G4VDJ6_SCHMA Loading...

ADP-ribosylation factor

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

AlphaFold DB , UniProt , Accession G4VDJ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 181 aa.

Structure Viewer

Loading PAE data...

(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	41	Very low	46	Very low	237 Å²	237	130.3 Å²	130.3	100%	1.167	70%	0.7	S	S	*	*				0	100	0	-73.2	-164.2	-75.8	0	0	107.8	L3	M1-L3 PolarHBondContact O-N 2.65Å; M1-L3 VanDerWaalsContact O-N 3.16Å
2	G	39	Very low	46.3	Very low	82 Å²	82	130.4 Å²	130.4	85%	0.845	70%	0.699	S	S	*	*			trans	-74.6	101.2	-173.1	0	0	0	0	0	110.9	T4	G2-T4 PolarHBondContact O-N 3.12Å
3	L	37.4	Very low	47	Very low	163 Å²	163	131.5 Å²	131.5	85%	0.853	69%	0.694	S	S	*	*			trans	-70.6	114.6	171.1	-73.3	164.4	0	0	0	108.3	M1 I5	M1-L3 PolarHBondContact O-N 2.65Å; M1-L3 VanDerWaalsContact O-N 3.16Å; L3-I5 PolarHBondContact O-N 3.11Å; L3-I5 VanDerWaalsContact O-N 3.13Å
4	T	44.6	Very low	48.1	Very low	83 Å²	83	127.1 Å²	127.1	51%	0.509	70%	0.695	S	S	.	*			trans	-46.6	105.8	178.3	35.2	0	0	0	0	113	G2 S6 S7	G2-T4 PolarHBondContact O-N 3.12Å; T4-S6 PolarHBondContact O-N 2.64Å; T4-S7 PolarHBondContact O-N 3.35Å; T4-S7 PolarHBondContact O-OG 3.18Å; T4-S7 VanDerWaalsContact O-OG 3.13Å; T4-S7 PolarHBondContact OG1-OG 3.15Å
5	I	50.5	Low	49.5	Very low	142 Å²	142	125.2 Å²	125.2	73%	0.728	68%	0.678	S	S	*	*	H	α-helix	trans	-58	-26.6	170.6	-65.1	172	0	0	0	111.2	L3 S7 V8 F9	L3-I5 PolarHBondContact O-N 3.11Å; L3-I5 VanDerWaalsContact O-N 3.13Å; I5-S7 PolarHBondContact O-N 2.97Å; I5-V8 PolarHBondContact O-N 3.02Å; I5-F9 PolarHBondContact O-N 3.45Å; I5-F9 VanDerWaalsContact O-N 3.12Å
6	S	51.6	Low	51.4	Low	80 Å²	80	122.6 Å²	122.6	56%	0.559	66%	0.658	S	S	*	*	H	α-helix	trans	-63.6	-39	-179.8	51.1	0	0	0	0	114.3	T4 Q10	T4-S6 PolarHBondContact O-N 2.64Å; S6-Q10 PolarHBondContact O-N 3.3Å
7	S	47.1	Very low	53.2	Low	58 Å²	58	120.1 Å²	120.1	41%	0.406	65%	0.652	S	S	.	*	H	α-helix	trans	-78.3	-25.6	-177.4	57.3	0	0	0	0	113.2	T4 I5	T4-S7 PolarHBondContact O-N 3.35Å; T4-S7 PolarHBondContact O-OG 3.18Å; T4-S7 VanDerWaalsContact O-OG 3.13Å; T4-S7 PolarHBondContact OG1-OG 3.15Å; I5-S7 PolarHBondContact O-N 2.97Å
8	V	52.1	Low	55.2	Low	90 Å²	90	113.8 Å²	113.8	55%	0.545	62%	0.618	S	S	.	*	H	α-helix	trans	-77.2	-38.3	173.3	-179.9	0	0	0	0	110.7	I5 Q10 R11 L12	I5-V8 PolarHBondContact O-N 3.02Å; V8-Q10 PolarHBondContact O-N 2.9Å; V8-R11 PolarHBondContact O-N 3.21Å; V8-R11 VanDerWaalsContact O-N 3.16Å; V8-L12 HydrophobicContact CG1-CD1 4.17Å; V8-L12 PolarHBondContact O-N 3.38Å
9	F	46.6	Very low	57.1	Low	123 Å²	123	110.2 Å²	110.2	54%	0.539	59%	0.594	S	S	.	*	H	α-helix	trans	-66.3	-35.6	178.6	-147.6	-102.4	0	0	0	112.6	I5 R11 L12 F13	I5-F9 PolarHBondContact O-N 3.45Å; I5-F9 VanDerWaalsContact O-N 3.12Å; F9-R11 VanDerWaalsContact C-N 3.28Å; F9-R11 PolarHBondContact O-N 3.12Å; F9-L12 PolarHBondContact O-N 3.34Å; F9-F13 AromaticContact CD1-CD2 3.93Å; F9-F13 HydrophobicContact CD1-CD2 3.93Å; F9-F13 AromaticContact CD1-CE2 3.86Å; F9-F13 HydrophobicContact CD1-CE2 3.86Å; F9-F13 AromaticContact CE1-CD2 3.78Å; F9-F13 HydrophobicContact CE1-CD2 3.78Å; F9-F13 AromaticContact CE1-CE2 3.23Å; F9-F13 HydrophobicContact CE1-CE2 3.23Å; F9-F13 HydrophobicContact CE1-CZ 4.11Å; F9-F13 HydrophobicContact CE2-CE2 4.38Å; F9-F13 HydrophobicContact CZ-CD2 4.4Å; F9-F13 AromaticContact CZ-CE2 3.55Å; F9-F13 HydrophobicContact CZ-CE2 3.55Å; F9-F13 HydrophobicContact CZ-CZ 4.34Å; F9-F13 PolarHBondContact O-N 2.85Å
10	Q	49.1	Very low	58.8	Low	144 Å²	144	104.7 Å²	104.7	67%	0.673	57%	0.565	S	S	*	*	H	α-helix	trans	-66.1	-24.5	173.1	-97.9	-179.3	-20	0	0	114.2	S6 V8	S6-Q10 PolarHBondContact O-N 3.3Å; V8-Q10 PolarHBondContact O-N 2.9Å
11	R	47.4	Very low	60.5	Low	231 Å²	231	99.7 Å²	99.7	87%	0.872	54%	0.538	S	S	*	.	H	α-helix	trans	-83.4	-21.2	174.8	-78.6	-177.4	172.9	176.3	-1.7	113.3	V8 F9	V8-R11 PolarHBondContact O-N 3.21Å; V8-R11 VanDerWaalsContact O-N 3.16Å; F9-R11 VanDerWaalsContact C-N 3.28Å; F9-R11 PolarHBondContact O-N 3.12Å
12	L	49	Very low	63	Low	132 Å²	132	88.4 Å²	88.4	69%	0.691	48%	0.482	S	S	*	.	H	α-helix	trans	-86.3	-25.2	-179.9	-78.8	163	0	0	0	113	V8 F9	V8-L12 HydrophobicContact CG1-CD1 4.17Å; V8-L12 PolarHBondContact O-N 3.38Å; F9-L12 PolarHBondContact O-N 3.34Å
13	F	56.2	Low	65.6	Low	145 Å²	145	84.5 Å²	84.5	64%	0.636	44%	0.442	S	S	*	.	S	Bend	trans	-87.9	109.9	169.1	-81.7	-96	0	0	0	109.2	F9	F9-F13 AromaticContact CD1-CD2 3.93Å; F9-F13 HydrophobicContact CD1-CD2 3.93Å; F9-F13 AromaticContact CD1-CE2 3.86Å; F9-F13 HydrophobicContact CD1-CE2 3.86Å; F9-F13 AromaticContact CE1-CD2 3.78Å; F9-F13 HydrophobicContact CE1-CD2 3.78Å; F9-F13 AromaticContact CE1-CE2 3.23Å; F9-F13 HydrophobicContact CE1-CE2 3.23Å; F9-F13 HydrophobicContact CE1-CZ 4.11Å; F9-F13 HydrophobicContact CE2-CE2 4.38Å; F9-F13 HydrophobicContact CZ-CD2 4.4Å; F9-F13 AromaticContact CZ-CE2 3.55Å; F9-F13 HydrophobicContact CZ-CE2 3.55Å; F9-F13 HydrophobicContact CZ-CZ 4.34Å; F9-F13 PolarHBondContact O-N 2.85Å
14	G	61.9	Low	68.3	Low	69 Å²	69	76.7 Å²	76.7	71%	0.711	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-52.3	151.6	177.1	0	0	0	0	0	112.3	K16	G14-K16 PolarHBondContact O-N 3.24Å
15	K	69.3	Low	70.7	Confident	99 Å²	99	73.3 Å²	73.3	43%	0.43	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-54.5	128.8	178.2	-65.5	-174.5	-173.4	175.7	0	109.6	S17 E57 N60 N62	K15-S17 PolarHBondContact O-N 2.84Å; K15-E57 IonicContact NZ-OE1 2.8Å; K15-E57 PolarHBondContact NZ-OE1 3.44Å; K15-E57 IonicContact NZ-OE2 3.14Å; K15-E57 PolarHBondContact NZ-OE2 3.2Å; K15-N60 CarbonylContact C-O 3.57Å; K15-N60 WeakPolarHBondContact CA-O 3.43Å; K15-N62 WeakPolarHBondContact CD-OD1 3.42Å
16	K	79.1	Confident	72.7	Confident	83 Å²	83	68.5 Å²	68.5	36%	0.361	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117	178.5	-167.3	165.5	177.5	-179.6	0	108.2	G14 M18 N60 I61 N62 S181	G14-K16 PolarHBondContact O-N 3.24Å; K16-M18 HydrophobicContact CD-CE 3.62Å; K16-M18 HydrophobicContact CG-CE 4.02Å; K16-M18 HydrophobicContact CG-SD 4.48Å; K16-N60 PolarHBondContact N-O 3.12Å; K16-I61 WeakPolarHBondContact O-CA 3.41Å; K16-N62 PolarHBondContact O-N 2.93Å; K16-N62 VanDerWaalsContact O-N 3.08Å; K16-S181 VanDerWaalsContact NZ-CA 3.32Å
17	S	83.4	Confident	74.7	Confident	80 Å²	80	67.9 Å²	67.9	56%	0.559	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	126	173.6	-64.1	0	0	0	0	109.6	K15	K15-S17 PolarHBondContact O-N 2.84Å
18	M	88.6	Confident	77	Confident	7 Å²	7	65.2 Å²	65.2	3%	0.034	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.3	176.8	-63.9	-73.4	-162.4	0	0	109	K16 I20 I61 N62 F63 T64 Q86 L177	K16-M18 HydrophobicContact CD-CE 3.62Å; K16-M18 HydrophobicContact CG-CE 4.02Å; K16-M18 HydrophobicContact CG-SD 4.48Å; M18-I20 HydrophobicContact CB-CD1 4.46Å; M18-I61 HydrophobicContact CB-CG2 3.7Å; M18-I61 HydrophobicContact CG-CG2 3.51Å; M18-N62 PolarHBondContact N-O 3.18Å; M18-F63 HydrophobicContact CB-CD1 4.4Å; M18-F63 WeakPolarHBondContact O-CA 3.11Å; M18-T64 PolarHBondContact O-N 3.14Å; M18-T64 VanDerWaalsContact O-N 3.1Å; M18-Q86 VanDerWaalsContact CA-OE1 3.27Å; M18-Q86 HydrophobicContact SD-CB 4.49Å; M18-Q86 VanDerWaalsContact SD-CD 3.59Å; M18-Q86 PolarHBondContact SD-NE2 2.95Å; M18-L177 HydrophobicContact CE-CB 4.18Å
19	R	91.3	Very high	79.1	Confident	45 Å²	45	61.5 Å²	61.5	17%	0.17	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	117.5	176.9	-171.6	168.5	-176.2	-78.3	-10.3	109.6	Y81 Q83 N84 T85 Q86 G87	R19-Y81 VanDerWaalsContact CZ-O 3.29Å; R19-Y81 PolarHBondContact NH1-O 3.15Å; R19-Y81 PolarHBondContact NH2-O 2.92Å; R19-Q83 PolarHBondContact NH1-O 3Å; R19-N84 WeakPolarHBondContact CB-O 3.33Å; R19-T85 PolarHBondContact NH1-OG1 2.94Å; R19-Q86 PolarHBondContact O-N 2.98Å; R19-G87 PolarHBondContact O-N 2.97Å
20	I	91.9	Very high	81.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.2	-179.8	-54.2	-58.8	0	0	0	109.2	M18 F63 T64 V65 W66 G87 I89 L173 L177	M18-I20 HydrophobicContact CB-CD1 4.46Å; I20-F63 HydrophobicContact CD1-CD1 3.82Å; I20-F63 HydrophobicContact CD1-CE1 4.09Å; I20-F63 HydrophobicContact CG1-CB 3.93Å; I20-F63 HydrophobicContact CG1-CD1 3.26Å; I20-F63 HydrophobicContact CG1-CE1 3.99Å; I20-F63 HydrophobicContact CG1-CG 3.92Å; I20-T64 CarbonylContact C-O 3.57Å; I20-T64 PolarHBondContact N-O 3.21Å; I20-V65 HydrophobicContact CB-CG2 4.48Å; I20-V65 WeakPolarHBondContact O-CA 3.26Å; I20-W66 PolarHBondContact O-N 3.4Å; I20-G87 VanDerWaalsContact CA-O 3.3Å; I20-G87 WeakPolarHBondContact CA-O 3.45Å; I20-I89 HydrophobicContact CG2-CB 4.49Å; I20-I89 HydrophobicContact CG2-CD1 3.7Å; I20-I89 HydrophobicContact CG2-CG1 3.68Å; I20-L173 HydrophobicContact CD1-CD2 4.32Å; I20-L173 HydrophobicContact CG2-CD2 4.47Å; I20-L177 HydrophobicContact CD1-CD1 3.7Å
21	L	92.9	Very high	83.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.3	174.1	-175	55.7	0	0	0	108.7	I23 W66 V68 F82 T85 G87 L88 I89	L21-I23 HydrophobicContact CD1-CD1 3.73Å; L21-I23 HydrophobicContact CD1-CG1 3.92Å; L21-I23 HydrophobicContact CD2-CD1 3.5Å; L21-I23 HydrophobicContact CD2-CG1 4.33Å; L21-I23 HydrophobicContact CG-CD1 3.51Å; L21-I23 HydrophobicContact CG-CG1 3.79Å; L21-W66 HydrophobicContact CD1-CB 3.79Å; L21-V68 HydrophobicContact CD1-CG2 4.12Å; L21-F82 HydrophobicContact CD2-CD1 3.5Å; L21-F82 HydrophobicContact CD2-CE1 3.81Å; L21-T85 HydrophobicContact CB-CG2 3.69Å; L21-G87 PolarHBondContact N-O 2.69Å; L21-L88 HydrophobicContact CB-CD1 4.11Å; L21-L88 HydrophobicContact CD2-CD1 4.25Å; L21-L88 HydrophobicContact CG-CD1 4.11Å; L21-L88 CarbonylContact O-C 3.5Å; L21-L88 WeakPolarHBondContact O-CA 3.3Å; L21-I89 PolarHBondContact O-N 2.72Å
22	M	94.2	Very high	85.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	110.7	174.9	-175.3	-177.9	-69.5	0	0	109.8	K30 I33 V65 W66 I89 V91	M22-K30 HydrophobicContact CG-CB 4.17Å; M22-K30 HydrophobicContact CG-CD 4.39Å; M22-K30 HydrophobicContact CG-CG 4.2Å; M22-K30 HydrophobicContact SD-CB 3.89Å; M22-K30 HydrophobicContact SD-CG 4.47Å; M22-K30 VanDerWaalsContact SD-O 3.41Å; M22-I33 HydrophobicContact CE-CB 4.46Å; M22-I33 HydrophobicContact CE-CG2 3.78Å; M22-I33 HydrophobicContact SD-CB 4.47Å; M22-I33 HydrophobicContact SD-CG2 4.4Å; M22-V65 HydrophobicContact CB-CG1 3.51Å; M22-V65 HydrophobicContact CE-CG1 3.87Å; M22-V65 HydrophobicContact CG-CG1 4.44Å; M22-V65 HydrophobicContact SD-CG1 4.19Å; M22-W66 CarbonylContact C-O 3.48Å; M22-W66 PolarHBondContact N-O 2.82Å; M22-I89 CarbonylContact C-O 3.52Å; M22-I89 VanDerWaalsContact CA-O 3.32Å; M22-I89 WeakPolarHBondContact CA-O 3.33Å; M22-I89 HydrophobicContact CB-CB 4.36Å; M22-I89 HydrophobicContact CE-CB 4.48Å; M22-I89 HydrophobicContact CE-CD1 4.01Å; M22-I89 HydrophobicContact CE-CG2 4.17Å; M22-I89 HydrophobicContact CG-CB 4.23Å; M22-I89 HydrophobicContact CG-CG2 4.15Å; M22-V91 HydrophobicContact CG-CG2 3.91Å; M22-V91 HydrophobicContact SD-CG2 4.27Å
23	I	93.5	Very high	87.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	161.2	-172.8	-75	-177.8	0	0	0	110.4	L21 K30 V68 W78 F82 L88 I89 F90 V91 M110	L21-I23 HydrophobicContact CD1-CD1 3.73Å; L21-I23 HydrophobicContact CD1-CG1 3.92Å; L21-I23 HydrophobicContact CD2-CD1 3.5Å; L21-I23 HydrophobicContact CD2-CG1 4.33Å; L21-I23 HydrophobicContact CG-CD1 3.51Å; L21-I23 HydrophobicContact CG-CG1 3.79Å; I23-K30 VanDerWaalsContact C-CD 3.49Å; I23-V68 HydrophobicContact CD1-CG2 4.43Å; I23-V68 HydrophobicContact CG1-CB 4.35Å; I23-V68 HydrophobicContact CG1-CG2 4.19Å; I23-W78 HydrophobicContact CD1-CB 3.95Å; I23-W78 HydrophobicContact CD1-CD2 3.96Å; I23-W78 HydrophobicContact CD1-CE3 4.21Å; I23-W78 HydrophobicContact CD1-CG 3.86Å; I23-W78 HydrophobicContact CG1-CD2 4.49Å; I23-W78 HydrophobicContact CG2-CD2 3.72Å; I23-W78 HydrophobicContact CG2-CE3 3.46Å; I23-W78 VanDerWaalsContact CG2-CE3 3.46Å; I23-W78 HydrophobicContact CG2-CH2 3.43Å; I23-W78 VanDerWaalsContact CG2-CH2 3.43Å; I23-W78 HydrophobicContact CG2-CZ2 3.67Å; I23-W78 HydrophobicContact CG2-CZ3 3.3Å; I23-F82 HydrophobicContact CD1-CE1 4.19Å; I23-L88 HydrophobicContact CB-CD1 4.41Å; I23-I89 PolarHBondContact N-O 2.92Å; I23-F90 HydrophobicContact CG2-CD2 4.3Å; I23-F90 HydrophobicContact CG2-CE2 4.19Å; I23-F90 CarbonylContact O-C 3.6Å; I23-F90 VanDerWaalsContact O-CA 3.29Å; I23-F90 WeakPolarHBondContact O-CA 3.23Å; I23-V91 PolarHBondContact O-N 3.35Å; I23-M110 HydrophobicContact CB-SD 4.31Å; I23-M110 HydrophobicContact CD1-SD 3.98Å; I23-M110 HydrophobicContact CG2-CE 3.96Å; I23-M110 HydrophobicContact CG2-SD 3.67Å
24	G	94.8	Very high	89.5	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.168	C	C	.	.			trans	158.1	169.1	-176.9	0	0	0	0	0	109.3	K30 V91	G24-K30 PolarHBondContact O-NZ 3.2Å; G24-V91 WeakPolarHBondContact CA-O 3.27Å
25	L	94.2	Very high	90.9	Very high	11 Å²	11	26.3 Å²	26.3	6%	0.058	14%	0.144	C	C	.	.	S	Bend	trans	-60.9	164.6	178	-50.8	-172.4	0	0	0	111.6	A28 K30 R99 E102 E106	L25-A28 VanDerWaalsContact O-CB 3.29Å; L25-A28 WeakPolarHBondContact O-CB 3.25Å; L25-A28 PolarHBondContact O-N 3.45Å; L25-K30 PolarHBondContact O-NZ 3.48Å; L25-R99 HydrophobicContact CD1-CB 3.79Å; L25-R99 WeakPolarHBondContact CD1-O 3.33Å; L25-E102 HydrophobicContact CD1-CB 4.34Å; L25-E102 HydrophobicContact CD1-CG 4.25Å; L25-E102 HydrophobicContact CD2-CG 4.26Å; L25-E106 HydrophobicContact CD2-CG 4.2Å
26	D	92.1	Very high	92	Very high	42 Å²	42	23.4 Å²	23.4	23%	0.225	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	153.1	169.8	57.5	-77.7	0	0	0	110.9	A28 G70 Q71 R75 R99	D26-A28 PolarHBondContact O-N 2.96Å; D26-G70 PolarHBondContact N-O 2.82Å; D26-Q71 HydrophobicContact CB-CG 4.05Å; D26-R75 IonicContact OD1-NH2 3.3Å; D26-R99 IonicContact OD1-NH1 2.69Å; D26-R99 PolarHBondContact OD1-NH1 3Å; D26-R99 IonicContact OD2-CZ 3.83Å; D26-R99 IonicContact OD2-NH1 3.89Å; D26-R99 PolarHBondContact OD2-NH1 3.42Å; D26-R99 IonicContact OD2-NH2 3.9Å
27	A	93.6	Very high	92.5	Very high	66 Å²	66	20.5 Å²	20.5	55%	0.545	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	1.1	-175.3	0	0	0	0	0	116.5	G29 K127	A27-G29 PolarHBondContact O-N 3.3Å; A27-G29 VanDerWaalsContact O-N 3.16Å; A27-K127 WeakPolarHBondContact O-CE 3.47Å; A27-K127 PolarHBondContact O-NZ 3.25Å
28	A	96.3	Very high	92.7	Very high	2 Å²	2	21 Å²	21	2%	0.017	11%	0.112	C	C	.	.	S	Bend	trans	-63.7	-19.5	177.4	0	0	0	0	0	114.4	L25 D26 V91 N126	L25-A28 VanDerWaalsContact O-CB 3.29Å; L25-A28 WeakPolarHBondContact O-CB 3.25Å; L25-A28 PolarHBondContact O-N 3.45Å; D26-A28 PolarHBondContact O-N 2.96Å; A28-V91 HydrophobicContact CB-CB 4.38Å; A28-V91 HydrophobicContact CB-CG1 4.1Å; A28-V91 WeakPolarHBondContact CB-O 3.49Å; A28-V91 WeakPolarHBondContact O-CG1 3.34Å; A28-N126 PolarHBondContact O-ND2 3.43Å
29	G	95.5	Very high	92.8	Very high	13 Å²	13	25 Å²	25	13%	0.134	13%	0.133	C	C	.	.	S	Bend	trans	102.2	17.6	175.2	0	0	0	0	0	115.6	A27 T31 T32 I33	A27-G29 PolarHBondContact O-N 3.3Å; A27-G29 VanDerWaalsContact O-N 3.16Å; G29-T31 PolarHBondContact O-N 2.95Å; G29-T32 WeakPolarHBondContact O-CB 3.47Å; G29-T32 PolarHBondContact O-N 2.97Å; G29-I33 WeakPolarHBondContact O-CG1 3.35Å; G29-I33 PolarHBondContact O-N 2.8Å
30	K	93.7	Very high	92.5	Very high	10 Å²	10	25.2 Å²	25.2	4%	0.043	15%	0.15	C	C	.	.	H	α-helix	trans	-52.6	-55.3	178.7	-60.4	-175.4	-61.8	-77.1	0	113.3	M22 I23 G24 L25 T32 I33 L34 D67 V68 V91	M22-K30 HydrophobicContact CG-CB 4.17Å; M22-K30 HydrophobicContact CG-CD 4.39Å; M22-K30 HydrophobicContact CG-CG 4.2Å; M22-K30 HydrophobicContact SD-CB 3.89Å; M22-K30 HydrophobicContact SD-CG 4.47Å; M22-K30 VanDerWaalsContact SD-O 3.41Å; I23-K30 VanDerWaalsContact C-CD 3.49Å; G24-K30 PolarHBondContact O-NZ 3.2Å; L25-K30 PolarHBondContact O-NZ 3.48Å; K30-T32 VanDerWaalsContact C-N 3.26Å; K30-T32 PolarHBondContact O-N 3.36Å; K30-I33 WeakPolarHBondContact O-CB 3.44Å; K30-I33 PolarHBondContact O-N 3.12Å; K30-I33 VanDerWaalsContact O-N 3.15Å; K30-L34 WeakPolarHBondContact O-CB 3.35Å; K30-L34 PolarHBondContact O-N 3.32Å; K30-D67 WeakPolarHBondContact CB-OD1 3.41Å; K30-D67 WeakPolarHBondContact CE-OD1 3.15Å; K30-V68 WeakPolarHBondContact CE-O 3.2Å; K30-V91 HydrophobicContact CG-CB 3.8Å; K30-V91 HydrophobicContact CG-CG1 4.4Å; K30-V91 HydrophobicContact CG-CG2 3.81Å
31	T	91.6	Very high	92.2	Very high	19 Å²	19	30.8 Å²	30.8	12%	0.117	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-36	179	-40.9	0	0	0	0	112	G29 L34 Y35 T45 T48 D67	G29-T31 PolarHBondContact O-N 2.95Å; T31-L34 PolarHBondContact O-N 3.43Å; T31-Y35 HydrophobicContact CG2-CD2 3.81Å; T31-Y35 HydrophobicContact CG2-CE2 3.57Å; T31-Y35 WeakPolarHBondContact O-CD2 3.49Å; T31-Y35 PolarHBondContact O-N 3.13Å; T31-T45 HydrophobicContact CG2-CG2 3.68Å; T31-T48 PolarHBondContact OG1-OG1 3.08Å; T31-D67 WeakPolarHBondContact CA-OD2 3.25Å; T31-D67 WeakPolarHBondContact CB-OD2 3.42Å; T31-D67 PolarHBondContact OG1-OD2 3.4Å
32	T	94.3	Very high	91.7	Very high	20 Å²	20	34.1 Å²	34.1	12%	0.123	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-46	174.9	-50.2	0	0	0	0	111.4	G29 K30 L34 Y35 K36 V42 A160 T161	G29-T32 WeakPolarHBondContact O-CB 3.47Å; G29-T32 PolarHBondContact O-N 2.97Å; K30-T32 VanDerWaalsContact C-N 3.26Å; K30-T32 PolarHBondContact O-N 3.36Å; T32-L34 VanDerWaalsContact C-N 3.32Å; T32-L34 PolarHBondContact O-N 3.01Å; T32-Y35 PolarHBondContact O-N 3.39Å; T32-K36 WeakPolarHBondContact O-CB 3.43Å; T32-K36 PolarHBondContact O-N 3.27Å; T32-V42 HydrophobicContact CG2-CG1 4.2Å; T32-A160 HydrophobicContact CG2-CB 3.76Å; T32-T161 HydrophobicContact CG2-CG2 4.35Å
33	I	94.7	Very high	91.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-47	174.8	-69.1	173.8	0	0	0	110	M22 G29 K30 Y35 K36 L37 V91 F124 A160 L166	M22-I33 HydrophobicContact CE-CB 4.46Å; M22-I33 HydrophobicContact CE-CG2 3.78Å; M22-I33 HydrophobicContact SD-CB 4.47Å; M22-I33 HydrophobicContact SD-CG2 4.4Å; G29-I33 WeakPolarHBondContact O-CG1 3.35Å; G29-I33 PolarHBondContact O-N 2.8Å; K30-I33 WeakPolarHBondContact O-CB 3.44Å; K30-I33 PolarHBondContact O-N 3.12Å; K30-I33 VanDerWaalsContact O-N 3.15Å; I33-Y35 PolarHBondContact O-N 3.42Å; I33-K36 PolarHBondContact O-N 3.16Å; I33-L37 HydrophobicContact CG2-CD1 3.71Å; I33-L37 HydrophobicContact CG2-CG 4.32Å; I33-L37 WeakPolarHBondContact O-CB 3.49Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 3.17Å; I33-V91 HydrophobicContact CD1-CG1 3.67Å; I33-V91 HydrophobicContact CD1-CG2 3.96Å; I33-F124 HydrophobicContact CD1-CB 4.28Å; I33-F124 HydrophobicContact CD1-CD2 3.96Å; I33-F124 HydrophobicContact CD1-CG 4.29Å; I33-F124 HydrophobicContact CG2-CE2 4.32Å; I33-A160 HydrophobicContact CD1-CB 4.42Å; I33-A160 HydrophobicContact CG1-CB 3.49Å; I33-A160 VanDerWaalsContact CG1-CB 3.49Å; I33-L166 HydrophobicContact CD1-CD2 4.2Å; I33-L166 HydrophobicContact CG1-CD2 3.94Å; I33-L166 HydrophobicContact CG2-CD1 4.33Å; I33-L166 HydrophobicContact CG2-CD2 4.08Å
34	L	92.3	Very high	90.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-56.7	-51.5	-180	-178.4	59.1	0	0	0	112.1	K30 T31 T32 L37 K38 E54 V56 V65 D67	K30-L34 WeakPolarHBondContact O-CB 3.35Å; K30-L34 PolarHBondContact O-N 3.32Å; T31-L34 PolarHBondContact O-N 3.43Å; T32-L34 VanDerWaalsContact C-N 3.32Å; T32-L34 PolarHBondContact O-N 3.01Å; L34-L37 PolarHBondContact O-N 3.17Å; L34-K38 VanDerWaalsContact O-CB 3.24Å; L34-K38 WeakPolarHBondContact O-CB 3.44Å; L34-K38 PolarHBondContact O-N 3.32Å; L34-E54 HydrophobicContact CD1-CB 3.72Å; L34-E54 HydrophobicContact CD1-CG 4.25Å; L34-E54 HydrophobicContact CD2-CB 3.98Å; L34-E54 HydrophobicContact CD2-CG 3.63Å; L34-E54 HydrophobicContact CG-CB 4.02Å; L34-E54 HydrophobicContact CG-CG 3.97Å; L34-V56 HydrophobicContact CD1-CG2 3.78Å; L34-V65 HydrophobicContact CD1-CB 3.65Å; L34-V65 HydrophobicContact CD1-CG1 3.66Å; L34-V65 HydrophobicContact CD1-CG2 4.12Å; L34-D67 HydrophobicContact CD2-CB 3.89Å
35	Y	91.6	Very high	90	Very high	55 Å²	55	46.1 Å²	46.1	22%	0.216	27%	0.269	C	S	.	.	H	α-helix	trans	-71	-34.2	178.9	-73.8	-48.4	0	0	0	113	T31 T32 I33 L37 K38 L39 V43	T31-Y35 HydrophobicContact CG2-CD2 3.81Å; T31-Y35 HydrophobicContact CG2-CE2 3.57Å; T31-Y35 WeakPolarHBondContact O-CD2 3.49Å; T31-Y35 PolarHBondContact O-N 3.13Å; T32-Y35 PolarHBondContact O-N 3.39Å; I33-Y35 PolarHBondContact O-N 3.42Å; Y35-L37 VanDerWaalsContact C-N 3.3Å; Y35-L37 PolarHBondContact O-N 3.41Å; Y35-K38 PolarHBondContact O-N 2.96Å; Y35-L39 HydrophobicContact CD1-CD1 3.83Å; Y35-L39 HydrophobicContact CD1-CG 4.38Å; Y35-L39 HydrophobicContact CG-CD1 4.39Å; Y35-L39 WeakPolarHBondContact O-CB 3.47Å; Y35-L39 PolarHBondContact O-N 2.98Å; Y35-V43 HydrophobicContact CD2-CB 4.14Å; Y35-V43 HydrophobicContact CD2-CG2 4.48Å; Y35-V43 HydrophobicContact CG-CB 4.4Å; Y35-V43 HydrophobicContact CG-CG2 4.26Å
36	K	92.8	Very high	89.4	Confident	38 Å²	38	52.2 Å²	52.2	17%	0.165	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-42.8	174.1	-170	67.6	174.7	179.4	0	111.4	T32 I33 G40 E41 V42 A160 T161 L166	T32-K36 WeakPolarHBondContact O-CB 3.43Å; T32-K36 PolarHBondContact O-N 3.27Å; I33-K36 PolarHBondContact O-N 3.16Å; K36-G40 PolarHBondContact NZ-O 3.36Å; K36-G40 WeakPolarHBondContact O-CA 3.39Å; K36-G40 PolarHBondContact O-N 2.91Å; K36-E41 WeakPolarHBondContact CA-O 3.33Å; K36-V42 HydrophobicContact CD-CG2 4.17Å; K36-A160 WeakPolarHBondContact CG-O 3.25Å; K36-T161 PolarHBondContact NZ-O 2.78Å; K36-L166 HydrophobicContact CB-CD1 4.06Å; K36-L166 HydrophobicContact CG-CD1 3.86Å
37	L	89.7	Confident	88.9	Confident	23 Å²	23	54.8 Å²	54.8	12%	0.12	32%	0.32	C	S	.	.	H	α-helix	trans	-70.8	-36.7	176.5	-70.3	170.9	0	0	0	112.8	I33 L34 Y35 V56 L166 F167 L170	I33-L37 HydrophobicContact CG2-CD1 3.71Å; I33-L37 HydrophobicContact CG2-CG 4.32Å; I33-L37 WeakPolarHBondContact O-CB 3.49Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 3.17Å; L34-L37 PolarHBondContact O-N 3.17Å; Y35-L37 VanDerWaalsContact C-N 3.3Å; Y35-L37 PolarHBondContact O-N 3.41Å; L37-V56 HydrophobicContact CB-CG1 3.84Å; L37-V56 HydrophobicContact CB-CG2 4.25Å; L37-L166 HydrophobicContact CD2-CB 4.04Å; L37-L166 HydrophobicContact CD2-CD1 4.46Å; L37-L166 HydrophobicContact CG-CD1 4.42Å; L37-F167 HydrophobicContact CD2-CD1 4.33Å; L37-F167 HydrophobicContact CD2-CE1 4.07Å; L37-L170 HydrophobicContact CD1-CD1 3.79Å; L37-L170 HydrophobicContact CD1-CG 4.41Å; L37-L170 HydrophobicContact CD2-CD1 3.45Å; L37-L170 VanDerWaalsContact CD2-CD1 3.45Å; L37-L170 HydrophobicContact CD2-CG 4.38Å; L37-L170 HydrophobicContact CG-CD1 4.2Å
38	K	88.2	Confident	88.2	Confident	89 Å²	89	53 Å²	53	39%	0.387	30%	0.302	S	S	.	.	H	α-helix	trans	-78.8	-41.6	-176	-179.2	58.2	176.2	178.3	0	113.4	L34 Y35 T55 V56	L34-K38 VanDerWaalsContact O-CB 3.24Å; L34-K38 WeakPolarHBondContact O-CB 3.44Å; L34-K38 PolarHBondContact O-N 3.32Å; Y35-K38 PolarHBondContact O-N 2.96Å; K38-T55 WeakPolarHBondContact CD-O 3.36Å; K38-T55 WeakPolarHBondContact CE-O 3.4Å; K38-T55 PolarHBondContact NZ-O 3.09Å; K38-V56 HydrophobicContact CB-CG2 4.34Å
39	L	89.1	Confident	87.2	Confident	91 Å²	91	60.4 Å²	60.4	48%	0.476	34%	0.34	S	S	.	.	H	α-helix	trans	-114.8	-15.6	-168.3	-54.9	176.4	0	0	0	112.7	Y35 E41 V43	Y35-L39 HydrophobicContact CD1-CD1 3.83Å; Y35-L39 HydrophobicContact CD1-CG 4.38Å; Y35-L39 HydrophobicContact CG-CD1 4.39Å; Y35-L39 WeakPolarHBondContact O-CB 3.47Å; Y35-L39 PolarHBondContact O-N 2.98Å; L39-E41 HydrophobicContact CB-CG 3.9Å; L39-E41 PolarHBondContact O-N 3.13Å; L39-V43 HydrophobicContact CD1-CG2 3.93Å
40	G	86.4	Confident	86.4	Confident	51 Å²	51	60.6 Å²	60.6	53%	0.526	34%	0.342	S	S	.	.	S	Bend	trans	79	-7.9	-173.9	0	0	0	0	0	114.3	K36	K36-G40 PolarHBondContact NZ-O 3.36Å; K36-G40 WeakPolarHBondContact O-CA 3.39Å; K36-G40 PolarHBondContact O-N 2.91Å
41	E	85.1	Confident	85.8	Confident	117 Å²	117	65 Å²	65	55%	0.547	36%	0.361	S	S	.	.	S	Bend	trans	-118.9	164.5	-175.9	66.1	-175.7	170.8	0	0	113	K36 L39 V43	K36-E41 WeakPolarHBondContact CA-O 3.33Å; L39-E41 HydrophobicContact CB-CG 3.9Å; L39-E41 PolarHBondContact O-N 3.13Å; E41-V43 HydrophobicContact CG-CG2 4.4Å
42	V	82	Confident	85.1	Confident	70 Å²	70	66.1 Å²	66.1	42%	0.424	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-94.2	117.9	176.1	-175.9	0	0	0	0	108.5	T32 K36 T161	T32-V42 HydrophobicContact CG2-CG1 4.2Å; K36-V42 HydrophobicContact CD-CG2 4.17Å; V42-T161 HydrophobicContact CG1-CG2 4.29Å; V42-T161 WeakPolarHBondContact CG2-O 3.44Å
43	V	82.5	Confident	84.5	Confident	51 Å²	51	67.5 Å²	67.5	31%	0.309	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-98.8	136.8	174	-175.1	0	0	0	0	108.9	Y35 L39 E41 T45	Y35-V43 HydrophobicContact CD2-CB 4.14Å; Y35-V43 HydrophobicContact CD2-CG2 4.48Å; Y35-V43 HydrophobicContact CG-CB 4.4Å; Y35-V43 HydrophobicContact CG-CG2 4.26Å; L39-V43 HydrophobicContact CD1-CG2 3.93Å; E41-V43 HydrophobicContact CG-CG2 4.4Å; V43-T45 WeakPolarHBondContact O-CG2 3.5Å; V43-T45 PolarHBondContact O-N 3.27Å
44	T	81.6	Confident	84.1	Confident	142 Å²	142	69.9 Å²	69.9	87%	0.871	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-61.4	126.5	171	-56.9	0	0	0	0	109.4
45	T	82.3	Confident	83.8	Confident	58 Å²	58	72.5 Å²	72.5	36%	0.356	40%	0.402	S	S	.	.			trans	-110.2	149.2	-176.3	63.5	0	0	0	0	111.3	T31 V43	T31-T45 HydrophobicContact CG2-CG2 3.68Å; V43-T45 WeakPolarHBondContact O-CG2 3.5Å; V43-T45 PolarHBondContact O-N 3.27Å
46	I	81.2	Confident	83.5	Confident	140 Å²	140	70 Å²	70	72%	0.718	39%	0.393	S	S	*	.			trans	-108.1	159.6	165.2	59.4	171.1	0	0	0	108.6	T48	I46-T48 PolarHBondContact O-N 3.15Å; I46-T48 VanDerWaalsContact O-N 3.15Å
47	P	81.8	Confident	83.2	Confident	95 Å²	95	73.5 Å²	73.5	62%	0.617	41%	0.41	S	S	*	.			trans	-53.2	122.6	175.5	-27	35.2	0	0	0	112	I49	P47-I49 PolarHBondContact O-N 3.19Å
48	T	79	Confident	82.9	Confident	29 Å²	29	74 Å²	74	18%	0.178	41%	0.41	C	S	.	.			trans	-62.7	120.9	179.7	-47.7	0	0	0	0	110.7	T31 I46	T31-T48 PolarHBondContact OG1-OG1 3.08Å; I46-T48 PolarHBondContact O-N 3.15Å; I46-T48 VanDerWaalsContact O-N 3.15Å
49	I	76.3	Confident	82.5	Confident	157 Å²	157	75.2 Å²	75.2	81%	0.805	42%	0.415	S	S	*	.	S	Bend	trans	-91.9	108.7	172.5	-60.6	169.7	0	0	0	107.4	P47 F51	P47-I49 PolarHBondContact O-N 3.19Å; I49-F51 PolarHBondContact O-N 2.7Å
50	G	78.4	Confident	81.7	Confident	18 Å²	18	74.4 Å²	74.4	19%	0.186	41%	0.412	C	S	.	.	S	Bend	trans	84.4	-107	-176.9	0	0	0	0	0	111.8	G69	G50-G69 PolarHBondContact O-N 3.3Å
51	F	80.3	Confident	81	Confident	102 Å²	102	72.1 Å²	72.1	45%	0.447	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	153.7	-174.8	70.1	-78.6	0	0	0	112	I49 V53 W66 D67 Y81	I49-F51 PolarHBondContact O-N 2.7Å; F51-V53 HydrophobicContact CD2-CG2 3.55Å; F51-V53 HydrophobicContact CE2-CG2 3.64Å; F51-W66 AromaticContact CD2-CE3 3.8Å; F51-W66 HydrophobicContact CD2-CE3 3.8Å; F51-W66 AromaticContact CD2-CZ3 3.82Å; F51-W66 HydrophobicContact CD2-CZ3 3.82Å; F51-W66 HydrophobicContact CE2-CE3 4.12Å; F51-W66 AromaticContact CE2-CZ3 3.63Å; F51-W66 HydrophobicContact CE2-CZ3 3.63Å; F51-W66 HydrophobicContact CZ-CZ3 4.46Å; F51-D67 CarbonylContact C-O 3.59Å; F51-D67 VanDerWaalsContact CA-O 3.25Å; F51-D67 WeakPolarHBondContact CA-O 3.36Å; F51-Y81 HydrophobicContact CB-CE1 4.39Å; F51-Y81 HydrophobicContact CD1-CE1 4.27Å; F51-Y81 AromaticContact CD1-CZ 3.87Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.39Å; F51-Y81 HydrophobicContact CD2-CE1 4.18Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.32Å; F51-Y81 HydrophobicContact CG-CE1 4.02Å; F51-Y81 AromaticContact CG-CZ 3.86Å; F51-Y81 VanDerWaalsContact CG-OH 3.32Å; F51-Y81 WeakPolarHBondContact CG-OH 3.48Å
52	N	77.1	Confident	80.7	Confident	42 Å²	42	67.8 Å²	67.8	23%	0.225	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.6	166.3	-167	43.8	0	0	0	109.4	E54 D67	N52-E54 WeakPolarHBondContact ND2-CG 3.2Å; N52-E54 PolarHBondContact ND2-OE1 3.41Å; N52-D67 HydrophobicContact CB-CB 4.34Å; N52-D67 PolarHBondContact N-O 2.99Å; N52-D67 PolarHBondContact O-N 2.95Å
53	V	82.5	Confident	80.6	Confident	50 Å²	50	64.6 Å²	64.6	30%	0.303	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.3	176.1	-172.6	0	0	0	0	109.4	F51 T64 V65 W66	F51-V53 HydrophobicContact CD2-CG2 3.55Å; F51-V53 HydrophobicContact CE2-CG2 3.64Å; V53-T64 HydrophobicContact CG1-CG2 3.55Å; V53-V65 WeakPolarHBondContact CA-O 3.29Å; V53-W66 HydrophobicContact CG1-CD2 4.38Å; V53-W66 HydrophobicContact CG1-CZ2 4.47Å; V53-W66 HydrophobicContact CG2-CD2 3.63Å; V53-W66 HydrophobicContact CG2-CE3 3.28Å; V53-W66 HydrophobicContact CG2-CG 4.35Å; V53-W66 HydrophobicContact CG2-CH2 3.95Å; V53-W66 HydrophobicContact CG2-CZ2 4.23Å; V53-W66 HydrophobicContact CG2-CZ3 3.46Å; V53-W66 VanDerWaalsContact CG2-CZ3 3.46Å
54	E	85.9	Confident	80.4	Confident	49 Å²	49	64 Å²	64	23%	0.229	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146	176	-61.8	-69.6	174.1	0	0	109.9	L34 N52 V65	L34-E54 HydrophobicContact CD1-CB 3.72Å; L34-E54 HydrophobicContact CD1-CG 4.25Å; L34-E54 HydrophobicContact CD2-CB 3.98Å; L34-E54 HydrophobicContact CD2-CG 3.63Å; L34-E54 HydrophobicContact CG-CB 4.02Å; L34-E54 HydrophobicContact CG-CG 3.97Å; N52-E54 WeakPolarHBondContact ND2-CG 3.2Å; N52-E54 PolarHBondContact ND2-OE1 3.41Å; E54-V65 PolarHBondContact N-O 3.33Å; E54-V65 VanDerWaalsContact N-O 3.11Å; E54-V65 PolarHBondContact O-N 3.41Å
55	T	86.1	Confident	80.1	Confident	55 Å²	55	57.3 Å²	57.3	34%	0.337	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	112.3	169.5	-60.9	0	0	0	0	109.3	K38 N62 F63	K38-T55 WeakPolarHBondContact CD-O 3.36Å; K38-T55 WeakPolarHBondContact CE-O 3.4Å; K38-T55 PolarHBondContact NZ-O 3.09Å; T55-N62 HydrophobicContact CG2-CB 3.98Å; T55-F63 CarbonylContact C-O 3.59Å; T55-F63 WeakPolarHBondContact CA-O 3.46Å
56	V	86	Confident	79.8	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.3	172.5	178	0	0	0	0	107.9	L34 L37 K38 F63 V65	L34-V56 HydrophobicContact CD1-CG2 3.78Å; L37-V56 HydrophobicContact CB-CG1 3.84Å; L37-V56 HydrophobicContact CB-CG2 4.25Å; K38-V56 HydrophobicContact CB-CG2 4.34Å; V56-F63 HydrophobicContact CB-CB 4.38Å; V56-F63 PolarHBondContact N-O 2.92Å; V56-F63 PolarHBondContact O-N 3.1Å; V56-V65 HydrophobicContact CG2-CG2 4.31Å
57	E	84.6	Confident	79.4	Confident	112 Å²	112	50.5 Å²	50.5	52%	0.523	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.4	172.9	-56.1	-161.7	138.7	0	0	109.1	K15 N62	K15-E57 IonicContact NZ-OE1 2.8Å; K15-E57 PolarHBondContact NZ-OE1 3.44Å; K15-E57 IonicContact NZ-OE2 3.14Å; K15-E57 PolarHBondContact NZ-OE2 3.2Å; E57-N62 WeakPolarHBondContact CG-OD1 3.33Å
58	Y	83.6	Confident	79.1	Confident	33 Å²	33	46 Å²	46	13%	0.129	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	119.2	175.9	-170.3	-110.6	0	0	0	110.9	N60 I61 F63 F167 L170 D171	Y58-N60 PolarHBondContact O-N 2.92Å; Y58-I61 PolarHBondContact N-O 3.46Å; Y58-I61 PolarHBondContact O-N 2.8Å; Y58-I61 VanDerWaalsContact O-O 3.07Å; Y58-F63 HydrophobicContact CD1-CE2 4Å; Y58-F63 HydrophobicContact CG-CE2 4.16Å; Y58-F167 HydrophobicContact CD2-CD1 4.19Å; Y58-F167 HydrophobicContact CD2-CE1 4.43Å; Y58-F167 AromaticContact CE2-CD1 3.47Å; Y58-F167 HydrophobicContact CE2-CD1 3.47Å; Y58-F167 VanDerWaalsContact CE2-CD1 3.47Å; Y58-F167 HydrophobicContact CE2-CE1 4.06Å; Y58-F167 HydrophobicContact CE2-CG 4.5Å; Y58-F167 PolarHBondContact OH-O 3.2Å; Y58-L170 HydrophobicContact CD1-CB 3.88Å; Y58-L170 HydrophobicContact CD1-CD1 4.35Å; Y58-L170 HydrophobicContact CD2-CD1 4.28Å; Y58-L170 HydrophobicContact CE1-CB 3.72Å; Y58-L170 HydrophobicContact CG-CB 4.42Å; Y58-L170 HydrophobicContact CG-CD1 4.09Å; Y58-D171 WeakPolarHBondContact CE1-OD1 3.48Å; Y58-D171 VanDerWaalsContact CZ-OD1 3.3Å; Y58-D171 VanDerWaalsContact OH-CG 3.22Å; Y58-D171 PolarHBondContact OH-OD1 3.46Å
59	K	80.3	Confident	79	Confident	114 Å²	114	44.8 Å²	44.8	50%	0.496	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	-120.4	-171.2	-64.4	178.3	164.1	174.6	0	110.6	D171	K59-D171 WeakPolarHBondContact CE-OD1 3.17Å; K59-D171 IonicContact NZ-OD1 3.05Å; K59-D171 PolarHBondContact NZ-OD1 3.4Å; K59-D171 IonicContact NZ-OD2 3.77Å; K59-D171 PolarHBondContact NZ-OD2 3.28Å; K59-D171 VanDerWaalsContact NZ-OD2 3.1Å
60	N	72.7	Confident	79	Confident	75 Å²	75	37.4 Å²	37.4	40%	0.401	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	12.5	178.4	62.6	-40.6	0	0	0	113	K15 K16 Y58	K15-N60 CarbonylContact C-O 3.57Å; K15-N60 WeakPolarHBondContact CA-O 3.43Å; K16-N60 PolarHBondContact N-O 3.12Å; Y58-N60 PolarHBondContact O-N 2.92Å
61	I	71.7	Confident	79.2	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.9	-178.1	-52.2	-174.5	0	0	0	110.5	K16 M18 Y58 F63 S174	K16-I61 WeakPolarHBondContact O-CA 3.41Å; M18-I61 HydrophobicContact CB-CG2 3.7Å; M18-I61 HydrophobicContact CG-CG2 3.51Å; Y58-I61 PolarHBondContact N-O 3.46Å; Y58-I61 PolarHBondContact O-N 2.8Å; Y58-I61 VanDerWaalsContact O-O 3.07Å; I61-F63 HydrophobicContact CB-CD1 4.46Å; I61-F63 HydrophobicContact CB-CE1 4.08Å; I61-F63 HydrophobicContact CB-CZ 4.16Å; I61-F63 HydrophobicContact CD1-CE1 4.29Å; I61-F63 HydrophobicContact CD1-CZ 4.33Å; I61-F63 HydrophobicContact CG2-CD1 3.51Å; I61-F63 HydrophobicContact CG2-CE1 3.39Å; I61-F63 HydrophobicContact CG2-CG 4.23Å; I61-F63 HydrophobicContact CG2-CZ 3.97Å; I61-S174 WeakPolarHBondContact CD1-OG 3.29Å
62	N	79.4	Confident	79.4	Confident	26 Å²	26	40.4 Å²	40.4	14%	0.139	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	107.2	166.8	-72.1	-12.1	0	0	0	107.9	K15 K16 M18 T55 E57 T64	K15-N62 WeakPolarHBondContact CD-OD1 3.42Å; K16-N62 PolarHBondContact O-N 2.93Å; K16-N62 VanDerWaalsContact O-N 3.08Å; M18-N62 PolarHBondContact N-O 3.18Å; T55-N62 HydrophobicContact CG2-CB 3.98Å; E57-N62 WeakPolarHBondContact CG-OD1 3.33Å; N62-T64 PolarHBondContact O-N 2.92Å
63	F	78.7	Confident	79.7	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.009	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	107.2	175.3	-60.9	-55.5	0	0	0	109.1	M18 I20 T55 V56 Y58 I61 V65 L170 L177	M18-F63 HydrophobicContact CB-CD1 4.4Å; M18-F63 WeakPolarHBondContact O-CA 3.11Å; I20-F63 HydrophobicContact CD1-CD1 3.82Å; I20-F63 HydrophobicContact CD1-CE1 4.09Å; I20-F63 HydrophobicContact CG1-CB 3.93Å; I20-F63 HydrophobicContact CG1-CD1 3.26Å; I20-F63 HydrophobicContact CG1-CE1 3.99Å; I20-F63 HydrophobicContact CG1-CG 3.92Å; T55-F63 CarbonylContact C-O 3.59Å; T55-F63 WeakPolarHBondContact CA-O 3.46Å; V56-F63 HydrophobicContact CB-CB 4.38Å; V56-F63 PolarHBondContact N-O 2.92Å; V56-F63 PolarHBondContact O-N 3.1Å; Y58-F63 HydrophobicContact CD1-CE2 4Å; Y58-F63 HydrophobicContact CG-CE2 4.16Å; I61-F63 HydrophobicContact CB-CD1 4.46Å; I61-F63 HydrophobicContact CB-CE1 4.08Å; I61-F63 HydrophobicContact CB-CZ 4.16Å; I61-F63 HydrophobicContact CD1-CE1 4.29Å; I61-F63 HydrophobicContact CD1-CZ 4.33Å; I61-F63 HydrophobicContact CG2-CD1 3.51Å; I61-F63 HydrophobicContact CG2-CE1 3.39Å; I61-F63 HydrophobicContact CG2-CG 4.23Å; I61-F63 HydrophobicContact CG2-CZ 3.97Å; F63-V65 HydrophobicContact CB-CG2 4.04Å; F63-V65 PolarHBondContact O-N 3Å; F63-L170 HydrophobicContact CD2-CD2 4.33Å; F63-L170 HydrophobicContact CE2-CD1 4.3Å; F63-L170 HydrophobicContact CE2-CD2 3.92Å; F63-L170 HydrophobicContact CZ-CD2 4.46Å; F63-L177 HydrophobicContact CE1-CD1 4.08Å
64	T	79	Confident	79.8	Confident	38 Å²	38	45.8 Å²	45.8	23%	0.233	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	101.9	165.2	-55.6	0	0	0	0	107.7	M18 I20 V53 N62	M18-T64 PolarHBondContact O-N 3.14Å; M18-T64 VanDerWaalsContact O-N 3.1Å; I20-T64 CarbonylContact C-O 3.57Å; I20-T64 PolarHBondContact N-O 3.21Å; V53-T64 HydrophobicContact CG1-CG2 3.55Å; N62-T64 PolarHBondContact O-N 2.92Å
65	V	75.1	Confident	79.8	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.8	-175.9	177.3	0	0	0	0	109.6	I20 M22 L34 V53 E54 V56 F63	I20-V65 HydrophobicContact CB-CG2 4.48Å; I20-V65 WeakPolarHBondContact O-CA 3.26Å; M22-V65 HydrophobicContact CB-CG1 3.51Å; M22-V65 HydrophobicContact CE-CG1 3.87Å; M22-V65 HydrophobicContact CG-CG1 4.44Å; M22-V65 HydrophobicContact SD-CG1 4.19Å; L34-V65 HydrophobicContact CD1-CB 3.65Å; L34-V65 HydrophobicContact CD1-CG1 3.66Å; L34-V65 HydrophobicContact CD1-CG2 4.12Å; V53-V65 WeakPolarHBondContact CA-O 3.29Å; E54-V65 PolarHBondContact N-O 3.33Å; E54-V65 VanDerWaalsContact N-O 3.11Å; E54-V65 PolarHBondContact O-N 3.41Å; V56-V65 HydrophobicContact CG2-CG2 4.31Å; F63-V65 HydrophobicContact CB-CG2 4.04Å; F63-V65 PolarHBondContact O-N 3Å
66	W	74.9	Confident	79.8	Confident	55 Å²	55	49.8 Å²	49.8	21%	0.208	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	99.7	171.2	-62.7	74.4	0	0	0	108.4	I20 L21 M22 F51 V53 Y81	I20-W66 PolarHBondContact O-N 3.4Å; L21-W66 HydrophobicContact CD1-CB 3.79Å; M22-W66 CarbonylContact C-O 3.48Å; M22-W66 PolarHBondContact N-O 2.82Å; F51-W66 AromaticContact CD2-CE3 3.8Å; F51-W66 HydrophobicContact CD2-CE3 3.8Å; F51-W66 AromaticContact CD2-CZ3 3.82Å; F51-W66 HydrophobicContact CD2-CZ3 3.82Å; F51-W66 HydrophobicContact CE2-CE3 4.12Å; F51-W66 AromaticContact CE2-CZ3 3.63Å; F51-W66 HydrophobicContact CE2-CZ3 3.63Å; F51-W66 HydrophobicContact CZ-CZ3 4.46Å; V53-W66 HydrophobicContact CG1-CD2 4.38Å; V53-W66 HydrophobicContact CG1-CZ2 4.47Å; V53-W66 HydrophobicContact CG2-CD2 3.63Å; V53-W66 HydrophobicContact CG2-CE3 3.28Å; V53-W66 HydrophobicContact CG2-CG 4.35Å; V53-W66 HydrophobicContact CG2-CH2 3.95Å; V53-W66 HydrophobicContact CG2-CZ2 4.23Å; V53-W66 HydrophobicContact CG2-CZ3 3.46Å; V53-W66 VanDerWaalsContact CG2-CZ3 3.46Å; W66-Y81 AromaticContact CD2-CD1 3.95Å; W66-Y81 HydrophobicContact CD2-CD1 3.95Å; W66-Y81 AromaticContact CE3-CD1 3.21Å; W66-Y81 HydrophobicContact CE3-CD1 3.21Å; W66-Y81 AromaticContact CE3-CE1 3.42Å; W66-Y81 HydrophobicContact CE3-CE1 3.42Å; W66-Y81 VanDerWaalsContact CE3-CE1 3.42Å; W66-Y81 HydrophobicContact CE3-CG 4.29Å; W66-Y81 AromaticContact CZ3-CD1 3.56Å; W66-Y81 HydrophobicContact CZ3-CD1 3.56Å; W66-Y81 AromaticContact CZ3-CE1 3.49Å; W66-Y81 HydrophobicContact CZ3-CE1 3.49Å; W66-Y81 VanDerWaalsContact CZ3-CE1 3.49Å
67	D	73	Confident	79.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	107.5	172.6	171.9	31.3	0	0	0	108.8	K30 T31 L34 F51 N52	K30-D67 WeakPolarHBondContact CB-OD1 3.41Å; K30-D67 WeakPolarHBondContact CE-OD1 3.15Å; T31-D67 WeakPolarHBondContact CA-OD2 3.25Å; T31-D67 WeakPolarHBondContact CB-OD2 3.42Å; T31-D67 PolarHBondContact OG1-OD2 3.4Å; L34-D67 HydrophobicContact CD2-CB 3.89Å; F51-D67 CarbonylContact C-O 3.59Å; F51-D67 VanDerWaalsContact CA-O 3.25Å; F51-D67 WeakPolarHBondContact CA-O 3.36Å; N52-D67 HydrophobicContact CB-CB 4.34Å; N52-D67 PolarHBondContact N-O 2.99Å; N52-D67 PolarHBondContact O-N 2.95Å
68	V	76.5	Confident	79.9	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.6	-175.3	-163.5	0	0	0	0	110.1	L21 I23 K30 G70 W78 Y81	L21-V68 HydrophobicContact CD1-CG2 4.12Å; I23-V68 HydrophobicContact CD1-CG2 4.43Å; I23-V68 HydrophobicContact CG1-CB 4.35Å; I23-V68 HydrophobicContact CG1-CG2 4.19Å; K30-V68 WeakPolarHBondContact CE-O 3.2Å; V68-G70 PolarHBondContact O-N 3.44Å; V68-W78 HydrophobicContact CG1-CG 4.42Å; V68-Y81 HydrophobicContact CG1-CD2 4.27Å; V68-Y81 HydrophobicContact CG1-CE2 3.99Å; V68-Y81 HydrophobicContact CG2-CD2 3.87Å; V68-Y81 HydrophobicContact CG2-CE2 4.21Å; V68-Y81 HydrophobicContact CG2-CG 4.31Å
69	G	76.9	Confident	80.1	Confident	2 Å²	2	52.4 Å²	52.4	2%	0.021	24%	0.237	C	C	.	.			trans	-55.6	135.5	178.7	0	0	0	0	0	111.6	G50 I74 W78	G50-G69 PolarHBondContact O-N 3.3Å; G69-I74 VanDerWaalsContact C-CD1 3.5Å; G69-I74 VanDerWaalsContact CA-CD1 3.46Å; G69-W78 PolarHBondContact O-NE1 3.23Å; G69-W78 VanDerWaalsContact O-NE1 3.07Å
70	G	77.1	Confident	80.4	Confident	3 Å²	3	53 Å²	53	3%	0.031	24%	0.242	C	C	.	.			trans	-98.5	5.5	-171.2	0	0	0	0	0	115.1	D26 V68 R75	D26-G70 PolarHBondContact N-O 2.82Å; V68-G70 PolarHBondContact O-N 3.44Å; G70-R75 PolarHBondContact O-NE 3.24Å; G70-R75 PolarHBondContact O-NH2 3.16Å; G70-R75 VanDerWaalsContact O-NH2 3.12Å
71	Q	82.6	Confident	81.2	Confident	78 Å²	78	50.9 Å²	50.9	36%	0.364	23%	0.228	S	C	.	.	S	Bend	trans	-71.8	140.4	179.3	-60	174.6	52	0	0	110.2	D26 K73 I74 R75	D26-Q71 HydrophobicContact CB-CG 4.05Å; Q71-K73 PolarHBondContact O-N 3.06Å; Q71-I74 HydrophobicContact CB-CD1 4.35Å; Q71-I74 HydrophobicContact CB-CG1 4.09Å; Q71-I74 WeakPolarHBondContact O-CG1 3.48Å; Q71-I74 PolarHBondContact O-N 3.08Å; Q71-R75 WeakPolarHBondContact O-CG 3.13Å; Q71-R75 PolarHBondContact O-N 2.98Å
72	D	83.2	Confident	82.1	Confident	105 Å²	105	51 Å²	51	56%	0.561	23%	0.228	S	C	*	.	H	α-helix	trans	-45.8	-45.5	-173.8	-58	1	0	0	0	113.4	I74 R75	D72-I74 PolarHBondContact O-N 3.49Å; D72-I74 VanDerWaalsContact O-N 3.11Å; D72-R75 PolarHBondContact O-N 2.91Å; D72-R75 IonicContact OD1-CZ 3.76Å; D72-R75 IonicContact OD1-NE 3.1Å; D72-R75 IonicContact OD1-NH1 3.1Å; D72-R75 PolarHBondContact OD1-NH1 3.29Å; D72-R75 IonicContact OD1-NH2 3.26Å; D72-R75 PolarHBondContact OD1-NH2 3.26Å
73	K	83.7	Confident	82.6	Confident	168 Å²	168	55.7 Å²	55.7	73%	0.73	25%	0.249	S	C	*	.	H	α-helix	trans	-62.2	-23.1	-175.2	-64.8	-179.2	-178	175.9	0	113.8	Q71 R76	Q71-K73 PolarHBondContact O-N 3.06Å; K73-R76 PolarHBondContact O-NH1 3.46Å
74	I	84.1	Confident	83.1	Confident	36 Å²	36	62 Å²	62	19%	0.185	28%	0.283	C	S	.	.	H	α-helix	trans	-112.1	-8.8	-175.2	60.3	171.9	0	0	0	113.6	G69 Q71 D72 R76 L77	G69-I74 VanDerWaalsContact C-CD1 3.5Å; G69-I74 VanDerWaalsContact CA-CD1 3.46Å; Q71-I74 HydrophobicContact CB-CD1 4.35Å; Q71-I74 HydrophobicContact CB-CG1 4.09Å; Q71-I74 WeakPolarHBondContact O-CG1 3.48Å; Q71-I74 PolarHBondContact O-N 3.08Å; D72-I74 PolarHBondContact O-N 3.49Å; D72-I74 VanDerWaalsContact O-N 3.11Å; I74-R76 PolarHBondContact O-N 3.26Å; I74-R76 VanDerWaalsContact O-N 3.1Å; I74-L77 HydrophobicContact CB-CD1 4.29Å; I74-L77 VanDerWaalsContact O-CB 3.27Å; I74-L77 WeakPolarHBondContact O-CB 3.31Å; I74-L77 WeakPolarHBondContact O-CG 3.49Å; I74-L77 PolarHBondContact O-N 3.49Å
75	R	85.6	Confident	83.8	Confident	19 Å²	19	60.8 Å²	60.8	7%	0.072	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-28.4	179.3	-60	-168.7	-169.4	140.3	5.6	113.7	D26 G70 Q71 D72 L77 W78 E102	D26-R75 IonicContact OD1-NH2 3.3Å; G70-R75 PolarHBondContact O-NE 3.24Å; G70-R75 PolarHBondContact O-NH2 3.16Å; G70-R75 VanDerWaalsContact O-NH2 3.12Å; Q71-R75 WeakPolarHBondContact O-CG 3.13Å; Q71-R75 PolarHBondContact O-N 2.98Å; D72-R75 PolarHBondContact O-N 2.91Å; D72-R75 IonicContact OD1-CZ 3.76Å; D72-R75 IonicContact OD1-NE 3.1Å; D72-R75 IonicContact OD1-NH1 3.1Å; D72-R75 PolarHBondContact OD1-NH1 3.29Å; D72-R75 IonicContact OD1-NH2 3.26Å; D72-R75 PolarHBondContact OD1-NH2 3.26Å; R75-L77 PolarHBondContact O-N 3.31Å; R75-W78 HydrophobicContact CB-CD2 4.2Å; R75-W78 HydrophobicContact CB-CZ2 4.14Å; R75-W78 HydrophobicContact CG-CH2 4.13Å; R75-W78 HydrophobicContact CG-CZ2 3.63Å; R75-W78 VanDerWaalsContact O-CB 3.25Å; R75-W78 WeakPolarHBondContact O-CB 3.14Å; R75-W78 PolarHBondContact O-N 3.37Å; R75-E102 IonicContact CZ-OE1 2.7Å; R75-E102 IonicContact NH1-OE1 2.72Å; R75-E102 PolarHBondContact NH1-OE1 3.1Å; R75-E102 IonicContact NH2-OE1 3.78Å; R75-E102 PolarHBondContact NH2-OE1 2.85Å
76	R	86	Confident	84.7	Confident	169 Å²	169	64.1 Å²	64.1	64%	0.638	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-23.5	173.1	66.6	175.1	178.9	-116.5	1.2	114.2	K73 I74 W78 R79	K73-R76 PolarHBondContact O-NH1 3.46Å; I74-R76 PolarHBondContact O-N 3.26Å; I74-R76 VanDerWaalsContact O-N 3.1Å; R76-W78 VanDerWaalsContact C-N 3.34Å; R76-R79 PolarHBondContact O-NE 3.12Å
77	L	84.6	Confident	85.6	Confident	56 Å²	56	61.5 Å²	61.5	29%	0.293	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-16.1	-179.9	-58.8	177	0	0	0	112.7	I74 R75 R79 H80 Y81	I74-L77 HydrophobicContact CB-CD1 4.29Å; I74-L77 VanDerWaalsContact O-CB 3.27Å; I74-L77 WeakPolarHBondContact O-CB 3.31Å; I74-L77 WeakPolarHBondContact O-CG 3.49Å; I74-L77 PolarHBondContact O-N 3.49Å; R75-L77 PolarHBondContact O-N 3.31Å; L77-R79 PolarHBondContact O-N 3.38Å; L77-R79 VanDerWaalsContact O-N 3.15Å; L77-H80 WeakPolarHBondContact O-CB 3.3Å; L77-H80 PolarHBondContact O-CD2 3.14Å; L77-H80 PolarHBondContact O-N 3.03Å; L77-Y81 WeakPolarHBondContact O-CD2 3.19Å; L77-Y81 WeakPolarHBondContact O-CE2 3.28Å
78	W	88.9	Confident	86.6	Confident	5 Å²	5	61.6 Å²	61.6	2%	0.019	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-53.5	-39	-177.9	-68.5	3.8	0	0	0	112.1	I23 V68 G69 R75 R76 H80 Y81 F82 E106 M110	I23-W78 HydrophobicContact CD1-CB 3.95Å; I23-W78 HydrophobicContact CD1-CD2 3.96Å; I23-W78 HydrophobicContact CD1-CE3 4.21Å; I23-W78 HydrophobicContact CD1-CG 3.86Å; I23-W78 HydrophobicContact CG1-CD2 4.49Å; I23-W78 HydrophobicContact CG2-CD2 3.72Å; I23-W78 HydrophobicContact CG2-CE3 3.46Å; I23-W78 VanDerWaalsContact CG2-CE3 3.46Å; I23-W78 HydrophobicContact CG2-CH2 3.43Å; I23-W78 VanDerWaalsContact CG2-CH2 3.43Å; I23-W78 HydrophobicContact CG2-CZ2 3.67Å; I23-W78 HydrophobicContact CG2-CZ3 3.3Å; V68-W78 HydrophobicContact CG1-CG 4.42Å; G69-W78 PolarHBondContact O-NE1 3.23Å; G69-W78 VanDerWaalsContact O-NE1 3.07Å; R75-W78 HydrophobicContact CB-CD2 4.2Å; R75-W78 HydrophobicContact CB-CZ2 4.14Å; R75-W78 HydrophobicContact CG-CH2 4.13Å; R75-W78 HydrophobicContact CG-CZ2 3.63Å; R75-W78 VanDerWaalsContact O-CB 3.25Å; R75-W78 WeakPolarHBondContact O-CB 3.14Å; R75-W78 PolarHBondContact O-N 3.37Å; R76-W78 VanDerWaalsContact C-N 3.34Å; W78-H80 PolarHBondContact O-N 3.3Å; W78-H80 VanDerWaalsContact O-N 3.12Å; W78-Y81 WeakPolarHBondContact O-CB 3.48Å; W78-Y81 PolarHBondContact O-N 3.13Å; W78-F82 VanDerWaalsContact C-CE1 3.47Å; W78-F82 HydrophobicContact CB-CE1 3.98Å; W78-F82 HydrophobicContact CB-CZ 4.04Å; W78-F82 VanDerWaalsContact O-CD1 3.28Å; W78-F82 WeakPolarHBondContact O-CD1 3.42Å; W78-F82 WeakPolarHBondContact O-CE1 3.41Å; W78-E106 HydrophobicContact CH2-CB 4.21Å; W78-E106 HydrophobicContact CH2-CG 4.35Å; W78-E106 HydrophobicContact CZ3-CB 3.91Å; W78-E106 HydrophobicContact CZ3-CG 4.3Å; W78-M110 HydrophobicContact CE3-CG 4.32Å; W78-M110 HydrophobicContact CE3-SD 3.84Å; W78-M110 HydrophobicContact CZ3-SD 4.08Å
79	R	87.7	Confident	87.6	Confident	142 Å²	142	61.6 Å²	61.6	54%	0.536	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-55.9	-30.1	179.3	78.2	-177	94.7	-178.5	-1	114.5	R76 L77 Y81 F82	R76-R79 PolarHBondContact O-NE 3.12Å; L77-R79 PolarHBondContact O-N 3.38Å; L77-R79 VanDerWaalsContact O-N 3.15Å; R79-Y81 PolarHBondContact O-N 2.93Å; R79-Y81 VanDerWaalsContact O-N 3.14Å; R79-F82 VanDerWaalsContact CA-CE2 3.44Å; R79-F82 HydrophobicContact CB-CD2 4.14Å; R79-F82 HydrophobicContact CB-CE2 3.85Å; R79-F82 HydrophobicContact CB-CZ 4.39Å; R79-F82 PolarHBondContact O-N 2.72Å
80	H	87.7	Confident	88.6	Confident	128 Å²	128	61.5 Å²	61.5	59%	0.593	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-67.9	-13.4	178.5	-60.1	-49.6	0	0	0	112.8	L77 W78	L77-H80 WeakPolarHBondContact O-CB 3.3Å; L77-H80 PolarHBondContact O-CD2 3.14Å; L77-H80 PolarHBondContact O-N 3.03Å; W78-H80 PolarHBondContact O-N 3.3Å; W78-H80 VanDerWaalsContact O-N 3.12Å
81	Y	87.7	Confident	89.6	Confident	29 Å²	29	61.4 Å²	61.4	11%	0.114	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-107.8	5.5	-178.3	-52.5	-76.2	0	0	0	113.1	R19 F51 W66 V68 L77 W78 R79 T85	R19-Y81 VanDerWaalsContact CZ-O 3.29Å; R19-Y81 PolarHBondContact NH1-O 3.15Å; R19-Y81 PolarHBondContact NH2-O 2.92Å; F51-Y81 HydrophobicContact CB-CE1 4.39Å; F51-Y81 HydrophobicContact CD1-CE1 4.27Å; F51-Y81 AromaticContact CD1-CZ 3.87Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.39Å; F51-Y81 HydrophobicContact CD2-CE1 4.18Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.32Å; F51-Y81 HydrophobicContact CG-CE1 4.02Å; F51-Y81 AromaticContact CG-CZ 3.86Å; F51-Y81 VanDerWaalsContact CG-OH 3.32Å; F51-Y81 WeakPolarHBondContact CG-OH 3.48Å; W66-Y81 AromaticContact CD2-CD1 3.95Å; W66-Y81 HydrophobicContact CD2-CD1 3.95Å; W66-Y81 AromaticContact CE3-CD1 3.21Å; W66-Y81 HydrophobicContact CE3-CD1 3.21Å; W66-Y81 AromaticContact CE3-CE1 3.42Å; W66-Y81 HydrophobicContact CE3-CE1 3.42Å; W66-Y81 VanDerWaalsContact CE3-CE1 3.42Å; W66-Y81 HydrophobicContact CE3-CG 4.29Å; W66-Y81 AromaticContact CZ3-CD1 3.56Å; W66-Y81 HydrophobicContact CZ3-CD1 3.56Å; W66-Y81 AromaticContact CZ3-CE1 3.49Å; W66-Y81 HydrophobicContact CZ3-CE1 3.49Å; W66-Y81 VanDerWaalsContact CZ3-CE1 3.49Å; V68-Y81 HydrophobicContact CG1-CD2 4.27Å; V68-Y81 HydrophobicContact CG1-CE2 3.99Å; V68-Y81 HydrophobicContact CG2-CD2 3.87Å; V68-Y81 HydrophobicContact CG2-CE2 4.21Å; V68-Y81 HydrophobicContact CG2-CG 4.31Å; L77-Y81 WeakPolarHBondContact O-CD2 3.19Å; L77-Y81 WeakPolarHBondContact O-CE2 3.28Å; W78-Y81 WeakPolarHBondContact O-CB 3.48Å; W78-Y81 PolarHBondContact O-N 3.13Å; R79-Y81 PolarHBondContact O-N 2.93Å; R79-Y81 VanDerWaalsContact O-N 3.14Å; Y81-T85 PolarHBondContact O-OG1 3.44Å
82	F	91.1	Very high	90.3	Very high	5 Å²	5	57.8 Å²	57.8	2%	0.022	26%	0.263	C	S	.	.			trans	-76.9	-34.5	-176.4	-63	-13.7	0	0	0	113.1	L21 I23 W78 R79 N84 T85 M110 E113 E115 L116	L21-F82 HydrophobicContact CD2-CD1 3.5Å; L21-F82 HydrophobicContact CD2-CE1 3.81Å; I23-F82 HydrophobicContact CD1-CE1 4.19Å; W78-F82 VanDerWaalsContact C-CE1 3.47Å; W78-F82 HydrophobicContact CB-CE1 3.98Å; W78-F82 HydrophobicContact CB-CZ 4.04Å; W78-F82 VanDerWaalsContact O-CD1 3.28Å; W78-F82 WeakPolarHBondContact O-CD1 3.42Å; W78-F82 WeakPolarHBondContact O-CE1 3.41Å; R79-F82 VanDerWaalsContact CA-CE2 3.44Å; R79-F82 HydrophobicContact CB-CD2 4.14Å; R79-F82 HydrophobicContact CB-CE2 3.85Å; R79-F82 HydrophobicContact CB-CZ 4.39Å; R79-F82 PolarHBondContact O-N 2.72Å; F82-N84 PolarHBondContact O-N 2.94Å; F82-T85 WeakPolarHBondContact O-CB 3.49Å; F82-T85 PolarHBondContact O-N 3.49Å; F82-T85 VanDerWaalsContact O-N 3.08Å; F82-T85 PolarHBondContact O-OG1 3.27Å; F82-M110 HydrophobicContact CE1-CG 4.46Å; F82-M110 HydrophobicContact CE1-SD 4.38Å; F82-M110 HydrophobicContact CZ-CG 3.96Å; F82-M110 HydrophobicContact CZ-SD 4.43Å; F82-E113 HydrophobicContact CD2-CB 3.9Å; F82-E113 HydrophobicContact CD2-CG 3.97Å; F82-E113 HydrophobicContact CE2-CB 3.98Å; F82-E113 HydrophobicContact CE2-CG 3.54Å; F82-E115 HydrophobicContact CB-CB 3.69Å; F82-E115 HydrophobicContact CB-CG 4.41Å; F82-L116 HydrophobicContact CB-CD2 3.93Å; F82-L116 HydrophobicContact CB-CG 4.03Å; F82-L116 HydrophobicContact CD1-CD1 3.8Å; F82-L116 HydrophobicContact CD1-CD2 4.18Å; F82-L116 HydrophobicContact CD1-CG 4.19Å; F82-L116 HydrophobicContact CD2-CD1 4.06Å; F82-L116 HydrophobicContact CD2-CG 4.18Å; F82-L116 HydrophobicContact CE1-CD1 3.9Å; F82-L116 HydrophobicContact CE2-CD1 4.19Å; F82-L116 HydrophobicContact CG-CD1 3.88Å; F82-L116 HydrophobicContact CG-CD2 4.1Å; F82-L116 HydrophobicContact CG-CG 3.88Å; F82-L116 HydrophobicContact CZ-CD1 4.1Å
83	Q	90.5	Very high	91	Very high	125 Å²	125	53.8 Å²	53.8	58%	0.584	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	134.3	-175.9	-69.6	-172.5	-24.6	0	0	113.2	R19 T85 E115	R19-Q83 PolarHBondContact NH1-O 3Å; Q83-T85 PolarHBondContact O-N 3.19Å; Q83-E115 HydrophobicContact CG-CG 4.24Å
84	N	90.1	Very high	91.8	Very high	135 Å²	135	45.8 Å²	45.8	72%	0.722	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	16.4	-179.2	-49.8	-53	0	0	0	114.7	R19 F82	R19-N84 WeakPolarHBondContact CB-O 3.33Å; F82-N84 PolarHBondContact O-N 2.94Å
85	T	92.4	Very high	92.4	Very high	12 Å²	12	46.7 Å²	46.7	7%	0.074	21%	0.212	C	C	.	.			trans	-70.1	131.8	171.9	-57.9	0	0	0	0	109.6	R19 L21 Y81 F82 Q83 G87 L116 V119	R19-T85 PolarHBondContact NH1-OG1 2.94Å; L21-T85 HydrophobicContact CB-CG2 3.69Å; Y81-T85 PolarHBondContact O-OG1 3.44Å; F82-T85 WeakPolarHBondContact O-CB 3.49Å; F82-T85 PolarHBondContact O-N 3.49Å; F82-T85 VanDerWaalsContact O-N 3.08Å; F82-T85 PolarHBondContact O-OG1 3.27Å; Q83-T85 PolarHBondContact O-N 3.19Å; T85-G87 WeakPolarHBondContact CG2-O 3.44Å; T85-L116 HydrophobicContact CG2-CD2 4.15Å; T85-V119 HydrophobicContact CG2-CG1 4.1Å; T85-V119 WeakPolarHBondContact O-CG1 3.35Å
86	Q	93.4	Very high	93	Very high	74 Å²	74	47.2 Å²	47.2	35%	0.346	22%	0.216	S	C	.	.			trans	-106.1	-31.2	177.4	-67.7	155.1	-69.7	0	0	111.5	M18 R19 V120 L177	M18-Q86 VanDerWaalsContact CA-OE1 3.27Å; M18-Q86 HydrophobicContact SD-CB 4.49Å; M18-Q86 VanDerWaalsContact SD-CD 3.59Å; M18-Q86 PolarHBondContact SD-NE2 2.95Å; R19-Q86 PolarHBondContact O-N 2.98Å; Q86-V120 PolarHBondContact O-N 3.25Å; Q86-L177 HydrophobicContact CB-CD2 4.09Å; Q86-L177 WeakPolarHBondContact O-CD2 3.23Å
87	G	94.2	Very high	93.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.2	173.8	0	0	0	0	0	112.1	R19 I20 L21 T85 V120	R19-G87 PolarHBondContact O-N 2.97Å; I20-G87 VanDerWaalsContact CA-O 3.3Å; I20-G87 WeakPolarHBondContact CA-O 3.45Å; L21-G87 PolarHBondContact N-O 2.69Å; T85-G87 WeakPolarHBondContact CG2-O 3.44Å; G87-V120 CarbonylContact C-O 3.58Å; G87-V120 VanDerWaalsContact CA-O 3.29Å; G87-V120 WeakPolarHBondContact CA-O 3.29Å
88	L	95.4	Very high	94.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.5	174.7	174.6	65.7	0	0	0	108.5	L21 I23 L107 M110 V119 V120 I121 L122	L21-L88 HydrophobicContact CB-CD1 4.11Å; L21-L88 HydrophobicContact CD2-CD1 4.25Å; L21-L88 HydrophobicContact CG-CD1 4.11Å; L21-L88 CarbonylContact O-C 3.5Å; L21-L88 WeakPolarHBondContact O-CA 3.3Å; I23-L88 HydrophobicContact CB-CD1 4.41Å; L88-L107 HydrophobicContact CD2-CD1 4.42Å; L88-M110 HydrophobicContact CD2-CE 4.11Å; L88-V119 HydrophobicContact CB-CG2 4.08Å; L88-V120 PolarHBondContact N-O 2.69Å; L88-I121 HydrophobicContact CB-CG1 4.41Å; L88-I121 HydrophobicContact CD2-CG1 4.39Å; L88-I121 CarbonylContact O-C 3.6Å; L88-I121 WeakPolarHBondContact O-CA 3.48Å; L88-L122 PolarHBondContact O-N 3.03Å
89	I	96.7	Very high	94.6	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	114.5	165.9	-61	177.2	0	0	0	107.5	I20 L21 M22 I23 V91 L122 F124 L170 L173	I20-I89 HydrophobicContact CG2-CB 4.49Å; I20-I89 HydrophobicContact CG2-CD1 3.7Å; I20-I89 HydrophobicContact CG2-CG1 3.68Å; L21-I89 PolarHBondContact O-N 2.72Å; M22-I89 CarbonylContact C-O 3.52Å; M22-I89 VanDerWaalsContact CA-O 3.32Å; M22-I89 WeakPolarHBondContact CA-O 3.33Å; M22-I89 HydrophobicContact CB-CB 4.36Å; M22-I89 HydrophobicContact CE-CB 4.48Å; M22-I89 HydrophobicContact CE-CD1 4.01Å; M22-I89 HydrophobicContact CE-CG2 4.17Å; M22-I89 HydrophobicContact CG-CB 4.23Å; M22-I89 HydrophobicContact CG-CG2 4.15Å; I23-I89 PolarHBondContact N-O 2.92Å; I89-V91 HydrophobicContact CG2-CG2 4.02Å; I89-L122 CarbonylContact C-O 3.58Å; I89-L122 VanDerWaalsContact CA-O 3.27Å; I89-L122 WeakPolarHBondContact CA-O 3.45Å; I89-L122 HydrophobicContact CD1-CD2 4.46Å; I89-L122 HydrophobicContact CG1-CB 4.34Å; I89-L122 HydrophobicContact CG1-CD2 4.23Å; I89-F124 HydrophobicContact CG2-CD2 3.53Å; I89-F124 HydrophobicContact CG2-CE2 3.84Å; I89-L170 HydrophobicContact CD1-CD2 4.07Å; I89-L173 HydrophobicContact CD1-CD2 3.93Å; I89-L173 HydrophobicContact CG1-CD2 3.86Å
90	F	97.4	Very high	95.1	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116.9	175.5	-164.2	-107	0	0	0	110.4	I23 V92 S103 L107 M110 L122 V123 F124 L143	I23-F90 HydrophobicContact CG2-CD2 4.3Å; I23-F90 HydrophobicContact CG2-CE2 4.19Å; I23-F90 CarbonylContact O-C 3.6Å; I23-F90 VanDerWaalsContact O-CA 3.29Å; I23-F90 WeakPolarHBondContact O-CA 3.23Å; F90-V92 HydrophobicContact CD1-CG2 3.8Å; F90-V92 HydrophobicContact CE1-CG2 3.91Å; F90-S103 VanDerWaalsContact CE1-OG 3.23Å; F90-S103 WeakPolarHBondContact CE1-OG 3.39Å; F90-S103 WeakPolarHBondContact CZ-O 3.27Å; F90-S103 WeakPolarHBondContact CZ-OG 3.26Å; F90-L107 HydrophobicContact CB-CD1 4.47Å; F90-L107 HydrophobicContact CD1-CB 4.47Å; F90-L107 HydrophobicContact CD1-CD1 4.34Å; F90-L107 HydrophobicContact CD1-CD2 4.26Å; F90-L107 HydrophobicContact CD2-CD1 4.13Å; F90-L107 HydrophobicContact CE1-CB 3.97Å; F90-L107 HydrophobicContact CE1-CD2 4.38Å; F90-L107 HydrophobicContact CE2-CB 4.21Å; F90-L107 HydrophobicContact CE2-CD1 4.43Å; F90-L107 HydrophobicContact CG-CD1 4.06Å; F90-L107 HydrophobicContact CZ-CB 3.82Å; F90-M110 HydrophobicContact CD2-CE 3.48Å; F90-M110 VanDerWaalsContact CD2-CE 3.48Å; F90-M110 HydrophobicContact CE2-CE 3.43Å; F90-M110 VanDerWaalsContact CE2-CE 3.43Å; F90-L122 PolarHBondContact N-O 2.71Å; F90-V123 HydrophobicContact CB-CG2 4.34Å; F90-V123 CarbonylContact O-C 3.56Å; F90-V123 VanDerWaalsContact O-CA 3.26Å; F90-V123 WeakPolarHBondContact O-CA 3.44Å; F90-F124 PolarHBondContact O-N 3.11Å; F90-L143 HydrophobicContact CD1-CD1 4.39Å; F90-L143 HydrophobicContact CE1-CD1 4.42Å; F90-L143 HydrophobicContact CE1-CD2 4.34Å
91	V	98.1	Very high	95.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.3	-174.8	-171.3	0	0	0	0	110	M22 I23 G24 A28 K30 I33 I89 F124 N126	M22-V91 HydrophobicContact CG-CG2 3.91Å; M22-V91 HydrophobicContact SD-CG2 4.27Å; I23-V91 PolarHBondContact O-N 3.35Å; G24-V91 WeakPolarHBondContact CA-O 3.27Å; A28-V91 HydrophobicContact CB-CB 4.38Å; A28-V91 HydrophobicContact CB-CG1 4.1Å; A28-V91 WeakPolarHBondContact CB-O 3.49Å; A28-V91 WeakPolarHBondContact O-CG1 3.34Å; K30-V91 HydrophobicContact CG-CB 3.8Å; K30-V91 HydrophobicContact CG-CG1 4.4Å; K30-V91 HydrophobicContact CG-CG2 3.81Å; I33-V91 HydrophobicContact CD1-CG1 3.67Å; I33-V91 HydrophobicContact CD1-CG2 3.96Å; I89-V91 HydrophobicContact CG2-CG2 4.02Å; V91-F124 HydrophobicContact CG1-CB 4.5Å; V91-N126 HydrophobicContact CG1-CB 3.99Å
92	V	98.4	Very high	96	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.2	-176.5	-179.1	0	0	0	0	108.7	F90 S94 I100 V123 F124 N126 V139 L143	F90-V92 HydrophobicContact CD1-CG2 3.8Å; F90-V92 HydrophobicContact CE1-CG2 3.91Å; V92-S94 PolarHBondContact O-N 3.42Å; V92-I100 HydrophobicContact CG1-CD1 3.61Å; V92-V123 HydrophobicContact CG2-CG1 3.92Å; V92-F124 PolarHBondContact N-O 2.87Å; V92-N126 WeakPolarHBondContact O-CA 3.44Å; V92-N126 WeakPolarHBondContact O-CB 3.45Å; V92-N126 PolarHBondContact O-N 2.94Å; V92-V139 HydrophobicContact CB-CG1 4.36Å; V92-V139 HydrophobicContact CG1-CG1 4.06Å; V92-V139 HydrophobicContact CG2-CG1 4.26Å; V92-L143 HydrophobicContact CG2-CD1 3.72Å
93	D	98.2	Very high	96.2	Very high	21 Å²	21	43.4 Å²	43.4	11%	0.112	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	107.4	164.2	-172	-21.4	0	0	0	108.7	N95 D96 K127	D93-N95 PolarHBondContact O-N 3.36Å; D93-N95 WeakPolarHBondContact OD1-CA 3.07Å; D93-N95 WeakPolarHBondContact OD1-CB 3.46Å; D93-N95 PolarHBondContact OD1-N 3.48Å; D93-D96 HydrophobicContact CB-CB 3.72Å; D93-D96 PolarHBondContact O-N 2.89Å; D93-D96 PolarHBondContact OD1-N 3.4Å; D93-K127 WeakPolarHBondContact OD1-CD 3.34Å; D93-K127 IonicContact OD1-NZ 2.64Å; D93-K127 VanDerWaalsContact OD2-CE 3.26Å; D93-K127 WeakPolarHBondContact OD2-CE 3.37Å; D93-K127 IonicContact OD2-NZ 2.86Å; D93-K127 PolarHBondContact OD2-NZ 2.77Å
94	S	98.7	Very high	96.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.7	-178.4	-50	0	0	0	0	112.2	V92 A125 N126 Q128 A133 M134	V92-S94 PolarHBondContact O-N 3.42Å; S94-A125 WeakPolarHBondContact OG-CA 3.38Å; S94-A125 PolarHBondContact OG-O 3.2Å; S94-N126 WeakPolarHBondContact CB-O 3.41Å; S94-N126 PolarHBondContact N-O 2.94Å; S94-N126 PolarHBondContact OG-N 2.98Å; S94-N126 PolarHBondContact OG-O 2.93Å; S94-Q128 VanDerWaalsContact CB-NE2 3.26Å; S94-Q128 PolarHBondContact OG-NE2 2.76Å; S94-A133 CarbonylContact O-C 3.4Å; S94-A133 WeakPolarHBondContact O-CA 3.05Å; S94-M134 WeakPolarHBondContact O-CB 3.13Å; S94-M134 WeakPolarHBondContact O-CE 3.32Å; S94-M134 WeakPolarHBondContact O-CG 3.46Å; S94-M134 PolarHBondContact O-N 2.66Å
95	N	98.3	Very high	96.9	Very high	55 Å²	55	36.8 Å²	36.8	29%	0.294	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-13.3	179.6	-163.8	76.3	0	0	0	112.2	D93 R97 L130 N132 A133	D93-N95 PolarHBondContact O-N 3.36Å; D93-N95 WeakPolarHBondContact OD1-CA 3.07Å; D93-N95 WeakPolarHBondContact OD1-CB 3.46Å; D93-N95 PolarHBondContact OD1-N 3.48Å; N95-R97 PolarHBondContact O-N 2.78Å; N95-R97 VanDerWaalsContact O-N 3.17Å; N95-L130 HydrophobicContact CB-CB 4.01Å; N95-L130 HydrophobicContact CB-CD1 3.57Å; N95-L130 HydrophobicContact CB-CG 4.43Å; N95-N132 WeakPolarHBondContact OD1-CA 3.46Å; N95-N132 WeakPolarHBondContact OD1-CB 3.41Å; N95-N132 PolarHBondContact OD1-N 2.95Å; N95-A133 PolarHBondContact OD1-N 3.49Å
96	D	98	Very high	97	Very high	30 Å²	30	37.3 Å²	37.3	16%	0.16	19%	0.186	C	C	.	.			trans	-87.4	77.9	176.6	-161.8	-29.6	0	0	0	111.6	D93 D98 R99 I100	D93-D96 HydrophobicContact CB-CB 3.72Å; D93-D96 PolarHBondContact O-N 2.89Å; D93-D96 PolarHBondContact OD1-N 3.4Å; D96-D98 PolarHBondContact O-N 2.83Å; D96-D98 PolarHBondContact OD1-N 2.91Å; D96-R99 WeakPolarHBondContact OD1-CB 3.49Å; D96-R99 PolarHBondContact OD1-N 3.46Å; D96-R99 IonicContact OD1-NE 3.67Å; D96-R99 IonicContact OD2-CZ 2.62Å; D96-R99 IonicContact OD2-NE 3.03Å; D96-R99 PolarHBondContact OD2-NE 3.1Å; D96-R99 IonicContact OD2-NH2 3.99Å; D96-R99 PolarHBondContact OD2-NH2 2.86Å; D96-I100 PolarHBondContact O-N 3.08Å
97	R	98.1	Very high	97.1	Very high	97 Å²	97	33.8 Å²	33.8	37%	0.366	17%	0.17	S	C	.	.			trans	-69.2	-22.3	-179.1	-68.5	175	170.1	-83.9	-10.4	113	N95 I100 N132 M134 E138	N95-R97 PolarHBondContact O-N 2.78Å; N95-R97 VanDerWaalsContact O-N 3.17Å; R97-I100 VanDerWaalsContact O-CG2 3.25Å; R97-I100 WeakPolarHBondContact O-CG2 3.12Å; R97-N132 PolarHBondContact NE-O 3.33Å; R97-N132 PolarHBondContact NH2-O 2.78Å; R97-M134 HydrophobicContact CG-CE 4.32Å; R97-M134 HydrophobicContact CG-CG 3.9Å; R97-M134 HydrophobicContact CG-SD 4.05Å; R97-E138 IonicContact CZ-OE1 3.29Å; R97-E138 IonicContact CZ-OE2 3.07Å; R97-E138 IonicContact NH1-OE1 2.84Å; R97-E138 PolarHBondContact NH1-OE1 3.02Å; R97-E138 IonicContact NH1-OE2 3.87Å; R97-E138 PolarHBondContact NH1-OE2 2.73Å; R97-E138 IonicContact NH2-OE1 2.66Å; R97-E138 IonicContact NH2-OE2 2.73Å; R97-E138 PolarHBondContact NH2-OE2 3.36Å
98	D	97.5	Very high	97.1	Very high	153 Å²	153	36.4 Å²	36.4	82%	0.818	18%	0.184	S	C	*	.	S	Bend	trans	-78.7	-38.2	-176.7	-63.7	-30.1	0	0	0	111.5	D96	D96-D98 PolarHBondContact O-N 2.83Å; D96-D98 PolarHBondContact OD1-N 2.91Å
99	R	97.2	Very high	97	Very high	69 Å²	69	41.2 Å²	41.2	26%	0.26	21%	0.205	S	C	.	.	S	Bend	trans	-97.2	7.3	-178	-62	-171.1	-68.2	166.8	2.1	114.8	L25 D26 D96 S101 E102 S103	L25-R99 HydrophobicContact CD1-CB 3.79Å; L25-R99 WeakPolarHBondContact CD1-O 3.33Å; D26-R99 IonicContact OD1-NH1 2.69Å; D26-R99 PolarHBondContact OD1-NH1 3Å; D26-R99 IonicContact OD2-CZ 3.83Å; D26-R99 IonicContact OD2-NH1 3.89Å; D26-R99 PolarHBondContact OD2-NH1 3.42Å; D26-R99 IonicContact OD2-NH2 3.9Å; D96-R99 WeakPolarHBondContact OD1-CB 3.49Å; D96-R99 PolarHBondContact OD1-N 3.46Å; D96-R99 IonicContact OD1-NE 3.67Å; D96-R99 IonicContact OD2-CZ 2.62Å; D96-R99 IonicContact OD2-NE 3.03Å; D96-R99 PolarHBondContact OD2-NE 3.1Å; D96-R99 IonicContact OD2-NH2 3.99Å; D96-R99 PolarHBondContact OD2-NH2 2.86Å; R99-S101 VanDerWaalsContact C-N 3.29Å; R99-S101 PolarHBondContact O-N 3.15Å; R99-E102 WeakPolarHBondContact CD-OE2 3.33Å; R99-E102 WeakPolarHBondContact CG-OE2 3.35Å; R99-E102 WeakPolarHBondContact O-CB 3.44Å; R99-E102 PolarHBondContact O-N 3.23Å; R99-S103 PolarHBondContact O-N 3.47Å
100	I	98	Very high	96.8	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-34.2	178	-169.2	57.3	0	0	0	113.1	V92 D96 R97 S103 A104 M134 K142 L143	V92-I100 HydrophobicContact CG1-CD1 3.61Å; D96-I100 PolarHBondContact O-N 3.08Å; R97-I100 VanDerWaalsContact O-CG2 3.25Å; R97-I100 WeakPolarHBondContact O-CG2 3.12Å; I100-S103 WeakPolarHBondContact O-CB 3.4Å; I100-S103 PolarHBondContact O-N 3.39Å; I100-A104 PolarHBondContact O-N 2.89Å; I100-M134 HydrophobicContact CB-CE 3.98Å; I100-M134 HydrophobicContact CB-SD 4.31Å; I100-M134 HydrophobicContact CD1-CE 4Å; I100-M134 HydrophobicContact CG1-CE 3.95Å; I100-M134 HydrophobicContact CG1-SD 4.1Å; I100-M134 HydrophobicContact CG2-SD 4.45Å; I100-K142 HydrophobicContact CB-CD 4.3Å; I100-K142 HydrophobicContact CG1-CB 3.73Å; I100-K142 HydrophobicContact CG1-CD 3.78Å; I100-K142 HydrophobicContact CG1-CG 4.43Å; I100-K142 HydrophobicContact CG2-CD 3.59Å; I100-L143 HydrophobicContact CD1-CD2 3.98Å; I100-L143 HydrophobicContact CD1-CG 4.29Å
101	S	97.3	Very high	96.6	Very high	78 Å²	78	42.4 Å²	42.4	55%	0.545	21%	0.211	S	C	.	.	H	α-helix	trans	-66.1	-42	175.7	-59.4	0	0	0	0	111.4	R99 S103 A104 E105	R99-S101 VanDerWaalsContact C-N 3.29Å; R99-S101 PolarHBondContact O-N 3.15Å; S101-S103 VanDerWaalsContact C-N 3.33Å; S101-S103 PolarHBondContact O-N 3.09Å; S101-A104 WeakPolarHBondContact O-CB 2.96Å; S101-A104 PolarHBondContact O-N 2.89Å; S101-E105 WeakPolarHBondContact O-CG 3.41Å; S101-E105 PolarHBondContact O-N 2.92Å
102	E	96.4	Very high	96.4	Very high	48 Å²	48	49.3 Å²	49.3	22%	0.224	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-42.3	173.9	-179.7	-176	-174.5	0	0	111.1	L25 R75 R99 A104 E105 E106	L25-E102 HydrophobicContact CD1-CB 4.34Å; L25-E102 HydrophobicContact CD1-CG 4.25Å; L25-E102 HydrophobicContact CD2-CG 4.26Å; R75-E102 IonicContact CZ-OE1 2.7Å; R75-E102 IonicContact NH1-OE1 2.72Å; R75-E102 PolarHBondContact NH1-OE1 3.1Å; R75-E102 IonicContact NH2-OE1 3.78Å; R75-E102 PolarHBondContact NH2-OE1 2.85Å; R99-E102 WeakPolarHBondContact CD-OE2 3.33Å; R99-E102 WeakPolarHBondContact CG-OE2 3.35Å; R99-E102 WeakPolarHBondContact O-CB 3.44Å; R99-E102 PolarHBondContact O-N 3.23Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 2.91Å; E102-E105 PolarHBondContact O-N 3.31Å; E102-E106 WeakPolarHBondContact O-CG 3.25Å; E102-E106 PolarHBondContact O-N 2.79Å
103	S	96.4	Very high	96.2	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-59.6	-42.1	173.4	-164.4	0	0	0	0	112.1	F90 R99 I100 S101 E106 L107	F90-S103 VanDerWaalsContact CE1-OG 3.23Å; F90-S103 WeakPolarHBondContact CE1-OG 3.39Å; F90-S103 WeakPolarHBondContact CZ-O 3.27Å; F90-S103 WeakPolarHBondContact CZ-OG 3.26Å; R99-S103 PolarHBondContact O-N 3.47Å; I100-S103 WeakPolarHBondContact O-CB 3.4Å; I100-S103 PolarHBondContact O-N 3.39Å; S101-S103 VanDerWaalsContact C-N 3.33Å; S101-S103 PolarHBondContact O-N 3.09Å; S103-E106 PolarHBondContact O-N 3.33Å; S103-L107 WeakPolarHBondContact O-CB 3.45Å; S103-L107 PolarHBondContact O-N 3.03Å
104	A	97.7	Very high	96	Very high	8 Å²	8	56.8 Å²	56.8	7%	0.066	29%	0.285	C	S	.	.	H	α-helix	trans	-65.2	-40.2	176.4	0	0	0	0	0	112.5	I100 S101 E102 N108 K142 L143	I100-A104 PolarHBondContact O-N 2.89Å; S101-A104 WeakPolarHBondContact O-CB 2.96Å; S101-A104 PolarHBondContact O-N 2.89Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 2.91Å; A104-N108 WeakPolarHBondContact O-CB 3.42Å; A104-N108 PolarHBondContact O-N 3.09Å; A104-N108 PolarHBondContact O-ND2 3.43Å; A104-K142 WeakPolarHBondContact CB-O 3.47Å; A104-L143 HydrophobicContact CB-CD2 3.86Å
105	E	95.9	Very high	95.8	Very high	114 Å²	114	61 Å²	61	53%	0.533	30%	0.304	S	S	.	.	H	α-helix	trans	-63	-46.1	175.3	-74.2	178.6	-164.2	0	0	111.6	S101 E102 N108 K109	S101-E105 WeakPolarHBondContact O-CG 3.41Å; S101-E105 PolarHBondContact O-N 2.92Å; E102-E105 PolarHBondContact O-N 3.31Å; E105-N108 PolarHBondContact O-N 3.22Å; E105-K109 VanDerWaalsContact O-CG 3.3Å; E105-K109 WeakPolarHBondContact O-CG 3.44Å; E105-K109 PolarHBondContact O-N 3.3Å
106	E	94.7	Very high	95.7	Very high	23 Å²	23	58.4 Å²	58.4	11%	0.107	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-41.3	178.3	-72.7	-54.6	129.8	0	0	112.2	L25 W78 E102 S103 K109 M110	L25-E106 HydrophobicContact CD2-CG 4.2Å; W78-E106 HydrophobicContact CH2-CB 4.21Å; W78-E106 HydrophobicContact CH2-CG 4.35Å; W78-E106 HydrophobicContact CZ3-CB 3.91Å; W78-E106 HydrophobicContact CZ3-CG 4.3Å; E102-E106 WeakPolarHBondContact O-CG 3.25Å; E102-E106 PolarHBondContact O-N 2.79Å; S103-E106 PolarHBondContact O-N 3.33Å; E106-K109 PolarHBondContact O-N 2.62Å; E106-K109 IonicContact OE1-NZ 2.72Å; E106-K109 PolarHBondContact OE1-NZ 2.92Å; E106-M110 WeakPolarHBondContact O-CG 3.25Å; E106-M110 PolarHBondContact O-N 3.34Å; E106-M110 VanDerWaalsContact O-N 3.15Å
107	L	95.9	Very high	95.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-49.6	172.4	-179.5	59.1	0	0	0	110.9	L88 F90 S103 K109 M110 L111 L143 L145	L88-L107 HydrophobicContact CD2-CD1 4.42Å; F90-L107 HydrophobicContact CB-CD1 4.47Å; F90-L107 HydrophobicContact CD1-CB 4.47Å; F90-L107 HydrophobicContact CD1-CD1 4.34Å; F90-L107 HydrophobicContact CD1-CD2 4.26Å; F90-L107 HydrophobicContact CD2-CD1 4.13Å; F90-L107 HydrophobicContact CE1-CB 3.97Å; F90-L107 HydrophobicContact CE1-CD2 4.38Å; F90-L107 HydrophobicContact CE2-CB 4.21Å; F90-L107 HydrophobicContact CE2-CD1 4.43Å; F90-L107 HydrophobicContact CG-CD1 4.06Å; F90-L107 HydrophobicContact CZ-CB 3.82Å; S103-L107 WeakPolarHBondContact O-CB 3.45Å; S103-L107 PolarHBondContact O-N 3.03Å; L107-K109 VanDerWaalsContact C-N 3.33Å; L107-K109 PolarHBondContact O-N 3.1Å; L107-M110 HydrophobicContact CD1-CE 3.94Å; L107-M110 WeakPolarHBondContact O-CB 3.39Å; L107-M110 PolarHBondContact O-N 3.5Å; L107-M110 VanDerWaalsContact O-N 3.13Å; L107-L111 HydrophobicContact CD1-CD2 4.46Å; L107-L111 HydrophobicContact CD1-CG 4.35Å; L107-L111 HydrophobicContact CG-CD1 4.25Å; L107-L111 HydrophobicContact CG-CG 4.4Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 3.48Å; L107-L143 HydrophobicContact CD2-CB 4.28Å; L107-L143 HydrophobicContact CD2-CD1 4.32Å; L107-L145 HydrophobicContact CD2-CD2 3.64Å
108	N	95	Very high	95.2	Very high	55 Å²	55	64.4 Å²	64.4	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-60.6	-40.9	179.9	-82.4	-48.5	0	0	0	112.6	A104 E105 M110 L111 L112	A104-N108 WeakPolarHBondContact O-CB 3.42Å; A104-N108 PolarHBondContact O-N 3.09Å; A104-N108 PolarHBondContact O-ND2 3.43Å; E105-N108 PolarHBondContact O-N 3.22Å; N108-M110 VanDerWaalsContact C-N 3.31Å; N108-M110 PolarHBondContact O-N 2.75Å; N108-L111 PolarHBondContact O-N 2.55Å; N108-L111 VanDerWaalsContact O-N 3.17Å; N108-L112 WeakPolarHBondContact O-CG 3.37Å; N108-L112 PolarHBondContact O-N 3.2Å
109	K	93.6	Very high	95.1	Very high	102 Å²	102	57.2 Å²	57.2	44%	0.443	28%	0.281	S	S	.	.	H	α-helix	trans	-56	-47.3	174	-72.9	169.1	-163.6	167	0	111	E105 E106 L107 L111 L112	E105-K109 VanDerWaalsContact O-CG 3.3Å; E105-K109 WeakPolarHBondContact O-CG 3.44Å; E105-K109 PolarHBondContact O-N 3.3Å; E106-K109 PolarHBondContact O-N 2.62Å; E106-K109 IonicContact OE1-NZ 2.72Å; E106-K109 PolarHBondContact OE1-NZ 2.92Å; L107-K109 VanDerWaalsContact C-N 3.33Å; L107-K109 PolarHBondContact O-N 3.1Å; K109-L111 VanDerWaalsContact C-N 3.34Å; K109-L111 PolarHBondContact O-N 2.97Å; K109-L112 PolarHBondContact O-N 3.01Å
110	M	92.8	Very high	95	Very high	4 Å²	4	54 Å²	54	2%	0.02	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-34.7	177.9	-66.8	-170.6	-59.5	0	0	113.3	I23 W78 F82 L88 F90 E106 L107 N108 L112 E113 L116	I23-M110 HydrophobicContact CB-SD 4.31Å; I23-M110 HydrophobicContact CD1-SD 3.98Å; I23-M110 HydrophobicContact CG2-CE 3.96Å; I23-M110 HydrophobicContact CG2-SD 3.67Å; W78-M110 HydrophobicContact CE3-CG 4.32Å; W78-M110 HydrophobicContact CE3-SD 3.84Å; W78-M110 HydrophobicContact CZ3-SD 4.08Å; F82-M110 HydrophobicContact CE1-CG 4.46Å; F82-M110 HydrophobicContact CE1-SD 4.38Å; F82-M110 HydrophobicContact CZ-CG 3.96Å; F82-M110 HydrophobicContact CZ-SD 4.43Å; L88-M110 HydrophobicContact CD2-CE 4.11Å; F90-M110 HydrophobicContact CD2-CE 3.48Å; F90-M110 VanDerWaalsContact CD2-CE 3.48Å; F90-M110 HydrophobicContact CE2-CE 3.43Å; F90-M110 VanDerWaalsContact CE2-CE 3.43Å; E106-M110 WeakPolarHBondContact O-CG 3.25Å; E106-M110 PolarHBondContact O-N 3.34Å; E106-M110 VanDerWaalsContact O-N 3.15Å; L107-M110 HydrophobicContact CD1-CE 3.94Å; L107-M110 WeakPolarHBondContact O-CB 3.39Å; L107-M110 PolarHBondContact O-N 3.5Å; L107-M110 VanDerWaalsContact O-N 3.13Å; N108-M110 VanDerWaalsContact C-N 3.31Å; N108-M110 PolarHBondContact O-N 2.75Å; M110-L112 PolarHBondContact O-N 2.95Å; M110-E113 WeakPolarHBondContact O-CB 3.47Å; M110-E113 PolarHBondContact O-N 3.44Å; M110-E113 VanDerWaalsContact O-N 3.17Å; M110-L116 HydrophobicContact CB-CD1 3.91Å; M110-L116 WeakPolarHBondContact O-CD1 3.32Å
111	L	92.7	Very high	95	Very high	23 Å²	23	53.7 Å²	53.7	12%	0.12	27%	0.268	C	S	.	.	H	α-helix	trans	-65.6	-24.1	-179.8	-67.8	177.2	0	0	0	113.3	L107 N108 K109 E113 I121 I148 R151	L107-L111 HydrophobicContact CD1-CD2 4.46Å; L107-L111 HydrophobicContact CD1-CG 4.35Å; L107-L111 HydrophobicContact CG-CD1 4.25Å; L107-L111 HydrophobicContact CG-CG 4.4Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 3.48Å; N108-L111 PolarHBondContact O-N 2.55Å; N108-L111 VanDerWaalsContact O-N 3.17Å; K109-L111 VanDerWaalsContact C-N 3.34Å; K109-L111 PolarHBondContact O-N 2.97Å; L111-E113 VanDerWaalsContact C-N 3.33Å; L111-I121 HydrophobicContact CD2-CD1 3.36Å; L111-I148 HydrophobicContact CD1-CD1 3.76Å; L111-I148 HydrophobicContact CD1-CG1 3.72Å; L111-I148 HydrophobicContact CD2-CD1 4.4Å; L111-R151 PolarHBondContact O-NH1 2.87Å; L111-R151 PolarHBondContact O-NH2 2.91Å; L111-R151 VanDerWaalsContact O-NH2 3.12Å
112	L	93.6	Very high	95.1	Very high	145 Å²	145	50 Å²	50	76%	0.759	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.4	177.6	-63	173.7	0	0	0	113.4	N108 K109 M110	N108-L112 WeakPolarHBondContact O-CG 3.37Å; N108-L112 PolarHBondContact O-N 3.2Å; K109-L112 PolarHBondContact O-N 3.01Å; M110-L112 PolarHBondContact O-N 2.95Å
113	E	94.9	Very high	95.2	Very high	73 Å²	73	47.7 Å²	47.7	34%	0.341	23%	0.231	S	C	.	.			trans	-79.8	130.2	-177.5	-61.4	-82.3	179.5	0	0	110.1	F82 M110 L111 E115 L116 R117	F82-E113 HydrophobicContact CD2-CB 3.9Å; F82-E113 HydrophobicContact CD2-CG 3.97Å; F82-E113 HydrophobicContact CE2-CB 3.98Å; F82-E113 HydrophobicContact CE2-CG 3.54Å; M110-E113 WeakPolarHBondContact O-CB 3.47Å; M110-E113 PolarHBondContact O-N 3.44Å; M110-E113 VanDerWaalsContact O-N 3.17Å; L111-E113 VanDerWaalsContact C-N 3.33Å; E113-E115 VanDerWaalsContact C-N 3.29Å; E113-E115 PolarHBondContact O-N 2.82Å; E113-L116 HydrophobicContact CB-CG 4.48Å; E113-L116 PolarHBondContact O-N 3.24Å; E113-R117 PolarHBondContact O-N 3.07Å
114	D	93.9	Very high	95.3	Very high	108 Å²	108	47.6 Å²	47.6	58%	0.578	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-64.4	-35.8	-173.1	-80.5	-20.8	0	0	0	111.9	L116 R117	D114-L116 PolarHBondContact O-N 3.35Å; D114-R117 VanDerWaalsContact O-CB 3.26Å; D114-R117 WeakPolarHBondContact O-CB 3.34Å; D114-R117 PolarHBondContact O-N 3.5Å; D114-R117 VanDerWaalsContact O-N 3.15Å; D114-R117 IonicContact OD1-CZ 3.57Å; D114-R117 IonicContact OD1-NE 3.77Å; D114-R117 IonicContact OD1-NH2 2.65Å; D114-R117 PolarHBondContact OD1-NH2 3.03Å; D114-R117 IonicContact OD2-NH2 2.71Å
115	E	94.9	Very high	95.3	Very high	88 Å²	88	47.2 Å²	47.2	41%	0.411	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-63.3	-19.8	175.8	-64	93.8	148.2	0	0	113.2	F82 Q83 E113	F82-E115 HydrophobicContact CB-CB 3.69Å; F82-E115 HydrophobicContact CB-CG 4.41Å; Q83-E115 HydrophobicContact CG-CG 4.24Å; E113-E115 VanDerWaalsContact C-N 3.29Å; E113-E115 PolarHBondContact O-N 2.82Å
116	L	94.6	Very high	95.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-104.9	8	179.4	-61.1	-176	0	0	0	113	F82 T85 M110 E113 D114 D118 V119 R151	F82-L116 HydrophobicContact CB-CD2 3.93Å; F82-L116 HydrophobicContact CB-CG 4.03Å; F82-L116 HydrophobicContact CD1-CD1 3.8Å; F82-L116 HydrophobicContact CD1-CD2 4.18Å; F82-L116 HydrophobicContact CD1-CG 4.19Å; F82-L116 HydrophobicContact CD2-CD1 4.06Å; F82-L116 HydrophobicContact CD2-CG 4.18Å; F82-L116 HydrophobicContact CE1-CD1 3.9Å; F82-L116 HydrophobicContact CE2-CD1 4.19Å; F82-L116 HydrophobicContact CG-CD1 3.88Å; F82-L116 HydrophobicContact CG-CD2 4.1Å; F82-L116 HydrophobicContact CG-CG 3.88Å; F82-L116 HydrophobicContact CZ-CD1 4.1Å; T85-L116 HydrophobicContact CG2-CD2 4.15Å; M110-L116 HydrophobicContact CB-CD1 3.91Å; M110-L116 WeakPolarHBondContact O-CD1 3.32Å; E113-L116 HydrophobicContact CB-CG 4.48Å; E113-L116 PolarHBondContact O-N 3.24Å; D114-L116 PolarHBondContact O-N 3.35Å; L116-D118 VanDerWaalsContact C-N 3.28Å; L116-D118 PolarHBondContact O-N 3.11Å; L116-V119 HydrophobicContact CB-CG1 4.31Å; L116-V119 HydrophobicContact CB-CG2 4.23Å; L116-V119 HydrophobicContact CD2-CG1 3.89Å; L116-V119 VanDerWaalsContact O-CG2 3.25Å; L116-V119 WeakPolarHBondContact O-CG2 3.2Å; L116-V119 PolarHBondContact O-N 2.89Å; L116-R151 PolarHBondContact O-NH1 3.32Å
117	R	93	Very high	95.6	Very high	138 Å²	138	43.1 Å²	43.1	52%	0.521	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-39.1	-172.7	-173.5	178.6	-66.8	178.4	-1.5	114	E113 D114 R151	E113-R117 PolarHBondContact O-N 3.07Å; D114-R117 VanDerWaalsContact O-CB 3.26Å; D114-R117 WeakPolarHBondContact O-CB 3.34Å; D114-R117 PolarHBondContact O-N 3.5Å; D114-R117 VanDerWaalsContact O-N 3.15Å; D114-R117 IonicContact OD1-CZ 3.57Å; D114-R117 IonicContact OD1-NE 3.77Å; D114-R117 IonicContact OD1-NH2 2.65Å; D114-R117 PolarHBondContact OD1-NH2 3.03Å; D114-R117 IonicContact OD2-NH2 2.71Å; R117-R151 PolarHBondContact O-NE 3.32Å; R117-R151 PolarHBondContact O-NH2 2.64Å
118	D	92.3	Very high	95.8	Very high	114 Å²	114	45.9 Å²	45.9	61%	0.61	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.3	10.7	-171.8	-61.6	-46.4	0	0	0	114	L116 R180	L116-D118 VanDerWaalsContact C-N 3.28Å; L116-D118 PolarHBondContact O-N 3.11Å; D118-R180 PolarHBondContact O-NH1 3.26Å
119	V	95.5	Very high	95.9	Very high	3 Å²	3	47 Å²	47	2%	0.018	23%	0.226	C	C	.	.			trans	-74.1	143.8	-175.4	-55.5	0	0	0	0	112	T85 L88 L116 I121	T85-V119 HydrophobicContact CG2-CG1 4.1Å; T85-V119 WeakPolarHBondContact O-CG1 3.35Å; L88-V119 HydrophobicContact CB-CG2 4.08Å; L116-V119 HydrophobicContact CB-CG1 4.31Å; L116-V119 HydrophobicContact CB-CG2 4.23Å; L116-V119 HydrophobicContact CD2-CG1 3.89Å; L116-V119 VanDerWaalsContact O-CG2 3.25Å; L116-V119 WeakPolarHBondContact O-CG2 3.2Å; L116-V119 PolarHBondContact O-N 2.89Å; V119-I121 HydrophobicContact CG2-CG1 4.04Å
120	V	96.6	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	132.8	168.4	-178.9	0	0	0	0	109	Q86 G87 L88 P152 W172 L173 E176 L177	Q86-V120 PolarHBondContact O-N 3.25Å; G87-V120 CarbonylContact C-O 3.58Å; G87-V120 VanDerWaalsContact CA-O 3.29Å; G87-V120 WeakPolarHBondContact CA-O 3.29Å; L88-V120 PolarHBondContact N-O 2.69Å; V120-P152 HydrophobicContact CB-CG 4.27Å; V120-P152 HydrophobicContact CG1-CG 4.09Å; V120-P152 HydrophobicContact CG2-CG 3.86Å; V120-W172 HydrophobicContact CG1-CH2 3.48Å; V120-W172 VanDerWaalsContact CG1-CH2 3.48Å; V120-W172 HydrophobicContact CG1-CZ2 4.46Å; V120-W172 HydrophobicContact CG1-CZ3 3.57Å; V120-L173 HydrophobicContact CB-CD1 4.02Å; V120-L173 HydrophobicContact CG1-CD1 3.64Å; V120-E176 HydrophobicContact CB-CG 4.43Å; V120-E176 HydrophobicContact CG1-CB 3.87Å; V120-E176 HydrophobicContact CG1-CG 3.63Å; V120-E176 HydrophobicContact CG2-CB 4.45Å; V120-E176 HydrophobicContact CG2-CG 3.89Å; V120-L177 HydrophobicContact CB-CD2 4.1Å; V120-L177 HydrophobicContact CG2-CD2 3.7Å; V120-L177 HydrophobicContact CG2-CG 4.27Å
121	I	97.6	Very high	96.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.1	-174.7	-57.2	170.3	0	0	0	110.9	L88 L111 V119 V123 I148 R151 P152 W153 H154 W172	L88-I121 HydrophobicContact CB-CG1 4.41Å; L88-I121 HydrophobicContact CD2-CG1 4.39Å; L88-I121 CarbonylContact O-C 3.6Å; L88-I121 WeakPolarHBondContact O-CA 3.48Å; L111-I121 HydrophobicContact CD2-CD1 3.36Å; V119-I121 HydrophobicContact CG2-CG1 4.04Å; I121-V123 HydrophobicContact CG2-CG2 4.12Å; I121-I148 HydrophobicContact CD1-CD1 4.38Å; I121-I148 HydrophobicContact CD1-CG2 4.47Å; I121-R151 HydrophobicContact CD1-CG 4.05Å; I121-P152 PolarHBondContact N-O 3.19Å; I121-W153 HydrophobicContact CB-CB 4.02Å; I121-W153 CarbonylContact O-C 3.52Å; I121-W153 WeakPolarHBondContact O-CA 3.49Å; I121-H154 PolarHBondContact O-N 2.82Å; I121-W172 WeakPolarHBondContact O-CH2 3.36Å; I121-W172 VanDerWaalsContact O-CZ3 3.29Å; I121-W172 WeakPolarHBondContact O-CZ3 3.34Å
122	L	98	Very high	96.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.4	167.3	174.4	64	0	0	0	109	L88 I89 F90 F124 H154 Q156 G169 W172 L173	L88-L122 PolarHBondContact O-N 3.03Å; I89-L122 CarbonylContact C-O 3.58Å; I89-L122 VanDerWaalsContact CA-O 3.27Å; I89-L122 WeakPolarHBondContact CA-O 3.45Å; I89-L122 HydrophobicContact CD1-CD2 4.46Å; I89-L122 HydrophobicContact CG1-CB 4.34Å; I89-L122 HydrophobicContact CG1-CD2 4.23Å; F90-L122 PolarHBondContact N-O 2.71Å; L122-F124 HydrophobicContact CD2-CD2 4.39Å; L122-F124 HydrophobicContact CD2-CE1 4.22Å; L122-F124 HydrophobicContact CD2-CE2 3.74Å; L122-F124 HydrophobicContact CD2-CZ 3.65Å; L122-F124 HydrophobicContact CG-CE2 4.44Å; L122-F124 HydrophobicContact CG-CZ 4.46Å; L122-H154 HydrophobicContact CD1-CB 4.49Å; L122-Q156 HydrophobicContact CD1-CB 4.1Å; L122-G169 WeakPolarHBondContact CD2-O 3.21Å; L122-W172 HydrophobicContact CB-CE3 4.44Å; L122-W172 HydrophobicContact CB-CZ3 4.21Å; L122-W172 HydrophobicContact CD1-CE3 4.19Å; L122-L173 HydrophobicContact CB-CD1 4.49Å; L122-L173 HydrophobicContact CD2-CB 4.26Å; L122-L173 HydrophobicContact CD2-CD2 4.3Å
123	V	98.7	Very high	96.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.2	172.1	-177.6	0	0	0	0	108.9	F90 V92 I121 L143 L145 H154 I155 Q156	F90-V123 HydrophobicContact CB-CG2 4.34Å; F90-V123 CarbonylContact O-C 3.56Å; F90-V123 VanDerWaalsContact O-CA 3.26Å; F90-V123 WeakPolarHBondContact O-CA 3.44Å; V92-V123 HydrophobicContact CG2-CG1 3.92Å; I121-V123 HydrophobicContact CG2-CG2 4.12Å; V123-L143 HydrophobicContact CG1-CD1 3.94Å; V123-L145 HydrophobicContact CB-CD1 4.25Å; V123-L145 HydrophobicContact CG2-CD1 3.85Å; V123-L145 HydrophobicContact CG2-CD2 4.02Å; V123-H154 PolarHBondContact N-O 2.91Å; V123-I155 HydrophobicContact CB-CB 4.24Å; V123-I155 HydrophobicContact CB-CD1 4.44Å; V123-I155 HydrophobicContact CB-CG1 4.07Å; V123-I155 HydrophobicContact CG1-CD1 4.07Å; V123-I155 HydrophobicContact CG1-CG1 4.1Å; V123-I155 CarbonylContact O-C 3.5Å; V123-I155 WeakPolarHBondContact O-CA 3.45Å; V123-Q156 PolarHBondContact O-N 3.49Å
124	F	98.7	Very high	96.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	112.6	166.4	-78.6	-55.7	0	0	0	109.6	I33 I89 F90 V91 V92 L122 N126 Q156 A158 L166	I33-F124 HydrophobicContact CD1-CB 4.28Å; I33-F124 HydrophobicContact CD1-CD2 3.96Å; I33-F124 HydrophobicContact CD1-CG 4.29Å; I33-F124 HydrophobicContact CG2-CE2 4.32Å; I89-F124 HydrophobicContact CG2-CD2 3.53Å; I89-F124 HydrophobicContact CG2-CE2 3.84Å; F90-F124 PolarHBondContact O-N 3.11Å; V91-F124 HydrophobicContact CG1-CB 4.5Å; V92-F124 PolarHBondContact N-O 2.87Å; L122-F124 HydrophobicContact CD2-CD2 4.39Å; L122-F124 HydrophobicContact CD2-CE1 4.22Å; L122-F124 HydrophobicContact CD2-CE2 3.74Å; L122-F124 HydrophobicContact CD2-CZ 3.65Å; L122-F124 HydrophobicContact CG-CE2 4.44Å; L122-F124 HydrophobicContact CG-CZ 4.46Å; F124-N126 VanDerWaalsContact C-N 3.3Å; F124-N126 PolarHBondContact O-N 3.25Å; F124-N126 VanDerWaalsContact O-N 3.11Å; F124-Q156 WeakPolarHBondContact CA-O 3.42Å; F124-Q156 HydrophobicContact CD1-CB 3.96Å; F124-Q156 HydrophobicContact CD1-CG 4.06Å; F124-Q156 HydrophobicContact CE1-CB 4.02Å; F124-Q156 HydrophobicContact CE1-CG 3.79Å; F124-A158 HydrophobicContact CB-CB 4.27Å; F124-A158 HydrophobicContact CD1-CB 3.67Å; F124-A158 HydrophobicContact CE1-CB 4.35Å; F124-A158 HydrophobicContact CG-CB 4.23Å; F124-L166 HydrophobicContact CD1-CD2 4.37Å; F124-L166 HydrophobicContact CE1-CD2 4.05Å; F124-L166 HydrophobicContact CE2-CD2 4.4Å; F124-L166 HydrophobicContact CZ-CD2 4.07Å
125	A	98.8	Very high	97	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	85.7	163.3	0	0	0	0	0	107.5	S94 Q128 T136 V139 I155 Q156 A158	S94-A125 WeakPolarHBondContact OG-CA 3.38Å; S94-A125 PolarHBondContact OG-O 3.2Å; A125-Q128 WeakPolarHBondContact O-CG 3.11Å; A125-T136 HydrophobicContact CB-CG2 3.99Å; A125-V139 HydrophobicContact CB-CB 4.44Å; A125-V139 HydrophobicContact CB-CG1 4.46Å; A125-V139 HydrophobicContact CB-CG2 4.17Å; A125-I155 HydrophobicContact CB-CD1 4.29Å; A125-I155 HydrophobicContact CB-CG1 4.36Å; A125-Q156 PolarHBondContact N-O 3.16Å; A125-A158 PolarHBondContact O-N 2.86Å
126	N	98.7	Very high	97.2	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	164.9	-171.6	-170	32.6	0	0	0	112.1	A28 V91 V92 S94 F124 A158 A160	A28-N126 PolarHBondContact O-ND2 3.43Å; V91-N126 HydrophobicContact CG1-CB 3.99Å; V92-N126 WeakPolarHBondContact O-CA 3.44Å; V92-N126 WeakPolarHBondContact O-CB 3.45Å; V92-N126 PolarHBondContact O-N 2.94Å; S94-N126 WeakPolarHBondContact CB-O 3.41Å; S94-N126 PolarHBondContact N-O 2.94Å; S94-N126 PolarHBondContact OG-N 2.98Å; S94-N126 PolarHBondContact OG-O 2.93Å; F124-N126 VanDerWaalsContact C-N 3.3Å; F124-N126 PolarHBondContact O-N 3.25Å; F124-N126 VanDerWaalsContact O-N 3.11Å; N126-A158 CarbonylContact C-O 3.51Å; N126-A158 VanDerWaalsContact CA-O 3.31Å; N126-A158 WeakPolarHBondContact CA-O 3.4Å; N126-A158 PolarHBondContact OD1-O 2.81Å; N126-A160 WeakPolarHBondContact OD1-CB 3.47Å; N126-A160 PolarHBondContact OD1-N 3.32Å
127	K	98.4	Very high	97.3	Very high	48 Å²	48	43.8 Å²	43.8	21%	0.209	24%	0.244	C	C	.	.			trans	65.9	37.1	-179.2	-45	-166	-167.4	173.7	0	113.9	A27 D93 D129 L130 A133 A158	A27-K127 WeakPolarHBondContact O-CE 3.47Å; A27-K127 PolarHBondContact O-NZ 3.25Å; D93-K127 WeakPolarHBondContact OD1-CD 3.34Å; D93-K127 IonicContact OD1-NZ 2.64Å; D93-K127 VanDerWaalsContact OD2-CE 3.26Å; D93-K127 WeakPolarHBondContact OD2-CE 3.37Å; D93-K127 IonicContact OD2-NZ 2.86Å; D93-K127 PolarHBondContact OD2-NZ 2.77Å; K127-D129 VanDerWaalsContact CA-OD1 3.32Å; K127-D129 WeakPolarHBondContact CA-OD1 3.19Å; K127-D129 PolarHBondContact O-N 3.05Å; K127-L130 HydrophobicContact CB-CD1 3.87Å; K127-L130 HydrophobicContact CB-CG 4.2Å; K127-L130 HydrophobicContact CD-CD1 4Å; K127-L130 PolarHBondContact O-N 3.29Å; K127-A133 WeakPolarHBondContact O-CB 3.33Å; K127-A158 PolarHBondContact N-O 2.88Å
128	Q	98.4	Very high	97.6	Very high	58 Å²	58	39.4 Å²	39.4	27%	0.271	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.1	177.5	-67.7	-73.7	-46.1	0	0	113.3	S94 A125 L130 M134 L157 A158	S94-Q128 VanDerWaalsContact CB-NE2 3.26Å; S94-Q128 PolarHBondContact OG-NE2 2.76Å; A125-Q128 WeakPolarHBondContact O-CG 3.11Å; Q128-L130 PolarHBondContact O-N 2.81Å; Q128-M134 PolarHBondContact NE2-O 3.32Å; Q128-L157 HydrophobicContact CG-CB 4.07Å; Q128-A158 PolarHBondContact N-O 3.42Å
129	D	97.6	Very high	97.9	Very high	79 Å²	79	34 Å²	34	42%	0.422	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-12.9	171.5	57.1	-65.9	0	0	0	113.7	K127 C159	K127-D129 VanDerWaalsContact CA-OD1 3.32Å; K127-D129 WeakPolarHBondContact CA-OD1 3.19Å; K127-D129 PolarHBondContact O-N 3.05Å; D129-C159 VanDerWaalsContact CG-SG 3.5Å; D129-C159 PolarHBondContact OD1-SG 3.37Å
130	L	97.8	Very high	98	Very high	59 Å²	59	34.2 Å²	34.2	31%	0.309	20%	0.203	S	C	.	.	S	Bend	trans	-88.6	143.2	-177.5	-61.1	-178	0	0	0	112.4	N95 K127 Q128 N132 A133	N95-L130 HydrophobicContact CB-CB 4.01Å; N95-L130 HydrophobicContact CB-CD1 3.57Å; N95-L130 HydrophobicContact CB-CG 4.43Å; K127-L130 HydrophobicContact CB-CD1 3.87Å; K127-L130 HydrophobicContact CB-CG 4.2Å; K127-L130 HydrophobicContact CD-CD1 4Å; K127-L130 PolarHBondContact O-N 3.29Å; Q128-L130 PolarHBondContact O-N 2.81Å; L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 2.69Å; L130-A133 VanDerWaalsContact O-CB 3.25Å; L130-A133 WeakPolarHBondContact O-CB 3.43Å; L130-A133 PolarHBondContact O-N 2.93Å; L130-A133 VanDerWaalsContact O-N 3.13Å
131	P	95.9	Very high	98.1	Very high	123 Å²	123	41.2 Å²	41.2	80%	0.799	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.2	-168.9	24.7	-35.3	0	0	0	114.7
132	N	96.2	Very high	98.1	Very high	106 Å²	106	44.7 Å²	44.7	57%	0.567	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	14.2	-179.3	-62.4	-46.2	0	0	0	112.6	N95 R97 L130 M134	N95-N132 WeakPolarHBondContact OD1-CA 3.46Å; N95-N132 WeakPolarHBondContact OD1-CB 3.41Å; N95-N132 PolarHBondContact OD1-N 2.95Å; R97-N132 PolarHBondContact NE-O 3.33Å; R97-N132 PolarHBondContact NH2-O 2.78Å; L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 2.69Å; N132-M134 PolarHBondContact O-N 2.84Å
133	A	98.3	Very high	98.1	Very high	22 Å²	22	44.7 Å²	44.7	18%	0.182	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-58	130.2	179	0	0	0	0	0	111.3	S94 N95 K127 L130	S94-A133 CarbonylContact O-C 3.4Å; S94-A133 WeakPolarHBondContact O-CA 3.05Å; N95-A133 PolarHBondContact OD1-N 3.49Å; K127-A133 WeakPolarHBondContact O-CB 3.33Å; L130-A133 VanDerWaalsContact O-CB 3.25Å; L130-A133 WeakPolarHBondContact O-CB 3.43Å; L130-A133 PolarHBondContact O-N 2.93Å; L130-A133 VanDerWaalsContact O-N 3.13Å
134	M	98.7	Very high	98.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-62.2	135.3	169.9	-66.8	178.3	-77.7	0	0	109.4	S94 R97 I100 Q128 N132 E138 V139 K142	S94-M134 WeakPolarHBondContact O-CB 3.13Å; S94-M134 WeakPolarHBondContact O-CE 3.32Å; S94-M134 WeakPolarHBondContact O-CG 3.46Å; S94-M134 PolarHBondContact O-N 2.66Å; R97-M134 HydrophobicContact CG-CE 4.32Å; R97-M134 HydrophobicContact CG-CG 3.9Å; R97-M134 HydrophobicContact CG-SD 4.05Å; I100-M134 HydrophobicContact CB-CE 3.98Å; I100-M134 HydrophobicContact CB-SD 4.31Å; I100-M134 HydrophobicContact CD1-CE 4Å; I100-M134 HydrophobicContact CG1-CE 3.95Å; I100-M134 HydrophobicContact CG1-SD 4.1Å; I100-M134 HydrophobicContact CG2-SD 4.45Å; Q128-M134 PolarHBondContact NE2-O 3.32Å; N132-M134 PolarHBondContact O-N 2.84Å; M134-E138 HydrophobicContact CB-CB 4.19Å; M134-E138 HydrophobicContact CB-CG 4.15Å; M134-E138 VanDerWaalsContact CG-CD 3.49Å; M134-E138 HydrophobicContact CG-CG 4.16Å; M134-E138 WeakPolarHBondContact CG-OE2 2.89Å; M134-E138 HydrophobicContact SD-CG 4.39Å; M134-V139 HydrophobicContact CB-CG2 3.68Å; M134-V139 HydrophobicContact CE-CG2 4.5Å; M134-K142 HydrophobicContact SD-CD 3.88Å
135	S	98.3	Very high	98	Very high	58 Å²	58	51.3 Å²	51.3	41%	0.406	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-63.6	160.4	172.3	69.3	0	0	0	0	110.9	A137 E138 V139	S135-A137 PolarHBondContact O-N 3.06Å; S135-E138 PolarHBondContact O-N 3.13Å; S135-E138 VanDerWaalsContact O-N 3.09Å; S135-E138 PolarHBondContact OG-N 3.44Å; S135-E138 VanDerWaalsContact OG-N 3.15Å; S135-V139 WeakPolarHBondContact O-CG2 3.46Å; S135-V139 PolarHBondContact O-N 3.11Å
136	T	98.1	Very high	97.9	Very high	43 Å²	43	60.3 Å²	60.3	26%	0.264	31%	0.31	S	S	.	.	H	α-helix	trans	-57.1	-34.3	172.8	50.2	0	0	0	0	112.4	A125 A140 I155 L157	A125-T136 HydrophobicContact CB-CG2 3.99Å; T136-A140 WeakPolarHBondContact O-CB 3.02Å; T136-A140 PolarHBondContact O-N 3.3Å; T136-I155 HydrophobicContact CG2-CG1 4.29Å; T136-I155 WeakPolarHBondContact O-CD1 3.48Å; T136-L157 HydrophobicContact CG2-CB 3.7Å
137	A	98.3	Very high	97.7	Very high	65 Å²	65	65.7 Å²	65.7	54%	0.537	34%	0.335	S	S	.	.	H	α-helix	trans	-64.3	-45.4	175.1	0	0	0	0	0	111.7	S135 A140 E141	S135-A137 PolarHBondContact O-N 3.06Å; A137-A140 PolarHBondContact O-N 2.93Å; A137-E141 WeakPolarHBondContact O-CB 3.25Å; A137-E141 PolarHBondContact O-N 2.8Å
138	E	98.5	Very high	97.5	Very high	46 Å²	46	64.1 Å²	64.1	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-64.8	-44.8	177.3	-174.7	-179.6	176.3	0	0	111.3	R97 M134 S135 A140 E141 K142	R97-E138 IonicContact CZ-OE1 3.29Å; R97-E138 IonicContact CZ-OE2 3.07Å; R97-E138 IonicContact NH1-OE1 2.84Å; R97-E138 PolarHBondContact NH1-OE1 3.02Å; R97-E138 IonicContact NH1-OE2 3.87Å; R97-E138 PolarHBondContact NH1-OE2 2.73Å; R97-E138 IonicContact NH2-OE1 2.66Å; R97-E138 IonicContact NH2-OE2 2.73Å; R97-E138 PolarHBondContact NH2-OE2 3.36Å; M134-E138 HydrophobicContact CB-CB 4.19Å; M134-E138 HydrophobicContact CB-CG 4.15Å; M134-E138 VanDerWaalsContact CG-CD 3.49Å; M134-E138 HydrophobicContact CG-CG 4.16Å; M134-E138 WeakPolarHBondContact CG-OE2 2.89Å; M134-E138 HydrophobicContact SD-CG 4.39Å; S135-E138 PolarHBondContact O-N 3.13Å; S135-E138 VanDerWaalsContact O-N 3.09Å; S135-E138 PolarHBondContact OG-N 3.44Å; S135-E138 VanDerWaalsContact OG-N 3.15Å; E138-A140 PolarHBondContact O-N 3.27Å; E138-E141 PolarHBondContact O-N 3.12Å; E138-K142 HydrophobicContact CG-CD 4.31Å; E138-K142 WeakPolarHBondContact O-CG 3.29Å; E138-K142 PolarHBondContact O-N 3.29Å; E138-K142 VanDerWaalsContact OE1-CE 3.23Å; E138-K142 WeakPolarHBondContact OE1-CE 3.16Å; E138-K142 IonicContact OE1-NZ 2.55Å; E138-K142 PolarHBondContact OE1-NZ 3.35Å
139	V	98.7	Very high	97.1	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.5	-44.6	176.1	175	0	0	0	0	110.8	V92 A125 M134 S135 E141 K142 L143 I155	V92-V139 HydrophobicContact CB-CG1 4.36Å; V92-V139 HydrophobicContact CG1-CG1 4.06Å; V92-V139 HydrophobicContact CG2-CG1 4.26Å; A125-V139 HydrophobicContact CB-CB 4.44Å; A125-V139 HydrophobicContact CB-CG1 4.46Å; A125-V139 HydrophobicContact CB-CG2 4.17Å; M134-V139 HydrophobicContact CB-CG2 3.68Å; M134-V139 HydrophobicContact CE-CG2 4.5Å; S135-V139 WeakPolarHBondContact O-CG2 3.46Å; S135-V139 PolarHBondContact O-N 3.11Å; V139-E141 VanDerWaalsContact C-N 3.31Å; V139-E141 PolarHBondContact O-N 2.77Å; V139-K142 PolarHBondContact O-N 3.26Å; V139-L143 HydrophobicContact CG1-CD1 3.68Å; V139-L143 HydrophobicContact CG1-CG 4.14Å; V139-L143 WeakPolarHBondContact O-CB 3.36Å; V139-L143 WeakPolarHBondContact O-CG 3.46Å; V139-L143 PolarHBondContact O-N 2.91Å; V139-I155 HydrophobicContact CB-CD1 3.84Å; V139-I155 HydrophobicContact CG1-CD1 3.66Å
140	A	98.5	Very high	96.7	Very high	9 Å²	9	73 Å²	73	7%	0.074	37%	0.366	C	S	.	.	H	α-helix	trans	-63.3	-37.1	179.3	0	0	0	0	0	112.8	T136 A137 E138 R144 L145 I155	T136-A140 WeakPolarHBondContact O-CB 3.02Å; T136-A140 PolarHBondContact O-N 3.3Å; A137-A140 PolarHBondContact O-N 2.93Å; E138-A140 PolarHBondContact O-N 3.27Å; A140-R144 PolarHBondContact O-N 3.48Å; A140-L145 HydrophobicContact CB-CB 4.44Å; A140-L145 HydrophobicContact CB-CD1 3.98Å; A140-L145 HydrophobicContact CB-CG 4.37Å; A140-L145 PolarHBondContact O-N 2.93Å; A140-I155 HydrophobicContact CB-CD1 4.15Å; A140-I155 HydrophobicContact CB-CG2 4.38Å
141	E	98.2	Very high	96.5	Very high	146 Å²	146	72 Å²	72	68%	0.682	36%	0.358	S	S	*	.	H	α-helix	trans	-66.6	-51.9	174.3	-177.7	178.2	-174.6	0	0	111.2	A137 E138 V139 L143 R144	A137-E141 WeakPolarHBondContact O-CB 3.25Å; A137-E141 PolarHBondContact O-N 2.8Å; E138-E141 PolarHBondContact O-N 3.12Å; V139-E141 VanDerWaalsContact C-N 3.31Å; V139-E141 PolarHBondContact O-N 2.77Å; E141-L143 PolarHBondContact O-N 2.83Å; E141-R144 WeakPolarHBondContact O-CA 3.11Å; E141-R144 PolarHBondContact O-N 3.4Å
142	K	98.2	Very high	96.6	Very high	73 Å²	73	67.4 Å²	67.4	32%	0.317	33%	0.328	S	S	.	.	H	α-helix	trans	-65.8	-36.2	-176.9	-69.8	-170.7	-179.7	-177.7	0	113.4	I100 A104 M134 E138 V139 R144	I100-K142 HydrophobicContact CB-CD 4.3Å; I100-K142 HydrophobicContact CG1-CB 3.73Å; I100-K142 HydrophobicContact CG1-CD 3.78Å; I100-K142 HydrophobicContact CG1-CG 4.43Å; I100-K142 HydrophobicContact CG2-CD 3.59Å; A104-K142 WeakPolarHBondContact CB-O 3.47Å; M134-K142 HydrophobicContact SD-CD 3.88Å; E138-K142 HydrophobicContact CG-CD 4.31Å; E138-K142 WeakPolarHBondContact O-CG 3.29Å; E138-K142 PolarHBondContact O-N 3.29Å; E138-K142 VanDerWaalsContact OE1-CE 3.23Å; E138-K142 WeakPolarHBondContact OE1-CE 3.16Å; E138-K142 IonicContact OE1-NZ 2.55Å; E138-K142 PolarHBondContact OE1-NZ 3.35Å; V139-K142 PolarHBondContact O-N 3.26Å; K142-R144 PolarHBondContact O-N 2.7Å
143	L	98.2	Very high	96.6	Very high	1 Å²	1	66 Å²	66	1%	0.005	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-5.2	172	-65.2	-178.2	0	0	0	113.3	F90 V92 I100 A104 L107 V123 V139 E141 L145	F90-L143 HydrophobicContact CD1-CD1 4.39Å; F90-L143 HydrophobicContact CE1-CD1 4.42Å; F90-L143 HydrophobicContact CE1-CD2 4.34Å; V92-L143 HydrophobicContact CG2-CD1 3.72Å; I100-L143 HydrophobicContact CD1-CD2 3.98Å; I100-L143 HydrophobicContact CD1-CG 4.29Å; A104-L143 HydrophobicContact CB-CD2 3.86Å; L107-L143 HydrophobicContact CD2-CB 4.28Å; L107-L143 HydrophobicContact CD2-CD1 4.32Å; V123-L143 HydrophobicContact CG1-CD1 3.94Å; V139-L143 HydrophobicContact CG1-CD1 3.68Å; V139-L143 HydrophobicContact CG1-CG 4.14Å; V139-L143 WeakPolarHBondContact O-CB 3.36Å; V139-L143 WeakPolarHBondContact O-CG 3.46Å; V139-L143 PolarHBondContact O-N 2.91Å; E141-L143 PolarHBondContact O-N 2.83Å; L143-L145 HydrophobicContact CB-CD2 3.72Å; L143-L145 HydrophobicContact CB-CG 3.91Å; L143-L145 HydrophobicContact CD1-CD2 4.21Å; L143-L145 PolarHBondContact O-N 3.03Å
144	R	97.4	Very high	96.7	Very high	138 Å²	138	67.6 Å²	67.6	52%	0.521	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	39.3	-177.5	-52.6	-179.7	-170.7	-177.1	2.2	112.6	A140 E141 K142 R146 E147	A140-R144 PolarHBondContact O-N 3.48Å; E141-R144 WeakPolarHBondContact O-CA 3.11Å; E141-R144 PolarHBondContact O-N 3.4Å; K142-R144 PolarHBondContact O-N 2.7Å; R144-R146 PolarHBondContact O-N 2.69Å; R144-R146 VanDerWaalsContact O-N 3.09Å; R144-E147 HydrophobicContact CB-CB 4.36Å; R144-E147 HydrophobicContact CB-CG 4.09Å; R144-E147 WeakPolarHBondContact CD-OE1 3.48Å; R144-E147 WeakPolarHBondContact O-CB 3.49Å; R144-E147 PolarHBondContact O-N 3.43Å
145	L	97.3	Very high	96.6	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-59.9	-28.8	-178.1	-58.8	-174.9	0	0	0	112.2	L107 V123 A140 L143 E147 I148 W153 I155	L107-L145 HydrophobicContact CD2-CD2 3.64Å; V123-L145 HydrophobicContact CB-CD1 4.25Å; V123-L145 HydrophobicContact CG2-CD1 3.85Å; V123-L145 HydrophobicContact CG2-CD2 4.02Å; A140-L145 HydrophobicContact CB-CB 4.44Å; A140-L145 HydrophobicContact CB-CD1 3.98Å; A140-L145 HydrophobicContact CB-CG 4.37Å; A140-L145 PolarHBondContact O-N 2.93Å; L143-L145 HydrophobicContact CB-CD2 3.72Å; L143-L145 HydrophobicContact CB-CG 3.91Å; L143-L145 HydrophobicContact CD1-CD2 4.21Å; L143-L145 PolarHBondContact O-N 3.03Å; L145-E147 PolarHBondContact O-N 2.86Å; L145-I148 HydrophobicContact CB-CD1 4.49Å; L145-I148 HydrophobicContact CD2-CD1 3.8Å; L145-I148 WeakPolarHBondContact O-CB 3.41Å; L145-I148 WeakPolarHBondContact O-CG1 3.26Å; L145-I148 PolarHBondContact O-N 2.81Å; L145-I148 VanDerWaalsContact O-N 3.12Å; L145-W153 HydrophobicContact CB-CD2 4.12Å; L145-W153 HydrophobicContact CB-CE3 3.95Å; L145-W153 HydrophobicContact CB-CH2 3.92Å; L145-W153 HydrophobicContact CB-CZ2 4.06Å; L145-W153 HydrophobicContact CB-CZ3 3.85Å; L145-W153 HydrophobicContact CD1-CE3 3.95Å; L145-W153 HydrophobicContact CD1-CZ3 3.89Å; L145-W153 PolarHBondContact O-NE1 2.91Å; L145-W153 VanDerWaalsContact O-NE1 3.14Å; L145-I155 HydrophobicContact CD1-CB 4.08Å; L145-I155 HydrophobicContact CD1-CD1 4.01Å
146	R	95.3	Very high	96.7	Very high	190 Å²	190	67.3 Å²	67.3	72%	0.717	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-67.3	-12.5	174.3	-66.2	-174.7	-179	174.6	2.5	114	R144 R149 W153	R144-R146 PolarHBondContact O-N 2.69Å; R144-R146 VanDerWaalsContact O-N 3.09Å; R146-R149 PolarHBondContact O-NH1 2.87Å; R146-R149 PolarHBondContact O-NH2 3.17Å; R146-W153 HydrophobicContact CG-CZ2 4.5Å
147	E	95.4	Very high	96.7	Very high	115 Å²	115	69.2 Å²	69.2	54%	0.537	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-88.5	-16.4	174	-63.7	177.2	-165.2	0	0	111.8	R144 L145 R149	R144-E147 HydrophobicContact CB-CB 4.36Å; R144-E147 HydrophobicContact CB-CG 4.09Å; R144-E147 WeakPolarHBondContact CD-OE1 3.48Å; R144-E147 WeakPolarHBondContact O-CB 3.49Å; R144-E147 PolarHBondContact O-N 3.43Å; L145-E147 PolarHBondContact O-N 2.86Å; E147-R149 PolarHBondContact O-N 2.57Å; E147-R149 VanDerWaalsContact O-N 3.12Å
148	I	95.2	Very high	96.7	Very high	15 Å²	15	66.1 Å²	66.1	8%	0.077	29%	0.294	C	S	.	.			trans	-64.7	116.6	175.3	-53.3	179.4	0	0	0	108.5	L111 I121 L145 R151	L111-I148 HydrophobicContact CD1-CD1 3.76Å; L111-I148 HydrophobicContact CD1-CG1 3.72Å; L111-I148 HydrophobicContact CD2-CD1 4.4Å; I121-I148 HydrophobicContact CD1-CD1 4.38Å; I121-I148 HydrophobicContact CD1-CG2 4.47Å; L145-I148 HydrophobicContact CB-CD1 4.49Å; L145-I148 HydrophobicContact CD2-CD1 3.8Å; L145-I148 WeakPolarHBondContact O-CB 3.41Å; L145-I148 WeakPolarHBondContact O-CG1 3.26Å; L145-I148 PolarHBondContact O-N 2.81Å; L145-I148 VanDerWaalsContact O-N 3.12Å; I148-R151 HydrophobicContact CG2-CG 3.62Å
149	R	89.6	Confident	96.7	Very high	161 Å²	161	64 Å²	64	61%	0.608	28%	0.284	S	S	*	.			trans	-111.1	159.5	174.2	-58.7	-64.3	174.6	-117.3	-8	109.6	R146 E147 R151	R146-R149 PolarHBondContact O-NH1 2.87Å; R146-R149 PolarHBondContact O-NH2 3.17Å; E147-R149 PolarHBondContact O-N 2.57Å; E147-R149 VanDerWaalsContact O-N 3.12Å; R149-R151 PolarHBondContact O-N 3.26Å; R149-R151 VanDerWaalsContact O-N 3.11Å
150	N	89.3	Confident	96.6	Very high	162 Å²	162	64.2 Å²	64.2	87%	0.866	29%	0.286	S	S	*	.	S	Bend	trans	67.3	6.2	169.4	-47.9	-32.3	0	0	0	116.8
151	R	93.6	Very high	96.4	Very high	39 Å²	39	66.9 Å²	66.9	15%	0.147	30%	0.302	C	S	.	.	S	Bend	trans	-145.3	143.8	170	61.9	-170.2	76.8	158.5	16.1	110.9	L111 L116 R117 I121 I148 R149	L111-R151 PolarHBondContact O-NH1 2.87Å; L111-R151 PolarHBondContact O-NH2 2.91Å; L111-R151 VanDerWaalsContact O-NH2 3.12Å; L116-R151 PolarHBondContact O-NH1 3.32Å; R117-R151 PolarHBondContact O-NE 3.32Å; R117-R151 PolarHBondContact O-NH2 2.64Å; I121-R151 HydrophobicContact CD1-CG 4.05Å; I148-R151 HydrophobicContact CG2-CG 3.62Å; R149-R151 PolarHBondContact O-N 3.26Å; R149-R151 VanDerWaalsContact O-N 3.11Å
152	P	96.7	Very high	96.2	Very high	27 Å²	27	65.1 Å²	65.1	18%	0.175	29%	0.293	C	S	.	.			trans	-70.8	137.4	179.9	29.7	-34.8	0	0	0	109.5	V120 I121 W172 E176	V120-P152 HydrophobicContact CB-CG 4.27Å; V120-P152 HydrophobicContact CG1-CG 4.09Å; V120-P152 HydrophobicContact CG2-CG 3.86Å; I121-P152 PolarHBondContact N-O 3.19Å; P152-W172 HydrophobicContact CB-CH2 4.47Å; P152-W172 HydrophobicContact CB-CZ2 4.34Å; P152-E176 HydrophobicContact CB-CG 3.77Å; P152-E176 WeakPolarHBondContact CB-OE1 3.4Å; P152-E176 HydrophobicContact CG-CG 3.63Å; P152-E176 WeakPolarHBondContact CG-OE1 3.42Å
153	W	97.9	Very high	96.1	Very high	76 Å²	76	62.1 Å²	62.1	29%	0.288	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.9	174	67	-94.9	0	0	0	110.8	I121 L145 R146 I155 W172	I121-W153 HydrophobicContact CB-CB 4.02Å; I121-W153 CarbonylContact O-C 3.52Å; I121-W153 WeakPolarHBondContact O-CA 3.49Å; L145-W153 HydrophobicContact CB-CD2 4.12Å; L145-W153 HydrophobicContact CB-CE3 3.95Å; L145-W153 HydrophobicContact CB-CH2 3.92Å; L145-W153 HydrophobicContact CB-CZ2 4.06Å; L145-W153 HydrophobicContact CB-CZ3 3.85Å; L145-W153 HydrophobicContact CD1-CE3 3.95Å; L145-W153 HydrophobicContact CD1-CZ3 3.89Å; L145-W153 PolarHBondContact O-NE1 2.91Å; L145-W153 VanDerWaalsContact O-NE1 3.14Å; R146-W153 HydrophobicContact CG-CZ2 4.5Å; W153-I155 HydrophobicContact CZ3-CB 4.45Å; W153-I155 HydrophobicContact CZ3-CG2 4.11Å; W153-W172 VanDerWaalsContact C-CH2 3.43Å
154	H	98.4	Very high	96	Very high	56 Å²	56	67.5 Å²	67.5	26%	0.259	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	149	171.6	-179.9	62	0	0	0	110.2	I121 L122 V123 W172	I121-H154 PolarHBondContact O-N 2.82Å; L122-H154 HydrophobicContact CD1-CB 4.49Å; V123-H154 PolarHBondContact N-O 2.91Å; H154-W172 HydrophobicContact CB-CD2 3.31Å; H154-W172 HydrophobicContact CB-CE3 3.49Å; H154-W172 VanDerWaalsContact CB-CE3 3.49Å; H154-W172 HydrophobicContact CB-CG 3.96Å; H154-W172 HydrophobicContact CB-CH2 3.63Å; H154-W172 HydrophobicContact CB-CZ2 3.46Å; H154-W172 VanDerWaalsContact CB-CZ2 3.46Å; H154-W172 HydrophobicContact CB-CZ3 3.64Å; H154-W172 AromaticContact CD2-CD2 3.97Å; H154-W172 AromaticContact CD2-CG 3.79Å; H154-W172 AromaticContact CG-CD2 3.8Å; H154-W172 AromaticContact CG-CG 3.9Å
155	I	98.7	Very high	96	Very high	25 Å²	25	61.1 Å²	61.1	13%	0.128	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.9	172.7	-173.3	164.4	0	0	0	109.1	V123 A125 T136 V139 A140 L145 W153	V123-I155 HydrophobicContact CB-CB 4.24Å; V123-I155 HydrophobicContact CB-CD1 4.44Å; V123-I155 HydrophobicContact CB-CG1 4.07Å; V123-I155 HydrophobicContact CG1-CD1 4.07Å; V123-I155 HydrophobicContact CG1-CG1 4.1Å; V123-I155 CarbonylContact O-C 3.5Å; V123-I155 WeakPolarHBondContact O-CA 3.45Å; A125-I155 HydrophobicContact CB-CD1 4.29Å; A125-I155 HydrophobicContact CB-CG1 4.36Å; T136-I155 HydrophobicContact CG2-CG1 4.29Å; T136-I155 WeakPolarHBondContact O-CD1 3.48Å; V139-I155 HydrophobicContact CB-CD1 3.84Å; V139-I155 HydrophobicContact CG1-CD1 3.66Å; A140-I155 HydrophobicContact CB-CD1 4.15Å; A140-I155 HydrophobicContact CB-CG2 4.38Å; L145-I155 HydrophobicContact CD1-CB 4.08Å; L145-I155 HydrophobicContact CD1-CD1 4.01Å; W153-I155 HydrophobicContact CZ3-CB 4.45Å; W153-I155 HydrophobicContact CZ3-CG2 4.11Å
156	Q	98.8	Very high	95.9	Very high	27 Å²	27	61.2 Å²	61.2	13%	0.126	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.1	-176.9	179.2	57.2	57.3	0	0	108.7	L122 V123 F124 A125 G165	L122-Q156 HydrophobicContact CD1-CB 4.1Å; V123-Q156 PolarHBondContact O-N 3.49Å; F124-Q156 WeakPolarHBondContact CA-O 3.42Å; F124-Q156 HydrophobicContact CD1-CB 3.96Å; F124-Q156 HydrophobicContact CD1-CG 4.06Å; F124-Q156 HydrophobicContact CE1-CB 4.02Å; F124-Q156 HydrophobicContact CE1-CG 3.79Å; A125-Q156 PolarHBondContact N-O 3.16Å; Q156-G165 WeakPolarHBondContact CG-O 3.36Å
157	L	98.4	Very high	95.9	Very high	83 Å²	83	56.8 Å²	56.8	44%	0.435	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	140.8	167.9	65.8	93.6	0	0	0	108.8	Q128 T136 G165	Q128-L157 HydrophobicContact CG-CB 4.07Å; T136-L157 HydrophobicContact CG2-CB 3.7Å; L157-G165 WeakPolarHBondContact O-CA 3.32Å
158	A	98.4	Very high	95.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.27	C	S	.	.			trans	-146.6	147.3	-179.6	0	0	0	0	0	113.4	F124 A125 N126 K127 Q128 E164 L166	F124-A158 HydrophobicContact CB-CB 4.27Å; F124-A158 HydrophobicContact CD1-CB 3.67Å; F124-A158 HydrophobicContact CE1-CB 4.35Å; F124-A158 HydrophobicContact CG-CB 4.23Å; A125-A158 PolarHBondContact O-N 2.86Å; N126-A158 CarbonylContact C-O 3.51Å; N126-A158 VanDerWaalsContact CA-O 3.31Å; N126-A158 WeakPolarHBondContact CA-O 3.4Å; N126-A158 PolarHBondContact OD1-O 2.81Å; K127-A158 PolarHBondContact N-O 2.88Å; Q128-A158 PolarHBondContact N-O 3.42Å; A158-E164 WeakPolarHBondContact CA-O 3.31Å; A158-L166 HydrophobicContact CB-CD2 3.82Å
159	C	97.9	Very high	96	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.007	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-124.9	98.9	162.5	-179.3	0	0	0	0	108.6	D129 T161 Q162 G163 E164	D129-C159 VanDerWaalsContact CG-SG 3.5Å; D129-C159 PolarHBondContact OD1-SG 3.37Å; C159-T161 PolarHBondContact O-N 3.15Å; C159-T161 PolarHBondContact SG-OG1 3.42Å; C159-Q162 HydrophobicContact CB-CB 4.2Å; C159-Q162 PolarHBondContact O-N 3.48Å; C159-Q162 VanDerWaalsContact SG-CG 3.55Å; C159-G163 WeakPolarHBondContact O-CA 3.5Å; C159-G163 PolarHBondContact O-N 3.13Å; C159-E164 HydrophobicContact CB-CB 4.26Å; C159-E164 PolarHBondContact N-O 3.4Å; C159-E164 PolarHBondContact O-N 2.89Å
160	A	96.6	Very high	96.2	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.033	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-33.3	-175.1	0	0	0	0	0	113.9	T32 I33 K36 N126	T32-A160 HydrophobicContact CG2-CB 3.76Å; I33-A160 HydrophobicContact CD1-CB 4.42Å; I33-A160 HydrophobicContact CG1-CB 3.49Å; I33-A160 VanDerWaalsContact CG1-CB 3.49Å; K36-A160 WeakPolarHBondContact CG-O 3.25Å; N126-A160 WeakPolarHBondContact OD1-CB 3.47Å; N126-A160 PolarHBondContact OD1-N 3.32Å
161	T	95.3	Very high	96.4	Very high	66 Å²	66	42.8 Å²	42.8	41%	0.405	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-36.9	-179.5	50.8	0	0	0	0	111.7	T32 K36 V42 C159	T32-T161 HydrophobicContact CG2-CG2 4.35Å; K36-T161 PolarHBondContact NZ-O 2.78Å; V42-T161 HydrophobicContact CG1-CG2 4.29Å; V42-T161 WeakPolarHBondContact CG2-O 3.44Å; C159-T161 PolarHBondContact O-N 3.15Å; C159-T161 PolarHBondContact SG-OG1 3.42Å
162	Q	94.6	Very high	96.5	Very high	109 Å²	109	43.8 Å²	43.8	51%	0.509	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-23.7	179.5	-60.4	-179.4	21.3	0	0	112.1	C159 E164	C159-Q162 HydrophobicContact CB-CB 4.2Å; C159-Q162 PolarHBondContact O-N 3.48Å; C159-Q162 VanDerWaalsContact SG-CG 3.55Å; Q162-E164 VanDerWaalsContact C-N 3.32Å; Q162-E164 HydrophobicContact CB-CG 3.98Å
163	G	94.6	Very high	96.4	Very high	9 Å²	9	42.5 Å²	42.5	9%	0.093	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	0.9	-175.3	0	0	0	0	0	113.7	C159 L166	C159-G163 WeakPolarHBondContact O-CA 3.5Å; C159-G163 PolarHBondContact O-N 3.13Å; G163-L166 PolarHBondContact O-N 3.22Å
164	E	96.6	Very high	96.2	Very high	114 Å²	114	39 Å²	39	53%	0.533	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-63.3	135.8	-179.7	-61.4	-170	157.3	0	0	111.4	A158 C159 Q162 L166	A158-E164 WeakPolarHBondContact CA-O 3.31Å; C159-E164 HydrophobicContact CB-CB 4.26Å; C159-E164 PolarHBondContact N-O 3.4Å; C159-E164 PolarHBondContact O-N 2.89Å; Q162-E164 VanDerWaalsContact C-N 3.32Å; Q162-E164 HydrophobicContact CB-CG 3.98Å; E164-L166 PolarHBondContact O-N 3.17Å; E164-L166 VanDerWaalsContact O-N 3.13Å
165	G	97.4	Very high	95.9	Very high	5 Å²	5	40.2 Å²	40.2	5%	0.052	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	-13.9	177.5	0	0	0	0	0	115.2	Q156 L157 E168 G169	Q156-G165 WeakPolarHBondContact CG-O 3.36Å; L157-G165 WeakPolarHBondContact O-CA 3.32Å; G165-E168 WeakPolarHBondContact CA-OE2 3.42Å; G165-E168 PolarHBondContact N-OE2 3.19Å; G165-G169 PolarHBondContact O-N 3.05Å; G165-G169 VanDerWaalsContact O-N 3.09Å
166	L	95.8	Very high	95.7	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-66.5	-43.8	-175.4	-60	-172.1	0	0	0	111.8	I33 K36 L37 F124 A158 G163 E164 G169 L170	I33-L166 HydrophobicContact CD1-CD2 4.2Å; I33-L166 HydrophobicContact CG1-CD2 3.94Å; I33-L166 HydrophobicContact CG2-CD1 4.33Å; I33-L166 HydrophobicContact CG2-CD2 4.08Å; K36-L166 HydrophobicContact CB-CD1 4.06Å; K36-L166 HydrophobicContact CG-CD1 3.86Å; L37-L166 HydrophobicContact CD2-CB 4.04Å; L37-L166 HydrophobicContact CD2-CD1 4.46Å; L37-L166 HydrophobicContact CG-CD1 4.42Å; F124-L166 HydrophobicContact CD1-CD2 4.37Å; F124-L166 HydrophobicContact CE1-CD2 4.05Å; F124-L166 HydrophobicContact CE2-CD2 4.4Å; F124-L166 HydrophobicContact CZ-CD2 4.07Å; A158-L166 HydrophobicContact CB-CD2 3.82Å; G163-L166 PolarHBondContact O-N 3.22Å; E164-L166 PolarHBondContact O-N 3.17Å; E164-L166 VanDerWaalsContact O-N 3.13Å; L166-G169 PolarHBondContact O-N 3.4Å; L166-L170 WeakPolarHBondContact O-CG 3.25Å; L166-L170 PolarHBondContact O-N 2.92Å
167	F	94.1	Very high	95.3	Very high	98 Å²	98	39.4 Å²	39.4	43%	0.43	20%	0.197	S	C	.	.	H	α-helix	trans	-72.5	-36.5	-178.1	-67.5	-65.3	0	0	0	111.8	L37 Y58 G169 L170 D171	L37-F167 HydrophobicContact CD2-CD1 4.33Å; L37-F167 HydrophobicContact CD2-CE1 4.07Å; Y58-F167 HydrophobicContact CD2-CD1 4.19Å; Y58-F167 HydrophobicContact CD2-CE1 4.43Å; Y58-F167 AromaticContact CE2-CD1 3.47Å; Y58-F167 HydrophobicContact CE2-CD1 3.47Å; Y58-F167 VanDerWaalsContact CE2-CD1 3.47Å; Y58-F167 HydrophobicContact CE2-CE1 4.06Å; Y58-F167 HydrophobicContact CE2-CG 4.5Å; Y58-F167 PolarHBondContact OH-O 3.2Å; F167-G169 VanDerWaalsContact C-N 3.34Å; F167-G169 PolarHBondContact O-N 2.96Å; F167-L170 PolarHBondContact O-N 3.25Å; F167-D171 WeakPolarHBondContact O-CB 3.42Å; F167-D171 PolarHBondContact O-N 3.4Å
168	E	96.3	Very high	94.8	Very high	105 Å²	105	38 Å²	38	49%	0.491	19%	0.194	S	C	.	.	H	α-helix	trans	-61.2	-44.1	174.1	-64.8	83.2	170.5	0	0	111.1	G165 D171 W172	G165-E168 WeakPolarHBondContact CA-OE2 3.42Å; G165-E168 PolarHBondContact N-OE2 3.19Å; E168-D171 WeakPolarHBondContact O-CB 3.24Å; E168-D171 PolarHBondContact O-N 3.41Å; E168-W172 PolarHBondContact O-N 2.78Å
169	G	96.9	Very high	94.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-44.8	175.4	0	0	0	0	0	112.5	L122 G165 L166 F167 D171 W172 L173	L122-G169 WeakPolarHBondContact CD2-O 3.21Å; G165-G169 PolarHBondContact O-N 3.05Å; G165-G169 VanDerWaalsContact O-N 3.09Å; L166-G169 PolarHBondContact O-N 3.4Å; F167-G169 VanDerWaalsContact C-N 3.34Å; F167-G169 PolarHBondContact O-N 2.96Å; G169-D171 VanDerWaalsContact C-N 3.3Å; G169-D171 PolarHBondContact O-N 3.29Å; G169-W172 PolarHBondContact O-N 2.92Å; G169-L173 WeakPolarHBondContact O-CB 3.36Å; G169-L173 PolarHBondContact O-N 3.42Å
170	L	93.7	Very high	93.3	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-66.3	-32.3	175.6	-75.1	-171.2	0	0	0	113	L37 Y58 F63 I89 L166 F167 L173 S174	L37-L170 HydrophobicContact CD1-CD1 3.79Å; L37-L170 HydrophobicContact CD1-CG 4.41Å; L37-L170 HydrophobicContact CD2-CD1 3.45Å; L37-L170 VanDerWaalsContact CD2-CD1 3.45Å; L37-L170 HydrophobicContact CD2-CG 4.38Å; L37-L170 HydrophobicContact CG-CD1 4.2Å; Y58-L170 HydrophobicContact CD1-CB 3.88Å; Y58-L170 HydrophobicContact CD1-CD1 4.35Å; Y58-L170 HydrophobicContact CD2-CD1 4.28Å; Y58-L170 HydrophobicContact CE1-CB 3.72Å; Y58-L170 HydrophobicContact CG-CB 4.42Å; Y58-L170 HydrophobicContact CG-CD1 4.09Å; F63-L170 HydrophobicContact CD2-CD2 4.33Å; F63-L170 HydrophobicContact CE2-CD1 4.3Å; F63-L170 HydrophobicContact CE2-CD2 3.92Å; F63-L170 HydrophobicContact CZ-CD2 4.46Å; I89-L170 HydrophobicContact CD1-CD2 4.07Å; L166-L170 WeakPolarHBondContact O-CG 3.25Å; L166-L170 PolarHBondContact O-N 2.92Å; F167-L170 PolarHBondContact O-N 3.25Å; L170-L173 HydrophobicContact CD2-CD2 4.28Å; L170-L173 PolarHBondContact O-N 2.86Å; L170-S174 WeakPolarHBondContact O-CB 3.14Å; L170-S174 PolarHBondContact O-N 3.25Å
171	D	94.1	Very high	91.7	Very high	50 Å²	50	56.1 Å²	56.1	27%	0.267	28%	0.283	S	S	.	.	H	α-helix	trans	-64.1	-46.8	175	-103.1	2.9	0	0	0	111.5	Y58 K59 F167 E168 G169 S174 N175	Y58-D171 WeakPolarHBondContact CE1-OD1 3.48Å; Y58-D171 VanDerWaalsContact CZ-OD1 3.3Å; Y58-D171 VanDerWaalsContact OH-CG 3.22Å; Y58-D171 PolarHBondContact OH-OD1 3.46Å; K59-D171 WeakPolarHBondContact CE-OD1 3.17Å; K59-D171 IonicContact NZ-OD1 3.05Å; K59-D171 PolarHBondContact NZ-OD1 3.4Å; K59-D171 IonicContact NZ-OD2 3.77Å; K59-D171 PolarHBondContact NZ-OD2 3.28Å; K59-D171 VanDerWaalsContact NZ-OD2 3.1Å; F167-D171 WeakPolarHBondContact O-CB 3.42Å; F167-D171 PolarHBondContact O-N 3.4Å; E168-D171 WeakPolarHBondContact O-CB 3.24Å; E168-D171 PolarHBondContact O-N 3.41Å; G169-D171 VanDerWaalsContact C-N 3.3Å; G169-D171 PolarHBondContact O-N 3.29Å; D171-S174 PolarHBondContact O-N 3.15Å; D171-N175 VanDerWaalsContact O-CB 3.31Å; D171-N175 WeakPolarHBondContact O-CB 3.41Å; D171-N175 PolarHBondContact O-N 3.24Å; D171-N175 PolarHBondContact O-ND2 2.76Å; D171-N175 VanDerWaalsContact O-ND2 3.08Å
172	W	96.1	Very high	91.5	Very high	60 Å²	60	55.6 Å²	55.6	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-59.2	-48.4	173.2	178.2	88.4	0	0	0	111.5	V120 I121 L122 P152 W153 H154 E168 G169 S174 N175 E176	V120-W172 HydrophobicContact CG1-CH2 3.48Å; V120-W172 VanDerWaalsContact CG1-CH2 3.48Å; V120-W172 HydrophobicContact CG1-CZ2 4.46Å; V120-W172 HydrophobicContact CG1-CZ3 3.57Å; I121-W172 WeakPolarHBondContact O-CH2 3.36Å; I121-W172 VanDerWaalsContact O-CZ3 3.29Å; I121-W172 WeakPolarHBondContact O-CZ3 3.34Å; L122-W172 HydrophobicContact CB-CE3 4.44Å; L122-W172 HydrophobicContact CB-CZ3 4.21Å; L122-W172 HydrophobicContact CD1-CE3 4.19Å; P152-W172 HydrophobicContact CB-CH2 4.47Å; P152-W172 HydrophobicContact CB-CZ2 4.34Å; W153-W172 VanDerWaalsContact C-CH2 3.43Å; H154-W172 HydrophobicContact CB-CD2 3.31Å; H154-W172 HydrophobicContact CB-CE3 3.49Å; H154-W172 VanDerWaalsContact CB-CE3 3.49Å; H154-W172 HydrophobicContact CB-CG 3.96Å; H154-W172 HydrophobicContact CB-CH2 3.63Å; H154-W172 HydrophobicContact CB-CZ2 3.46Å; H154-W172 VanDerWaalsContact CB-CZ2 3.46Å; H154-W172 HydrophobicContact CB-CZ3 3.64Å; H154-W172 AromaticContact CD2-CD2 3.97Å; H154-W172 AromaticContact CD2-CG 3.79Å; H154-W172 AromaticContact CG-CD2 3.8Å; H154-W172 AromaticContact CG-CG 3.9Å; E168-W172 PolarHBondContact O-N 2.78Å; G169-W172 PolarHBondContact O-N 2.92Å; W172-S174 PolarHBondContact O-N 3.19Å; W172-N175 PolarHBondContact O-N 2.98Å; W172-E176 HydrophobicContact CH2-CG 4.47Å; W172-E176 HydrophobicContact CZ2-CB 4.44Å; W172-E176 HydrophobicContact CZ2-CG 4.29Å; W172-E176 WeakPolarHBondContact O-CB 3.4Å; W172-E176 PolarHBondContact O-N 2.98Å
173	L	94.6	Very high	91.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.4	-45.3	-178.6	-179.9	61.9	0	0	0	111.7	I20 I89 V120 L122 G169 L170 E176 L177	I20-L173 HydrophobicContact CD1-CD2 4.32Å; I20-L173 HydrophobicContact CG2-CD2 4.47Å; I89-L173 HydrophobicContact CD1-CD2 3.93Å; I89-L173 HydrophobicContact CG1-CD2 3.86Å; V120-L173 HydrophobicContact CB-CD1 4.02Å; V120-L173 HydrophobicContact CG1-CD1 3.64Å; L122-L173 HydrophobicContact CB-CD1 4.49Å; L122-L173 HydrophobicContact CD2-CB 4.26Å; L122-L173 HydrophobicContact CD2-CD2 4.3Å; G169-L173 WeakPolarHBondContact O-CB 3.36Å; G169-L173 PolarHBondContact O-N 3.42Å; L170-L173 HydrophobicContact CD2-CD2 4.28Å; L170-L173 PolarHBondContact O-N 2.86Å; L173-E176 PolarHBondContact O-N 3.48Å; L173-L177 HydrophobicContact CD1-CD1 3.97Å; L173-L177 HydrophobicContact CD1-CG 4.2Å; L173-L177 HydrophobicContact CG-CD1 3.9Å; L173-L177 WeakPolarHBondContact O-CB 3.4Å; L173-L177 VanDerWaalsContact O-CG 3.25Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 2.87Å
174	S	92	Very high	91.2	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-45.8	177.3	178.7	0	0	0	0	111.9	I61 L170 D171 W172 E176 L177 S178	I61-S174 WeakPolarHBondContact CD1-OG 3.29Å; L170-S174 WeakPolarHBondContact O-CB 3.14Å; L170-S174 PolarHBondContact O-N 3.25Å; D171-S174 PolarHBondContact O-N 3.15Å; W172-S174 PolarHBondContact O-N 3.19Å; S174-E176 VanDerWaalsContact C-N 3.31Å; S174-E176 PolarHBondContact O-N 3.47Å; S174-L177 PolarHBondContact O-N 2.8Å; S174-S178 WeakPolarHBondContact O-CB 3.38Å; S174-S178 PolarHBondContact O-N 3.22Å; S174-S178 PolarHBondContact O-OG 3.39Å
175	N	92.7	Very high	90.9	Very high	81 Å²	81	51.8 Å²	51.8	43%	0.433	26%	0.259	S	S	.	.	H	α-helix	trans	-65.1	-34.5	177.9	-71.9	-26.3	0	0	0	112.5	D171 W172 S178 K179	D171-N175 VanDerWaalsContact O-CB 3.31Å; D171-N175 WeakPolarHBondContact O-CB 3.41Å; D171-N175 PolarHBondContact O-N 3.24Å; D171-N175 PolarHBondContact O-ND2 2.76Å; D171-N175 VanDerWaalsContact O-ND2 3.08Å; W172-N175 PolarHBondContact O-N 2.98Å; N175-S178 PolarHBondContact O-OG 3.29Å; N175-K179 WeakPolarHBondContact O-CG 2.92Å
176	E	94.4	Very high	90.5	Very high	31 Å²	31	54.7 Å²	54.7	15%	0.145	27%	0.272	C	S	.	.	H	α-helix	trans	-77.6	-37.3	179.5	-167.3	59.1	-153	0	0	112	V120 P152 W172 L173 S174 K179	V120-E176 HydrophobicContact CB-CG 4.43Å; V120-E176 HydrophobicContact CG1-CB 3.87Å; V120-E176 HydrophobicContact CG1-CG 3.63Å; V120-E176 HydrophobicContact CG2-CB 4.45Å; V120-E176 HydrophobicContact CG2-CG 3.89Å; P152-E176 HydrophobicContact CB-CG 3.77Å; P152-E176 WeakPolarHBondContact CB-OE1 3.4Å; P152-E176 HydrophobicContact CG-CG 3.63Å; P152-E176 WeakPolarHBondContact CG-OE1 3.42Å; W172-E176 HydrophobicContact CH2-CG 4.47Å; W172-E176 HydrophobicContact CZ2-CB 4.44Å; W172-E176 HydrophobicContact CZ2-CG 4.29Å; W172-E176 WeakPolarHBondContact O-CB 3.4Å; W172-E176 PolarHBondContact O-N 2.98Å; L173-E176 PolarHBondContact O-N 3.48Å; S174-E176 VanDerWaalsContact C-N 3.31Å; S174-E176 PolarHBondContact O-N 3.47Å; E176-K179 PolarHBondContact O-N 3.2Å; E176-K179 IonicContact OE2-NZ 3.61Å; E176-K179 PolarHBondContact OE2-NZ 3.21Å
177	L	91.2	Very high	90.1	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-68.4	-32.7	175.1	-70.7	171.1	0	0	0	112.8	M18 I20 F63 Q86 V120 L173 S174 K179 R180	M18-L177 HydrophobicContact CE-CB 4.18Å; I20-L177 HydrophobicContact CD1-CD1 3.7Å; F63-L177 HydrophobicContact CE1-CD1 4.08Å; Q86-L177 HydrophobicContact CB-CD2 4.09Å; Q86-L177 WeakPolarHBondContact O-CD2 3.23Å; V120-L177 HydrophobicContact CB-CD2 4.1Å; V120-L177 HydrophobicContact CG2-CD2 3.7Å; V120-L177 HydrophobicContact CG2-CG 4.27Å; L173-L177 HydrophobicContact CD1-CD1 3.97Å; L173-L177 HydrophobicContact CD1-CG 4.2Å; L173-L177 HydrophobicContact CG-CD1 3.9Å; L173-L177 WeakPolarHBondContact O-CB 3.4Å; L173-L177 VanDerWaalsContact O-CG 3.25Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 2.87Å; S174-L177 PolarHBondContact O-N 2.8Å; L177-K179 VanDerWaalsContact C-N 3.25Å; L177-K179 PolarHBondContact O-N 3.13Å; L177-R180 PolarHBondContact O-N 3.32Å
178	S	87.2	Confident	89.8	Confident	54 Å²	54	55.4 Å²	55.4	38%	0.378	28%	0.28	S	S	.	.	H	α-helix	trans	-71.1	-18.1	176.9	69.2	0	0	0	0	113.5	S174 N175 R180 S181	S174-S178 WeakPolarHBondContact O-CB 3.38Å; S174-S178 PolarHBondContact O-N 3.22Å; S174-S178 PolarHBondContact O-OG 3.39Å; N175-S178 PolarHBondContact O-OG 3.29Å; S178-R180 VanDerWaalsContact C-N 3.27Å; S178-S181 PolarHBondContact O-OG 3.33Å
179	K	87.7	Confident	89.3	Confident	148 Å²	148	51.6 Å²	51.6	64%	0.643	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-18.5	172.1	-64.7	167.9	-166.7	170	0	113	N175 E176 L177	N175-K179 WeakPolarHBondContact O-CG 2.92Å; E176-K179 PolarHBondContact O-N 3.2Å; E176-K179 IonicContact OE2-NZ 3.61Å; E176-K179 PolarHBondContact OE2-NZ 3.21Å; L177-K179 VanDerWaalsContact C-N 3.25Å; L177-K179 PolarHBondContact O-N 3.13Å
180	R	78.4	Confident	88.7	Confident	119 Å²	119	55.9 Å²	55.9	45%	0.449	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	1.6	-177.5	-61.6	178	175.8	-106.5	-18.6	112.4	D118 L177 S178	D118-R180 PolarHBondContact O-NH1 3.26Å; L177-R180 PolarHBondContact O-N 3.32Å; S178-R180 VanDerWaalsContact C-N 3.27Å
181	S	62.1	Low	88.2	Confident	117 Å²	117	60.7 Å²	60.7	82%	0.818	31%	0.31	S	S	*	.			trans	-86.6	0	-176.3	65.4	0	0	0	0	113.9	K16 S178	K16-S181 VanDerWaalsContact NZ-CA 3.32Å; S178-S181 PolarHBondContact O-OG 3.33Å

Retrieved 181 of 181 residues in 574.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).