG2-CE2 4.35Å; V23-F90 CarbonylContact O-C 3.56Å; V23-F90 WeakPolarHBondContact O-CA 3.29Å; V23-V91 PolarHBondContact O-N 3.01Å; V23-M110 HydrophobicContact CB-CE 4.37Å; V23-M110 HydrophobicContact CB-SD 4.3Å; V23-M110 HydrophobicContact CG1-CE 4.29Å; V23-M110 HydrophobicContact CG2-CE 3.6Å; V23-M110 HydrophobicContact CG2-SD 3.64Å
24	G	94.7	Very high	87.4	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.			trans	143.7	168.6	-169.3	0	0	0	0	0	109.7	K30 W78 V91	G24-K30 PolarHBondContact O-NZ 3.04Å; G24-W78 WeakPolarHBondContact O-CZ2 3.3Å; G24-V91 WeakPolarHBondContact CA-O 3.38Å
25	L	93.7	Very high	88.8	Confident	12 Å²	12	32 Å²	32	6%	0.063	16%	0.161	C	C	.	.	S	Bend	trans	-62.2	164.7	-178.2	-52.3	-169.5	0	0	0	111.9	A28 K30 R99 E102 A103 E106	L25-A28 VanDerWaalsContact O-CB 3.28Å; L25-A28 WeakPolarHBondContact O-CB 3.43Å; L25-A28 PolarHBondContact O-N 3.3Å; L25-K30 PolarHBondContact O-NZ 3.29Å; L25-R99 HydrophobicContact CD1-CB 3.79Å; L25-R99 WeakPolarHBondContact CD1-O 3.03Å; L25-E102 HydrophobicContact CD1-CB 4.29Å; L25-E102 HydrophobicContact CD1-CG 4.2Å; L25-E102 HydrophobicContact CD2-CG 4.34Å; L25-A103 HydrophobicContact CD1-CB 3.82Å; L25-A103 HydrophobicContact CD2-CB 4.39Å; L25-A103 HydrophobicContact CG-CB 3.9Å; L25-E106 HydrophobicContact CD2-CG 4.29Å
26	D	91.3	Very high	90	Very high	42 Å²	42	28.1 Å²	28.1	23%	0.225	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	152.1	169.7	57.7	-78.8	0	0	0	110.8	A28 G70 Q71 R75 R99	D26-A28 PolarHBondContact O-N 3.06Å; D26-G70 PolarHBondContact N-O 2.87Å; D26-Q71 HydrophobicContact CB-CG 4.08Å; D26-R75 IonicContact OD1-NH2 2.66Å; D26-R99 VanDerWaalsContact CG-NH1 3.33Å; D26-R99 IonicContact OD1-NH1 3.61Å; D26-R99 PolarHBondContact OD1-NH1 3.21Å; D26-R99 IonicContact OD2-CZ 2.9Å; D26-R99 IonicContact OD2-NH1 3.78Å; D26-R99 PolarHBondContact OD2-NH1 2.96Å; D26-R99 IonicContact OD2-NH2 2.68Å
27	A	92.5	Very high	90.7	Very high	65 Å²	65	24.3 Å²	24.3	54%	0.537	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	1.4	-175.4	0	0	0	0	0	116.6	G29 K127	A27-G29 PolarHBondContact O-N 2.66Å; A27-G29 VanDerWaalsContact O-N 3.13Å; A27-K127 WeakPolarHBondContact O-CE 3.36Å; A27-K127 PolarHBondContact O-NZ 3.44Å
28	A	95.6	Very high	91	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.008	11%	0.113	C	C	.	.	S	Bend	trans	-62.9	-19.1	177.7	0	0	0	0	0	114.6	L25 D26 V91 N126	L25-A28 VanDerWaalsContact O-CB 3.28Å; L25-A28 WeakPolarHBondContact O-CB 3.43Å; L25-A28 PolarHBondContact O-N 3.3Å; D26-A28 PolarHBondContact O-N 3.06Å; A28-V91 HydrophobicContact CB-CB 4.32Å; A28-V91 HydrophobicContact CB-CG1 4.09Å; A28-V91 WeakPolarHBondContact CB-O 3.4Å; A28-V91 WeakPolarHBondContact O-CG1 3.32Å; A28-N126 PolarHBondContact O-ND2 3.41Å
29	G	94.5	Very high	91	Very high	13 Å²	13	24.9 Å²	24.9	13%	0.134	13%	0.132	C	C	.	.	S	Bend	trans	101.9	15	175.2	0	0	0	0	0	115.6	A27 T31 T32 I33	A27-G29 PolarHBondContact O-N 2.66Å; A27-G29 VanDerWaalsContact O-N 3.13Å; G29-T31 PolarHBondContact O-N 2.68Å; G29-T32 WeakPolarHBondContact O-CB 3.34Å; G29-T32 PolarHBondContact O-N 3.31Å; G29-T32 VanDerWaalsContact O-N 3.17Å; G29-I33 WeakPolarHBondContact O-CG1 3.29Å; G29-I33 PolarHBondContact O-N 2.87Å
30	K	92.7	Very high	90.6	Very high	10 Å²	10	24.6 Å²	24.6	4%	0.043	15%	0.145	C	C	.	.	H	α-helix	trans	-51.1	-53.1	178	-59.5	-176.3	-61.5	-76.9	0	113.3	M22 G24 L25 T32 I33 L34 D67 V68 V91	M22-K30 HydrophobicContact CG-CB 4.24Å; M22-K30 HydrophobicContact CG-CD 4.44Å; M22-K30 HydrophobicContact CG-CG 4.22Å; M22-K30 HydrophobicContact SD-CB 3.93Å; M22-K30 HydrophobicContact SD-CG 4.43Å; G24-K30 PolarHBondContact O-NZ 3.04Å; L25-K30 PolarHBondContact O-NZ 3.29Å; K30-T32 VanDerWaalsContact C-N 3.31Å; K30-T32 PolarHBondContact O-N 3.17Å; K30-I33 WeakPolarHBondContact O-CB 3.12Å; K30-I33 PolarHBondContact O-N 3Å; K30-L34 WeakPolarHBondContact O-CB 3.43Å; K30-L34 PolarHBondContact O-N 2.99Å; K30-D67 WeakPolarHBondContact CB-OD1 3.42Å; K30-D67 VanDerWaalsContact CE-OD1 3.29Å; K30-D67 WeakPolarHBondContact CE-OD1 3.49Å; K30-V68 WeakPolarHBondContact CE-O 3.26Å; K30-V91 HydrophobicContact CG-CB 3.8Å; K30-V91 HydrophobicContact CG-CG1 4.43Å; K30-V91 HydrophobicContact CG-CG2 3.76Å
31	T	89.3	Confident	89.9	Confident	21 Å²	21	30.3 Å²	30.3	13%	0.129	17%	0.172	C	C	.	.	H	α-helix	trans	-61.9	-38.9	179.3	-41.8	0	0	0	0	111.9	G29 L34 Y35 T45 T48 D67	G29-T31 PolarHBondContact O-N 2.68Å; T31-L34 PolarHBondContact O-N 3.29Å; T31-Y35 HydrophobicContact CG2-CD2 3.78Å; T31-Y35 HydrophobicContact CG2-CE2 3.54Å; T31-Y35 VanDerWaalsContact O-CD2 3.23Å; T31-Y35 WeakPolarHBondContact O-CD2 3.36Å; T31-Y35 PolarHBondContact O-N 2.66Å; T31-T45 HydrophobicContact CG2-CG2 3.62Å; T31-T48 PolarHBondContact OG1-OG1 3.4Å; T31-T48 VanDerWaalsContact OG1-OG1 3.05Å; T31-D67 WeakPolarHBondContact CA-OD2 3.32Å; T31-D67 VanDerWaalsContact CB-OD2 3.31Å; T31-D67 WeakPolarHBondContact CB-OD2 3.46Å; T31-D67 PolarHBondContact OG1-OD2 3.42Å
32	T	92.6	Very high	88.9	Confident	23 Å²	23	34.9 Å²	34.9	14%	0.141	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-45	175.5	-46.7	0	0	0	0	111.2	G29 K30 L34 Y35 K36 A160 T161	G29-T32 WeakPolarHBondContact O-CB 3.34Å; G29-T32 PolarHBondContact O-N 3.31Å; G29-T32 VanDerWaalsContact O-N 3.17Å; K30-T32 VanDerWaalsContact C-N 3.31Å; K30-T32 PolarHBondContact O-N 3.17Å; T32-L34 VanDerWaalsContact C-N 3.35Å; T32-Y35 PolarHBondContact O-N 3.48Å; T32-K36 VanDerWaalsContact O-CB 3.24Å; T32-K36 WeakPolarHBondContact O-CB 3.25Å; T32-K36 PolarHBondContact O-N 3.1Å; T32-A160 HydrophobicContact CG2-CB 3.78Å; T32-T161 HydrophobicContact CG2-CG2 4.42Å
33	I	93.3	Very high	87.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.8	-47.8	175.2	-67.9	173.1	0	0	0	110	M22 G29 K30 Y35 K36 L37 V91 F124 A160 L166	M22-I33 HydrophobicContact CE-CG2 3.82Å; M22-I33 HydrophobicContact SD-CB 4.39Å; M22-I33 HydrophobicContact SD-CG2 4.29Å; G29-I33 WeakPolarHBondContact O-CG1 3.29Å; G29-I33 PolarHBondContact O-N 2.87Å; K30-I33 WeakPolarHBondContact O-CB 3.12Å; K30-I33 PolarHBondContact O-N 3Å; I33-Y35 PolarHBondContact O-N 2.92Å; I33-K36 PolarHBondContact O-N 3.09Å; I33-L37 HydrophobicContact CG2-CD1 3.73Å; I33-L37 HydrophobicContact CG2-CG 4.28Å; I33-L37 WeakPolarHBondContact O-CB 3.42Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.35Å; I33-L37 PolarHBondContact O-N 3.17Å; I33-V91 HydrophobicContact CD1-CG1 3.7Å; I33-V91 HydrophobicContact CD1-CG2 3.99Å; I33-F124 HydrophobicContact CD1-CB 4.4Å; I33-F124 HydrophobicContact CD1-CD2 3.88Å; I33-F124 HydrophobicContact CD1-CG 4.42Å; I33-F124 HydrophobicContact CG2-CE2 4.21Å; I33-A160 HydrophobicContact CD1-CB 4.42Å; I33-A160 HydrophobicContact CG1-CB 3.48Å; I33-A160 VanDerWaalsContact CG1-CB 3.48Å; I33-L166 HydrophobicContact CD1-CD2 4.18Å; I33-L166 HydrophobicContact CG1-CD2 3.94Å; I33-L166 HydrophobicContact CG2-CD1 4.36Å; I33-L166 HydrophobicContact CG2-CD2 3.97Å
34	L	90.4	Very high	86.9	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57	-50	-179.8	178.5	65.4	0	0	0	112	K30 T31 T32 L37 K38 E54 V56 V65 D67	K30-L34 WeakPolarHBondContact O-CB 3.43Å; K30-L34 PolarHBondContact O-N 2.99Å; T31-L34 PolarHBondContact O-N 3.29Å; T32-L34 VanDerWaalsContact C-N 3.35Å; L34-L37 PolarHBondContact O-N 3.32Å; L34-K38 VanDerWaalsContact O-CB 3.29Å; L34-K38 WeakPolarHBondContact O-CB 3.26Å; L34-K38 PolarHBondContact O-N 2.86Å; L34-E54 HydrophobicContact CD1-CB 3.62Å; L34-E54 HydrophobicContact CD1-CG 4.32Å; L34-E54 HydrophobicContact CD2-CB 3.9Å; L34-E54 HydrophobicContact CD2-CG 3.7Å; L34-E54 HydrophobicContact CG-CB 4.05Å; L34-E54 HydrophobicContact CG-CG 4.19Å; L34-V56 HydrophobicContact CD1-CG2 3.65Å; L34-V65 HydrophobicContact CD1-CB 3.73Å; L34-V65 HydrophobicContact CD1-CG1 3.77Å; L34-V65 HydrophobicContact CD1-CG2 4.21Å; L34-D67 HydrophobicContact CD2-CB 3.88Å
35	Y	88.2	Confident	85.9	Confident	61 Å²	61	46.8 Å²	46.8	24%	0.239	27%	0.268	C	S	.	.	H	α-helix	trans	-68.9	-37.4	178.2	-77.1	-61.1	0	0	0	112.8	T31 T32 I33 L37 K38 L39 V43 T45	T31-Y35 HydrophobicContact CG2-CD2 3.78Å; T31-Y35 HydrophobicContact CG2-CE2 3.54Å; T31-Y35 VanDerWaalsContact O-CD2 3.23Å; T31-Y35 WeakPolarHBondContact O-CD2 3.36Å; T31-Y35 PolarHBondContact O-N 2.66Å; T32-Y35 PolarHBondContact O-N 3.48Å; I33-Y35 PolarHBondContact O-N 2.92Å; Y35-L37 VanDerWaalsContact C-N 3.28Å; Y35-L37 PolarHBondContact O-N 3.49Å; Y35-K38 PolarHBondContact O-N 3.39Å; Y35-L39 HydrophobicContact CD1-CD1 3.74Å; Y35-L39 HydrophobicContact CD1-CG 4.34Å; Y35-L39 HydrophobicContact CE1-CD1 4.46Å; Y35-L39 WeakPolarHBondContact O-CB 3.4Å; Y35-L39 PolarHBondContact O-N 3.48Å; Y35-V43 HydrophobicContact CD1-CG2 4.45Å; Y35-V43 HydrophobicContact CD2-CB 4.43Å; Y35-V43 HydrophobicContact CG-CB 4.3Å; Y35-V43 HydrophobicContact CG-CG2 4.26Å; Y35-T45 HydrophobicContact CD2-CG2 4.18Å
36	K	90.7	Very high	84.8	Confident	30 Å²	30	53 Å²	53	13%	0.13	30%	0.3	C	S	.	.	H	α-helix	trans	-59.1	-43	174.9	-174.1	69.1	177.1	-165.8	0	111.3	T32 I33 G40 A160 T161 S162 L166	T32-K36 VanDerWaalsContact O-CB 3.24Å; T32-K36 WeakPolarHBondContact O-CB 3.25Å; T32-K36 PolarHBondContact O-N 3.1Å; I33-K36 PolarHBondContact O-N 3.09Å; K36-G40 WeakPolarHBondContact O-CA 3.42Å; K36-G40 PolarHBondContact O-N 2.98Å; K36-A160 WeakPolarHBondContact CG-O 3.45Å; K36-T161 PolarHBondContact NZ-O 3.17Å; K36-S162 WeakPolarHBondContact CE-O 3.48Å; K36-S162 PolarHBondContact NZ-O 2.88Å; K36-L166 HydrophobicContact CB-CD1 4.17Å; K36-L166 HydrophobicContact CG-CD1 3.84Å
37	L	87.5	Confident	83.9	Confident	22 Å²	22	55.8 Å²	55.8	12%	0.115	32%	0.321	C	S	.	.	H	α-helix	trans	-71.4	-38	177.8	-68.2	172	0	0	0	112.8	I33 L34 Y35 V56 L166 Y167 L170	I33-L37 HydrophobicContact CG2-CD1 3.73Å; I33-L37 HydrophobicContact CG2-CG 4.28Å; I33-L37 WeakPolarHBondContact O-CB 3.42Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.35Å; I33-L37 PolarHBondContact O-N 3.17Å; L34-L37 PolarHBondContact O-N 3.32Å; Y35-L37 VanDerWaalsContact C-N 3.28Å; Y35-L37 PolarHBondContact O-N 3.49Å; L37-V56 HydrophobicContact CB-CG1 3.78Å; L37-L166 HydrophobicContact CD2-CB 4.17Å; L37-L166 HydrophobicContact CD2-CD1 4.33Å; L37-L166 HydrophobicContact CG-CD1 4.44Å; L37-Y167 HydrophobicContact CD2-CD1 4.4Å; L37-Y167 HydrophobicContact CD2-CE1 4.04Å; L37-L170 HydrophobicContact CD1-CD1 3.8Å; L37-L170 HydrophobicContact CD2-CD1 3.45Å; L37-L170 VanDerWaalsContact CD2-CD1 3.45Å; L37-L170 HydrophobicContact CG-CD1 4.24Å
38	K	84	Confident	82.8	Confident	88 Å²	88	54.1 Å²	54.1	38%	0.383	30%	0.303	S	S	.	.	H	α-helix	trans	-76.9	-42.1	-176.8	-175.9	175.3	172.2	-176.8	0	113.2	L34 Y35 E54 V56	L34-K38 VanDerWaalsContact O-CB 3.29Å; L34-K38 WeakPolarHBondContact O-CB 3.26Å; L34-K38 PolarHBondContact O-N 2.86Å; Y35-K38 PolarHBondContact O-N 3.39Å; K38-E54 HydrophobicContact CD-CB 4.41Å; K38-E54 HydrophobicContact CD-CG 4.44Å; K38-E54 IonicContact NZ-OE1 2.72Å; K38-E54 PolarHBondContact NZ-OE1 3.4Å; K38-E54 IonicContact NZ-OE2 3.76Å; K38-E54 PolarHBondContact NZ-OE2 3.03Å; K38-V56 HydrophobicContact CB-CG2 4.35Å
39	L	84.6	Confident	81.6	Confident	84 Å²	84	61.7 Å²	61.7	44%	0.44	34%	0.342	S	S	.	.	H	α-helix	trans	-110.9	-15.2	-169.6	-55.6	177.4	0	0	0	113	Y35 E41 V43	Y35-L39 HydrophobicContact CD1-CD1 3.74Å; Y35-L39 HydrophobicContact CD1-CG 4.34Å; Y35-L39 HydrophobicContact CE1-CD1 4.46Å; Y35-L39 WeakPolarHBondContact O-CB 3.4Å; Y35-L39 PolarHBondContact O-N 3.48Å; L39-E41 HydrophobicContact CB-CG 3.88Å; L39-E41 PolarHBondContact O-N 3.08Å; L39-V43 HydrophobicContact CD1-CG2 3.81Å
40	G	79	Confident	80.5	Confident	45 Å²	45	62.3 Å²	62.3	46%	0.464	35%	0.348	S	S	.	.	S	Bend	trans	75.3	-6.6	-173.6	0	0	0	0	0	114.3	K36	K36-G40 WeakPolarHBondContact O-CA 3.42Å; K36-G40 PolarHBondContact O-N 2.98Å
41	E	74.5	Confident	79.6	Confident	120 Å²	120	66.7 Å²	66.7	56%	0.561	37%	0.368	S	S	*	.	S	Bend	trans	-119.8	164.2	-177.2	65.1	-175	164.1	0	0	112.7	L39	L39-E41 HydrophobicContact CB-CG 3.88Å; L39-E41 PolarHBondContact O-N 3.08Å
42	I	71.5	Confident	78.8	Confident	95 Å²	95	67.7 Å²	67.7	49%	0.487	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-88.9	120.2	177.5	-52.7	169.5	0	0	0	108.1	T161	I42-T161 HydrophobicContact CD1-CG2 4.47Å; I42-T161 WeakPolarHBondContact CD1-O 3.37Å; I42-T161 WeakPolarHBondContact CG1-O 3.43Å
43	V	70.7	Confident	78	Confident	50 Å²	50	69 Å²	69	30%	0.303	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-101.4	135	169.8	-175.6	0	0	0	0	108.6	Y35 L39 T45	Y35-V43 HydrophobicContact CD1-CG2 4.45Å; Y35-V43 HydrophobicContact CD2-CB 4.43Å; Y35-V43 HydrophobicContact CG-CB 4.3Å; Y35-V43 HydrophobicContact CG-CG2 4.26Å; L39-V43 HydrophobicContact CD1-CG2 3.81Å; V43-T45 PolarHBondContact O-N 2.96Å
44	T	73.5	Confident	77.4	Confident	143 Å²	143	70.6 Å²	70.6	88%	0.877	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-64.8	119.2	170.8	39.8	0	0	0	0	109.6
45	T	73.1	Confident	76.9	Confident	58 Å²	58	74 Å²	74	36%	0.356	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-103.8	138.1	-177.1	56.2	0	0	0	0	111.1	T31 Y35 V43	T31-T45 HydrophobicContact CG2-CG2 3.62Å; Y35-T45 HydrophobicContact CD2-CG2 4.18Å; V43-T45 PolarHBondContact O-N 2.96Å
46	I	71.4	Confident	76.6	Confident	143 Å²	143	71.4 Å²	71.4	73%	0.733	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-94.4	160.4	162.2	57.6	171.7	0	0	0	109.7	T48	I46-T48 PolarHBondContact O-N 3.21Å; I46-T48 VanDerWaalsContact O-N 3.17Å
47	P	72.9	Confident	76.1	Confident	100 Å²	100	75.7 Å²	75.7	65%	0.649	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-52.9	123	174.2	-26.9	35.3	0	0	0	112	I49	P47-I49 PolarHBondContact O-N 3.19Å
48	T	69.1	Low	75.8	Confident	29 Å²	29	76.1 Å²	76.1	18%	0.178	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-63.6	123.6	180	-49.8	0	0	0	0	110.8	T31 I46	T31-T48 PolarHBondContact OG1-OG1 3.4Å; T31-T48 VanDerWaalsContact OG1-OG1 3.05Å; I46-T48 PolarHBondContact O-N 3.21Å; I46-T48 VanDerWaalsContact O-N 3.17Å
49	I	69.6	Low	75.5	Confident	161 Å²	161	77.8 Å²	77.8	83%	0.826	43%	0.427	S	S	*	.	S	Bend	trans	-91.6	112.7	171.4	-59.1	175.2	0	0	0	107.5	P47	P47-I49 PolarHBondContact O-N 3.19Å
50	G	72.6	Confident	74.7	Confident	25 Å²	25	79 Å²	79	26%	0.258	43%	0.434	S	S	.	.	S	Bend	trans	84.7	-119.3	-179.2	0	0	0	0	0	112.7	G69	G50-G69 PolarHBondContact O-N 3.09Å
51	F	73.6	Confident	74.2	Confident	103 Å²	103	77.1 Å²	77.1	45%	0.452	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	147.4	-176.7	73.9	-80.4	0	0	0	111.5	V53 W66 D67 V68 Y81	F51-V53 HydrophobicContact CD2-CG2 3.56Å; F51-V53 HydrophobicContact CE2-CG2 3.5Å; F51-W66 AromaticContact CD2-CE3 3.91Å; F51-W66 HydrophobicContact CD2-CE3 3.91Å; F51-W66 HydrophobicContact CD2-CZ3 4.04Å; F51-W66 HydrophobicContact CE2-CE3 4.09Å; F51-W66 AromaticContact CE2-CZ3 3.72Å; F51-W66 HydrophobicContact CE2-CZ3 3.72Å; F51-D67 CarbonylContact C-O 3.57Å; F51-D67 WeakPolarHBondContact CA-O 3.2Å; F51-V68 HydrophobicContact CB-CG1 4.3Å; F51-V68 HydrophobicContact CB-CG2 4.41Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.47Å; F51-Y81 HydrophobicContact CD2-CE1 4.14Å; F51-Y81 VanDerWaalsContact CE1-OH 3.28Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.29Å; F51-Y81 HydrophobicContact CE2-CE1 4.3Å; F51-Y81 HydrophobicContact CG-CE1 4.41Å; F51-Y81 AromaticContact CG-CZ 3.86Å; F51-Y81 WeakPolarHBondContact CG-OH 3.47Å
52	N	72.4	Confident	74	Confident	42 Å²	42	71.8 Å²	71.8	23%	0.225	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.6	169.9	-170.8	32.8	0	0	0	109.2	E54 W66 D67	N52-E54 VanDerWaalsContact ND2-CG 3.3Å; N52-E54 WeakPolarHBondContact ND2-CG 2.98Å; N52-W66 CarbonylContact O-C 3.56Å; N52-D67 HydrophobicContact CB-CB 4.4Å; N52-D67 PolarHBondContact N-O 3.17Å; N52-D67 PolarHBondContact O-N 3.07Å
53	V	76.3	Confident	74.2	Confident	49 Å²	49	67.3 Å²	67.3	30%	0.297	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120	176.7	-171	0	0	0	0	108.1	F51 T64 V65 W66	F51-V53 HydrophobicContact CD2-CG2 3.56Å; F51-V53 HydrophobicContact CE2-CG2 3.5Å; V53-T64 HydrophobicContact CG1-CG2 3.53Å; V53-V65 WeakPolarHBondContact CA-O 3.1Å; V53-W66 HydrophobicContact CB-CE3 4.4Å; V53-W66 HydrophobicContact CB-CZ3 4.5Å; V53-W66 HydrophobicContact CG1-CD2 4.2Å; V53-W66 HydrophobicContact CG1-CE3 4.38Å; V53-W66 HydrophobicContact CG1-CH2 4.39Å; V53-W66 HydrophobicContact CG1-CZ2 4.19Å; V53-W66 HydrophobicContact CG1-CZ3 4.47Å; V53-W66 HydrophobicContact CG2-CD2 3.84Å; V53-W66 HydrophobicContact CG2-CE3 3.23Å; V53-W66 HydrophobicContact CG2-CH2 3.89Å; V53-W66 HydrophobicContact CG2-CZ2 4.4Å; V53-W66 HydrophobicContact CG2-CZ3 3.26Å
54	E	79.7	Confident	74.2	Confident	34 Å²	34	66.7 Å²	66.7	16%	0.159	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	135.6	179.9	-67.3	-70.2	-153.2	0	0	111.1	L34 K38 N52 V65	L34-E54 HydrophobicContact CD1-CB 3.62Å; L34-E54 HydrophobicContact CD1-CG 4.32Å; L34-E54 HydrophobicContact CD2-CB 3.9Å; L34-E54 HydrophobicContact CD2-CG 3.7Å; L34-E54 HydrophobicContact CG-CB 4.05Å; L34-E54 HydrophobicContact CG-CG 4.19Å; K38-E54 HydrophobicContact CD-CB 4.41Å; K38-E54 HydrophobicContact CD-CG 4.44Å; K38-E54 IonicContact NZ-OE1 2.72Å; K38-E54 PolarHBondContact NZ-OE1 3.4Å; K38-E54 IonicContact NZ-OE2 3.76Å; K38-E54 PolarHBondContact NZ-OE2 3.03Å; N52-E54 VanDerWaalsContact ND2-CG 3.3Å; N52-E54 WeakPolarHBondContact ND2-CG 2.98Å; E54-V65 PolarHBondContact N-O 3.44Å; E54-V65 PolarHBondContact O-N 3.37Å
55	T	79.3	Confident	74	Confident	73 Å²	73	60.1 Å²	60.1	45%	0.448	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	118.2	171.4	-61.1	0	0	0	0	108.9	S62 F63	T55-S62 WeakPolarHBondContact CG2-OG 3.26Å; T55-F63 CarbonylContact C-O 3.54Å; T55-F63 WeakPolarHBondContact CA-O 3.27Å
56	V	81.8	Confident	73.7	Confident	6 Å²	6	59.6 Å²	59.6	4%	0.036	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.8	174.7	178.9	0	0	0	0	108	L34 L37 K38 F63 V65	L34-V56 HydrophobicContact CD1-CG2 3.65Å; L37-V56 HydrophobicContact CB-CG1 3.78Å; K38-V56 HydrophobicContact CB-CG2 4.35Å; V56-F63 PolarHBondContact N-O 2.92Å; V56-F63 PolarHBondContact O-N 3.41Å; V56-V65 HydrophobicContact CG2-CG2 4.34Å
57	E	81.2	Confident	73.6	Confident	120 Å²	120	52.8 Å²	52.8	56%	0.561	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.5	172.5	-59.9	-159.4	147.8	0	0	110.2	K15	K15-E57 IonicContact NZ-OE1 3.9Å; K15-E57 PolarHBondContact NZ-OE1 3.05Å; K15-E57 IonicContact NZ-OE2 3.89Å; K15-E57 PolarHBondContact NZ-OE2 3.47Å
58	Y	80.7	Confident	73.6	Confident	31 Å²	31	48.1 Å²	48.1	12%	0.122	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	117.3	173	-174	-110	0	0	0	111.1	N60 I61 F63 Y167 L170 D171	Y58-N60 PolarHBondContact O-N 3.26Å; Y58-N60 VanDerWaalsContact O-N 3.08Å; Y58-I61 PolarHBondContact N-O 3.37Å; Y58-I61 PolarHBondContact O-N 3.02Å; Y58-F63 HydrophobicContact CD1-CE2 4.22Å; Y58-F63 HydrophobicContact CG-CE2 4.33Å; Y58-Y167 HydrophobicContact CD2-CD1 4.02Å; Y58-Y167 HydrophobicContact CD2-CE1 4.25Å; Y58-Y167 AromaticContact CE2-CD1 3.32Å; Y58-Y167 HydrophobicContact CE2-CD1 3.32Å; Y58-Y167 AromaticContact CE2-CE1 3.89Å; Y58-Y167 HydrophobicContact CE2-CE1 3.89Å; Y58-Y167 HydrophobicContact CE2-CG 4.31Å; Y58-Y167 AromaticContact CZ-CD1 3.95Å; Y58-Y167 PolarHBondContact OH-O 2.92Å; Y58-L170 HydrophobicContact CD1-CB 3.75Å; Y58-L170 HydrophobicContact CD1-CD1 4.29Å; Y58-L170 HydrophobicContact CD2-CD1 4.36Å; Y58-L170 HydrophobicContact CE1-CB 3.67Å; Y58-L170 HydrophobicContact CG-CB 4.39Å; Y58-L170 HydrophobicContact CG-CD1 4.11Å; Y58-D171 WeakPolarHBondContact CE1-OD1 3.37Å; Y58-D171 VanDerWaalsContact OH-CG 3.3Å; Y58-D171 PolarHBondContact OH-OD1 3.49Å
59	K	77.3	Confident	73.9	Confident	123 Å²	123	47 Å²	47	54%	0.535	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	-112.7	-171.8	-61.5	-176.4	174.6	179.2	0	110.8	D171	K59-D171 WeakPolarHBondContact CD-OD1 3.41Å; K59-D171 WeakPolarHBondContact CE-OD1 3.24Å; K59-D171 IonicContact NZ-OD1 2.72Å; K59-D171 PolarHBondContact NZ-OD1 3.38Å; K59-D171 IonicContact NZ-OD2 3.08Å; K59-D171 PolarHBondContact NZ-OD2 2.82Å
60	N	69.1	Low	74.2	Confident	109 Å²	109	39.4 Å²	39.4	58%	0.583	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	8.4	-174.5	-50.8	-10.5	0	0	0	112.1	Y58	Y58-N60 PolarHBondContact O-N 3.26Å; Y58-N60 VanDerWaalsContact O-N 3.08Å
61	I	67.6	Low	74.6	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.4	-176	-52.5	-176	0	0	0	108.8	M18 Y58 F63 S174	M18-I61 HydrophobicContact CB-CG2 3.8Å; M18-I61 HydrophobicContact CG-CG2 3.58Å; Y58-I61 PolarHBondContact N-O 3.37Å; Y58-I61 PolarHBondContact O-N 3.02Å; I61-F63 HydrophobicContact CB-CD1 4.46Å; I61-F63 HydrophobicContact CB-CE1 4.04Å; I61-F63 HydrophobicContact CB-CZ 4.15Å; I61-F63 HydrophobicContact CD1-CE1 4.39Å; I61-F63 HydrophobicContact CD1-CZ 4.49Å; I61-F63 HydrophobicContact CG2-CD1 3.54Å; I61-F63 HydrophobicContact CG2-CE1 3.37Å; I61-F63 HydrophobicContact CG2-CG 4.34Å; I61-F63 HydrophobicContact CG2-CZ 4Å; I61-S174 VanDerWaalsContact CD1-CA 3.49Å; I61-S174 WeakPolarHBondContact CD1-OG 3.21Å
62	S	71.6	Confident	75.1	Confident	8 Å²	8	42 Å²	42	6%	0.056	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.3	168	-170	0	0	0	0	107.3	M18 T55	M18-S62 PolarHBondContact N-O 3.39Å; T55-S62 WeakPolarHBondContact CG2-OG 3.26Å
63	F	73.7	Confident	75.7	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.009	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.6	177.6	-58.1	-56.7	0	0	0	108.9	I20 T55 V56 Y58 I61 V65 L170 L173 L177	I20-F63 HydrophobicContact CB-CB 4.48Å; I20-F63 HydrophobicContact CB-CD1 4.41Å; I20-F63 HydrophobicContact CD1-CD1 4.06Å; I20-F63 HydrophobicContact CD1-CE1 4.26Å; I20-F63 HydrophobicContact CG1-CB 4.09Å; I20-F63 HydrophobicContact CG1-CD1 3.26Å; I20-F63 HydrophobicContact CG1-CE1 3.9Å; I20-F63 HydrophobicContact CG1-CG 4Å; T55-F63 CarbonylContact C-O 3.54Å; T55-F63 WeakPolarHBondContact CA-O 3.27Å; V56-F63 PolarHBondContact N-O 2.92Å; V56-F63 PolarHBondContact O-N 3.41Å; Y58-F63 HydrophobicContact CD1-CE2 4.22Å; Y58-F63 HydrophobicContact CG-CE2 4.33Å; I61-F63 HydrophobicContact CB-CD1 4.46Å; I61-F63 HydrophobicContact CB-CE1 4.04Å; I61-F63 HydrophobicContact CB-CZ 4.15Å; I61-F63 HydrophobicContact CD1-CE1 4.39Å; I61-F63 HydrophobicContact CD1-CZ 4.49Å; I61-F63 HydrophobicContact CG2-CD1 3.54Å; I61-F63 HydrophobicContact CG2-CE1 3.37Å; I61-F63 HydrophobicContact CG2-CG 4.34Å; I61-F63 HydrophobicContact CG2-CZ 4Å; F63-V65 HydrophobicContact CB-CG2 4.05Å; F63-V65 PolarHBondContact O-N 3.45Å; F63-L170 HydrophobicContact CD2-CD2 4.5Å; F63-L170 HydrophobicContact CE2-CD1 4.43Å; F63-L170 HydrophobicContact CE2-CD2 3.92Å; F63-L170 HydrophobicContact CZ-CD2 4.37Å; F63-L173 HydrophobicContact CE1-CD2 4.38Å; F63-L177 HydrophobicContact CE1-CD1 4.27Å
64	T	71	Confident	76	Confident	37 Å²	37	48.4 Å²	48.4	23%	0.227	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	101.5	164.1	-55	0	0	0	0	108.1	M18 I20 V53	M18-T64 PolarHBondContact O-N 3.25Å; I20-T64 PolarHBondContact N-O 3.2Å; V53-T64 HydrophobicContact CG1-CG2 3.53Å
65	V	69.2	Low	76.3	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.024	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	121.2	-178.2	178.4	0	0	0	0	109.7	I20 M22 L34 V53 E54 V56 F63	I20-V65 WeakPolarHBondContact O-CA 3.21Å; M22-V65 HydrophobicContact CB-CG1 3.51Å; M22-V65 HydrophobicContact CE-CG1 3.99Å; M22-V65 HydrophobicContact CG-CG1 4.5Å; M22-V65 HydrophobicContact SD-CG1 4.33Å; L34-V65 HydrophobicContact CD1-CB 3.73Å; L34-V65 HydrophobicContact CD1-CG1 3.77Å; L34-V65 HydrophobicContact CD1-CG2 4.21Å; V53-V65 WeakPolarHBondContact CA-O 3.1Å; E54-V65 PolarHBondContact N-O 3.44Å; E54-V65 PolarHBondContact O-N 3.37Å; V56-V65 HydrophobicContact CG2-CG2 4.34Å; F63-V65 HydrophobicContact CB-CG2 4.05Å; F63-V65 PolarHBondContact O-N 3.45Å
66	W	67.8	Low	76.7	Confident	48 Å²	48	46.6 Å²	46.6	18%	0.182	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	94.7	171.2	-59.1	76.1	0	0	0	107.9	R19 L21 M22 F51 N52 V53 V68 Y81	R19-W66 VanDerWaalsContact NE-NE1 3.15Å; L21-W66 HydrophobicContact CD1-CB 3.74Å; M22-W66 PolarHBondContact N-O 3.21Å; F51-W66 AromaticContact CD2-CE3 3.91Å; F51-W66 HydrophobicContact CD2-CE3 3.91Å; F51-W66 HydrophobicContact CD2-CZ3 4.04Å; F51-W66 HydrophobicContact CE2-CE3 4.09Å; F51-W66 AromaticContact CE2-CZ3 3.72Å; F51-W66 HydrophobicContact CE2-CZ3 3.72Å; N52-W66 CarbonylContact O-C 3.56Å; V53-W66 HydrophobicContact CB-CE3 4.4Å; V53-W66 HydrophobicContact CB-CZ3 4.5Å; V53-W66 HydrophobicContact CG1-CD2 4.2Å; V53-W66 HydrophobicContact CG1-CE3 4.38Å; V53-W66 HydrophobicContact CG1-CH2 4.39Å; V53-W66 HydrophobicContact CG1-CZ2 4.19Å; V53-W66 HydrophobicContact CG1-CZ3 4.47Å; V53-W66 HydrophobicContact CG2-CD2 3.84Å; V53-W66 HydrophobicContact CG2-CE3 3.23Å; V53-W66 HydrophobicContact CG2-CH2 3.89Å; V53-W66 HydrophobicContact CG2-CZ2 4.4Å; V53-W66 HydrophobicContact CG2-CZ3 3.26Å; W66-V68 HydrophobicContact CB-CG2 4.41Å; W66-V68 PolarHBondContact O-N 2.95Å; W66-Y81 AromaticContact CD2-CD1 3.6Å; W66-Y81 HydrophobicContact CD2-CD1 3.6Å; W66-Y81 HydrophobicContact CD2-CE1 4.15Å; W66-Y81 HydrophobicContact CD2-CG 4.33Å; W66-Y81 AromaticContact CE3-CD1 3.05Å; W66-Y81 HydrophobicContact CE3-CD1 3.05Å; W66-Y81 AromaticContact CE3-CE1 3.15Å; W66-Y81 HydrophobicContact CE3-CE1 3.15Å; W66-Y81 HydrophobicContact CE3-CG 4.06Å; W66-Y81 HydrophobicContact CG-CD1 4.25Å; W66-Y81 HydrophobicContact CH2-CD1 4.26Å; W66-Y81 HydrophobicContact CH2-CE1 4.32Å; W66-Y81 AromaticContact CZ3-CD1 3.45Å; W66-Y81 HydrophobicContact CZ3-CD1 3.45Å; W66-Y81 VanDerWaalsContact CZ3-CD1 3.45Å; W66-Y81 AromaticContact CZ3-CE1 3.26Å; W66-Y81 HydrophobicContact CZ3-CE1 3.26Å
67	D	69.2	Low	76.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	101.2	172.8	174.6	32.6	0	0	0	108.6	K30 T31 L34 F51 N52	K30-D67 WeakPolarHBondContact CB-OD1 3.42Å; K30-D67 VanDerWaalsContact CE-OD1 3.29Å; K30-D67 WeakPolarHBondContact CE-OD1 3.49Å; T31-D67 WeakPolarHBondContact CA-OD2 3.32Å; T31-D67 VanDerWaalsContact CB-OD2 3.31Å; T31-D67 WeakPolarHBondContact CB-OD2 3.46Å; T31-D67 PolarHBondContact OG1-OD2 3.42Å; L34-D67 HydrophobicContact CD2-CB 3.88Å; F51-D67 CarbonylContact C-O 3.57Å; F51-D67 WeakPolarHBondContact CA-O 3.2Å; N52-D67 HydrophobicContact CB-CB 4.4Å; N52-D67 PolarHBondContact N-O 3.17Å; N52-D67 PolarHBondContact O-N 3.07Å
68	V	73.1	Confident	77.1	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.5	-179.1	-161.9	0	0	0	0	109.3	L21 K30 F51 W66 G70 W78 Y81	L21-V68 HydrophobicContact CD1-CG2 4.29Å; K30-V68 WeakPolarHBondContact CE-O 3.26Å; F51-V68 HydrophobicContact CB-CG1 4.3Å; F51-V68 HydrophobicContact CB-CG2 4.41Å; W66-V68 HydrophobicContact CB-CG2 4.41Å; W66-V68 PolarHBondContact O-N 2.95Å; V68-G70 PolarHBondContact O-N 3.24Å; V68-W78 HydrophobicContact CG1-CG 4.48Å; V68-Y81 HydrophobicContact CG1-CE2 4.39Å; V68-Y81 HydrophobicContact CG2-CD2 3.85Å; V68-Y81 HydrophobicContact CG2-CE2 4.05Å
69	G	74.1	Confident	77.5	Confident	4 Å²	4	49.3 Å²	49.3	4%	0.041	24%	0.237	C	C	.	.			trans	-55.7	143.6	177.2	0	0	0	0	0	111	G50 I74 W78	G50-G69 PolarHBondContact O-N 3.09Å; G69-I74 VanDerWaalsContact O-CD1 3.31Å; G69-I74 WeakPolarHBondContact O-CD1 3.38Å; G69-I74 WeakPolarHBondContact O-CG1 3.4Å; G69-W78 PolarHBondContact O-NE1 2.99Å
70	G	77.2	Confident	77.9	Confident	3 Å²	3	49 Å²	49	3%	0.031	24%	0.238	C	C	.	.			trans	-102.5	8.4	-171.1	0	0	0	0	0	115.4	D26 V68 R75	D26-G70 PolarHBondContact N-O 2.87Å; V68-G70 PolarHBondContact O-N 3.24Å; G70-R75 PolarHBondContact O-NE 3.39Å; G70-R75 PolarHBondContact O-NH2 3.42Å
71	Q	81.5	Confident	78.8	Confident	83 Å²	83	45 Å²	45	39%	0.388	22%	0.215	S	C	.	.	S	Bend	trans	-69.6	142.9	177.3	-57.7	176.6	25.9	0	0	109.9	D26 K73 I74 R75	D26-Q71 HydrophobicContact CB-CG 4.08Å; Q71-K73 PolarHBondContact O-N 3.22Å; Q71-I74 HydrophobicContact CB-CD1 4.35Å; Q71-I74 HydrophobicContact CB-CG1 4.1Å; Q71-I74 WeakPolarHBondContact O-CG1 3.31Å; Q71-I74 PolarHBondContact O-N 2.97Å; Q71-R75 WeakPolarHBondContact O-CG 3.47Å; Q71-R75 PolarHBondContact O-N 3Å
72	D	82.5	Confident	79.9	Confident	100 Å²	100	45.1 Å²	45.1	54%	0.535	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-43.1	-173.7	-54.9	-0.1	0	0	0	113.2	I74 R75	D72-I74 PolarHBondContact O-N 3.09Å; D72-R75 PolarHBondContact O-N 2.91Å; D72-R75 IonicContact OD1-CZ 2.69Å; D72-R75 IonicContact OD1-NE 3.41Å; D72-R75 IonicContact OD1-NH1 3.05Å; D72-R75 PolarHBondContact OD1-NH1 3.36Å; D72-R75 IonicContact OD1-NH2 3.57Å; D72-R75 PolarHBondContact OD1-NH2 2.99Å
73	K	85.4	Confident	80.7	Confident	193 Å²	193	50.4 Å²	50.4	84%	0.839	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.2	-176.1	-62.7	-176	-177.3	178.4	0	114.1	Q71	Q71-K73 PolarHBondContact O-N 3.22Å
74	I	83.6	Confident	81.5	Confident	31 Å²	31	56.7 Å²	56.7	16%	0.159	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-9.9	-174.9	59.1	172.5	0	0	0	113.5	G69 Q71 D72 P76 L77	G69-I74 VanDerWaalsContact O-CD1 3.31Å; G69-I74 WeakPolarHBondContact O-CD1 3.38Å; G69-I74 WeakPolarHBondContact O-CG1 3.4Å; Q71-I74 HydrophobicContact CB-CD1 4.35Å; Q71-I74 HydrophobicContact CB-CG1 4.1Å; Q71-I74 WeakPolarHBondContact O-CG1 3.31Å; Q71-I74 PolarHBondContact O-N 2.97Å; D72-I74 PolarHBondContact O-N 3.09Å; I74-P76 VanDerWaalsContact C-N 3.29Å; I74-L77 HydrophobicContact CB-CD1 4.27Å; I74-L77 HydrophobicContact CG2-CD1 4.4Å; I74-L77 VanDerWaalsContact O-CB 3.26Å; I74-L77 WeakPolarHBondContact O-CB 3.12Å; I74-L77 PolarHBondContact O-N 3.1Å
75	R	85.6	Confident	82.4	Confident	11 Å²	11	55.3 Å²	55.3	4%	0.042	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-54.5	-36	174.4	-57.3	-174.5	-169.7	151.3	3.6	114.1	D26 G70 Q71 D72 L77 W78 E102 E106	D26-R75 IonicContact OD1-NH2 2.66Å; G70-R75 PolarHBondContact O-NE 3.39Å; G70-R75 PolarHBondContact O-NH2 3.42Å; Q71-R75 WeakPolarHBondContact O-CG 3.47Å; Q71-R75 PolarHBondContact O-N 3Å; D72-R75 PolarHBondContact O-N 2.91Å; D72-R75 IonicContact OD1-CZ 2.69Å; D72-R75 IonicContact OD1-NE 3.41Å; D72-R75 IonicContact OD1-NH1 3.05Å; D72-R75 PolarHBondContact OD1-NH1 3.36Å; D72-R75 IonicContact OD1-NH2 3.57Å; D72-R75 PolarHBondContact OD1-NH2 2.99Å; R75-L77 PolarHBondContact O-N 2.96Å; R75-W78 HydrophobicContact CB-CD2 4.25Å; R75-W78 HydrophobicContact CB-CE3 4.48Å; R75-W78 HydrophobicContact CB-CZ2 4.35Å; R75-W78 HydrophobicContact CG-CH2 4.14Å; R75-W78 HydrophobicContact CG-CZ2 3.83Å; R75-W78 VanDerWaalsContact O-CB 3.23Å; R75-W78 WeakPolarHBondContact O-CB 3.14Å; R75-W78 PolarHBondContact O-N 2.77Å; R75-E102 IonicContact CZ-OE1 2.66Å; R75-E102 IonicContact NH1-OE1 2.83Å; R75-E102 PolarHBondContact NH1-OE1 2.61Å; R75-E102 IonicContact NH2-OE1 4Å; R75-E102 PolarHBondContact NH2-OE1 3.37Å; R75-E106 IonicContact NH1-OE1 3.81Å
76	P	87.4	Confident	83.5	Confident	59 Å²	59	58 Å²	58	38%	0.383	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-57.4	-22.5	174.2	-29	37.9	0	0	0	114.5	I74 W78 R79	I74-P76 VanDerWaalsContact C-N 3.29Å; P76-W78 VanDerWaalsContact C-N 3.27Å; P76-W78 PolarHBondContact O-N 3.05Å; P76-R79 WeakPolarHBondContact O-CG 3.01Å; P76-R79 PolarHBondContact O-NE 3.37Å; P76-R79 PolarHBondContact O-NH1 3.13Å
77	L	84.2	Confident	84.7	Confident	75 Å²	75	55.8 Å²	55.8	39%	0.393	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-75.9	-16.3	178.9	-56.7	177.4	0	0	0	112.8	I74 R75 R79 H80 Y81	I74-L77 HydrophobicContact CB-CD1 4.27Å; I74-L77 HydrophobicContact CG2-CD1 4.4Å; I74-L77 VanDerWaalsContact O-CB 3.26Å; I74-L77 WeakPolarHBondContact O-CB 3.12Å; I74-L77 PolarHBondContact O-N 3.1Å; R75-L77 PolarHBondContact O-N 2.96Å; L77-R79 PolarHBondContact O-N 3.05Å; L77-R79 VanDerWaalsContact O-N 3.15Å; L77-H80 WeakPolarHBondContact O-CB 3.46Å; L77-H80 PolarHBondContact O-CD2 2.67Å; L77-H80 PolarHBondContact O-N 3.4Å; L77-H80 VanDerWaalsContact O-N 3.11Å; L77-Y81 WeakPolarHBondContact O-CD2 3.2Å; L77-Y81 WeakPolarHBondContact O-CE2 3.43Å
78	W	88.1	Confident	86	Confident	3 Å²	3	55.8 Å²	55.8	1%	0.011	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-55	-35.9	-179.4	-65.9	1.8	0	0	0	111.7	V23 G24 V68 G69 R75 P76 H80 Y81 F82 E106 M110	V23-W78 HydrophobicContact CB-CD2 4.44Å; V23-W78 HydrophobicContact CB-CE3 4.42Å; V23-W78 HydrophobicContact CB-CH2 4.39Å; V23-W78 HydrophobicContact CB-CZ2 4.42Å; V23-W78 HydrophobicContact CB-CZ3 4.39Å; V23-W78 HydrophobicContact CG1-CD2 4.23Å; V23-W78 HydrophobicContact CG1-CG 4.42Å; G24-W78 WeakPolarHBondContact O-CZ2 3.3Å; V68-W78 HydrophobicContact CG1-CG 4.48Å; G69-W78 PolarHBondContact O-NE1 2.99Å; R75-W78 HydrophobicContact CB-CD2 4.25Å; R75-W78 HydrophobicContact CB-CE3 4.48Å; R75-W78 HydrophobicContact CB-CZ2 4.35Å; R75-W78 HydrophobicContact CG-CH2 4.14Å; R75-W78 HydrophobicContact CG-CZ2 3.83Å; R75-W78 VanDerWaalsContact O-CB 3.23Å; R75-W78 WeakPolarHBondContact O-CB 3.14Å; R75-W78 PolarHBondContact O-N 2.77Å; P76-W78 VanDerWaalsContact C-N 3.27Å; P76-W78 PolarHBondContact O-N 3.05Å; W78-H80 PolarHBondContact O-N 2.8Å; W78-H80 VanDerWaalsContact O-N 3.1Å; W78-Y81 PolarHBondContact O-N 2.95Å; W78-F82 HydrophobicContact CB-CE1 3.88Å; W78-F82 HydrophobicContact CB-CZ 3.99Å; W78-F82 VanDerWaalsContact O-CD1 3.22Å; W78-F82 WeakPolarHBondContact O-CD1 3.27Å; W78-F82 WeakPolarHBondContact O-CE1 3.04Å; W78-E106 HydrophobicContact CZ3-CB 4.08Å; W78-M110 HydrophobicContact CD2-SD 4.35Å; W78-M110 HydrophobicContact CE3-CE 4.37Å; W78-M110 HydrophobicContact CE3-CG 4.01Å; W78-M110 HydrophobicContact CE3-SD 3.28Å; W78-M110 HydrophobicContact CZ3-CG 4.37Å; W78-M110 HydrophobicContact CZ3-SD 3.5Å; W78-M110 VanDerWaalsContact CZ3-SD 3.5Å
79	R	87.4	Confident	87.1	Confident	135 Å²	135	55.8 Å²	55.8	51%	0.509	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-57.9	-27.1	-179	76.7	-179.4	72.4	115	-5.4	114.7	P76 L77 Y81 F82	P76-R79 WeakPolarHBondContact O-CG 3.01Å; P76-R79 PolarHBondContact O-NE 3.37Å; P76-R79 PolarHBondContact O-NH1 3.13Å; L77-R79 PolarHBondContact O-N 3.05Å; L77-R79 VanDerWaalsContact O-N 3.15Å; R79-Y81 PolarHBondContact O-N 2.78Å; R79-Y81 VanDerWaalsContact O-N 3.14Å; R79-F82 HydrophobicContact CB-CD2 4.04Å; R79-F82 HydrophobicContact CB-CE2 3.7Å; R79-F82 HydrophobicContact CB-CZ 4.17Å; R79-F82 PolarHBondContact O-N 3Å
80	H	87.2	Confident	88.2	Confident	117 Å²	117	55.6 Å²	55.6	54%	0.542	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-68.7	-10.6	177.9	-60.3	-54.2	0	0	0	113.1	L77 W78	L77-H80 WeakPolarHBondContact O-CB 3.46Å; L77-H80 PolarHBondContact O-CD2 2.67Å; L77-H80 PolarHBondContact O-N 3.4Å; L77-H80 VanDerWaalsContact O-N 3.11Å; W78-H80 PolarHBondContact O-N 2.8Å; W78-H80 VanDerWaalsContact O-N 3.1Å
81	Y	86.8	Confident	89.2	Confident	26 Å²	26	55.5 Å²	55.5	10%	0.102	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-111.5	5	-177.4	-51.1	-72.5	0	0	0	113.4	F51 W66 V68 L77 W78 R79 T85	F51-Y81 WeakPolarHBondContact CD1-OH 3.47Å; F51-Y81 HydrophobicContact CD2-CE1 4.14Å; F51-Y81 VanDerWaalsContact CE1-OH 3.28Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.29Å; F51-Y81 HydrophobicContact CE2-CE1 4.3Å; F51-Y81 HydrophobicContact CG-CE1 4.41Å; F51-Y81 AromaticContact CG-CZ 3.86Å; F51-Y81 WeakPolarHBondContact CG-OH 3.47Å; W66-Y81 AromaticContact CD2-CD1 3.6Å; W66-Y81 HydrophobicContact CD2-CD1 3.6Å; W66-Y81 HydrophobicContact CD2-CE1 4.15Å; W66-Y81 HydrophobicContact CD2-CG 4.33Å; W66-Y81 AromaticContact CE3-CD1 3.05Å; W66-Y81 HydrophobicContact CE3-CD1 3.05Å; W66-Y81 AromaticContact CE3-CE1 3.15Å; W66-Y81 HydrophobicContact CE3-CE1 3.15Å; W66-Y81 HydrophobicContact CE3-CG 4.06Å; W66-Y81 HydrophobicContact CG-CD1 4.25Å; W66-Y81 HydrophobicContact CH2-CD1 4.26Å; W66-Y81 HydrophobicContact CH2-CE1 4.32Å; W66-Y81 AromaticContact CZ3-CD1 3.45Å; W66-Y81 HydrophobicContact CZ3-CD1 3.45Å; W66-Y81 VanDerWaalsContact CZ3-CD1 3.45Å; W66-Y81 AromaticContact CZ3-CE1 3.26Å; W66-Y81 HydrophobicContact CZ3-CE1 3.26Å; V68-Y81 HydrophobicContact CG1-CE2 4.39Å; V68-Y81 HydrophobicContact CG2-CD2 3.85Å; V68-Y81 HydrophobicContact CG2-CE2 4.05Å; L77-Y81 WeakPolarHBondContact O-CD2 3.2Å; L77-Y81 WeakPolarHBondContact O-CE2 3.43Å; W78-Y81 PolarHBondContact O-N 2.95Å; R79-Y81 PolarHBondContact O-N 2.78Å; R79-Y81 VanDerWaalsContact O-N 3.14Å; Y81-T85 PolarHBondContact O-OG1 3.34Å
82	F	90.9	Very high	90	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.026	25%	0.247	C	C	.	.			trans	-76.7	-34.3	-175.7	-62.7	-9.9	0	0	0	113.1	L21 W78 R79 N84 T85 M110 E113 E115 L116	L21-F82 HydrophobicContact CD2-CD1 3.48Å; L21-F82 VanDerWaalsContact CD2-CD1 3.48Å; L21-F82 HydrophobicContact CD2-CE1 3.66Å; W78-F82 HydrophobicContact CB-CE1 3.88Å; W78-F82 HydrophobicContact CB-CZ 3.99Å; W78-F82 VanDerWaalsContact O-CD1 3.22Å; W78-F82 WeakPolarHBondContact O-CD1 3.27Å; W78-F82 WeakPolarHBondContact O-CE1 3.04Å; R79-F82 HydrophobicContact CB-CD2 4.04Å; R79-F82 HydrophobicContact CB-CE2 3.7Å; R79-F82 HydrophobicContact CB-CZ 4.17Å; R79-F82 PolarHBondContact O-N 3Å; F82-N84 PolarHBondContact O-N 3.03Å; F82-T85 WeakPolarHBondContact O-CB 3.1Å; F82-T85 PolarHBondContact O-N 2.96Å; F82-T85 VanDerWaalsContact O-N 3.09Å; F82-T85 PolarHBondContact O-OG1 3.06Å; F82-M110 HydrophobicContact CD1-CE 4.34Å; F82-M110 HydrophobicContact CE1-CE 3.42Å; F82-M110 VanDerWaalsContact CE1-CE 3.42Å; F82-M110 HydrophobicContact CZ-CB 4.49Å; F82-M110 HydrophobicContact CZ-CE 3.79Å; F82-M110 HydrophobicContact CZ-CG 4Å; F82-E113 HydrophobicContact CD2-CB 3.89Å; F82-E113 HydrophobicContact CD2-CG 4.03Å; F82-E113 HydrophobicContact CE2-CB 4.05Å; F82-E113 HydrophobicContact CE2-CG 3.69Å; F82-E115 HydrophobicContact CB-CB 3.67Å; F82-E115 HydrophobicContact CB-CG 4.43Å; F82-L116 HydrophobicContact CB-CD1 4.48Å; F82-L116 HydrophobicContact CB-CD2 4Å; F82-L116 HydrophobicContact CB-CG 3.94Å; F82-L116 HydrophobicContact CD1-CD1 3.81Å; F82-L116 HydrophobicContact CD1-CD2 4.32Å; F82-L116 HydrophobicContact CD1-CG 4.2Å; F82-L116 HydrophobicContact CD2-CD1 4.13Å; F82-L116 HydrophobicContact CD2-CG 4.26Å; F82-L116 HydrophobicContact CE1-CD1 4.03Å; F82-L116 HydrophobicContact CE2-CD1 4.35Å; F82-L116 HydrophobicContact CG-CD1 3.88Å; F82-L116 HydrophobicContact CG-CD2 4.24Å; F82-L116 HydrophobicContact CG-CG 3.87Å; F82-L116 HydrophobicContact CZ-CD1 4.3Å
83	Q	89.7	Confident	90.7	Very high	120 Å²	120	48 Å²	48	56%	0.561	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	135.9	-177.1	-71.1	-173.6	-22.7	0	0	112.2	R19 T85 E115	R19-Q83 PolarHBondContact NH1-O 3.44Å; Q83-T85 PolarHBondContact O-N 3.41Å; Q83-E115 HydrophobicContact CG-CG 4.19Å
84	N	88.8	Confident	91.3	Very high	133 Å²	133	38.8 Å²	38.8	71%	0.711	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	13.5	178.3	-50.8	-41.1	0	0	0	115.2	R19 F82 Q86	R19-N84 WeakPolarHBondContact CB-O 3.22Å; F82-N84 PolarHBondContact O-N 3.03Å; N84-Q86 PolarHBondContact O-N 3.32Å
85	T	91	Very high	92	Very high	8 Å²	8	40 Å²	40	5%	0.049	19%	0.194	C	C	.	.			trans	-74.3	116.2	174.6	-70.8	0	0	0	0	109.6	L21 Y81 F82 Q83 G87 L116	L21-T85 HydrophobicContact CB-CG2 3.74Å; Y81-T85 PolarHBondContact O-OG1 3.34Å; F82-T85 WeakPolarHBondContact O-CB 3.1Å; F82-T85 PolarHBondContact O-N 2.96Å; F82-T85 VanDerWaalsContact O-N 3.09Å; F82-T85 PolarHBondContact O-OG1 3.06Å; Q83-T85 PolarHBondContact O-N 3.41Å; T85-G87 WeakPolarHBondContact CG2-O 3.35Å; T85-L116 HydrophobicContact CG2-CD2 3.82Å
86	Q	92.1	Very high	92.6	Very high	62 Å²	62	40.9 Å²	40.9	29%	0.29	20%	0.2	S	C	.	.			trans	-89.8	-22.6	177.3	-60.4	116.5	-27.6	0	0	112.7	M18 R19 N84 A119 V120 L177	M18-Q86 VanDerWaalsContact CA-OE1 3.3Å; M18-Q86 HydrophobicContact SD-CG 4.43Å; R19-Q86 PolarHBondContact O-N 3.45Å; N84-Q86 PolarHBondContact O-N 3.32Å; Q86-A119 CarbonylContact O-C 3.58Å; Q86-A119 WeakPolarHBondContact O-CA 3.41Å; Q86-V120 PolarHBondContact O-N 3.06Å; Q86-L177 HydrophobicContact CB-CD2 3.84Å; Q86-L177 VanDerWaalsContact O-CD2 3.29Å; Q86-L177 WeakPolarHBondContact O-CD2 3.33Å
87	G	93.6	Very high	93.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	143	177.6	0	0	0	0	0	112.3	I20 L21 T85 V120	I20-G87 CarbonylContact C-O 3.52Å; I20-G87 VanDerWaalsContact CA-O 3.26Å; I20-G87 WeakPolarHBondContact CA-O 3.24Å; L21-G87 PolarHBondContact N-O 2.82Å; T85-G87 WeakPolarHBondContact CG2-O 3.35Å; G87-V120 CarbonylContact C-O 3.6Å; G87-V120 VanDerWaalsContact CA-O 3.32Å; G87-V120 WeakPolarHBondContact CA-O 3.49Å
88	L	95.2	Very high	93.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.2	177	-177.3	65.3	0	0	0	108.4	L21 V23 L107 M110 L111 V120 L121 L122	L21-L88 HydrophobicContact CB-CD1 3.86Å; L21-L88 HydrophobicContact CD2-CD1 3.97Å; L21-L88 HydrophobicContact CG-CD1 3.85Å; L21-L88 CarbonylContact O-C 3.58Å; L21-L88 WeakPolarHBondContact O-CA 3.36Å; V23-L88 HydrophobicContact CG2-CD1 3.57Å; V23-L88 HydrophobicContact CG2-CG 4.42Å; L88-L107 HydrophobicContact CD2-CD1 4.37Å; L88-M110 HydrophobicContact CD1-CE 3.82Å; L88-M110 HydrophobicContact CD2-CE 4.22Å; L88-L111 HydrophobicContact CD2-CD2 3.73Å; L88-V120 PolarHBondContact N-O 3.39Å; L88-L121 HydrophobicContact CB-CD1 4.33Å; L88-L121 HydrophobicContact CD2-CD1 4.02Å; L88-L121 HydrophobicContact CG-CD1 4.16Å; L88-L121 CarbonylContact O-C 3.52Å; L88-L121 WeakPolarHBondContact O-CA 3.36Å; L88-L122 PolarHBondContact O-N 3.04Å
89	I	96.4	Very high	94.2	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.015	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	112.1	166.8	-59.5	177.9	0	0	0	107.7	I20 L21 M22 V23 V91 L122 F124 L170 L173	I20-I89 HydrophobicContact CG2-CD1 3.74Å; I20-I89 HydrophobicContact CG2-CG1 3.69Å; L21-I89 PolarHBondContact O-N 2.7Å; M22-I89 WeakPolarHBondContact CA-O 3.33Å; M22-I89 HydrophobicContact CB-CB 4.29Å; M22-I89 HydrophobicContact CE-CD1 4.01Å; M22-I89 HydrophobicContact CE-CG2 4.22Å; M22-I89 HydrophobicContact CG-CB 4.13Å; M22-I89 HydrophobicContact CG-CG2 4.07Å; V23-I89 PolarHBondContact N-O 2.79Å; I89-V91 HydrophobicContact CG2-CG2 4.04Å; I89-L122 CarbonylContact C-O 3.57Å; I89-L122 VanDerWaalsContact CA-O 3.26Å; I89-L122 WeakPolarHBondContact CA-O 3.44Å; I89-L122 HydrophobicContact CD1-CD2 4.4Å; I89-L122 HydrophobicContact CG1-CB 4.31Å; I89-L122 HydrophobicContact CG1-CD2 4.19Å; I89-F124 HydrophobicContact CD1-CE2 4.41Å; I89-F124 HydrophobicContact CG2-CD2 3.39Å; I89-F124 HydrophobicContact CG2-CE2 3.69Å; I89-F124 HydrophobicContact CG2-CG 4.3Å; I89-L170 HydrophobicContact CD1-CD2 4.05Å; I89-L173 HydrophobicContact CD1-CD2 3.97Å; I89-L173 HydrophobicContact CG1-CD2 3.96Å
90	F	97.4	Very high	94.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.6	175.2	-164	-98.3	0	0	0	110.1	V23 V92 A103 L107 L121 L122 V123 F124	V23-F90 HydrophobicContact CG2-CD2 3.83Å; V23-F90 HydrophobicContact CG2-CE2 4.35Å; V23-F90 CarbonylContact O-C 3.56Å; V23-F90 WeakPolarHBondContact O-CA 3.29Å; F90-V92 HydrophobicContact CD1-CG2 3.73Å; F90-V92 HydrophobicContact CE1-CG2 3.86Å; F90-A103 HydrophobicContact CE1-CB 4.14Å; F90-A103 HydrophobicContact CZ-CB 4.26Å; F90-A103 VanDerWaalsContact CZ-O 3.24Å; F90-A103 WeakPolarHBondContact CZ-O 3.14Å; F90-L107 HydrophobicContact CB-CD1 4.11Å; F90-L107 HydrophobicContact CD1-CB 4.41Å; F90-L107 HydrophobicContact CD1-CD1 4.3Å; F90-L107 HydrophobicContact CD1-CD2 4.23Å; F90-L107 HydrophobicContact CD2-CB 4.25Å; F90-L107 HydrophobicContact CD2-CD1 3.69Å; F90-L107 HydrophobicContact CD2-CG 4.48Å; F90-L107 HydrophobicContact CE1-CB 4.03Å; F90-L107 HydrophobicContact CE1-CD2 4.46Å; F90-L107 HydrophobicContact CE2-CB 3.88Å; F90-L107 HydrophobicContact CE2-CD1 4.19Å; F90-L107 HydrophobicContact CG-CD1 3.77Å; F90-L107 HydrophobicContact CG-CD2 4.49Å; F90-L107 HydrophobicContact CG-CG 4.49Å; F90-L107 HydrophobicContact CZ-CB 3.78Å; F90-L121 HydrophobicContact CB-CD1 3.94Å; F90-L122 PolarHBondContact N-O 3.38Å; F90-V123 HydrophobicContact CB-CG2 4.43Å; F90-V123 CarbonylContact O-C 3.59Å; F90-V123 VanDerWaalsContact O-CA 3.29Å; F90-V123 WeakPolarHBondContact O-CA 3.29Å; F90-F124 PolarHBondContact O-N 2.79Å
91	V	97.9	Very high	95.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.9	-177	-170	0	0	0	0	109.7	M22 V23 G24 A28 K30 I33 I89 F124 N126	M22-V91 HydrophobicContact CG-CG2 3.81Å; M22-V91 HydrophobicContact SD-CG2 4.09Å; V23-V91 PolarHBondContact O-N 3.01Å; G24-V91 WeakPolarHBondContact CA-O 3.38Å; A28-V91 HydrophobicContact CB-CB 4.32Å; A28-V91 HydrophobicContact CB-CG1 4.09Å; A28-V91 WeakPolarHBondContact CB-O 3.4Å; A28-V91 WeakPolarHBondContact O-CG1 3.32Å; K30-V91 HydrophobicContact CG-CB 3.8Å; K30-V91 HydrophobicContact CG-CG1 4.43Å; K30-V91 HydrophobicContact CG-CG2 3.76Å; I33-V91 HydrophobicContact CD1-CG1 3.7Å; I33-V91 HydrophobicContact CD1-CG2 3.99Å; I89-V91 HydrophobicContact CG2-CG2 4.04Å; V91-F124 HydrophobicContact CG1-CB 4.38Å; V91-F124 HydrophobicContact CG2-CB 4.42Å; V91-F124 HydrophobicContact CG2-CD2 4.38Å; V91-N126 HydrophobicContact CG1-CB 3.87Å
92	V	98.3	Very high	95.6	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.024	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.6	-179.7	-175.6	0	0	0	0	108.8	F90 S94 V123 F124 N126 I139 L143	F90-V92 HydrophobicContact CD1-CG2 3.73Å; F90-V92 HydrophobicContact CE1-CG2 3.86Å; V92-S94 PolarHBondContact O-N 2.83Å; V92-V123 HydrophobicContact CG2-CG1 3.93Å; V92-F124 PolarHBondContact N-O 2.56Å; V92-N126 WeakPolarHBondContact O-CB 3.45Å; V92-N126 PolarHBondContact O-N 2.79Å; V92-I139 HydrophobicContact CG1-CD1 4.41Å; V92-I139 HydrophobicContact CG1-CG2 4.31Å; V92-I139 HydrophobicContact CG2-CG2 4.35Å; V92-L143 HydrophobicContact CG2-CD1 3.95Å
93	D	98.1	Very high	95.9	Very high	21 Å²	21	44.2 Å²	44.2	11%	0.112	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	107.5	164.1	-171.7	-22.7	0	0	0	108.8	N95 D96 K127	D93-N95 PolarHBondContact O-N 3.05Å; D93-N95 WeakPolarHBondContact OD1-CA 3.03Å; D93-N95 WeakPolarHBondContact OD1-CB 3.06Å; D93-N95 PolarHBondContact OD1-N 3.47Å; D93-D96 HydrophobicContact CB-CB 3.74Å; D93-D96 PolarHBondContact O-N 2.96Å; D93-D96 PolarHBondContact OD1-N 3.1Å; D93-K127 WeakPolarHBondContact OD1-CD 3.26Å; D93-K127 IonicContact OD1-NZ 2.92Å; D93-K127 VanDerWaalsContact OD2-CE 3.31Å; D93-K127 WeakPolarHBondContact OD2-CE 3.39Å; D93-K127 IonicContact OD2-NZ 2.58Å; D93-K127 PolarHBondContact OD2-NZ 3.46Å
94	S	98.7	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.6	-178.6	-52.6	0	0	0	0	112.4	V92 N126 Q128 A133 M134 I139	V92-S94 PolarHBondContact O-N 2.83Å; S94-N126 WeakPolarHBondContact CB-O 3.31Å; S94-N126 PolarHBondContact N-O 3.26Å; S94-N126 PolarHBondContact OG-N 3.01Å; S94-N126 PolarHBondContact OG-O 3.46Å; S94-Q128 PolarHBondContact OG-NE2 3.47Å; S94-A133 CarbonylContact O-C 3.48Å; S94-A133 WeakPolarHBondContact O-CA 3.34Å; S94-M134 WeakPolarHBondContact CB-O 3.4Å; S94-M134 WeakPolarHBondContact O-CB 3.29Å; S94-M134 WeakPolarHBondContact O-CE 3.46Å; S94-M134 WeakPolarHBondContact O-CG 3.48Å; S94-M134 PolarHBondContact O-N 2.9Å; S94-I139 WeakPolarHBondContact OG-CD1 3.49Å
95	N	98.1	Very high	96.7	Very high	55 Å²	55	43.5 Å²	43.5	29%	0.294	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-12.2	179.9	-162.4	75.4	0	0	0	112.2	D93 R97 L130 N132	D93-N95 PolarHBondContact O-N 3.05Å; D93-N95 WeakPolarHBondContact OD1-CA 3.03Å; D93-N95 WeakPolarHBondContact OD1-CB 3.06Å; D93-N95 PolarHBondContact OD1-N 3.47Å; N95-R97 PolarHBondContact O-N 3.36Å; N95-R97 VanDerWaalsContact O-N 3.17Å; N95-L130 HydrophobicContact CB-CB 4Å; N95-L130 HydrophobicContact CB-CD1 3.56Å; N95-L130 HydrophobicContact CB-CG 4.42Å; N95-N132 WeakPolarHBondContact OD1-CB 3.33Å; N95-N132 PolarHBondContact OD1-N 3.15Å
96	D	97.7	Very high	96.9	Very high	31 Å²	31	44 Å²	44	17%	0.166	20%	0.201	C	C	.	.			trans	-89	75	178.2	-160.8	-29	0	0	0	111.9	D93 E98 R99 V100	D93-D96 HydrophobicContact CB-CB 3.74Å; D93-D96 PolarHBondContact O-N 2.96Å; D93-D96 PolarHBondContact OD1-N 3.1Å; D96-E98 PolarHBondContact O-N 3.11Å; D96-R99 WeakPolarHBondContact OD1-CB 3.38Å; D96-R99 PolarHBondContact OD1-N 2.97Å; D96-R99 IonicContact OD1-NE 3.51Å; D96-R99 IonicContact OD2-CZ 3.27Å; D96-R99 IonicContact OD2-NE 3.83Å; D96-R99 PolarHBondContact OD2-NE 3.2Å; D96-R99 IonicContact OD2-NH2 3.12Å; D96-R99 PolarHBondContact OD2-NH2 3.4Å; D96-V100 PolarHBondContact O-N 3.32Å
97	R	97.9	Very high	97.1	Very high	98 Å²	98	41 Å²	41	37%	0.37	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-22.3	-178.7	-70.2	173.5	169.4	-82.3	-11.3	113.2	N95 V100 N132 M134 E138	N95-R97 PolarHBondContact O-N 3.36Å; N95-R97 VanDerWaalsContact O-N 3.17Å; R97-V100 WeakPolarHBondContact O-CG1 3.34Å; R97-N132 PolarHBondContact NE-O 2.79Å; R97-N132 PolarHBondContact NH2-O 3.14Å; R97-M134 HydrophobicContact CG-CE 4.2Å; R97-M134 HydrophobicContact CG-CG 3.76Å; R97-M134 HydrophobicContact CG-SD 3.88Å; R97-E138 IonicContact CZ-OE1 3.12Å; R97-E138 IonicContact CZ-OE2 2.71Å; R97-E138 IonicContact NH1-OE1 2.84Å; R97-E138 PolarHBondContact NH1-OE1 2.92Å; R97-E138 IonicContact NH1-OE2 3.76Å; R97-E138 PolarHBondContact NH1-OE2 3.23Å; R97-E138 IonicContact NH2-OE1 3.19Å; R97-E138 IonicContact NH2-OE2 3.81Å; R97-E138 PolarHBondContact NH2-OE2 3.44Å
98	E	97.2	Very high	97.2	Very high	180 Å²	180	43.4 Å²	43.4	84%	0.841	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-44.3	-178.1	-65	-177	176.1	0	0	111.3	D96	D96-E98 PolarHBondContact O-N 3.11Å
99	R	97.1	Very high	97.2	Very high	68 Å²	68	50.2 Å²	50.2	26%	0.257	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	3.7	-176	-61.4	-170.4	-67.5	164.3	2.9	114.9	L25 D26 D96 N101 E102 A103	L25-R99 HydrophobicContact CD1-CB 3.79Å; L25-R99 WeakPolarHBondContact CD1-O 3.03Å; D26-R99 VanDerWaalsContact CG-NH1 3.33Å; D26-R99 IonicContact OD1-NH1 3.61Å; D26-R99 PolarHBondContact OD1-NH1 3.21Å; D26-R99 IonicContact OD2-CZ 2.9Å; D26-R99 IonicContact OD2-NH1 3.78Å; D26-R99 PolarHBondContact OD2-NH1 2.96Å; D26-R99 IonicContact OD2-NH2 2.68Å; D96-R99 WeakPolarHBondContact OD1-CB 3.38Å; D96-R99 PolarHBondContact OD1-N 2.97Å; D96-R99 IonicContact OD1-NE 3.51Å; D96-R99 IonicContact OD2-CZ 3.27Å; D96-R99 IonicContact OD2-NE 3.83Å; D96-R99 PolarHBondContact OD2-NE 3.2Å; D96-R99 IonicContact OD2-NH2 3.12Å; D96-R99 PolarHBondContact OD2-NH2 3.4Å; R99-N101 PolarHBondContact O-N 2.93Å; R99-E102 WeakPolarHBondContact CD-OE2 2.96Å; R99-E102 WeakPolarHBondContact CG-OE2 3.23Å; R99-E102 WeakPolarHBondContact O-CB 3.45Å; R99-E102 PolarHBondContact O-N 2.92Å; R99-E102 VanDerWaalsContact O-N 3.13Å; R99-A103 PolarHBondContact O-N 2.86Å
100	V	97.7	Very high	97.1	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-30.7	176.9	69.4	0	0	0	0	113.7	D96 R97 A103 R104 M134 K142 L143	D96-V100 PolarHBondContact O-N 3.32Å; R97-V100 WeakPolarHBondContact O-CG1 3.34Å; V100-A103 WeakPolarHBondContact O-CB 3.26Å; V100-A103 PolarHBondContact O-N 3.44Å; V100-R104 PolarHBondContact O-N 2.86Å; V100-M134 HydrophobicContact CB-CE 3.94Å; V100-M134 HydrophobicContact CB-SD 4.33Å; V100-M134 HydrophobicContact CG1-CE 4.49Å; V100-M134 HydrophobicContact CG1-SD 4.31Å; V100-M134 HydrophobicContact CG2-CE 3.94Å; V100-M134 HydrophobicContact CG2-SD 4.21Å; V100-K142 HydrophobicContact CB-CD 4.31Å; V100-K142 HydrophobicContact CG1-CB 4.4Å; V100-K142 HydrophobicContact CG1-CD 3.36Å; V100-K142 HydrophobicContact CG2-CB 3.9Å; V100-K142 HydrophobicContact CG2-CD 4.05Å; V100-L143 HydrophobicContact CG2-CD2 4.47Å
101	N	97.1	Very high	97	Very high	90 Å²	90	51.1 Å²	51.1	48%	0.481	23%	0.229	S	C	.	.	H	α-helix	trans	-70.4	-39.4	174.6	-71.7	-28.3	0	0	0	111.4	R99 A103 R104 E105	R99-N101 PolarHBondContact O-N 2.93Å; N101-A103 VanDerWaalsContact C-N 3.32Å; N101-R104 WeakPolarHBondContact O-CB 3.28Å; N101-R104 PolarHBondContact O-N 2.79Å; N101-E105 WeakPolarHBondContact O-CG 3.47Å; N101-E105 PolarHBondContact O-N 2.78Å
102	E	96.8	Very high	96.9	Very high	48 Å²	48	54.9 Å²	54.9	22%	0.224	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-41.3	171.8	179.5	-175.7	-173.6	0	0	110.9	L25 R75 R99 R104 E105 E106	L25-E102 HydrophobicContact CD1-CB 4.29Å; L25-E102 HydrophobicContact CD1-CG 4.2Å; L25-E102 HydrophobicContact CD2-CG 4.34Å; R75-E102 IonicContact CZ-OE1 2.66Å; R75-E102 IonicContact NH1-OE1 2.83Å; R75-E102 PolarHBondContact NH1-OE1 2.61Å; R75-E102 IonicContact NH2-OE1 4Å; R75-E102 PolarHBondContact NH2-OE1 3.37Å; R99-E102 WeakPolarHBondContact CD-OE2 2.96Å; R99-E102 WeakPolarHBondContact CG-OE2 3.23Å; R99-E102 WeakPolarHBondContact O-CB 3.45Å; R99-E102 PolarHBondContact O-N 2.92Å; R99-E102 VanDerWaalsContact O-N 3.13Å; E102-R104 VanDerWaalsContact C-N 3.31Å; E102-R104 PolarHBondContact O-N 2.92Å; E102-E105 PolarHBondContact O-N 3.26Å; E102-E106 PolarHBondContact O-N 3.49Å
103	A	97.1	Very high	96.7	Very high	4 Å²	4	58 Å²	58	3%	0.033	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-40.3	173.8	0	0	0	0	0	112	L25 F90 R99 V100 N101 L107 L143	L25-A103 HydrophobicContact CD1-CB 3.82Å; L25-A103 HydrophobicContact CD2-CB 4.39Å; L25-A103 HydrophobicContact CG-CB 3.9Å; F90-A103 HydrophobicContact CE1-CB 4.14Å; F90-A103 HydrophobicContact CZ-CB 4.26Å; F90-A103 VanDerWaalsContact CZ-O 3.24Å; F90-A103 WeakPolarHBondContact CZ-O 3.14Å; R99-A103 PolarHBondContact O-N 2.86Å; V100-A103 WeakPolarHBondContact O-CB 3.26Å; V100-A103 PolarHBondContact O-N 3.44Å; N101-A103 VanDerWaalsContact C-N 3.32Å; A103-L107 WeakPolarHBondContact O-CB 3.46Å; A103-L107 PolarHBondContact O-N 2.93Å; A103-L143 HydrophobicContact CB-CD2 4.32Å
104	R	98.1	Very high	96.6	Very high	115 Å²	115	62.2 Å²	62.2	43%	0.434	30%	0.297	S	S	.	.	H	α-helix	trans	-60.7	-48.3	172.9	170.9	176.5	162.3	-170	0.7	111.7	V100 N101 E102 E106 L107 M108 K142 L143	V100-R104 PolarHBondContact O-N 2.86Å; N101-R104 WeakPolarHBondContact O-CB 3.28Å; N101-R104 PolarHBondContact O-N 2.79Å; E102-R104 VanDerWaalsContact C-N 3.31Å; E102-R104 PolarHBondContact O-N 2.92Å; R104-E106 VanDerWaalsContact C-N 3.33Å; R104-E106 PolarHBondContact O-N 2.86Å; R104-L107 PolarHBondContact O-N 3.04Å; R104-M108 HydrophobicContact CG-CG 4.15Å; R104-M108 WeakPolarHBondContact O-CB 3.42Å; R104-M108 VanDerWaalsContact O-CG 3.26Å; R104-M108 WeakPolarHBondContact O-CG 3.42Å; R104-M108 PolarHBondContact O-N 2.87Å; R104-K142 WeakPolarHBondContact CD-O 3.41Å; R104-L143 HydrophobicContact CB-CD2 3.97Å
105	E	96.8	Very high	96.4	Very high	123 Å²	123	66.5 Å²	66.5	58%	0.575	32%	0.317	S	S	*	.	H	α-helix	trans	-59.8	-45.2	-178.3	-73.3	177.4	-169.9	0	0	111.4	N101 E102 M108 R109	N101-E105 WeakPolarHBondContact O-CG 3.47Å; N101-E105 PolarHBondContact O-N 2.78Å; E102-E105 PolarHBondContact O-N 3.26Å; E105-M108 PolarHBondContact O-N 3.3Å; E105-R109 VanDerWaalsContact O-CB 3.29Å; E105-R109 WeakPolarHBondContact O-CB 3.42Å; E105-R109 PolarHBondContact O-N 3.11Å
106	E	95.1	Very high	96.3	Very high	18 Å²	18	63.9 Å²	63.9	8%	0.084	30%	0.303	C	S	.	.	H	α-helix	trans	-66.6	-42.9	176.8	-67.4	-60.7	160.5	0	0	112	L25 R75 W78 E102 R104 M108 R109 M110	L25-E106 HydrophobicContact CD2-CG 4.29Å; R75-E106 IonicContact NH1-OE1 3.81Å; W78-E106 HydrophobicContact CZ3-CB 4.08Å; E102-E106 PolarHBondContact O-N 3.49Å; R104-E106 VanDerWaalsContact C-N 3.33Å; R104-E106 PolarHBondContact O-N 2.86Å; E106-M108 PolarHBondContact O-N 3.22Å; E106-R109 VanDerWaalsContact CD-NH1 3.29Å; E106-R109 PolarHBondContact O-N 3.25Å; E106-R109 IonicContact OE1-CZ 3.6Å; E106-R109 IonicContact OE1-NH1 2.56Å; E106-R109 PolarHBondContact OE1-NH1 3.34Å; E106-R109 IonicContact OE2-CZ 2.79Å; E106-R109 IonicContact OE2-NH1 3.71Å; E106-R109 PolarHBondContact OE2-NH1 3.42Å; E106-M110 VanDerWaalsContact O-CG 3.27Å; E106-M110 WeakPolarHBondContact O-CG 3.4Å; E106-M110 PolarHBondContact O-N 2.91Å
107	L	96.7	Very high	96.1	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-57.9	-50.2	174.8	177.2	61	0	0	0	111.1	L88 F90 A103 R104 R109 M110 L111 L121 L143 L145	L88-L107 HydrophobicContact CD2-CD1 4.37Å; F90-L107 HydrophobicContact CB-CD1 4.11Å; F90-L107 HydrophobicContact CD1-CB 4.41Å; F90-L107 HydrophobicContact CD1-CD1 4.3Å; F90-L107 HydrophobicContact CD1-CD2 4.23Å; F90-L107 HydrophobicContact CD2-CB 4.25Å; F90-L107 HydrophobicContact CD2-CD1 3.69Å; F90-L107 HydrophobicContact CD2-CG 4.48Å; F90-L107 HydrophobicContact CE1-CB 4.03Å; F90-L107 HydrophobicContact CE1-CD2 4.46Å; F90-L107 HydrophobicContact CE2-CB 3.88Å; F90-L107 HydrophobicContact CE2-CD1 4.19Å; F90-L107 HydrophobicContact CG-CD1 3.77Å; F90-L107 HydrophobicContact CG-CD2 4.49Å; F90-L107 HydrophobicContact CG-CG 4.49Å; F90-L107 HydrophobicContact CZ-CB 3.78Å; A103-L107 WeakPolarHBondContact O-CB 3.46Å; A103-L107 PolarHBondContact O-N 2.93Å; R104-L107 PolarHBondContact O-N 3.04Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 3.03Å; L107-M110 PolarHBondContact O-N 3.08Å; L107-L111 HydrophobicContact CD1-CD1 3.77Å; L107-L111 HydrophobicContact CD1-CD2 4.3Å; L107-L111 HydrophobicContact CD1-CG 3.86Å; L107-L111 HydrophobicContact CG-CD1 3.89Å; L107-L111 HydrophobicContact CG-CG 4.29Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 2.73Å; L107-L121 HydrophobicContact CD1-CD1 4.07Å; L107-L121 HydrophobicContact CD1-CD2 4.32Å; L107-L121 HydrophobicContact CD2-CD2 4.49Å; L107-L143 HydrophobicContact CD2-CB 4.46Å; L107-L143 HydrophobicContact CD2-CD1 4.09Å; L107-L145 HydrophobicContact CD2-CD2 3.85Å
108	M	96.9	Very high	95.9	Very high	50 Å²	50	70.9 Å²	70.9	25%	0.246	34%	0.337	C	S	.	.	H	α-helix	trans	-65.3	-38.6	-178.2	-68.4	-64.1	170.6	0	0	111.9	R104 E105 E106 L111 A112 L143 L148	R104-M108 HydrophobicContact CG-CG 4.15Å; R104-M108 WeakPolarHBondContact O-CB 3.42Å; R104-M108 VanDerWaalsContact O-CG 3.26Å; R104-M108 WeakPolarHBondContact O-CG 3.42Å; R104-M108 PolarHBondContact O-N 2.87Å; E105-M108 PolarHBondContact O-N 3.3Å; E106-M108 PolarHBondContact O-N 3.22Å; M108-L111 PolarHBondContact O-N 2.83Å; M108-A112 PolarHBondContact O-N 2.82Å; M108-L143 WeakPolarHBondContact CE-O 3.47Å; M108-L148 HydrophobicContact CE-CD2 4.29Å; M108-L148 HydrophobicContact SD-CD2 4.17Å
109	R	94.7	Very high	95.8	Very high	143 Å²	143	62.4 Å²	62.4	54%	0.54	30%	0.298	S	S	.	.	H	α-helix	trans	-59.5	-46.9	173.5	-176	-173.5	-67.4	155.1	0.2	111	E105 E106 L107 A112	E105-R109 VanDerWaalsContact O-CB 3.29Å; E105-R109 WeakPolarHBondContact O-CB 3.42Å; E105-R109 PolarHBondContact O-N 3.11Å; E106-R109 VanDerWaalsContact CD-NH1 3.29Å; E106-R109 PolarHBondContact O-N 3.25Å; E106-R109 IonicContact OE1-CZ 3.6Å; E106-R109 IonicContact OE1-NH1 2.56Å; E106-R109 PolarHBondContact OE1-NH1 3.34Å; E106-R109 IonicContact OE2-CZ 2.79Å; E106-R109 IonicContact OE2-NH1 3.71Å; E106-R109 PolarHBondContact OE2-NH1 3.42Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 3.03Å; R109-A112 PolarHBondContact O-N 3.12Å
110	M	93.9	Very high	95.7	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.025	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-46.5	178	-72.3	-174.5	64.4	0	0	112.7	L21 V23 W78 F82 L88 E106 L107 A112 E113 L116	L21-M110 HydrophobicContact CD2-CE 3.94Å; V23-M110 HydrophobicContact CB-CE 4.37Å; V23-M110 HydrophobicContact CB-SD 4.3Å; V23-M110 HydrophobicContact CG1-CE 4.29Å; V23-M110 HydrophobicContact CG2-CE 3.6Å; V23-M110 HydrophobicContact CG2-SD 3.64Å; W78-M110 HydrophobicContact CD2-SD 4.35Å; W78-M110 HydrophobicContact CE3-CE 4.37Å; W78-M110 HydrophobicContact CE3-CG 4.01Å; W78-M110 HydrophobicContact CE3-SD 3.28Å; W78-M110 HydrophobicContact CZ3-CG 4.37Å; W78-M110 HydrophobicContact CZ3-SD 3.5Å; W78-M110 VanDerWaalsContact CZ3-SD 3.5Å; F82-M110 HydrophobicContact CD1-CE 4.34Å; F82-M110 HydrophobicContact CE1-CE 3.42Å; F82-M110 VanDerWaalsContact CE1-CE 3.42Å; F82-M110 HydrophobicContact CZ-CB 4.49Å; F82-M110 HydrophobicContact CZ-CE 3.79Å; F82-M110 HydrophobicContact CZ-CG 4Å; L88-M110 HydrophobicContact CD1-CE 3.82Å; L88-M110 HydrophobicContact CD2-CE 4.22Å; E106-M110 VanDerWaalsContact O-CG 3.27Å; E106-M110 WeakPolarHBondContact O-CG 3.4Å; E106-M110 PolarHBondContact O-N 2.91Å; L107-M110 PolarHBondContact O-N 3.08Å; M110-A112 PolarHBondContact O-N 3.33Å; M110-A112 VanDerWaalsContact O-N 3.17Å; M110-E113 WeakPolarHBondContact O-CB 3.36Å; M110-E113 PolarHBondContact O-N 3.48Å; M110-L116 HydrophobicContact CB-CD1 4.25Å; M110-L116 HydrophobicContact CE-CD1 3.93Å
111	L	95.5	Very high	95.7	Very high	18 Å²	18	59.1 Å²	59.1	9%	0.094	29%	0.285	C	S	.	.	H	α-helix	trans	-68.5	-13.3	-176.7	-65.8	-178.9	0	0	0	113.6	L88 L107 M108 E113 L121 L148 R151	L88-L111 HydrophobicContact CD2-CD2 3.73Å; L107-L111 HydrophobicContact CD1-CD1 3.77Å; L107-L111 HydrophobicContact CD1-CD2 4.3Å; L107-L111 HydrophobicContact CD1-CG 3.86Å; L107-L111 HydrophobicContact CG-CD1 3.89Å; L107-L111 HydrophobicContact CG-CG 4.29Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 2.73Å; M108-L111 PolarHBondContact O-N 2.83Å; L111-E113 VanDerWaalsContact C-N 3.34Å; L111-L121 HydrophobicContact CD1-CD2 3.98Å; L111-L148 HydrophobicContact CD1-CD1 3.63Å; L111-L148 HydrophobicContact CD1-CD2 3.79Å; L111-L148 HydrophobicContact CD1-CG 4.39Å; L111-R151 PolarHBondContact O-NH2 2.69Å
112	A	95	Very high	95.8	Very high	79 Å²	79	54.9 Å²	54.9	65%	0.653	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.2	173.6	0	0	0	0	0	113.5	M108 R109 M110	M108-A112 PolarHBondContact O-N 2.82Å; R109-A112 PolarHBondContact O-N 3.12Å; M110-A112 PolarHBondContact O-N 3.33Å; M110-A112 VanDerWaalsContact O-N 3.17Å
113	E	95.6	Very high	95.8	Very high	71 Å²	71	52.6 Å²	52.6	33%	0.332	25%	0.252	S	S	.	.	S	Bend	trans	-79.3	135	-179.2	-60.6	-86	-167.7	0	0	110.3	F82 M110 L111 E115 L116 R117	F82-E113 HydrophobicContact CD2-CB 3.89Å; F82-E113 HydrophobicContact CD2-CG 4.03Å; F82-E113 HydrophobicContact CE2-CB 4.05Å; F82-E113 HydrophobicContact CE2-CG 3.69Å; M110-E113 WeakPolarHBondContact O-CB 3.36Å; M110-E113 PolarHBondContact O-N 3.48Å; L111-E113 VanDerWaalsContact C-N 3.34Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 2.95Å; E113-L116 PolarHBondContact O-N 3.04Å; E113-R117 PolarHBondContact O-N 3.49Å
114	D	95	Very high	95.9	Very high	108 Å²	108	52.4 Å²	52.4	58%	0.578	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-63.5	-34.4	-171.9	-85.2	-21.3	0	0	0	112.3	L116 R117	D114-L116 PolarHBondContact O-N 3.49Å; D114-R117 VanDerWaalsContact CG-NH2 3.3Å; D114-R117 WeakPolarHBondContact O-CB 3.47Å; D114-R117 PolarHBondContact O-N 3.37Å; D114-R117 IonicContact OD1-CZ 3.56Å; D114-R117 IonicContact OD1-NE 3.66Å; D114-R117 IonicContact OD1-NH2 2.68Å; D114-R117 PolarHBondContact OD1-NH2 2.66Å; D114-R117 IonicContact OD2-NH2 2.72Å
115	E	95.3	Very high	96	Very high	90 Å²	90	46.9 Å²	46.9	42%	0.421	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-63.3	-22.5	177.4	-62.3	94.7	146.4	0	0	113	F82 Q83 E113	F82-E115 HydrophobicContact CB-CB 3.67Å; F82-E115 HydrophobicContact CB-CG 4.43Å; Q83-E115 HydrophobicContact CG-CG 4.19Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 2.95Å
116	L	94.9	Very high	96	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-101.1	4.5	177	-64.6	-177.1	0	0	0	112.5	F82 T85 M110 E113 D114 D118 A119 R151	F82-L116 HydrophobicContact CB-CD1 4.48Å; F82-L116 HydrophobicContact CB-CD2 4Å; F82-L116 HydrophobicContact CB-CG 3.94Å; F82-L116 HydrophobicContact CD1-CD1 3.81Å; F82-L116 HydrophobicContact CD1-CD2 4.32Å; F82-L116 HydrophobicContact CD1-CG 4.2Å; F82-L116 HydrophobicContact CD2-CD1 4.13Å; F82-L116 HydrophobicContact CD2-CG 4.26Å; F82-L116 HydrophobicContact CE1-CD1 4.03Å; F82-L116 HydrophobicContact CE2-CD1 4.35Å; F82-L116 HydrophobicContact CG-CD1 3.88Å; F82-L116 HydrophobicContact CG-CD2 4.24Å; F82-L116 HydrophobicContact CG-CG 3.87Å; F82-L116 HydrophobicContact CZ-CD1 4.3Å; T85-L116 HydrophobicContact CG2-CD2 3.82Å; M110-L116 HydrophobicContact CB-CD1 4.25Å; M110-L116 HydrophobicContact CE-CD1 3.93Å; E113-L116 PolarHBondContact O-N 3.04Å; D114-L116 PolarHBondContact O-N 3.49Å; L116-D118 VanDerWaalsContact C-N 3.27Å; L116-D118 PolarHBondContact O-N 3.41Å; L116-D118 VanDerWaalsContact O-N 3.17Å; L116-A119 HydrophobicContact CB-CB 4.44Å; L116-A119 HydrophobicContact CD2-CB 4.26Å; L116-A119 WeakPolarHBondContact O-CB 3.5Å; L116-A119 PolarHBondContact O-N 3.36Å; L116-A119 VanDerWaalsContact O-N 3.1Å; L116-R151 VanDerWaalsContact O-CZ 3.24Å; L116-R151 PolarHBondContact O-NH1 3.46Å; L116-R151 PolarHBondContact O-NH2 2.86Å
117	R	94.1	Very high	96.2	Very high	148 Å²	148	42.7 Å²	42.7	56%	0.558	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-45.4	-174.8	-175.4	-177.9	-64.1	178.7	0.1	113.4	E113 D114 R151	E113-R117 PolarHBondContact O-N 3.49Å; D114-R117 VanDerWaalsContact CG-NH2 3.3Å; D114-R117 WeakPolarHBondContact O-CB 3.47Å; D114-R117 PolarHBondContact O-N 3.37Å; D114-R117 IonicContact OD1-CZ 3.56Å; D114-R117 IonicContact OD1-NE 3.66Å; D114-R117 IonicContact OD1-NH2 2.68Å; D114-R117 PolarHBondContact OD1-NH2 2.66Å; D114-R117 IonicContact OD2-NH2 2.72Å; R117-R151 PolarHBondContact O-NH1 2.86Å; R117-R151 PolarHBondContact O-NH2 3.32Å
118	D	93	Very high	96.3	Very high	128 Å²	128	45.6 Å²	45.6	68%	0.684	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-0.3	-175.3	-58.9	-43.4	0	0	0	113.8	L116 V120 Q180	L116-D118 VanDerWaalsContact C-N 3.27Å; L116-D118 PolarHBondContact O-N 3.41Å; L116-D118 VanDerWaalsContact O-N 3.17Å; D118-V120 PolarHBondContact O-N 2.99Å; D118-Q180 PolarHBondContact O-NE2 3.23Å
119	A	94.9	Very high	96.3	Very high	3 Å²	3	47.8 Å²	47.8	3%	0.025	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-65.7	133.7	-177.6	0	0	0	0	0	112.2	Q86 L116 R151	Q86-A119 CarbonylContact O-C 3.58Å; Q86-A119 WeakPolarHBondContact O-CA 3.41Å; L116-A119 HydrophobicContact CB-CB 4.44Å; L116-A119 HydrophobicContact CD2-CB 4.26Å; L116-A119 WeakPolarHBondContact O-CB 3.5Å; L116-A119 PolarHBondContact O-N 3.36Å; L116-A119 VanDerWaalsContact O-N 3.1Å; A119-R151 PolarHBondContact O-NH1 3.38Å
120	V	96	Very high	96.5	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	136.2	171.3	-177.1	0	0	0	0	109.3	Q86 G87 L88 D118 N152 W172 L173 Q176 L177	Q86-V120 PolarHBondContact O-N 3.06Å; G87-V120 CarbonylContact C-O 3.6Å; G87-V120 VanDerWaalsContact CA-O 3.32Å; G87-V120 WeakPolarHBondContact CA-O 3.49Å; L88-V120 PolarHBondContact N-O 3.39Å; D118-V120 PolarHBondContact O-N 2.99Å; V120-N152 HydrophobicContact CG1-CB 4.31Å; V120-W172 HydrophobicContact CG1-CH2 3.32Å; V120-W172 HydrophobicContact CG1-CZ2 4.32Å; V120-W172 HydrophobicContact CG1-CZ3 3.48Å; V120-W172 VanDerWaalsContact CG1-CZ3 3.48Å; V120-L173 HydrophobicContact CB-CD1 4.17Å; V120-L173 HydrophobicContact CG1-CD1 4.03Å; V120-Q176 HydrophobicContact CG1-CB 3.79Å; V120-Q176 HydrophobicContact CG1-CG 4.06Å; V120-Q176 HydrophobicContact CG2-CB 4.11Å; V120-L177 HydrophobicContact CB-CD2 4.27Å; V120-L177 HydrophobicContact CG2-CD2 3.88Å
121	L	97.8	Very high	96.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.8	179.6	173	64.7	0	0	0	111.7	L88 F90 L107 L111 V123 L145 L148 N152 W153 Y154 W172	L88-L121 HydrophobicContact CB-CD1 4.33Å; L88-L121 HydrophobicContact CD2-CD1 4.02Å; L88-L121 HydrophobicContact CG-CD1 4.16Å; L88-L121 CarbonylContact O-C 3.52Å; L88-L121 WeakPolarHBondContact O-CA 3.36Å; F90-L121 HydrophobicContact CB-CD1 3.94Å; L107-L121 HydrophobicContact CD1-CD1 4.07Å; L107-L121 HydrophobicContact CD1-CD2 4.32Å; L107-L121 HydrophobicContact CD2-CD2 4.49Å; L111-L121 HydrophobicContact CD1-CD2 3.98Å; L121-V123 HydrophobicContact CD1-CG2 4.09Å; L121-V123 HydrophobicContact CD2-CG2 4.12Å; L121-V123 HydrophobicContact CG-CG2 3.99Å; L121-L145 HydrophobicContact CD2-CD2 4.37Å; L121-L148 HydrophobicContact CD2-CD1 3.69Å; L121-N152 PolarHBondContact N-O 2.89Å; L121-W153 HydrophobicContact CB-CB 3.88Å; L121-W153 HydrophobicContact CD2-CB 4.03Å; L121-W153 HydrophobicContact CG-CB 4.14Å; L121-W153 CarbonylContact O-C 3.57Å; L121-W153 WeakPolarHBondContact O-CA 3.29Å; L121-Y154 PolarHBondContact O-N 3.17Å; L121-W172 WeakPolarHBondContact O-CH2 3.2Å; L121-W172 WeakPolarHBondContact O-CZ3 3.42Å
122	L	97.9	Very high	96.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.9	163.9	174.7	63.5	0	0	0	108.8	L88 I89 F90 F124 Y154 Q156 G169 W172 L173	L88-L122 PolarHBondContact O-N 3.04Å; I89-L122 CarbonylContact C-O 3.57Å; I89-L122 VanDerWaalsContact CA-O 3.26Å; I89-L122 WeakPolarHBondContact CA-O 3.44Å; I89-L122 HydrophobicContact CD1-CD2 4.4Å; I89-L122 HydrophobicContact CG1-CB 4.31Å; I89-L122 HydrophobicContact CG1-CD2 4.19Å; F90-L122 PolarHBondContact N-O 3.38Å; L122-F124 HydrophobicContact CD2-CD1 4.43Å; L122-F124 HydrophobicContact CD2-CE1 3.85Å; L122-F124 HydrophobicContact CD2-CE2 4.07Å; L122-F124 HydrophobicContact CD2-CZ 3.64Å; L122-F124 HydrophobicContact CG-CD1 4.47Å; L122-F124 HydrophobicContact CG-CE1 4.32Å; L122-F124 HydrophobicContact CG-CZ 4.49Å; L122-Y154 CarbonylContact C-O 3.59Å; L122-Y154 HydrophobicContact CD1-CD1 3.78Å; L122-Q156 HydrophobicContact CD1-CB 4.39Å; L122-G169 WeakPolarHBondContact CD2-O 3.48Å; L122-W172 HydrophobicContact CB-CE3 4.44Å; L122-W172 HydrophobicContact CB-CZ3 4.17Å; L122-W172 HydrophobicContact CD1-CE3 4.16Å; L122-L173 HydrophobicContact CD2-CB 4.25Å; L122-L173 HydrophobicContact CD2-CD2 4.34Å
123	V	98.7	Very high	96.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.3	171.6	-178.2	0	0	0	0	108.9	F90 V92 L121 L143 L145 Y154 I155 Q156	F90-V123 HydrophobicContact CB-CG2 4.43Å; F90-V123 CarbonylContact O-C 3.59Å; F90-V123 VanDerWaalsContact O-CA 3.29Å; F90-V123 WeakPolarHBondContact O-CA 3.29Å; V92-V123 HydrophobicContact CG2-CG1 3.93Å; L121-V123 HydrophobicContact CD1-CG2 4.09Å; L121-V123 HydrophobicContact CD2-CG2 4.12Å; L121-V123 HydrophobicContact CG-CG2 3.99Å; V123-L143 HydrophobicContact CG1-CD1 3.94Å; V123-L145 HydrophobicContact CG2-CD1 4Å; V123-L145 HydrophobicContact CG2-CD2 4.28Å; V123-Y154 PolarHBondContact N-O 3.23Å; V123-I155 HydrophobicContact CB-CB 4.12Å; V123-I155 HydrophobicContact CB-CD1 4.26Å; V123-I155 HydrophobicContact CB-CG1 3.96Å; V123-I155 HydrophobicContact CG1-CD1 3.86Å; V123-I155 HydrophobicContact CG1-CG1 3.97Å; V123-I155 CarbonylContact O-C 3.58Å; V123-I155 VanDerWaalsContact O-CA 3.31Å; V123-I155 WeakPolarHBondContact O-CA 3.2Å; V123-Q156 PolarHBondContact O-N 3.13Å
124	F	98.7	Very high	96.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	109.2	167.3	-77.6	-40.8	0	0	0	109.6	I33 I89 F90 V91 V92 L122 N126 Q156 T158 L166	I33-F124 HydrophobicContact CD1-CB 4.4Å; I33-F124 HydrophobicContact CD1-CD2 3.88Å; I33-F124 HydrophobicContact CD1-CG 4.42Å; I33-F124 HydrophobicContact CG2-CE2 4.21Å; I89-F124 HydrophobicContact CD1-CE2 4.41Å; I89-F124 HydrophobicContact CG2-CD2 3.39Å; I89-F124 HydrophobicContact CG2-CE2 3.69Å; I89-F124 HydrophobicContact CG2-CG 4.3Å; F90-F124 PolarHBondContact O-N 2.79Å; V91-F124 HydrophobicContact CG1-CB 4.38Å; V91-F124 HydrophobicContact CG2-CB 4.42Å; V91-F124 HydrophobicContact CG2-CD2 4.38Å; V92-F124 PolarHBondContact N-O 2.56Å; L122-F124 HydrophobicContact CD2-CD1 4.43Å; L122-F124 HydrophobicContact CD2-CE1 3.85Å; L122-F124 HydrophobicContact CD2-CE2 4.07Å; L122-F124 HydrophobicContact CD2-CZ 3.64Å; L122-F124 HydrophobicContact CG-CD1 4.47Å; L122-F124 HydrophobicContact CG-CE1 4.32Å; L122-F124 HydrophobicContact CG-CZ 4.49Å; F124-N126 VanDerWaalsContact C-N 3.29Å; F124-N126 PolarHBondContact O-N 3.29Å; F124-N126 VanDerWaalsContact O-N 3.08Å; F124-Q156 HydrophobicContact CD1-CB 4.04Å; F124-Q156 HydrophobicContact CD1-CG 4.45Å; F124-Q156 HydrophobicContact CE1-CB 4.17Å; F124-Q156 HydrophobicContact CE1-CG 4.28Å; F124-T158 HydrophobicContact CB-CG2 4.45Å; F124-T158 HydrophobicContact CD1-CG2 3.26Å; F124-T158 HydrophobicContact CE1-CG2 3.59Å; F124-T158 HydrophobicContact CG-CG2 4.06Å; F124-L166 HydrophobicContact CE1-CD2 4.42Å; F124-L166 HydrophobicContact CE2-CD2 4.31Å; F124-L166 HydrophobicContact CZ-CD2 4.19Å
125	A	98.8	Very high	96.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	85	165	0	0	0	0	0	107.5	Q128 I139 I155 Q156 T158	A125-Q128 VanDerWaalsContact O-CG 3.29Å; A125-Q128 WeakPolarHBondContact O-CG 3.38Å; A125-I139 HydrophobicContact CB-CD1 3.43Å; A125-I139 VanDerWaalsContact CB-CD1 3.43Å; A125-I155 HydrophobicContact CB-CD1 4.24Å; A125-I155 HydrophobicContact CB-CG1 4.24Å; A125-Q156 PolarHBondContact N-O 3.26Å; A125-T158 PolarHBondContact O-N 3.27Å; A125-T158 PolarHBondContact O-OG1 3.38Å
126	N	98.6	Very high	97.1	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	162.4	-170.7	-171.7	33.8	0	0	0	112	A28 V91 V92 S94 F124 T158 A160	A28-N126 PolarHBondContact O-ND2 3.41Å; V91-N126 HydrophobicContact CG1-CB 3.87Å; V92-N126 WeakPolarHBondContact O-CB 3.45Å; V92-N126 PolarHBondContact O-N 2.79Å; S94-N126 WeakPolarHBondContact CB-O 3.31Å; S94-N126 PolarHBondContact N-O 3.26Å; S94-N126 PolarHBondContact OG-N 3.01Å; S94-N126 PolarHBondContact OG-O 3.46Å; F124-N126 VanDerWaalsContact C-N 3.29Å; F124-N126 PolarHBondContact O-N 3.29Å; F124-N126 VanDerWaalsContact O-N 3.08Å; N126-T158 CarbonylContact C-O 3.47Å; N126-T158 WeakPolarHBondContact CA-O 3.46Å; N126-T158 VanDerWaalsContact CA-OG1 3.28Å; N126-T158 WeakPolarHBondContact CA-OG1 3.07Å; N126-A160 WeakPolarHBondContact OD1-CB 3.42Å; N126-A160 PolarHBondContact OD1-N 2.82Å
127	K	98.3	Very high	97.2	Very high	50 Å²	50	46.5 Å²	46.5	22%	0.217	26%	0.255	C	S	.	.			trans	67.2	37.7	-177.7	-44.5	-167.1	-168.5	172.7	0	114.1	A27 D93 D129 L130 A133 T158	A27-K127 WeakPolarHBondContact O-CE 3.36Å; A27-K127 PolarHBondContact O-NZ 3.44Å; D93-K127 WeakPolarHBondContact OD1-CD 3.26Å; D93-K127 IonicContact OD1-NZ 2.92Å; D93-K127 VanDerWaalsContact OD2-CE 3.31Å; D93-K127 WeakPolarHBondContact OD2-CE 3.39Å; D93-K127 IonicContact OD2-NZ 2.58Å; D93-K127 PolarHBondContact OD2-NZ 3.46Å; K127-D129 VanDerWaalsContact C-OD1 3.25Å; K127-D129 VanDerWaalsContact CA-OD1 3.23Å; K127-D129 WeakPolarHBondContact CA-OD1 3.28Å; K127-D129 PolarHBondContact O-N 2.86Å; K127-L130 HydrophobicContact CB-CD1 3.85Å; K127-L130 HydrophobicContact CB-CG 4.16Å; K127-L130 HydrophobicContact CD-CD1 3.93Å; K127-L130 PolarHBondContact O-N 2.85Å; K127-A133 WeakPolarHBondContact O-CB 3.42Å; K127-T158 PolarHBondContact N-O 2.66Å; K127-T158 VanDerWaalsContact N-O 3.11Å
128	Q	98.5	Very high	97.4	Very high	60 Å²	60	41.7 Å²	41.7	28%	0.28	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-9	176.3	-67.5	-72.1	-55.4	0	0	113.3	S94 A125 L130 M134 A157 T158	S94-Q128 PolarHBondContact OG-NE2 3.47Å; A125-Q128 VanDerWaalsContact O-CG 3.29Å; A125-Q128 WeakPolarHBondContact O-CG 3.38Å; Q128-L130 VanDerWaalsContact C-N 3.26Å; Q128-M134 PolarHBondContact NE2-O 2.68Å; Q128-A157 HydrophobicContact CG-CB 4Å; Q128-T158 WeakPolarHBondContact CG-O 3.48Å; Q128-T158 PolarHBondContact N-O 2.95Å; Q128-T158 VanDerWaalsContact N-O 3.13Å
129	D	97.7	Very high	97.7	Very high	96 Å²	96	35.6 Å²	35.6	51%	0.513	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-14.4	171.5	59.5	-60.6	0	0	0	113.6	K127 C159	K127-D129 VanDerWaalsContact C-OD1 3.25Å; K127-D129 VanDerWaalsContact CA-OD1 3.23Å; K127-D129 WeakPolarHBondContact CA-OD1 3.28Å; K127-D129 PolarHBondContact O-N 2.86Å; D129-C159 PolarHBondContact OD1-SG 2.82Å; D129-C159 VanDerWaalsContact OD1-SG 3.35Å
130	L	97.8	Very high	97.9	Very high	60 Å²	60	36 Å²	36	31%	0.314	21%	0.209	S	C	.	.	S	Bend	trans	-86.8	143.2	-177.4	-61.2	-177.9	0	0	0	112.6	N95 K127 Q128 N132 A133	N95-L130 HydrophobicContact CB-CB 4Å; N95-L130 HydrophobicContact CB-CD1 3.56Å; N95-L130 HydrophobicContact CB-CG 4.42Å; K127-L130 HydrophobicContact CB-CD1 3.85Å; K127-L130 HydrophobicContact CB-CG 4.16Å; K127-L130 HydrophobicContact CD-CD1 3.93Å; K127-L130 PolarHBondContact O-N 2.85Å; Q128-L130 VanDerWaalsContact C-N 3.26Å; L130-N132 VanDerWaalsContact C-N 3.27Å; L130-N132 PolarHBondContact O-N 2.95Å; L130-N132 VanDerWaalsContact O-N 3.13Å; L130-A133 VanDerWaalsContact O-CB 3.28Å; L130-A133 WeakPolarHBondContact O-CB 3.24Å; L130-A133 PolarHBondContact O-N 3.3Å; L130-A133 VanDerWaalsContact O-N 3.14Å
131	P	94.9	Very high	98	Very high	119 Å²	119	40.9 Å²	40.9	77%	0.773	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-21.8	-167.8	24.6	-35.4	0	0	0	115.2
132	N	95.3	Very high	98	Very high	109 Å²	109	43.7 Å²	43.7	58%	0.583	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.4	16.9	-179.6	-63.5	-48.1	0	0	0	112.6	N95 R97 L130 M134	N95-N132 WeakPolarHBondContact OD1-CB 3.33Å; N95-N132 PolarHBondContact OD1-N 3.15Å; R97-N132 PolarHBondContact NE-O 2.79Å; R97-N132 PolarHBondContact NH2-O 3.14Å; L130-N132 VanDerWaalsContact C-N 3.27Å; L130-N132 PolarHBondContact O-N 2.95Å; L130-N132 VanDerWaalsContact O-N 3.13Å; N132-M134 PolarHBondContact O-N 3.27Å
133	A	98.2	Very high	98	Very high	22 Å²	22	43.7 Å²	43.7	18%	0.182	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-58.1	126.5	178.7	0	0	0	0	0	111.1	S94 K127 L130 N135	S94-A133 CarbonylContact O-C 3.48Å; S94-A133 WeakPolarHBondContact O-CA 3.34Å; K127-A133 WeakPolarHBondContact O-CB 3.42Å; L130-A133 VanDerWaalsContact O-CB 3.28Å; L130-A133 WeakPolarHBondContact O-CB 3.24Å; L130-A133 PolarHBondContact O-N 3.3Å; L130-A133 VanDerWaalsContact O-N 3.14Å; A133-N135 PolarHBondContact O-N 3.3Å
134	M	98.7	Very high	98	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-60.6	130	166.9	-63.6	176.1	-76.2	0	0	108.4	S94 R97 V100 Q128 N132 E138 I139 K142	S94-M134 WeakPolarHBondContact CB-O 3.4Å; S94-M134 WeakPolarHBondContact O-CB 3.29Å; S94-M134 WeakPolarHBondContact O-CE 3.46Å; S94-M134 WeakPolarHBondContact O-CG 3.48Å; S94-M134 PolarHBondContact O-N 2.9Å; R97-M134 HydrophobicContact CG-CE 4.2Å; R97-M134 HydrophobicContact CG-CG 3.76Å; R97-M134 HydrophobicContact CG-SD 3.88Å; V100-M134 HydrophobicContact CB-CE 3.94Å; V100-M134 HydrophobicContact CB-SD 4.33Å; V100-M134 HydrophobicContact CG1-CE 4.49Å; V100-M134 HydrophobicContact CG1-SD 4.31Å; V100-M134 HydrophobicContact CG2-CE 3.94Å; V100-M134 HydrophobicContact CG2-SD 4.21Å; Q128-M134 PolarHBondContact NE2-O 2.68Å; N132-M134 PolarHBondContact O-N 3.27Å; M134-E138 WeakPolarHBondContact CA-OE2 3.49Å; M134-E138 HydrophobicContact CB-CB 4.23Å; M134-E138 HydrophobicContact CB-CG 4.16Å; M134-E138 HydrophobicContact CG-CG 4.19Å; M134-E138 WeakPolarHBondContact CG-OE2 3.44Å; M134-E138 HydrophobicContact SD-CG 4.48Å; M134-I139 HydrophobicContact CB-CD1 4.02Å; M134-I139 HydrophobicContact CB-CG1 3.65Å; M134-I139 HydrophobicContact CE-CG1 4.38Å; M134-I139 WeakPolarHBondContact O-CD1 3.12Å; M134-I139 HydrophobicContact SD-CG1 4.48Å; M134-K142 HydrophobicContact SD-CD 3.87Å
135	N	97.9	Very high	97.9	Very high	87 Å²	87	44.4 Å²	44.4	47%	0.465	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-72.1	169.6	175	66.3	39.8	0	0	0	110.6	A133 A137 E138 I139	A133-N135 PolarHBondContact O-N 3.3Å; N135-A137 VanDerWaalsContact C-N 3.26Å; N135-A137 PolarHBondContact O-N 3.35Å; N135-A137 WeakPolarHBondContact OD1-CB 3.25Å; N135-A137 PolarHBondContact OD1-N 2.76Å; N135-A137 VanDerWaalsContact OD1-N 3.11Å; N135-E138 PolarHBondContact O-N 3.31Å; N135-E138 PolarHBondContact OD1-N 3.08Å; N135-I139 PolarHBondContact O-N 2.81Å
136	A	97.8	Very high	97.9	Very high	28 Å²	28	50 Å²	50	23%	0.231	28%	0.281	C	S	.	.	H	α-helix	trans	-58.7	-35	-178.4	0	0	0	0	0	113.3	T140 I155	A136-T140 WeakPolarHBondContact O-CB 3.31Å; A136-T140 PolarHBondContact O-N 3.11Å; A136-T140 PolarHBondContact O-OG1 2.84Å; A136-I155 HydrophobicContact CB-CD1 4.38Å; A136-I155 HydrophobicContact CB-CG1 4.29Å; A136-I155 HydrophobicContact CB-CG2 4.27Å
137	A	98.2	Very high	97.7	Very high	62 Å²	62	53.6 Å²	53.6	51%	0.512	31%	0.305	S	S	.	.	H	α-helix	trans	-66.8	-46.6	177.9	0	0	0	0	0	111.3	N135 I139 T140 D141	N135-A137 VanDerWaalsContact C-N 3.26Å; N135-A137 PolarHBondContact O-N 3.35Å; N135-A137 WeakPolarHBondContact OD1-CB 3.25Å; N135-A137 PolarHBondContact OD1-N 2.76Å; N135-A137 VanDerWaalsContact OD1-N 3.11Å; A137-I139 VanDerWaalsContact C-N 3.34Å; A137-I139 PolarHBondContact O-N 2.87Å; A137-T140 VanDerWaalsContact O-CB 3.31Å; A137-T140 WeakPolarHBondContact O-CB 3.45Å; A137-T140 PolarHBondContact O-N 2.64Å; A137-T140 VanDerWaalsContact O-N 3.13Å; A137-D141 PolarHBondContact O-N 3.19Å
138	E	98.5	Very high	97.6	Very high	48 Å²	48	52.3 Å²	52.3	22%	0.224	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-43.2	176.8	-175.3	178.2	179.9	0	0	111.5	R97 M134 N135 T140 D141 K142	R97-E138 IonicContact CZ-OE1 3.12Å; R97-E138 IonicContact CZ-OE2 2.71Å; R97-E138 IonicContact NH1-OE1 2.84Å; R97-E138 PolarHBondContact NH1-OE1 2.92Å; R97-E138 IonicContact NH1-OE2 3.76Å; R97-E138 PolarHBondContact NH1-OE2 3.23Å; R97-E138 IonicContact NH2-OE1 3.19Å; R97-E138 IonicContact NH2-OE2 3.81Å; R97-E138 PolarHBondContact NH2-OE2 3.44Å; M134-E138 WeakPolarHBondContact CA-OE2 3.49Å; M134-E138 HydrophobicContact CB-CB 4.23Å; M134-E138 HydrophobicContact CB-CG 4.16Å; M134-E138 HydrophobicContact CG-CG 4.19Å; M134-E138 WeakPolarHBondContact CG-OE2 3.44Å; M134-E138 HydrophobicContact SD-CG 4.48Å; N135-E138 PolarHBondContact O-N 3.31Å; N135-E138 PolarHBondContact OD1-N 3.08Å; E138-T140 VanDerWaalsContact C-N 3.33Å; E138-T140 PolarHBondContact O-N 2.89Å; E138-D141 PolarHBondContact O-N 3.15Å; E138-K142 HydrophobicContact CG-CG 4.47Å; E138-K142 WeakPolarHBondContact O-CB 3.43Å; E138-K142 WeakPolarHBondContact O-CG 3.44Å; E138-K142 PolarHBondContact O-N 3.19Å; E138-K142 WeakPolarHBondContact OE1-CE 3.28Å; E138-K142 IonicContact OE1-NZ 2.73Å
139	I	98.6	Very high	97.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.1	-37.8	176.7	-66.7	168.1	0	0	0	111.1	V92 S94 A125 M134 N135 A137 D141 K142 L143 I155	V92-I139 HydrophobicContact CG1-CD1 4.41Å; V92-I139 HydrophobicContact CG1-CG2 4.31Å; V92-I139 HydrophobicContact CG2-CG2 4.35Å; S94-I139 WeakPolarHBondContact OG-CD1 3.49Å; A125-I139 HydrophobicContact CB-CD1 3.43Å; A125-I139 VanDerWaalsContact CB-CD1 3.43Å; M134-I139 HydrophobicContact CB-CD1 4.02Å; M134-I139 HydrophobicContact CB-CG1 3.65Å; M134-I139 HydrophobicContact CE-CG1 4.38Å; M134-I139 WeakPolarHBondContact O-CD1 3.12Å; M134-I139 HydrophobicContact SD-CG1 4.48Å; N135-I139 PolarHBondContact O-N 2.81Å; A137-I139 VanDerWaalsContact C-N 3.34Å; A137-I139 PolarHBondContact O-N 2.87Å; I139-D141 VanDerWaalsContact C-N 3.32Å; I139-D141 PolarHBondContact O-N 3.13Å; I139-K142 PolarHBondContact O-N 2.92Å; I139-L143 HydrophobicContact CG2-CD1 3.68Å; I139-L143 HydrophobicContact CG2-CG 3.92Å; I139-L143 VanDerWaalsContact O-CB 3.29Å; I139-L143 WeakPolarHBondContact O-CB 3.02Å; I139-L143 WeakPolarHBondContact O-CG 3.37Å; I139-L143 PolarHBondContact O-N 3.01Å; I139-I155 HydrophobicContact CB-CD1 3.87Å; I139-I155 HydrophobicContact CG2-CD1 3.59Å
140	T	98.5	Very high	97.1	Very high	11 Å²	11	64.2 Å²	64.2	7%	0.067	34%	0.344	C	S	.	.	H	α-helix	trans	-57.8	-46.8	176.1	-59.5	0	0	0	0	111	A136 A137 E138 G144 L145 H146 W153	A136-T140 WeakPolarHBondContact O-CB 3.31Å; A136-T140 PolarHBondContact O-N 3.11Å; A136-T140 PolarHBondContact O-OG1 2.84Å; A137-T140 VanDerWaalsContact O-CB 3.31Å; A137-T140 WeakPolarHBondContact O-CB 3.45Å; A137-T140 PolarHBondContact O-N 2.64Å; A137-T140 VanDerWaalsContact O-N 3.13Å; E138-T140 VanDerWaalsContact C-N 3.33Å; E138-T140 PolarHBondContact O-N 2.89Å; T140-G144 PolarHBondContact O-N 3.48Å; T140-G144 VanDerWaalsContact O-N 3.1Å; T140-L145 HydrophobicContact CG2-CB 3.98Å; T140-L145 HydrophobicContact CG2-CD1 4.28Å; T140-L145 HydrophobicContact CG2-CG 4.44Å; T140-L145 PolarHBondContact O-N 2.72Å; T140-H146 WeakPolarHBondContact CG2-NE2 3.31Å; T140-W153 HydrophobicContact CG2-CH2 3.77Å; T140-W153 HydrophobicContact CG2-CZ3 4.21Å
141	D	98.3	Very high	96.9	Very high	103 Å²	103	62.9 Å²	62.9	55%	0.551	34%	0.335	S	S	*	.	H	α-helix	trans	-65.4	-49.8	177.6	-71.9	-29.2	0	0	0	111.4	A137 E138 I139 L143 G144 H146	A137-D141 PolarHBondContact O-N 3.19Å; E138-D141 PolarHBondContact O-N 3.15Å; I139-D141 VanDerWaalsContact C-N 3.32Å; I139-D141 PolarHBondContact O-N 3.13Å; D141-L143 PolarHBondContact O-N 3.23Å; D141-G144 PolarHBondContact O-N 3.44Å; D141-H146 IonicContact OD1-CD2 3.52Å; D141-H146 IonicContact OD1-NE2 3.61Å
142	K	98.2	Very high	97	Very high	59 Å²	59	61.5 Å²	61.5	26%	0.257	32%	0.321	S	S	.	.	H	α-helix	trans	-65.5	-36.5	-176.8	-73.3	-157.2	-178.1	-167.5	0	113.5	V100 R104 M134 E138 I139 G144	V100-K142 HydrophobicContact CB-CD 4.31Å; V100-K142 HydrophobicContact CG1-CB 4.4Å; V100-K142 HydrophobicContact CG1-CD 3.36Å; V100-K142 HydrophobicContact CG2-CB 3.9Å; V100-K142 HydrophobicContact CG2-CD 4.05Å; R104-K142 WeakPolarHBondContact CD-O 3.41Å; M134-K142 HydrophobicContact SD-CD 3.87Å; E138-K142 HydrophobicContact CG-CG 4.47Å; E138-K142 WeakPolarHBondContact O-CB 3.43Å; E138-K142 WeakPolarHBondContact O-CG 3.44Å; E138-K142 PolarHBondContact O-N 3.19Å; E138-K142 WeakPolarHBondContact OE1-CE 3.28Å; E138-K142 IonicContact OE1-NZ 2.73Å; I139-K142 PolarHBondContact O-N 2.92Å; K142-G144 VanDerWaalsContact C-N 3.27Å
143	L	98.4	Very high	97.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-76.8	-14.5	172.8	-66.9	-175.2	0	0	0	112.8	V92 V100 A103 R104 L107 M108 V123 I139 D141 L145	V92-L143 HydrophobicContact CG2-CD1 3.95Å; V100-L143 HydrophobicContact CG2-CD2 4.47Å; A103-L143 HydrophobicContact CB-CD2 4.32Å; R104-L143 HydrophobicContact CB-CD2 3.97Å; L107-L143 HydrophobicContact CD2-CB 4.46Å; L107-L143 HydrophobicContact CD2-CD1 4.09Å; M108-L143 WeakPolarHBondContact CE-O 3.47Å; V123-L143 HydrophobicContact CG1-CD1 3.94Å; I139-L143 HydrophobicContact CG2-CD1 3.68Å; I139-L143 HydrophobicContact CG2-CG 3.92Å; I139-L143 VanDerWaalsContact O-CB 3.29Å; I139-L143 WeakPolarHBondContact O-CB 3.02Å; I139-L143 WeakPolarHBondContact O-CG 3.37Å; I139-L143 PolarHBondContact O-N 3.01Å; D141-L143 PolarHBondContact O-N 3.23Å; L143-L145 HydrophobicContact CB-CD2 3.76Å; L143-L145 HydrophobicContact CB-CG 3.89Å; L143-L145 HydrophobicContact CD1-CD1 4.49Å; L143-L145 HydrophobicContact CD1-CD2 4.12Å; L143-L145 HydrophobicContact CD1-CG 4.45Å
144	G	97.8	Very high	97.1	Very high	15 Å²	15	62.6 Å²	62.6	16%	0.155	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	32.8	-177.8	0	0	0	0	0	113.2	T140 D141 K142 H146 S147	T140-G144 PolarHBondContact O-N 3.48Å; T140-G144 VanDerWaalsContact O-N 3.1Å; D141-G144 PolarHBondContact O-N 3.44Å; K142-G144 VanDerWaalsContact C-N 3.27Å; G144-H146 PolarHBondContact O-N 3.25Å; G144-H146 VanDerWaalsContact O-N 3.17Å; G144-S147 WeakPolarHBondContact O-CB 3.31Å; G144-S147 PolarHBondContact O-N 2.84Å; G144-S147 PolarHBondContact O-OG 2.71Å
145	L	97.9	Very high	97.1	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-61.6	-27	-175.9	-56.9	-176.5	0	0	0	112.5	L107 L121 V123 T140 L143 S147 L148 W153 I155	L107-L145 HydrophobicContact CD2-CD2 3.85Å; L121-L145 HydrophobicContact CD2-CD2 4.37Å; V123-L145 HydrophobicContact CG2-CD1 4Å; V123-L145 HydrophobicContact CG2-CD2 4.28Å; T140-L145 HydrophobicContact CG2-CB 3.98Å; T140-L145 HydrophobicContact CG2-CD1 4.28Å; T140-L145 HydrophobicContact CG2-CG 4.44Å; T140-L145 PolarHBondContact O-N 2.72Å; L143-L145 HydrophobicContact CB-CD2 3.76Å; L143-L145 HydrophobicContact CB-CG 3.89Å; L143-L145 HydrophobicContact CD1-CD1 4.49Å; L143-L145 HydrophobicContact CD1-CD2 4.12Å; L143-L145 HydrophobicContact CD1-CG 4.45Å; L145-S147 PolarHBondContact O-N 3.3Å; L145-S147 VanDerWaalsContact O-N 3.09Å; L145-L148 HydrophobicContact CD2-CD1 4.01Å; L145-L148 WeakPolarHBondContact O-CB 3.37Å; L145-L148 PolarHBondContact O-N 3.01Å; L145-W153 HydrophobicContact CB-CD2 4.13Å; L145-W153 HydrophobicContact CB-CE3 4.11Å; L145-W153 HydrophobicContact CB-CH2 3.95Å; L145-W153 HydrophobicContact CB-CZ2 3.94Å; L145-W153 HydrophobicContact CB-CZ3 4.02Å; L145-W153 HydrophobicContact CD1-CE3 3.85Å; L145-W153 HydrophobicContact CD1-CZ3 3.83Å; L145-W153 PolarHBondContact O-NE1 2.72Å; L145-I155 HydrophobicContact CD1-CB 4.43Å; L145-I155 HydrophobicContact CD1-CD1 4.35Å
146	H	96.9	Very high	97.1	Very high	119 Å²	119	60.7 Å²	60.7	55%	0.551	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-58.3	-20.8	173.7	-64.9	-55.6	0	0	0	114.2	T140 D141 G144 L148	T140-H146 WeakPolarHBondContact CG2-NE2 3.31Å; D141-H146 IonicContact OD1-CD2 3.52Å; D141-H146 IonicContact OD1-NE2 3.61Å; G144-H146 PolarHBondContact O-N 3.25Å; G144-H146 VanDerWaalsContact O-N 3.17Å; H146-L148 VanDerWaalsContact C-N 3.32Å
147	S	96.2	Very high	97.2	Very high	77 Å²	77	61.1 Å²	61.1	54%	0.538	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-76.3	-18.1	175.8	68.5	0	0	0	0	113.5	G144 L145 R149	G144-S147 WeakPolarHBondContact O-CB 3.31Å; G144-S147 PolarHBondContact O-N 2.84Å; G144-S147 PolarHBondContact O-OG 2.71Å; L145-S147 PolarHBondContact O-N 3.3Å; L145-S147 VanDerWaalsContact O-N 3.09Å; S147-R149 VanDerWaalsContact C-N 3.25Å; S147-R149 PolarHBondContact O-N 2.94Å
148	L	95.7	Very high	97.2	Very high	23 Å²	23	58.3 Å²	58.3	12%	0.12	28%	0.282	C	S	.	.			trans	-81.4	59.2	-174.7	-56.9	178.2	0	0	0	112.5	M108 L111 L121 L145 H146 H150 R151	M108-L148 HydrophobicContact CE-CD2 4.29Å; M108-L148 HydrophobicContact SD-CD2 4.17Å; L111-L148 HydrophobicContact CD1-CD1 3.63Å; L111-L148 HydrophobicContact CD1-CD2 3.79Å; L111-L148 HydrophobicContact CD1-CG 4.39Å; L121-L148 HydrophobicContact CD2-CD1 3.69Å; L145-L148 HydrophobicContact CD2-CD1 4.01Å; L145-L148 WeakPolarHBondContact O-CB 3.37Å; L145-L148 PolarHBondContact O-N 3.01Å; H146-L148 VanDerWaalsContact C-N 3.32Å; L148-H150 VanDerWaalsContact C-N 3.29Å; L148-H150 PolarHBondContact O-N 2.84Å; L148-R151 HydrophobicContact CB-CB 4.48Å; L148-R151 PolarHBondContact O-N 3.19Å
149	R	92.2	Very high	97.2	Very high	215 Å²	215	56.4 Å²	56.4	81%	0.811	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.9	-172.1	-63.2	-171.3	179.7	-148.9	0.5	115.5	S147	S147-R149 VanDerWaalsContact C-N 3.25Å; S147-R149 PolarHBondContact O-N 2.94Å
150	H	92.1	Very high	97	Very high	191 Å²	191	56.6 Å²	56.6	88%	0.884	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	13.9	-174.7	-59.6	-64	0	0	0	113.1	L148	L148-H150 VanDerWaalsContact C-N 3.29Å; L148-H150 PolarHBondContact O-N 2.84Å
151	R	94.9	Very high	96.8	Very high	32 Å²	32	58.9 Å²	58.9	12%	0.121	29%	0.289	C	S	.	.	S	Bend	trans	-129.9	133.3	-178.1	-175.7	178.7	-64.7	-84.7	7.2	109.4	L111 L116 R117 A119 L148 W153	L111-R151 PolarHBondContact O-NH2 2.69Å; L116-R151 VanDerWaalsContact O-CZ 3.24Å; L116-R151 PolarHBondContact O-NH1 3.46Å; L116-R151 PolarHBondContact O-NH2 2.86Å; R117-R151 PolarHBondContact O-NH1 2.86Å; R117-R151 PolarHBondContact O-NH2 3.32Å; A119-R151 PolarHBondContact O-NH1 3.38Å; L148-R151 HydrophobicContact CB-CB 4.48Å; L148-R151 PolarHBondContact O-N 3.19Å; R151-W153 VanDerWaalsContact O-CD1 3.32Å; R151-W153 PolarHBondContact O-N 3.28Å
152	N	96.2	Very high	96.6	Very high	91 Å²	91	56.6 Å²	56.6	49%	0.487	28%	0.281	S	S	.	.			trans	-71.4	120.9	170.1	-69.8	-23.4	0	0	0	108.7	V120 L121	V120-N152 HydrophobicContact CG1-CB 4.31Å; L121-N152 PolarHBondContact N-O 2.89Å
153	W	97.9	Very high	96.4	Very high	72 Å²	72	54.1 Å²	54.1	27%	0.273	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.7	176.7	66.2	-95.3	0	0	0	112.2	L121 T140 L145 R151 I155 W172	L121-W153 HydrophobicContact CB-CB 3.88Å; L121-W153 HydrophobicContact CD2-CB 4.03Å; L121-W153 HydrophobicContact CG-CB 4.14Å; L121-W153 CarbonylContact O-C 3.57Å; L121-W153 WeakPolarHBondContact O-CA 3.29Å; T140-W153 HydrophobicContact CG2-CH2 3.77Å; T140-W153 HydrophobicContact CG2-CZ3 4.21Å; L145-W153 HydrophobicContact CB-CD2 4.13Å; L145-W153 HydrophobicContact CB-CE3 4.11Å; L145-W153 HydrophobicContact CB-CH2 3.95Å; L145-W153 HydrophobicContact CB-CZ2 3.94Å; L145-W153 HydrophobicContact CB-CZ3 4.02Å; L145-W153 HydrophobicContact CD1-CE3 3.85Å; L145-W153 HydrophobicContact CD1-CZ3 3.83Å; L145-W153 PolarHBondContact O-NE1 2.72Å; R151-W153 VanDerWaalsContact O-CD1 3.32Å; R151-W153 PolarHBondContact O-N 3.28Å; W153-I155 HydrophobicContact CZ3-CG2 4.26Å; W153-W172 VanDerWaalsContact C-CH2 3.41Å; W153-W172 VanDerWaalsContact C-CZ2 3.45Å
154	Y	98.3	Very high	96.4	Very high	81 Å²	81	59.2 Å²	59.2	32%	0.318	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	150.3	171.6	177.6	-120	0	0	0	109.7	L121 L122 V123 Q156 W172	L121-Y154 PolarHBondContact O-N 3.17Å; L122-Y154 CarbonylContact C-O 3.59Å; L122-Y154 HydrophobicContact CD1-CD1 3.78Å; V123-Y154 PolarHBondContact N-O 3.23Å; Y154-Q156 HydrophobicContact CD1-CB 4.35Å; Y154-Q156 HydrophobicContact CE1-CB 3.81Å; Y154-Q156 HydrophobicContact CE1-CG 4.39Å; Y154-Q156 PolarHBondContact OH-OE1 3.34Å; Y154-W172 HydrophobicContact CD1-CB 3.81Å; Y154-W172 AromaticContact CD1-CD2 3.83Å; Y154-W172 HydrophobicContact CD1-CD2 3.83Å; Y154-W172 HydrophobicContact CD1-CE3 4.16Å; Y154-W172 AromaticContact CD1-CG 3.64Å; Y154-W172 HydrophobicContact CD1-CG 3.64Å; Y154-W172 HydrophobicContact CE1-CB 4.16Å; Y154-W172 HydrophobicContact CE1-CG 4.34Å; Y154-W172 AromaticContact CG-CD1 3.98Å; Y154-W172 AromaticContact CG-CD2 3.81Å; Y154-W172 HydrophobicContact CG-CD2 3.81Å; Y154-W172 AromaticContact CG-CE2 3.95Å; Y154-W172 HydrophobicContact CG-CE3 4.29Å; Y154-W172 AromaticContact CG-CG 3.87Å; Y154-W172 HydrophobicContact CG-CG 3.87Å
155	I	98.6	Very high	96.4	Very high	19 Å²	19	58.9 Å²	58.9	10%	0.097	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133.4	174	-174.3	162.9	0	0	0	109.1	V123 A125 A136 I139 L145 W153	V123-I155 HydrophobicContact CB-CB 4.12Å; V123-I155 HydrophobicContact CB-CD1 4.26Å; V123-I155 HydrophobicContact CB-CG1 3.96Å; V123-I155 HydrophobicContact CG1-CD1 3.86Å; V123-I155 HydrophobicContact CG1-CG1 3.97Å; V123-I155 CarbonylContact O-C 3.58Å; V123-I155 VanDerWaalsContact O-CA 3.31Å; V123-I155 WeakPolarHBondContact O-CA 3.2Å; A125-I155 HydrophobicContact CB-CD1 4.24Å; A125-I155 HydrophobicContact CB-CG1 4.24Å; A136-I155 HydrophobicContact CB-CD1 4.38Å; A136-I155 HydrophobicContact CB-CG1 4.29Å; A136-I155 HydrophobicContact CB-CG2 4.27Å; I139-I155 HydrophobicContact CB-CD1 3.87Å; I139-I155 HydrophobicContact CG2-CD1 3.59Å; L145-I155 HydrophobicContact CD1-CB 4.43Å; L145-I155 HydrophobicContact CD1-CD1 4.35Å; W153-I155 HydrophobicContact CZ3-CG2 4.26Å
156	Q	98.7	Very high	96.2	Very high	29 Å²	29	58.9 Å²	58.9	14%	0.136	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.6	179.9	-177.3	56.4	59.8	0	0	109.3	L122 V123 F124 A125 Y154 T158 G165 E168	L122-Q156 HydrophobicContact CD1-CB 4.39Å; V123-Q156 PolarHBondContact O-N 3.13Å; F124-Q156 HydrophobicContact CD1-CB 4.04Å; F124-Q156 HydrophobicContact CD1-CG 4.45Å; F124-Q156 HydrophobicContact CE1-CB 4.17Å; F124-Q156 HydrophobicContact CE1-CG 4.28Å; A125-Q156 PolarHBondContact N-O 3.26Å; Y154-Q156 HydrophobicContact CD1-CB 4.35Å; Y154-Q156 HydrophobicContact CE1-CB 3.81Å; Y154-Q156 HydrophobicContact CE1-CG 4.39Å; Y154-Q156 PolarHBondContact OH-OE1 3.34Å; Q156-T158 HydrophobicContact CB-CG2 4.38Å; Q156-T158 HydrophobicContact CG-CG2 3.88Å; Q156-G165 WeakPolarHBondContact CG-O 3.11Å; Q156-E168 HydrophobicContact CG-CB 4.46Å
157	A	98.7	Very high	96.1	Very high	37 Å²	37	58.1 Å²	58.1	31%	0.306	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	129.5	168.2	0	0	0	0	0	108.7	Q128	Q128-A157 HydrophobicContact CG-CB 4Å
158	T	98.4	Very high	96.1	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.018	29%	0.287	C	S	.	.			trans	-143.3	154.6	-173	52.9	0	0	0	0	114	F124 A125 N126 K127 Q128 Q156 D164 L166	F124-T158 HydrophobicContact CB-CG2 4.45Å; F124-T158 HydrophobicContact CD1-CG2 3.26Å; F124-T158 HydrophobicContact CE1-CG2 3.59Å; F124-T158 HydrophobicContact CG-CG2 4.06Å; A125-T158 PolarHBondContact O-N 3.27Å; A125-T158 PolarHBondContact O-OG1 3.38Å; N126-T158 CarbonylContact C-O 3.47Å; N126-T158 WeakPolarHBondContact CA-O 3.46Å; N126-T158 VanDerWaalsContact CA-OG1 3.28Å; N126-T158 WeakPolarHBondContact CA-OG1 3.07Å; K127-T158 PolarHBondContact N-O 2.66Å; K127-T158 VanDerWaalsContact N-O 3.11Å; Q128-T158 WeakPolarHBondContact CG-O 3.48Å; Q128-T158 PolarHBondContact N-O 2.95Å; Q128-T158 VanDerWaalsContact N-O 3.13Å; Q156-T158 HydrophobicContact CB-CG2 4.38Å; Q156-T158 HydrophobicContact CG-CG2 3.88Å; T158-D164 VanDerWaalsContact CA-O 3.24Å; T158-D164 WeakPolarHBondContact CA-O 3.3Å; T158-L166 HydrophobicContact CG2-CD2 3.92Å
159	C	97.7	Very high	96.1	Very high	8 Å²	8	58.4 Å²	58.4	5%	0.054	28%	0.281	C	S	.	.			trans	-130.5	106.1	166.7	177.6	0	0	0	0	108.6	D129 T161 S162 G163 D164	D129-C159 PolarHBondContact OD1-SG 2.82Å; D129-C159 VanDerWaalsContact OD1-SG 3.35Å; C159-T161 PolarHBondContact O-N 2.92Å; C159-T161 PolarHBondContact SG-OG1 3.37Å; C159-S162 VanDerWaalsContact CB-OG 3.32Å; C159-S162 WeakPolarHBondContact CB-OG 3.45Å; C159-S162 PolarHBondContact O-N 2.57Å; C159-S162 PolarHBondContact O-OG 3.43Å; C159-S162 PolarHBondContact SG-OG 2.89Å; C159-S162 VanDerWaalsContact SG-OG 3.4Å; C159-G163 WeakPolarHBondContact O-CA 3.49Å; C159-G163 PolarHBondContact O-N 2.91Å; C159-D164 HydrophobicContact CB-CB 4.41Å; C159-D164 PolarHBondContact N-O 3.13Å; C159-D164 PolarHBondContact O-N 2.86Å
160	A	95.7	Very high	96.2	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.033	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.3	-175.8	0	0	0	0	0	113.8	T32 I33 K36 N126	T32-A160 HydrophobicContact CG2-CB 3.78Å; I33-A160 HydrophobicContact CD1-CB 4.42Å; I33-A160 HydrophobicContact CG1-CB 3.48Å; I33-A160 VanDerWaalsContact CG1-CB 3.48Å; K36-A160 WeakPolarHBondContact CG-O 3.45Å; N126-A160 WeakPolarHBondContact OD1-CB 3.42Å; N126-A160 PolarHBondContact OD1-N 2.82Å
161	T	94.2	Very high	96.2	Very high	58 Å²	58	41.3 Å²	41.3	36%	0.356	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-50.2	-177.7	51.8	0	0	0	0	111.1	T32 K36 I42 C159	T32-T161 HydrophobicContact CG2-CG2 4.42Å; K36-T161 PolarHBondContact NZ-O 3.17Å; I42-T161 HydrophobicContact CD1-CG2 4.47Å; I42-T161 WeakPolarHBondContact CD1-O 3.37Å; I42-T161 WeakPolarHBondContact CG1-O 3.43Å; C159-T161 PolarHBondContact O-N 2.92Å; C159-T161 PolarHBondContact SG-OG1 3.37Å
162	S	94.4	Very high	96.2	Very high	55 Å²	55	42.1 Å²	42.1	39%	0.385	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-35.2	175.5	62.9	0	0	0	0	111.9	K36 C159 D164	K36-S162 WeakPolarHBondContact CE-O 3.48Å; K36-S162 PolarHBondContact NZ-O 2.88Å; C159-S162 VanDerWaalsContact CB-OG 3.32Å; C159-S162 WeakPolarHBondContact CB-OG 3.45Å; C159-S162 PolarHBondContact O-N 2.57Å; C159-S162 PolarHBondContact O-OG 3.43Å; C159-S162 PolarHBondContact SG-OG 2.89Å; C159-S162 VanDerWaalsContact SG-OG 3.4Å; S162-D164 WeakPolarHBondContact CB-OD2 3.45Å; S162-D164 WeakPolarHBondContact OG-CB 3.23Å; S162-D164 PolarHBondContact OG-N 3.19Å; S162-D164 PolarHBondContact OG-OD2 3.38Å
163	G	94.5	Very high	96.1	Very high	8 Å²	8	37.8 Å²	37.8	8%	0.082	19%	0.192	C	C	.	.			trans	96.3	-0.4	-171.1	0	0	0	0	0	113.3	C159 G165 L166	C159-G163 WeakPolarHBondContact O-CA 3.49Å; C159-G163 PolarHBondContact O-N 2.91Å; G163-G165 PolarHBondContact O-N 2.99Å; G163-L166 WeakPolarHBondContact O-CB 3.29Å; G163-L166 WeakPolarHBondContact O-CG 3.28Å; G163-L166 PolarHBondContact O-N 2.93Å
164	D	97.2	Very high	95.7	Very high	107 Å²	107	34.6 Å²	34.6	57%	0.572	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	134.5	-177.2	-60.8	-33.3	0	0	0	110.9	T158 C159 S162 L166	T158-D164 VanDerWaalsContact CA-O 3.24Å; T158-D164 WeakPolarHBondContact CA-O 3.3Å; C159-D164 HydrophobicContact CB-CB 4.41Å; C159-D164 PolarHBondContact N-O 3.13Å; C159-D164 PolarHBondContact O-N 2.86Å; S162-D164 WeakPolarHBondContact CB-OD2 3.45Å; S162-D164 WeakPolarHBondContact OG-CB 3.23Å; S162-D164 PolarHBondContact OG-N 3.19Å; S162-D164 PolarHBondContact OG-OD2 3.38Å; D164-L166 PolarHBondContact O-N 3.39Å; D164-L166 VanDerWaalsContact O-N 3.15Å
165	G	97.4	Very high	95.3	Very high	7 Å²	7	34.3 Å²	34.3	7%	0.072	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	-14.2	178.9	0	0	0	0	0	115.2	Q156 G163 Y167 E168 G169	Q156-G165 WeakPolarHBondContact CG-O 3.11Å; G163-G165 PolarHBondContact O-N 2.99Å; G165-Y167 PolarHBondContact O-N 3.45Å; G165-E168 WeakPolarHBondContact CA-OE2 3.49Å; G165-E168 PolarHBondContact N-OE2 3.14Å; G165-E168 PolarHBondContact O-N 3.47Å; G165-G169 PolarHBondContact O-N 3.13Å; G165-G169 VanDerWaalsContact O-N 3.12Å
166	L	95.2	Very high	95	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-46	-175.8	-63.9	-174.3	0	0	0	111.1	I33 K36 L37 F124 T158 G163 D164 G169 L170	I33-L166 HydrophobicContact CD1-CD2 4.18Å; I33-L166 HydrophobicContact CG1-CD2 3.94Å; I33-L166 HydrophobicContact CG2-CD1 4.36Å; I33-L166 HydrophobicContact CG2-CD2 3.97Å; K36-L166 HydrophobicContact CB-CD1 4.17Å; K36-L166 HydrophobicContact CG-CD1 3.84Å; L37-L166 HydrophobicContact CD2-CB 4.17Å; L37-L166 HydrophobicContact CD2-CD1 4.33Å; L37-L166 HydrophobicContact CG-CD1 4.44Å; F124-L166 HydrophobicContact CE1-CD2 4.42Å; F124-L166 HydrophobicContact CE2-CD2 4.31Å; F124-L166 HydrophobicContact CZ-CD2 4.19Å; T158-L166 HydrophobicContact CG2-CD2 3.92Å; G163-L166 WeakPolarHBondContact O-CB 3.29Å; G163-L166 WeakPolarHBondContact O-CG 3.28Å; G163-L166 PolarHBondContact O-N 2.93Å; D164-L166 PolarHBondContact O-N 3.39Å; D164-L166 VanDerWaalsContact O-N 3.15Å; L166-G169 PolarHBondContact O-N 2.58Å; L166-L170 WeakPolarHBondContact O-CG 3.23Å; L166-L170 PolarHBondContact O-N 3.21Å
167	Y	93.8	Very high	94.5	Very high	103 Å²	103	34.1 Å²	34.1	40%	0.404	18%	0.184	S	C	.	.	H	α-helix	trans	-71.2	-34.9	-177.3	-64.6	-62	0	0	0	112.3	L37 Y58 G165 L170 D171	L37-Y167 HydrophobicContact CD2-CD1 4.4Å; L37-Y167 HydrophobicContact CD2-CE1 4.04Å; Y58-Y167 HydrophobicContact CD2-CD1 4.02Å; Y58-Y167 HydrophobicContact CD2-CE1 4.25Å; Y58-Y167 AromaticContact CE2-CD1 3.32Å; Y58-Y167 HydrophobicContact CE2-CD1 3.32Å; Y58-Y167 AromaticContact CE2-CE1 3.89Å; Y58-Y167 HydrophobicContact CE2-CE1 3.89Å; Y58-Y167 HydrophobicContact CE2-CG 4.31Å; Y58-Y167 AromaticContact CZ-CD1 3.95Å; Y58-Y167 PolarHBondContact OH-O 2.92Å; G165-Y167 PolarHBondContact O-N 3.45Å; Y167-L170 PolarHBondContact O-N 3.35Å; Y167-D171 VanDerWaalsContact O-CB 3.3Å; Y167-D171 WeakPolarHBondContact O-CB 3.45Å; Y167-D171 PolarHBondContact O-N 3.22Å
168	E	96.1	Very high	93.7	Very high	106 Å²	106	40 Å²	40	50%	0.495	20%	0.198	S	C	.	.	H	α-helix	trans	-62	-44.1	174.4	-66.8	84.2	165.7	0	0	111.2	Q156 G165 D171 W172	Q156-E168 HydrophobicContact CG-CB 4.46Å; G165-E168 WeakPolarHBondContact CA-OE2 3.49Å; G165-E168 PolarHBondContact N-OE2 3.14Å; G165-E168 PolarHBondContact O-N 3.47Å; E168-D171 PolarHBondContact O-N 2.94Å; E168-W172 PolarHBondContact O-N 3.42Å
169	G	96.4	Very high	92.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-44.1	175.1	0	0	0	0	0	112.3	L122 G165 L166 D171 W172 L173	L122-G169 WeakPolarHBondContact CD2-O 3.48Å; G165-G169 PolarHBondContact O-N 3.13Å; G165-G169 VanDerWaalsContact O-N 3.12Å; L166-G169 PolarHBondContact O-N 2.58Å; G169-D171 VanDerWaalsContact C-N 3.3Å; G169-D171 PolarHBondContact O-N 3.2Å; G169-W172 PolarHBondContact O-N 3.04Å; G169-L173 PolarHBondContact O-N 2.89Å
170	L	93.2	Very high	91.5	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-32.1	176.2	-70	-177.2	0	0	0	112.9	L37 Y58 F63 I89 L166 Y167 L173 S174	L37-L170 HydrophobicContact CD1-CD1 3.8Å; L37-L170 HydrophobicContact CD2-CD1 3.45Å; L37-L170 VanDerWaalsContact CD2-CD1 3.45Å; L37-L170 HydrophobicContact CG-CD1 4.24Å; Y58-L170 HydrophobicContact CD1-CB 3.75Å; Y58-L170 HydrophobicContact CD1-CD1 4.29Å; Y58-L170 HydrophobicContact CD2-CD1 4.36Å; Y58-L170 HydrophobicContact CE1-CB 3.67Å; Y58-L170 HydrophobicContact CG-CB 4.39Å; Y58-L170 HydrophobicContact CG-CD1 4.11Å; F63-L170 HydrophobicContact CD2-CD2 4.5Å; F63-L170 HydrophobicContact CE2-CD1 4.43Å; F63-L170 HydrophobicContact CE2-CD2 3.92Å; F63-L170 HydrophobicContact CZ-CD2 4.37Å; I89-L170 HydrophobicContact CD1-CD2 4.05Å; L166-L170 WeakPolarHBondContact O-CG 3.23Å; L166-L170 PolarHBondContact O-N 3.21Å; Y167-L170 PolarHBondContact O-N 3.35Å; L170-L173 HydrophobicContact CD2-CD2 4.4Å; L170-L173 PolarHBondContact O-N 3.26Å; L170-S174 WeakPolarHBondContact O-CB 3.32Å; L170-S174 PolarHBondContact O-N 3.39Å
171	D	93.2	Very high	89.5	Confident	45 Å²	45	60.9 Å²	60.9	24%	0.241	29%	0.294	C	S	.	.	H	α-helix	trans	-66.1	-44.1	174.4	-97.1	-9.2	0	0	0	112.1	Y58 K59 Y167 E168 G169 N175	Y58-D171 WeakPolarHBondContact CE1-OD1 3.37Å; Y58-D171 VanDerWaalsContact OH-CG 3.3Å; Y58-D171 PolarHBondContact OH-OD1 3.49Å; K59-D171 WeakPolarHBondContact CD-OD1 3.41Å; K59-D171 WeakPolarHBondContact CE-OD1 3.24Å; K59-D171 IonicContact NZ-OD1 2.72Å; K59-D171 PolarHBondContact NZ-OD1 3.38Å; K59-D171 IonicContact NZ-OD2 3.08Å; K59-D171 PolarHBondContact NZ-OD2 2.82Å; Y167-D171 VanDerWaalsContact O-CB 3.3Å; Y167-D171 WeakPolarHBondContact O-CB 3.45Å; Y167-D171 PolarHBondContact O-N 3.22Å; E168-D171 PolarHBondContact O-N 2.94Å; G169-D171 VanDerWaalsContact C-N 3.3Å; G169-D171 PolarHBondContact O-N 3.2Å; D171-N175 WeakPolarHBondContact O-CB 3.12Å; D171-N175 VanDerWaalsContact O-CG 3.27Å; D171-N175 PolarHBondContact O-N 2.99Å; D171-N175 PolarHBondContact O-ND2 3.4Å
172	W	95.2	Very high	89.3	Confident	48 Å²	48	61 Å²	61	18%	0.182	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-50.1	171.9	178.4	91.2	0	0	0	111	V120 L121 L122 W153 Y154 E168 G169 S174 N175 Q176	V120-W172 HydrophobicContact CG1-CH2 3.32Å; V120-W172 HydrophobicContact CG1-CZ2 4.32Å; V120-W172 HydrophobicContact CG1-CZ3 3.48Å; V120-W172 VanDerWaalsContact CG1-CZ3 3.48Å; L121-W172 WeakPolarHBondContact O-CH2 3.2Å; L121-W172 WeakPolarHBondContact O-CZ3 3.42Å; L122-W172 HydrophobicContact CB-CE3 4.44Å; L122-W172 HydrophobicContact CB-CZ3 4.17Å; L122-W172 HydrophobicContact CD1-CE3 4.16Å; W153-W172 VanDerWaalsContact C-CH2 3.41Å; W153-W172 VanDerWaalsContact C-CZ2 3.45Å; Y154-W172 HydrophobicContact CD1-CB 3.81Å; Y154-W172 AromaticContact CD1-CD2 3.83Å; Y154-W172 HydrophobicContact CD1-CD2 3.83Å; Y154-W172 HydrophobicContact CD1-CE3 4.16Å; Y154-W172 AromaticContact CD1-CG 3.64Å; Y154-W172 HydrophobicContact CD1-CG 3.64Å; Y154-W172 HydrophobicContact CE1-CB 4.16Å; Y154-W172 HydrophobicContact CE1-CG 4.34Å; Y154-W172 AromaticContact CG-CD1 3.98Å; Y154-W172 AromaticContact CG-CD2 3.81Å; Y154-W172 HydrophobicContact CG-CD2 3.81Å; Y154-W172 AromaticContact CG-CE2 3.95Å; Y154-W172 HydrophobicContact CG-CE3 4.29Å; Y154-W172 AromaticContact CG-CG 3.87Å; Y154-W172 HydrophobicContact CG-CG 3.87Å; E168-W172 PolarHBondContact O-N 3.42Å; G169-W172 PolarHBondContact O-N 3.04Å; W172-S174 PolarHBondContact O-N 2.92Å; W172-N175 PolarHBondContact O-N 3.27Å; W172-Q176 HydrophobicContact CD2-CG 3.82Å; W172-Q176 VanDerWaalsContact CE2-CG 3.44Å; W172-Q176 HydrophobicContact CE3-CG 4.13Å; W172-Q176 HydrophobicContact CH2-CG 3.82Å; W172-Q176 HydrophobicContact CZ2-CG 3.47Å; W172-Q176 VanDerWaalsContact CZ2-CG 3.47Å; W172-Q176 HydrophobicContact CZ3-CG 4.14Å; W172-Q176 WeakPolarHBondContact O-CG 3.13Å; W172-Q176 PolarHBondContact O-N 2.62Å
173	L	93.2	Very high	89	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.6	-46.5	-178.6	-178.4	62.9	0	0	0	111.4	I20 F63 I89 V120 L122 G169 L170 N175 Q176 L177	I20-L173 HydrophobicContact CD1-CD2 4.21Å; I20-L173 HydrophobicContact CG2-CD2 4.36Å; F63-L173 HydrophobicContact CE1-CD2 4.38Å; I89-L173 HydrophobicContact CD1-CD2 3.97Å; I89-L173 HydrophobicContact CG1-CD2 3.96Å; V120-L173 HydrophobicContact CB-CD1 4.17Å; V120-L173 HydrophobicContact CG1-CD1 4.03Å; L122-L173 HydrophobicContact CD2-CB 4.25Å; L122-L173 HydrophobicContact CD2-CD2 4.34Å; G169-L173 PolarHBondContact O-N 2.89Å; L170-L173 HydrophobicContact CD2-CD2 4.4Å; L170-L173 PolarHBondContact O-N 3.26Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 2.82Å; L173-Q176 PolarHBondContact O-N 3.24Å; L173-L177 HydrophobicContact CD1-CD1 3.98Å; L173-L177 HydrophobicContact CD1-CG 4.19Å; L173-L177 HydrophobicContact CG-CD1 3.85Å; L173-L177 HydrophobicContact CG-CG 4.44Å; L173-L177 VanDerWaalsContact O-CG 3.26Å; L173-L177 WeakPolarHBondContact O-CG 3.19Å; L173-L177 PolarHBondContact O-N 3.32Å
174	S	89.8	Confident	88.7	Confident	5 Å²	5	64.3 Å²	64.3	4%	0.035	30%	0.297	C	S	.	.	H	α-helix	trans	-57.5	-44.7	176.9	176.1	0	0	0	0	112.1	I61 L170 W172 L177 R178	I61-S174 VanDerWaalsContact CD1-CA 3.49Å; I61-S174 WeakPolarHBondContact CD1-OG 3.21Å; L170-S174 WeakPolarHBondContact O-CB 3.32Å; L170-S174 PolarHBondContact O-N 3.39Å; W172-S174 PolarHBondContact O-N 2.92Å; S174-L177 PolarHBondContact O-N 3.17Å; S174-R178 VanDerWaalsContact O-CG 3.25Å; S174-R178 WeakPolarHBondContact O-CG 3.34Å; S174-R178 PolarHBondContact O-N 3.05Å; S174-R178 VanDerWaalsContact O-N 3.09Å
175	N	90.8	Very high	88.2	Confident	75 Å²	75	61.8 Å²	61.8	40%	0.401	28%	0.281	S	S	.	.	H	α-helix	trans	-66.8	-39.2	177.7	-72.9	-35.9	0	0	0	112.5	D171 W172 L173 N179	D171-N175 WeakPolarHBondContact O-CB 3.12Å; D171-N175 VanDerWaalsContact O-CG 3.27Å; D171-N175 PolarHBondContact O-N 2.99Å; D171-N175 PolarHBondContact O-ND2 3.4Å; W172-N175 PolarHBondContact O-N 3.27Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 2.82Å; N175-N179 PolarHBondContact O-N 3.44Å; N175-N179 PolarHBondContact O-ND2 3.12Å
176	Q	92	Very high	87.7	Confident	44 Å²	44	65.2 Å²	65.2	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-46	176.3	-67.5	-54.5	-42.7	0	0	112	V120 W172 L173 R178 N179 Q180	V120-Q176 HydrophobicContact CG1-CB 3.79Å; V120-Q176 HydrophobicContact CG1-CG 4.06Å; V120-Q176 HydrophobicContact CG2-CB 4.11Å; W172-Q176 HydrophobicContact CD2-CG 3.82Å; W172-Q176 VanDerWaalsContact CE2-CG 3.44Å; W172-Q176 HydrophobicContact CE3-CG 4.13Å; W172-Q176 HydrophobicContact CH2-CG 3.82Å; W172-Q176 HydrophobicContact CZ2-CG 3.47Å; W172-Q176 VanDerWaalsContact CZ2-CG 3.47Å; W172-Q176 HydrophobicContact CZ3-CG 4.14Å; W172-Q176 WeakPolarHBondContact O-CG 3.13Å; W172-Q176 PolarHBondContact O-N 2.62Å; L173-Q176 PolarHBondContact O-N 3.24Å; Q176-R178 VanDerWaalsContact C-N 3.31Å; Q176-R178 PolarHBondContact O-N 3.01Å; Q176-N179 PolarHBondContact O-N 2.72Å; Q176-N179 VanDerWaalsContact O-N 3.08Å; Q176-Q180 PolarHBondContact O-N 2.92Å
177	L	87.8	Confident	87.2	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-69.9	-27	-177.5	-64.5	171.3	0	0	0	113.2	M18 I20 F63 Q86 V120 L173 S174 N179	M18-L177 HydrophobicContact CB-CD1 4.47Å; M18-L177 HydrophobicContact CE-CB 3.83Å; M18-L177 HydrophobicContact CG-CD1 4.41Å; M18-L177 HydrophobicContact SD-CB 4.45Å; I20-L177 HydrophobicContact CD1-CD1 3.62Å; F63-L177 HydrophobicContact CE1-CD1 4.27Å; Q86-L177 HydrophobicContact CB-CD2 3.84Å; Q86-L177 VanDerWaalsContact O-CD2 3.29Å; Q86-L177 WeakPolarHBondContact O-CD2 3.33Å; V120-L177 HydrophobicContact CB-CD2 4.27Å; V120-L177 HydrophobicContact CG2-CD2 3.88Å; L173-L177 HydrophobicContact CD1-CD1 3.98Å; L173-L177 HydrophobicContact CD1-CG 4.19Å; L173-L177 HydrophobicContact CG-CD1 3.85Å; L173-L177 HydrophobicContact CG-CG 4.44Å; L173-L177 VanDerWaalsContact O-CG 3.26Å; L173-L177 WeakPolarHBondContact O-CG 3.19Å; L173-L177 PolarHBondContact O-N 3.32Å; S174-L177 PolarHBondContact O-N 3.17Å; L177-N179 PolarHBondContact O-N 2.75Å
178	R	82.5	Confident	86.7	Confident	160 Å²	160	67.1 Å²	67.1	60%	0.604	31%	0.306	S	S	*	.	H	α-helix	trans	-67.6	-27	171.5	-75.7	174.3	68.9	-145.4	-2	112.7	S174 Q176	S174-R178 VanDerWaalsContact O-CG 3.25Å; S174-R178 WeakPolarHBondContact O-CG 3.34Å; S174-R178 PolarHBondContact O-N 3.05Å; S174-R178 VanDerWaalsContact O-N 3.09Å; Q176-R178 VanDerWaalsContact C-N 3.31Å; Q176-R178 PolarHBondContact O-N 3.01Å
179	N	77.6	Confident	86	Confident	123 Å²	123	64.1 Å²	64.1	66%	0.658	29%	0.292	S	S	*	.	H	α-helix	trans	-89.4	-15.5	-178.5	-66.2	-23.2	0	0	0	113.1	N175 Q176 L177 K181	N175-N179 PolarHBondContact O-N 3.44Å; N175-N179 PolarHBondContact O-ND2 3.12Å; Q176-N179 PolarHBondContact O-N 2.72Å; Q176-N179 VanDerWaalsContact O-N 3.08Å; L177-N179 PolarHBondContact O-N 2.75Å; N179-K181 PolarHBondContact O-N 3.26Å
180	Q	71.8	Confident	85.1	Confident	60 Å²	60	69.4 Å²	69.4	28%	0.28	32%	0.316	S	S	.	.			trans	-72.1	110.1	169.2	-75.4	-172.8	-29.7	0	0	109.4	D118 Q176	D118-Q180 PolarHBondContact O-NE2 3.23Å; Q176-Q180 PolarHBondContact O-N 2.92Å
181	K	54.2	Low	84.4	Confident	271 Å²	271	75.5 Å²	75.5	100%	1.178	34%	0.344	S	S	*	.			trans	-78	0	176.8	-78.1	-173.2	176.8	-179	0	111.2	N179	N179-K181 PolarHBondContact O-N 3.26Å

Retrieved 181 of 181 residues in 1032.3 ms (Link to these results)

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