A0A087X7E0_POEFO Loading...

ADP-ribosylation factor

GTP-binding protein involved in protein trafficking; modulates vesicle budding and uncoating within the Golgi apparatus.

AlphaFold DB (P61206), UniProt , Accession A0A087X7E0, Species POEFO (Poecilia formosa, Amazon molly), Gene ARF3, Length 181 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.5	Very low	47.5	Very low	224 Å²	224	124.3 Å²	124.3	100%	1.103	69%	0.689	S	S	*	*				0	60.5	0	-70.9	-150.3	-79.1	0	0	110.9
2	G	45.5	Very low	47.4	Very low	70 Å²	70	124.8 Å²	124.8	72%	0.722	69%	0.689	S	S	*	*			trans	-103.3	-5.8	-169.9	0	0	0	0	0	116.4
3	N	53.3	Low	48	Very low	147 Å²	147	124.1 Å²	124.1	79%	0.786	68%	0.682	S	S	*	*	S	Bend	trans	-107.8	4.3	-172.8	-86.4	9.7	0	0	0	115.2
4	I	53.1	Low	48.8	Very low	108 Å²	108	119.3 Å²	119.3	55%	0.554	68%	0.675	S	S	*	*	S	Bend	trans	-91.5	-32.7	-176.8	-56.3	177.8	0	0	0	111.3	L8	I4-L8 HydrophobicContact CG2-CD1 4.13Å; I4-L8 PolarHBondContact O-N 2.66Å
5	F	47.1	Very low	50	Low	173 Å²	173	119 Å²	119	76%	0.759	66%	0.663	S	S	*	*	H	α-helix	trans	-71.5	-31.6	-179.6	-92.7	-89.7	0	0	0	114.1	N7 L9	F5-N7 PolarHBondContact O-N 3.49Å; F5-L9 PolarHBondContact O-N 3.23Å
6	G	51	Low	51.6	Low	48 Å²	48	117.1 Å²	117.1	50%	0.495	65%	0.646	S	S	.	*	H	α-helix	trans	-69.9	-29.5	179.1	0	0	0	0	0	114.3
7	N	46	Very low	53.1	Low	117 Å²	117	118.9 Å²	118.9	63%	0.626	65%	0.648	S	S	*	*	H	α-helix	trans	-87.5	-28	178.5	-73.9	-12.8	0	0	0	112.6	F5	F5-N7 PolarHBondContact O-N 3.49Å
8	L	45.8	Very low	54.9	Low	102 Å²	102	112.6 Å²	112.6	53%	0.534	61%	0.614	S	S	.	*	H	α-helix	trans	-70.6	-36.1	172.4	-110	97.3	0	0	0	112.7	I4 K10 S11 L12	I4-L8 HydrophobicContact CG2-CD1 4.13Å; I4-L8 PolarHBondContact O-N 2.66Å; L8-K10 VanDerWaalsContact C-N 3.29Å; L8-K10 PolarHBondContact O-N 3.37Å; L8-S11 PolarHBondContact O-N 3.35Å; L8-S11 VanDerWaalsContact O-N 3.12Å; L8-L12 PolarHBondContact O-N 3.49Å
9	L	46.2	Very low	56.7	Low	113 Å²	113	111.2 Å²	111.2	59%	0.592	60%	0.598	S	S	*	*	H	α-helix	trans	-66.8	-30.2	179	-141.9	84.3	0	0	0	112.5	F5 S11 L12 I13	F5-L9 PolarHBondContact O-N 3.23Å; L9-S11 VanDerWaalsContact C-N 3.29Å; L9-S11 PolarHBondContact O-N 2.94Å; L9-L12 PolarHBondContact O-N 3.43Å; L9-I13 PolarHBondContact O-N 2.63Å
10	K	43	Very low	58.4	Low	166 Å²	166	105.7 Å²	105.7	72%	0.722	57%	0.569	S	S	*	*	H	α-helix	trans	-68.8	-26.4	173.2	-80.5	-176	176.9	178.3	0	113.2	L8	L8-K10 VanDerWaalsContact C-N 3.29Å; L8-K10 PolarHBondContact O-N 3.37Å
11	S	47.8	Very low	60	Low	99 Å²	99	100.7 Å²	100.7	69%	0.692	54%	0.542	S	S	*	.	H	α-helix	trans	-82.8	-18.5	175.8	150.6	0	0	0	0	112.9	L8 L9	L8-S11 PolarHBondContact O-N 3.35Å; L8-S11 VanDerWaalsContact O-N 3.12Å; L9-S11 VanDerWaalsContact C-N 3.29Å; L9-S11 PolarHBondContact O-N 2.94Å
12	L	46.1	Very low	62.5	Low	130 Å²	130	90 Å²	90	68%	0.681	49%	0.489	S	S	*	.	H	α-helix	trans	-95.5	-8.6	-179.4	-75.8	166.9	0	0	0	114.1	L8 L9 G14	L8-L12 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 3.43Å; L12-G14 VanDerWaalsContact C-N 3.31Å; L12-G14 PolarHBondContact O-N 3.21Å
13	I	55.3	Low	64.8	Low	116 Å²	116	86.7 Å²	86.7	60%	0.595	46%	0.455	S	S	*	.	S	Bend	trans	-79.6	89	166.1	-59.2	165.9	0	0	0	106.2	L9	L9-I13 PolarHBondContact O-N 2.63Å
14	G	59.8	Low	66.7	Low	57 Å²	57	79.7 Å²	79.7	59%	0.588	42%	0.418	S	S	*	.			trans	-49.5	146.3	175	0	0	0	0	0	111.2	L12 K16	L12-G14 VanDerWaalsContact C-N 3.31Å; L12-G14 PolarHBondContact O-N 3.21Å; G14-K16 PolarHBondContact O-N 3.41Å; G14-K16 VanDerWaalsContact O-N 3.14Å
15	K	66.7	Low	68.7	Low	115 Å²	115	75 Å²	75	50%	0.5	39%	0.394	S	S	.	.			trans	-54.4	122.7	175.2	-65	-175.3	-172.4	178.9	0	108	E17 E57	K15-E17 PolarHBondContact O-N 3.33Å; K15-E57 IonicContact NZ-OE1 2.7Å; K15-E57 PolarHBondContact NZ-OE1 3.15Å; K15-E57 IonicContact NZ-OE2 3.12Å; K15-E57 PolarHBondContact NZ-OE2 2.85Å
16	K	74.6	Confident	70.8	Confident	89 Å²	89	68.8 Å²	68.8	39%	0.387	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	112	173.5	-172.8	167.8	172.5	-173.6	0	106.5	G14 M18 S62 K180	G14-K16 PolarHBondContact O-N 3.41Å; G14-K16 VanDerWaalsContact O-N 3.14Å; K16-M18 HydrophobicContact CB-CE 4.45Å; K16-M18 HydrophobicContact CD-CE 3.38Å; K16-M18 HydrophobicContact CD-SD 4.29Å; K16-M18 HydrophobicContact CG-CE 3.72Å; K16-M18 HydrophobicContact CG-SD 4.18Å; K16-S62 PolarHBondContact O-N 3.41Å; K16-K180 PolarHBondContact NZ-O 3.19Å
17	E	77.7	Confident	72.8	Confident	147 Å²	147	69.6 Å²	69.6	69%	0.687	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	129.3	171.8	-67.7	-169	160.6	0	0	109.1	K15	K15-E17 PolarHBondContact O-N 3.33Å
18	M	85.4	Confident	75.2	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.025	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.9	178.2	-62.5	-75	-161.8	0	0	108.9	K16 I20 I61 S62 F63 T64 Q86 L177	K16-M18 HydrophobicContact CB-CE 4.45Å; K16-M18 HydrophobicContact CD-CE 3.38Å; K16-M18 HydrophobicContact CD-SD 4.29Å; K16-M18 HydrophobicContact CG-CE 3.72Å; K16-M18 HydrophobicContact CG-SD 4.18Å; M18-I20 HydrophobicContact CB-CD1 4.41Å; M18-I61 HydrophobicContact CB-CG2 3.99Å; M18-I61 HydrophobicContact CG-CG2 3.61Å; M18-S62 PolarHBondContact N-O 3.47Å; M18-F63 HydrophobicContact CB-CD1 4.05Å; M18-F63 HydrophobicContact CB-CE1 4.34Å; M18-F63 WeakPolarHBondContact O-CA 3.25Å; M18-T64 PolarHBondContact O-N 3.42Å; M18-Q86 VanDerWaalsContact CA-OE1 3.23Å; M18-Q86 HydrophobicContact SD-CB 4.46Å; M18-Q86 HydrophobicContact SD-CG 4.49Å; M18-Q86 PolarHBondContact SD-NE2 2.89Å; M18-Q86 VanDerWaalsContact SD-NE2 3.45Å; M18-L177 HydrophobicContact CE-CB 3.84Å; M18-L177 HydrophobicContact SD-CB 4.49Å
19	R	89.3	Confident	77.5	Confident	86 Å²	86	59.9 Å²	59.9	33%	0.325	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.1	171.6	-81.1	-177	147.6	-128.4	-3.3	109.6	W66 Q83 N84 Q86 G87	R19-W66 VanDerWaalsContact NH2-CZ2 3.26Å; R19-Q83 PolarHBondContact NH1-O 3.07Å; R19-N84 WeakPolarHBondContact CB-O 3.44Å; R19-Q86 PolarHBondContact O-N 2.82Å; R19-G87 PolarHBondContact O-N 2.63Å
20	I	91.1	Very high	79.7	Confident	2 Å²	2	55 Å²	55	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.4	177.1	-53.4	-60	0	0	0	108.6	M18 F63 T64 V65 W66 G87 I89 L173 L177	M18-I20 HydrophobicContact CB-CD1 4.41Å; I20-F63 HydrophobicContact CB-CD1 4.5Å; I20-F63 HydrophobicContact CD1-CD1 3.86Å; I20-F63 HydrophobicContact CD1-CE1 4.01Å; I20-F63 HydrophobicContact CG1-CB 4.01Å; I20-F63 HydrophobicContact CG1-CD1 3.22Å; I20-F63 HydrophobicContact CG1-CE1 3.84Å; I20-F63 HydrophobicContact CG1-CG 3.9Å; I20-T64 PolarHBondContact N-O 3.23Å; I20-V65 WeakPolarHBondContact O-CA 3.18Å; I20-W66 PolarHBondContact O-N 3.49Å; I20-G87 VanDerWaalsContact CA-O 3.28Å; I20-G87 WeakPolarHBondContact CA-O 3.31Å; I20-I89 HydrophobicContact CG2-CD1 3.7Å; I20-I89 HydrophobicContact CG2-CG1 3.69Å; I20-L173 HydrophobicContact CD1-CD2 4.28Å; I20-L173 HydrophobicContact CG2-CD2 4.38Å; I20-L177 HydrophobicContact CD1-CD1 3.59Å
21	L	92.7	Very high	82	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.7	173.5	-179.1	57.1	0	0	0	108.7	V23 W66 V68 F82 T85 G87 L88 I89 M110	L21-V23 HydrophobicContact CD1-CG1 3.77Å; L21-V23 HydrophobicContact CD2-CG1 4.19Å; L21-V23 HydrophobicContact CG-CG1 3.76Å; L21-V23 HydrophobicContact CG-CG2 4.46Å; L21-W66 HydrophobicContact CD1-CB 3.7Å; L21-V68 HydrophobicContact CD1-CG2 4.06Å; L21-F82 HydrophobicContact CD2-CD1 3.48Å; L21-F82 VanDerWaalsContact CD2-CD1 3.48Å; L21-F82 HydrophobicContact CD2-CE1 3.63Å; L21-T85 HydrophobicContact CB-CG2 3.74Å; L21-G87 PolarHBondContact N-O 3.38Å; L21-L88 HydrophobicContact CB-CD1 4.15Å; L21-L88 HydrophobicContact CD2-CD1 4.26Å; L21-L88 HydrophobicContact CG-CD1 4.15Å; L21-L88 CarbonylContact O-C 3.6Å; L21-L88 WeakPolarHBondContact O-CA 3.29Å; L21-I89 PolarHBondContact O-N 3.15Å; L21-M110 HydrophobicContact CD2-CE 4.03Å
22	M	94.1	Very high	84.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114	173.3	-172.1	-179.1	-60.6	0	0	110	K30 I33 V65 W66 I89 V91	M22-K30 HydrophobicContact CG-CB 4.29Å; M22-K30 HydrophobicContact CG-CD 4.48Å; M22-K30 HydrophobicContact CG-CG 4.3Å; M22-K30 HydrophobicContact SD-CB 4.08Å; M22-I33 HydrophobicContact CE-CG2 3.78Å; M22-I33 HydrophobicContact SD-CB 4.25Å; M22-I33 HydrophobicContact SD-CG2 4.1Å; M22-V65 HydrophobicContact CB-CG1 3.51Å; M22-V65 HydrophobicContact CE-CG1 3.96Å; M22-V65 HydrophobicContact SD-CG1 4.43Å; M22-W66 PolarHBondContact N-O 3.07Å; M22-W66 VanDerWaalsContact N-O 3.16Å; M22-I89 WeakPolarHBondContact CA-O 3.34Å; M22-I89 HydrophobicContact CB-CB 4.32Å; M22-I89 HydrophobicContact CE-CB 4.44Å; M22-I89 HydrophobicContact CE-CD1 3.89Å; M22-I89 HydrophobicContact CE-CG2 4.21Å; M22-I89 HydrophobicContact CG-CB 4.12Å; M22-I89 HydrophobicContact CG-CG2 4.06Å; M22-V91 HydrophobicContact CG-CG2 3.82Å; M22-V91 HydrophobicContact SD-CG2 4.1Å
23	V	93.7	Very high	86.4	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	175.1	-174	-72.2	0	0	0	0	110.5	L21 V68 W78 L88 I89 F90 V91 M110	L21-V23 HydrophobicContact CD1-CG1 3.77Å; L21-V23 HydrophobicContact CD2-CG1 4.19Å; L21-V23 HydrophobicContact CG-CG1 3.76Å; L21-V23 HydrophobicContact CG-CG2 4.46Å; V23-V68 HydrophobicContact CG1-CB 4.34Å; V23-V68 HydrophobicContact CG1-CG2 4.27Å; V23-W78 HydrophobicContact CB-CD2 4.37Å; V23-W78 HydrophobicContact CB-CE3 4.4Å; V23-W78 HydrophobicContact CB-CH2 4.38Å; V23-W78 HydrophobicContact CB-CZ2 4.36Å; V23-W78 HydrophobicContact CB-CZ3 4.4Å; V23-W78 HydrophobicContact CG1-CD2 4.08Å; V23-W78 HydrophobicContact CG1-CE3 4.47Å; V23-W78 HydrophobicContact CG1-CG 4.26Å; V23-L88 HydrophobicContact CG2-CD1 3.43Å; V23-L88 VanDerWaalsContact CG2-CD1 3.43Å; V23-I89 PolarHBondContact N-O 2.9Å; V23-F90 HydrophobicContact CG2-CD2 3.88Å; V23-F90 HydrophobicContact CG2-CE2 4.43Å; V23-F90 CarbonylContact O-C 3.55Å; V23-F90 WeakPolarHBondContact O-CA 3.26Å; V23-V91 PolarHBondContact O-N 2.99Å; V23-M110 HydrophobicContact CB-CE 4.27Å; V23-M110 HydrophobicContact CB-SD 4.35Å; V23-M110 HydrophobicContact CG1-CE 4.34Å; V23-M110 HydrophobicContact CG2-CE 3.39Å; V23-M110 HydrophobicContact CG2-SD 3.67Å
24	G	94.8	Very high	88.1	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.			trans	143.4	169.1	-169.9	0	0	0	0	0	109.4	K30 G70 W78 V91	G24-K30 PolarHBondContact O-NZ 3.21Å; G24-G70 WeakPolarHBondContact O-CA 3.34Å; G24-W78 WeakPolarHBondContact O-CZ2 3.37Å; G24-V91 WeakPolarHBondContact CA-O 3.35Å
25	L	94	Very high	89.5	Confident	11 Å²	11	32.8 Å²	32.8	6%	0.058	16%	0.164	C	C	.	.	S	Bend	trans	-61.1	163.9	-178.6	-53.6	-166.6	0	0	0	111.7	A28 K30 R99 E102 A103 E106	L25-A28 VanDerWaalsContact O-CB 3.29Å; L25-A28 WeakPolarHBondContact O-CB 3.33Å; L25-A28 PolarHBondContact O-N 3.33Å; L25-K30 PolarHBondContact O-NZ 2.86Å; L25-R99 HydrophobicContact CD1-CB 3.85Å; L25-E102 HydrophobicContact CD1-CB 4.25Å; L25-E102 HydrophobicContact CD1-CG 4.16Å; L25-E102 HydrophobicContact CD2-CG 4.45Å; L25-A103 HydrophobicContact CD1-CB 3.87Å; L25-A103 HydrophobicContact CG-CB 3.93Å; L25-E106 HydrophobicContact CD2-CG 4.11Å
26	D	91.4	Very high	90.6	Very high	41 Å²	41	28.8 Å²	28.8	22%	0.219	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	153.5	169.1	58.2	-79.1	0	0	0	110.8	A28 G70 Q71 R99	D26-A28 PolarHBondContact O-N 3.06Å; D26-G70 PolarHBondContact N-O 3.36Å; D26-Q71 HydrophobicContact CB-CG 4.03Å; D26-R99 IonicContact OD1-NH1 2.79Å; D26-R99 PolarHBondContact OD1-NH1 2.87Å; D26-R99 VanDerWaalsContact OD1-NH1 3.16Å; D26-R99 IonicContact OD2-CZ 3.77Å; D26-R99 IonicContact OD2-NH1 3.59Å; D26-R99 PolarHBondContact OD2-NH1 2.89Å; D26-R99 IonicContact OD2-NH2 3.91Å
27	A	93	Very high	91.2	Very high	65 Å²	65	25.5 Å²	25.5	54%	0.537	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	0.1	-175.4	0	0	0	0	0	116.6	G29 K127	A27-G29 PolarHBondContact O-N 3.03Å; A27-G29 VanDerWaalsContact O-N 3.13Å; A27-K127 WeakPolarHBondContact O-CE 3.44Å; A27-K127 PolarHBondContact O-NZ 3.34Å
28	A	95.7	Very high	91.4	Very high	2 Å²	2	22.7 Å²	22.7	2%	0.017	12%	0.118	C	C	.	.	S	Bend	trans	-62.8	-19.6	177.8	0	0	0	0	0	114.7	L25 D26 V91 N126	L25-A28 VanDerWaalsContact O-CB 3.29Å; L25-A28 WeakPolarHBondContact O-CB 3.33Å; L25-A28 PolarHBondContact O-N 3.33Å; D26-A28 PolarHBondContact O-N 3.06Å; A28-V91 HydrophobicContact CB-CB 4.27Å; A28-V91 HydrophobicContact CB-CG1 4.07Å; A28-V91 WeakPolarHBondContact CB-O 3.41Å; A28-V91 WeakPolarHBondContact O-CG1 3.34Å; A28-N126 PolarHBondContact O-ND2 3.44Å
29	G	94.9	Very high	91.3	Very high	13 Å²	13	26.5 Å²	26.5	13%	0.134	14%	0.138	C	C	.	.	S	Bend	trans	103.5	15.1	175.3	0	0	0	0	0	115.7	A27 T31 T32 I33	A27-G29 PolarHBondContact O-N 3.03Å; A27-G29 VanDerWaalsContact O-N 3.13Å; G29-T31 PolarHBondContact O-N 2.72Å; G29-T32 WeakPolarHBondContact O-CB 3.44Å; G29-T32 PolarHBondContact O-N 2.85Å; G29-I33 WeakPolarHBondContact O-CG1 3.15Å; G29-I33 PolarHBondContact O-N 3.01Å
30	K	93.1	Very high	90.6	Very high	10 Å²	10	24.7 Å²	24.7	4%	0.043	15%	0.146	C	C	.	.	H	α-helix	trans	-53.4	-52.2	-179.9	-57.7	-175.3	-61.6	-78.2	0	113.4	M22 G24 L25 T32 I33 L34 D67 V68 V91	M22-K30 HydrophobicContact CG-CB 4.29Å; M22-K30 HydrophobicContact CG-CD 4.48Å; M22-K30 HydrophobicContact CG-CG 4.3Å; M22-K30 HydrophobicContact SD-CB 4.08Å; G24-K30 PolarHBondContact O-NZ 3.21Å; L25-K30 PolarHBondContact O-NZ 2.86Å; K30-T32 VanDerWaalsContact C-N 3.3Å; K30-T32 PolarHBondContact O-N 3.02Å; K30-I33 WeakPolarHBondContact O-CB 3.37Å; K30-I33 PolarHBondContact O-N 3.14Å; K30-L34 WeakPolarHBondContact O-CB 3.28Å; K30-L34 PolarHBondContact O-N 3.28Å; K30-D67 WeakPolarHBondContact CB-OD1 3.46Å; K30-D67 VanDerWaalsContact CE-OD1 3.27Å; K30-D67 WeakPolarHBondContact CE-OD1 3.36Å; K30-V68 WeakPolarHBondContact CE-O 3.43Å; K30-V91 HydrophobicContact CG-CB 3.86Å; K30-V91 HydrophobicContact CG-CG1 4.49Å; K30-V91 HydrophobicContact CG-CG2 3.82Å
31	T	89.9	Confident	89.7	Confident	21 Å²	21	30.2 Å²	30.2	13%	0.129	17%	0.172	C	C	.	.	H	α-helix	trans	-62.1	-37.8	178.8	-43.5	0	0	0	0	111.9	G29 L34 Y35 T45 T48 D67	G29-T31 PolarHBondContact O-N 2.72Å; T31-L34 PolarHBondContact O-N 3.4Å; T31-Y35 HydrophobicContact CG2-CD2 3.79Å; T31-Y35 HydrophobicContact CG2-CE2 3.56Å; T31-Y35 VanDerWaalsContact O-CD2 3.25Å; T31-Y35 WeakPolarHBondContact O-CD2 3.4Å; T31-Y35 PolarHBondContact O-N 2.82Å; T31-T45 HydrophobicContact CG2-CG2 3.76Å; T31-T48 PolarHBondContact OG1-OG1 3.35Å; T31-T48 VanDerWaalsContact OG1-OG1 3.08Å; T31-D67 WeakPolarHBondContact CA-OD2 3.28Å; T31-D67 WeakPolarHBondContact CB-OD2 3.3Å; T31-D67 PolarHBondContact N-OD2 3.04Å; T31-D67 PolarHBondContact OG1-OD2 3.23Å
32	T	93	Very high	88.3	Confident	22 Å²	22	34.7 Å²	34.7	14%	0.135	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-46	174.5	-50.6	0	0	0	0	111.3	G29 K30 L34 Y35 K36 A160 T161	G29-T32 WeakPolarHBondContact O-CB 3.44Å; G29-T32 PolarHBondContact O-N 2.85Å; K30-T32 VanDerWaalsContact C-N 3.3Å; K30-T32 PolarHBondContact O-N 3.02Å; T32-L34 VanDerWaalsContact C-N 3.31Å; T32-L34 PolarHBondContact O-N 3.02Å; T32-Y35 PolarHBondContact O-N 2.97Å; T32-K36 WeakPolarHBondContact O-CB 3.43Å; T32-K36 PolarHBondContact O-N 3.13Å; T32-A160 HydrophobicContact CG2-CB 3.86Å; T32-T161 HydrophobicContact CG2-CG2 4.36Å
33	I	93.7	Very high	87.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.9	-46.5	175.1	-67.4	172.3	0	0	0	109.9	M22 G29 K30 Y35 K36 L37 V91 F124 A160 L166	M22-I33 HydrophobicContact CE-CG2 3.78Å; M22-I33 HydrophobicContact SD-CB 4.25Å; M22-I33 HydrophobicContact SD-CG2 4.1Å; G29-I33 WeakPolarHBondContact O-CG1 3.15Å; G29-I33 PolarHBondContact O-N 3.01Å; K30-I33 WeakPolarHBondContact O-CB 3.37Å; K30-I33 PolarHBondContact O-N 3.14Å; I33-Y35 PolarHBondContact O-N 3.13Å; I33-K36 PolarHBondContact O-N 3.29Å; I33-L37 HydrophobicContact CG2-CD1 3.7Å; I33-L37 HydrophobicContact CG2-CG 4.25Å; I33-L37 WeakPolarHBondContact O-CB 3.12Å; I33-L37 VanDerWaalsContact O-CG 3.24Å; I33-L37 WeakPolarHBondContact O-CG 3.4Å; I33-L37 PolarHBondContact O-N 2.95Å; I33-V91 HydrophobicContact CD1-CG1 3.74Å; I33-V91 HydrophobicContact CD1-CG2 3.97Å; I33-F124 HydrophobicContact CD1-CB 4.48Å; I33-F124 HydrophobicContact CD1-CD2 3.89Å; I33-F124 HydrophobicContact CD1-CG 4.48Å; I33-F124 HydrophobicContact CG2-CE2 4.3Å; I33-A160 HydrophobicContact CD1-CB 4.36Å; I33-A160 HydrophobicContact CG1-CB 3.49Å; I33-A160 VanDerWaalsContact CG1-CB 3.49Å; I33-L166 HydrophobicContact CD1-CD2 4.18Å; I33-L166 HydrophobicContact CG1-CD2 3.93Å; I33-L166 HydrophobicContact CG2-CD1 4.36Å; I33-L166 HydrophobicContact CG2-CD2 4.01Å
34	L	91	Very high	86.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-58	-51	-178.7	-175.2	57.7	0	0	0	112.2	K30 T31 T32 L37 K38 E54 V56 V65 D67	K30-L34 WeakPolarHBondContact O-CB 3.28Å; K30-L34 PolarHBondContact O-N 3.28Å; T31-L34 PolarHBondContact O-N 3.4Å; T32-L34 VanDerWaalsContact C-N 3.31Å; T32-L34 PolarHBondContact O-N 3.02Å; L34-L37 PolarHBondContact O-N 3.49Å; L34-K38 VanDerWaalsContact O-CB 3.31Å; L34-K38 WeakPolarHBondContact O-CB 3.4Å; L34-K38 PolarHBondContact O-N 3.3Å; L34-E54 HydrophobicContact CD1-CB 3.88Å; L34-E54 HydrophobicContact CD2-CB 3.89Å; L34-E54 HydrophobicContact CD2-CG 3.71Å; L34-E54 HydrophobicContact CG-CB 4.07Å; L34-E54 HydrophobicContact CG-CG 4.18Å; L34-V56 HydrophobicContact CD1-CG2 3.7Å; L34-V65 HydrophobicContact CD1-CB 3.69Å; L34-V65 HydrophobicContact CD1-CG1 3.8Å; L34-V65 HydrophobicContact CD1-CG2 4.12Å; L34-D67 HydrophobicContact CD2-CB 3.79Å
35	Y	88.6	Confident	85	Confident	60 Å²	60	46.4 Å²	46.4	24%	0.235	27%	0.267	C	S	.	.	H	α-helix	trans	-68.6	-36.9	178.2	-76.3	-61	0	0	0	112.6	T31 T32 I33 L37 K38 L39 V43 T45	T31-Y35 HydrophobicContact CG2-CD2 3.79Å; T31-Y35 HydrophobicContact CG2-CE2 3.56Å; T31-Y35 VanDerWaalsContact O-CD2 3.25Å; T31-Y35 WeakPolarHBondContact O-CD2 3.4Å; T31-Y35 PolarHBondContact O-N 2.82Å; T32-Y35 PolarHBondContact O-N 2.97Å; I33-Y35 PolarHBondContact O-N 3.13Å; Y35-L37 VanDerWaalsContact C-N 3.29Å; Y35-L37 PolarHBondContact O-N 3.46Å; Y35-K38 PolarHBondContact O-N 2.98Å; Y35-L39 HydrophobicContact CD1-CD1 3.73Å; Y35-L39 HydrophobicContact CD1-CG 4.34Å; Y35-L39 HydrophobicContact CE1-CD1 4.47Å; Y35-L39 WeakPolarHBondContact O-CB 3.27Å; Y35-L39 PolarHBondContact O-N 3.45Å; Y35-V43 HydrophobicContact CD1-CG2 4.37Å; Y35-V43 HydrophobicContact CD2-CB 4.34Å; Y35-V43 HydrophobicContact CG-CB 4.22Å; Y35-V43 HydrophobicContact CG-CG2 4.17Å; Y35-T45 HydrophobicContact CD2-CG2 4.33Å
36	K	90.7	Very high	83.8	Confident	30 Å²	30	52.9 Å²	52.9	13%	0.13	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-42.1	175.7	-170.6	71.2	179.2	-165.9	0	111.4	T32 I33 G40 I42 T161 S162 L166	T32-K36 WeakPolarHBondContact O-CB 3.43Å; T32-K36 PolarHBondContact O-N 3.13Å; I33-K36 PolarHBondContact O-N 3.29Å; K36-G40 WeakPolarHBondContact O-CA 3.46Å; K36-G40 PolarHBondContact O-N 3.21Å; K36-I42 HydrophobicContact CD-CG1 4.28Å; K36-T161 WeakPolarHBondContact CE-O 3.3Å; K36-T161 PolarHBondContact NZ-O 2.98Å; K36-S162 WeakPolarHBondContact CE-O 3.21Å; K36-S162 PolarHBondContact NZ-O 3.02Å; K36-L166 HydrophobicContact CB-CD1 4.21Å; K36-L166 HydrophobicContact CG-CD1 3.93Å
37	L	87	Confident	82.9	Confident	21 Å²	21	55.4 Å²	55.4	11%	0.11	32%	0.319	C	S	.	.	H	α-helix	trans	-71.9	-37.8	177.3	-68.4	171.9	0	0	0	112.9	I33 L34 Y35 V56 L166 Y167 L170	I33-L37 HydrophobicContact CG2-CD1 3.7Å; I33-L37 HydrophobicContact CG2-CG 4.25Å; I33-L37 WeakPolarHBondContact O-CB 3.12Å; I33-L37 VanDerWaalsContact O-CG 3.24Å; I33-L37 WeakPolarHBondContact O-CG 3.4Å; I33-L37 PolarHBondContact O-N 2.95Å; L34-L37 PolarHBondContact O-N 3.49Å; Y35-L37 VanDerWaalsContact C-N 3.29Å; Y35-L37 PolarHBondContact O-N 3.46Å; L37-V56 HydrophobicContact CB-CG1 3.8Å; L37-V56 HydrophobicContact CB-CG2 4.41Å; L37-L166 HydrophobicContact CD2-CB 4.22Å; L37-L166 HydrophobicContact CD2-CD1 4.36Å; L37-L166 HydrophobicContact CG-CD1 4.48Å; L37-Y167 HydrophobicContact CD2-CE1 4.2Å; L37-L170 HydrophobicContact CD1-CD1 3.75Å; L37-L170 HydrophobicContact CD2-CD1 3.4Å; L37-L170 HydrophobicContact CG-CD1 4.2Å
38	K	83.4	Confident	81.8	Confident	87 Å²	87	53.8 Å²	53.8	38%	0.378	30%	0.302	S	S	.	.	H	α-helix	trans	-78.2	-41.3	-176.1	-174	175.5	174	-173.8	0	113.1	L34 Y35 E54 V56	L34-K38 VanDerWaalsContact O-CB 3.31Å; L34-K38 WeakPolarHBondContact O-CB 3.4Å; L34-K38 PolarHBondContact O-N 3.3Å; Y35-K38 PolarHBondContact O-N 2.98Å; K38-E54 HydrophobicContact CD-CB 4.34Å; K38-E54 HydrophobicContact CD-CG 4.43Å; K38-E54 IonicContact NZ-OE1 2.65Å; K38-E54 PolarHBondContact NZ-OE1 3.14Å; K38-E54 IonicContact NZ-OE2 3.16Å; K38-E54 PolarHBondContact NZ-OE2 3.06Å; K38-V56 HydrophobicContact CB-CG2 4.39Å
39	L	81.7	Confident	80.5	Confident	85 Å²	85	61.7 Å²	61.7	45%	0.445	34%	0.343	S	S	.	.	H	α-helix	trans	-110.7	-14.3	-170.1	-54.9	177.7	0	0	0	112.8	Y35 E41 V43	Y35-L39 HydrophobicContact CD1-CD1 3.73Å; Y35-L39 HydrophobicContact CD1-CG 4.34Å; Y35-L39 HydrophobicContact CE1-CD1 4.47Å; Y35-L39 WeakPolarHBondContact O-CB 3.27Å; Y35-L39 PolarHBondContact O-N 3.45Å; L39-E41 HydrophobicContact CB-CG 3.83Å; L39-E41 PolarHBondContact O-N 3.45Å; L39-V43 HydrophobicContact CD1-CG2 3.78Å
40	G	76.1	Confident	79.5	Confident	48 Å²	48	62.1 Å²	62.1	50%	0.495	35%	0.347	S	S	.	.	S	Bend	trans	74.4	-7.7	-173.3	0	0	0	0	0	114.3	K36	K36-G40 WeakPolarHBondContact O-CA 3.46Å; K36-G40 PolarHBondContact O-N 3.21Å
41	E	70.8	Confident	78.6	Confident	118 Å²	118	66.8 Å²	66.8	55%	0.551	37%	0.367	S	S	*	.	S	Bend	trans	-117.8	163.3	-177.1	64.9	-175	164.2	0	0	112.6	L39	L39-E41 HydrophobicContact CB-CG 3.83Å; L39-E41 PolarHBondContact O-N 3.45Å
42	I	63.8	Low	77.9	Confident	95 Å²	95	67.8 Å²	67.8	49%	0.487	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-88.9	119.5	176.5	-52.3	169.5	0	0	0	108	K36 T161	K36-I42 HydrophobicContact CD-CG1 4.28Å; I42-T161 WeakPolarHBondContact CD1-O 3.25Å; I42-T161 WeakPolarHBondContact CG1-O 3.47Å
43	V	69.8	Low	77.1	Confident	51 Å²	51	69.2 Å²	69.2	31%	0.309	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-98.4	132.4	169.5	-176.3	0	0	0	0	108.5	Y35 L39 T45	Y35-V43 HydrophobicContact CD1-CG2 4.37Å; Y35-V43 HydrophobicContact CD2-CB 4.34Å; Y35-V43 HydrophobicContact CG-CB 4.22Å; Y35-V43 HydrophobicContact CG-CG2 4.17Å; L39-V43 HydrophobicContact CD1-CG2 3.78Å; V43-T45 WeakPolarHBondContact O-CG2 3.35Å; V43-T45 PolarHBondContact O-N 3.19Å
44	T	72	Confident	76.5	Confident	138 Å²	138	70.9 Å²	70.9	85%	0.847	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-61.1	122.2	171.9	-36.4	0	0	0	0	108.8
45	T	71.1	Confident	76	Confident	56 Å²	56	74.3 Å²	74.3	34%	0.344	41%	0.409	S	S	.	.			trans	-105.8	150.1	-176	63.6	0	0	0	0	111.5	T31 Y35 V43	T31-T45 HydrophobicContact CG2-CG2 3.76Å; Y35-T45 HydrophobicContact CD2-CG2 4.33Å; V43-T45 WeakPolarHBondContact O-CG2 3.35Å; V43-T45 PolarHBondContact O-N 3.19Å
46	I	68.4	Low	75.7	Confident	147 Å²	147	71.7 Å²	71.7	75%	0.754	40%	0.4	S	S	*	.			trans	-113.3	148.8	170.5	-49.7	171.5	0	0	0	105.8	T48	I46-T48 PolarHBondContact O-N 3.47Å; I46-T48 VanDerWaalsContact O-N 3.1Å
47	P	73.3	Confident	75.3	Confident	95 Å²	95	76.1 Å²	76.1	62%	0.617	42%	0.421	S	S	*	.			trans	-48.7	121.4	177.1	-30.9	36.2	0	0	0	112.6	I49	P47-I49 PolarHBondContact O-N 2.97Å
48	T	70.7	Confident	74.9	Confident	30 Å²	30	76.9 Å²	76.9	18%	0.184	42%	0.422	C	S	.	.			trans	-62.7	120.2	-177.6	-51.9	0	0	0	0	110.9	T31 I46 G50	T31-T48 PolarHBondContact OG1-OG1 3.35Å; T31-T48 VanDerWaalsContact OG1-OG1 3.08Å; I46-T48 PolarHBondContact O-N 3.47Å; I46-T48 VanDerWaalsContact O-N 3.1Å; T48-G50 PolarHBondContact O-N 3.03Å
49	I	68.5	Low	74.7	Confident	169 Å²	169	78.4 Å²	78.4	87%	0.867	43%	0.429	S	S	*	.	S	Bend	trans	-89.7	99.7	172	-56.7	177.2	0	0	0	107.2	P47	P47-I49 PolarHBondContact O-N 2.97Å
50	G	73	Confident	74.2	Confident	22 Å²	22	77.4 Å²	77.4	23%	0.227	42%	0.424	C	S	.	.	S	Bend	trans	99.6	-123.9	-179	0	0	0	0	0	112.9	T48 G69	T48-G50 PolarHBondContact O-N 3.03Å; G50-G69 PolarHBondContact O-N 3.3Å
51	F	73.7	Confident	73.9	Confident	108 Å²	108	75.3 Å²	75.3	47%	0.474	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.4	-176.2	69.8	-84.9	0	0	0	111.3	V53 W66 D67 V68 Y81	F51-V53 HydrophobicContact CD2-CG2 3.58Å; F51-V53 HydrophobicContact CE2-CG2 3.62Å; F51-W66 HydrophobicContact CD2-CE3 4.35Å; F51-W66 HydrophobicContact CD2-CZ3 4.42Å; F51-W66 HydrophobicContact CE2-CZ3 4.23Å; F51-D67 WeakPolarHBondContact CA-O 3.36Å; F51-V68 HydrophobicContact CB-CG1 4.39Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.23Å; F51-Y81 HydrophobicContact CD2-CE1 4.44Å; F51-Y81 WeakPolarHBondContact CD2-OH 3.14Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.34Å; F51-Y81 WeakPolarHBondContact CG-OH 3.1Å
52	N	74.9	Confident	74	Confident	42 Å²	42	70 Å²	70	23%	0.225	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.8	170.5	-170.4	36.5	0	0	0	109	E54 D67	N52-E54 WeakPolarHBondContact ND2-CG 2.94Å; N52-D67 HydrophobicContact CB-CB 4.39Å; N52-D67 PolarHBondContact N-O 3.4Å; N52-D67 PolarHBondContact O-N 2.9Å
53	V	77.8	Confident	74.6	Confident	51 Å²	51	65.6 Å²	65.6	31%	0.309	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.5	178.2	-168.1	0	0	0	0	107.7	F51 T64 V65 W66	F51-V53 HydrophobicContact CD2-CG2 3.58Å; F51-V53 HydrophobicContact CE2-CG2 3.62Å; V53-T64 HydrophobicContact CG1-CG2 3.64Å; V53-V65 WeakPolarHBondContact CA-O 3.21Å; V53-W66 HydrophobicContact CB-CE3 4.26Å; V53-W66 HydrophobicContact CB-CZ3 4.24Å; V53-W66 HydrophobicContact CG1-CD2 4.06Å; V53-W66 HydrophobicContact CG1-CE3 4.03Å; V53-W66 HydrophobicContact CG1-CH2 3.96Å; V53-W66 HydrophobicContact CG1-CZ2 3.96Å; V53-W66 HydrophobicContact CG1-CZ3 4.01Å; V53-W66 HydrophobicContact CG2-CD2 4.12Å; V53-W66 HydrophobicContact CG2-CE3 3.3Å; V53-W66 HydrophobicContact CG2-CH2 3.93Å; V53-W66 HydrophobicContact CG2-CZ3 3.2Å
54	E	81.2	Confident	74.9	Confident	36 Å²	36	64.6 Å²	64.6	17%	0.168	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.7	-177.7	-67	-71.5	-147.5	0	0	111.2	L34 K38 N52 V65	L34-E54 HydrophobicContact CD1-CB 3.88Å; L34-E54 HydrophobicContact CD2-CB 3.89Å; L34-E54 HydrophobicContact CD2-CG 3.71Å; L34-E54 HydrophobicContact CG-CB 4.07Å; L34-E54 HydrophobicContact CG-CG 4.18Å; K38-E54 HydrophobicContact CD-CB 4.34Å; K38-E54 HydrophobicContact CD-CG 4.43Å; K38-E54 IonicContact NZ-OE1 2.65Å; K38-E54 PolarHBondContact NZ-OE1 3.14Å; K38-E54 IonicContact NZ-OE2 3.16Å; K38-E54 PolarHBondContact NZ-OE2 3.06Å; N52-E54 WeakPolarHBondContact ND2-CG 2.94Å; E54-V65 PolarHBondContact N-O 3.4Å; E54-V65 PolarHBondContact O-N 3.07Å
55	T	79.3	Confident	75.1	Confident	72 Å²	72	58.2 Å²	58.2	44%	0.442	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.3	172	-59.3	0	0	0	0	109.1	S62 F63	T55-S62 WeakPolarHBondContact CG2-OG 3.25Å; T55-F63 CarbonylContact C-O 3.58Å; T55-F63 WeakPolarHBondContact CA-O 3.1Å
56	V	82.6	Confident	75.3	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.03	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124	175	177.6	0	0	0	0	108	L34 L37 K38 F63 V65	L34-V56 HydrophobicContact CD1-CG2 3.7Å; L37-V56 HydrophobicContact CB-CG1 3.8Å; L37-V56 HydrophobicContact CB-CG2 4.41Å; K38-V56 HydrophobicContact CB-CG2 4.39Å; V56-F63 PolarHBondContact N-O 3.2Å; V56-F63 PolarHBondContact O-N 3.33Å; V56-V65 HydrophobicContact CG2-CG2 4.17Å
57	E	81.5	Confident	75.6	Confident	122 Å²	122	50.2 Å²	50.2	57%	0.57	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.6	172.8	-60.1	-161.8	155.9	0	0	110.3	K15	K15-E57 IonicContact NZ-OE1 2.7Å; K15-E57 PolarHBondContact NZ-OE1 3.15Å; K15-E57 IonicContact NZ-OE2 3.12Å; K15-E57 PolarHBondContact NZ-OE2 2.85Å
58	Y	80.5	Confident	75.7	Confident	37 Å²	37	45.7 Å²	45.7	15%	0.145	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	121.5	172.9	-174.9	-109.1	0	0	0	110.9	N60 I61 F63 Y167 L170 D171	Y58-N60 PolarHBondContact O-N 3.24Å; Y58-N60 VanDerWaalsContact O-N 3.14Å; Y58-I61 PolarHBondContact N-O 3.37Å; Y58-I61 PolarHBondContact O-N 3.12Å; Y58-I61 VanDerWaalsContact O-O 3.13Å; Y58-F63 HydrophobicContact CD1-CE2 4.34Å; Y58-F63 HydrophobicContact CG-CE2 4.5Å; Y58-Y167 HydrophobicContact CD2-CD1 4.01Å; Y58-Y167 HydrophobicContact CD2-CE1 4.24Å; Y58-Y167 AromaticContact CE2-CD1 3.36Å; Y58-Y167 HydrophobicContact CE2-CD1 3.36Å; Y58-Y167 AromaticContact CE2-CE1 3.94Å; Y58-Y167 HydrophobicContact CE2-CE1 3.94Å; Y58-Y167 HydrophobicContact CE2-CG 4.36Å; Y58-Y167 PolarHBondContact OH-O 3.35Å; Y58-L170 HydrophobicContact CD1-CB 4.05Å; Y58-L170 HydrophobicContact CE1-CB 3.97Å; Y58-L170 HydrophobicContact CG-CD1 4.5Å; Y58-D171 HydrophobicContact CE1-CB 4.47Å
59	K	77.7	Confident	76	Confident	119 Å²	119	44.5 Å²	44.5	52%	0.517	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	-114.5	-171.8	-59.6	-176.5	179.5	-173.4	0	110.9	D171	K59-D171 IonicContact NZ-OD1 2.68Å; K59-D171 PolarHBondContact NZ-OD1 3.4Å; K59-D171 IonicContact NZ-OD2 3.13Å; K59-D171 PolarHBondContact NZ-OD2 2.82Å
60	N	71.4	Confident	76.5	Confident	65 Å²	65	36.5 Å²	36.5	35%	0.348	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	16.4	-178.4	69.4	-61.5	0	0	0	112.9	Y58 K178	Y58-N60 PolarHBondContact O-N 3.24Å; Y58-N60 VanDerWaalsContact O-N 3.14Å; N60-K178 WeakPolarHBondContact OD1-CE 3.11Å; N60-K178 PolarHBondContact OD1-NZ 3.08Å
61	I	69.7	Low	77	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.015	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.2	-177.9	-55.1	177.6	0	0	0	108.5	M18 Y58 F63 A174 K178	M18-I61 HydrophobicContact CB-CG2 3.99Å; M18-I61 HydrophobicContact CG-CG2 3.61Å; Y58-I61 PolarHBondContact N-O 3.37Å; Y58-I61 PolarHBondContact O-N 3.12Å; Y58-I61 VanDerWaalsContact O-O 3.13Å; I61-F63 HydrophobicContact CB-CE1 4.23Å; I61-F63 HydrophobicContact CB-CE2 4.5Å; I61-F63 HydrophobicContact CB-CZ 4.12Å; I61-F63 HydrophobicContact CD1-CZ 4.33Å; I61-F63 HydrophobicContact CG2-CD1 3.64Å; I61-F63 HydrophobicContact CG2-CE1 3.38Å; I61-F63 HydrophobicContact CG2-CE2 4.36Å; I61-F63 HydrophobicContact CG2-CG 4.28Å; I61-F63 HydrophobicContact CG2-CZ 3.78Å; I61-A174 HydrophobicContact CD1-CB 3.65Å; I61-K178 HydrophobicContact CD1-CG 4.44Å
62	S	73.8	Confident	77.4	Confident	6 Å²	6	39.1 Å²	39.1	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.9	168.8	-171.9	0	0	0	0	107.6	K16 M18 T55	K16-S62 PolarHBondContact O-N 3.41Å; M18-S62 PolarHBondContact N-O 3.47Å; T55-S62 WeakPolarHBondContact CG2-OG 3.25Å
63	F	76.7	Confident	77.9	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.3	178.2	-60.9	-60.4	0	0	0	109.2	M18 I20 T55 V56 Y58 I61 V65 L170 A174 L177	M18-F63 HydrophobicContact CB-CD1 4.05Å; M18-F63 HydrophobicContact CB-CE1 4.34Å; M18-F63 WeakPolarHBondContact O-CA 3.25Å; I20-F63 HydrophobicContact CB-CD1 4.5Å; I20-F63 HydrophobicContact CD1-CD1 3.86Å; I20-F63 HydrophobicContact CD1-CE1 4.01Å; I20-F63 HydrophobicContact CG1-CB 4.01Å; I20-F63 HydrophobicContact CG1-CD1 3.22Å; I20-F63 HydrophobicContact CG1-CE1 3.84Å; I20-F63 HydrophobicContact CG1-CG 3.9Å; T55-F63 CarbonylContact C-O 3.58Å; T55-F63 WeakPolarHBondContact CA-O 3.1Å; V56-F63 PolarHBondContact N-O 3.2Å; V56-F63 PolarHBondContact O-N 3.33Å; Y58-F63 HydrophobicContact CD1-CE2 4.34Å; Y58-F63 HydrophobicContact CG-CE2 4.5Å; I61-F63 HydrophobicContact CB-CE1 4.23Å; I61-F63 HydrophobicContact CB-CE2 4.5Å; I61-F63 HydrophobicContact CB-CZ 4.12Å; I61-F63 HydrophobicContact CD1-CZ 4.33Å; I61-F63 HydrophobicContact CG2-CD1 3.64Å; I61-F63 HydrophobicContact CG2-CE1 3.38Å; I61-F63 HydrophobicContact CG2-CE2 4.36Å; I61-F63 HydrophobicContact CG2-CG 4.28Å; I61-F63 HydrophobicContact CG2-CZ 3.78Å; F63-V65 HydrophobicContact CB-CG2 4.24Å; F63-V65 PolarHBondContact O-N 3.18Å; F63-L170 HydrophobicContact CE2-CD2 4.44Å; F63-A174 HydrophobicContact CZ-CB 4.42Å; F63-L177 HydrophobicContact CE1-CD1 4.15Å
64	T	75.6	Confident	78.2	Confident	29 Å²	29	45.3 Å²	45.3	18%	0.178	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	108.8	162.4	-52.5	0	0	0	0	107.7	M18 I20 V53 W66	M18-T64 PolarHBondContact O-N 3.42Å; I20-T64 PolarHBondContact N-O 3.23Å; V53-T64 HydrophobicContact CG1-CG2 3.64Å; T64-W66 HydrophobicContact CG2-CZ2 4.32Å
65	V	75.6	Confident	78.4	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.9	178.6	-177	0	0	0	0	109.6	I20 M22 L34 V53 E54 V56 F63	I20-V65 WeakPolarHBondContact O-CA 3.18Å; M22-V65 HydrophobicContact CB-CG1 3.51Å; M22-V65 HydrophobicContact CE-CG1 3.96Å; M22-V65 HydrophobicContact SD-CG1 4.43Å; L34-V65 HydrophobicContact CD1-CB 3.69Å; L34-V65 HydrophobicContact CD1-CG1 3.8Å; L34-V65 HydrophobicContact CD1-CG2 4.12Å; V53-V65 WeakPolarHBondContact CA-O 3.21Å; E54-V65 PolarHBondContact N-O 3.4Å; E54-V65 PolarHBondContact O-N 3.07Å; V56-V65 HydrophobicContact CG2-CG2 4.17Å; F63-V65 HydrophobicContact CB-CG2 4.24Å; F63-V65 PolarHBondContact O-N 3.18Å
66	W	74.9	Confident	78.9	Confident	34 Å²	34	44 Å²	44	13%	0.129	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	99.7	169.8	-57.5	81.1	0	0	0	107.5	R19 I20 L21 M22 F51 V53 T64 V68 Y81	R19-W66 VanDerWaalsContact NH2-CZ2 3.26Å; I20-W66 PolarHBondContact O-N 3.49Å; L21-W66 HydrophobicContact CD1-CB 3.7Å; M22-W66 PolarHBondContact N-O 3.07Å; M22-W66 VanDerWaalsContact N-O 3.16Å; F51-W66 HydrophobicContact CD2-CE3 4.35Å; F51-W66 HydrophobicContact CD2-CZ3 4.42Å; F51-W66 HydrophobicContact CE2-CZ3 4.23Å; V53-W66 HydrophobicContact CB-CE3 4.26Å; V53-W66 HydrophobicContact CB-CZ3 4.24Å; V53-W66 HydrophobicContact CG1-CD2 4.06Å; V53-W66 HydrophobicContact CG1-CE3 4.03Å; V53-W66 HydrophobicContact CG1-CH2 3.96Å; V53-W66 HydrophobicContact CG1-CZ2 3.96Å; V53-W66 HydrophobicContact CG1-CZ3 4.01Å; V53-W66 HydrophobicContact CG2-CD2 4.12Å; V53-W66 HydrophobicContact CG2-CE3 3.3Å; V53-W66 HydrophobicContact CG2-CH2 3.93Å; V53-W66 HydrophobicContact CG2-CZ3 3.2Å; T64-W66 HydrophobicContact CG2-CZ2 4.32Å; W66-V68 HydrophobicContact CB-CG2 4.38Å; W66-V68 PolarHBondContact O-N 3.18Å; W66-Y81 HydrophobicContact CB-CD1 4.48Å; W66-Y81 AromaticContact CD2-CD1 3.54Å; W66-Y81 HydrophobicContact CD2-CD1 3.54Å; W66-Y81 HydrophobicContact CD2-CE1 4.01Å; W66-Y81 HydrophobicContact CD2-CG 4.36Å; W66-Y81 AromaticContact CE3-CD1 3.12Å; W66-Y81 HydrophobicContact CE3-CD1 3.12Å; W66-Y81 AromaticContact CE3-CE1 3.1Å; W66-Y81 HydrophobicContact CE3-CE1 3.1Å; W66-Y81 HydrophobicContact CE3-CG 4.18Å; W66-Y81 HydrophobicContact CG-CD1 4.12Å; W66-Y81 HydrophobicContact CH2-CD1 4.38Å; W66-Y81 HydrophobicContact CH2-CE1 4.31Å; W66-Y81 AromaticContact CZ3-CD1 3.59Å; W66-Y81 HydrophobicContact CZ3-CD1 3.59Å; W66-Y81 AromaticContact CZ3-CE1 3.27Å; W66-Y81 HydrophobicContact CZ3-CE1 3.27Å
67	D	74.6	Confident	79	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	103.2	171.4	173.7	30.9	0	0	0	108.3	K30 T31 L34 F51 N52	K30-D67 WeakPolarHBondContact CB-OD1 3.46Å; K30-D67 VanDerWaalsContact CE-OD1 3.27Å; K30-D67 WeakPolarHBondContact CE-OD1 3.36Å; T31-D67 WeakPolarHBondContact CA-OD2 3.28Å; T31-D67 WeakPolarHBondContact CB-OD2 3.3Å; T31-D67 PolarHBondContact N-OD2 3.04Å; T31-D67 PolarHBondContact OG1-OD2 3.23Å; L34-D67 HydrophobicContact CD2-CB 3.79Å; F51-D67 WeakPolarHBondContact CA-O 3.36Å; N52-D67 HydrophobicContact CB-CB 4.39Å; N52-D67 PolarHBondContact N-O 3.4Å; N52-D67 PolarHBondContact O-N 2.9Å
68	V	77.3	Confident	79.3	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.4	-178	-161.7	0	0	0	0	109.1	L21 V23 K30 F51 W66 G70 W78 Y81	L21-V68 HydrophobicContact CD1-CG2 4.06Å; V23-V68 HydrophobicContact CG1-CB 4.34Å; V23-V68 HydrophobicContact CG1-CG2 4.27Å; K30-V68 WeakPolarHBondContact CE-O 3.43Å; F51-V68 HydrophobicContact CB-CG1 4.39Å; W66-V68 HydrophobicContact CB-CG2 4.38Å; W66-V68 PolarHBondContact O-N 3.18Å; V68-G70 PolarHBondContact O-N 3.42Å; V68-W78 HydrophobicContact CG1-CG 4.42Å; V68-Y81 HydrophobicContact CG1-CE2 4.44Å; V68-Y81 HydrophobicContact CG2-CD2 3.91Å; V68-Y81 HydrophobicContact CG2-CE2 4.13Å
69	G	76.9	Confident	79.6	Confident	4 Å²	4	46.5 Å²	46.5	4%	0.041	22%	0.222	C	C	.	.			trans	-55.4	145.2	178.3	0	0	0	0	0	111.3	G50 I74 W78	G50-G69 PolarHBondContact O-N 3.3Å; G69-I74 WeakPolarHBondContact O-CD1 3.49Å; G69-I74 WeakPolarHBondContact O-CG1 3.43Å; G69-W78 PolarHBondContact O-NE1 3.14Å
70	G	78.5	Confident	80.1	Confident	2 Å²	2	46.8 Å²	46.8	2%	0.021	23%	0.225	C	C	.	.			trans	-102.9	5.2	-170	0	0	0	0	0	115.6	G24 D26 V68 R75	G24-G70 WeakPolarHBondContact O-CA 3.34Å; D26-G70 PolarHBondContact N-O 3.36Å; V68-G70 PolarHBondContact O-N 3.42Å; G70-R75 PolarHBondContact O-NE 3.02Å; G70-R75 PolarHBondContact O-NH2 3.05Å
71	Q	82.1	Confident	80.8	Confident	83 Å²	83	45 Å²	45	39%	0.388	21%	0.214	S	C	.	.	S	Bend	trans	-68.6	144.1	177.9	-58	177	21.6	0	0	110.1	D26 K73 I74 R75	D26-Q71 HydrophobicContact CB-CG 4.03Å; Q71-K73 PolarHBondContact O-N 3.4Å; Q71-I74 HydrophobicContact CB-CD1 4.32Å; Q71-I74 HydrophobicContact CB-CG1 4.08Å; Q71-I74 WeakPolarHBondContact O-CG1 3.38Å; Q71-I74 PolarHBondContact O-N 3.42Å; Q71-R75 WeakPolarHBondContact O-CG 3.18Å; Q71-R75 PolarHBondContact O-N 3.01Å
72	D	83.5	Confident	81.9	Confident	101 Å²	101	45.1 Å²	45.1	54%	0.54	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-41.6	-172	-53.8	0.2	0	0	0	113.1	I74 R75	D72-I74 PolarHBondContact O-N 3.34Å; D72-R75 PolarHBondContact O-N 3.08Å; D72-R75 IonicContact OD1-CZ 3.78Å; D72-R75 IonicContact OD1-NE 2.77Å; D72-R75 IonicContact OD1-NH1 2.63Å; D72-R75 IonicContact OD1-NH2 2.89Å; D72-R75 PolarHBondContact OD1-NH2 2.78Å
73	K	85.5	Confident	82.6	Confident	193 Å²	193	50.8 Å²	50.8	84%	0.839	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.2	-177.3	-64.3	-177.2	-178.8	177.4	0	114.1	Q71	Q71-K73 PolarHBondContact O-N 3.4Å
74	I	84.1	Confident	83.2	Confident	31 Å²	31	56.7 Å²	56.7	16%	0.159	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-10.3	-174.9	58.5	173.1	0	0	0	113.5	G69 Q71 D72 P76 L77	G69-I74 WeakPolarHBondContact O-CD1 3.49Å; G69-I74 WeakPolarHBondContact O-CG1 3.43Å; Q71-I74 HydrophobicContact CB-CD1 4.32Å; Q71-I74 HydrophobicContact CB-CG1 4.08Å; Q71-I74 WeakPolarHBondContact O-CG1 3.38Å; Q71-I74 PolarHBondContact O-N 3.42Å; D72-I74 PolarHBondContact O-N 3.34Å; I74-P76 VanDerWaalsContact C-N 3.28Å; I74-L77 HydrophobicContact CB-CD1 4.31Å; I74-L77 HydrophobicContact CG2-CD1 4.47Å; I74-L77 VanDerWaalsContact O-CB 3.28Å; I74-L77 WeakPolarHBondContact O-CB 3.48Å; I74-L77 PolarHBondContact O-N 2.97Å
75	R	85.8	Confident	84	Confident	17 Å²	17	55.7 Å²	55.7	6%	0.064	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-53.4	-35.3	174.2	-59.3	-176.4	-167.7	161.2	3.2	114.2	G70 Q71 D72 L77 W78 E102 E106	G70-R75 PolarHBondContact O-NE 3.02Å; G70-R75 PolarHBondContact O-NH2 3.05Å; Q71-R75 WeakPolarHBondContact O-CG 3.18Å; Q71-R75 PolarHBondContact O-N 3.01Å; D72-R75 PolarHBondContact O-N 3.08Å; D72-R75 IonicContact OD1-CZ 3.78Å; D72-R75 IonicContact OD1-NE 2.77Å; D72-R75 IonicContact OD1-NH1 2.63Å; D72-R75 IonicContact OD1-NH2 2.89Å; D72-R75 PolarHBondContact OD1-NH2 2.78Å; R75-L77 PolarHBondContact O-N 3.46Å; R75-L77 VanDerWaalsContact O-N 3.07Å; R75-W78 HydrophobicContact CB-CD2 4.34Å; R75-W78 HydrophobicContact CB-CZ2 4.45Å; R75-W78 HydrophobicContact CG-CH2 4.22Å; R75-W78 HydrophobicContact CG-CZ2 3.89Å; R75-W78 VanDerWaalsContact O-CB 3.25Å; R75-W78 WeakPolarHBondContact O-CB 3.33Å; R75-W78 PolarHBondContact O-N 2.98Å; R75-E102 IonicContact CZ-OE1 3.77Å; R75-E102 IonicContact NH1-OE1 3.71Å; R75-E102 PolarHBondContact NH1-OE1 2.79Å; R75-E102 IonicContact NH2-OE1 3.18Å; R75-E102 PolarHBondContact NH2-OE1 3.36Å; R75-E106 VanDerWaalsContact CD-OE1 3.31Å; R75-E106 WeakPolarHBondContact CD-OE1 3.42Å; R75-E106 IonicContact CZ-OE1 2.69Å; R75-E106 IonicContact NH1-OE1 3.65Å; R75-E106 PolarHBondContact NH1-OE1 2.81Å
76	P	88.1	Confident	84.8	Confident	62 Å²	62	58.8 Å²	58.8	40%	0.403	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-56.9	-25.4	174.6	-28.4	37.2	0	0	0	114.3	I74 W78 R79	I74-P76 VanDerWaalsContact C-N 3.28Å; P76-W78 PolarHBondContact O-N 2.8Å; P76-R79 WeakPolarHBondContact O-CG 3.46Å; P76-R79 PolarHBondContact O-NE 2.69Å; P76-R79 VanDerWaalsContact O-NE 3.15Å
77	L	84.7	Confident	85.7	Confident	72 Å²	72	57.2 Å²	57.2	38%	0.377	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-72.6	-17.6	179.4	-58.8	176.5	0	0	0	113	I74 R75 R79 H80 Y81	I74-L77 HydrophobicContact CB-CD1 4.31Å; I74-L77 HydrophobicContact CG2-CD1 4.47Å; I74-L77 VanDerWaalsContact O-CB 3.28Å; I74-L77 WeakPolarHBondContact O-CB 3.48Å; I74-L77 PolarHBondContact O-N 2.97Å; R75-L77 PolarHBondContact O-N 3.46Å; R75-L77 VanDerWaalsContact O-N 3.07Å; L77-R79 PolarHBondContact O-N 3.4Å; L77-R79 VanDerWaalsContact O-N 3.16Å; L77-H80 WeakPolarHBondContact O-CB 3.27Å; L77-H80 PolarHBondContact O-CD2 2.9Å; L77-H80 PolarHBondContact O-N 2.81Å; L77-H80 VanDerWaalsContact O-N 3.1Å; L77-Y81 WeakPolarHBondContact O-CD2 3.28Å; L77-Y81 WeakPolarHBondContact O-CE2 3.49Å
78	W	88.6	Confident	86.7	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.015	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-55	-37.2	-179	-66.4	5.3	0	0	0	111.6	V23 G24 V68 G69 R75 P76 H80 Y81 F82 E106 M110	V23-W78 HydrophobicContact CB-CD2 4.37Å; V23-W78 HydrophobicContact CB-CE3 4.4Å; V23-W78 HydrophobicContact CB-CH2 4.38Å; V23-W78 HydrophobicContact CB-CZ2 4.36Å; V23-W78 HydrophobicContact CB-CZ3 4.4Å; V23-W78 HydrophobicContact CG1-CD2 4.08Å; V23-W78 HydrophobicContact CG1-CE3 4.47Å; V23-W78 HydrophobicContact CG1-CG 4.26Å; G24-W78 WeakPolarHBondContact O-CZ2 3.37Å; V68-W78 HydrophobicContact CG1-CG 4.42Å; G69-W78 PolarHBondContact O-NE1 3.14Å; R75-W78 HydrophobicContact CB-CD2 4.34Å; R75-W78 HydrophobicContact CB-CZ2 4.45Å; R75-W78 HydrophobicContact CG-CH2 4.22Å; R75-W78 HydrophobicContact CG-CZ2 3.89Å; R75-W78 VanDerWaalsContact O-CB 3.25Å; R75-W78 WeakPolarHBondContact O-CB 3.33Å; R75-W78 PolarHBondContact O-N 2.98Å; P76-W78 PolarHBondContact O-N 2.8Å; W78-H80 PolarHBondContact O-N 3.05Å; W78-H80 VanDerWaalsContact O-N 3.14Å; W78-Y81 PolarHBondContact O-N 3.32Å; W78-F82 HydrophobicContact CB-CE1 3.92Å; W78-F82 HydrophobicContact CB-CZ 4.02Å; W78-F82 VanDerWaalsContact O-CD1 3.23Å; W78-F82 WeakPolarHBondContact O-CD1 3.34Å; W78-F82 WeakPolarHBondContact O-CE1 3.23Å; W78-E106 HydrophobicContact CZ3-CB 4.1Å; W78-M110 HydrophobicContact CD2-SD 4.38Å; W78-M110 HydrophobicContact CE3-CE 4.3Å; W78-M110 HydrophobicContact CE3-CG 3.99Å; W78-M110 HydrophobicContact CE3-SD 3.28Å; W78-M110 HydrophobicContact CZ3-CG 4.31Å; W78-M110 HydrophobicContact CZ3-SD 3.44Å; W78-M110 WeakPolarHBondContact CZ3-SD 3.49Å
79	R	87.4	Confident	87.7	Confident	141 Å²	141	57.2 Å²	57.2	53%	0.532	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-59.4	-27	-178.5	76.9	-174.8	67.9	147.9	-2.2	114.4	P76 L77 Y81 F82	P76-R79 WeakPolarHBondContact O-CG 3.46Å; P76-R79 PolarHBondContact O-NE 2.69Å; P76-R79 VanDerWaalsContact O-NE 3.15Å; L77-R79 PolarHBondContact O-N 3.4Å; L77-R79 VanDerWaalsContact O-N 3.16Å; R79-Y81 PolarHBondContact O-N 3.49Å; R79-Y81 VanDerWaalsContact O-N 3.16Å; R79-F82 VanDerWaalsContact CA-CE2 3.43Å; R79-F82 HydrophobicContact CB-CD2 4.07Å; R79-F82 HydrophobicContact CB-CE2 3.75Å; R79-F82 HydrophobicContact CB-CZ 4.25Å; R79-F82 PolarHBondContact O-N 3.46Å
80	H	87.2	Confident	88.7	Confident	126 Å²	126	57 Å²	57	58%	0.583	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-67.5	-14.4	178.2	-62.3	-53.5	0	0	0	113	L77 W78	L77-H80 WeakPolarHBondContact O-CB 3.27Å; L77-H80 PolarHBondContact O-CD2 2.9Å; L77-H80 PolarHBondContact O-N 2.81Å; L77-H80 VanDerWaalsContact O-N 3.1Å; W78-H80 PolarHBondContact O-N 3.05Å; W78-H80 VanDerWaalsContact O-N 3.14Å
81	Y	87.3	Confident	89.6	Confident	27 Å²	27	56.9 Å²	56.9	11%	0.106	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-106.7	-3.5	-177.1	-55.4	-73.7	0	0	0	113.4	F51 W66 V68 L77 W78 R79 Q83 T85	F51-Y81 WeakPolarHBondContact CD1-OH 3.23Å; F51-Y81 HydrophobicContact CD2-CE1 4.44Å; F51-Y81 WeakPolarHBondContact CD2-OH 3.14Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.34Å; F51-Y81 WeakPolarHBondContact CG-OH 3.1Å; W66-Y81 HydrophobicContact CB-CD1 4.48Å; W66-Y81 AromaticContact CD2-CD1 3.54Å; W66-Y81 HydrophobicContact CD2-CD1 3.54Å; W66-Y81 HydrophobicContact CD2-CE1 4.01Å; W66-Y81 HydrophobicContact CD2-CG 4.36Å; W66-Y81 AromaticContact CE3-CD1 3.12Å; W66-Y81 HydrophobicContact CE3-CD1 3.12Å; W66-Y81 AromaticContact CE3-CE1 3.1Å; W66-Y81 HydrophobicContact CE3-CE1 3.1Å; W66-Y81 HydrophobicContact CE3-CG 4.18Å; W66-Y81 HydrophobicContact CG-CD1 4.12Å; W66-Y81 HydrophobicContact CH2-CD1 4.38Å; W66-Y81 HydrophobicContact CH2-CE1 4.31Å; W66-Y81 AromaticContact CZ3-CD1 3.59Å; W66-Y81 HydrophobicContact CZ3-CD1 3.59Å; W66-Y81 AromaticContact CZ3-CE1 3.27Å; W66-Y81 HydrophobicContact CZ3-CE1 3.27Å; V68-Y81 HydrophobicContact CG1-CE2 4.44Å; V68-Y81 HydrophobicContact CG2-CD2 3.91Å; V68-Y81 HydrophobicContact CG2-CE2 4.13Å; L77-Y81 WeakPolarHBondContact O-CD2 3.28Å; L77-Y81 WeakPolarHBondContact O-CE2 3.49Å; W78-Y81 PolarHBondContact O-N 3.32Å; R79-Y81 PolarHBondContact O-N 3.49Å; R79-Y81 VanDerWaalsContact O-N 3.16Å; Y81-Q83 VanDerWaalsContact C-N 3.31Å; Y81-Q83 PolarHBondContact O-N 3.41Å; Y81-T85 PolarHBondContact O-OG1 3.04Å
82	F	91.3	Very high	90.4	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.026	25%	0.253	C	S	.	.			trans	-68	-32.3	-176.7	-62.1	-10.6	0	0	0	112.6	L21 W78 R79 N84 T85 M110 E113 E115 L116	L21-F82 HydrophobicContact CD2-CD1 3.48Å; L21-F82 VanDerWaalsContact CD2-CD1 3.48Å; L21-F82 HydrophobicContact CD2-CE1 3.63Å; W78-F82 HydrophobicContact CB-CE1 3.92Å; W78-F82 HydrophobicContact CB-CZ 4.02Å; W78-F82 VanDerWaalsContact O-CD1 3.23Å; W78-F82 WeakPolarHBondContact O-CD1 3.34Å; W78-F82 WeakPolarHBondContact O-CE1 3.23Å; R79-F82 VanDerWaalsContact CA-CE2 3.43Å; R79-F82 HydrophobicContact CB-CD2 4.07Å; R79-F82 HydrophobicContact CB-CE2 3.75Å; R79-F82 HydrophobicContact CB-CZ 4.25Å; R79-F82 PolarHBondContact O-N 3.46Å; F82-N84 PolarHBondContact O-N 3.38Å; F82-T85 WeakPolarHBondContact O-CB 3.22Å; F82-T85 PolarHBondContact O-N 3.41Å; F82-T85 PolarHBondContact O-OG1 2.97Å; F82-M110 HydrophobicContact CD1-CE 4.5Å; F82-M110 HydrophobicContact CE1-CE 3.55Å; F82-M110 HydrophobicContact CZ-CB 4.48Å; F82-M110 HydrophobicContact CZ-CE 3.93Å; F82-M110 HydrophobicContact CZ-CG 4.02Å; F82-E113 HydrophobicContact CD2-CB 3.88Å; F82-E113 HydrophobicContact CD2-CG 4.04Å; F82-E113 HydrophobicContact CE2-CB 4.01Å; F82-E113 HydrophobicContact CE2-CG 3.66Å; F82-E115 HydrophobicContact CB-CB 3.65Å; F82-E115 HydrophobicContact CB-CG 4.44Å; F82-L116 HydrophobicContact CB-CD1 4.47Å; F82-L116 HydrophobicContact CB-CD2 3.94Å; F82-L116 HydrophobicContact CB-CG 3.89Å; F82-L116 HydrophobicContact CD1-CD1 3.7Å; F82-L116 HydrophobicContact CD1-CD2 4.17Å; F82-L116 HydrophobicContact CD1-CG 4.06Å; F82-L116 HydrophobicContact CD2-CD1 4.05Å; F82-L116 HydrophobicContact CD2-CG 4.15Å; F82-L116 HydrophobicContact CE1-CD1 3.88Å; F82-L116 HydrophobicContact CE2-CD1 4.23Å; F82-L116 HydrophobicContact CG-CD1 3.81Å; F82-L116 HydrophobicContact CG-CD2 4.12Å; F82-L116 HydrophobicContact CG-CG 3.76Å; F82-L116 HydrophobicContact CZ-CD1 4.14Å
83	Q	89.9	Confident	91.1	Very high	124 Å²	124	49.4 Å²	49.4	58%	0.579	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	129.8	-179.5	-71.7	-172.5	-17.3	0	0	112.3	R19 Y81 T85 E115	R19-Q83 PolarHBondContact NH1-O 3.07Å; Y81-Q83 VanDerWaalsContact C-N 3.31Å; Y81-Q83 PolarHBondContact O-N 3.41Å; Q83-T85 PolarHBondContact O-N 2.81Å; Q83-E115 HydrophobicContact CG-CG 4.22Å
84	N	88.9	Confident	91.7	Very high	128 Å²	128	40.2 Å²	40.2	68%	0.684	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	18.5	-178.6	-52.8	-50.5	0	0	0	114.5	R19 F82 Q86	R19-N84 WeakPolarHBondContact CB-O 3.44Å; F82-N84 PolarHBondContact O-N 3.38Å; N84-Q86 PolarHBondContact O-N 2.98Å
85	T	91.8	Very high	92.4	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.049	20%	0.199	C	C	.	.			trans	-75.4	119.8	174.6	-68.8	0	0	0	0	109.7	L21 Y81 F82 Q83 G87 L116 A119	L21-T85 HydrophobicContact CB-CG2 3.74Å; Y81-T85 PolarHBondContact O-OG1 3.04Å; F82-T85 WeakPolarHBondContact O-CB 3.22Å; F82-T85 PolarHBondContact O-N 3.41Å; F82-T85 PolarHBondContact O-OG1 2.97Å; Q83-T85 PolarHBondContact O-N 2.81Å; T85-G87 WeakPolarHBondContact CG2-O 3.4Å; T85-L116 HydrophobicContact CG2-CD2 3.86Å; T85-A119 HydrophobicContact CG2-CB 4.45Å
86	Q	92.8	Very high	93	Very high	70 Å²	70	42 Å²	42	33%	0.327	20%	0.204	S	C	.	.			trans	-94.8	-27.8	-179.9	-65.9	140	-49.4	0	0	111.8	M18 R19 N84 A119 V120 L177	M18-Q86 VanDerWaalsContact CA-OE1 3.23Å; M18-Q86 HydrophobicContact SD-CB 4.46Å; M18-Q86 HydrophobicContact SD-CG 4.49Å; M18-Q86 PolarHBondContact SD-NE2 2.89Å; M18-Q86 VanDerWaalsContact SD-NE2 3.45Å; R19-Q86 PolarHBondContact O-N 2.82Å; N84-Q86 PolarHBondContact O-N 2.98Å; Q86-A119 WeakPolarHBondContact O-CA 3.39Å; Q86-V120 PolarHBondContact O-N 3.03Å; Q86-L177 HydrophobicContact CB-CD2 4.05Å; Q86-L177 VanDerWaalsContact O-CD2 3.28Å; Q86-L177 WeakPolarHBondContact O-CD2 3.3Å
87	G	94.1	Very high	93.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143.3	176.1	0	0	0	0	0	111.8	R19 I20 L21 T85 V120	R19-G87 PolarHBondContact O-N 2.63Å; I20-G87 VanDerWaalsContact CA-O 3.28Å; I20-G87 WeakPolarHBondContact CA-O 3.31Å; L21-G87 PolarHBondContact N-O 3.38Å; T85-G87 WeakPolarHBondContact CG2-O 3.4Å; G87-V120 CarbonylContact C-O 3.55Å; G87-V120 WeakPolarHBondContact CA-O 3.32Å
88	L	95.7	Very high	94.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120	177.8	173.4	62.7	0	0	0	108	L21 V23 M110 L111 L116 A119 V120 L121 L122	L21-L88 HydrophobicContact CB-CD1 4.15Å; L21-L88 HydrophobicContact CD2-CD1 4.26Å; L21-L88 HydrophobicContact CG-CD1 4.15Å; L21-L88 CarbonylContact O-C 3.6Å; L21-L88 WeakPolarHBondContact O-CA 3.29Å; V23-L88 HydrophobicContact CG2-CD1 3.43Å; V23-L88 VanDerWaalsContact CG2-CD1 3.43Å; L88-M110 HydrophobicContact CD1-CE 3.75Å; L88-M110 HydrophobicContact CD2-CE 4.27Å; L88-L111 HydrophobicContact CD2-CD2 3.63Å; L88-L116 HydrophobicContact CD2-CD1 4.41Å; L88-A119 HydrophobicContact CB-CB 4.4Å; L88-V120 PolarHBondContact N-O 2.84Å; L88-L121 HydrophobicContact CB-CD1 4.42Å; L88-L121 HydrophobicContact CD2-CD1 3.95Å; L88-L121 HydrophobicContact CG-CD1 4Å; L88-L121 CarbonylContact O-C 3.55Å; L88-L121 WeakPolarHBondContact O-CA 3.34Å; L88-L122 PolarHBondContact O-N 2.79Å
89	I	97	Very high	94.5	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.5	168.6	-59.2	177.9	0	0	0	107.6	I20 L21 M22 V23 V91 L122 F124 L170 L173	I20-I89 HydrophobicContact CG2-CD1 3.7Å; I20-I89 HydrophobicContact CG2-CG1 3.69Å; L21-I89 PolarHBondContact O-N 3.15Å; M22-I89 WeakPolarHBondContact CA-O 3.34Å; M22-I89 HydrophobicContact CB-CB 4.32Å; M22-I89 HydrophobicContact CE-CB 4.44Å; M22-I89 HydrophobicContact CE-CD1 3.89Å; M22-I89 HydrophobicContact CE-CG2 4.21Å; M22-I89 HydrophobicContact CG-CB 4.12Å; M22-I89 HydrophobicContact CG-CG2 4.06Å; V23-I89 PolarHBondContact N-O 2.9Å; I89-V91 HydrophobicContact CG2-CG2 4.05Å; I89-L122 CarbonylContact C-O 3.48Å; I89-L122 VanDerWaalsContact CA-O 3.26Å; I89-L122 WeakPolarHBondContact CA-O 3.39Å; I89-L122 HydrophobicContact CD1-CD2 4.38Å; I89-L122 HydrophobicContact CG1-CB 4.3Å; I89-L122 HydrophobicContact CG1-CD2 4.19Å; I89-F124 HydrophobicContact CD1-CE2 4.33Å; I89-F124 HydrophobicContact CG2-CD2 3.36Å; I89-F124 HydrophobicContact CG2-CE2 3.64Å; I89-F124 HydrophobicContact CG2-CG 4.28Å; I89-L170 HydrophobicContact CD1-CD2 3.96Å; I89-L173 HydrophobicContact CD1-CD2 3.98Å; I89-L173 HydrophobicContact CG1-CD2 3.91Å
90	F	97.6	Very high	95	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.2	174.6	-162.8	-96.1	0	0	0	109.9	V23 V92 A103 L107 M110 L121 L122 V123 F124	V23-F90 HydrophobicContact CG2-CD2 3.88Å; V23-F90 HydrophobicContact CG2-CE2 4.43Å; V23-F90 CarbonylContact O-C 3.55Å; V23-F90 WeakPolarHBondContact O-CA 3.26Å; F90-V92 HydrophobicContact CD1-CG2 3.68Å; F90-V92 HydrophobicContact CE1-CG2 3.75Å; F90-A103 HydrophobicContact CE1-CB 4.18Å; F90-A103 HydrophobicContact CZ-CB 4.44Å; F90-A103 VanDerWaalsContact CZ-O 3.23Å; F90-A103 WeakPolarHBondContact CZ-O 3.45Å; F90-L107 HydrophobicContact CB-CD1 4.04Å; F90-L107 HydrophobicContact CD1-CB 4.29Å; F90-L107 HydrophobicContact CD1-CD1 4.27Å; F90-L107 HydrophobicContact CD1-CD2 4.28Å; F90-L107 HydrophobicContact CD2-CB 4.27Å; F90-L107 HydrophobicContact CD2-CD1 3.76Å; F90-L107 HydrophobicContact CE1-CB 3.95Å; F90-L107 HydrophobicContact CE2-CB 3.94Å; F90-L107 HydrophobicContact CE2-CD1 4.27Å; F90-L107 HydrophobicContact CG-CB 4.44Å; F90-L107 HydrophobicContact CG-CD1 3.76Å; F90-L107 HydrophobicContact CG-CG 4.47Å; F90-L107 HydrophobicContact CZ-CB 3.77Å; F90-M110 HydrophobicContact CE2-SD 4.32Å; F90-L121 HydrophobicContact CB-CD1 4.06Å; F90-L122 PolarHBondContact N-O 3.39Å; F90-V123 HydrophobicContact CB-CG2 4.5Å; F90-V123 CarbonylContact O-C 3.59Å; F90-V123 VanDerWaalsContact O-CA 3.29Å; F90-V123 WeakPolarHBondContact O-CA 3.49Å; F90-F124 PolarHBondContact O-N 3.36Å
91	V	98.2	Very high	95.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.2	-176.1	-169.5	0	0	0	0	109.5	M22 V23 G24 A28 K30 I33 I89 F124 N126	M22-V91 HydrophobicContact CG-CG2 3.82Å; M22-V91 HydrophobicContact SD-CG2 4.1Å; V23-V91 PolarHBondContact O-N 2.99Å; G24-V91 WeakPolarHBondContact CA-O 3.35Å; A28-V91 HydrophobicContact CB-CB 4.27Å; A28-V91 HydrophobicContact CB-CG1 4.07Å; A28-V91 WeakPolarHBondContact CB-O 3.41Å; A28-V91 WeakPolarHBondContact O-CG1 3.34Å; K30-V91 HydrophobicContact CG-CB 3.86Å; K30-V91 HydrophobicContact CG-CG1 4.49Å; K30-V91 HydrophobicContact CG-CG2 3.82Å; I33-V91 HydrophobicContact CD1-CG1 3.74Å; I33-V91 HydrophobicContact CD1-CG2 3.97Å; I89-V91 HydrophobicContact CG2-CG2 4.05Å; V91-F124 HydrophobicContact CG1-CB 4.34Å; V91-F124 HydrophobicContact CG2-CB 4.42Å; V91-F124 HydrophobicContact CG2-CD2 4.36Å; V91-N126 HydrophobicContact CG1-CB 3.84Å
92	V	98.4	Very high	95.9	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.024	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.6	178.9	-179.1	0	0	0	0	109.3	F90 S94 V100 V123 F124 N126 I139 L143	F90-V92 HydrophobicContact CD1-CG2 3.68Å; F90-V92 HydrophobicContact CE1-CG2 3.75Å; V92-S94 PolarHBondContact O-N 3.46Å; V92-V100 HydrophobicContact CG1-CG2 4.46Å; V92-V123 HydrophobicContact CG2-CG1 4.25Å; V92-F124 PolarHBondContact N-O 3.46Å; V92-N126 WeakPolarHBondContact O-CB 3.43Å; V92-N126 PolarHBondContact O-N 2.99Å; V92-I139 HydrophobicContact CG1-CD1 4.48Å; V92-I139 HydrophobicContact CG1-CG2 4.49Å; V92-L143 HydrophobicContact CG2-CD1 4.02Å; V92-L143 HydrophobicContact CG2-CD2 4.47Å
93	D	98.3	Very high	96.2	Very high	22 Å²	22	44.8 Å²	44.8	12%	0.118	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	107.8	165.1	-173.2	-20.5	0	0	0	108.7	N95 D96 K127	D93-N95 PolarHBondContact O-N 3.14Å; D93-N95 WeakPolarHBondContact OD1-CB 3.5Å; D93-N95 PolarHBondContact OD1-N 3.35Å; D93-D96 HydrophobicContact CB-CB 3.76Å; D93-D96 PolarHBondContact O-N 3.14Å; D93-D96 PolarHBondContact OD1-N 3.1Å; D93-K127 WeakPolarHBondContact OD1-CD 3.4Å; D93-K127 IonicContact OD1-NZ 2.91Å; D93-K127 VanDerWaalsContact OD2-CE 3.28Å; D93-K127 WeakPolarHBondContact OD2-CE 3.47Å; D93-K127 IonicContact OD2-NZ 3.57Å; D93-K127 PolarHBondContact OD2-NZ 3.46Å
94	S	98.8	Very high	96.6	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-21.5	-177.9	-53.1	0	0	0	0	112.6	V92 A125 N126 Q128 A133 M134 I139	V92-S94 PolarHBondContact O-N 3.46Å; S94-A125 PolarHBondContact OG-O 2.96Å; S94-N126 WeakPolarHBondContact CB-O 3.05Å; S94-N126 PolarHBondContact N-O 2.97Å; S94-N126 PolarHBondContact OG-N 3.17Å; S94-N126 PolarHBondContact OG-O 3.48Å; S94-Q128 PolarHBondContact OG-NE2 3.16Å; S94-A133 CarbonylContact O-C 3.6Å; S94-A133 WeakPolarHBondContact O-CA 3.35Å; S94-M134 WeakPolarHBondContact CB-O 3.08Å; S94-M134 WeakPolarHBondContact O-CE 3.45Å; S94-M134 WeakPolarHBondContact O-CG 3.09Å; S94-M134 PolarHBondContact O-N 3.45Å; S94-I139 VanDerWaalsContact OG-CD1 3.24Å; S94-I139 WeakPolarHBondContact OG-CD1 3.45Å
95	N	98.4	Very high	97	Very high	53 Å²	53	43.8 Å²	43.8	28%	0.283	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-13.6	-179.6	-163.1	75.7	0	0	0	112.2	D93 R97 L130 N132 A133	D93-N95 PolarHBondContact O-N 3.14Å; D93-N95 WeakPolarHBondContact OD1-CB 3.5Å; D93-N95 PolarHBondContact OD1-N 3.35Å; N95-R97 PolarHBondContact O-N 3.23Å; N95-R97 VanDerWaalsContact O-N 3.14Å; N95-L130 HydrophobicContact CB-CB 3.95Å; N95-L130 HydrophobicContact CB-CD1 3.54Å; N95-L130 HydrophobicContact CB-CG 4.39Å; N95-L130 WeakPolarHBondContact OD1-CB 3.03Å; N95-N132 WeakPolarHBondContact OD1-CA 3.38Å; N95-N132 WeakPolarHBondContact OD1-CB 3.45Å; N95-N132 PolarHBondContact OD1-N 3.16Å; N95-A133 PolarHBondContact OD1-N 3Å
96	D	98	Very high	97.1	Very high	32 Å²	32	44.4 Å²	44.4	17%	0.171	20%	0.202	C	C	.	.			trans	-86.8	75.4	176.1	-163.7	-24.2	0	0	0	111.4	D93 E98 R99 V100	D93-D96 HydrophobicContact CB-CB 3.76Å; D93-D96 PolarHBondContact O-N 3.14Å; D93-D96 PolarHBondContact OD1-N 3.1Å; D96-E98 PolarHBondContact O-N 2.97Å; D96-E98 PolarHBondContact OD1-N 3.36Å; D96-R99 PolarHBondContact OD1-N 2.84Å; D96-R99 IonicContact OD1-NE 2.68Å; D96-R99 IonicContact OD2-CZ 3.73Å; D96-R99 IonicContact OD2-NE 2.71Å; D96-R99 PolarHBondContact OD2-NE 2.95Å; D96-R99 IonicContact OD2-NH2 2.99Å; D96-R99 PolarHBondContact OD2-NH2 3.34Å; D96-V100 PolarHBondContact O-N 2.87Å
97	R	98.1	Very high	97.3	Very high	113 Å²	113	41 Å²	41	43%	0.426	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-22.7	-179.9	-70.6	176.5	164	-84.7	-6.3	113.3	N95 N132 M134 E138	N95-R97 PolarHBondContact O-N 3.23Å; N95-R97 VanDerWaalsContact O-N 3.14Å; R97-N132 PolarHBondContact NE-O 2.88Å; R97-M134 HydrophobicContact CG-CE 4.18Å; R97-M134 HydrophobicContact CG-CG 3.84Å; R97-M134 HydrophobicContact CG-SD 3.98Å; R97-E138 IonicContact CZ-OE1 2.97Å; R97-E138 IonicContact CZ-OE2 3.68Å; R97-E138 IonicContact NH1-OE1 3.9Å; R97-E138 PolarHBondContact NH1-OE1 2.9Å; R97-E138 IonicContact NH1-OE2 2.57Å; R97-E138 IonicContact NH2-OE1 2.73Å; R97-E138 PolarHBondContact NH2-OE1 3.03Å; R97-E138 IonicContact NH2-OE2 3.97Å; R97-E138 PolarHBondContact NH2-OE2 3.22Å
98	E	97.5	Very high	97.4	Very high	179 Å²	179	43.4 Å²	43.4	84%	0.836	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-42.1	-177.9	-64.8	-177	176.2	0	0	111.3	D96	D96-E98 PolarHBondContact O-N 2.97Å; D96-E98 PolarHBondContact OD1-N 3.36Å
99	R	97.3	Very high	97.4	Very high	68 Å²	68	50.4 Å²	50.4	26%	0.257	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	5.1	-176.4	-62.1	-169.1	-66.4	165.4	2.8	114.9	L25 D26 D96 N101 E102 A103	L25-R99 HydrophobicContact CD1-CB 3.85Å; D26-R99 IonicContact OD1-NH1 2.79Å; D26-R99 PolarHBondContact OD1-NH1 2.87Å; D26-R99 VanDerWaalsContact OD1-NH1 3.16Å; D26-R99 IonicContact OD2-CZ 3.77Å; D26-R99 IonicContact OD2-NH1 3.59Å; D26-R99 PolarHBondContact OD2-NH1 2.89Å; D26-R99 IonicContact OD2-NH2 3.91Å; D96-R99 PolarHBondContact OD1-N 2.84Å; D96-R99 IonicContact OD1-NE 2.68Å; D96-R99 IonicContact OD2-CZ 3.73Å; D96-R99 IonicContact OD2-NE 2.71Å; D96-R99 PolarHBondContact OD2-NE 2.95Å; D96-R99 IonicContact OD2-NH2 2.99Å; D96-R99 PolarHBondContact OD2-NH2 3.34Å; R99-N101 VanDerWaalsContact C-N 3.26Å; R99-N101 PolarHBondContact O-N 2.81Å; R99-E102 WeakPolarHBondContact O-CB 3.25Å; R99-E102 PolarHBondContact O-N 2.95Å; R99-E102 VanDerWaalsContact O-N 3.13Å; R99-A103 PolarHBondContact O-N 3.3Å
100	V	98.1	Very high	97.2	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-61.8	-32.6	178.6	74.5	0	0	0	0	113.3	V92 D96 A103 R104 M134 K142 L143	V92-V100 HydrophobicContact CG1-CG2 4.46Å; D96-V100 PolarHBondContact O-N 2.87Å; V100-A103 WeakPolarHBondContact O-CB 3.31Å; V100-A103 PolarHBondContact O-N 2.88Å; V100-R104 PolarHBondContact O-N 3.03Å; V100-M134 HydrophobicContact CB-CE 3.9Å; V100-M134 HydrophobicContact CB-SD 4.25Å; V100-M134 HydrophobicContact CG1-CE 4.49Å; V100-M134 HydrophobicContact CG1-SD 4.25Å; V100-M134 HydrophobicContact CG2-CE 3.86Å; V100-M134 HydrophobicContact CG2-SD 4.12Å; V100-K142 HydrophobicContact CG1-CB 4.23Å; V100-K142 HydrophobicContact CG1-CD 4.06Å; V100-K142 HydrophobicContact CG1-CG 4.23Å; V100-K142 HydrophobicContact CG2-CB 3.83Å; V100-K142 HydrophobicContact CG2-CG 4.44Å; V100-L143 HydrophobicContact CG2-CD2 4.47Å
101	N	97.4	Very high	97.1	Very high	83 Å²	83	51.4 Å²	51.4	44%	0.444	23%	0.23	S	C	.	.	H	α-helix	trans	-70.4	-38.6	176	-67.5	-34	0	0	0	111.4	R99 A103 R104 E105	R99-N101 VanDerWaalsContact C-N 3.26Å; R99-N101 PolarHBondContact O-N 2.81Å; N101-A103 VanDerWaalsContact C-N 3.33Å; N101-R104 WeakPolarHBondContact O-CB 3.41Å; N101-R104 PolarHBondContact O-N 3.49Å; N101-E105 WeakPolarHBondContact O-CG 3.49Å; N101-E105 PolarHBondContact O-N 3.21Å
102	E	97	Very high	97	Very high	49 Å²	49	55.1 Å²	55.1	23%	0.229	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-42.2	172.4	-179	-177.4	-173.3	0	0	110.8	L25 R75 R99 R104 E105 E106	L25-E102 HydrophobicContact CD1-CB 4.25Å; L25-E102 HydrophobicContact CD1-CG 4.16Å; L25-E102 HydrophobicContact CD2-CG 4.45Å; R75-E102 IonicContact CZ-OE1 3.77Å; R75-E102 IonicContact NH1-OE1 3.71Å; R75-E102 PolarHBondContact NH1-OE1 2.79Å; R75-E102 IonicContact NH2-OE1 3.18Å; R75-E102 PolarHBondContact NH2-OE1 3.36Å; R99-E102 WeakPolarHBondContact O-CB 3.25Å; R99-E102 PolarHBondContact O-N 2.95Å; R99-E102 VanDerWaalsContact O-N 3.13Å; E102-R104 VanDerWaalsContact C-N 3.28Å; E102-R104 PolarHBondContact O-N 2.87Å; E102-E105 PolarHBondContact O-N 2.94Å; E102-E105 VanDerWaalsContact O-N 3.14Å; E102-E106 PolarHBondContact O-N 3.23Å
103	A	97.2	Very high	96.9	Very high	4 Å²	4	58.3 Å²	58.3	3%	0.033	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-39.3	174.4	0	0	0	0	0	111.7	L25 F90 R99 V100 N101 L107 L143	L25-A103 HydrophobicContact CD1-CB 3.87Å; L25-A103 HydrophobicContact CG-CB 3.93Å; F90-A103 HydrophobicContact CE1-CB 4.18Å; F90-A103 HydrophobicContact CZ-CB 4.44Å; F90-A103 VanDerWaalsContact CZ-O 3.23Å; F90-A103 WeakPolarHBondContact CZ-O 3.45Å; R99-A103 PolarHBondContact O-N 3.3Å; V100-A103 WeakPolarHBondContact O-CB 3.31Å; V100-A103 PolarHBondContact O-N 2.88Å; N101-A103 VanDerWaalsContact C-N 3.33Å; A103-L107 WeakPolarHBondContact O-CB 3.15Å; A103-L107 PolarHBondContact O-N 2.8Å; A103-L143 HydrophobicContact CB-CD2 4.43Å
104	R	98.1	Very high	96.7	Very high	107 Å²	107	62.3 Å²	62.3	40%	0.404	30%	0.296	S	S	.	.	H	α-helix	trans	-60.9	-48.5	172	169.9	177.8	167.2	167.7	1.1	111.7	V100 N101 E102 E106 L107 M108 K142 L143	V100-R104 PolarHBondContact O-N 3.03Å; N101-R104 WeakPolarHBondContact O-CB 3.41Å; N101-R104 PolarHBondContact O-N 3.49Å; E102-R104 VanDerWaalsContact C-N 3.28Å; E102-R104 PolarHBondContact O-N 2.87Å; R104-E106 VanDerWaalsContact C-N 3.32Å; R104-E106 PolarHBondContact O-N 2.86Å; R104-L107 PolarHBondContact O-N 3.08Å; R104-M108 HydrophobicContact CG-CG 4.11Å; R104-M108 WeakPolarHBondContact O-CB 3.5Å; R104-M108 VanDerWaalsContact O-CG 3.25Å; R104-M108 WeakPolarHBondContact O-CG 3.38Å; R104-M108 PolarHBondContact O-N 3.15Å; R104-K142 WeakPolarHBondContact CD-O 3.39Å; R104-L143 HydrophobicContact CB-CD2 3.98Å
105	E	96.8	Very high	96.5	Very high	124 Å²	124	66.7 Å²	66.7	58%	0.579	32%	0.317	S	S	*	.	H	α-helix	trans	-59.9	-44.8	-178.2	-73.4	176.8	-168.5	0	0	111.4	N101 E102 M108 R109	N101-E105 WeakPolarHBondContact O-CG 3.49Å; N101-E105 PolarHBondContact O-N 3.21Å; E102-E105 PolarHBondContact O-N 2.94Å; E102-E105 VanDerWaalsContact O-N 3.14Å; E105-M108 PolarHBondContact O-N 3.02Å; E105-R109 VanDerWaalsContact O-CB 3.27Å; E105-R109 WeakPolarHBondContact O-CB 3.45Å; E105-R109 PolarHBondContact O-N 3.4Å
106	E	95.1	Very high	96.4	Very high	20 Å²	20	64.1 Å²	64.1	9%	0.093	30%	0.303	C	S	.	.	H	α-helix	trans	-65.6	-43.8	176.2	-67.3	-62.2	169.8	0	0	112	L25 R75 W78 E102 R104 M108 R109 M110	L25-E106 HydrophobicContact CD2-CG 4.11Å; R75-E106 VanDerWaalsContact CD-OE1 3.31Å; R75-E106 WeakPolarHBondContact CD-OE1 3.42Å; R75-E106 IonicContact CZ-OE1 2.69Å; R75-E106 IonicContact NH1-OE1 3.65Å; R75-E106 PolarHBondContact NH1-OE1 2.81Å; W78-E106 HydrophobicContact CZ3-CB 4.1Å; E102-E106 PolarHBondContact O-N 3.23Å; R104-E106 VanDerWaalsContact C-N 3.32Å; R104-E106 PolarHBondContact O-N 2.86Å; E106-M108 PolarHBondContact O-N 3.05Å; E106-R109 PolarHBondContact O-N 2.93Å; E106-R109 IonicContact OE1-NH1 3.96Å; E106-R109 IonicContact OE2-NH1 3.63Å; E106-M110 VanDerWaalsContact O-CG 3.28Å; E106-M110 WeakPolarHBondContact O-CG 3.24Å; E106-M110 PolarHBondContact O-N 2.71Å
107	L	96.7	Very high	96.2	Very high	0 Å²	0	70 Å²	70	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-57.8	-51.6	174.8	176.8	60.5	0	0	0	110.7	F90 A103 R104 R109 M110 L111 L121 L143 L145	F90-L107 HydrophobicContact CB-CD1 4.04Å; F90-L107 HydrophobicContact CD1-CB 4.29Å; F90-L107 HydrophobicContact CD1-CD1 4.27Å; F90-L107 HydrophobicContact CD1-CD2 4.28Å; F90-L107 HydrophobicContact CD2-CB 4.27Å; F90-L107 HydrophobicContact CD2-CD1 3.76Å; F90-L107 HydrophobicContact CE1-CB 3.95Å; F90-L107 HydrophobicContact CE2-CB 3.94Å; F90-L107 HydrophobicContact CE2-CD1 4.27Å; F90-L107 HydrophobicContact CG-CB 4.44Å; F90-L107 HydrophobicContact CG-CD1 3.76Å; F90-L107 HydrophobicContact CG-CG 4.47Å; F90-L107 HydrophobicContact CZ-CB 3.77Å; A103-L107 WeakPolarHBondContact O-CB 3.15Å; A103-L107 PolarHBondContact O-N 2.8Å; R104-L107 PolarHBondContact O-N 3.08Å; L107-R109 VanDerWaalsContact C-N 3.31Å; L107-R109 PolarHBondContact O-N 3.14Å; L107-M110 WeakPolarHBondContact O-CB 3.49Å; L107-M110 PolarHBondContact O-N 3.33Å; L107-M110 VanDerWaalsContact O-N 3.17Å; L107-L111 HydrophobicContact CD1-CD1 3.78Å; L107-L111 HydrophobicContact CD1-CD2 4.11Å; L107-L111 HydrophobicContact CD1-CG 3.81Å; L107-L111 HydrophobicContact CD2-CD1 4.49Å; L107-L111 HydrophobicContact CG-CD1 3.85Å; L107-L111 HydrophobicContact CG-CG 4.22Å; L107-L111 VanDerWaalsContact O-CG 3.25Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 3.48Å; L107-L121 HydrophobicContact CD1-CD1 4.02Å; L107-L121 HydrophobicContact CD1-CD2 4.32Å; L107-L143 HydrophobicContact CD2-CB 4.48Å; L107-L143 HydrophobicContact CD2-CD1 4.18Å; L107-L145 HydrophobicContact CD2-CD2 3.88Å
108	M	96.7	Very high	96	Very high	50 Å²	50	70.1 Å²	70.1	25%	0.246	33%	0.332	C	S	.	.	H	α-helix	trans	-63.3	-38.3	-178.2	-68.7	-64.3	170.1	0	0	111.9	R104 E105 E106 L111 A112 L143 L148	R104-M108 HydrophobicContact CG-CG 4.11Å; R104-M108 WeakPolarHBondContact O-CB 3.5Å; R104-M108 VanDerWaalsContact O-CG 3.25Å; R104-M108 WeakPolarHBondContact O-CG 3.38Å; R104-M108 PolarHBondContact O-N 3.15Å; E105-M108 PolarHBondContact O-N 3.02Å; E106-M108 PolarHBondContact O-N 3.05Å; M108-L111 PolarHBondContact O-N 3.48Å; M108-A112 PolarHBondContact O-N 3.01Å; M108-L143 WeakPolarHBondContact CE-O 3.1Å; M108-L148 HydrophobicContact CE-CD2 4.24Å; M108-L148 HydrophobicContact SD-CD2 4.11Å
109	R	94.6	Very high	95.8	Very high	146 Å²	146	61.7 Å²	61.7	55%	0.551	29%	0.294	S	S	*	.	H	α-helix	trans	-59.8	-47	173.5	-176.1	-177.2	-65.9	174.2	0.2	111.2	E105 E106 L107 A112	E105-R109 VanDerWaalsContact O-CB 3.27Å; E105-R109 WeakPolarHBondContact O-CB 3.45Å; E105-R109 PolarHBondContact O-N 3.4Å; E106-R109 PolarHBondContact O-N 2.93Å; E106-R109 IonicContact OE1-NH1 3.96Å; E106-R109 IonicContact OE2-NH1 3.63Å; L107-R109 VanDerWaalsContact C-N 3.31Å; L107-R109 PolarHBondContact O-N 3.14Å; R109-A112 PolarHBondContact O-N 2.68Å
110	M	94	Very high	95.8	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-44.7	177.4	-69.9	-178.6	64.7	0	0	112.7	L21 V23 W78 F82 L88 F90 E106 L107 A112 E113 L116	L21-M110 HydrophobicContact CD2-CE 4.03Å; V23-M110 HydrophobicContact CB-CE 4.27Å; V23-M110 HydrophobicContact CB-SD 4.35Å; V23-M110 HydrophobicContact CG1-CE 4.34Å; V23-M110 HydrophobicContact CG2-CE 3.39Å; V23-M110 HydrophobicContact CG2-SD 3.67Å; W78-M110 HydrophobicContact CD2-SD 4.38Å; W78-M110 HydrophobicContact CE3-CE 4.3Å; W78-M110 HydrophobicContact CE3-CG 3.99Å; W78-M110 HydrophobicContact CE3-SD 3.28Å; W78-M110 HydrophobicContact CZ3-CG 4.31Å; W78-M110 HydrophobicContact CZ3-SD 3.44Å; W78-M110 WeakPolarHBondContact CZ3-SD 3.49Å; F82-M110 HydrophobicContact CD1-CE 4.5Å; F82-M110 HydrophobicContact CE1-CE 3.55Å; F82-M110 HydrophobicContact CZ-CB 4.48Å; F82-M110 HydrophobicContact CZ-CE 3.93Å; F82-M110 HydrophobicContact CZ-CG 4.02Å; L88-M110 HydrophobicContact CD1-CE 3.75Å; L88-M110 HydrophobicContact CD2-CE 4.27Å; F90-M110 HydrophobicContact CE2-SD 4.32Å; E106-M110 VanDerWaalsContact O-CG 3.28Å; E106-M110 WeakPolarHBondContact O-CG 3.24Å; E106-M110 PolarHBondContact O-N 2.71Å; L107-M110 WeakPolarHBondContact O-CB 3.49Å; L107-M110 PolarHBondContact O-N 3.33Å; L107-M110 VanDerWaalsContact O-N 3.17Å; M110-A112 PolarHBondContact O-N 2.96Å; M110-E113 WeakPolarHBondContact O-CB 3.48Å; M110-E113 PolarHBondContact O-N 3.07Å; M110-E113 VanDerWaalsContact O-N 3.07Å; M110-L116 HydrophobicContact CB-CD1 4.16Å; M110-L116 HydrophobicContact CE-CD1 3.99Å; M110-L116 WeakPolarHBondContact O-CD1 3.47Å
111	L	95.5	Very high	95.8	Very high	19 Å²	19	58.4 Å²	58.4	10%	0.099	28%	0.281	C	S	.	.	H	α-helix	trans	-68.6	-14	-177.2	-62.7	179.8	0	0	0	113.3	L88 L107 M108 E113 L121 L148 R151	L88-L111 HydrophobicContact CD2-CD2 3.63Å; L107-L111 HydrophobicContact CD1-CD1 3.78Å; L107-L111 HydrophobicContact CD1-CD2 4.11Å; L107-L111 HydrophobicContact CD1-CG 3.81Å; L107-L111 HydrophobicContact CD2-CD1 4.49Å; L107-L111 HydrophobicContact CG-CD1 3.85Å; L107-L111 HydrophobicContact CG-CG 4.22Å; L107-L111 VanDerWaalsContact O-CG 3.25Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 3.48Å; M108-L111 PolarHBondContact O-N 3.48Å; L111-E113 VanDerWaalsContact C-N 3.35Å; L111-L121 HydrophobicContact CD1-CD2 3.91Å; L111-L121 HydrophobicContact CD2-CD2 4.32Å; L111-L148 HydrophobicContact CD1-CD1 3.64Å; L111-L148 HydrophobicContact CD1-CD2 3.74Å; L111-L148 HydrophobicContact CD1-CG 4.36Å; L111-R151 PolarHBondContact O-NH2 3.4Å
112	A	95	Very high	95.8	Very high	77 Å²	77	54.5 Å²	54.5	64%	0.636	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-11.5	173.6	0	0	0	0	0	113.6	M108 R109 M110	M108-A112 PolarHBondContact O-N 3.01Å; R109-A112 PolarHBondContact O-N 2.68Å; M110-A112 PolarHBondContact O-N 2.96Å
113	E	95.5	Very high	95.9	Very high	71 Å²	71	52.1 Å²	52.1	33%	0.332	25%	0.249	S	C	.	.	S	Bend	trans	-78.8	134.2	-178.9	-60.9	-84.6	-174.1	0	0	110.4	F82 M110 L111 E115 L116 R117	F82-E113 HydrophobicContact CD2-CB 3.88Å; F82-E113 HydrophobicContact CD2-CG 4.04Å; F82-E113 HydrophobicContact CE2-CB 4.01Å; F82-E113 HydrophobicContact CE2-CG 3.66Å; M110-E113 WeakPolarHBondContact O-CB 3.48Å; M110-E113 PolarHBondContact O-N 3.07Å; M110-E113 VanDerWaalsContact O-N 3.07Å; L111-E113 VanDerWaalsContact C-N 3.35Å; E113-E115 VanDerWaalsContact C-N 3.29Å; E113-E115 PolarHBondContact O-N 3.39Å; E113-L116 PolarHBondContact O-N 3.43Å; E113-R117 PolarHBondContact O-N 2.99Å
114	D	94.8	Very high	96	Very high	106 Å²	106	52 Å²	52	57%	0.567	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-64.5	-35	-171.8	-83.7	-18.7	0	0	0	112.2	L116 R117	D114-L116 PolarHBondContact O-N 3.01Å; D114-R117 WeakPolarHBondContact O-CB 3.43Å; D114-R117 PolarHBondContact O-N 3.13Å; D114-R117 IonicContact OD1-CZ 3.46Å; D114-R117 IonicContact OD1-NE 2.7Å; D114-R117 IonicContact OD1-NH2 2.66Å; D114-R117 PolarHBondContact OD1-NH2 3.27Å; D114-R117 IonicContact OD2-NH2 3.49Å; D114-R117 PolarHBondContact OD2-NH2 3.4Å
115	E	95.5	Very high	96	Very high	92 Å²	92	46.9 Å²	46.9	43%	0.43	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-62.1	-24.5	176.1	-63.8	92.2	152.3	0	0	112.7	F82 Q83 E113	F82-E115 HydrophobicContact CB-CB 3.65Å; F82-E115 HydrophobicContact CB-CG 4.44Å; Q83-E115 HydrophobicContact CG-CG 4.22Å; E113-E115 VanDerWaalsContact C-N 3.29Å; E113-E115 PolarHBondContact O-N 3.39Å
116	L	95.1	Very high	96.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-100	2.2	177.5	-66	-176.8	0	0	0	112.8	F82 T85 L88 M110 E113 D114 D118 A119 R151	F82-L116 HydrophobicContact CB-CD1 4.47Å; F82-L116 HydrophobicContact CB-CD2 3.94Å; F82-L116 HydrophobicContact CB-CG 3.89Å; F82-L116 HydrophobicContact CD1-CD1 3.7Å; F82-L116 HydrophobicContact CD1-CD2 4.17Å; F82-L116 HydrophobicContact CD1-CG 4.06Å; F82-L116 HydrophobicContact CD2-CD1 4.05Å; F82-L116 HydrophobicContact CD2-CG 4.15Å; F82-L116 HydrophobicContact CE1-CD1 3.88Å; F82-L116 HydrophobicContact CE2-CD1 4.23Å; F82-L116 HydrophobicContact CG-CD1 3.81Å; F82-L116 HydrophobicContact CG-CD2 4.12Å; F82-L116 HydrophobicContact CG-CG 3.76Å; F82-L116 HydrophobicContact CZ-CD1 4.14Å; T85-L116 HydrophobicContact CG2-CD2 3.86Å; L88-L116 HydrophobicContact CD2-CD1 4.41Å; M110-L116 HydrophobicContact CB-CD1 4.16Å; M110-L116 HydrophobicContact CE-CD1 3.99Å; M110-L116 WeakPolarHBondContact O-CD1 3.47Å; E113-L116 PolarHBondContact O-N 3.43Å; D114-L116 PolarHBondContact O-N 3.01Å; L116-D118 PolarHBondContact O-N 3.42Å; L116-D118 VanDerWaalsContact O-N 3.13Å; L116-A119 HydrophobicContact CB-CB 4.41Å; L116-A119 HydrophobicContact CD2-CB 4.12Å; L116-A119 WeakPolarHBondContact O-CB 3.06Å; L116-A119 PolarHBondContact O-N 2.91Å; L116-R151 PolarHBondContact O-NH1 3.32Å; L116-R151 PolarHBondContact O-NH2 3.29Å
117	R	94.1	Very high	96.3	Very high	154 Å²	154	42.4 Å²	42.4	58%	0.581	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-41.8	-176	-174.4	-177	-65	176.2	-1.1	112.7	E113 D114	E113-R117 PolarHBondContact O-N 2.99Å; D114-R117 WeakPolarHBondContact O-CB 3.43Å; D114-R117 PolarHBondContact O-N 3.13Å; D114-R117 IonicContact OD1-CZ 3.46Å; D114-R117 IonicContact OD1-NE 2.7Å; D114-R117 IonicContact OD1-NH2 2.66Å; D114-R117 PolarHBondContact OD1-NH2 3.27Å; D114-R117 IonicContact OD2-NH2 3.49Å; D114-R117 PolarHBondContact OD2-NH2 3.4Å
118	D	93.1	Very high	96.4	Very high	116 Å²	116	45.4 Å²	45.4	62%	0.62	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	0.1	-178.9	-71.2	-51.8	0	0	0	114.2	L116 V120 K180	L116-D118 PolarHBondContact O-N 3.42Å; L116-D118 VanDerWaalsContact O-N 3.13Å; D118-V120 PolarHBondContact O-N 2.88Å; D118-K180 PolarHBondContact O-NZ 3.24Å; D118-K180 IonicContact OD1-NZ 3.5Å
119	A	95.1	Very high	96.4	Very high	3 Å²	3	47.5 Å²	47.5	3%	0.025	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-68.4	131.2	-179.7	0	0	0	0	0	111.5	T85 Q86 L88 L116 R151	T85-A119 HydrophobicContact CG2-CB 4.45Å; Q86-A119 WeakPolarHBondContact O-CA 3.39Å; L88-A119 HydrophobicContact CB-CB 4.4Å; L116-A119 HydrophobicContact CB-CB 4.41Å; L116-A119 HydrophobicContact CD2-CB 4.12Å; L116-A119 WeakPolarHBondContact O-CB 3.06Å; L116-A119 PolarHBondContact O-N 2.91Å; A119-R151 PolarHBondContact O-NH1 3.14Å
120	V	96.2	Very high	96.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	131.5	170.4	179.7	0	0	0	0	108.7	Q86 G87 L88 D118 N152 W172 L173 Q176 L177 K180	Q86-V120 PolarHBondContact O-N 3.03Å; G87-V120 CarbonylContact C-O 3.55Å; G87-V120 WeakPolarHBondContact CA-O 3.32Å; L88-V120 PolarHBondContact N-O 2.84Å; D118-V120 PolarHBondContact O-N 2.88Å; V120-N152 HydrophobicContact CG1-CB 4.34Å; V120-W172 HydrophobicContact CG1-CH2 3.46Å; V120-W172 VanDerWaalsContact CG1-CH2 3.46Å; V120-W172 HydrophobicContact CG1-CZ2 4.47Å; V120-W172 HydrophobicContact CG1-CZ3 3.6Å; V120-L173 HydrophobicContact CB-CD1 4.02Å; V120-L173 HydrophobicContact CG1-CD1 3.76Å; V120-Q176 HydrophobicContact CG1-CB 3.83Å; V120-Q176 HydrophobicContact CG1-CG 4.11Å; V120-Q176 HydrophobicContact CG2-CB 4.17Å; V120-L177 HydrophobicContact CB-CD2 4.18Å; V120-L177 HydrophobicContact CG2-CD2 3.8Å; V120-K180 HydrophobicContact CG2-CD 4.31Å
121	L	97.9	Very high	96.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.1	-178.5	174	63.7	0	0	0	111.1	L88 F90 L107 L111 V123 L145 L148 N152 W153 Y154 W172	L88-L121 HydrophobicContact CB-CD1 4.42Å; L88-L121 HydrophobicContact CD2-CD1 3.95Å; L88-L121 HydrophobicContact CG-CD1 4Å; L88-L121 CarbonylContact O-C 3.55Å; L88-L121 WeakPolarHBondContact O-CA 3.34Å; F90-L121 HydrophobicContact CB-CD1 4.06Å; L107-L121 HydrophobicContact CD1-CD1 4.02Å; L107-L121 HydrophobicContact CD1-CD2 4.32Å; L111-L121 HydrophobicContact CD1-CD2 3.91Å; L111-L121 HydrophobicContact CD2-CD2 4.32Å; L121-V123 HydrophobicContact CD1-CG2 4.12Å; L121-V123 HydrophobicContact CD2-CG2 4.2Å; L121-V123 HydrophobicContact CG-CG2 4.05Å; L121-L145 HydrophobicContact CD2-CD2 4.47Å; L121-L148 HydrophobicContact CD2-CD1 3.74Å; L121-N152 PolarHBondContact N-O 3.28Å; L121-W153 HydrophobicContact CB-CB 3.93Å; L121-W153 HydrophobicContact CD2-CB 4.02Å; L121-W153 HydrophobicContact CG-CB 4.16Å; L121-W153 CarbonylContact O-C 3.58Å; L121-W153 WeakPolarHBondContact O-CA 3.4Å; L121-Y154 PolarHBondContact O-N 2.96Å; L121-W172 WeakPolarHBondContact O-CH2 3.35Å; L121-W172 WeakPolarHBondContact O-CZ3 3.1Å
122	L	98.1	Very high	96.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.6	164.1	174	63.1	0	0	0	108.3	L88 I89 F90 F124 Y154 Q156 G169 W172 L173	L88-L122 PolarHBondContact O-N 2.79Å; I89-L122 CarbonylContact C-O 3.48Å; I89-L122 VanDerWaalsContact CA-O 3.26Å; I89-L122 WeakPolarHBondContact CA-O 3.39Å; I89-L122 HydrophobicContact CD1-CD2 4.38Å; I89-L122 HydrophobicContact CG1-CB 4.3Å; I89-L122 HydrophobicContact CG1-CD2 4.19Å; F90-L122 PolarHBondContact N-O 3.39Å; L122-F124 HydrophobicContact CD1-CE1 4.49Å; L122-F124 HydrophobicContact CD2-CD1 4.41Å; L122-F124 HydrophobicContact CD2-CE1 3.8Å; L122-F124 HydrophobicContact CD2-CE2 4.08Å; L122-F124 HydrophobicContact CD2-CZ 3.61Å; L122-F124 HydrophobicContact CG-CD1 4.44Å; L122-F124 HydrophobicContact CG-CE1 4.28Å; L122-F124 HydrophobicContact CG-CZ 4.45Å; L122-Y154 CarbonylContact C-O 3.58Å; L122-Y154 WeakPolarHBondContact CA-O 3.49Å; L122-Y154 HydrophobicContact CD1-CD1 3.78Å; L122-Q156 HydrophobicContact CD1-CB 4.29Å; L122-G169 WeakPolarHBondContact CD2-O 3.45Å; L122-W172 HydrophobicContact CB-CZ3 4.21Å; L122-W172 HydrophobicContact CD1-CE3 4.18Å; L122-W172 HydrophobicContact CD1-CZ3 4.49Å; L122-L173 HydrophobicContact CD2-CB 4.24Å; L122-L173 HydrophobicContact CD2-CD2 4.25Å
123	V	98.8	Very high	96.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.6	171.7	-179.3	0	0	0	0	108.7	F90 V92 L121 L143 L145 Y154 I155 Q156	F90-V123 HydrophobicContact CB-CG2 4.5Å; F90-V123 CarbonylContact O-C 3.59Å; F90-V123 VanDerWaalsContact O-CA 3.29Å; F90-V123 WeakPolarHBondContact O-CA 3.49Å; V92-V123 HydrophobicContact CG2-CG1 4.25Å; L121-V123 HydrophobicContact CD1-CG2 4.12Å; L121-V123 HydrophobicContact CD2-CG2 4.2Å; L121-V123 HydrophobicContact CG-CG2 4.05Å; V123-L143 HydrophobicContact CG1-CD1 3.84Å; V123-L143 HydrophobicContact CG2-CD1 4.49Å; V123-L145 HydrophobicContact CB-CD1 4.47Å; V123-L145 HydrophobicContact CG2-CD1 4Å; V123-L145 HydrophobicContact CG2-CD2 4.22Å; V123-Y154 PolarHBondContact N-O 2.88Å; V123-I155 HydrophobicContact CB-CB 4.2Å; V123-I155 HydrophobicContact CB-CD1 4.32Å; V123-I155 HydrophobicContact CB-CG1 4Å; V123-I155 HydrophobicContact CG1-CD1 3.95Å; V123-I155 HydrophobicContact CG1-CG1 4.03Å; V123-I155 CarbonylContact O-C 3.55Å; V123-I155 WeakPolarHBondContact O-CA 3.39Å; V123-Q156 PolarHBondContact O-N 3.16Å
124	F	98.8	Very high	97.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	109.7	166.9	-76	-41.9	0	0	0	109.5	I33 I89 F90 V91 V92 L122 N126 Q156 T158 L166	I33-F124 HydrophobicContact CD1-CB 4.48Å; I33-F124 HydrophobicContact CD1-CD2 3.89Å; I33-F124 HydrophobicContact CD1-CG 4.48Å; I33-F124 HydrophobicContact CG2-CE2 4.3Å; I89-F124 HydrophobicContact CD1-CE2 4.33Å; I89-F124 HydrophobicContact CG2-CD2 3.36Å; I89-F124 HydrophobicContact CG2-CE2 3.64Å; I89-F124 HydrophobicContact CG2-CG 4.28Å; F90-F124 PolarHBondContact O-N 3.36Å; V91-F124 HydrophobicContact CG1-CB 4.34Å; V91-F124 HydrophobicContact CG2-CB 4.42Å; V91-F124 HydrophobicContact CG2-CD2 4.36Å; V92-F124 PolarHBondContact N-O 3.46Å; L122-F124 HydrophobicContact CD1-CE1 4.49Å; L122-F124 HydrophobicContact CD2-CD1 4.41Å; L122-F124 HydrophobicContact CD2-CE1 3.8Å; L122-F124 HydrophobicContact CD2-CE2 4.08Å; L122-F124 HydrophobicContact CD2-CZ 3.61Å; L122-F124 HydrophobicContact CG-CD1 4.44Å; L122-F124 HydrophobicContact CG-CE1 4.28Å; L122-F124 HydrophobicContact CG-CZ 4.45Å; F124-N126 VanDerWaalsContact C-N 3.28Å; F124-N126 PolarHBondContact O-N 2.79Å; F124-N126 VanDerWaalsContact O-N 3.09Å; F124-Q156 HydrophobicContact CD1-CB 4Å; F124-Q156 HydrophobicContact CD1-CG 4.37Å; F124-Q156 HydrophobicContact CE1-CB 4.13Å; F124-Q156 HydrophobicContact CE1-CG 4.21Å; F124-T158 HydrophobicContact CB-CG2 4.36Å; F124-T158 HydrophobicContact CD1-CG2 3.25Å; F124-T158 HydrophobicContact CE1-CG2 3.62Å; F124-T158 HydrophobicContact CG-CG2 4Å; F124-L166 HydrophobicContact CE1-CD2 4.46Å; F124-L166 HydrophobicContact CE2-CD2 4.31Å; F124-L166 HydrophobicContact CZ-CD2 4.22Å
125	A	98.8	Very high	97.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	83.1	166.2	0	0	0	0	0	107.8	S94 Q128 I139 I155 Q156 T158	S94-A125 PolarHBondContact OG-O 2.96Å; A125-Q128 VanDerWaalsContact O-CG 3.23Å; A125-Q128 WeakPolarHBondContact O-CG 3.47Å; A125-I139 HydrophobicContact CB-CD1 3.46Å; A125-I139 VanDerWaalsContact CB-CD1 3.46Å; A125-I155 HydrophobicContact CB-CD1 4.23Å; A125-I155 HydrophobicContact CB-CG1 4.23Å; A125-Q156 PolarHBondContact N-O 2.89Å; A125-T158 PolarHBondContact O-N 2.59Å
126	N	98.7	Very high	97.4	Very high	3 Å²	3	43 Å²	43	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	161.6	-168.7	-169.4	36.6	0	0	0	112.7	A28 V91 V92 S94 F124 T158 A160	A28-N126 PolarHBondContact O-ND2 3.44Å; V91-N126 HydrophobicContact CG1-CB 3.84Å; V92-N126 WeakPolarHBondContact O-CB 3.43Å; V92-N126 PolarHBondContact O-N 2.99Å; S94-N126 WeakPolarHBondContact CB-O 3.05Å; S94-N126 PolarHBondContact N-O 2.97Å; S94-N126 PolarHBondContact OG-N 3.17Å; S94-N126 PolarHBondContact OG-O 3.48Å; F124-N126 VanDerWaalsContact C-N 3.28Å; F124-N126 PolarHBondContact O-N 2.79Å; F124-N126 VanDerWaalsContact O-N 3.09Å; N126-T158 CarbonylContact C-O 3.5Å; N126-T158 WeakPolarHBondContact CA-O 3.23Å; N126-T158 WeakPolarHBondContact CA-OG1 3.23Å; N126-T158 PolarHBondContact OD1-O 3.47Å; N126-T158 PolarHBondContact OD1-OG1 2.87Å; N126-A160 WeakPolarHBondContact OD1-CB 3.23Å; N126-A160 PolarHBondContact OD1-N 3.46Å
127	K	98.5	Very high	97.5	Very high	48 Å²	48	46 Å²	46	21%	0.209	25%	0.252	C	S	.	.			trans	68.5	38	-177.5	-43.9	-166.8	-167.6	173.8	0	114.1	A27 D93 D129 L130 A133 T158	A27-K127 WeakPolarHBondContact O-CE 3.44Å; A27-K127 PolarHBondContact O-NZ 3.34Å; D93-K127 WeakPolarHBondContact OD1-CD 3.4Å; D93-K127 IonicContact OD1-NZ 2.91Å; D93-K127 VanDerWaalsContact OD2-CE 3.28Å; D93-K127 WeakPolarHBondContact OD2-CE 3.47Å; D93-K127 IonicContact OD2-NZ 3.57Å; D93-K127 PolarHBondContact OD2-NZ 3.46Å; K127-D129 VanDerWaalsContact C-OD1 3.26Å; K127-D129 VanDerWaalsContact CA-OD1 3.25Å; K127-D129 WeakPolarHBondContact CA-OD1 3.24Å; K127-D129 PolarHBondContact O-N 2.79Å; K127-L130 HydrophobicContact CB-CD1 3.86Å; K127-L130 HydrophobicContact CB-CG 4.19Å; K127-L130 HydrophobicContact CD-CD1 3.96Å; K127-L130 PolarHBondContact O-N 3.32Å; K127-A133 WeakPolarHBondContact O-CB 3.49Å; K127-T158 PolarHBondContact N-O 3.01Å; K127-T158 VanDerWaalsContact N-O 3.08Å
128	Q	98.6	Very high	97.7	Very high	62 Å²	62	41.1 Å²	41.1	29%	0.29	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.1	176.6	-66	-72.8	-56.8	0	0	113.5	S94 A125 L130 M134 A157 T158	S94-Q128 PolarHBondContact OG-NE2 3.16Å; A125-Q128 VanDerWaalsContact O-CG 3.23Å; A125-Q128 WeakPolarHBondContact O-CG 3.47Å; Q128-L130 VanDerWaalsContact C-N 3.26Å; Q128-M134 PolarHBondContact NE2-O 3.09Å; Q128-A157 HydrophobicContact CG-CB 3.98Å; Q128-T158 WeakPolarHBondContact CG-O 3.25Å; Q128-T158 PolarHBondContact N-O 2.87Å; Q128-T158 VanDerWaalsContact N-O 3.15Å
129	D	98	Very high	98	Very high	95 Å²	95	35.6 Å²	35.6	51%	0.508	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-14.2	171.5	58.8	-60.8	0	0	0	113.5	K127 C159	K127-D129 VanDerWaalsContact C-OD1 3.26Å; K127-D129 VanDerWaalsContact CA-OD1 3.25Å; K127-D129 WeakPolarHBondContact CA-OD1 3.24Å; K127-D129 PolarHBondContact O-N 2.79Å; D129-C159 VanDerWaalsContact CG-SG 3.6Å; D129-C159 PolarHBondContact OD1-SG 2.7Å; D129-C159 VanDerWaalsContact OD1-SG 3.35Å
130	L	98.1	Very high	98.2	Very high	59 Å²	59	35.9 Å²	35.9	31%	0.309	21%	0.208	S	C	.	.	S	Bend	trans	-87.8	143.4	-177.4	-61	-178.4	0	0	0	112.4	N95 K127 Q128 N132 A133	N95-L130 HydrophobicContact CB-CB 3.95Å; N95-L130 HydrophobicContact CB-CD1 3.54Å; N95-L130 HydrophobicContact CB-CG 4.39Å; N95-L130 WeakPolarHBondContact OD1-CB 3.03Å; K127-L130 HydrophobicContact CB-CD1 3.86Å; K127-L130 HydrophobicContact CB-CG 4.19Å; K127-L130 HydrophobicContact CD-CD1 3.96Å; K127-L130 PolarHBondContact O-N 3.32Å; Q128-L130 VanDerWaalsContact C-N 3.26Å; L130-N132 VanDerWaalsContact C-N 3.31Å; L130-N132 PolarHBondContact O-N 2.77Å; L130-A133 VanDerWaalsContact O-CB 3.23Å; L130-A133 WeakPolarHBondContact O-CB 3.47Å; L130-A133 PolarHBondContact O-N 2.65Å; L130-A133 VanDerWaalsContact O-N 3.17Å
131	P	96.4	Very high	98.3	Very high	122 Å²	122	40.9 Å²	40.9	79%	0.792	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.5	-168.3	25	-35.4	0	0	0	114.9
132	N	96.8	Very high	98.3	Very high	106 Å²	106	44.9 Å²	44.9	57%	0.567	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	13.2	-179.1	-61.6	-46.1	0	0	0	112.6	N95 R97 L130 M134	N95-N132 WeakPolarHBondContact OD1-CA 3.38Å; N95-N132 WeakPolarHBondContact OD1-CB 3.45Å; N95-N132 PolarHBondContact OD1-N 3.16Å; R97-N132 PolarHBondContact NE-O 2.88Å; L130-N132 VanDerWaalsContact C-N 3.31Å; L130-N132 PolarHBondContact O-N 2.77Å; N132-M134 PolarHBondContact O-N 3.26Å
133	A	98.4	Very high	98.3	Very high	21 Å²	21	44.9 Å²	44.9	17%	0.174	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-58.8	126.6	-179.9	0	0	0	0	0	111	S94 N95 K127 L130 N135	S94-A133 CarbonylContact O-C 3.6Å; S94-A133 WeakPolarHBondContact O-CA 3.35Å; N95-A133 PolarHBondContact OD1-N 3Å; K127-A133 WeakPolarHBondContact O-CB 3.49Å; L130-A133 VanDerWaalsContact O-CB 3.23Å; L130-A133 WeakPolarHBondContact O-CB 3.47Å; L130-A133 PolarHBondContact O-N 2.65Å; L130-A133 VanDerWaalsContact O-N 3.17Å; A133-N135 PolarHBondContact O-N 2.89Å
134	M	98.8	Very high	98.3	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-60.6	128.3	166.2	-63.9	173.9	-76.4	0	0	108.4	S94 R97 V100 Q128 N132 E138 I139 K142	S94-M134 WeakPolarHBondContact CB-O 3.08Å; S94-M134 WeakPolarHBondContact O-CE 3.45Å; S94-M134 WeakPolarHBondContact O-CG 3.09Å; S94-M134 PolarHBondContact O-N 3.45Å; R97-M134 HydrophobicContact CG-CE 4.18Å; R97-M134 HydrophobicContact CG-CG 3.84Å; R97-M134 HydrophobicContact CG-SD 3.98Å; V100-M134 HydrophobicContact CB-CE 3.9Å; V100-M134 HydrophobicContact CB-SD 4.25Å; V100-M134 HydrophobicContact CG1-CE 4.49Å; V100-M134 HydrophobicContact CG1-SD 4.25Å; V100-M134 HydrophobicContact CG2-CE 3.86Å; V100-M134 HydrophobicContact CG2-SD 4.12Å; Q128-M134 PolarHBondContact NE2-O 3.09Å; N132-M134 PolarHBondContact O-N 3.26Å; M134-E138 WeakPolarHBondContact CA-OE2 3.09Å; M134-E138 HydrophobicContact CB-CB 4.21Å; M134-E138 HydrophobicContact CB-CG 4.13Å; M134-E138 HydrophobicContact CG-CG 4.15Å; M134-I139 HydrophobicContact CB-CD1 4.05Å; M134-I139 HydrophobicContact CB-CG1 3.65Å; M134-I139 HydrophobicContact CE-CG1 4.43Å; M134-I139 WeakPolarHBondContact O-CD1 3.16Å; M134-I139 HydrophobicContact SD-CG1 4.47Å; M134-K142 HydrophobicContact SD-CG 4.49Å
135	N	98.3	Very high	98.2	Very high	87 Å²	87	45.5 Å²	45.5	47%	0.465	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-70.6	169.8	175	66	42.9	0	0	0	110.7	A133 A137 E138 I139	A133-N135 PolarHBondContact O-N 2.89Å; N135-A137 VanDerWaalsContact C-N 3.25Å; N135-A137 PolarHBondContact O-N 2.91Å; N135-A137 WeakPolarHBondContact OD1-CB 3.28Å; N135-A137 PolarHBondContact OD1-N 3.23Å; N135-A137 VanDerWaalsContact OD1-N 3.08Å; N135-E138 PolarHBondContact O-N 3.15Å; N135-E138 PolarHBondContact OD1-N 3.08Å; N135-I139 PolarHBondContact O-N 3.17Å
136	A	98.2	Very high	98.1	Very high	26 Å²	26	51.5 Å²	51.5	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-58.4	-34.5	-178.6	0	0	0	0	0	113.4	T140 I155 A157	A136-T140 WeakPolarHBondContact O-CB 3.47Å; A136-T140 PolarHBondContact O-N 3.3Å; A136-T140 PolarHBondContact O-OG1 3.49Å; A136-I155 HydrophobicContact CB-CD1 4.42Å; A136-I155 HydrophobicContact CB-CG1 4.35Å; A136-I155 HydrophobicContact CB-CG2 4.42Å; A136-A157 HydrophobicContact CB-CB 4.49Å
137	A	98.3	Very high	98	Very high	62 Å²	62	55 Å²	55	51%	0.512	31%	0.311	S	S	.	.	H	α-helix	trans	-67.2	-46.6	177.8	0	0	0	0	0	111.2	N135 I139 T140 D141	N135-A137 VanDerWaalsContact C-N 3.25Å; N135-A137 PolarHBondContact O-N 2.91Å; N135-A137 WeakPolarHBondContact OD1-CB 3.28Å; N135-A137 PolarHBondContact OD1-N 3.23Å; N135-A137 VanDerWaalsContact OD1-N 3.08Å; A137-I139 VanDerWaalsContact C-N 3.33Å; A137-I139 PolarHBondContact O-N 3.41Å; A137-T140 VanDerWaalsContact O-CB 3.3Å; A137-T140 WeakPolarHBondContact O-CB 3.34Å; A137-T140 PolarHBondContact O-N 2.8Å; A137-T140 VanDerWaalsContact O-N 3.14Å; A137-D141 PolarHBondContact O-N 3.24Å; A137-D141 VanDerWaalsContact O-N 3.08Å
138	E	98.6	Very high	97.8	Very high	51 Å²	51	54 Å²	54	24%	0.238	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-41.9	176.8	-175.3	174.7	-171.1	0	0	111.6	R97 M134 N135 T140 D141 K142	R97-E138 IonicContact CZ-OE1 2.97Å; R97-E138 IonicContact CZ-OE2 3.68Å; R97-E138 IonicContact NH1-OE1 3.9Å; R97-E138 PolarHBondContact NH1-OE1 2.9Å; R97-E138 IonicContact NH1-OE2 2.57Å; R97-E138 IonicContact NH2-OE1 2.73Å; R97-E138 PolarHBondContact NH2-OE1 3.03Å; R97-E138 IonicContact NH2-OE2 3.97Å; R97-E138 PolarHBondContact NH2-OE2 3.22Å; M134-E138 WeakPolarHBondContact CA-OE2 3.09Å; M134-E138 HydrophobicContact CB-CB 4.21Å; M134-E138 HydrophobicContact CB-CG 4.13Å; M134-E138 HydrophobicContact CG-CG 4.15Å; N135-E138 PolarHBondContact O-N 3.15Å; N135-E138 PolarHBondContact OD1-N 3.08Å; E138-T140 VanDerWaalsContact C-N 3.34Å; E138-T140 PolarHBondContact O-N 3.44Å; E138-D141 PolarHBondContact O-N 3.32Å; E138-K142 HydrophobicContact CG-CG 4.31Å; E138-K142 WeakPolarHBondContact O-CB 3.02Å; E138-K142 VanDerWaalsContact O-CG 3.22Å; E138-K142 WeakPolarHBondContact O-CG 3.29Å; E138-K142 PolarHBondContact O-N 2.7Å
139	I	98.6	Very high	97.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65.8	-38.2	176	-67.8	172.2	0	0	0	111.2	V92 S94 A125 M134 N135 A137 D141 K142 L143 I155	V92-I139 HydrophobicContact CG1-CD1 4.48Å; V92-I139 HydrophobicContact CG1-CG2 4.49Å; S94-I139 VanDerWaalsContact OG-CD1 3.24Å; S94-I139 WeakPolarHBondContact OG-CD1 3.45Å; A125-I139 HydrophobicContact CB-CD1 3.46Å; A125-I139 VanDerWaalsContact CB-CD1 3.46Å; M134-I139 HydrophobicContact CB-CD1 4.05Å; M134-I139 HydrophobicContact CB-CG1 3.65Å; M134-I139 HydrophobicContact CE-CG1 4.43Å; M134-I139 WeakPolarHBondContact O-CD1 3.16Å; M134-I139 HydrophobicContact SD-CG1 4.47Å; N135-I139 PolarHBondContact O-N 3.17Å; A137-I139 VanDerWaalsContact C-N 3.33Å; A137-I139 PolarHBondContact O-N 3.41Å; I139-D141 VanDerWaalsContact C-N 3.29Å; I139-D141 PolarHBondContact O-N 3.49Å; I139-K142 PolarHBondContact O-N 2.69Å; I139-L143 HydrophobicContact CG2-CD1 3.57Å; I139-L143 HydrophobicContact CG2-CG 3.88Å; I139-L143 VanDerWaalsContact O-CB 3.31Å; I139-L143 WeakPolarHBondContact O-CB 3.27Å; I139-L143 VanDerWaalsContact O-CG 3.3Å; I139-L143 WeakPolarHBondContact O-CG 3.33Å; I139-L143 PolarHBondContact O-N 3.46Å; I139-I155 HydrophobicContact CB-CD1 3.9Å; I139-I155 HydrophobicContact CG2-CD1 3.6Å
140	T	98.5	Very high	97.1	Very high	10 Å²	10	66.1 Å²	66.1	6%	0.061	35%	0.352	C	S	.	.	H	α-helix	trans	-56.8	-46.3	175.6	-59.4	0	0	0	0	111	A136 A137 E138 G144 L145 H146 W153	A136-T140 WeakPolarHBondContact O-CB 3.47Å; A136-T140 PolarHBondContact O-N 3.3Å; A136-T140 PolarHBondContact O-OG1 3.49Å; A137-T140 VanDerWaalsContact O-CB 3.3Å; A137-T140 WeakPolarHBondContact O-CB 3.34Å; A137-T140 PolarHBondContact O-N 2.8Å; A137-T140 VanDerWaalsContact O-N 3.14Å; E138-T140 VanDerWaalsContact C-N 3.34Å; E138-T140 PolarHBondContact O-N 3.44Å; T140-G144 PolarHBondContact O-N 2.91Å; T140-L145 HydrophobicContact CG2-CB 4.01Å; T140-L145 HydrophobicContact CG2-CD1 4.34Å; T140-L145 HydrophobicContact CG2-CG 4.46Å; T140-L145 PolarHBondContact O-N 3.27Å; T140-H146 WeakPolarHBondContact CG2-NE2 3.32Å; T140-W153 HydrophobicContact CG2-CH2 3.9Å; T140-W153 HydrophobicContact CG2-CZ3 4.32Å
141	D	98.3	Very high	96.9	Very high	105 Å²	105	64.8 Å²	64.8	56%	0.561	34%	0.342	S	S	*	.	H	α-helix	trans	-67.1	-48.6	177.6	-70.8	-27.9	0	0	0	111.8	A137 E138 I139 L143 G144 H146	A137-D141 PolarHBondContact O-N 3.24Å; A137-D141 VanDerWaalsContact O-N 3.08Å; E138-D141 PolarHBondContact O-N 3.32Å; I139-D141 VanDerWaalsContact C-N 3.29Å; I139-D141 PolarHBondContact O-N 3.49Å; D141-L143 PolarHBondContact O-N 3.2Å; D141-G144 PolarHBondContact O-N 2.68Å; D141-H146 IonicContact OD1-CD2 3.52Å; D141-H146 IonicContact OD1-NE2 3.91Å
142	K	98.3	Very high	96.9	Very high	84 Å²	84	63 Å²	63	37%	0.365	33%	0.326	S	S	.	.	H	α-helix	trans	-61.7	-41.7	-178.2	-72.6	-71.9	-176.8	-179.6	0	112.4	V100 R104 M134 E138 I139 G144	V100-K142 HydrophobicContact CG1-CB 4.23Å; V100-K142 HydrophobicContact CG1-CD 4.06Å; V100-K142 HydrophobicContact CG1-CG 4.23Å; V100-K142 HydrophobicContact CG2-CB 3.83Å; V100-K142 HydrophobicContact CG2-CG 4.44Å; R104-K142 WeakPolarHBondContact CD-O 3.39Å; M134-K142 HydrophobicContact SD-CG 4.49Å; E138-K142 HydrophobicContact CG-CG 4.31Å; E138-K142 WeakPolarHBondContact O-CB 3.02Å; E138-K142 VanDerWaalsContact O-CG 3.22Å; E138-K142 WeakPolarHBondContact O-CG 3.29Å; E138-K142 PolarHBondContact O-N 2.7Å; I139-K142 PolarHBondContact O-N 2.69Å; K142-G144 VanDerWaalsContact C-N 3.29Å
143	L	98.5	Very high	96.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-76.6	-15.8	175.1	-63.2	-178.3	0	0	0	112.7	V92 V100 A103 R104 L107 M108 V123 I139 D141 L145	V92-L143 HydrophobicContact CG2-CD1 4.02Å; V92-L143 HydrophobicContact CG2-CD2 4.47Å; V100-L143 HydrophobicContact CG2-CD2 4.47Å; A103-L143 HydrophobicContact CB-CD2 4.43Å; R104-L143 HydrophobicContact CB-CD2 3.98Å; L107-L143 HydrophobicContact CD2-CB 4.48Å; L107-L143 HydrophobicContact CD2-CD1 4.18Å; M108-L143 WeakPolarHBondContact CE-O 3.1Å; V123-L143 HydrophobicContact CG1-CD1 3.84Å; V123-L143 HydrophobicContact CG2-CD1 4.49Å; I139-L143 HydrophobicContact CG2-CD1 3.57Å; I139-L143 HydrophobicContact CG2-CG 3.88Å; I139-L143 VanDerWaalsContact O-CB 3.31Å; I139-L143 WeakPolarHBondContact O-CB 3.27Å; I139-L143 VanDerWaalsContact O-CG 3.3Å; I139-L143 WeakPolarHBondContact O-CG 3.33Å; I139-L143 PolarHBondContact O-N 3.46Å; D141-L143 PolarHBondContact O-N 3.2Å; L143-L145 HydrophobicContact CB-CD2 3.78Å; L143-L145 HydrophobicContact CB-CG 3.93Å; L143-L145 HydrophobicContact CD1-CD1 4.49Å; L143-L145 HydrophobicContact CD1-CD2 4.17Å; L143-L145 HydrophobicContact CD1-CG 4.47Å
144	G	97.8	Very high	96.9	Very high	13 Å²	13	64.3 Å²	64.3	13%	0.134	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	33.4	-177.4	0	0	0	0	0	113.2	T140 D141 K142 H146 S147	T140-G144 PolarHBondContact O-N 2.91Å; D141-G144 PolarHBondContact O-N 2.68Å; K142-G144 VanDerWaalsContact C-N 3.29Å; G144-H146 PolarHBondContact O-N 2.92Å; G144-H146 VanDerWaalsContact O-N 3.13Å; G144-S147 PolarHBondContact O-N 3.05Å; G144-S147 PolarHBondContact O-OG 2.79Å
145	L	97.9	Very high	96.9	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-61.5	-27.3	-175.1	-56.6	-177.5	0	0	0	112.6	L107 L121 V123 T140 L143 S147 L148 W153 I155	L107-L145 HydrophobicContact CD2-CD2 3.88Å; L121-L145 HydrophobicContact CD2-CD2 4.47Å; V123-L145 HydrophobicContact CB-CD1 4.47Å; V123-L145 HydrophobicContact CG2-CD1 4Å; V123-L145 HydrophobicContact CG2-CD2 4.22Å; T140-L145 HydrophobicContact CG2-CB 4.01Å; T140-L145 HydrophobicContact CG2-CD1 4.34Å; T140-L145 HydrophobicContact CG2-CG 4.46Å; T140-L145 PolarHBondContact O-N 3.27Å; L143-L145 HydrophobicContact CB-CD2 3.78Å; L143-L145 HydrophobicContact CB-CG 3.93Å; L143-L145 HydrophobicContact CD1-CD1 4.49Å; L143-L145 HydrophobicContact CD1-CD2 4.17Å; L143-L145 HydrophobicContact CD1-CG 4.47Å; L145-S147 PolarHBondContact O-N 3.41Å; L145-S147 VanDerWaalsContact O-N 3.14Å; L145-L148 HydrophobicContact CD2-CD1 3.97Å; L145-L148 WeakPolarHBondContact O-CB 3.24Å; L145-L148 PolarHBondContact O-N 3.49Å; L145-W153 HydrophobicContact CB-CD2 4.13Å; L145-W153 HydrophobicContact CB-CE3 4.08Å; L145-W153 HydrophobicContact CB-CH2 3.97Å; L145-W153 HydrophobicContact CB-CZ2 4Å; L145-W153 HydrophobicContact CB-CZ3 4.01Å; L145-W153 HydrophobicContact CD1-CE3 3.9Å; L145-W153 HydrophobicContact CD1-CZ3 3.89Å; L145-W153 PolarHBondContact O-NE1 3.3Å; L145-I155 HydrophobicContact CD1-CB 4.29Å; L145-I155 HydrophobicContact CD1-CD1 4.21Å
146	H	96.8	Very high	97	Very high	126 Å²	126	62.3 Å²	62.3	58%	0.583	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-60.2	-20.5	174.6	-67.5	-55	0	0	0	114.2	T140 D141 G144 L148	T140-H146 WeakPolarHBondContact CG2-NE2 3.32Å; D141-H146 IonicContact OD1-CD2 3.52Å; D141-H146 IonicContact OD1-NE2 3.91Å; G144-H146 PolarHBondContact O-N 2.92Å; G144-H146 VanDerWaalsContact O-N 3.13Å; H146-L148 VanDerWaalsContact C-N 3.31Å
147	S	95.8	Very high	97	Very high	78 Å²	78	62.7 Å²	62.7	55%	0.545	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-79.2	-11.8	175.2	67.8	0	0	0	0	113.6	G144 L145 R149	G144-S147 PolarHBondContact O-N 3.05Å; G144-S147 PolarHBondContact O-OG 2.79Å; L145-S147 PolarHBondContact O-N 3.41Å; L145-S147 VanDerWaalsContact O-N 3.14Å; S147-R149 VanDerWaalsContact C-N 3.27Å; S147-R149 PolarHBondContact O-N 2.95Å
148	L	95.3	Very high	97	Very high	25 Å²	25	59.9 Å²	59.9	13%	0.131	29%	0.287	C	S	.	.			trans	-81	61.6	-176.5	-58	177.9	0	0	0	112.7	M108 L111 L121 L145 H146 H150 R151	M108-L148 HydrophobicContact CE-CD2 4.24Å; M108-L148 HydrophobicContact SD-CD2 4.11Å; L111-L148 HydrophobicContact CD1-CD1 3.64Å; L111-L148 HydrophobicContact CD1-CD2 3.74Å; L111-L148 HydrophobicContact CD1-CG 4.36Å; L121-L148 HydrophobicContact CD2-CD1 3.74Å; L145-L148 HydrophobicContact CD2-CD1 3.97Å; L145-L148 WeakPolarHBondContact O-CB 3.24Å; L145-L148 PolarHBondContact O-N 3.49Å; H146-L148 VanDerWaalsContact C-N 3.31Å; L148-H150 VanDerWaalsContact C-N 3.31Å; L148-H150 PolarHBondContact O-N 3.43Å; L148-R151 HydrophobicContact CB-CB 4.49Å; L148-R151 PolarHBondContact O-N 2.87Å
149	R	89.4	Confident	97	Very high	221 Å²	221	58 Å²	58	83%	0.834	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.6	-170.8	-64.1	-172.1	179.3	-157.1	0.1	115.8	S147	S147-R149 VanDerWaalsContact C-N 3.27Å; S147-R149 PolarHBondContact O-N 2.95Å
150	H	91.2	Very high	96.8	Very high	192 Å²	192	58.1 Å²	58.1	89%	0.889	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	17	-173.6	-61.3	-65.6	0	0	0	113.4	L148	L148-H150 VanDerWaalsContact C-N 3.31Å; L148-H150 PolarHBondContact O-N 3.43Å
151	R	94.8	Very high	96.7	Very high	30 Å²	30	60.6 Å²	60.6	11%	0.113	30%	0.296	C	S	.	.	S	Bend	trans	-129	133.3	-177.7	-174.6	175.4	-70.1	-102.8	8.7	109.8	L111 L116 A119 L148 W153	L111-R151 PolarHBondContact O-NH2 3.4Å; L116-R151 PolarHBondContact O-NH1 3.32Å; L116-R151 PolarHBondContact O-NH2 3.29Å; A119-R151 PolarHBondContact O-NH1 3.14Å; L148-R151 HydrophobicContact CB-CB 4.49Å; L148-R151 PolarHBondContact O-N 2.87Å; R151-W153 VanDerWaalsContact O-CD1 3.31Å; R151-W153 PolarHBondContact O-N 3.49Å
152	N	96	Very high	96.5	Very high	85 Å²	85	58 Å²	58	46%	0.455	29%	0.286	S	S	.	.			trans	-71.6	117.8	169.5	-70.2	-12.1	0	0	0	108.4	V120 L121	V120-N152 HydrophobicContact CG1-CB 4.34Å; L121-N152 PolarHBondContact N-O 3.28Å
153	W	97.9	Very high	96.3	Very high	71 Å²	71	54.4 Å²	54.4	27%	0.269	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154.6	177.2	66.9	-96	0	0	0	111.9	L121 T140 L145 R151 I155 W172	L121-W153 HydrophobicContact CB-CB 3.93Å; L121-W153 HydrophobicContact CD2-CB 4.02Å; L121-W153 HydrophobicContact CG-CB 4.16Å; L121-W153 CarbonylContact O-C 3.58Å; L121-W153 WeakPolarHBondContact O-CA 3.4Å; T140-W153 HydrophobicContact CG2-CH2 3.9Å; T140-W153 HydrophobicContact CG2-CZ3 4.32Å; L145-W153 HydrophobicContact CB-CD2 4.13Å; L145-W153 HydrophobicContact CB-CE3 4.08Å; L145-W153 HydrophobicContact CB-CH2 3.97Å; L145-W153 HydrophobicContact CB-CZ2 4Å; L145-W153 HydrophobicContact CB-CZ3 4.01Å; L145-W153 HydrophobicContact CD1-CE3 3.9Å; L145-W153 HydrophobicContact CD1-CZ3 3.89Å; L145-W153 PolarHBondContact O-NE1 3.3Å; R151-W153 VanDerWaalsContact O-CD1 3.31Å; R151-W153 PolarHBondContact O-N 3.49Å; W153-I155 HydrophobicContact CZ3-CG2 4.25Å; W153-W172 VanDerWaalsContact C-CH2 3.46Å
154	Y	98.4	Very high	96.2	Very high	83 Å²	83	59.5 Å²	59.5	33%	0.325	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150.9	170	177.6	-118.4	0	0	0	109.3	L121 L122 V123 Q156 W172	L121-Y154 PolarHBondContact O-N 2.96Å; L122-Y154 CarbonylContact C-O 3.58Å; L122-Y154 WeakPolarHBondContact CA-O 3.49Å; L122-Y154 HydrophobicContact CD1-CD1 3.78Å; V123-Y154 PolarHBondContact N-O 2.88Å; Y154-Q156 HydrophobicContact CD1-CB 4.34Å; Y154-Q156 HydrophobicContact CE1-CB 3.82Å; Y154-Q156 HydrophobicContact CE1-CG 4.43Å; Y154-Q156 PolarHBondContact OH-OE1 3.41Å; Y154-W172 HydrophobicContact CD1-CB 3.95Å; Y154-W172 AromaticContact CD1-CD2 3.8Å; Y154-W172 HydrophobicContact CD1-CD2 3.8Å; Y154-W172 HydrophobicContact CD1-CE3 4.09Å; Y154-W172 AromaticContact CD1-CG 3.7Å; Y154-W172 HydrophobicContact CD1-CG 3.7Å; Y154-W172 HydrophobicContact CE1-CB 4.24Å; Y154-W172 HydrophobicContact CE1-CG 4.34Å; Y154-W172 AromaticContact CG-CD2 3.8Å; Y154-W172 HydrophobicContact CG-CD2 3.8Å; Y154-W172 AromaticContact CG-CE2 3.91Å; Y154-W172 HydrophobicContact CG-CE3 4.24Å; Y154-W172 AromaticContact CG-CG 3.95Å; Y154-W172 HydrophobicContact CG-CG 3.95Å; Y154-W172 HydrophobicContact CG-CZ2 4.44Å
155	I	98.7	Very high	96.2	Very high	19 Å²	19	59.2 Å²	59.2	10%	0.097	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.5	173.7	-173.6	162.8	0	0	0	108.8	V123 A125 A136 I139 L145 W153	V123-I155 HydrophobicContact CB-CB 4.2Å; V123-I155 HydrophobicContact CB-CD1 4.32Å; V123-I155 HydrophobicContact CB-CG1 4Å; V123-I155 HydrophobicContact CG1-CD1 3.95Å; V123-I155 HydrophobicContact CG1-CG1 4.03Å; V123-I155 CarbonylContact O-C 3.55Å; V123-I155 WeakPolarHBondContact O-CA 3.39Å; A125-I155 HydrophobicContact CB-CD1 4.23Å; A125-I155 HydrophobicContact CB-CG1 4.23Å; A136-I155 HydrophobicContact CB-CD1 4.42Å; A136-I155 HydrophobicContact CB-CG1 4.35Å; A136-I155 HydrophobicContact CB-CG2 4.42Å; I139-I155 HydrophobicContact CB-CD1 3.9Å; I139-I155 HydrophobicContact CG2-CD1 3.6Å; L145-I155 HydrophobicContact CD1-CB 4.29Å; L145-I155 HydrophobicContact CD1-CD1 4.21Å; W153-I155 HydrophobicContact CZ3-CG2 4.25Å
156	Q	98.8	Very high	96.1	Very high	27 Å²	27	59.2 Å²	59.2	13%	0.126	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.5	179.4	-178.9	57.1	60.7	0	0	108.9	L122 V123 F124 A125 Y154 T158 G165	L122-Q156 HydrophobicContact CD1-CB 4.29Å; V123-Q156 PolarHBondContact O-N 3.16Å; F124-Q156 HydrophobicContact CD1-CB 4Å; F124-Q156 HydrophobicContact CD1-CG 4.37Å; F124-Q156 HydrophobicContact CE1-CB 4.13Å; F124-Q156 HydrophobicContact CE1-CG 4.21Å; A125-Q156 PolarHBondContact N-O 2.89Å; Y154-Q156 HydrophobicContact CD1-CB 4.34Å; Y154-Q156 HydrophobicContact CE1-CB 3.82Å; Y154-Q156 HydrophobicContact CE1-CG 4.43Å; Y154-Q156 PolarHBondContact OH-OE1 3.41Å; Q156-T158 HydrophobicContact CB-CG2 4.45Å; Q156-T158 HydrophobicContact CG-CG2 3.91Å; Q156-G165 WeakPolarHBondContact CG-O 3.42Å
157	A	98.8	Very high	95.9	Very high	35 Å²	35	58.1 Å²	58.1	29%	0.289	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	130.1	168.9	0	0	0	0	0	109	Q128 A136	Q128-A157 HydrophobicContact CG-CB 3.98Å; A136-A157 HydrophobicContact CB-CB 4.49Å
158	T	98.6	Very high	95.9	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.012	29%	0.287	C	S	.	.			trans	-140.8	156	-176.6	64.1	0	0	0	0	114	F124 A125 N126 K127 Q128 Q156 D164 L166	F124-T158 HydrophobicContact CB-CG2 4.36Å; F124-T158 HydrophobicContact CD1-CG2 3.25Å; F124-T158 HydrophobicContact CE1-CG2 3.62Å; F124-T158 HydrophobicContact CG-CG2 4Å; A125-T158 PolarHBondContact O-N 2.59Å; N126-T158 CarbonylContact C-O 3.5Å; N126-T158 WeakPolarHBondContact CA-O 3.23Å; N126-T158 WeakPolarHBondContact CA-OG1 3.23Å; N126-T158 PolarHBondContact OD1-O 3.47Å; N126-T158 PolarHBondContact OD1-OG1 2.87Å; K127-T158 PolarHBondContact N-O 3.01Å; K127-T158 VanDerWaalsContact N-O 3.08Å; Q128-T158 WeakPolarHBondContact CG-O 3.25Å; Q128-T158 PolarHBondContact N-O 2.87Å; Q128-T158 VanDerWaalsContact N-O 3.15Å; Q156-T158 HydrophobicContact CB-CG2 4.45Å; Q156-T158 HydrophobicContact CG-CG2 3.91Å; T158-D164 VanDerWaalsContact CA-O 3.23Å; T158-D164 WeakPolarHBondContact CA-O 3.38Å; T158-D164 WeakPolarHBondContact CB-O 3.47Å; T158-L166 HydrophobicContact CG2-CD2 3.94Å
159	C	97.9	Very high	96	Very high	11 Å²	11	58.3 Å²	58.3	7%	0.074	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-125.5	104.2	163.7	177	0	0	0	0	108.4	D129 T161 S162 G163 D164	D129-C159 VanDerWaalsContact CG-SG 3.6Å; D129-C159 PolarHBondContact OD1-SG 2.7Å; D129-C159 VanDerWaalsContact OD1-SG 3.35Å; C159-T161 PolarHBondContact O-N 3.17Å; C159-T161 PolarHBondContact SG-OG1 3.35Å; C159-S162 VanDerWaalsContact CB-OG 3.29Å; C159-S162 WeakPolarHBondContact CB-OG 3.49Å; C159-S162 PolarHBondContact O-N 2.93Å; C159-S162 PolarHBondContact O-OG 3.45Å; C159-S162 PolarHBondContact SG-OG 2.87Å; C159-S162 VanDerWaalsContact SG-OG 3.34Å; C159-G163 CarbonylContact O-C 3.55Å; C159-G163 WeakPolarHBondContact O-CA 3.41Å; C159-G163 PolarHBondContact O-N 3.19Å; C159-D164 HydrophobicContact CB-CB 4.39Å; C159-D164 PolarHBondContact N-O 2.84Å; C159-D164 PolarHBondContact O-N 2.57Å
160	A	96.2	Very high	96.2	Very high	4 Å²	4	48 Å²	48	3%	0.033	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.1	-175.4	0	0	0	0	0	113.6	T32 I33 N126	T32-A160 HydrophobicContact CG2-CB 3.86Å; I33-A160 HydrophobicContact CD1-CB 4.36Å; I33-A160 HydrophobicContact CG1-CB 3.49Å; I33-A160 VanDerWaalsContact CG1-CB 3.49Å; N126-A160 WeakPolarHBondContact OD1-CB 3.23Å; N126-A160 PolarHBondContact OD1-N 3.46Å
161	T	94.7	Very high	96.3	Very high	61 Å²	61	41.1 Å²	41.1	37%	0.374	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-49.6	-178.8	50.5	0	0	0	0	111	T32 K36 I42 C159	T32-T161 HydrophobicContact CG2-CG2 4.36Å; K36-T161 WeakPolarHBondContact CE-O 3.3Å; K36-T161 PolarHBondContact NZ-O 2.98Å; I42-T161 WeakPolarHBondContact CD1-O 3.25Å; I42-T161 WeakPolarHBondContact CG1-O 3.47Å; C159-T161 PolarHBondContact O-N 3.17Å; C159-T161 PolarHBondContact SG-OG1 3.35Å
162	S	94.4	Very high	96.3	Very high	52 Å²	52	42.1 Å²	42.1	36%	0.364	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-34.5	175	62.7	0	0	0	0	112.1	K36 C159 D164	K36-S162 WeakPolarHBondContact CE-O 3.21Å; K36-S162 PolarHBondContact NZ-O 3.02Å; C159-S162 VanDerWaalsContact CB-OG 3.29Å; C159-S162 WeakPolarHBondContact CB-OG 3.49Å; C159-S162 PolarHBondContact O-N 2.93Å; C159-S162 PolarHBondContact O-OG 3.45Å; C159-S162 PolarHBondContact SG-OG 2.87Å; C159-S162 VanDerWaalsContact SG-OG 3.34Å; S162-D164 VanDerWaalsContact CB-OD2 3.32Å; S162-D164 WeakPolarHBondContact CB-OD2 3.41Å; S162-D164 WeakPolarHBondContact OG-CB 3.41Å; S162-D164 PolarHBondContact OG-N 2.97Å; S162-D164 PolarHBondContact OG-OD2 3.37Å
163	G	94.6	Very high	96.2	Very high	8 Å²	8	38.1 Å²	38.1	8%	0.082	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.2	0.5	-171.3	0	0	0	0	0	113.3	C159 G165 L166	C159-G163 CarbonylContact O-C 3.55Å; C159-G163 WeakPolarHBondContact O-CA 3.41Å; C159-G163 PolarHBondContact O-N 3.19Å; G163-G165 PolarHBondContact O-N 3.17Å; G163-L166 WeakPolarHBondContact O-CB 3.31Å; G163-L166 WeakPolarHBondContact O-CG 3.29Å; G163-L166 PolarHBondContact O-N 3.2Å
164	D	97.3	Very high	95.8	Very high	106 Å²	106	34.8 Å²	34.8	57%	0.567	18%	0.181	S	C	*	.	B	Isolated β-bridge	trans	-62.4	135.7	-177.2	-60.7	-33.6	0	0	0	111	T158 C159 S162 L166	T158-D164 VanDerWaalsContact CA-O 3.23Å; T158-D164 WeakPolarHBondContact CA-O 3.38Å; T158-D164 WeakPolarHBondContact CB-O 3.47Å; C159-D164 HydrophobicContact CB-CB 4.39Å; C159-D164 PolarHBondContact N-O 2.84Å; C159-D164 PolarHBondContact O-N 2.57Å; S162-D164 VanDerWaalsContact CB-OD2 3.32Å; S162-D164 WeakPolarHBondContact CB-OD2 3.41Å; S162-D164 WeakPolarHBondContact OG-CB 3.41Å; S162-D164 PolarHBondContact OG-N 2.97Å; S162-D164 PolarHBondContact OG-OD2 3.37Å; D164-L166 PolarHBondContact O-N 3.21Å
165	G	97.5	Very high	95.4	Very high	8 Å²	8	34 Å²	34	8%	0.082	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-15.2	179	0	0	0	0	0	115	Q156 G163 Y167 E168 G169	Q156-G165 WeakPolarHBondContact CG-O 3.42Å; G163-G165 PolarHBondContact O-N 3.17Å; G165-Y167 PolarHBondContact O-N 3.21Å; G165-E168 WeakPolarHBondContact CA-OE2 3.32Å; G165-E168 PolarHBondContact N-OE2 3.23Å; G165-G169 PolarHBondContact O-N 2.94Å; G165-G169 VanDerWaalsContact O-N 3.15Å
166	L	95.2	Very high	95.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-45.7	-176.1	-63	-174.9	0	0	0	111.3	I33 K36 L37 F124 T158 G163 D164 G169 L170	I33-L166 HydrophobicContact CD1-CD2 4.18Å; I33-L166 HydrophobicContact CG1-CD2 3.93Å; I33-L166 HydrophobicContact CG2-CD1 4.36Å; I33-L166 HydrophobicContact CG2-CD2 4.01Å; K36-L166 HydrophobicContact CB-CD1 4.21Å; K36-L166 HydrophobicContact CG-CD1 3.93Å; L37-L166 HydrophobicContact CD2-CB 4.22Å; L37-L166 HydrophobicContact CD2-CD1 4.36Å; L37-L166 HydrophobicContact CG-CD1 4.48Å; F124-L166 HydrophobicContact CE1-CD2 4.46Å; F124-L166 HydrophobicContact CE2-CD2 4.31Å; F124-L166 HydrophobicContact CZ-CD2 4.22Å; T158-L166 HydrophobicContact CG2-CD2 3.94Å; G163-L166 WeakPolarHBondContact O-CB 3.31Å; G163-L166 WeakPolarHBondContact O-CG 3.29Å; G163-L166 PolarHBondContact O-N 3.2Å; D164-L166 PolarHBondContact O-N 3.21Å; L166-G169 PolarHBondContact O-N 2.92Å; L166-L170 WeakPolarHBondContact O-CB 3.39Å; L166-L170 WeakPolarHBondContact O-CG 3.45Å; L166-L170 PolarHBondContact O-N 3.28Å
167	Y	93.3	Very high	94.6	Very high	103 Å²	103	34.2 Å²	34.2	40%	0.404	18%	0.184	S	C	.	.	H	α-helix	trans	-71.6	-34.7	-176.7	-66.1	-64.1	0	0	0	112.3	L37 Y58 G165 L170 D171	L37-Y167 HydrophobicContact CD2-CE1 4.2Å; Y58-Y167 HydrophobicContact CD2-CD1 4.01Å; Y58-Y167 HydrophobicContact CD2-CE1 4.24Å; Y58-Y167 AromaticContact CE2-CD1 3.36Å; Y58-Y167 HydrophobicContact CE2-CD1 3.36Å; Y58-Y167 AromaticContact CE2-CE1 3.94Å; Y58-Y167 HydrophobicContact CE2-CE1 3.94Å; Y58-Y167 HydrophobicContact CE2-CG 4.36Å; Y58-Y167 PolarHBondContact OH-O 3.35Å; G165-Y167 PolarHBondContact O-N 3.21Å; Y167-L170 PolarHBondContact O-N 3.47Å; Y167-D171 WeakPolarHBondContact O-CB 3.18Å; Y167-D171 PolarHBondContact O-N 3.48Å
168	E	95.9	Very high	93.8	Very high	107 Å²	107	36.9 Å²	36.9	50%	0.5	19%	0.189	S	C	.	.	H	α-helix	trans	-62.8	-46.4	175.3	-66.1	83.2	168.7	0	0	110.8	G165 D171 W172	G165-E168 WeakPolarHBondContact CA-OE2 3.32Å; G165-E168 PolarHBondContact N-OE2 3.23Å; E168-D171 PolarHBondContact O-N 3.26Å; E168-W172 PolarHBondContact O-N 3.13Å
169	G	96.6	Very high	92.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.2	-42.7	175.7	0	0	0	0	0	112.3	L122 G165 L166 W172 L173	L122-G169 WeakPolarHBondContact CD2-O 3.45Å; G165-G169 PolarHBondContact O-N 2.94Å; G165-G169 VanDerWaalsContact O-N 3.15Å; L166-G169 PolarHBondContact O-N 2.92Å; G169-W172 PolarHBondContact O-N 3.34Å; G169-L173 WeakPolarHBondContact O-CB 3.48Å; G169-L173 PolarHBondContact O-N 2.62Å
170	L	93.1	Very high	91.2	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-68.1	-33.7	176.6	-72.9	-179.1	0	0	0	113.2	L37 Y58 F63 I89 L166 Y167 L173 A174	L37-L170 HydrophobicContact CD1-CD1 3.75Å; L37-L170 HydrophobicContact CD2-CD1 3.4Å; L37-L170 HydrophobicContact CG-CD1 4.2Å; Y58-L170 HydrophobicContact CD1-CB 4.05Å; Y58-L170 HydrophobicContact CE1-CB 3.97Å; Y58-L170 HydrophobicContact CG-CD1 4.5Å; F63-L170 HydrophobicContact CE2-CD2 4.44Å; I89-L170 HydrophobicContact CD1-CD2 3.96Å; L166-L170 WeakPolarHBondContact O-CB 3.39Å; L166-L170 WeakPolarHBondContact O-CG 3.45Å; L166-L170 PolarHBondContact O-N 3.28Å; Y167-L170 PolarHBondContact O-N 3.47Å; L170-L173 HydrophobicContact CD2-CD2 4.4Å; L170-L173 PolarHBondContact O-N 3.45Å; L170-A174 WeakPolarHBondContact O-CB 3.17Å; L170-A174 PolarHBondContact O-N 2.88Å
171	D	93.1	Very high	89.1	Confident	49 Å²	49	58.4 Å²	58.4	26%	0.262	29%	0.286	S	S	.	.	H	α-helix	trans	-65.8	-44.7	175.1	-164.2	14.5	0	0	0	110.7	Y58 K59 Y167 E168 L173 A174 N175	Y58-D171 HydrophobicContact CE1-CB 4.47Å; K59-D171 IonicContact NZ-OD1 2.68Å; K59-D171 PolarHBondContact NZ-OD1 3.4Å; K59-D171 IonicContact NZ-OD2 3.13Å; K59-D171 PolarHBondContact NZ-OD2 2.82Å; Y167-D171 WeakPolarHBondContact O-CB 3.18Å; Y167-D171 PolarHBondContact O-N 3.48Å; E168-D171 PolarHBondContact O-N 3.26Å; D171-L173 PolarHBondContact O-N 3.05Å; D171-A174 PolarHBondContact O-N 2.95Å; D171-N175 WeakPolarHBondContact O-CB 3.28Å; D171-N175 VanDerWaalsContact O-CG 3.22Å; D171-N175 PolarHBondContact O-N 2.87Å; D171-N175 PolarHBondContact O-ND2 3.39Å; D171-N175 PolarHBondContact OD1-ND2 3.02Å; D171-N175 VanDerWaalsContact OD1-ND2 3.15Å
172	W	95.2	Very high	88.8	Confident	51 Å²	51	58.3 Å²	58.3	19%	0.193	28%	0.282	C	S	.	.	H	α-helix	trans	-56.2	-50.7	172.2	177.3	91.5	0	0	0	111.1	V120 L121 L122 W153 Y154 E168 G169 A174 N175 Q176	V120-W172 HydrophobicContact CG1-CH2 3.46Å; V120-W172 VanDerWaalsContact CG1-CH2 3.46Å; V120-W172 HydrophobicContact CG1-CZ2 4.47Å; V120-W172 HydrophobicContact CG1-CZ3 3.6Å; L121-W172 WeakPolarHBondContact O-CH2 3.35Å; L121-W172 WeakPolarHBondContact O-CZ3 3.1Å; L122-W172 HydrophobicContact CB-CZ3 4.21Å; L122-W172 HydrophobicContact CD1-CE3 4.18Å; L122-W172 HydrophobicContact CD1-CZ3 4.49Å; W153-W172 VanDerWaalsContact C-CH2 3.46Å; Y154-W172 HydrophobicContact CD1-CB 3.95Å; Y154-W172 AromaticContact CD1-CD2 3.8Å; Y154-W172 HydrophobicContact CD1-CD2 3.8Å; Y154-W172 HydrophobicContact CD1-CE3 4.09Å; Y154-W172 AromaticContact CD1-CG 3.7Å; Y154-W172 HydrophobicContact CD1-CG 3.7Å; Y154-W172 HydrophobicContact CE1-CB 4.24Å; Y154-W172 HydrophobicContact CE1-CG 4.34Å; Y154-W172 AromaticContact CG-CD2 3.8Å; Y154-W172 HydrophobicContact CG-CD2 3.8Å; Y154-W172 AromaticContact CG-CE2 3.91Å; Y154-W172 HydrophobicContact CG-CE3 4.24Å; Y154-W172 AromaticContact CG-CG 3.95Å; Y154-W172 HydrophobicContact CG-CG 3.95Å; Y154-W172 HydrophobicContact CG-CZ2 4.44Å; E168-W172 PolarHBondContact O-N 3.13Å; G169-W172 PolarHBondContact O-N 3.34Å; W172-A174 PolarHBondContact O-N 2.82Å; W172-N175 PolarHBondContact O-N 3.34Å; W172-Q176 HydrophobicContact CD2-CG 3.88Å; W172-Q176 HydrophobicContact CE3-CG 4.17Å; W172-Q176 HydrophobicContact CH2-CG 3.82Å; W172-Q176 HydrophobicContact CZ2-CG 3.49Å; W172-Q176 VanDerWaalsContact CZ2-CG 3.49Å; W172-Q176 HydrophobicContact CZ3-CG 4.14Å; W172-Q176 WeakPolarHBondContact O-CG 3.4Å; W172-Q176 PolarHBondContact O-N 2.73Å
173	L	93.4	Very high	88.5	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-46.3	-179	-178.3	62.1	0	0	0	111.5	I20 I89 V120 L122 G169 L170 D171 N175 Q176 L177	I20-L173 HydrophobicContact CD1-CD2 4.28Å; I20-L173 HydrophobicContact CG2-CD2 4.38Å; I89-L173 HydrophobicContact CD1-CD2 3.98Å; I89-L173 HydrophobicContact CG1-CD2 3.91Å; V120-L173 HydrophobicContact CB-CD1 4.02Å; V120-L173 HydrophobicContact CG1-CD1 3.76Å; L122-L173 HydrophobicContact CD2-CB 4.24Å; L122-L173 HydrophobicContact CD2-CD2 4.25Å; G169-L173 WeakPolarHBondContact O-CB 3.48Å; G169-L173 PolarHBondContact O-N 2.62Å; L170-L173 HydrophobicContact CD2-CD2 4.4Å; L170-L173 PolarHBondContact O-N 3.45Å; D171-L173 PolarHBondContact O-N 3.05Å; L173-N175 VanDerWaalsContact C-N 3.29Å; L173-N175 PolarHBondContact O-N 3Å; L173-Q176 PolarHBondContact O-N 2.77Å; L173-L177 HydrophobicContact CD1-CD1 4.06Å; L173-L177 HydrophobicContact CD1-CG 4.21Å; L173-L177 HydrophobicContact CG-CD1 3.95Å; L173-L177 HydrophobicContact CG-CG 4.46Å; L173-L177 VanDerWaalsContact O-CG 3.27Å; L173-L177 WeakPolarHBondContact O-CG 3.02Å; L173-L177 PolarHBondContact O-N 3.16Å
174	A	89.9	Confident	88.2	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-57.3	-41.9	176.7	0	0	0	0	0	112	I61 F63 L170 D171 W172 L177 K178	I61-A174 HydrophobicContact CD1-CB 3.65Å; F63-A174 HydrophobicContact CZ-CB 4.42Å; L170-A174 WeakPolarHBondContact O-CB 3.17Å; L170-A174 PolarHBondContact O-N 2.88Å; D171-A174 PolarHBondContact O-N 2.95Å; W172-A174 PolarHBondContact O-N 2.82Å; A174-L177 PolarHBondContact O-N 3.47Å; A174-K178 VanDerWaalsContact O-CG 3.3Å; A174-K178 WeakPolarHBondContact O-CG 3.47Å; A174-K178 PolarHBondContact O-N 2.75Å
175	N	90.9	Very high	87.7	Confident	67 Å²	67	58.8 Å²	58.8	36%	0.358	27%	0.272	S	S	.	.	H	α-helix	trans	-69.3	-39.1	178.4	-69.5	-35	0	0	0	112.1	D171 W172 L173 L177 K178 N179	D171-N175 WeakPolarHBondContact O-CB 3.28Å; D171-N175 VanDerWaalsContact O-CG 3.22Å; D171-N175 PolarHBondContact O-N 2.87Å; D171-N175 PolarHBondContact O-ND2 3.39Å; D171-N175 PolarHBondContact OD1-ND2 3.02Å; D171-N175 VanDerWaalsContact OD1-ND2 3.15Å; W172-N175 PolarHBondContact O-N 3.34Å; L173-N175 VanDerWaalsContact C-N 3.29Å; L173-N175 PolarHBondContact O-N 3Å; N175-L177 VanDerWaalsContact C-N 3.35Å; N175-L177 PolarHBondContact O-N 3.24Å; N175-K178 PolarHBondContact O-N 3.13Å; N175-N179 PolarHBondContact O-N 3.1Å; N175-N179 PolarHBondContact O-ND2 3.33Å
176	Q	92.1	Very high	87.1	Confident	48 Å²	48	62 Å²	62	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-42.2	174.1	-65.5	-51.9	-43.7	0	0	112.1	V120 W172 L173 N179 K180	V120-Q176 HydrophobicContact CG1-CB 3.83Å; V120-Q176 HydrophobicContact CG1-CG 4.11Å; V120-Q176 HydrophobicContact CG2-CB 4.17Å; W172-Q176 HydrophobicContact CD2-CG 3.88Å; W172-Q176 HydrophobicContact CE3-CG 4.17Å; W172-Q176 HydrophobicContact CH2-CG 3.82Å; W172-Q176 HydrophobicContact CZ2-CG 3.49Å; W172-Q176 VanDerWaalsContact CZ2-CG 3.49Å; W172-Q176 HydrophobicContact CZ3-CG 4.14Å; W172-Q176 WeakPolarHBondContact O-CG 3.4Å; W172-Q176 PolarHBondContact O-N 2.73Å; L173-Q176 PolarHBondContact O-N 2.77Å; Q176-N179 PolarHBondContact O-N 2.91Å; Q176-K180 PolarHBondContact O-N 2.65Å
177	L	88	Confident	86.5	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-74.8	-26	-177.9	-63.9	174.9	0	0	0	113.6	M18 I20 F63 Q86 V120 L173 A174 N175 N179	M18-L177 HydrophobicContact CE-CB 3.84Å; M18-L177 HydrophobicContact SD-CB 4.49Å; I20-L177 HydrophobicContact CD1-CD1 3.59Å; F63-L177 HydrophobicContact CE1-CD1 4.15Å; Q86-L177 HydrophobicContact CB-CD2 4.05Å; Q86-L177 VanDerWaalsContact O-CD2 3.28Å; Q86-L177 WeakPolarHBondContact O-CD2 3.3Å; V120-L177 HydrophobicContact CB-CD2 4.18Å; V120-L177 HydrophobicContact CG2-CD2 3.8Å; L173-L177 HydrophobicContact CD1-CD1 4.06Å; L173-L177 HydrophobicContact CD1-CG 4.21Å; L173-L177 HydrophobicContact CG-CD1 3.95Å; L173-L177 HydrophobicContact CG-CG 4.46Å; L173-L177 VanDerWaalsContact O-CG 3.27Å; L173-L177 WeakPolarHBondContact O-CG 3.02Å; L173-L177 PolarHBondContact O-N 3.16Å; A174-L177 PolarHBondContact O-N 3.47Å; N175-L177 VanDerWaalsContact C-N 3.35Å; N175-L177 PolarHBondContact O-N 3.24Å; L177-N179 VanDerWaalsContact C-N 3.29Å
178	K	82	Confident	86	Confident	91 Å²	91	63.5 Å²	63.5	40%	0.396	30%	0.296	S	S	.	.	H	α-helix	trans	-65.2	-34.7	170.3	-79.5	172.9	-178	179.5	0	112.3	N60 I61 A174 N175	N60-K178 WeakPolarHBondContact OD1-CE 3.11Å; N60-K178 PolarHBondContact OD1-NZ 3.08Å; I61-K178 HydrophobicContact CD1-CG 4.44Å; A174-K178 VanDerWaalsContact O-CG 3.3Å; A174-K178 WeakPolarHBondContact O-CG 3.47Å; A174-K178 PolarHBondContact O-N 2.75Å; N175-K178 PolarHBondContact O-N 3.13Å
179	N	74.1	Confident	85.3	Confident	126 Å²	126	60.2 Å²	60.2	67%	0.674	28%	0.28	S	S	*	.	H	α-helix	trans	-82.1	-17	-176.8	-65.6	-23.4	0	0	0	113	N175 Q176 L177 K181	N175-N179 PolarHBondContact O-N 3.1Å; N175-N179 PolarHBondContact O-ND2 3.33Å; Q176-N179 PolarHBondContact O-N 2.91Å; L177-N179 VanDerWaalsContact C-N 3.29Å; N179-K181 PolarHBondContact O-N 3.38Å
180	K	68.5	Low	84.3	Confident	75 Å²	75	65.2 Å²	65.2	33%	0.326	30%	0.303	S	S	.	.			trans	-77.4	110	169.7	-79.8	-158.8	166.7	-152.6	0	110	K16 D118 V120 Q176	K16-K180 PolarHBondContact NZ-O 3.19Å; D118-K180 PolarHBondContact O-NZ 3.24Å; D118-K180 IonicContact OD1-NZ 3.5Å; V120-K180 HydrophobicContact CG2-CD 4.31Å; Q176-K180 PolarHBondContact O-N 2.65Å
181	K	51.5	Low	83.5	Confident	268 Å²	268	70.8 Å²	70.8	100%	1.165	33%	0.329	S	S	*	.			trans	-67.8	0	172.5	-77.4	-173.8	176.1	-178.7	0	110.6	N179	N179-K181 PolarHBondContact O-N 3.38Å

Retrieved 181 of 181 residues in 227 ms (Link to these results)

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