A0A077ZMD1_TRITR Loading...

ADP-ribosylation factor

GTP-binding protein involved in protein trafficking; modulates vesicle budding and uncoating within the Golgi apparatus. Small GTPase involved in protein trafficking between different compartments. Modulates vesicle budding and uncoating within the Golgi complex. In its GTP-bound form, triggers the recruitment of coatomer proteins to the Golgi membrane. The hydrolysis of ARF1-bound GTP, which is mediated by ARFGAPs proteins, is required for dissociation of coat proteins from Golgi membranes and vesicles. Involved in endoplasmic reticulum dynamics during embryogenesis. Also required for adult germline function. Plays a role in cell shedding during embryogenesis probably by promoting the endocytosis of cell adhesion molecules. During neurogenesis, involved in cell autonomous Q.p neuroblast asymmetric divisions that generate one precursor cell and one apoptotic cell, probably by controlling endocytosis. Plays a role in maintaining mitochondrial morphology.

AlphaFold DB , UniProt , Accession A0A077ZMD1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 180 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.2	Very low	49.5	Very low	239 Å²	239	123.4 Å²	123.4	100%	1.177	68%	0.677	S	S	*	*				0	107.5	0	-69.6	-161.6	-78.3	0	0	107.6	L3	M1-L3 PolarHBondContact O-N 3.23Å
2	G	42.1	Very low	49.9	Very low	78 Å²	78	125 Å²	125	80%	0.804	68%	0.683	S	S	*	*			trans	-77.1	114.1	-165.6	0	0	0	0	0	112.7	T4	G2-T4 PolarHBondContact O-N 3.4Å
3	L	48.8	Very low	50.7	Low	146 Å²	146	126.6 Å²	126.6	76%	0.764	68%	0.68	S	S	*	*			trans	-65.8	112.6	165.1	-71.7	162.6	0	0	0	107.8	M1 L5	M1-L3 PolarHBondContact O-N 3.23Å; L3-L5 PolarHBondContact O-N 3Å
4	T	53.6	Low	51.7	Low	86 Å²	86	122.5 Å²	122.5	53%	0.528	68%	0.682	S	S	.	*			trans	-60.9	127.4	179.3	47.6	0	0	0	0	110.4	G2 S6 S7	G2-T4 PolarHBondContact O-N 3.4Å; T4-S6 PolarHBondContact O-N 3.39Å; T4-S6 PolarHBondContact OG1-OG 3.48Å; T4-S7 PolarHBondContact O-N 3.4Å; T4-S7 PolarHBondContact O-OG 2.95Å
5	L	53	Low	52.9	Low	151 Å²	151	121.3 Å²	121.3	79%	0.791	67%	0.667	S	S	*	*	H	α-helix	trans	-49.3	-26.4	177.6	-79.8	154.8	0	0	0	113.6	L3 S7 L8 F9	L3-L5 PolarHBondContact O-N 3Å; L5-S7 PolarHBondContact O-N 3.46Å; L5-L8 PolarHBondContact O-N 2.94Å; L5-F9 PolarHBondContact O-N 3.36Å; L5-F9 VanDerWaalsContact O-N 3.08Å
6	S	54.1	Low	54.6	Low	83 Å²	83	119.2 Å²	119.2	58%	0.58	65%	0.646	S	S	*	*	H	α-helix	trans	-62.1	-37.9	176.4	56	0	0	0	0	114.1	T4 L8 F9 S10	T4-S6 PolarHBondContact O-N 3.39Å; T4-S6 PolarHBondContact OG1-OG 3.48Å; S6-L8 VanDerWaalsContact C-N 3.33Å; S6-F9 PolarHBondContact O-N 3.22Å; S6-S10 PolarHBondContact O-N 3.46Å; S6-S10 VanDerWaalsContact O-N 3.14Å; S6-S10 PolarHBondContact O-OG 3.08Å
7	S	51.1	Low	56.3	Low	48 Å²	48	121.6 Å²	121.6	34%	0.336	65%	0.652	S	S	.	*	H	α-helix	trans	-77.6	-20.7	-179.4	61.5	0	0	0	0	113.2	T4 L5 S10	T4-S7 PolarHBondContact O-N 3.4Å; T4-S7 PolarHBondContact O-OG 2.95Å; L5-S7 PolarHBondContact O-N 3.46Å; S7-S10 PolarHBondContact O-OG 3.16Å
8	L	50.3	Low	58	Low	91 Å²	91	115 Å²	115	48%	0.476	62%	0.617	S	S	.	*	H	α-helix	trans	-80.6	-38.4	171.9	-82.3	160.5	0	0	0	110.8	L5 S6 R11 L12	L5-L8 PolarHBondContact O-N 2.94Å; S6-L8 VanDerWaalsContact C-N 3.33Å; L8-R11 PolarHBondContact O-N 3.15Å; L8-L12 PolarHBondContact O-N 3.14Å
9	F	49.8	Very low	59.6	Low	133 Å²	133	112.6 Å²	112.6	58%	0.583	60%	0.598	S	S	*	*	H	α-helix	trans	-67	-36.9	177.5	-139.5	-103	0	0	0	112.5	L5 S6 R11 L12 F13	L5-F9 PolarHBondContact O-N 3.36Å; L5-F9 VanDerWaalsContact O-N 3.08Å; S6-F9 PolarHBondContact O-N 3.22Å; F9-R11 PolarHBondContact O-N 3.22Å; F9-L12 PolarHBondContact O-N 3.31Å; F9-F13 AromaticContact CD1-CD2 3.79Å; F9-F13 HydrophobicContact CD1-CD2 3.79Å; F9-F13 AromaticContact CD1-CE2 3.75Å; F9-F13 HydrophobicContact CD1-CE2 3.75Å; F9-F13 AromaticContact CE1-CD2 3.73Å; F9-F13 HydrophobicContact CE1-CD2 3.73Å; F9-F13 AromaticContact CE1-CE2 3.17Å; F9-F13 HydrophobicContact CE1-CE2 3.17Å; F9-F13 HydrophobicContact CE1-CZ 4.03Å; F9-F13 HydrophobicContact CZ-CD2 4.5Å; F9-F13 AromaticContact CZ-CE2 3.73Å; F9-F13 HydrophobicContact CZ-CE2 3.73Å; F9-F13 PolarHBondContact O-N 3.32Å; F9-F13 VanDerWaalsContact O-N 3.15Å
10	S	49.3	Very low	61.1	Low	84 Å²	84	107 Å²	107	59%	0.587	57%	0.568	S	S	*	*	H	α-helix	trans	-68.9	-18.3	175	65.8	0	0	0	0	114.2	S6 S7	S6-S10 PolarHBondContact O-N 3.46Å; S6-S10 VanDerWaalsContact O-N 3.14Å; S6-S10 PolarHBondContact O-OG 3.08Å; S7-S10 PolarHBondContact O-OG 3.16Å
11	R	48.7	Very low	62.6	Low	218 Å²	218	101.9 Å²	101.9	82%	0.823	54%	0.541	S	S	*	.	H	α-helix	trans	-88.2	-19.5	174.2	-77.8	-177.5	177.3	176.2	0.2	113	L8 F9	L8-R11 PolarHBondContact O-N 3.15Å; F9-R11 PolarHBondContact O-N 3.22Å
12	L	54.1	Low	65	Low	143 Å²	143	90.6 Å²	90.6	75%	0.749	49%	0.485	S	S	*	.	H	α-helix	trans	-92.6	-25.7	179	-75.2	171.3	0	0	0	113.1	L8 F9 G14	L8-L12 PolarHBondContact O-N 3.14Å; F9-L12 PolarHBondContact O-N 3.31Å; L12-G14 PolarHBondContact O-N 3.15Å
13	F	59.6	Low	67.4	Low	146 Å²	146	86.9 Å²	86.9	64%	0.64	45%	0.447	S	S	*	.	S	Bend	trans	-82.8	112.9	168.9	-87.8	-101.1	0	0	0	109.6	F9	F9-F13 AromaticContact CD1-CD2 3.79Å; F9-F13 HydrophobicContact CD1-CD2 3.79Å; F9-F13 AromaticContact CD1-CE2 3.75Å; F9-F13 HydrophobicContact CD1-CE2 3.75Å; F9-F13 AromaticContact CE1-CD2 3.73Å; F9-F13 HydrophobicContact CE1-CD2 3.73Å; F9-F13 AromaticContact CE1-CE2 3.17Å; F9-F13 HydrophobicContact CE1-CE2 3.17Å; F9-F13 HydrophobicContact CE1-CZ 4.03Å; F9-F13 HydrophobicContact CZ-CD2 4.5Å; F9-F13 AromaticContact CZ-CE2 3.73Å; F9-F13 HydrophobicContact CZ-CE2 3.73Å; F9-F13 PolarHBondContact O-N 3.32Å; F9-F13 VanDerWaalsContact O-N 3.15Å
14	G	65	Low	69.7	Low	69 Å²	69	79.9 Å²	79.9	71%	0.711	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-53.2	155.5	174.9	0	0	0	0	0	112.2	L12 R16	L12-G14 PolarHBondContact O-N 3.15Å; G14-R16 PolarHBondContact O-N 3.47Å
15	K	69.7	Low	71.6	Confident	104 Å²	104	76.1 Å²	76.1	45%	0.452	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-59.1	131	177.5	-64.3	-174.2	-174.6	-176.5	0	109.6	Q17 D57 N60 S62	K15-Q17 PolarHBondContact O-N 3.45Å; K15-D57 IonicContact NZ-OD1 3.7Å; K15-D57 IonicContact NZ-OD2 2.69Å; K15-D57 PolarHBondContact NZ-OD2 2.75Å; K15-N60 CarbonylContact C-O 3.58Å; K15-N60 WeakPolarHBondContact CA-O 3.06Å; K15-S62 WeakPolarHBondContact CD-OG 3.42Å
16	R	80.8	Confident	73.5	Confident	88 Å²	88	71 Å²	71	33%	0.332	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	117.5	171.7	-175.6	179.6	178.2	163.8	0.4	107.4	G14 V18 N60 I61 S62 L177 R180	G14-R16 PolarHBondContact O-N 3.47Å; R16-V18 HydrophobicContact CG-CG2 4.04Å; R16-N60 PolarHBondContact N-O 2.78Å; R16-I61 WeakPolarHBondContact O-CA 3.01Å; R16-S62 PolarHBondContact O-N 2.97Å; R16-S62 VanDerWaalsContact O-N 3.07Å; R16-L177 PolarHBondContact NH1-O 3.47Å; R16-L177 PolarHBondContact NH2-O 3.01Å; R16-R180 PolarHBondContact NH1-OXT 3.29Å; R16-R180 PolarHBondContact NH2-OXT 3.21Å
17	Q	82.9	Confident	75.4	Confident	161 Å²	161	70.1 Å²	70.1	75%	0.752	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	126.8	173.1	-64.5	-173.6	6.2	0	0	108.6	K15	K15-Q17 PolarHBondContact O-N 3.45Å
18	V	86.6	Confident	77.5	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.012	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.3	177.4	177.5	0	0	0	0	108.2	R16 I20 I61 S62 T64 Q86 L177	R16-V18 HydrophobicContact CG-CG2 4.04Å; V18-I20 HydrophobicContact CG1-CD1 3.71Å; V18-I20 HydrophobicContact CG1-CG1 4.17Å; V18-I61 HydrophobicContact CB-CG2 3.76Å; V18-I61 HydrophobicContact CG2-CG2 3.64Å; V18-S62 PolarHBondContact N-O 3.03Å; V18-S62 VanDerWaalsContact O-O 3.07Å; V18-T64 PolarHBondContact O-N 3.34Å; V18-Q86 VanDerWaalsContact CA-OE1 3.32Å; V18-Q86 HydrophobicContact CG1-CB 3.77Å; V18-L177 HydrophobicContact CG1-CD1 3.8Å; V18-L177 HydrophobicContact CG1-CD2 4.34Å
19	R	89.7	Confident	79.6	Confident	70 Å²	70	64.1 Å²	64.1	26%	0.264	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	119.5	172.2	176.6	177.1	-86.9	-99.4	-0.1	109.8	W66 Q83 N84 Q86 G87	R19-W66 VanDerWaalsContact NH1-CE2 3.29Å; R19-W66 VanDerWaalsContact NH2-CZ2 3.33Å; R19-Q83 VanDerWaalsContact CD-O 3.31Å; R19-Q83 WeakPolarHBondContact CD-O 3.34Å; R19-N84 WeakPolarHBondContact CB-O 3.13Å; R19-Q86 PolarHBondContact O-N 3.07Å; R19-G87 PolarHBondContact O-N 2.92Å
20	I	89.9	Confident	81.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.3	176.1	-61	-60.8	0	0	0	109.8	V18 F63 T64 V65 G87 I89 L173 L177	V18-I20 HydrophobicContact CG1-CD1 3.71Å; V18-I20 HydrophobicContact CG1-CG1 4.17Å; I20-F63 HydrophobicContact CB-CD1 4.43Å; I20-F63 HydrophobicContact CD1-CD1 4.03Å; I20-F63 HydrophobicContact CD1-CE1 4.2Å; I20-F63 HydrophobicContact CG1-CB 4.11Å; I20-F63 HydrophobicContact CG1-CD1 3.26Å; I20-F63 HydrophobicContact CG1-CE1 3.9Å; I20-F63 HydrophobicContact CG1-CG 4.03Å; I20-T64 PolarHBondContact N-O 3.4Å; I20-V65 WeakPolarHBondContact O-CA 3.37Å; I20-G87 VanDerWaalsContact CA-O 3.27Å; I20-G87 WeakPolarHBondContact CA-O 3.44Å; I20-G87 VanDerWaalsContact CD1-CA 3.44Å; I20-I89 HydrophobicContact CG2-CB 4.47Å; I20-I89 HydrophobicContact CG2-CD1 3.7Å; I20-I89 HydrophobicContact CG2-CG1 3.7Å; I20-L173 HydrophobicContact CD1-CD2 4.09Å; I20-L177 HydrophobicContact CD1-CD1 3.88Å
21	L	92.2	Very high	83.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.8	171.3	-178.7	56.5	0	0	0	109.2	V23 W66 V68 F82 T85 G87 L88 I89 M110	L21-V23 HydrophobicContact CD1-CG1 3.8Å; L21-V23 HydrophobicContact CD2-CG1 4.16Å; L21-V23 HydrophobicContact CG-CG1 3.73Å; L21-V23 HydrophobicContact CG-CG2 4.48Å; L21-W66 HydrophobicContact CD1-CB 3.82Å; L21-V68 HydrophobicContact CD1-CG2 4.37Å; L21-F82 HydrophobicContact CD2-CD1 3.49Å; L21-F82 VanDerWaalsContact CD2-CD1 3.49Å; L21-F82 HydrophobicContact CD2-CE1 3.66Å; L21-T85 HydrophobicContact CB-CG2 3.7Å; L21-G87 PolarHBondContact N-O 3.26Å; L21-L88 HydrophobicContact CB-CD1 4.02Å; L21-L88 HydrophobicContact CD2-CD1 4.12Å; L21-L88 HydrophobicContact CG-CD1 4.04Å; L21-I89 PolarHBondContact O-N 3.24Å; L21-M110 HydrophobicContact CD2-CE 4.01Å
22	M	93.7	Very high	85.8	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	114.9	174.2	-174.9	-178.5	-64.8	0	0	110.3	K30 I33 V65 W66 I89 V91	M22-K30 HydrophobicContact CG-CB 4.31Å; M22-K30 HydrophobicContact CG-CG 4.35Å; M22-K30 HydrophobicContact SD-CB 4.1Å; M22-I33 HydrophobicContact CE-CG2 3.83Å; M22-I33 HydrophobicContact SD-CB 4.39Å; M22-I33 HydrophobicContact SD-CG2 4.23Å; M22-V65 HydrophobicContact CB-CG1 3.42Å; M22-V65 VanDerWaalsContact CB-CG1 3.42Å; M22-V65 HydrophobicContact CE-CG1 3.87Å; M22-V65 HydrophobicContact CG-CG1 4.36Å; M22-V65 HydrophobicContact SD-CG1 4.16Å; M22-W66 PolarHBondContact N-O 3.11Å; M22-I89 WeakPolarHBondContact CA-O 3.49Å; M22-I89 HydrophobicContact CB-CB 4.32Å; M22-I89 HydrophobicContact CE-CB 4.45Å; M22-I89 HydrophobicContact CE-CD1 3.91Å; M22-I89 HydrophobicContact CE-CG2 4.18Å; M22-I89 HydrophobicContact CG-CB 4.18Å; M22-I89 HydrophobicContact CG-CG2 4.11Å; M22-V91 HydrophobicContact CG-CG2 3.91Å; M22-V91 HydrophobicContact SD-CG2 4.24Å
23	V	93.7	Very high	87.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	173.9	-170.6	-74.1	0	0	0	0	110.4	L21 W78 L88 I89 F90 V91 M110	L21-V23 HydrophobicContact CD1-CG1 3.8Å; L21-V23 HydrophobicContact CD2-CG1 4.16Å; L21-V23 HydrophobicContact CG-CG1 3.73Å; L21-V23 HydrophobicContact CG-CG2 4.48Å; V23-W78 HydrophobicContact CB-CD2 4.38Å; V23-W78 HydrophobicContact CB-CZ2 4.44Å; V23-W78 HydrophobicContact CG1-CD2 4.05Å; V23-W78 HydrophobicContact CG1-CG 4.13Å; V23-L88 HydrophobicContact CG2-CD1 3.49Å; V23-L88 VanDerWaalsContact CG2-CD1 3.49Å; V23-I89 PolarHBondContact N-O 3.02Å; V23-F90 HydrophobicContact CG2-CD2 3.85Å; V23-F90 HydrophobicContact CG2-CE2 4.46Å; V23-F90 CarbonylContact O-C 3.59Å; V23-F90 WeakPolarHBondContact O-CA 3.36Å; V23-V91 PolarHBondContact O-N 2.68Å; V23-M110 HydrophobicContact CB-CE 4.37Å; V23-M110 HydrophobicContact CB-SD 4.29Å; V23-M110 HydrophobicContact CG1-CE 4.35Å; V23-M110 HydrophobicContact CG2-CE 3.6Å; V23-M110 HydrophobicContact CG2-SD 3.75Å
24	G	95.4	Very high	89.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.			trans	141.7	169.2	-171.1	0	0	0	0	0	109.9	K30 G70 W78 V91	G24-K30 PolarHBondContact O-NZ 2.65Å; G24-G70 WeakPolarHBondContact O-CA 3.42Å; G24-W78 WeakPolarHBondContact O-CZ2 3.44Å; G24-V91 WeakPolarHBondContact CA-O 3.18Å
25	L	95	Very high	90.2	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.037	16%	0.156	C	C	.	.	S	Bend	trans	-62.2	164.1	-177.9	-53.2	-164.3	0	0	0	112	A28 K30 R99 E102 S103 E106	L25-A28 VanDerWaalsContact O-CB 3.29Å; L25-A28 WeakPolarHBondContact O-CB 3.23Å; L25-A28 PolarHBondContact O-N 2.73Å; L25-K30 PolarHBondContact O-NZ 3.4Å; L25-R99 HydrophobicContact CD1-CB 3.83Å; L25-R99 WeakPolarHBondContact CD1-O 3.29Å; L25-E102 HydrophobicContact CD1-CB 4.19Å; L25-E102 HydrophobicContact CD1-CG 3.99Å; L25-E102 HydrophobicContact CD2-CG 4.36Å; L25-S103 WeakPolarHBondContact CD1-OG 3.49Å; L25-S103 WeakPolarHBondContact CG-OG 3.38Å; L25-E106 HydrophobicContact CD2-CB 4.48Å; L25-E106 HydrophobicContact CD2-CG 4.16Å
26	D	92.3	Very high	91.2	Very high	42 Å²	42	28.5 Å²	28.5	23%	0.225	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	152.5	169.6	59.2	-79	0	0	0	110.7	A28 G70 Q71 R99	D26-A28 PolarHBondContact O-N 2.71Å; D26-G70 PolarHBondContact N-O 3.42Å; D26-Q71 HydrophobicContact CB-CG 4.06Å; D26-R99 VanDerWaalsContact CG-NH1 3.33Å; D26-R99 IonicContact OD1-NH1 3.48Å; D26-R99 PolarHBondContact OD1-NH1 3.2Å; D26-R99 VanDerWaalsContact OD1-NH1 3.16Å; D26-R99 IonicContact OD2-CZ 3.56Å; D26-R99 IonicContact OD2-NH1 3.6Å; D26-R99 PolarHBondContact OD2-NH1 3.32Å; D26-R99 IonicContact OD2-NH2 3.62Å
27	A	93.2	Very high	91.5	Very high	65 Å²	65	25.4 Å²	25.4	54%	0.537	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	0.3	-175.1	0	0	0	0	0	116.6	G29 K127	A27-G29 PolarHBondContact O-N 2.9Å; A27-G29 VanDerWaalsContact O-N 3.1Å; A27-K127 WeakPolarHBondContact O-CE 3.11Å; A27-K127 PolarHBondContact O-NZ 2.86Å
28	A	96.3	Very high	91.5	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.008	12%	0.116	C	C	.	.	S	Bend	trans	-62.2	-18.7	177.4	0	0	0	0	0	114.7	L25 D26 V91 N126	L25-A28 VanDerWaalsContact O-CB 3.29Å; L25-A28 WeakPolarHBondContact O-CB 3.23Å; L25-A28 PolarHBondContact O-N 2.73Å; D26-A28 PolarHBondContact O-N 2.71Å; A28-V91 HydrophobicContact CB-CB 4.32Å; A28-V91 HydrophobicContact CB-CG1 4.09Å; A28-V91 WeakPolarHBondContact CB-O 3.27Å; A28-V91 WeakPolarHBondContact O-CG1 3.44Å; A28-N126 PolarHBondContact O-ND2 2.91Å
29	G	94.9	Very high	91.4	Very high	12 Å²	12	26.6 Å²	26.6	12%	0.124	14%	0.139	C	C	.	.	S	Bend	trans	100.1	18	176.3	0	0	0	0	0	115.2	A27 T31 T32 I33	A27-G29 PolarHBondContact O-N 2.9Å; A27-G29 VanDerWaalsContact O-N 3.1Å; G29-T31 PolarHBondContact O-N 2.61Å; G29-T32 WeakPolarHBondContact O-CB 3.49Å; G29-T32 PolarHBondContact O-N 2.92Å; G29-I33 WeakPolarHBondContact O-CG1 3.1Å; G29-I33 PolarHBondContact O-N 3.22Å
30	K	93.2	Very high	90.8	Very high	11 Å²	11	25.2 Å²	25.2	5%	0.048	15%	0.147	C	C	.	.	H	α-helix	trans	-52.7	-53.9	177.7	-59.1	-175.1	-61.2	-79.1	0	112.8	M22 G24 L25 T32 I33 L34 D67 V68 V91	M22-K30 HydrophobicContact CG-CB 4.31Å; M22-K30 HydrophobicContact CG-CG 4.35Å; M22-K30 HydrophobicContact SD-CB 4.1Å; G24-K30 PolarHBondContact O-NZ 2.65Å; L25-K30 PolarHBondContact O-NZ 3.4Å; K30-T32 VanDerWaalsContact C-N 3.3Å; K30-T32 PolarHBondContact O-N 3.49Å; K30-I33 WeakPolarHBondContact O-CB 3.12Å; K30-I33 PolarHBondContact O-N 2.98Å; K30-I33 VanDerWaalsContact O-N 3.15Å; K30-L34 PolarHBondContact O-N 2.7Å; K30-D67 WeakPolarHBondContact CB-OD1 3.31Å; K30-D67 WeakPolarHBondContact CE-OD1 3.42Å; K30-V68 WeakPolarHBondContact CE-O 3.49Å; K30-V91 HydrophobicContact CG-CB 3.84Å; K30-V91 HydrophobicContact CG-CG1 4.46Å; K30-V91 HydrophobicContact CG-CG2 3.83Å
31	T	90.2	Very high	89.8	Confident	21 Å²	21	31.7 Å²	31.7	13%	0.129	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-39.9	178.3	-42.4	0	0	0	0	111.9	G29 L34 Y35 T45 T48 D67	G29-T31 PolarHBondContact O-N 2.61Å; T31-L34 PolarHBondContact O-N 3.25Å; T31-Y35 HydrophobicContact CG2-CD2 3.71Å; T31-Y35 HydrophobicContact CG2-CE2 3.55Å; T31-Y35 VanDerWaalsContact O-CD2 3.24Å; T31-Y35 WeakPolarHBondContact O-CD2 3.18Å; T31-Y35 PolarHBondContact O-N 2.97Å; T31-T45 HydrophobicContact CG2-CG2 3.63Å; T31-T48 PolarHBondContact OG1-OG1 3.38Å; T31-T48 VanDerWaalsContact OG1-OG1 3.08Å; T31-D67 VanDerWaalsContact CA-OD2 3.24Å; T31-D67 WeakPolarHBondContact CA-OD2 3.25Å; T31-D67 VanDerWaalsContact CB-OD2 3.26Å; T31-D67 WeakPolarHBondContact CB-OD2 3.07Å; T31-D67 PolarHBondContact N-OD2 3.08Å; T31-D67 PolarHBondContact OG1-OD2 2.98Å
32	T	92.6	Very high	88.6	Confident	21 Å²	21	36.5 Å²	36.5	13%	0.129	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-45.2	175	-47.1	0	0	0	0	111.6	G29 K30 L34 K36 A160 T161	G29-T32 WeakPolarHBondContact O-CB 3.49Å; G29-T32 PolarHBondContact O-N 2.92Å; K30-T32 VanDerWaalsContact C-N 3.3Å; K30-T32 PolarHBondContact O-N 3.49Å; T32-L34 VanDerWaalsContact C-N 3.33Å; T32-L34 PolarHBondContact O-N 3.41Å; T32-K36 WeakPolarHBondContact O-CB 3.43Å; T32-K36 PolarHBondContact O-N 3.4Å; T32-A160 HydrophobicContact CG2-CB 3.83Å; T32-T161 HydrophobicContact CG2-CG2 4.24Å
33	I	93.3	Very high	87.5	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-46.7	175.2	-68.9	171.7	0	0	0	110	M22 G29 K30 Y35 K36 L37 V91 F124 A160 L166	M22-I33 HydrophobicContact CE-CG2 3.83Å; M22-I33 HydrophobicContact SD-CB 4.39Å; M22-I33 HydrophobicContact SD-CG2 4.23Å; G29-I33 WeakPolarHBondContact O-CG1 3.1Å; G29-I33 PolarHBondContact O-N 3.22Å; K30-I33 WeakPolarHBondContact O-CB 3.12Å; K30-I33 PolarHBondContact O-N 2.98Å; K30-I33 VanDerWaalsContact O-N 3.15Å; I33-Y35 PolarHBondContact O-N 3.44Å; I33-K36 PolarHBondContact O-N 3.44Å; I33-L37 HydrophobicContact CG2-CD1 3.73Å; I33-L37 HydrophobicContact CG2-CG 4.31Å; I33-L37 WeakPolarHBondContact O-CB 3.33Å; I33-L37 VanDerWaalsContact O-CG 3.27Å; I33-L37 WeakPolarHBondContact O-CG 3.49Å; I33-L37 PolarHBondContact O-N 3.31Å; I33-V91 HydrophobicContact CD1-CB 4.46Å; I33-V91 HydrophobicContact CD1-CG1 3.64Å; I33-V91 HydrophobicContact CD1-CG2 3.91Å; I33-F124 HydrophobicContact CD1-CB 4.33Å; I33-F124 HydrophobicContact CD1-CD2 3.93Å; I33-F124 HydrophobicContact CD1-CG 4.4Å; I33-F124 HydrophobicContact CG2-CE2 4.27Å; I33-A160 HydrophobicContact CD1-CB 4.41Å; I33-A160 HydrophobicContact CG1-CB 3.48Å; I33-A160 VanDerWaalsContact CG1-CB 3.48Å; I33-L166 HydrophobicContact CD1-CD2 4.29Å; I33-L166 HydrophobicContact CG1-CD2 3.95Å; I33-L166 HydrophobicContact CG2-CD1 4.46Å; I33-L166 HydrophobicContact CG2-CD2 4.04Å
34	L	90.4	Very high	86.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.3	-51.7	-178.9	-175.7	55.6	0	0	0	111.9	K30 T31 T32 L37 K38 E54 V56 V65 D67	K30-L34 PolarHBondContact O-N 2.7Å; T31-L34 PolarHBondContact O-N 3.25Å; T32-L34 VanDerWaalsContact C-N 3.33Å; T32-L34 PolarHBondContact O-N 3.41Å; L34-L37 PolarHBondContact O-N 3.38Å; L34-K38 VanDerWaalsContact O-CB 3.23Å; L34-K38 WeakPolarHBondContact O-CB 3.36Å; L34-K38 PolarHBondContact O-N 2.97Å; L34-E54 HydrophobicContact CD1-CB 3.87Å; L34-E54 HydrophobicContact CD2-CB 3.88Å; L34-E54 HydrophobicContact CD2-CG 3.78Å; L34-E54 HydrophobicContact CG-CB 4.02Å; L34-E54 HydrophobicContact CG-CG 4.15Å; L34-V56 HydrophobicContact CD1-CG2 3.6Å; L34-V65 HydrophobicContact CD1-CB 3.68Å; L34-V65 HydrophobicContact CD1-CG1 3.81Å; L34-V65 HydrophobicContact CD1-CG2 4.03Å; L34-V65 HydrophobicContact CD2-CG1 4.48Å; L34-D67 HydrophobicContact CD2-CB 3.86Å
35	Y	88.6	Confident	85.3	Confident	59 Å²	59	48.5 Å²	48.5	23%	0.231	28%	0.275	C	S	.	.	H	α-helix	trans	-67.9	-35.7	178.4	-77.9	-66	0	0	0	112.5	T31 I33 L37 K38 L39 V43	T31-Y35 HydrophobicContact CG2-CD2 3.71Å; T31-Y35 HydrophobicContact CG2-CE2 3.55Å; T31-Y35 VanDerWaalsContact O-CD2 3.24Å; T31-Y35 WeakPolarHBondContact O-CD2 3.18Å; T31-Y35 PolarHBondContact O-N 2.97Å; I33-Y35 PolarHBondContact O-N 3.44Å; Y35-L37 VanDerWaalsContact C-N 3.32Å; Y35-L37 PolarHBondContact O-N 2.77Å; Y35-K38 PolarHBondContact O-N 2.53Å; Y35-L39 HydrophobicContact CD1-CD1 3.6Å; Y35-L39 HydrophobicContact CD1-CG 4.2Å; Y35-L39 HydrophobicContact CE1-CD1 4.27Å; Y35-L39 WeakPolarHBondContact O-CB 3.33Å; Y35-L39 PolarHBondContact O-N 2.81Å; Y35-V43 HydrophobicContact CD1-CG2 4.23Å; Y35-V43 HydrophobicContact CD2-CB 4.43Å; Y35-V43 HydrophobicContact CG-CB 4.23Å; Y35-V43 HydrophobicContact CG-CG2 4.11Å
36	K	90.8	Very high	84	Confident	37 Å²	37	55 Å²	55	16%	0.161	31%	0.308	C	S	.	.	H	α-helix	trans	-60.9	-43.1	174.9	-170.3	70.4	178.1	-177.4	0	111.4	T32 I33 G40 A160 T161 L166	T32-K36 WeakPolarHBondContact O-CB 3.43Å; T32-K36 PolarHBondContact O-N 3.4Å; I33-K36 PolarHBondContact O-N 3.44Å; K36-G40 PolarHBondContact NZ-O 3.04Å; K36-G40 WeakPolarHBondContact O-CA 3.44Å; K36-G40 PolarHBondContact O-N 3.47Å; K36-A160 WeakPolarHBondContact CG-O 3.26Å; K36-T161 WeakPolarHBondContact CE-O 3.4Å; K36-T161 PolarHBondContact NZ-O 3.45Å; K36-T161 VanDerWaalsContact NZ-O 3.12Å; K36-L166 HydrophobicContact CB-CD1 4.04Å; K36-L166 HydrophobicContact CG-CD1 3.79Å
37	L	86.9	Confident	83.2	Confident	23 Å²	23	57.4 Å²	57.4	12%	0.12	33%	0.327	C	S	.	.	H	α-helix	trans	-71.1	-36.8	177.1	-69.6	171.2	0	0	0	112.8	I33 L34 Y35 V56 L166 Y167 L170	I33-L37 HydrophobicContact CG2-CD1 3.73Å; I33-L37 HydrophobicContact CG2-CG 4.31Å; I33-L37 WeakPolarHBondContact O-CB 3.33Å; I33-L37 VanDerWaalsContact O-CG 3.27Å; I33-L37 WeakPolarHBondContact O-CG 3.49Å; I33-L37 PolarHBondContact O-N 3.31Å; L34-L37 PolarHBondContact O-N 3.38Å; Y35-L37 VanDerWaalsContact C-N 3.32Å; Y35-L37 PolarHBondContact O-N 2.77Å; L37-V56 HydrophobicContact CB-CG1 3.83Å; L37-V56 HydrophobicContact CB-CG2 4.36Å; L37-L166 HydrophobicContact CD2-CB 4.09Å; L37-L166 HydrophobicContact CD2-CD1 4.35Å; L37-L166 HydrophobicContact CG-CD1 4.39Å; L37-Y167 HydrophobicContact CD2-CE1 4.28Å; L37-L170 HydrophobicContact CD1-CD1 3.78Å; L37-L170 HydrophobicContact CD2-CD1 3.43Å; L37-L170 VanDerWaalsContact CD2-CD1 3.43Å; L37-L170 HydrophobicContact CG-CD1 4.22Å
38	K	83.4	Confident	82.3	Confident	93 Å²	93	55.8 Å²	55.8	40%	0.404	31%	0.31	S	S	.	.	H	α-helix	trans	-78.4	-42.7	-175.9	-178	59.6	172.9	179.8	0	113.2	L34 Y35 T55 V56	L34-K38 VanDerWaalsContact O-CB 3.23Å; L34-K38 WeakPolarHBondContact O-CB 3.36Å; L34-K38 PolarHBondContact O-N 2.97Å; Y35-K38 PolarHBondContact O-N 2.53Å; K38-T55 WeakPolarHBondContact CD-O 3.47Å; K38-T55 PolarHBondContact NZ-O 3.32Å; K38-V56 HydrophobicContact CB-CG2 4.31Å
39	L	83	Confident	81.1	Confident	95 Å²	95	63.3 Å²	63.3	50%	0.497	35%	0.349	S	S	.	.	H	α-helix	trans	-112.6	-16.1	-169.7	-56.1	179.5	0	0	0	113	Y35 E41 V43	Y35-L39 HydrophobicContact CD1-CD1 3.6Å; Y35-L39 HydrophobicContact CD1-CG 4.2Å; Y35-L39 HydrophobicContact CE1-CD1 4.27Å; Y35-L39 WeakPolarHBondContact O-CB 3.33Å; Y35-L39 PolarHBondContact O-N 2.81Å; L39-E41 PolarHBondContact O-N 2.85Å; L39-V43 HydrophobicContact CD1-CG2 3.91Å
40	G	78.1	Confident	80.2	Confident	42 Å²	42	63.8 Å²	63.8	43%	0.433	35%	0.353	S	S	.	.	S	Bend	trans	76.5	-10.3	-171.4	0	0	0	0	0	114.2	K36	K36-G40 PolarHBondContact NZ-O 3.04Å; K36-G40 WeakPolarHBondContact O-CA 3.44Å; K36-G40 PolarHBondContact O-N 3.47Å
41	E	69	Low	79.2	Confident	136 Å²	136	68.3 Å²	68.3	64%	0.636	37%	0.373	S	S	*	.	S	Bend	trans	-109.9	160.6	-173.4	-63.6	-175.5	165.1	0	0	112.4	L39	L39-E41 PolarHBondContact O-N 2.85Å
42	I	66.7	Low	78.4	Confident	101 Å²	101	69.1 Å²	69.1	52%	0.518	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-88.6	117.1	172.2	-52.5	170.5	0	0	0	107.5	T161	I42-T161 WeakPolarHBondContact CD1-O 3.21Å; I42-T161 WeakPolarHBondContact CG1-O 3.04Å; I42-T161 HydrophobicContact CG2-CG2 4.47Å
43	V	70.6	Confident	77.7	Confident	54 Å²	54	70.5 Å²	70.5	33%	0.327	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-98.4	131.3	170.3	-177.8	0	0	0	0	108	Y35 L39 T45	Y35-V43 HydrophobicContact CD1-CG2 4.23Å; Y35-V43 HydrophobicContact CD2-CB 4.43Å; Y35-V43 HydrophobicContact CG-CB 4.23Å; Y35-V43 HydrophobicContact CG-CG2 4.11Å; L39-V43 HydrophobicContact CD1-CG2 3.91Å; V43-T45 WeakPolarHBondContact O-CG2 3.36Å; V43-T45 PolarHBondContact O-N 2.94Å
44	T	70.3	Confident	77.1	Confident	143 Å²	143	72.9 Å²	72.9	88%	0.877	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-63	121	170.9	-53.3	0	0	0	0	108.9
45	T	72.9	Confident	76.5	Confident	56 Å²	56	75.7 Å²	75.7	34%	0.344	41%	0.413	S	S	.	.			trans	-106	138.8	-176.1	58.5	0	0	0	0	111.4	T31 V43	T31-T45 HydrophobicContact CG2-CG2 3.63Å; V43-T45 WeakPolarHBondContact O-CG2 3.36Å; V43-T45 PolarHBondContact O-N 2.94Å
46	I	68.3	Low	76	Confident	142 Å²	142	73 Å²	73	73%	0.728	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-92.6	160.5	160.5	57.8	170.4	0	0	0	109.5	T48	I46-T48 PolarHBondContact O-N 3.21Å
47	P	75.4	Confident	75.4	Confident	94 Å²	94	75.3 Å²	75.3	61%	0.61	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-54	125.1	173.9	-26.3	35.2	0	0	0	112.1	I49	P47-I49 PolarHBondContact O-N 3.07Å
48	T	74	Confident	74.9	Confident	30 Å²	30	75.8 Å²	75.8	18%	0.184	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-65	119.8	179.6	-51.3	0	0	0	0	110.9	T31 I46	T31-T48 PolarHBondContact OG1-OG1 3.38Å; T31-T48 VanDerWaalsContact OG1-OG1 3.08Å; I46-T48 PolarHBondContact O-N 3.21Å
49	I	71.1	Confident	74.5	Confident	160 Å²	160	77 Å²	77	82%	0.821	42%	0.423	S	S	*	.	S	Bend	trans	-92.3	109.4	172.5	-57.1	177	0	0	0	107.5	P47	P47-I49 PolarHBondContact O-N 3.07Å
50	G	75.6	Confident	73.9	Confident	21 Å²	21	77.1 Å²	77.1	22%	0.216	42%	0.424	C	S	.	.	S	Bend	trans	90.9	-114.2	-176.6	0	0	0	0	0	112.4	G69	G50-G69 PolarHBondContact O-N 3.49Å
51	F	72.4	Confident	73.5	Confident	106 Å²	106	75.1 Å²	75.1	47%	0.465	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	152.6	-178.3	69	-82.1	0	0	0	111.5	V53 W66 D67 V68 Y81	F51-V53 HydrophobicContact CD2-CG2 3.42Å; F51-V53 VanDerWaalsContact CD2-CG2 3.42Å; F51-V53 HydrophobicContact CE2-CG2 3.47Å; F51-V53 VanDerWaalsContact CE2-CG2 3.47Å; F51-W66 AromaticContact CD2-CE3 3.97Å; F51-W66 HydrophobicContact CD2-CE3 3.97Å; F51-W66 HydrophobicContact CD2-CZ3 4.06Å; F51-W66 HydrophobicContact CE2-CE3 4.19Å; F51-W66 AromaticContact CE2-CZ3 3.79Å; F51-W66 HydrophobicContact CE2-CZ3 3.79Å; F51-D67 CarbonylContact C-O 3.53Å; F51-D67 VanDerWaalsContact CA-O 3.32Å; F51-D67 WeakPolarHBondContact CA-O 3.4Å; F51-V68 HydrophobicContact CB-CG1 4.34Å; F51-V68 HydrophobicContact CB-CG2 4.31Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.29Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.47Å; F51-Y81 WeakPolarHBondContact CG-OH 3.17Å
52	N	73.2	Confident	73.7	Confident	39 Å²	39	69.3 Å²	69.3	21%	0.209	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	143.4	166.4	-168.2	31.4	0	0	0	109.4	W66 D67	N52-W66 CarbonylContact O-C 3.52Å; N52-D67 HydrophobicContact CB-CB 4.33Å; N52-D67 PolarHBondContact N-O 3.47Å; N52-D67 PolarHBondContact O-N 3.18Å
53	V	76.9	Confident	74	Confident	50 Å²	50	64.7 Å²	64.7	30%	0.303	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	116.3	177.2	-166.9	0	0	0	0	109.1	F51 T64 V65 W66	F51-V53 HydrophobicContact CD2-CG2 3.42Å; F51-V53 VanDerWaalsContact CD2-CG2 3.42Å; F51-V53 HydrophobicContact CE2-CG2 3.47Å; F51-V53 VanDerWaalsContact CE2-CG2 3.47Å; V53-T64 HydrophobicContact CG1-CG2 3.61Å; V53-V65 WeakPolarHBondContact CA-O 3.33Å; V53-W66 HydrophobicContact CB-CE3 4.37Å; V53-W66 HydrophobicContact CG1-CD2 4.03Å; V53-W66 HydrophobicContact CG1-CE3 4.27Å; V53-W66 HydrophobicContact CG1-CH2 4.36Å; V53-W66 HydrophobicContact CG1-CZ2 4.09Å; V53-W66 HydrophobicContact CG1-CZ3 4.44Å; V53-W66 HydrophobicContact CG2-CD2 3.79Å; V53-W66 HydrophobicContact CG2-CE3 3.22Å; V53-W66 HydrophobicContact CG2-CH2 3.94Å; V53-W66 HydrophobicContact CG2-CZ2 4.4Å; V53-W66 HydrophobicContact CG2-CZ3 3.31Å
54	E	81.3	Confident	74.2	Confident	50 Å²	50	64 Å²	64	23%	0.234	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.1	178.4	-67.7	-69.7	174.5	0	0	109.6	L34 V65	L34-E54 HydrophobicContact CD1-CB 3.87Å; L34-E54 HydrophobicContact CD2-CB 3.88Å; L34-E54 HydrophobicContact CD2-CG 3.78Å; L34-E54 HydrophobicContact CG-CB 4.02Å; L34-E54 HydrophobicContact CG-CG 4.15Å; E54-V65 PolarHBondContact N-O 2.97Å; E54-V65 VanDerWaalsContact N-O 3.08Å; E54-V65 PolarHBondContact O-N 2.87Å
55	T	77.5	Confident	74.2	Confident	58 Å²	58	57.3 Å²	57.3	36%	0.356	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	114.5	169.4	-60.8	0	0	0	0	109.2	K38 F63	K38-T55 WeakPolarHBondContact CD-O 3.47Å; K38-T55 PolarHBondContact NZ-O 3.32Å; T55-F63 CarbonylContact C-O 3.58Å; T55-F63 VanDerWaalsContact CA-O 3.31Å; T55-F63 WeakPolarHBondContact CA-O 3.46Å
56	V	79	Confident	74.1	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.024	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.7	174	178.5	0	0	0	0	108.2	L34 L37 K38 F63 V65	L34-V56 HydrophobicContact CD1-CG2 3.6Å; L37-V56 HydrophobicContact CB-CG1 3.83Å; L37-V56 HydrophobicContact CB-CG2 4.36Å; K38-V56 HydrophobicContact CB-CG2 4.31Å; V56-F63 HydrophobicContact CB-CB 4.44Å; V56-F63 PolarHBondContact N-O 3.42Å; V56-F63 WeakPolarHBondContact O-CB 3.42Å; V56-F63 PolarHBondContact O-N 3.21Å; V56-V65 HydrophobicContact CG2-CG2 4.33Å
57	D	77.6	Confident	74.3	Confident	85 Å²	85	49.8 Å²	49.8	46%	0.455	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	124.3	173.1	-77.9	-21.7	0	0	0	109.9	K15 S62	K15-D57 IonicContact NZ-OD1 3.7Å; K15-D57 IonicContact NZ-OD2 2.69Å; K15-D57 PolarHBondContact NZ-OD2 2.75Å; D57-S62 VanDerWaalsContact OD1-CB 3.3Å; D57-S62 WeakPolarHBondContact OD1-CB 3.44Å; D57-S62 PolarHBondContact OD1-OG 2.69Å
58	Y	77	Confident	74.2	Confident	33 Å²	33	45.3 Å²	45.3	13%	0.129	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	120	176.1	-172.4	-110.9	0	0	0	111.2	N60 I61 F63 Y167 L170 D171	Y58-N60 PolarHBondContact O-N 3.41Å; Y58-I61 PolarHBondContact N-O 3.06Å; Y58-I61 PolarHBondContact O-N 2.8Å; Y58-F63 HydrophobicContact CD1-CE2 4.07Å; Y58-F63 HydrophobicContact CG-CE2 4.21Å; Y58-Y167 HydrophobicContact CD2-CD1 4.18Å; Y58-Y167 HydrophobicContact CD2-CE1 4.29Å; Y58-Y167 AromaticContact CE2-CD1 3.4Å; Y58-Y167 HydrophobicContact CE2-CD1 3.4Å; Y58-Y167 AromaticContact CE2-CE1 3.83Å; Y58-Y167 HydrophobicContact CE2-CE1 3.83Å; Y58-Y167 AromaticContact CZ-CD1 3.92Å; Y58-L170 HydrophobicContact CD1-CB 3.99Å; Y58-L170 HydrophobicContact CD1-CD1 4.41Å; Y58-L170 HydrophobicContact CE1-CB 3.85Å; Y58-L170 HydrophobicContact CG-CD1 4.28Å; Y58-D171 WeakPolarHBondContact CE1-OD1 3.2Å; Y58-D171 PolarHBondContact OH-OD1 3.41Å
59	K	75.3	Confident	74.4	Confident	119 Å²	119	44 Å²	44	52%	0.517	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	-121.7	-172.1	-63.1	178.5	172	173.7	0	110.5	D171	K59-D171 WeakPolarHBondContact CE-OD1 3.36Å; K59-D171 IonicContact NZ-OD1 2.61Å; K59-D171 PolarHBondContact NZ-OD1 3.23Å; K59-D171 IonicContact NZ-OD2 2.92Å; K59-D171 PolarHBondContact NZ-OD2 2.97Å
60	N	69.6	Low	74.8	Confident	96 Å²	96	36.5 Å²	36.5	51%	0.513	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	13.1	178.8	63.6	-39.4	0	0	0	113.3	K15 R16 Y58	K15-N60 CarbonylContact C-O 3.58Å; K15-N60 WeakPolarHBondContact CA-O 3.06Å; R16-N60 PolarHBondContact N-O 2.78Å; Y58-N60 PolarHBondContact O-N 3.41Å
61	I	70.5	Confident	75.2	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.9	-179.8	-54.6	-174.7	0	0	0	110.4	R16 V18 Y58 F63 S174	R16-I61 WeakPolarHBondContact O-CA 3.01Å; V18-I61 HydrophobicContact CB-CG2 3.76Å; V18-I61 HydrophobicContact CG2-CG2 3.64Å; Y58-I61 PolarHBondContact N-O 3.06Å; Y58-I61 PolarHBondContact O-N 2.8Å; I61-F63 HydrophobicContact CB-CE1 4.14Å; I61-F63 HydrophobicContact CB-CZ 4.15Å; I61-F63 HydrophobicContact CD1-CE1 4.35Å; I61-F63 HydrophobicContact CD1-CZ 4.39Å; I61-F63 HydrophobicContact CG2-CD1 3.5Å; I61-F63 VanDerWaalsContact CG2-CD1 3.5Å; I61-F63 HydrophobicContact CG2-CE1 3.39Å; I61-F63 HydrophobicContact CG2-CE2 4.46Å; I61-F63 HydrophobicContact CG2-CG 4.16Å; I61-F63 HydrophobicContact CG2-CZ 3.9Å; I61-S174 WeakPolarHBondContact CD1-OG 3.46Å
62	S	73.1	Confident	75.8	Confident	14 Å²	14	39.1 Å²	39.1	10%	0.098	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	109.5	167.5	-65.6	0	0	0	0	108.3	K15 R16 V18 D57	K15-S62 WeakPolarHBondContact CD-OG 3.42Å; R16-S62 PolarHBondContact O-N 2.97Å; R16-S62 VanDerWaalsContact O-N 3.07Å; V18-S62 PolarHBondContact N-O 3.03Å; V18-S62 VanDerWaalsContact O-O 3.07Å; D57-S62 VanDerWaalsContact OD1-CB 3.3Å; D57-S62 WeakPolarHBondContact OD1-CB 3.44Å; D57-S62 PolarHBondContact OD1-OG 2.69Å
63	F	72.8	Confident	76.5	Confident	3 Å²	3	46.8 Å²	46.8	1%	0.013	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	109.7	178.8	-59.3	-60.4	0	0	0	109.7	I20 T55 V56 Y58 I61 V65 L170 L177	I20-F63 HydrophobicContact CB-CD1 4.43Å; I20-F63 HydrophobicContact CD1-CD1 4.03Å; I20-F63 HydrophobicContact CD1-CE1 4.2Å; I20-F63 HydrophobicContact CG1-CB 4.11Å; I20-F63 HydrophobicContact CG1-CD1 3.26Å; I20-F63 HydrophobicContact CG1-CE1 3.9Å; I20-F63 HydrophobicContact CG1-CG 4.03Å; T55-F63 CarbonylContact C-O 3.58Å; T55-F63 VanDerWaalsContact CA-O 3.31Å; T55-F63 WeakPolarHBondContact CA-O 3.46Å; V56-F63 HydrophobicContact CB-CB 4.44Å; V56-F63 PolarHBondContact N-O 3.42Å; V56-F63 WeakPolarHBondContact O-CB 3.42Å; V56-F63 PolarHBondContact O-N 3.21Å; Y58-F63 HydrophobicContact CD1-CE2 4.07Å; Y58-F63 HydrophobicContact CG-CE2 4.21Å; I61-F63 HydrophobicContact CB-CE1 4.14Å; I61-F63 HydrophobicContact CB-CZ 4.15Å; I61-F63 HydrophobicContact CD1-CE1 4.35Å; I61-F63 HydrophobicContact CD1-CZ 4.39Å; I61-F63 HydrophobicContact CG2-CD1 3.5Å; I61-F63 VanDerWaalsContact CG2-CD1 3.5Å; I61-F63 HydrophobicContact CG2-CE1 3.39Å; I61-F63 HydrophobicContact CG2-CE2 4.46Å; I61-F63 HydrophobicContact CG2-CG 4.16Å; I61-F63 HydrophobicContact CG2-CZ 3.9Å; F63-V65 HydrophobicContact CB-CG2 4.08Å; F63-V65 PolarHBondContact O-N 2.78Å; F63-L170 HydrophobicContact CE2-CD1 4.39Å; F63-L170 HydrophobicContact CE2-CD2 4.03Å; F63-L170 HydrophobicContact CZ-CD2 4.36Å; F63-L177 HydrophobicContact CE1-CD1 4.27Å
64	T	74.4	Confident	76.9	Confident	39 Å²	39	45.9 Å²	45.9	24%	0.239	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	103.5	165.7	-55	0	0	0	0	108.1	V18 I20 V53	V18-T64 PolarHBondContact O-N 3.34Å; I20-T64 PolarHBondContact N-O 3.4Å; V53-T64 HydrophobicContact CG1-CG2 3.61Å
65	V	71	Confident	77.3	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.024	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.2	-176.3	-178.3	0	0	0	0	109.8	I20 M22 L34 V53 E54 V56 F63	I20-V65 WeakPolarHBondContact O-CA 3.37Å; M22-V65 HydrophobicContact CB-CG1 3.42Å; M22-V65 VanDerWaalsContact CB-CG1 3.42Å; M22-V65 HydrophobicContact CE-CG1 3.87Å; M22-V65 HydrophobicContact CG-CG1 4.36Å; M22-V65 HydrophobicContact SD-CG1 4.16Å; L34-V65 HydrophobicContact CD1-CB 3.68Å; L34-V65 HydrophobicContact CD1-CG1 3.81Å; L34-V65 HydrophobicContact CD1-CG2 4.03Å; L34-V65 HydrophobicContact CD2-CG1 4.48Å; V53-V65 WeakPolarHBondContact CA-O 3.33Å; E54-V65 PolarHBondContact N-O 2.97Å; E54-V65 VanDerWaalsContact N-O 3.08Å; E54-V65 PolarHBondContact O-N 2.87Å; V56-V65 HydrophobicContact CG2-CG2 4.33Å; F63-V65 HydrophobicContact CB-CG2 4.08Å; F63-V65 PolarHBondContact O-N 2.78Å
66	W	71.1	Confident	77.9	Confident	40 Å²	40	44.2 Å²	44.2	15%	0.152	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	96.6	171.3	-59.8	76.6	0	0	0	108	R19 L21 M22 F51 N52 V53 V68 Y81	R19-W66 VanDerWaalsContact NH1-CE2 3.29Å; R19-W66 VanDerWaalsContact NH2-CZ2 3.33Å; L21-W66 HydrophobicContact CD1-CB 3.82Å; M22-W66 PolarHBondContact N-O 3.11Å; F51-W66 AromaticContact CD2-CE3 3.97Å; F51-W66 HydrophobicContact CD2-CE3 3.97Å; F51-W66 HydrophobicContact CD2-CZ3 4.06Å; F51-W66 HydrophobicContact CE2-CE3 4.19Å; F51-W66 AromaticContact CE2-CZ3 3.79Å; F51-W66 HydrophobicContact CE2-CZ3 3.79Å; N52-W66 CarbonylContact O-C 3.52Å; V53-W66 HydrophobicContact CB-CE3 4.37Å; V53-W66 HydrophobicContact CG1-CD2 4.03Å; V53-W66 HydrophobicContact CG1-CE3 4.27Å; V53-W66 HydrophobicContact CG1-CH2 4.36Å; V53-W66 HydrophobicContact CG1-CZ2 4.09Å; V53-W66 HydrophobicContact CG1-CZ3 4.44Å; V53-W66 HydrophobicContact CG2-CD2 3.79Å; V53-W66 HydrophobicContact CG2-CE3 3.22Å; V53-W66 HydrophobicContact CG2-CH2 3.94Å; V53-W66 HydrophobicContact CG2-CZ2 4.4Å; V53-W66 HydrophobicContact CG2-CZ3 3.31Å; W66-V68 HydrophobicContact CB-CG2 4.37Å; W66-V68 PolarHBondContact O-N 3.23Å; W66-Y81 HydrophobicContact CB-CG 4.47Å; W66-Y81 AromaticContact CD2-CD1 3.54Å; W66-Y81 HydrophobicContact CD2-CD1 3.54Å; W66-Y81 AromaticContact CD2-CE1 3.95Å; W66-Y81 HydrophobicContact CD2-CE1 3.95Å; W66-Y81 HydrophobicContact CD2-CG 4.29Å; W66-Y81 AromaticContact CE3-CD1 3.13Å; W66-Y81 HydrophobicContact CE3-CD1 3.13Å; W66-Y81 AromaticContact CE3-CE1 3.03Å; W66-Y81 HydrophobicContact CE3-CE1 3.03Å; W66-Y81 HydrophobicContact CE3-CG 4.11Å; W66-Y81 AromaticContact CE3-CZ 3.93Å; W66-Y81 HydrophobicContact CG-CD1 4.15Å; W66-Y81 HydrophobicContact CG-CG 4.45Å; W66-Y81 HydrophobicContact CH2-CD1 4.28Å; W66-Y81 HydrophobicContact CH2-CE1 4.16Å; W66-Y81 AromaticContact CZ3-CD1 3.55Å; W66-Y81 HydrophobicContact CZ3-CD1 3.55Å; W66-Y81 AromaticContact CZ3-CE1 3.17Å; W66-Y81 HydrophobicContact CZ3-CE1 3.17Å
67	D	71	Confident	78.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	95.9	172.6	173.3	27	0	0	0	108.5	K30 T31 L34 F51 N52	K30-D67 WeakPolarHBondContact CB-OD1 3.31Å; K30-D67 WeakPolarHBondContact CE-OD1 3.42Å; T31-D67 VanDerWaalsContact CA-OD2 3.24Å; T31-D67 WeakPolarHBondContact CA-OD2 3.25Å; T31-D67 VanDerWaalsContact CB-OD2 3.26Å; T31-D67 WeakPolarHBondContact CB-OD2 3.07Å; T31-D67 PolarHBondContact N-OD2 3.08Å; T31-D67 PolarHBondContact OG1-OD2 2.98Å; L34-D67 HydrophobicContact CD2-CB 3.86Å; F51-D67 CarbonylContact C-O 3.53Å; F51-D67 VanDerWaalsContact CA-O 3.32Å; F51-D67 WeakPolarHBondContact CA-O 3.4Å; N52-D67 HydrophobicContact CB-CB 4.33Å; N52-D67 PolarHBondContact N-O 3.47Å; N52-D67 PolarHBondContact O-N 3.18Å
68	V	73.7	Confident	78.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	135.1	-179.1	-165.1	0	0	0	0	109	L21 K30 F51 W66 G70 W78 Y81	L21-V68 HydrophobicContact CD1-CG2 4.37Å; K30-V68 WeakPolarHBondContact CE-O 3.49Å; F51-V68 HydrophobicContact CB-CG1 4.34Å; F51-V68 HydrophobicContact CB-CG2 4.31Å; W66-V68 HydrophobicContact CB-CG2 4.37Å; W66-V68 PolarHBondContact O-N 3.23Å; V68-G70 PolarHBondContact O-N 2.79Å; V68-W78 VanDerWaalsContact CG1-CD1 3.41Å; V68-Y81 HydrophobicContact CG1-CE2 4.3Å; V68-Y81 HydrophobicContact CG2-CD2 3.66Å; V68-Y81 HydrophobicContact CG2-CE2 3.72Å; V68-Y81 HydrophobicContact CG2-CG 4.48Å
69	G	78.1	Confident	79.4	Confident	3 Å²	3	48.3 Å²	48.3	3%	0.031	23%	0.232	C	C	.	.			trans	-55.7	144.4	177.3	0	0	0	0	0	111.1	G50 I74 W78	G50-G69 PolarHBondContact O-N 3.49Å; G69-I74 WeakPolarHBondContact O-CD1 3.31Å; G69-I74 WeakPolarHBondContact O-CG1 3.3Å; G69-W78 PolarHBondContact O-NE1 3.26Å
70	G	79.6	Confident	80	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.01	24%	0.235	C	C	.	.			trans	-102.9	8.6	-171.7	0	0	0	0	0	114.6	G24 D26 V68 R75	G24-G70 WeakPolarHBondContact O-CA 3.42Å; D26-G70 PolarHBondContact N-O 3.42Å; V68-G70 PolarHBondContact O-N 2.79Å; G70-R75 PolarHBondContact O-NE 3.23Å; G70-R75 PolarHBondContact O-NH2 2.82Å
71	Q	84.4	Confident	80.9	Confident	83 Å²	83	45.3 Å²	45.3	39%	0.388	22%	0.215	S	C	.	.	S	Bend	trans	-69.5	143.2	178	-58	175.3	5.4	0	0	109.8	D26 K73 I74 R75	D26-Q71 HydrophobicContact CB-CG 4.06Å; Q71-K73 PolarHBondContact O-N 3.43Å; Q71-I74 HydrophobicContact CB-CD1 4.23Å; Q71-I74 HydrophobicContact CB-CG1 4.01Å; Q71-I74 WeakPolarHBondContact O-CG1 3.44Å; Q71-I74 PolarHBondContact O-N 3.3Å; Q71-R75 WeakPolarHBondContact O-CG 3.36Å; Q71-R75 PolarHBondContact O-N 3.29Å
72	D	85.5	Confident	82	Confident	100 Å²	100	45.6 Å²	45.6	54%	0.535	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-43.3	-171.9	-52.1	-0.7	0	0	0	113	I74 R75 P76	D72-I74 PolarHBondContact O-N 2.98Å; D72-R75 IonicContact OD1-CZ 2.96Å; D72-R75 IonicContact OD1-NE 2.69Å; D72-R75 IonicContact OD1-NH1 2.77Å; D72-R75 PolarHBondContact OD1-NH1 3.38Å; D72-R75 IonicContact OD1-NH2 3.15Å; D72-R75 PolarHBondContact OD1-NH2 3.05Å; D72-P76 WeakPolarHBondContact O-CD 3.47Å
73	K	88.2	Confident	82.8	Confident	200 Å²	200	51 Å²	51	87%	0.87	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.4	-177.3	-66.1	-176.8	179.5	178.3	0	114.3	Q71	Q71-K73 PolarHBondContact O-N 3.43Å
74	I	85.1	Confident	83.7	Confident	31 Å²	31	57.2 Å²	57.2	16%	0.159	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-11.8	-176.2	61.7	173.7	0	0	0	113.6	G69 Q71 D72 L77	G69-I74 WeakPolarHBondContact O-CD1 3.31Å; G69-I74 WeakPolarHBondContact O-CG1 3.3Å; Q71-I74 HydrophobicContact CB-CD1 4.23Å; Q71-I74 HydrophobicContact CB-CG1 4.01Å; Q71-I74 WeakPolarHBondContact O-CG1 3.44Å; Q71-I74 PolarHBondContact O-N 3.3Å; D72-I74 PolarHBondContact O-N 2.98Å; I74-L77 HydrophobicContact CB-CD1 4.25Å; I74-L77 VanDerWaalsContact O-CB 3.25Å; I74-L77 WeakPolarHBondContact O-CB 3.32Å; I74-L77 WeakPolarHBondContact O-CG 3.44Å; I74-L77 PolarHBondContact O-N 3.49Å
75	R	88.7	Confident	84.5	Confident	16 Å²	16	55.7 Å²	55.7	6%	0.06	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-52.1	-35.5	172.8	-60.5	-178.8	-167.6	154.1	2.2	113.9	G70 Q71 D72 L77 W78 E102	G70-R75 PolarHBondContact O-NE 3.23Å; G70-R75 PolarHBondContact O-NH2 2.82Å; Q71-R75 WeakPolarHBondContact O-CG 3.36Å; Q71-R75 PolarHBondContact O-N 3.29Å; D72-R75 IonicContact OD1-CZ 2.96Å; D72-R75 IonicContact OD1-NE 2.69Å; D72-R75 IonicContact OD1-NH1 2.77Å; D72-R75 PolarHBondContact OD1-NH1 3.38Å; D72-R75 IonicContact OD1-NH2 3.15Å; D72-R75 PolarHBondContact OD1-NH2 3.05Å; R75-L77 PolarHBondContact O-N 3.04Å; R75-W78 HydrophobicContact CB-CD2 4.3Å; R75-W78 HydrophobicContact CB-CZ2 4.24Å; R75-W78 HydrophobicContact CG-CH2 4.07Å; R75-W78 HydrophobicContact CG-CZ2 3.72Å; R75-W78 VanDerWaalsContact O-CB 3.3Å; R75-W78 WeakPolarHBondContact O-CB 3.21Å; R75-W78 PolarHBondContact O-N 3.14Å; R75-E102 IonicContact CZ-OE1 2.71Å; R75-E102 IonicContact NH1-OE1 3.78Å; R75-E102 PolarHBondContact NH1-OE1 3.21Å; R75-E102 IonicContact NH2-OE1 3.37Å; R75-E102 PolarHBondContact NH2-OE1 3.12Å; R75-E102 IonicContact NH2-OE2 3.05Å
76	P	89.7	Confident	85.6	Confident	57 Å²	57	58.8 Å²	58.8	37%	0.37	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-55.2	-22.7	173.1	-30.5	38.6	0	0	0	114.8	D72 W78 R79	D72-P76 WeakPolarHBondContact O-CD 3.47Å; P76-W78 VanDerWaalsContact C-N 3.28Å; P76-W78 PolarHBondContact O-N 3.45Å; P76-R79 WeakPolarHBondContact O-CG 3.28Å; P76-R79 PolarHBondContact O-NE 3.06Å; P76-R79 VanDerWaalsContact O-NE 3.16Å; P76-R79 PolarHBondContact O-NH1 3.32Å
77	L	86.5	Confident	86.7	Confident	67 Å²	67	56.9 Å²	56.9	35%	0.351	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-74.1	-17	178.4	-59.4	176.7	0	0	0	113.1	I74 R75 R79 H80 Y81	I74-L77 HydrophobicContact CB-CD1 4.25Å; I74-L77 VanDerWaalsContact O-CB 3.25Å; I74-L77 WeakPolarHBondContact O-CB 3.32Å; I74-L77 WeakPolarHBondContact O-CG 3.44Å; I74-L77 PolarHBondContact O-N 3.49Å; R75-L77 PolarHBondContact O-N 3.04Å; L77-R79 PolarHBondContact O-N 2.85Å; L77-R79 VanDerWaalsContact O-N 3.16Å; L77-H80 WeakPolarHBondContact O-CB 3.27Å; L77-H80 PolarHBondContact O-CD2 2.58Å; L77-H80 PolarHBondContact O-N 3.21Å; L77-H80 VanDerWaalsContact O-N 3.09Å; L77-Y81 WeakPolarHBondContact O-CD2 3.48Å; L77-Y81 WeakPolarHBondContact O-CE2 3.28Å
78	W	90.3	Very high	87.8	Confident	4 Å²	4	57 Å²	57	2%	0.015	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-54.8	-37.2	-179.4	-65.1	-1.8	0	0	0	111.9	V23 G24 V68 G69 R75 P76 H80 Y81 F82 E106 M110	V23-W78 HydrophobicContact CB-CD2 4.38Å; V23-W78 HydrophobicContact CB-CZ2 4.44Å; V23-W78 HydrophobicContact CG1-CD2 4.05Å; V23-W78 HydrophobicContact CG1-CG 4.13Å; G24-W78 WeakPolarHBondContact O-CZ2 3.44Å; V68-W78 VanDerWaalsContact CG1-CD1 3.41Å; G69-W78 PolarHBondContact O-NE1 3.26Å; R75-W78 HydrophobicContact CB-CD2 4.3Å; R75-W78 HydrophobicContact CB-CZ2 4.24Å; R75-W78 HydrophobicContact CG-CH2 4.07Å; R75-W78 HydrophobicContact CG-CZ2 3.72Å; R75-W78 VanDerWaalsContact O-CB 3.3Å; R75-W78 WeakPolarHBondContact O-CB 3.21Å; R75-W78 PolarHBondContact O-N 3.14Å; P76-W78 VanDerWaalsContact C-N 3.28Å; P76-W78 PolarHBondContact O-N 3.45Å; W78-H80 PolarHBondContact O-N 3.04Å; W78-H80 VanDerWaalsContact O-N 3.14Å; W78-Y81 PolarHBondContact O-N 3.47Å; W78-F82 VanDerWaalsContact C-CE1 3.41Å; W78-F82 HydrophobicContact CB-CE1 3.89Å; W78-F82 HydrophobicContact CB-CZ 4.05Å; W78-F82 VanDerWaalsContact O-CD1 3.25Å; W78-F82 WeakPolarHBondContact O-CD1 3.27Å; W78-F82 WeakPolarHBondContact O-CE1 3.27Å; W78-E106 HydrophobicContact CH2-CB 4.33Å; W78-E106 HydrophobicContact CZ3-CB 4.03Å; W78-M110 HydrophobicContact CD2-SD 4.34Å; W78-M110 HydrophobicContact CE3-CE 4.43Å; W78-M110 HydrophobicContact CE3-CG 3.94Å; W78-M110 HydrophobicContact CE3-SD 3.3Å; W78-M110 HydrophobicContact CZ3-CG 4.24Å; W78-M110 HydrophobicContact CZ3-SD 3.5Å; W78-M110 WeakPolarHBondContact CZ3-SD 3.49Å
79	R	89.6	Confident	88.9	Confident	137 Å²	137	57.1 Å²	57.1	52%	0.517	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-58.2	-28.2	-179.4	75.1	-174.5	65.6	118.9	-6.2	114.2	P76 L77 Y81 F82	P76-R79 WeakPolarHBondContact O-CG 3.28Å; P76-R79 PolarHBondContact O-NE 3.06Å; P76-R79 VanDerWaalsContact O-NE 3.16Å; P76-R79 PolarHBondContact O-NH1 3.32Å; L77-R79 PolarHBondContact O-N 2.85Å; L77-R79 VanDerWaalsContact O-N 3.16Å; R79-Y81 PolarHBondContact O-N 3.37Å; R79-Y81 VanDerWaalsContact O-N 3.13Å; R79-F82 VanDerWaalsContact CA-CE2 3.46Å; R79-F82 HydrophobicContact CB-CD2 4.09Å; R79-F82 HydrophobicContact CB-CE2 3.77Å; R79-F82 HydrophobicContact CB-CZ 4.26Å; R79-F82 PolarHBondContact O-N 3.43Å
80	H	88.2	Confident	89.8	Confident	125 Å²	125	57 Å²	57	58%	0.579	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-67	-13.5	177.9	-61.4	-53.1	0	0	0	113.2	L77 W78	L77-H80 WeakPolarHBondContact O-CB 3.27Å; L77-H80 PolarHBondContact O-CD2 2.58Å; L77-H80 PolarHBondContact O-N 3.21Å; L77-H80 VanDerWaalsContact O-N 3.09Å; W78-H80 PolarHBondContact O-N 3.04Å; W78-H80 VanDerWaalsContact O-N 3.14Å
81	Y	88.2	Confident	90.7	Very high	27 Å²	27	56.9 Å²	56.9	11%	0.106	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-109.4	-1.8	-177	-53.3	-69.2	0	0	0	113.8	F51 W66 V68 L77 W78 R79 T85	F51-Y81 WeakPolarHBondContact CD1-OH 3.29Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.47Å; F51-Y81 WeakPolarHBondContact CG-OH 3.17Å; W66-Y81 HydrophobicContact CB-CG 4.47Å; W66-Y81 AromaticContact CD2-CD1 3.54Å; W66-Y81 HydrophobicContact CD2-CD1 3.54Å; W66-Y81 AromaticContact CD2-CE1 3.95Å; W66-Y81 HydrophobicContact CD2-CE1 3.95Å; W66-Y81 HydrophobicContact CD2-CG 4.29Å; W66-Y81 AromaticContact CE3-CD1 3.13Å; W66-Y81 HydrophobicContact CE3-CD1 3.13Å; W66-Y81 AromaticContact CE3-CE1 3.03Å; W66-Y81 HydrophobicContact CE3-CE1 3.03Å; W66-Y81 HydrophobicContact CE3-CG 4.11Å; W66-Y81 AromaticContact CE3-CZ 3.93Å; W66-Y81 HydrophobicContact CG-CD1 4.15Å; W66-Y81 HydrophobicContact CG-CG 4.45Å; W66-Y81 HydrophobicContact CH2-CD1 4.28Å; W66-Y81 HydrophobicContact CH2-CE1 4.16Å; W66-Y81 AromaticContact CZ3-CD1 3.55Å; W66-Y81 HydrophobicContact CZ3-CD1 3.55Å; W66-Y81 AromaticContact CZ3-CE1 3.17Å; W66-Y81 HydrophobicContact CZ3-CE1 3.17Å; V68-Y81 HydrophobicContact CG1-CE2 4.3Å; V68-Y81 HydrophobicContact CG2-CD2 3.66Å; V68-Y81 HydrophobicContact CG2-CE2 3.72Å; V68-Y81 HydrophobicContact CG2-CG 4.48Å; L77-Y81 WeakPolarHBondContact O-CD2 3.48Å; L77-Y81 WeakPolarHBondContact O-CE2 3.28Å; W78-Y81 PolarHBondContact O-N 3.47Å; R79-Y81 PolarHBondContact O-N 3.37Å; R79-Y81 VanDerWaalsContact O-N 3.13Å; Y81-T85 PolarHBondContact O-OG1 2.96Å
82	F	92.6	Very high	91.4	Very high	6 Å²	6	53 Å²	53	3%	0.026	25%	0.252	C	S	.	.			trans	-68.2	-37.2	-176.1	-64.1	-10.5	0	0	0	112.6	L21 W78 R79 N84 T85 M110 E113 E115 L116	L21-F82 HydrophobicContact CD2-CD1 3.49Å; L21-F82 VanDerWaalsContact CD2-CD1 3.49Å; L21-F82 HydrophobicContact CD2-CE1 3.66Å; W78-F82 VanDerWaalsContact C-CE1 3.41Å; W78-F82 HydrophobicContact CB-CE1 3.89Å; W78-F82 HydrophobicContact CB-CZ 4.05Å; W78-F82 VanDerWaalsContact O-CD1 3.25Å; W78-F82 WeakPolarHBondContact O-CD1 3.27Å; W78-F82 WeakPolarHBondContact O-CE1 3.27Å; R79-F82 VanDerWaalsContact CA-CE2 3.46Å; R79-F82 HydrophobicContact CB-CD2 4.09Å; R79-F82 HydrophobicContact CB-CE2 3.77Å; R79-F82 HydrophobicContact CB-CZ 4.26Å; R79-F82 PolarHBondContact O-N 3.43Å; F82-N84 PolarHBondContact O-N 3.24Å; F82-T85 WeakPolarHBondContact O-CB 3.17Å; F82-T85 PolarHBondContact O-N 3.08Å; F82-T85 PolarHBondContact O-OG1 3.42Å; F82-T85 VanDerWaalsContact O-OG1 3.11Å; F82-M110 HydrophobicContact CD1-CE 4.47Å; F82-M110 HydrophobicContact CE1-CE 3.54Å; F82-M110 HydrophobicContact CZ-CE 3.96Å; F82-M110 HydrophobicContact CZ-CG 4.1Å; F82-E113 HydrophobicContact CD2-CB 3.89Å; F82-E113 HydrophobicContact CD2-CG 4Å; F82-E113 HydrophobicContact CE2-CB 3.96Å; F82-E113 HydrophobicContact CE2-CG 3.56Å; F82-E115 HydrophobicContact CB-CB 3.75Å; F82-L116 HydrophobicContact CB-CD2 3.92Å; F82-L116 HydrophobicContact CB-CG 3.96Å; F82-L116 HydrophobicContact CD1-CD1 3.71Å; F82-L116 HydrophobicContact CD1-CD2 4.16Å; F82-L116 HydrophobicContact CD1-CG 4.07Å; F82-L116 HydrophobicContact CD2-CD1 4.14Å; F82-L116 HydrophobicContact CD2-CG 4.2Å; F82-L116 HydrophobicContact CE1-CD1 3.87Å; F82-L116 HydrophobicContact CE2-CD1 4.3Å; F82-L116 HydrophobicContact CG-CD1 3.87Å; F82-L116 HydrophobicContact CG-CD2 4.11Å; F82-L116 HydrophobicContact CG-CG 3.81Å; F82-L116 HydrophobicContact CZ-CD1 4.16Å
83	Q	90.8	Very high	92	Very high	129 Å²	129	49.2 Å²	49.2	60%	0.603	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	131.7	-179.9	-69.4	-174.7	-14.5	0	0	112	R19 T85 E115	R19-Q83 VanDerWaalsContact CD-O 3.31Å; R19-Q83 WeakPolarHBondContact CD-O 3.34Å; Q83-T85 PolarHBondContact O-N 3.13Å; Q83-E115 HydrophobicContact CG-CG 4.24Å
84	N	90.4	Very high	92.5	Very high	132 Å²	132	39.7 Å²	39.7	71%	0.706	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	11.3	-178	-52.9	-53.7	0	0	0	115.2	R19 F82 Q86	R19-N84 WeakPolarHBondContact CB-O 3.13Å; F82-N84 PolarHBondContact O-N 3.24Å; N84-Q86 PolarHBondContact O-N 2.65Å
85	T	92.5	Very high	93.1	Very high	8 Å²	8	40.5 Å²	40.5	5%	0.049	20%	0.195	C	C	.	.			trans	-71	117.9	176.4	-67.9	0	0	0	0	110.3	L21 Y81 F82 Q83 G87 L116 A119	L21-T85 HydrophobicContact CB-CG2 3.7Å; Y81-T85 PolarHBondContact O-OG1 2.96Å; F82-T85 WeakPolarHBondContact O-CB 3.17Å; F82-T85 PolarHBondContact O-N 3.08Å; F82-T85 PolarHBondContact O-OG1 3.42Å; F82-T85 VanDerWaalsContact O-OG1 3.11Å; Q83-T85 PolarHBondContact O-N 3.13Å; T85-G87 WeakPolarHBondContact CG2-O 3.31Å; T85-L116 HydrophobicContact CG2-CD2 3.87Å; T85-A119 HydrophobicContact CG2-CB 4.48Å
86	Q	93.1	Very high	93.6	Very high	69 Å²	69	41.2 Å²	41.2	32%	0.322	20%	0.2	S	C	.	.			trans	-95.1	-28.4	-178.9	-66.9	163.7	-79.2	0	0	111.9	V18 R19 N84 A119 V120 L177	V18-Q86 VanDerWaalsContact CA-OE1 3.32Å; V18-Q86 HydrophobicContact CG1-CB 3.77Å; R19-Q86 PolarHBondContact O-N 3.07Å; N84-Q86 PolarHBondContact O-N 2.65Å; Q86-A119 WeakPolarHBondContact O-CA 3.32Å; Q86-V120 PolarHBondContact O-N 3.33Å; Q86-L177 HydrophobicContact CB-CD2 4.03Å; Q86-L177 VanDerWaalsContact O-CD2 3.31Å; Q86-L177 WeakPolarHBondContact O-CD2 3.46Å
87	G	94	Very high	94	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145.6	173.7	0	0	0	0	0	111.7	R19 I20 L21 T85 V120	R19-G87 PolarHBondContact O-N 2.92Å; I20-G87 VanDerWaalsContact CA-O 3.27Å; I20-G87 WeakPolarHBondContact CA-O 3.44Å; I20-G87 VanDerWaalsContact CD1-CA 3.44Å; L21-G87 PolarHBondContact N-O 3.26Å; T85-G87 WeakPolarHBondContact CG2-O 3.31Å; G87-V120 CarbonylContact C-O 3.59Å; G87-V120 WeakPolarHBondContact CA-O 3.25Å
88	L	95.5	Very high	94.5	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.3	-179	176.8	63.7	0	0	0	108.1	L21 V23 M110 L111 L116 A119 V120 L121 L122	L21-L88 HydrophobicContact CB-CD1 4.02Å; L21-L88 HydrophobicContact CD2-CD1 4.12Å; L21-L88 HydrophobicContact CG-CD1 4.04Å; V23-L88 HydrophobicContact CG2-CD1 3.49Å; V23-L88 VanDerWaalsContact CG2-CD1 3.49Å; L88-M110 HydrophobicContact CD1-CE 3.69Å; L88-M110 HydrophobicContact CD2-CE 4.19Å; L88-L111 HydrophobicContact CD2-CD2 3.82Å; L88-L116 HydrophobicContact CD2-CD1 4.43Å; L88-A119 HydrophobicContact CB-CB 4.41Å; L88-V120 PolarHBondContact N-O 3.48Å; L88-L121 HydrophobicContact CB-CD1 4.39Å; L88-L121 HydrophobicContact CD2-CD1 3.93Å; L88-L121 HydrophobicContact CG-CD1 4.03Å; L88-L121 CarbonylContact O-C 3.53Å; L88-L121 WeakPolarHBondContact O-CA 3.36Å; L88-L122 PolarHBondContact O-N 2.86Å
89	I	96.4	Very high	94.8	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.9	169.5	-59.7	178.6	0	0	0	108	I20 L21 M22 V23 V91 L122 F124 L170 L173	I20-I89 HydrophobicContact CG2-CB 4.47Å; I20-I89 HydrophobicContact CG2-CD1 3.7Å; I20-I89 HydrophobicContact CG2-CG1 3.7Å; L21-I89 PolarHBondContact O-N 3.24Å; M22-I89 WeakPolarHBondContact CA-O 3.49Å; M22-I89 HydrophobicContact CB-CB 4.32Å; M22-I89 HydrophobicContact CE-CB 4.45Å; M22-I89 HydrophobicContact CE-CD1 3.91Å; M22-I89 HydrophobicContact CE-CG2 4.18Å; M22-I89 HydrophobicContact CG-CB 4.18Å; M22-I89 HydrophobicContact CG-CG2 4.11Å; V23-I89 PolarHBondContact N-O 3.02Å; I89-V91 HydrophobicContact CG2-CG2 4.06Å; I89-L122 CarbonylContact C-O 3.56Å; I89-L122 VanDerWaalsContact CA-O 3.27Å; I89-L122 WeakPolarHBondContact CA-O 3.46Å; I89-L122 HydrophobicContact CD1-CD2 4.4Å; I89-L122 HydrophobicContact CG1-CB 4.33Å; I89-L122 HydrophobicContact CG1-CD2 4.22Å; I89-F124 HydrophobicContact CD1-CE2 4.36Å; I89-F124 HydrophobicContact CG2-CD2 3.4Å; I89-F124 VanDerWaalsContact CG2-CD2 3.4Å; I89-F124 HydrophobicContact CG2-CE2 3.72Å; I89-F124 HydrophobicContact CG2-CG 4.38Å; I89-L170 HydrophobicContact CD1-CD2 4.04Å; I89-L173 HydrophobicContact CD1-CD2 3.94Å; I89-L173 HydrophobicContact CG1-CD2 3.85Å
90	F	97.7	Very high	95.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	116.5	175.1	-163	-96	0	0	0	109.8	V23 V92 S103 L107 M110 L121 L122 V123 F124	V23-F90 HydrophobicContact CG2-CD2 3.85Å; V23-F90 HydrophobicContact CG2-CE2 4.46Å; V23-F90 CarbonylContact O-C 3.59Å; V23-F90 WeakPolarHBondContact O-CA 3.36Å; F90-V92 HydrophobicContact CD1-CG2 3.61Å; F90-V92 HydrophobicContact CE1-CG2 3.68Å; F90-S103 WeakPolarHBondContact CZ-O 3.24Å; F90-L107 HydrophobicContact CB-CD1 4.15Å; F90-L107 HydrophobicContact CD1-CB 4.37Å; F90-L107 HydrophobicContact CD1-CD1 4.28Å; F90-L107 HydrophobicContact CD1-CD2 4.31Å; F90-L107 HydrophobicContact CD2-CB 4.33Å; F90-L107 HydrophobicContact CD2-CD1 3.78Å; F90-L107 HydrophobicContact CE1-CB 3.97Å; F90-L107 HydrophobicContact CE2-CB 3.94Å; F90-L107 HydrophobicContact CE2-CD1 4.23Å; F90-L107 HydrophobicContact CG-CD1 3.81Å; F90-L107 HydrophobicContact CZ-CB 3.75Å; F90-M110 HydrophobicContact CE2-SD 4.36Å; F90-L121 HydrophobicContact CB-CD1 4.07Å; F90-L122 PolarHBondContact N-O 3.45Å; F90-V123 HydrophobicContact CB-CG2 4.47Å; F90-V123 CarbonylContact O-C 3.51Å; F90-V123 VanDerWaalsContact O-CA 3.28Å; F90-V123 WeakPolarHBondContact O-CA 3.42Å; F90-F124 PolarHBondContact O-N 3.37Å
91	V	98	Very high	95.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.3	-176.1	-170.6	0	0	0	0	109.6	M22 V23 G24 A28 K30 I33 I89 F124 N126	M22-V91 HydrophobicContact CG-CG2 3.91Å; M22-V91 HydrophobicContact SD-CG2 4.24Å; V23-V91 PolarHBondContact O-N 2.68Å; G24-V91 WeakPolarHBondContact CA-O 3.18Å; A28-V91 HydrophobicContact CB-CB 4.32Å; A28-V91 HydrophobicContact CB-CG1 4.09Å; A28-V91 WeakPolarHBondContact CB-O 3.27Å; A28-V91 WeakPolarHBondContact O-CG1 3.44Å; K30-V91 HydrophobicContact CG-CB 3.84Å; K30-V91 HydrophobicContact CG-CG1 4.46Å; K30-V91 HydrophobicContact CG-CG2 3.83Å; I33-V91 HydrophobicContact CD1-CB 4.46Å; I33-V91 HydrophobicContact CD1-CG1 3.64Å; I33-V91 HydrophobicContact CD1-CG2 3.91Å; I89-V91 HydrophobicContact CG2-CG2 4.06Å; V91-F124 HydrophobicContact CG1-CB 4.4Å; V91-F124 HydrophobicContact CG2-CB 4.44Å; V91-F124 HydrophobicContact CG2-CD2 4.43Å; V91-N126 HydrophobicContact CG1-CB 3.92Å
92	V	98.4	Very high	96.1	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.6	179.9	-175.2	0	0	0	0	109.5	F90 S94 V123 F124 N126 L139 L143	F90-V92 HydrophobicContact CD1-CG2 3.61Å; F90-V92 HydrophobicContact CE1-CG2 3.68Å; V92-S94 PolarHBondContact O-N 2.91Å; V92-V123 HydrophobicContact CG2-CG1 4.17Å; V92-F124 PolarHBondContact N-O 2.89Å; V92-N126 WeakPolarHBondContact O-CB 3.31Å; V92-N126 PolarHBondContact O-N 2.86Å; V92-L139 HydrophobicContact CG1-CD1 4.31Å; V92-L139 HydrophobicContact CG1-CD2 3.92Å; V92-L143 HydrophobicContact CG2-CD1 4.01Å; V92-L143 HydrophobicContact CG2-CD2 4.48Å
93	D	98.2	Very high	96.3	Very high	20 Å²	20	45.5 Å²	45.5	11%	0.107	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	106.6	165.9	-173.2	-19.2	0	0	0	108.7	N95 D96 K127	D93-N95 PolarHBondContact O-N 3.06Å; D93-N95 WeakPolarHBondContact OD1-CA 3.42Å; D93-N95 WeakPolarHBondContact OD1-CB 3.35Å; D93-N95 PolarHBondContact OD1-N 3Å; D93-D96 HydrophobicContact CB-CB 3.76Å; D93-D96 PolarHBondContact O-N 3.19Å; D93-D96 PolarHBondContact OD1-N 3.32Å; D93-K127 WeakPolarHBondContact OD1-CD 3.5Å; D93-K127 VanDerWaalsContact OD2-CE 3.26Å; D93-K127 WeakPolarHBondContact OD2-CE 3.21Å; D93-K127 IonicContact OD2-NZ 2.87Å; D93-K127 PolarHBondContact OD2-NZ 3.16Å
94	S	98.8	Very high	96.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.2	-178	-51.8	0	0	0	0	112.5	V92 A125 N126 Q128 A133 M134 L139	V92-S94 PolarHBondContact O-N 2.91Å; S94-A125 PolarHBondContact OG-O 3.31Å; S94-N126 WeakPolarHBondContact CB-O 3.47Å; S94-N126 PolarHBondContact N-O 2.8Å; S94-N126 PolarHBondContact OG-N 2.71Å; S94-N126 PolarHBondContact OG-O 3.32Å; S94-Q128 PolarHBondContact OG-NE2 3.12Å; S94-A133 CarbonylContact O-C 3.58Å; S94-A133 WeakPolarHBondContact O-CA 3.44Å; S94-M134 WeakPolarHBondContact CB-O 3.35Å; S94-M134 WeakPolarHBondContact O-CE 3.14Å; S94-M134 PolarHBondContact O-N 3.23Å; S94-L139 WeakPolarHBondContact OG-CD1 3.34Å
95	N	98.3	Very high	97	Very high	49 Å²	49	40.9 Å²	40.9	26%	0.262	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-11.6	-179.3	-164.8	78.1	0	0	0	112.4	D93 R97 L130 K132 A133	D93-N95 PolarHBondContact O-N 3.06Å; D93-N95 WeakPolarHBondContact OD1-CA 3.42Å; D93-N95 WeakPolarHBondContact OD1-CB 3.35Å; D93-N95 PolarHBondContact OD1-N 3Å; N95-R97 PolarHBondContact O-N 2.78Å; N95-L130 HydrophobicContact CB-CB 3.84Å; N95-L130 HydrophobicContact CB-CD1 3.58Å; N95-L130 HydrophobicContact CB-CG 4.35Å; N95-L130 WeakPolarHBondContact OD1-CB 3.4Å; N95-K132 WeakPolarHBondContact OD1-CA 3.4Å; N95-K132 WeakPolarHBondContact OD1-CB 3.09Å; N95-K132 PolarHBondContact OD1-N 2.83Å; N95-K132 VanDerWaalsContact OD1-N 3.1Å; N95-A133 PolarHBondContact OD1-N 3.13Å
96	D	97.9	Very high	97.1	Very high	31 Å²	31	41.8 Å²	41.8	17%	0.166	19%	0.189	C	C	.	.			trans	-88.9	76.6	177.3	-163.3	-25.4	0	0	0	111.4	D93 E98 R99 V100	D93-D96 HydrophobicContact CB-CB 3.76Å; D93-D96 PolarHBondContact O-N 3.19Å; D93-D96 PolarHBondContact OD1-N 3.32Å; D96-E98 PolarHBondContact O-N 3.01Å; D96-E98 PolarHBondContact OD1-N 3.11Å; D96-R99 PolarHBondContact OD1-N 2.89Å; D96-R99 IonicContact OD1-NE 2.64Å; D96-R99 IonicContact OD2-CZ 3.16Å; D96-R99 IonicContact OD2-NE 2.75Å; D96-R99 PolarHBondContact OD2-NE 3.49Å; D96-R99 IonicContact OD2-NH2 3.13Å; D96-R99 PolarHBondContact OD2-NH2 2.82Å; D96-V100 PolarHBondContact O-N 3.09Å
97	R	97.9	Very high	97.3	Very high	108 Å²	108	38.5 Å²	38.5	41%	0.408	17%	0.174	S	C	.	.			trans	-67.9	-20.7	179.6	-69.4	176.6	171	-87.8	-8.2	113.1	N95 V100 K132 M134 E138	N95-R97 PolarHBondContact O-N 2.78Å; R97-V100 WeakPolarHBondContact O-CG1 3.23Å; R97-K132 PolarHBondContact NE-O 2.92Å; R97-K132 PolarHBondContact NH2-O 3.35Å; R97-M134 HydrophobicContact CG-CE 4.02Å; R97-M134 HydrophobicContact CG-CG 3.89Å; R97-M134 HydrophobicContact CG-SD 3.91Å; R97-M134 VanDerWaalsContact CZ-CG 3.45Å; R97-E138 IonicContact CZ-OE1 3.87Å; R97-E138 IonicContact CZ-OE2 3.14Å; R97-E138 IonicContact NH1-OE1 2.72Å; R97-E138 PolarHBondContact NH1-OE1 2.97Å; R97-E138 IonicContact NH1-OE2 2.76Å; R97-E138 PolarHBondContact NH1-OE2 2.89Å; R97-E138 IonicContact NH2-OE1 3.92Å; R97-E138 IonicContact NH2-OE2 2.72Å; R97-E138 PolarHBondContact NH2-OE2 3.31Å
98	E	97.7	Very high	97.4	Very high	185 Å²	185	40.2 Å²	40.2	86%	0.864	18%	0.182	S	C	*	.	S	Bend	trans	-78	-39	-177.5	-65.8	179.2	-175.4	0	0	111.5	D96	D96-E98 PolarHBondContact O-N 3.01Å; D96-E98 PolarHBondContact OD1-N 3.11Å
99	R	97.3	Very high	97.4	Very high	66 Å²	66	45 Å²	45	25%	0.249	20%	0.203	C	C	.	.	S	Bend	trans	-100.3	13.1	-178.1	-61.1	-171.9	-67	165	3	114.7	L25 D26 D96 E101 E102 S103	L25-R99 HydrophobicContact CD1-CB 3.83Å; L25-R99 WeakPolarHBondContact CD1-O 3.29Å; D26-R99 VanDerWaalsContact CG-NH1 3.33Å; D26-R99 IonicContact OD1-NH1 3.48Å; D26-R99 PolarHBondContact OD1-NH1 3.2Å; D26-R99 VanDerWaalsContact OD1-NH1 3.16Å; D26-R99 IonicContact OD2-CZ 3.56Å; D26-R99 IonicContact OD2-NH1 3.6Å; D26-R99 PolarHBondContact OD2-NH1 3.32Å; D26-R99 IonicContact OD2-NH2 3.62Å; D96-R99 PolarHBondContact OD1-N 2.89Å; D96-R99 IonicContact OD1-NE 2.64Å; D96-R99 IonicContact OD2-CZ 3.16Å; D96-R99 IonicContact OD2-NE 2.75Å; D96-R99 PolarHBondContact OD2-NE 3.49Å; D96-R99 IonicContact OD2-NH2 3.13Å; D96-R99 PolarHBondContact OD2-NH2 2.82Å; R99-E101 VanDerWaalsContact C-N 3.32Å; R99-E101 PolarHBondContact O-N 3.41Å; R99-E102 HydrophobicContact CB-CB 4.49Å; R99-E102 WeakPolarHBondContact CD-OE2 3.4Å; R99-E102 WeakPolarHBondContact CG-OE2 3.31Å; R99-E102 PolarHBondContact O-N 3.25Å; R99-S103 PolarHBondContact O-N 3.31Å; R99-S103 PolarHBondContact O-OG 2.98Å
100	V	97.8	Very high	97.3	Very high	9 Å²	9	45.1 Å²	45.1	6%	0.055	20%	0.203	C	C	.	.	H	α-helix	trans	-66.2	-34	177.9	70.7	0	0	0	0	112.5	D96 R97 S103 R104 M134 L139 K142	D96-V100 PolarHBondContact O-N 3.09Å; R97-V100 WeakPolarHBondContact O-CG1 3.23Å; V100-S103 WeakPolarHBondContact O-CB 3.19Å; V100-S103 PolarHBondContact O-N 3.02Å; V100-R104 PolarHBondContact O-N 3.02Å; V100-M134 HydrophobicContact CB-CE 3.97Å; V100-M134 HydrophobicContact CB-SD 4.29Å; V100-M134 HydrophobicContact CG1-SD 4.42Å; V100-M134 HydrophobicContact CG2-CE 3.9Å; V100-M134 HydrophobicContact CG2-SD 4.04Å; V100-L139 HydrophobicContact CG2-CD2 3.76Å; V100-K142 HydrophobicContact CG1-CD 3.97Å; V100-K142 HydrophobicContact CG2-CB 3.95Å; V100-K142 HydrophobicContact CG2-CD 3.98Å
101	E	97.6	Very high	97.2	Very high	89 Å²	89	46 Å²	46	42%	0.416	21%	0.208	S	C	.	.	H	α-helix	trans	-68.6	-44.8	174.7	-104.7	-55.4	169.4	0	0	112	R99 S103 R104 E105	R99-E101 VanDerWaalsContact C-N 3.32Å; R99-E101 PolarHBondContact O-N 3.41Å; E101-S103 PolarHBondContact O-N 3.43Å; E101-R104 WeakPolarHBondContact O-CA 3.24Å; E101-R104 WeakPolarHBondContact O-CB 3.42Å; E101-R104 PolarHBondContact O-N 3.34Å; E101-R104 IonicContact OE1-CZ 3.81Å; E101-R104 IonicContact OE1-NE 2.88Å; E101-R104 PolarHBondContact OE1-NE 2.8Å; E101-R104 IonicContact OE1-NH2 3.84Å; E101-R104 PolarHBondContact OE1-NH2 3.19Å; E101-R104 IonicContact OE2-CZ 3.59Å; E101-R104 IonicContact OE2-NE 3.6Å; E101-R104 PolarHBondContact OE2-NE 2.99Å; E101-R104 IonicContact OE2-NH2 3.46Å; E101-R104 PolarHBondContact OE2-NH2 3.5Å; E101-E105 PolarHBondContact O-N 3.29Å
102	E	97.2	Very high	97.1	Very high	49 Å²	49	53 Å²	53	23%	0.229	24%	0.241	C	C	.	.	H	α-helix	trans	-56.1	-40.8	172.6	-179.5	-179.1	-161	0	0	111.4	L25 R75 R99 R104 E105 E106	L25-E102 HydrophobicContact CD1-CB 4.19Å; L25-E102 HydrophobicContact CD1-CG 3.99Å; L25-E102 HydrophobicContact CD2-CG 4.36Å; R75-E102 IonicContact CZ-OE1 2.71Å; R75-E102 IonicContact NH1-OE1 3.78Å; R75-E102 PolarHBondContact NH1-OE1 3.21Å; R75-E102 IonicContact NH2-OE1 3.37Å; R75-E102 PolarHBondContact NH2-OE1 3.12Å; R75-E102 IonicContact NH2-OE2 3.05Å; R99-E102 HydrophobicContact CB-CB 4.49Å; R99-E102 WeakPolarHBondContact CD-OE2 3.4Å; R99-E102 WeakPolarHBondContact CG-OE2 3.31Å; R99-E102 PolarHBondContact O-N 3.25Å; E102-R104 VanDerWaalsContact C-N 3.35Å; E102-R104 PolarHBondContact O-N 2.92Å; E102-E105 PolarHBondContact O-N 2.82Å; E102-E106 WeakPolarHBondContact O-CG 3.44Å; E102-E106 PolarHBondContact O-N 3.31Å
103	S	97.2	Very high	97	Very high	6 Å²	6	56.6 Å²	56.6	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-42.1	173.3	-57.9	0	0	0	0	112.3	L25 F90 R99 V100 E101 L107	L25-S103 WeakPolarHBondContact CD1-OG 3.49Å; L25-S103 WeakPolarHBondContact CG-OG 3.38Å; F90-S103 WeakPolarHBondContact CZ-O 3.24Å; R99-S103 PolarHBondContact O-N 3.31Å; R99-S103 PolarHBondContact O-OG 2.98Å; V100-S103 WeakPolarHBondContact O-CB 3.19Å; V100-S103 PolarHBondContact O-N 3.02Å; E101-S103 PolarHBondContact O-N 3.43Å; S103-L107 WeakPolarHBondContact O-CB 3.22Å; S103-L107 PolarHBondContact O-N 3.23Å
104	R	98.1	Very high	96.8	Very high	74 Å²	74	60.7 Å²	60.7	28%	0.279	28%	0.279	S	S	.	.	H	α-helix	trans	-61.9	-49.2	175.5	-178.2	-170.8	66.2	81.8	13.5	110.4	V100 E101 E102 E106 L107 Q108 K142 L143	V100-R104 PolarHBondContact O-N 3.02Å; E101-R104 WeakPolarHBondContact O-CA 3.24Å; E101-R104 WeakPolarHBondContact O-CB 3.42Å; E101-R104 PolarHBondContact O-N 3.34Å; E101-R104 IonicContact OE1-CZ 3.81Å; E101-R104 IonicContact OE1-NE 2.88Å; E101-R104 PolarHBondContact OE1-NE 2.8Å; E101-R104 IonicContact OE1-NH2 3.84Å; E101-R104 PolarHBondContact OE1-NH2 3.19Å; E101-R104 IonicContact OE2-CZ 3.59Å; E101-R104 IonicContact OE2-NE 3.6Å; E101-R104 PolarHBondContact OE2-NE 2.99Å; E101-R104 IonicContact OE2-NH2 3.46Å; E101-R104 PolarHBondContact OE2-NH2 3.5Å; E102-R104 VanDerWaalsContact C-N 3.35Å; E102-R104 PolarHBondContact O-N 2.92Å; R104-E106 VanDerWaalsContact C-N 3.35Å; R104-E106 PolarHBondContact O-N 2.82Å; R104-L107 PolarHBondContact O-N 2.81Å; R104-Q108 HydrophobicContact CG-CG 4.13Å; R104-Q108 WeakPolarHBondContact O-CB 3.49Å; R104-Q108 VanDerWaalsContact O-CG 3.23Å; R104-Q108 WeakPolarHBondContact O-CG 3.49Å; R104-Q108 PolarHBondContact O-N 2.77Å; R104-K142 VanDerWaalsContact CD-O 3.29Å; R104-K142 WeakPolarHBondContact CD-O 3.36Å; R104-L143 HydrophobicContact CB-CD2 4.2Å
105	E	96.9	Very high	96.7	Very high	91 Å²	91	65.2 Å²	65.2	43%	0.425	30%	0.3	S	S	.	.	H	α-helix	trans	-58.8	-46.5	-179	-70	-175.6	179.1	0	0	111.8	E101 E102 Q108 K109	E101-E105 PolarHBondContact O-N 3.29Å; E102-E105 PolarHBondContact O-N 2.82Å; E105-Q108 PolarHBondContact O-N 3.46Å; E105-K109 WeakPolarHBondContact O-CB 3.5Å; E105-K109 VanDerWaalsContact O-CG 3.22Å; E105-K109 WeakPolarHBondContact O-CG 3.3Å; E105-K109 PolarHBondContact O-N 2.95Å
106	E	95.8	Very high	96.6	Very high	26 Å²	26	62.9 Å²	62.9	12%	0.121	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-42.6	177.9	-69.2	-56.8	123.6	0	0	112	L25 W78 E102 R104 K109 M110	L25-E106 HydrophobicContact CD2-CB 4.48Å; L25-E106 HydrophobicContact CD2-CG 4.16Å; W78-E106 HydrophobicContact CH2-CB 4.33Å; W78-E106 HydrophobicContact CZ3-CB 4.03Å; E102-E106 WeakPolarHBondContact O-CG 3.44Å; E102-E106 PolarHBondContact O-N 3.31Å; R104-E106 VanDerWaalsContact C-N 3.35Å; R104-E106 PolarHBondContact O-N 2.82Å; E106-K109 PolarHBondContact O-N 2.98Å; E106-K109 IonicContact OE1-NZ 2.69Å; E106-K109 PolarHBondContact OE1-NZ 3.31Å; E106-M110 VanDerWaalsContact O-CG 3.3Å; E106-M110 WeakPolarHBondContact O-CG 3.49Å; E106-M110 PolarHBondContact O-N 2.9Å
107	L	97.2	Very high	96.4	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-48.8	173.7	177.6	60.5	0	0	0	111.2	F90 S103 R104 K109 M110 L111 L121 L143 L145	F90-L107 HydrophobicContact CB-CD1 4.15Å; F90-L107 HydrophobicContact CD1-CB 4.37Å; F90-L107 HydrophobicContact CD1-CD1 4.28Å; F90-L107 HydrophobicContact CD1-CD2 4.31Å; F90-L107 HydrophobicContact CD2-CB 4.33Å; F90-L107 HydrophobicContact CD2-CD1 3.78Å; F90-L107 HydrophobicContact CE1-CB 3.97Å; F90-L107 HydrophobicContact CE2-CB 3.94Å; F90-L107 HydrophobicContact CE2-CD1 4.23Å; F90-L107 HydrophobicContact CG-CD1 3.81Å; F90-L107 HydrophobicContact CZ-CB 3.75Å; S103-L107 WeakPolarHBondContact O-CB 3.22Å; S103-L107 PolarHBondContact O-N 3.23Å; R104-L107 PolarHBondContact O-N 2.81Å; L107-K109 PolarHBondContact O-N 3.29Å; L107-M110 WeakPolarHBondContact O-CB 3.09Å; L107-M110 PolarHBondContact O-N 3.46Å; L107-L111 HydrophobicContact CD1-CD1 3.84Å; L107-L111 HydrophobicContact CD1-CD2 4.24Å; L107-L111 HydrophobicContact CD1-CG 3.87Å; L107-L111 HydrophobicContact CG-CD1 3.9Å; L107-L111 HydrophobicContact CG-CG 4.27Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.36Å; L107-L111 PolarHBondContact O-N 3.02Å; L107-L121 HydrophobicContact CD1-CD1 4.13Å; L107-L121 HydrophobicContact CD1-CD2 4.34Å; L107-L143 HydrophobicContact CD2-CB 4.46Å; L107-L145 HydrophobicContact CD2-CD2 3.83Å
108	Q	96.3	Very high	96.2	Very high	37 Å²	37	68.9 Å²	68.9	17%	0.173	32%	0.317	C	S	.	.	H	α-helix	trans	-63.7	-41.5	-178.4	-68.3	-65.8	-21.9	0	0	111.9	R104 E105 M110 L111 Q112 L143	R104-Q108 HydrophobicContact CG-CG 4.13Å; R104-Q108 WeakPolarHBondContact O-CB 3.49Å; R104-Q108 VanDerWaalsContact O-CG 3.23Å; R104-Q108 WeakPolarHBondContact O-CG 3.49Å; R104-Q108 PolarHBondContact O-N 2.77Å; E105-Q108 PolarHBondContact O-N 3.46Å; Q108-M110 VanDerWaalsContact C-N 3.34Å; Q108-M110 PolarHBondContact O-N 3.4Å; Q108-L111 PolarHBondContact O-N 3.48Å; Q108-Q112 VanDerWaalsContact O-CG 3.31Å; Q108-Q112 WeakPolarHBondContact O-CG 3.45Å; Q108-Q112 PolarHBondContact O-N 2.87Å; Q108-L143 PolarHBondContact NE2-O 3Å
109	K	94.8	Very high	96.2	Very high	101 Å²	101	60.2 Å²	60.2	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-56.3	-48.5	172.7	-72.5	168.8	-162.3	166	0	110.8	E105 E106 L107 L111 Q112	E105-K109 WeakPolarHBondContact O-CB 3.5Å; E105-K109 VanDerWaalsContact O-CG 3.22Å; E105-K109 WeakPolarHBondContact O-CG 3.3Å; E105-K109 PolarHBondContact O-N 2.95Å; E106-K109 PolarHBondContact O-N 2.98Å; E106-K109 IonicContact OE1-NZ 2.69Å; E106-K109 PolarHBondContact OE1-NZ 3.31Å; L107-K109 PolarHBondContact O-N 3.29Å; K109-L111 PolarHBondContact O-N 2.8Å; K109-Q112 PolarHBondContact O-N 3.29Å
110	M	94.5	Very high	96.1	Very high	5 Å²	5	57 Å²	57	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-42	178.7	-71.3	-174.2	64.2	0	0	113.2	L21 V23 W78 F82 L88 F90 E106 L107 Q108 Q112 E113 L116	L21-M110 HydrophobicContact CD2-CE 4.01Å; V23-M110 HydrophobicContact CB-CE 4.37Å; V23-M110 HydrophobicContact CB-SD 4.29Å; V23-M110 HydrophobicContact CG1-CE 4.35Å; V23-M110 HydrophobicContact CG2-CE 3.6Å; V23-M110 HydrophobicContact CG2-SD 3.75Å; W78-M110 HydrophobicContact CD2-SD 4.34Å; W78-M110 HydrophobicContact CE3-CE 4.43Å; W78-M110 HydrophobicContact CE3-CG 3.94Å; W78-M110 HydrophobicContact CE3-SD 3.3Å; W78-M110 HydrophobicContact CZ3-CG 4.24Å; W78-M110 HydrophobicContact CZ3-SD 3.5Å; W78-M110 WeakPolarHBondContact CZ3-SD 3.49Å; F82-M110 HydrophobicContact CD1-CE 4.47Å; F82-M110 HydrophobicContact CE1-CE 3.54Å; F82-M110 HydrophobicContact CZ-CE 3.96Å; F82-M110 HydrophobicContact CZ-CG 4.1Å; L88-M110 HydrophobicContact CD1-CE 3.69Å; L88-M110 HydrophobicContact CD2-CE 4.19Å; F90-M110 HydrophobicContact CE2-SD 4.36Å; E106-M110 VanDerWaalsContact O-CG 3.3Å; E106-M110 WeakPolarHBondContact O-CG 3.49Å; E106-M110 PolarHBondContact O-N 2.9Å; L107-M110 WeakPolarHBondContact O-CB 3.09Å; L107-M110 PolarHBondContact O-N 3.46Å; Q108-M110 VanDerWaalsContact C-N 3.34Å; Q108-M110 PolarHBondContact O-N 3.4Å; M110-Q112 PolarHBondContact O-N 2.77Å; M110-E113 WeakPolarHBondContact O-CB 3.34Å; M110-E113 WeakPolarHBondContact O-CG 3.36Å; M110-E113 PolarHBondContact O-N 3.31Å; M110-E113 VanDerWaalsContact O-N 3.15Å; M110-L116 HydrophobicContact CB-CD1 4.29Å; M110-L116 HydrophobicContact CE-CD1 3.88Å; M110-L116 WeakPolarHBondContact O-CD1 3.37Å
111	L	95.6	Very high	96.1	Very high	18 Å²	18	56.6 Å²	56.6	9%	0.094	26%	0.262	C	S	.	.	H	α-helix	trans	-71.6	-12.3	-176.7	-65	-178.9	0	0	0	113.6	L88 L107 Q108 K109 L121 L148 R151	L88-L111 HydrophobicContact CD2-CD2 3.82Å; L107-L111 HydrophobicContact CD1-CD1 3.84Å; L107-L111 HydrophobicContact CD1-CD2 4.24Å; L107-L111 HydrophobicContact CD1-CG 3.87Å; L107-L111 HydrophobicContact CG-CD1 3.9Å; L107-L111 HydrophobicContact CG-CG 4.27Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.36Å; L107-L111 PolarHBondContact O-N 3.02Å; Q108-L111 PolarHBondContact O-N 3.48Å; K109-L111 PolarHBondContact O-N 2.8Å; L111-L121 HydrophobicContact CD1-CD2 4.01Å; L111-L121 HydrophobicContact CD2-CD2 4.37Å; L111-L148 HydrophobicContact CD1-CD1 3.72Å; L111-L148 HydrophobicContact CD1-CD2 3.57Å; L111-L148 HydrophobicContact CD1-CG 4.31Å; L111-R151 PolarHBondContact O-NH2 2.91Å
112	Q	94.9	Very high	96.2	Very high	149 Å²	149	52.4 Å²	52.4	70%	0.696	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-11.5	172.8	-71.1	171.9	12.4	0	0	113.3	Q108 K109 M110	Q108-Q112 VanDerWaalsContact O-CG 3.31Å; Q108-Q112 WeakPolarHBondContact O-CG 3.45Å; Q108-Q112 PolarHBondContact O-N 2.87Å; K109-Q112 PolarHBondContact O-N 3.29Å; M110-Q112 PolarHBondContact O-N 2.77Å
113	E	96.1	Very high	96.2	Very high	75 Å²	75	50 Å²	50	35%	0.35	23%	0.231	S	C	.	.			trans	-77.2	130.4	-177.3	-60.9	-82.7	-173.7	0	0	110.3	F82 M110 E115 L116 R117	F82-E113 HydrophobicContact CD2-CB 3.89Å; F82-E113 HydrophobicContact CD2-CG 4Å; F82-E113 HydrophobicContact CE2-CB 3.96Å; F82-E113 HydrophobicContact CE2-CG 3.56Å; M110-E113 WeakPolarHBondContact O-CB 3.34Å; M110-E113 WeakPolarHBondContact O-CG 3.36Å; M110-E113 PolarHBondContact O-N 3.31Å; M110-E113 VanDerWaalsContact O-N 3.15Å; E113-E115 VanDerWaalsContact C-N 3.29Å; E113-E115 PolarHBondContact O-N 2.93Å; E113-L116 PolarHBondContact O-N 3.46Å; E113-R117 PolarHBondContact O-N 3.21Å
114	D	95.5	Very high	96.3	Very high	107 Å²	107	49.8 Å²	49.8	57%	0.572	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-63.2	-36	-172.7	-85.9	-19.8	0	0	0	112.1	L116 R117	D114-L116 PolarHBondContact O-N 3.46Å; D114-R117 VanDerWaalsContact CG-NH2 3.29Å; D114-R117 WeakPolarHBondContact O-CB 3.41Å; D114-R117 PolarHBondContact O-N 3.04Å; D114-R117 IonicContact OD1-CZ 3.51Å; D114-R117 IonicContact OD1-NE 3.69Å; D114-R117 IonicContact OD1-NH2 3.56Å; D114-R117 PolarHBondContact OD1-NH2 3.36Å; D114-R117 IonicContact OD2-NH2 2.68Å
115	E	96.3	Very high	96.3	Very high	95 Å²	95	46.2 Å²	46.2	44%	0.444	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-62.1	-22.8	175.9	-64.3	94.1	146.4	0	0	113.1	F82 Q83 E113	F82-E115 HydrophobicContact CB-CB 3.75Å; Q83-E115 HydrophobicContact CG-CG 4.24Å; E113-E115 VanDerWaalsContact C-N 3.29Å; E113-E115 PolarHBondContact O-N 2.93Å
116	L	95.7	Very high	96.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-101.4	2.3	177.5	-64.2	-175.1	0	0	0	112.8	F82 T85 L88 M110 E113 D114 D118 A119 R151	F82-L116 HydrophobicContact CB-CD2 3.92Å; F82-L116 HydrophobicContact CB-CG 3.96Å; F82-L116 HydrophobicContact CD1-CD1 3.71Å; F82-L116 HydrophobicContact CD1-CD2 4.16Å; F82-L116 HydrophobicContact CD1-CG 4.07Å; F82-L116 HydrophobicContact CD2-CD1 4.14Å; F82-L116 HydrophobicContact CD2-CG 4.2Å; F82-L116 HydrophobicContact CE1-CD1 3.87Å; F82-L116 HydrophobicContact CE2-CD1 4.3Å; F82-L116 HydrophobicContact CG-CD1 3.87Å; F82-L116 HydrophobicContact CG-CD2 4.11Å; F82-L116 HydrophobicContact CG-CG 3.81Å; F82-L116 HydrophobicContact CZ-CD1 4.16Å; T85-L116 HydrophobicContact CG2-CD2 3.87Å; L88-L116 HydrophobicContact CD2-CD1 4.43Å; M110-L116 HydrophobicContact CB-CD1 4.29Å; M110-L116 HydrophobicContact CE-CD1 3.88Å; M110-L116 WeakPolarHBondContact O-CD1 3.37Å; E113-L116 PolarHBondContact O-N 3.46Å; D114-L116 PolarHBondContact O-N 3.46Å; L116-D118 PolarHBondContact O-N 2.86Å; L116-D118 VanDerWaalsContact O-N 3.11Å; L116-A119 HydrophobicContact CB-CB 4.47Å; L116-A119 HydrophobicContact CD2-CB 4.29Å; L116-A119 WeakPolarHBondContact O-CB 3.17Å; L116-A119 PolarHBondContact O-N 3.47Å; L116-R151 PolarHBondContact O-NH1 2.95Å; L116-R151 PolarHBondContact O-NH2 3.46Å
117	R	94.8	Very high	96.5	Very high	150 Å²	150	43.1 Å²	43.1	57%	0.566	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-43.6	-176.6	-175.5	-177.5	-64	170.6	-0.2	112.6	E113 D114 R151	E113-R117 PolarHBondContact O-N 3.21Å; D114-R117 VanDerWaalsContact CG-NH2 3.29Å; D114-R117 WeakPolarHBondContact O-CB 3.41Å; D114-R117 PolarHBondContact O-N 3.04Å; D114-R117 IonicContact OD1-CZ 3.51Å; D114-R117 IonicContact OD1-NE 3.69Å; D114-R117 IonicContact OD1-NH2 3.56Å; D114-R117 PolarHBondContact OD1-NH2 3.36Å; D114-R117 IonicContact OD2-NH2 2.68Å; R117-R151 PolarHBondContact O-NH1 3.28Å; R117-R151 PolarHBondContact O-NH2 3.18Å
118	D	93.8	Very high	96.6	Very high	115 Å²	115	45.9 Å²	45.9	62%	0.615	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-7.6	-177.9	-64.8	-41.6	0	0	0	113.7	L116 V120 R180	L116-D118 PolarHBondContact O-N 2.86Å; L116-D118 VanDerWaalsContact O-N 3.11Å; D118-V120 PolarHBondContact O-N 3.25Å; D118-R180 PolarHBondContact O-NH1 2.92Å; D118-R180 PolarHBondContact O-NH2 3.23Å
119	A	95.8	Very high	96.7	Very high	2 Å²	2	48 Å²	48	2%	0.017	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-62	135.3	-175.5	0	0	0	0	0	113	T85 Q86 L88 L116 R151	T85-A119 HydrophobicContact CG2-CB 4.48Å; Q86-A119 WeakPolarHBondContact O-CA 3.32Å; L88-A119 HydrophobicContact CB-CB 4.41Å; L116-A119 HydrophobicContact CB-CB 4.47Å; L116-A119 HydrophobicContact CD2-CB 4.29Å; L116-A119 WeakPolarHBondContact O-CB 3.17Å; L116-A119 PolarHBondContact O-N 3.47Å; A119-R151 PolarHBondContact O-NH1 3.15Å
120	V	96.6	Very high	96.8	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	129	171.4	-179.9	0	0	0	0	109.1	Q86 G87 L88 D118 Q152 W172 L173 Q176 L177	Q86-V120 PolarHBondContact O-N 3.33Å; G87-V120 CarbonylContact C-O 3.59Å; G87-V120 WeakPolarHBondContact CA-O 3.25Å; L88-V120 PolarHBondContact N-O 3.48Å; D118-V120 PolarHBondContact O-N 3.25Å; V120-Q152 HydrophobicContact CG1-CB 4.26Å; V120-W172 HydrophobicContact CG1-CH2 3.45Å; V120-W172 VanDerWaalsContact CG1-CH2 3.45Å; V120-W172 HydrophobicContact CG1-CZ2 4.48Å; V120-W172 HydrophobicContact CG1-CZ3 3.56Å; V120-L173 HydrophobicContact CB-CD1 4.03Å; V120-L173 HydrophobicContact CG1-CD1 3.77Å; V120-Q176 HydrophobicContact CG1-CB 3.86Å; V120-Q176 HydrophobicContact CG1-CG 4.24Å; V120-Q176 HydrophobicContact CG2-CB 4.23Å; V120-L177 HydrophobicContact CB-CD2 4.3Å; V120-L177 HydrophobicContact CG2-CD2 3.98Å
121	L	98.1	Very high	96.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.3	-177.5	174.6	63.7	0	0	0	111.7	L88 F90 L107 L111 V123 L148 Q152 W153 Y154 W172	L88-L121 HydrophobicContact CB-CD1 4.39Å; L88-L121 HydrophobicContact CD2-CD1 3.93Å; L88-L121 HydrophobicContact CG-CD1 4.03Å; L88-L121 CarbonylContact O-C 3.53Å; L88-L121 WeakPolarHBondContact O-CA 3.36Å; F90-L121 HydrophobicContact CB-CD1 4.07Å; L107-L121 HydrophobicContact CD1-CD1 4.13Å; L107-L121 HydrophobicContact CD1-CD2 4.34Å; L111-L121 HydrophobicContact CD1-CD2 4.01Å; L111-L121 HydrophobicContact CD2-CD2 4.37Å; L121-V123 HydrophobicContact CD1-CG2 4.12Å; L121-V123 HydrophobicContact CD2-CG2 4.18Å; L121-V123 HydrophobicContact CG-CG2 4.04Å; L121-L148 HydrophobicContact CD2-CD1 3.72Å; L121-Q152 PolarHBondContact N-O 3.1Å; L121-W153 HydrophobicContact CB-CB 3.99Å; L121-W153 HydrophobicContact CD2-CB 4.1Å; L121-W153 HydrophobicContact CG-CB 4.24Å; L121-W153 CarbonylContact O-C 3.54Å; L121-W153 WeakPolarHBondContact O-CA 3.39Å; L121-Y154 PolarHBondContact O-N 3.37Å; L121-W172 WeakPolarHBondContact O-CH2 3.01Å; L121-W172 WeakPolarHBondContact O-CZ3 3.49Å
122	L	98	Very high	97	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124	164.6	174.1	64.7	0	0	0	108.7	L88 I89 F90 F124 Y154 Q156 G169 W172 L173	L88-L122 PolarHBondContact O-N 2.86Å; I89-L122 CarbonylContact C-O 3.56Å; I89-L122 VanDerWaalsContact CA-O 3.27Å; I89-L122 WeakPolarHBondContact CA-O 3.46Å; I89-L122 HydrophobicContact CD1-CD2 4.4Å; I89-L122 HydrophobicContact CG1-CB 4.33Å; I89-L122 HydrophobicContact CG1-CD2 4.22Å; F90-L122 PolarHBondContact N-O 3.45Å; L122-F124 HydrophobicContact CD2-CD1 4.49Å; L122-F124 HydrophobicContact CD2-CE1 3.91Å; L122-F124 HydrophobicContact CD2-CE2 3.96Å; L122-F124 HydrophobicContact CD2-CZ 3.61Å; L122-F124 HydrophobicContact CG-CE1 4.4Å; L122-F124 HydrophobicContact CG-CZ 4.46Å; L122-Y154 CarbonylContact C-O 3.57Å; L122-Y154 WeakPolarHBondContact CA-O 3.29Å; L122-Y154 HydrophobicContact CD1-CD1 3.78Å; L122-Q156 HydrophobicContact CD1-CB 4.34Å; L122-G169 WeakPolarHBondContact CD2-O 3.26Å; L122-W172 HydrophobicContact CB-CZ3 4.26Å; L122-W172 HydrophobicContact CD1-CE3 4.21Å; L122-L173 HydrophobicContact CB-CD1 4.46Å; L122-L173 HydrophobicContact CB-CD2 4.39Å; L122-L173 HydrophobicContact CD2-CB 4.19Å; L122-L173 HydrophobicContact CD2-CD2 4.16Å
123	V	98.7	Very high	97.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.9	172.5	-177.3	0	0	0	0	108.9	F90 V92 L121 L143 L145 Y154 I155 Q156	F90-V123 HydrophobicContact CB-CG2 4.47Å; F90-V123 CarbonylContact O-C 3.51Å; F90-V123 VanDerWaalsContact O-CA 3.28Å; F90-V123 WeakPolarHBondContact O-CA 3.42Å; V92-V123 HydrophobicContact CG2-CG1 4.17Å; L121-V123 HydrophobicContact CD1-CG2 4.12Å; L121-V123 HydrophobicContact CD2-CG2 4.18Å; L121-V123 HydrophobicContact CG-CG2 4.04Å; V123-L143 HydrophobicContact CG1-CD1 3.93Å; V123-L145 HydrophobicContact CG2-CD1 4.03Å; V123-L145 HydrophobicContact CG2-CD2 4.27Å; V123-Y154 PolarHBondContact N-O 2.85Å; V123-I155 HydrophobicContact CB-CB 4.17Å; V123-I155 HydrophobicContact CB-CD1 4.33Å; V123-I155 HydrophobicContact CB-CG1 3.98Å; V123-I155 HydrophobicContact CG1-CD1 3.98Å; V123-I155 HydrophobicContact CG1-CG1 4.03Å; V123-I155 CarbonylContact O-C 3.51Å; V123-I155 WeakPolarHBondContact O-CA 3.46Å; V123-Q156 PolarHBondContact O-N 3.34Å
124	F	98.6	Very high	97.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	110.1	167.8	-77.5	-45.1	0	0	0	109.8	I33 I89 F90 V91 V92 L122 N126 Q156 T158 L166	I33-F124 HydrophobicContact CD1-CB 4.33Å; I33-F124 HydrophobicContact CD1-CD2 3.93Å; I33-F124 HydrophobicContact CD1-CG 4.4Å; I33-F124 HydrophobicContact CG2-CE2 4.27Å; I89-F124 HydrophobicContact CD1-CE2 4.36Å; I89-F124 HydrophobicContact CG2-CD2 3.4Å; I89-F124 VanDerWaalsContact CG2-CD2 3.4Å; I89-F124 HydrophobicContact CG2-CE2 3.72Å; I89-F124 HydrophobicContact CG2-CG 4.38Å; F90-F124 PolarHBondContact O-N 3.37Å; V91-F124 HydrophobicContact CG1-CB 4.4Å; V91-F124 HydrophobicContact CG2-CB 4.44Å; V91-F124 HydrophobicContact CG2-CD2 4.43Å; V92-F124 PolarHBondContact N-O 2.89Å; L122-F124 HydrophobicContact CD2-CD1 4.49Å; L122-F124 HydrophobicContact CD2-CE1 3.91Å; L122-F124 HydrophobicContact CD2-CE2 3.96Å; L122-F124 HydrophobicContact CD2-CZ 3.61Å; L122-F124 HydrophobicContact CG-CE1 4.4Å; L122-F124 HydrophobicContact CG-CZ 4.46Å; F124-N126 VanDerWaalsContact C-N 3.3Å; F124-N126 PolarHBondContact O-N 2.67Å; F124-N126 VanDerWaalsContact O-N 3.09Å; F124-Q156 HydrophobicContact CD1-CB 4Å; F124-Q156 HydrophobicContact CD1-CG 4.33Å; F124-Q156 HydrophobicContact CE1-CB 4.13Å; F124-Q156 HydrophobicContact CE1-CG 4.16Å; F124-T158 HydrophobicContact CB-CG2 4.43Å; F124-T158 HydrophobicContact CD1-CG2 3.25Å; F124-T158 HydrophobicContact CE1-CG2 3.62Å; F124-T158 HydrophobicContact CG-CG2 4.07Å; F124-L166 HydrophobicContact CE1-CD2 4.42Å; F124-L166 HydrophobicContact CE2-CD2 4.47Å; F124-L166 HydrophobicContact CZ-CD2 4.28Å
125	A	98.8	Very high	97.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	82.2	167.2	0	0	0	0	0	108.3	S94 Q128 L139 I155 Q156 T158	S94-A125 PolarHBondContact OG-O 3.31Å; A125-Q128 VanDerWaalsContact O-CG 3.22Å; A125-Q128 WeakPolarHBondContact O-CG 3.23Å; A125-Q128 PolarHBondContact O-NE2 3.1Å; A125-L139 HydrophobicContact CB-CD1 3.43Å; A125-L139 VanDerWaalsContact CB-CD1 3.43Å; A125-I155 HydrophobicContact CB-CD1 4.26Å; A125-I155 HydrophobicContact CB-CG1 4.22Å; A125-Q156 PolarHBondContact N-O 3.25Å; A125-T158 PolarHBondContact O-N 3.22Å
126	N	98.7	Very high	97.5	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	162.1	-169.8	-170.3	32.2	0	0	0	112.5	A28 V91 V92 S94 F124 T158 A160	A28-N126 PolarHBondContact O-ND2 2.91Å; V91-N126 HydrophobicContact CG1-CB 3.92Å; V92-N126 WeakPolarHBondContact O-CB 3.31Å; V92-N126 PolarHBondContact O-N 2.86Å; S94-N126 WeakPolarHBondContact CB-O 3.47Å; S94-N126 PolarHBondContact N-O 2.8Å; S94-N126 PolarHBondContact OG-N 2.71Å; S94-N126 PolarHBondContact OG-O 3.32Å; F124-N126 VanDerWaalsContact C-N 3.3Å; F124-N126 PolarHBondContact O-N 2.67Å; F124-N126 VanDerWaalsContact O-N 3.09Å; N126-T158 CarbonylContact C-O 3.54Å; N126-T158 WeakPolarHBondContact CA-O 3.33Å; N126-T158 VanDerWaalsContact CA-OG1 3.29Å; N126-T158 WeakPolarHBondContact CA-OG1 3.13Å; N126-T158 PolarHBondContact OD1-OG1 2.72Å; N126-A160 WeakPolarHBondContact OD1-CB 3.07Å; N126-A160 PolarHBondContact OD1-N 2.9Å
127	K	98.4	Very high	97.6	Very high	48 Å²	48	47.3 Å²	47.3	21%	0.209	25%	0.253	C	S	.	.			trans	67.6	36.6	-178.7	-43	-165.6	-166.2	173.3	0	114.2	A27 D93 D129 L130 T158	A27-K127 WeakPolarHBondContact O-CE 3.11Å; A27-K127 PolarHBondContact O-NZ 2.86Å; D93-K127 WeakPolarHBondContact OD1-CD 3.5Å; D93-K127 VanDerWaalsContact OD2-CE 3.26Å; D93-K127 WeakPolarHBondContact OD2-CE 3.21Å; D93-K127 IonicContact OD2-NZ 2.87Å; D93-K127 PolarHBondContact OD2-NZ 3.16Å; K127-D129 WeakPolarHBondContact CA-OD1 3.36Å; K127-D129 PolarHBondContact O-N 3.14Å; K127-D129 VanDerWaalsContact O-N 3.16Å; K127-L130 HydrophobicContact CB-CD1 3.84Å; K127-L130 HydrophobicContact CB-CG 4.15Å; K127-L130 HydrophobicContact CD-CD1 3.92Å; K127-L130 PolarHBondContact O-N 3.09Å; K127-L130 VanDerWaalsContact O-N 3.16Å; K127-T158 PolarHBondContact N-O 2.89Å; K127-T158 VanDerWaalsContact N-O 3.1Å
128	Q	98.5	Very high	97.8	Very high	57 Å²	57	42.8 Å²	42.8	27%	0.266	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10	176.4	-66.1	-72.6	-53.2	0	0	113.5	S94 A125 L130 M134 A157 T158	S94-Q128 PolarHBondContact OG-NE2 3.12Å; A125-Q128 VanDerWaalsContact O-CG 3.22Å; A125-Q128 WeakPolarHBondContact O-CG 3.23Å; A125-Q128 PolarHBondContact O-NE2 3.1Å; Q128-L130 VanDerWaalsContact C-N 3.26Å; Q128-M134 PolarHBondContact NE2-O 2.91Å; Q128-A157 HydrophobicContact CG-CB 4Å; Q128-T158 WeakPolarHBondContact CG-O 3.24Å; Q128-T158 PolarHBondContact N-O 3.16Å; Q128-T158 VanDerWaalsContact N-O 3.12Å
129	D	97.9	Very high	98	Very high	81 Å²	81	37.3 Å²	37.3	43%	0.433	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.3	172.5	56.7	-65.7	0	0	0	113.8	K127 C159	K127-D129 WeakPolarHBondContact CA-OD1 3.36Å; K127-D129 PolarHBondContact O-N 3.14Å; K127-D129 VanDerWaalsContact O-N 3.16Å; D129-C159 VanDerWaalsContact CG-SG 3.5Å; D129-C159 PolarHBondContact OD1-SG 3.16Å
130	L	98	Very high	98.1	Very high	60 Å²	60	37.7 Å²	37.7	31%	0.314	21%	0.211	S	C	.	.	S	Bend	trans	-89.3	146.1	-177	-61.8	-177.3	0	0	0	112.7	N95 K127 Q128 K132 A133	N95-L130 HydrophobicContact CB-CB 3.84Å; N95-L130 HydrophobicContact CB-CD1 3.58Å; N95-L130 HydrophobicContact CB-CG 4.35Å; N95-L130 WeakPolarHBondContact OD1-CB 3.4Å; K127-L130 HydrophobicContact CB-CD1 3.84Å; K127-L130 HydrophobicContact CB-CG 4.15Å; K127-L130 HydrophobicContact CD-CD1 3.92Å; K127-L130 PolarHBondContact O-N 3.09Å; K127-L130 VanDerWaalsContact O-N 3.16Å; Q128-L130 VanDerWaalsContact C-N 3.26Å; L130-K132 VanDerWaalsContact C-N 3.3Å; L130-K132 PolarHBondContact O-N 2.83Å; L130-A133 VanDerWaalsContact O-CB 3.24Å; L130-A133 WeakPolarHBondContact O-CB 3.32Å; L130-A133 PolarHBondContact O-N 2.94Å; L130-A133 VanDerWaalsContact O-N 3.13Å
131	P	96.7	Very high	98.2	Very high	131 Å²	131	42.9 Å²	42.9	85%	0.851	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-20.7	-166.9	26.1	-36.3	0	0	0	115.1
132	K	96.8	Very high	98.2	Very high	150 Å²	150	46.6 Å²	46.6	65%	0.652	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	13	178.7	-60.6	180	179.4	179.2	0	112.2	N95 R97 L130 M134	N95-K132 WeakPolarHBondContact OD1-CA 3.4Å; N95-K132 WeakPolarHBondContact OD1-CB 3.09Å; N95-K132 PolarHBondContact OD1-N 2.83Å; N95-K132 VanDerWaalsContact OD1-N 3.1Å; R97-K132 PolarHBondContact NE-O 2.92Å; R97-K132 PolarHBondContact NH2-O 3.35Å; L130-K132 VanDerWaalsContact C-N 3.3Å; L130-K132 PolarHBondContact O-N 2.83Å; K132-M134 PolarHBondContact O-N 3.15Å
133	A	98.4	Very high	98.2	Very high	22 Å²	22	46.6 Å²	46.6	18%	0.182	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-57.9	125.5	-179.1	0	0	0	0	0	111.5	S94 N95 L130 N135	S94-A133 CarbonylContact O-C 3.58Å; S94-A133 WeakPolarHBondContact O-CA 3.44Å; N95-A133 PolarHBondContact OD1-N 3.13Å; L130-A133 VanDerWaalsContact O-CB 3.24Å; L130-A133 WeakPolarHBondContact O-CB 3.32Å; L130-A133 PolarHBondContact O-N 2.94Å; L130-A133 VanDerWaalsContact O-N 3.13Å; A133-N135 PolarHBondContact O-N 3.37Å
134	M	98.7	Very high	98.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-64.5	127.4	166.2	-64	173.1	-78.4	0	0	108.1	S94 R97 V100 Q128 K132 E138 L139 K142	S94-M134 WeakPolarHBondContact CB-O 3.35Å; S94-M134 WeakPolarHBondContact O-CE 3.14Å; S94-M134 PolarHBondContact O-N 3.23Å; R97-M134 HydrophobicContact CG-CE 4.02Å; R97-M134 HydrophobicContact CG-CG 3.89Å; R97-M134 HydrophobicContact CG-SD 3.91Å; R97-M134 VanDerWaalsContact CZ-CG 3.45Å; V100-M134 HydrophobicContact CB-CE 3.97Å; V100-M134 HydrophobicContact CB-SD 4.29Å; V100-M134 HydrophobicContact CG1-SD 4.42Å; V100-M134 HydrophobicContact CG2-CE 3.9Å; V100-M134 HydrophobicContact CG2-SD 4.04Å; Q128-M134 PolarHBondContact NE2-O 2.91Å; K132-M134 PolarHBondContact O-N 3.15Å; M134-E138 WeakPolarHBondContact CA-OE2 3.33Å; M134-E138 HydrophobicContact CB-CB 4.27Å; M134-E138 HydrophobicContact CB-CG 4.16Å; M134-E138 HydrophobicContact CG-CG 4.22Å; M134-E138 WeakPolarHBondContact CG-OE2 3.43Å; M134-L139 HydrophobicContact CB-CD1 4.48Å; M134-L139 HydrophobicContact CB-CD2 4.12Å; M134-L139 HydrophobicContact CB-CG 3.84Å; M134-L139 HydrophobicContact CE-CD2 3.74Å; M134-L139 HydrophobicContact SD-CD2 3.93Å; M134-K142 HydrophobicContact SD-CD 3.44Å; M134-K142 WeakPolarHBondContact SD-CD 3.45Å
135	N	98.3	Very high	98.2	Very high	84 Å²	84	46.9 Å²	46.9	45%	0.449	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-71	171.2	176.3	66.7	39	0	0	0	110.7	A133 A137 E138 L139	A133-N135 PolarHBondContact O-N 3.37Å; N135-A137 VanDerWaalsContact C-N 3.26Å; N135-A137 PolarHBondContact O-N 3.22Å; N135-A137 WeakPolarHBondContact OD1-CB 3.38Å; N135-A137 PolarHBondContact OD1-N 3.49Å; N135-E138 PolarHBondContact O-N 3.32Å; N135-E138 PolarHBondContact OD1-N 2.89Å; N135-L139 PolarHBondContact O-N 2.88Å
136	A	98.2	Very high	98	Very high	27 Å²	27	52.9 Å²	52.9	22%	0.223	29%	0.286	C	S	.	.	H	α-helix	trans	-59	-34.9	-179	0	0	0	0	0	113.3	T140 I155	A136-T140 WeakPolarHBondContact O-CB 3.39Å; A136-T140 PolarHBondContact O-N 3.08Å; A136-T140 PolarHBondContact O-OG1 3.48Å; A136-I155 HydrophobicContact CB-CD1 4.49Å; A136-I155 HydrophobicContact CB-CG1 4.38Å; A136-I155 HydrophobicContact CB-CG2 4.37Å
137	A	98.3	Very high	97.8	Very high	63 Å²	63	59.7 Å²	59.7	52%	0.521	32%	0.317	S	S	.	.	H	α-helix	trans	-66.6	-48.6	177.8	0	0	0	0	0	111.2	N135 L139 T140 D141	N135-A137 VanDerWaalsContact C-N 3.26Å; N135-A137 PolarHBondContact O-N 3.22Å; N135-A137 WeakPolarHBondContact OD1-CB 3.38Å; N135-A137 PolarHBondContact OD1-N 3.49Å; A137-L139 VanDerWaalsContact C-N 3.32Å; A137-L139 PolarHBondContact O-N 2.84Å; A137-T140 VanDerWaalsContact O-CB 3.32Å; A137-T140 WeakPolarHBondContact O-CB 3.22Å; A137-T140 PolarHBondContact O-N 3.31Å; A137-D141 PolarHBondContact O-N 2.96Å; A137-D141 VanDerWaalsContact O-N 3.14Å
138	E	98.5	Very high	97.7	Very high	55 Å²	55	58.7 Å²	58.7	26%	0.257	31%	0.314	S	S	.	.	H	α-helix	trans	-59.6	-41.9	177.3	-175.2	178.2	-176.9	0	0	111.8	R97 M134 N135 D141 K142	R97-E138 IonicContact CZ-OE1 3.87Å; R97-E138 IonicContact CZ-OE2 3.14Å; R97-E138 IonicContact NH1-OE1 2.72Å; R97-E138 PolarHBondContact NH1-OE1 2.97Å; R97-E138 IonicContact NH1-OE2 2.76Å; R97-E138 PolarHBondContact NH1-OE2 2.89Å; R97-E138 IonicContact NH2-OE1 3.92Å; R97-E138 IonicContact NH2-OE2 2.72Å; R97-E138 PolarHBondContact NH2-OE2 3.31Å; M134-E138 WeakPolarHBondContact CA-OE2 3.33Å; M134-E138 HydrophobicContact CB-CB 4.27Å; M134-E138 HydrophobicContact CB-CG 4.16Å; M134-E138 HydrophobicContact CG-CG 4.22Å; M134-E138 WeakPolarHBondContact CG-OE2 3.43Å; N135-E138 PolarHBondContact O-N 3.32Å; N135-E138 PolarHBondContact OD1-N 2.89Å; E138-D141 PolarHBondContact O-N 2.77Å; E138-K142 HydrophobicContact CG-CD 4.01Å; E138-K142 WeakPolarHBondContact O-CB 3.47Å; E138-K142 WeakPolarHBondContact O-CG 3.36Å; E138-K142 PolarHBondContact O-N 3.5Å; E138-K142 WeakPolarHBondContact OE1-CE 3.38Å
139	L	98.5	Very high	97.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-68.1	-33	174.8	-78.7	177.4	0	0	0	113	V92 S94 V100 A125 M134 N135 A137 D141 K142 L143 I155	V92-L139 HydrophobicContact CG1-CD1 4.31Å; V92-L139 HydrophobicContact CG1-CD2 3.92Å; S94-L139 WeakPolarHBondContact OG-CD1 3.34Å; V100-L139 HydrophobicContact CG2-CD2 3.76Å; A125-L139 HydrophobicContact CB-CD1 3.43Å; A125-L139 VanDerWaalsContact CB-CD1 3.43Å; M134-L139 HydrophobicContact CB-CD1 4.48Å; M134-L139 HydrophobicContact CB-CD2 4.12Å; M134-L139 HydrophobicContact CB-CG 3.84Å; M134-L139 HydrophobicContact CE-CD2 3.74Å; M134-L139 HydrophobicContact SD-CD2 3.93Å; N135-L139 PolarHBondContact O-N 2.88Å; A137-L139 VanDerWaalsContact C-N 3.32Å; A137-L139 PolarHBondContact O-N 2.84Å; L139-D141 VanDerWaalsContact C-N 3.31Å; L139-D141 PolarHBondContact O-N 2.69Å; L139-K142 PolarHBondContact O-N 3.4Å; L139-L143 HydrophobicContact CB-CD1 4.44Å; L139-L143 VanDerWaalsContact O-CB 3.24Å; L139-L143 WeakPolarHBondContact O-CB 3.48Å; L139-L143 WeakPolarHBondContact O-CG 3.41Å; L139-L143 PolarHBondContact O-N 2.86Å; L139-I155 HydrophobicContact CB-CD1 3.85Å
140	T	98.5	Very high	96.8	Very high	10 Å²	10	70.9 Å²	70.9	6%	0.061	37%	0.365	C	S	.	.	H	α-helix	trans	-60.3	-45.2	175.7	-58	0	0	0	0	110.6	A136 A137 G144 L145 H146 W153	A136-T140 WeakPolarHBondContact O-CB 3.39Å; A136-T140 PolarHBondContact O-N 3.08Å; A136-T140 PolarHBondContact O-OG1 3.48Å; A137-T140 VanDerWaalsContact O-CB 3.32Å; A137-T140 WeakPolarHBondContact O-CB 3.22Å; A137-T140 PolarHBondContact O-N 3.31Å; T140-G144 PolarHBondContact O-N 2.69Å; T140-L145 HydrophobicContact CG2-CB 3.97Å; T140-L145 HydrophobicContact CG2-CD1 4.36Å; T140-L145 PolarHBondContact O-N 3.3Å; T140-H146 VanDerWaalsContact CG2-NE2 3.26Å; T140-H146 WeakPolarHBondContact CG2-NE2 3.32Å; T140-W153 HydrophobicContact CG2-CH2 3.91Å; T140-W153 HydrophobicContact CG2-CZ3 4.3Å
141	D	98.1	Very high	96.7	Very high	109 Å²	109	69.5 Å²	69.5	58%	0.583	36%	0.355	S	S	*	.	H	α-helix	trans	-66.6	-51.8	176.4	-70	-32.1	0	0	0	111.4	A137 E138 L139 L143 G144 H146	A137-D141 PolarHBondContact O-N 2.96Å; A137-D141 VanDerWaalsContact O-N 3.14Å; E138-D141 PolarHBondContact O-N 2.77Å; L139-D141 VanDerWaalsContact C-N 3.31Å; L139-D141 PolarHBondContact O-N 2.69Å; D141-L143 VanDerWaalsContact C-N 3.3Å; D141-L143 PolarHBondContact O-N 3.45Å; D141-G144 PolarHBondContact O-N 3.37Å; D141-H146 IonicContact OD1-CD2 2.65Å; D141-H146 IonicContact OD1-NE2 3.66Å
142	K	98.3	Very high	96.7	Very high	78 Å²	78	68.4 Å²	68.4	34%	0.339	34%	0.339	S	S	.	.	H	α-helix	trans	-63.7	-30.8	-177	-75.8	178.7	175.6	-68.9	0	113.8	V100 R104 M134 E138 L139 G144	V100-K142 HydrophobicContact CG1-CD 3.97Å; V100-K142 HydrophobicContact CG2-CB 3.95Å; V100-K142 HydrophobicContact CG2-CD 3.98Å; R104-K142 VanDerWaalsContact CD-O 3.29Å; R104-K142 WeakPolarHBondContact CD-O 3.36Å; M134-K142 HydrophobicContact SD-CD 3.44Å; M134-K142 WeakPolarHBondContact SD-CD 3.45Å; E138-K142 HydrophobicContact CG-CD 4.01Å; E138-K142 WeakPolarHBondContact O-CB 3.47Å; E138-K142 WeakPolarHBondContact O-CG 3.36Å; E138-K142 PolarHBondContact O-N 3.5Å; E138-K142 WeakPolarHBondContact OE1-CE 3.38Å; L139-K142 PolarHBondContact O-N 3.4Å; K142-G144 VanDerWaalsContact C-N 3.33Å
143	L	98.4	Very high	96.8	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-6.3	175.7	-62	171.5	0	0	0	112.5	V92 R104 L107 Q108 V123 L139 D141 L145	V92-L143 HydrophobicContact CG2-CD1 4.01Å; V92-L143 HydrophobicContact CG2-CD2 4.48Å; R104-L143 HydrophobicContact CB-CD2 4.2Å; L107-L143 HydrophobicContact CD2-CB 4.46Å; Q108-L143 PolarHBondContact NE2-O 3Å; V123-L143 HydrophobicContact CG1-CD1 3.93Å; L139-L143 HydrophobicContact CB-CD1 4.44Å; L139-L143 VanDerWaalsContact O-CB 3.24Å; L139-L143 WeakPolarHBondContact O-CB 3.48Å; L139-L143 WeakPolarHBondContact O-CG 3.41Å; L139-L143 PolarHBondContact O-N 2.86Å; D141-L143 VanDerWaalsContact C-N 3.3Å; D141-L143 PolarHBondContact O-N 3.45Å; L143-L145 VanDerWaalsContact C-N 3.3Å; L143-L145 HydrophobicContact CB-CD2 3.82Å; L143-L145 HydrophobicContact CB-CG 3.91Å; L143-L145 PolarHBondContact O-N 3Å
144	G	97.7	Very high	96.8	Very high	5 Å²	5	67.4 Å²	67.4	5%	0.052	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	30	-178.4	0	0	0	0	0	113.5	T140 D141 K142 H146 Q147	T140-G144 PolarHBondContact O-N 2.69Å; D141-G144 PolarHBondContact O-N 3.37Å; K142-G144 VanDerWaalsContact C-N 3.33Å; G144-H146 PolarHBondContact O-N 3Å; G144-Q147 VanDerWaalsContact O-CB 3.31Å; G144-Q147 WeakPolarHBondContact O-CB 3.11Å; G144-Q147 PolarHBondContact O-N 3.33Å
145	L	97.8	Very high	96.8	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-62.7	-29.9	-174.2	-57	-175.9	0	0	0	112.3	L107 V123 T140 L143 Q147 L148 W153 I155	L107-L145 HydrophobicContact CD2-CD2 3.83Å; V123-L145 HydrophobicContact CG2-CD1 4.03Å; V123-L145 HydrophobicContact CG2-CD2 4.27Å; T140-L145 HydrophobicContact CG2-CB 3.97Å; T140-L145 HydrophobicContact CG2-CD1 4.36Å; T140-L145 PolarHBondContact O-N 3.3Å; L143-L145 VanDerWaalsContact C-N 3.3Å; L143-L145 HydrophobicContact CB-CD2 3.82Å; L143-L145 HydrophobicContact CB-CG 3.91Å; L143-L145 PolarHBondContact O-N 3Å; L145-Q147 PolarHBondContact O-N 2.87Å; L145-Q147 VanDerWaalsContact O-N 3.13Å; L145-L148 HydrophobicContact CD2-CD1 4.01Å; L145-L148 WeakPolarHBondContact O-CB 3.26Å; L145-L148 WeakPolarHBondContact O-CG 3.12Å; L145-L148 PolarHBondContact O-N 3.46Å; L145-L148 VanDerWaalsContact O-N 3.08Å; L145-W153 HydrophobicContact CB-CD2 4.3Å; L145-W153 HydrophobicContact CB-CE3 4.19Å; L145-W153 HydrophobicContact CB-CH2 4.15Å; L145-W153 HydrophobicContact CB-CZ2 4.22Å; L145-W153 HydrophobicContact CB-CZ3 4.12Å; L145-W153 HydrophobicContact CD1-CE3 4.07Å; L145-W153 HydrophobicContact CD1-CZ3 4.07Å; L145-W153 PolarHBondContact O-NE1 3.44Å; L145-I155 HydrophobicContact CD1-CB 4.25Å; L145-I155 HydrophobicContact CD1-CD1 4.15Å
146	H	95.8	Very high	96.8	Very high	126 Å²	126	65.5 Å²	65.5	58%	0.583	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-59.3	-21.3	173.8	-66.8	-55.8	0	0	0	114	T140 D141 G144	T140-H146 VanDerWaalsContact CG2-NE2 3.26Å; T140-H146 WeakPolarHBondContact CG2-NE2 3.32Å; D141-H146 IonicContact OD1-CD2 2.65Å; D141-H146 IonicContact OD1-NE2 3.66Å; G144-H146 PolarHBondContact O-N 3Å
147	Q	94.8	Very high	96.8	Very high	148 Å²	148	66 Å²	66	69%	0.692	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-84.5	-13.2	-179.5	-54.7	176	17.6	0	0	112.3	G144 L145 R149	G144-Q147 VanDerWaalsContact O-CB 3.31Å; G144-Q147 WeakPolarHBondContact O-CB 3.11Å; G144-Q147 PolarHBondContact O-N 3.33Å; L145-Q147 PolarHBondContact O-N 2.87Å; L145-Q147 VanDerWaalsContact O-N 3.13Å; Q147-R149 PolarHBondContact O-N 2.96Å
148	L	94.6	Very high	96.8	Very high	26 Å²	26	63.2 Å²	63.2	14%	0.136	30%	0.296	C	S	.	.			trans	-71.8	95.9	179.8	-59	-179.7	0	0	0	110.3	L111 L121 L145 W153	L111-L148 HydrophobicContact CD1-CD1 3.72Å; L111-L148 HydrophobicContact CD1-CD2 3.57Å; L111-L148 HydrophobicContact CD1-CG 4.31Å; L121-L148 HydrophobicContact CD2-CD1 3.72Å; L145-L148 HydrophobicContact CD2-CD1 4.01Å; L145-L148 WeakPolarHBondContact O-CB 3.26Å; L145-L148 WeakPolarHBondContact O-CG 3.12Å; L145-L148 PolarHBondContact O-N 3.46Å; L145-L148 VanDerWaalsContact O-N 3.08Å; L148-W153 HydrophobicContact CD1-CG 4.45Å
149	R	89.1	Confident	96.8	Very high	220 Å²	220	60.9 Å²	60.9	83%	0.83	29%	0.286	S	S	*	.			trans	-85.7	144.6	171.9	-58.8	-173.8	-177.9	-156	0.1	109.4	Q147 R151	Q147-R149 PolarHBondContact O-N 2.96Å; R149-R151 PolarHBondContact O-N 3.27Å
150	N	90.3	Very high	96.7	Very high	174 Å²	174	61 Å²	61	93%	0.93	29%	0.287	S	S	*	.	S	Bend	trans	64.5	17	175.7	-49.8	-32.6	0	0	0	116.3
151	R	94.8	Very high	96.5	Very high	31 Å²	31	63 Å²	63	12%	0.117	30%	0.299	C	S	.	.			trans	-124.1	131.2	174.6	-172.7	175.2	-65.4	-83.9	9.6	110.2	L111 L116 R117 A119 R149 W153	L111-R151 PolarHBondContact O-NH2 2.91Å; L116-R151 PolarHBondContact O-NH1 2.95Å; L116-R151 PolarHBondContact O-NH2 3.46Å; R117-R151 PolarHBondContact O-NH1 3.28Å; R117-R151 PolarHBondContact O-NH2 3.18Å; A119-R151 PolarHBondContact O-NH1 3.15Å; R149-R151 PolarHBondContact O-N 3.27Å; R151-W153 PolarHBondContact O-N 3.13Å
152	Q	96.7	Very high	96.3	Very high	108 Å²	108	62.8 Å²	62.8	51%	0.505	30%	0.295	S	S	.	.			trans	-73.6	121.8	170.4	-64.2	-59.9	-43.9	0	0	108.5	V120 L121	V120-Q152 HydrophobicContact CG1-CB 4.26Å; L121-Q152 PolarHBondContact N-O 3.1Å
153	W	98.2	Very high	96.1	Very high	71 Å²	71	59.5 Å²	59.5	27%	0.269	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	154.8	178.9	67	-96.5	0	0	0	112.1	L121 T140 L145 L148 R151 I155 W172	L121-W153 HydrophobicContact CB-CB 3.99Å; L121-W153 HydrophobicContact CD2-CB 4.1Å; L121-W153 HydrophobicContact CG-CB 4.24Å; L121-W153 CarbonylContact O-C 3.54Å; L121-W153 WeakPolarHBondContact O-CA 3.39Å; T140-W153 HydrophobicContact CG2-CH2 3.91Å; T140-W153 HydrophobicContact CG2-CZ3 4.3Å; L145-W153 HydrophobicContact CB-CD2 4.3Å; L145-W153 HydrophobicContact CB-CE3 4.19Å; L145-W153 HydrophobicContact CB-CH2 4.15Å; L145-W153 HydrophobicContact CB-CZ2 4.22Å; L145-W153 HydrophobicContact CB-CZ3 4.12Å; L145-W153 HydrophobicContact CD1-CE3 4.07Å; L145-W153 HydrophobicContact CD1-CZ3 4.07Å; L145-W153 PolarHBondContact O-NE1 3.44Å; L148-W153 HydrophobicContact CD1-CG 4.45Å; R151-W153 PolarHBondContact O-N 3.13Å; W153-I155 HydrophobicContact CZ3-CG2 4.27Å; W153-W172 VanDerWaalsContact C-CZ2 3.45Å; W153-W172 WeakPolarHBondContact O-CZ2 3.48Å
154	Y	98.4	Very high	96	Very high	81 Å²	81	65 Å²	65	32%	0.318	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	148.6	170.5	178.3	-120.2	0	0	0	109.8	L121 L122 V123 Q156 W172	L121-Y154 PolarHBondContact O-N 3.37Å; L122-Y154 CarbonylContact C-O 3.57Å; L122-Y154 WeakPolarHBondContact CA-O 3.29Å; L122-Y154 HydrophobicContact CD1-CD1 3.78Å; V123-Y154 PolarHBondContact N-O 2.85Å; Y154-Q156 HydrophobicContact CD1-CB 4.32Å; Y154-Q156 HydrophobicContact CE1-CB 3.82Å; Y154-Q156 HydrophobicContact CE1-CG 4.39Å; Y154-Q156 PolarHBondContact OH-OE1 3.25Å; Y154-W172 VanDerWaalsContact CB-CZ2 3.41Å; Y154-W172 HydrophobicContact CD1-CB 3.87Å; Y154-W172 AromaticContact CD1-CD2 3.85Å; Y154-W172 HydrophobicContact CD1-CD2 3.85Å; Y154-W172 HydrophobicContact CD1-CE3 4.15Å; Y154-W172 AromaticContact CD1-CG 3.69Å; Y154-W172 HydrophobicContact CD1-CG 3.69Å; Y154-W172 HydrophobicContact CE1-CB 4.2Å; Y154-W172 HydrophobicContact CE1-CG 4.36Å; Y154-W172 AromaticContact CG-CD2 3.82Å; Y154-W172 HydrophobicContact CG-CD2 3.82Å; Y154-W172 AromaticContact CG-CE2 3.97Å; Y154-W172 HydrophobicContact CG-CE3 4.26Å; Y154-W172 AromaticContact CG-CG 3.9Å; Y154-W172 HydrophobicContact CG-CG 3.9Å
155	I	98.7	Very high	96	Very high	17 Å²	17	65 Å²	65	9%	0.087	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.1	173.9	-173.5	164.1	0	0	0	109.1	V123 A125 A136 L139 L145 W153	V123-I155 HydrophobicContact CB-CB 4.17Å; V123-I155 HydrophobicContact CB-CD1 4.33Å; V123-I155 HydrophobicContact CB-CG1 3.98Å; V123-I155 HydrophobicContact CG1-CD1 3.98Å; V123-I155 HydrophobicContact CG1-CG1 4.03Å; V123-I155 CarbonylContact O-C 3.51Å; V123-I155 WeakPolarHBondContact O-CA 3.46Å; A125-I155 HydrophobicContact CB-CD1 4.26Å; A125-I155 HydrophobicContact CB-CG1 4.22Å; A136-I155 HydrophobicContact CB-CD1 4.49Å; A136-I155 HydrophobicContact CB-CG1 4.38Å; A136-I155 HydrophobicContact CB-CG2 4.37Å; L139-I155 HydrophobicContact CB-CD1 3.85Å; L145-I155 HydrophobicContact CD1-CB 4.25Å; L145-I155 HydrophobicContact CD1-CD1 4.15Å; W153-I155 HydrophobicContact CZ3-CG2 4.27Å
156	Q	98.7	Very high	95.8	Very high	27 Å²	27	65.1 Å²	65.1	13%	0.126	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.2	-178.6	-178.9	57.8	62.6	0	0	109.3	L122 V123 F124 A125 Y154 T158 G165	L122-Q156 HydrophobicContact CD1-CB 4.34Å; V123-Q156 PolarHBondContact O-N 3.34Å; F124-Q156 HydrophobicContact CD1-CB 4Å; F124-Q156 HydrophobicContact CD1-CG 4.33Å; F124-Q156 HydrophobicContact CE1-CB 4.13Å; F124-Q156 HydrophobicContact CE1-CG 4.16Å; A125-Q156 PolarHBondContact N-O 3.25Å; Y154-Q156 HydrophobicContact CD1-CB 4.32Å; Y154-Q156 HydrophobicContact CE1-CB 3.82Å; Y154-Q156 HydrophobicContact CE1-CG 4.39Å; Y154-Q156 PolarHBondContact OH-OE1 3.25Å; Q156-T158 HydrophobicContact CG-CG2 3.94Å; Q156-G165 WeakPolarHBondContact CG-O 3.45Å
157	A	98.7	Very high	95.7	Very high	38 Å²	38	64.1 Å²	64.1	31%	0.314	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	129.9	169.9	0	0	0	0	0	109.5	Q128	Q128-A157 HydrophobicContact CG-CB 4Å
158	T	98.5	Very high	95.7	Very high	3 Å²	3	62 Å²	62	2%	0.018	29%	0.291	C	S	.	.			trans	-141.1	155.9	-175.7	60	0	0	0	0	114.4	F124 A125 N126 K127 Q128 Q156 H164 L166	F124-T158 HydrophobicContact CB-CG2 4.43Å; F124-T158 HydrophobicContact CD1-CG2 3.25Å; F124-T158 HydrophobicContact CE1-CG2 3.62Å; F124-T158 HydrophobicContact CG-CG2 4.07Å; A125-T158 PolarHBondContact O-N 3.22Å; N126-T158 CarbonylContact C-O 3.54Å; N126-T158 WeakPolarHBondContact CA-O 3.33Å; N126-T158 VanDerWaalsContact CA-OG1 3.29Å; N126-T158 WeakPolarHBondContact CA-OG1 3.13Å; N126-T158 PolarHBondContact OD1-OG1 2.72Å; K127-T158 PolarHBondContact N-O 2.89Å; K127-T158 VanDerWaalsContact N-O 3.1Å; Q128-T158 WeakPolarHBondContact CG-O 3.24Å; Q128-T158 PolarHBondContact N-O 3.16Å; Q128-T158 VanDerWaalsContact N-O 3.12Å; Q156-T158 HydrophobicContact CG-CG2 3.94Å; T158-H164 VanDerWaalsContact CA-O 3.28Å; T158-H164 WeakPolarHBondContact CA-O 3.48Å; T158-H164 WeakPolarHBondContact CB-O 3.3Å; T158-L166 HydrophobicContact CG2-CD2 3.92Å
159	C	97.8	Very high	95.8	Very high	6 Å²	6	60.8 Å²	60.8	4%	0.041	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-128.5	98.5	165.7	177.2	0	0	0	0	107.8	D129 T161 Q162 G163 H164	D129-C159 VanDerWaalsContact CG-SG 3.5Å; D129-C159 PolarHBondContact OD1-SG 3.16Å; C159-T161 VanDerWaalsContact C-N 3.26Å; C159-T161 PolarHBondContact O-N 3.1Å; C159-T161 PolarHBondContact SG-OG1 2.96Å; C159-Q162 HydrophobicContact CB-CB 4.25Å; C159-Q162 PolarHBondContact O-N 3.39Å; C159-Q162 VanDerWaalsContact SG-CG 3.54Å; C159-G163 PolarHBondContact O-N 2.86Å; C159-H164 HydrophobicContact CB-CB 4.37Å; C159-H164 PolarHBondContact N-O 2.65Å; C159-H164 VanDerWaalsContact N-O 3.09Å; C159-H164 PolarHBondContact O-N 2.79Å
160	A	96.1	Very high	95.9	Very high	3 Å²	3	50.4 Å²	50.4	3%	0.025	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-35.3	-173.7	0	0	0	0	0	113.9	T32 I33 K36 N126	T32-A160 HydrophobicContact CG2-CB 3.83Å; I33-A160 HydrophobicContact CD1-CB 4.41Å; I33-A160 HydrophobicContact CG1-CB 3.48Å; I33-A160 VanDerWaalsContact CG1-CB 3.48Å; K36-A160 WeakPolarHBondContact CG-O 3.26Å; N126-A160 WeakPolarHBondContact OD1-CB 3.07Å; N126-A160 PolarHBondContact OD1-N 2.9Å
161	T	94.6	Very high	96	Very high	52 Å²	52	44.4 Å²	44.4	32%	0.319	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-43.2	179.2	49.4	0	0	0	0	111	T32 K36 I42 C159	T32-T161 HydrophobicContact CG2-CG2 4.24Å; K36-T161 WeakPolarHBondContact CE-O 3.4Å; K36-T161 PolarHBondContact NZ-O 3.45Å; K36-T161 VanDerWaalsContact NZ-O 3.12Å; I42-T161 WeakPolarHBondContact CD1-O 3.21Å; I42-T161 WeakPolarHBondContact CG1-O 3.04Å; I42-T161 HydrophobicContact CG2-CG2 4.47Å; C159-T161 VanDerWaalsContact C-N 3.26Å; C159-T161 PolarHBondContact O-N 3.1Å; C159-T161 PolarHBondContact SG-OG1 2.96Å
162	Q	93.9	Very high	96.1	Very high	104 Å²	104	45.1 Å²	45.1	49%	0.486	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-22.7	179.8	-61.3	176.1	19.9	0	0	112.5	C159 H164	C159-Q162 HydrophobicContact CB-CB 4.25Å; C159-Q162 PolarHBondContact O-N 3.39Å; C159-Q162 VanDerWaalsContact SG-CG 3.54Å; Q162-H164 VanDerWaalsContact C-N 3.3Å; Q162-H164 PolarHBondContact OE1-CE1 3.14Å; Q162-H164 PolarHBondContact OE1-ND1 3.17Å
163	G	94.2	Very high	95.9	Very high	10 Å²	10	40 Å²	40	10%	0.103	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-1.1	-175.4	0	0	0	0	0	114.1	C159 G165 L166	C159-G163 PolarHBondContact O-N 2.86Å; G163-G165 PolarHBondContact O-N 3.09Å; G163-L166 PolarHBondContact O-N 2.98Å
164	H	96.7	Very high	95.5	Very high	115 Å²	115	36.8 Å²	36.8	53%	0.532	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-61.6	134.5	179.5	-63.3	160.8	0	0	0	111.5	T158 C159 Q162 L166	T158-H164 VanDerWaalsContact CA-O 3.28Å; T158-H164 WeakPolarHBondContact CA-O 3.48Å; T158-H164 WeakPolarHBondContact CB-O 3.3Å; C159-H164 HydrophobicContact CB-CB 4.37Å; C159-H164 PolarHBondContact N-O 2.65Å; C159-H164 VanDerWaalsContact N-O 3.09Å; C159-H164 PolarHBondContact O-N 2.79Å; Q162-H164 VanDerWaalsContact C-N 3.3Å; Q162-H164 PolarHBondContact OE1-CE1 3.14Å; Q162-H164 PolarHBondContact OE1-ND1 3.17Å; H164-L166 PolarHBondContact O-N 3.45Å
165	G	97.3	Very high	95.2	Very high	6 Å²	6	36.9 Å²	36.9	6%	0.062	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-12.8	177.6	0	0	0	0	0	115	Q156 G163 E168 G169	Q156-G165 WeakPolarHBondContact CG-O 3.45Å; G163-G165 PolarHBondContact O-N 3.09Å; G165-E168 WeakPolarHBondContact CA-OE2 3.47Å; G165-E168 PolarHBondContact N-OE2 3.16Å; G165-G169 PolarHBondContact O-N 3.08Å
166	L	94.8	Very high	95	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-66.1	-45.3	-175.8	-61.5	-174.3	0	0	0	111.5	I33 K36 L37 F124 T158 G163 H164 G169 L170	I33-L166 HydrophobicContact CD1-CD2 4.29Å; I33-L166 HydrophobicContact CG1-CD2 3.95Å; I33-L166 HydrophobicContact CG2-CD1 4.46Å; I33-L166 HydrophobicContact CG2-CD2 4.04Å; K36-L166 HydrophobicContact CB-CD1 4.04Å; K36-L166 HydrophobicContact CG-CD1 3.79Å; L37-L166 HydrophobicContact CD2-CB 4.09Å; L37-L166 HydrophobicContact CD2-CD1 4.35Å; L37-L166 HydrophobicContact CG-CD1 4.39Å; F124-L166 HydrophobicContact CE1-CD2 4.42Å; F124-L166 HydrophobicContact CE2-CD2 4.47Å; F124-L166 HydrophobicContact CZ-CD2 4.28Å; T158-L166 HydrophobicContact CG2-CD2 3.92Å; G163-L166 PolarHBondContact O-N 2.98Å; H164-L166 PolarHBondContact O-N 3.45Å; L166-G169 PolarHBondContact O-N 2.55Å; L166-L170 WeakPolarHBondContact O-CG 3.43Å; L166-L170 PolarHBondContact O-N 2.98Å
167	Y	92.6	Very high	94.5	Very high	106 Å²	106	36.3 Å²	36.3	42%	0.416	18%	0.184	S	C	.	.	H	α-helix	trans	-71.5	-34.8	-177.1	-66.9	-67.8	0	0	0	112.2	L37 Y58 L170 D171	L37-Y167 HydrophobicContact CD2-CE1 4.28Å; Y58-Y167 HydrophobicContact CD2-CD1 4.18Å; Y58-Y167 HydrophobicContact CD2-CE1 4.29Å; Y58-Y167 AromaticContact CE2-CD1 3.4Å; Y58-Y167 HydrophobicContact CE2-CD1 3.4Å; Y58-Y167 AromaticContact CE2-CE1 3.83Å; Y58-Y167 HydrophobicContact CE2-CE1 3.83Å; Y58-Y167 AromaticContact CZ-CD1 3.92Å; Y167-L170 PolarHBondContact O-N 3.37Å; Y167-D171 VanDerWaalsContact O-CB 3.25Å; Y167-D171 WeakPolarHBondContact O-CB 3.44Å; Y167-D171 VanDerWaalsContact O-CG 3.3Å; Y167-D171 PolarHBondContact O-N 3.4Å
168	E	95.3	Very high	93.9	Very high	103 Å²	103	37.5 Å²	37.5	48%	0.481	19%	0.19	S	C	.	.	H	α-helix	trans	-63.8	-43.7	175.5	-63.1	87.3	158.3	0	0	111.2	G165 D171 W172	G165-E168 WeakPolarHBondContact CA-OE2 3.47Å; G165-E168 PolarHBondContact N-OE2 3.16Å; E168-D171 PolarHBondContact O-N 3.25Å; E168-W172 PolarHBondContact O-N 3.2Å; E168-W172 VanDerWaalsContact O-N 3.08Å
169	G	96.1	Very high	93.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.7	-44.5	174.6	0	0	0	0	0	112.3	L122 G165 L166 D171 W172 L173	L122-G169 WeakPolarHBondContact CD2-O 3.26Å; G165-G169 PolarHBondContact O-N 3.08Å; L166-G169 PolarHBondContact O-N 2.55Å; G169-D171 VanDerWaalsContact C-N 3.33Å; G169-D171 PolarHBondContact O-N 2.82Å; G169-W172 PolarHBondContact O-N 3.47Å; G169-L173 WeakPolarHBondContact O-CB 3.24Å; G169-L173 PolarHBondContact O-N 2.96Å
170	L	92.3	Very high	91.9	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-33.3	176.3	-72.1	-174.9	0	0	0	113.1	L37 Y58 F63 I89 L166 Y167 L173 S174	L37-L170 HydrophobicContact CD1-CD1 3.78Å; L37-L170 HydrophobicContact CD2-CD1 3.43Å; L37-L170 VanDerWaalsContact CD2-CD1 3.43Å; L37-L170 HydrophobicContact CG-CD1 4.22Å; Y58-L170 HydrophobicContact CD1-CB 3.99Å; Y58-L170 HydrophobicContact CD1-CD1 4.41Å; Y58-L170 HydrophobicContact CE1-CB 3.85Å; Y58-L170 HydrophobicContact CG-CD1 4.28Å; F63-L170 HydrophobicContact CE2-CD1 4.39Å; F63-L170 HydrophobicContact CE2-CD2 4.03Å; F63-L170 HydrophobicContact CZ-CD2 4.36Å; I89-L170 HydrophobicContact CD1-CD2 4.04Å; L166-L170 WeakPolarHBondContact O-CG 3.43Å; L166-L170 PolarHBondContact O-N 2.98Å; Y167-L170 PolarHBondContact O-N 3.37Å; L170-L173 HydrophobicContact CD2-CD2 4.42Å; L170-L173 PolarHBondContact O-N 2.76Å; L170-S174 WeakPolarHBondContact O-CB 3.32Å; L170-S174 PolarHBondContact O-N 3.03Å
171	D	92.5	Very high	91.7	Very high	48 Å²	48	53.8 Å²	53.8	26%	0.257	26%	0.256	S	S	.	.	H	α-helix	trans	-62.7	-47.7	174.1	-88.9	3.1	0	0	0	111.2	Y58 K59 Y167 E168 G169 N175	Y58-D171 WeakPolarHBondContact CE1-OD1 3.2Å; Y58-D171 PolarHBondContact OH-OD1 3.41Å; K59-D171 WeakPolarHBondContact CE-OD1 3.36Å; K59-D171 IonicContact NZ-OD1 2.61Å; K59-D171 PolarHBondContact NZ-OD1 3.23Å; K59-D171 IonicContact NZ-OD2 2.92Å; K59-D171 PolarHBondContact NZ-OD2 2.97Å; Y167-D171 VanDerWaalsContact O-CB 3.25Å; Y167-D171 WeakPolarHBondContact O-CB 3.44Å; Y167-D171 VanDerWaalsContact O-CG 3.3Å; Y167-D171 PolarHBondContact O-N 3.4Å; E168-D171 PolarHBondContact O-N 3.25Å; G169-D171 VanDerWaalsContact C-N 3.33Å; G169-D171 PolarHBondContact O-N 2.82Å; D171-N175 WeakPolarHBondContact O-CB 3.25Å; D171-N175 PolarHBondContact O-N 3.34Å; D171-N175 PolarHBondContact O-ND2 2.71Å; D171-N175 VanDerWaalsContact O-ND2 3.15Å
172	W	95.4	Very high	91.6	Very high	45 Å²	45	53.8 Å²	53.8	17%	0.17	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-48.9	174.1	177.5	93.7	0	0	0	111.3	V120 L121 L122 W153 Y154 E168 G169 S174 N175 Q176	V120-W172 HydrophobicContact CG1-CH2 3.45Å; V120-W172 VanDerWaalsContact CG1-CH2 3.45Å; V120-W172 HydrophobicContact CG1-CZ2 4.48Å; V120-W172 HydrophobicContact CG1-CZ3 3.56Å; L121-W172 WeakPolarHBondContact O-CH2 3.01Å; L121-W172 WeakPolarHBondContact O-CZ3 3.49Å; L122-W172 HydrophobicContact CB-CZ3 4.26Å; L122-W172 HydrophobicContact CD1-CE3 4.21Å; W153-W172 VanDerWaalsContact C-CZ2 3.45Å; W153-W172 WeakPolarHBondContact O-CZ2 3.48Å; Y154-W172 VanDerWaalsContact CB-CZ2 3.41Å; Y154-W172 HydrophobicContact CD1-CB 3.87Å; Y154-W172 AromaticContact CD1-CD2 3.85Å; Y154-W172 HydrophobicContact CD1-CD2 3.85Å; Y154-W172 HydrophobicContact CD1-CE3 4.15Å; Y154-W172 AromaticContact CD1-CG 3.69Å; Y154-W172 HydrophobicContact CD1-CG 3.69Å; Y154-W172 HydrophobicContact CE1-CB 4.2Å; Y154-W172 HydrophobicContact CE1-CG 4.36Å; Y154-W172 AromaticContact CG-CD2 3.82Å; Y154-W172 HydrophobicContact CG-CD2 3.82Å; Y154-W172 AromaticContact CG-CE2 3.97Å; Y154-W172 HydrophobicContact CG-CE3 4.26Å; Y154-W172 AromaticContact CG-CG 3.9Å; Y154-W172 HydrophobicContact CG-CG 3.9Å; E168-W172 PolarHBondContact O-N 3.2Å; E168-W172 VanDerWaalsContact O-N 3.08Å; G169-W172 PolarHBondContact O-N 3.47Å; W172-S174 PolarHBondContact O-N 3.39Å; W172-N175 PolarHBondContact O-N 2.72Å; W172-Q176 HydrophobicContact CD2-CG 3.94Å; W172-Q176 HydrophobicContact CE3-CG 4.27Å; W172-Q176 HydrophobicContact CH2-CG 3.9Å; W172-Q176 HydrophobicContact CZ2-CG 3.53Å; W172-Q176 HydrophobicContact CZ3-CG 4.26Å; W172-Q176 WeakPolarHBondContact O-CG 3.41Å; W172-Q176 PolarHBondContact O-N 3.33Å
173	L	93.3	Very high	91.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-47.2	-177.8	-179.8	60.9	0	0	0	111.3	I20 I89 V120 L122 G169 L170 N175 Q176 L177	I20-L173 HydrophobicContact CD1-CD2 4.09Å; I89-L173 HydrophobicContact CD1-CD2 3.94Å; I89-L173 HydrophobicContact CG1-CD2 3.85Å; V120-L173 HydrophobicContact CB-CD1 4.03Å; V120-L173 HydrophobicContact CG1-CD1 3.77Å; L122-L173 HydrophobicContact CB-CD1 4.46Å; L122-L173 HydrophobicContact CB-CD2 4.39Å; L122-L173 HydrophobicContact CD2-CB 4.19Å; L122-L173 HydrophobicContact CD2-CD2 4.16Å; G169-L173 WeakPolarHBondContact O-CB 3.24Å; G169-L173 PolarHBondContact O-N 2.96Å; L170-L173 HydrophobicContact CD2-CD2 4.42Å; L170-L173 PolarHBondContact O-N 2.76Å; L173-N175 VanDerWaalsContact C-N 3.34Å; L173-N175 PolarHBondContact O-N 2.88Å; L173-Q176 PolarHBondContact O-N 3.37Å; L173-L177 HydrophobicContact CD1-CD1 3.89Å; L173-L177 HydrophobicContact CD1-CG 4.22Å; L173-L177 HydrophobicContact CG-CD1 3.77Å; L173-L177 WeakPolarHBondContact O-CB 3.41Å; L173-L177 WeakPolarHBondContact O-CD1 3.45Å; L173-L177 VanDerWaalsContact O-CG 3.23Å; L173-L177 WeakPolarHBondContact O-CG 3.5Å; L173-L177 PolarHBondContact O-N 2.72Å
174	S	90.2	Very high	91.3	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.028	25%	0.248	C	C	.	.	H	α-helix	trans	-56.1	-47.4	175.5	176.5	0	0	0	0	111.6	I61 L170 W172 Q176 L177 S178	I61-S174 WeakPolarHBondContact CD1-OG 3.46Å; L170-S174 WeakPolarHBondContact O-CB 3.32Å; L170-S174 PolarHBondContact O-N 3.03Å; W172-S174 PolarHBondContact O-N 3.39Å; S174-Q176 PolarHBondContact O-N 2.8Å; S174-L177 PolarHBondContact O-N 3.33Å; S174-S178 WeakPolarHBondContact O-CB 3.45Å; S174-S178 PolarHBondContact O-N 3.17Å
175	N	91.6	Very high	90.9	Very high	83 Å²	83	49.6 Å²	49.6	44%	0.444	23%	0.23	S	C	.	.	H	α-helix	trans	-61.2	-42.9	177.6	-73.8	-25.2	0	0	0	112.1	D171 W172 L173 S178 K179	D171-N175 WeakPolarHBondContact O-CB 3.25Å; D171-N175 PolarHBondContact O-N 3.34Å; D171-N175 PolarHBondContact O-ND2 2.71Å; D171-N175 VanDerWaalsContact O-ND2 3.15Å; W172-N175 PolarHBondContact O-N 2.72Å; L173-N175 VanDerWaalsContact C-N 3.34Å; L173-N175 PolarHBondContact O-N 2.88Å; N175-S178 PolarHBondContact O-N 3.16Å; N175-S178 PolarHBondContact O-OG 2.75Å; N175-K179 WeakPolarHBondContact O-CG 3.11Å; N175-K179 PolarHBondContact O-N 2.64Å
176	Q	93.5	Very high	90.5	Very high	31 Å²	31	52.5 Å²	52.5	15%	0.145	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-39.7	177.8	-63.4	-48.9	-27.3	0	0	112.8	V120 W172 L173 S174 S178 K179	V120-Q176 HydrophobicContact CG1-CB 3.86Å; V120-Q176 HydrophobicContact CG1-CG 4.24Å; V120-Q176 HydrophobicContact CG2-CB 4.23Å; W172-Q176 HydrophobicContact CD2-CG 3.94Å; W172-Q176 HydrophobicContact CE3-CG 4.27Å; W172-Q176 HydrophobicContact CH2-CG 3.9Å; W172-Q176 HydrophobicContact CZ2-CG 3.53Å; W172-Q176 HydrophobicContact CZ3-CG 4.26Å; W172-Q176 WeakPolarHBondContact O-CG 3.41Å; W172-Q176 PolarHBondContact O-N 3.33Å; L173-Q176 PolarHBondContact O-N 3.37Å; S174-Q176 PolarHBondContact O-N 2.8Å; Q176-S178 VanDerWaalsContact C-N 3.33Å; Q176-K179 PolarHBondContact O-N 2.9Å
177	L	89.9	Confident	90.2	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-70.1	-32.1	178.8	-67.1	165.5	0	0	0	112.1	R16 V18 I20 F63 Q86 V120 L173 S174 K179 R180	R16-L177 PolarHBondContact NH1-O 3.47Å; R16-L177 PolarHBondContact NH2-O 3.01Å; V18-L177 HydrophobicContact CG1-CD1 3.8Å; V18-L177 HydrophobicContact CG1-CD2 4.34Å; I20-L177 HydrophobicContact CD1-CD1 3.88Å; F63-L177 HydrophobicContact CE1-CD1 4.27Å; Q86-L177 HydrophobicContact CB-CD2 4.03Å; Q86-L177 VanDerWaalsContact O-CD2 3.31Å; Q86-L177 WeakPolarHBondContact O-CD2 3.46Å; V120-L177 HydrophobicContact CB-CD2 4.3Å; V120-L177 HydrophobicContact CG2-CD2 3.98Å; L173-L177 HydrophobicContact CD1-CD1 3.89Å; L173-L177 HydrophobicContact CD1-CG 4.22Å; L173-L177 HydrophobicContact CG-CD1 3.77Å; L173-L177 WeakPolarHBondContact O-CB 3.41Å; L173-L177 WeakPolarHBondContact O-CD1 3.45Å; L173-L177 VanDerWaalsContact O-CG 3.23Å; L173-L177 WeakPolarHBondContact O-CG 3.5Å; L173-L177 PolarHBondContact O-N 2.72Å; S174-L177 PolarHBondContact O-N 3.33Å; L177-K179 VanDerWaalsContact C-N 3.27Å; L177-K179 PolarHBondContact O-N 2.88Å; L177-R180 PolarHBondContact O-N 3.02Å
178	S	84.8	Confident	90	Very high	62 Å²	62	52.4 Å²	52.4	43%	0.434	25%	0.246	S	C	.	.	H	α-helix	trans	-67.5	-24.7	177.3	76.1	0	0	0	0	114	S174 N175 Q176 R180	S174-S178 WeakPolarHBondContact O-CB 3.45Å; S174-S178 PolarHBondContact O-N 3.17Å; N175-S178 PolarHBondContact O-N 3.16Å; N175-S178 PolarHBondContact O-OG 2.75Å; Q176-S178 VanDerWaalsContact C-N 3.33Å; S178-R180 PolarHBondContact O-N 3.23Å
179	K	83.9	Confident	89.6	Confident	152 Å²	152	48.2 Å²	48.2	66%	0.661	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-7.6	178.9	-68.8	171.3	-174.1	173.5	0	113.4	N175 Q176 L177	N175-K179 WeakPolarHBondContact O-CG 3.11Å; N175-K179 PolarHBondContact O-N 2.64Å; Q176-K179 PolarHBondContact O-N 2.9Å; L177-K179 VanDerWaalsContact C-N 3.27Å; L177-K179 PolarHBondContact O-N 2.88Å
180	R	71.3	Confident	89	Confident	148 Å²	148	52.5 Å²	52.5	56%	0.558	25%	0.248	S	C	*	.			trans	-103.8	0	178.1	-63.4	-178.9	173.4	-153	6.5	110.4	R16 D118 L177 S178	R16-R180 PolarHBondContact NH1-OXT 3.29Å; R16-R180 PolarHBondContact NH2-OXT 3.21Å; D118-R180 PolarHBondContact O-NH1 2.92Å; D118-R180 PolarHBondContact O-NH2 3.23Å; L177-R180 PolarHBondContact O-N 3.02Å; S178-R180 PolarHBondContact O-N 3.23Å

Retrieved 180 of 180 residues in 36.6 ms (Link to these results)

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