A0A077Z4L3_TRITR Loading...

CAP domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4L3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 209 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	35.9	Very low	34.9	Very low	247 Å²	247	166.1 Å²	166.1	100%	1.217	83%	0.827	S	S	*	*				0	107.4	0	-76.7	177	165.8	0	0	108.2
2	Y	34.2	Very low	35.4	Very low	221 Å²	221	163.2 Å²	163.2	87%	0.867	83%	0.825	S	S	*	*			trans	-70.1	130.3	169.6	-100.8	-103.4	0	0	0	109
3	K	36	Very low	35.3	Very low	206 Å²	206	162.2 Å²	162.2	90%	0.896	82%	0.822	S	S	*	*			trans	-122.5	108.6	158.2	-85	-172.2	173.8	-177.2	0	108.1
4	L	36.2	Very low	34.9	Very low	137 Å²	137	157.4 Å²	157.4	72%	0.717	82%	0.819	S	S	*	*			trans	-62.8	150.6	154.8	-74.1	89.9	0	0	0	109.1
5	I	40.6	Very low	35.2	Very low	169 Å²	169	153.8 Å²	153.8	87%	0.867	81%	0.809	S	S	*	*				-171	129	119.9	-87.2	150.1	0	0	0	108.4
6	I	31	Very low	35.2	Very low	135 Å²	135	153 Å²	153	69%	0.692	81%	0.813	S	S	*	*			trans	-81.5	137.3	174.4	-66.6	161.5	0	0	0	108.5
7	A	38.5	Very low	35.9	Very low	100 Å²	100	152.2 Å²	152.2	83%	0.826	81%	0.807	S	S	*	*			trans	-153	120.9	151	0	0	0	0	0	110.2
8	H	30.1	Very low	36.4	Very low	165 Å²	165	152.1 Å²	152.1	76%	0.764	81%	0.806	S	S	*	*			trans	-75.4	170.9	177.9	-75.7	-74.9	0	0	0	113
9	V	33.6	Very low	36.5	Very low	105 Å²	105	148.2 Å²	148.2	64%	0.636	81%	0.805	S	S	*	*			trans	87	107.1	152.9	-141.7	0	0	0	0	115.4
10	F	34.9	Very low	36.7	Very low	181 Å²	181	149.7 Å²	149.7	79%	0.794	80%	0.804	S	S	*	*				-174.2	124.6	85.6	-99	-80.1	0	0	0	110.6	V12	F10-V12 PolarHBondContact O-N 2.9Å
11	I	32.9	Very low	37	Very low	161 Å²	161	147.2 Å²	147.2	83%	0.826	80%	0.798	S	S	*	*			trans	-60.6	112.5	163.9	-66.6	163.9	0	0	0	106.7
12	V	40.2	Very low	37.5	Very low	131 Å²	131	145.2 Å²	145.2	79%	0.794	78%	0.783	S	S	*	*			trans	-110.3	116.6	165.7	-177.7	0	0	0	0	107.9	F10	F10-V12 PolarHBondContact O-N 2.9Å
13	L	34.9	Very low	38.1	Very low	150 Å²	150	141.4 Å²	141.4	79%	0.785	78%	0.778	S	S	*	*			trans	-41.7	136	177.7	-70.3	146.4	0	0	0	113.9
14	A	30.2	Very low	38.8	Very low	95 Å²	95	135.8 Å²	135.8	79%	0.785	77%	0.77	S	S	*	*			trans	-63.3	137.1	160.2	0	0	0	0	0	110.9
15	P	38.2	Very low	39.1	Very low	104 Å²	104	135 Å²	135	68%	0.675	77%	0.773	S	S	*	*			trans	-99.1	119.6	140.5	22.9	-7.4	0	0	0	108.2	I17	P15-I17 PolarHBondContact O-N 3.02Å
16	T	36	Very low	39.3	Very low	141 Å²	141	131 Å²	131	87%	0.865	77%	0.765	S	S	*	*			trans	-40.9	103	156	38.3	0	0	0	0	111.1
17	I	46.4	Very low	40	Very low	140 Å²	140	131 Å²	131	72%	0.718	77%	0.771	S	S	*	*			trans	-105.7	95.1	158.9	-60.1	-179.7	0	0	0	105.9	P15	P15-I17 PolarHBondContact O-N 3.02Å
18	L	44.9	Very low	40.3	Very low	150 Å²	150	132.3 Å²	132.3	79%	0.785	77%	0.769	S	S	*	*			trans	25.5	118.6	145.1	-69.5	156.7	0	0	0	116.5	F20	L18-F20 PolarHBondContact O-N 3.39Å
19	G	38.2	Very low	40.9	Very low	77 Å²	77	131.7 Å²	131.7	79%	0.794	77%	0.771	S	S	*	*			trans	-49.2	116.9	-178.2	0	0	0	0	0	113.6	S21	G19-S21 PolarHBondContact O-N 2.68Å
20	F	40.3	Very low	41.5	Very low	179 Å²	179	136.7 Å²	136.7	79%	0.785	78%	0.779	S	S	*	*			trans	-80.6	83.6	149	-70.8	-80.5	0	0	0	106.8	L18 F22	L18-F20 PolarHBondContact O-N 3.39Å; F20-F22 PolarHBondContact O-N 3.12Å; F20-F22 VanDerWaalsContact O-N 3.12Å
21	S	42.8	Very low	42	Very low	97 Å²	97	133.5 Å²	133.5	68%	0.678	78%	0.776	S	S	*	*			trans	-58.7	113.1	155.7	-63.4	0	0	0	0	106	G19 D23	G19-S21 PolarHBondContact O-N 2.68Å; S21-D23 PolarHBondContact O-N 2.96Å
22	F	47.1	Very low	42.8	Very low	205 Å²	205	129.5 Å²	129.5	90%	0.899	77%	0.774	S	S	*	*			trans	-66	83.6	163	-84.4	-91.4	0	0	0	106.6	F20 A24	F20-F22 PolarHBondContact O-N 3.12Å; F20-F22 VanDerWaalsContact O-N 3.12Å; F22-A24 PolarHBondContact O-N 3.39Å
23	D	46	Very low	43.8	Very low	142 Å²	142	129.9 Å²	129.9	76%	0.759	77%	0.766	S	S	*	*			trans	-62.6	106.6	163.1	-73.8	-27.6	0	0	0	105.9	S21	S21-D23 PolarHBondContact O-N 2.96Å
24	A	51.1	Low	46.1	Very low	87 Å²	87	129.1 Å²	129.1	72%	0.719	76%	0.762	S	S	*	*			trans	-50.1	126.9	165.9	0	0	0	0	0	106.6	F22 A26	F22-A24 PolarHBondContact O-N 3.39Å; A24-A26 PolarHBondContact O-N 2.77Å
25	P	42.9	Very low	49.2	Very low	122 Å²	122	129.5 Å²	129.5	79%	0.792	75%	0.746	S	S	*	*			trans	-56.8	119.4	-172.2	19.9	-30	0	0	0	108.3	V27	P25-V27 PolarHBondContact O-N 3.42Å; P25-V27 VanDerWaalsContact O-N 3.16Å
26	A	44.8	Very low	51.9	Low	84 Å²	84	126.9 Å²	126.9	69%	0.694	73%	0.728	S	S	*	*			trans	-45.3	127	166.6	0	0	0	0	0	106.6	A24 T28	A24-A26 PolarHBondContact O-N 2.77Å; A26-T28 VanDerWaalsContact C-N 3.29Å; A26-T28 PolarHBondContact O-N 3.19Å
27	V	46.6	Very low	54.9	Low	135 Å²	135	122.7 Å²	122.7	82%	0.818	70%	0.704	S	S	*	*			trans	-48.3	103.4	173.1	172.8	0	0	0	0	105.8	P25 D29	P25-V27 PolarHBondContact O-N 3.42Å; P25-V27 VanDerWaalsContact O-N 3.16Å; V27-D29 VanDerWaalsContact C-N 3.3Å; V27-D29 PolarHBondContact O-N 3.31Å
28	T	43.8	Very low	57.3	Low	127 Å²	127	120.9 Å²	120.9	78%	0.779	69%	0.688	S	S	*	*			trans	-69.8	102.6	174.8	42.6	0	0	0	0	103.7	A26 R30	A26-T28 VanDerWaalsContact C-N 3.29Å; A26-T28 PolarHBondContact O-N 3.19Å; T28-R30 PolarHBondContact O-N 3.07Å
29	D	43.1	Very low	59.8	Low	152 Å²	152	117.1 Å²	117.1	81%	0.813	67%	0.673	S	S	*	*			trans	-50.4	107.8	170.2	-134	-4.2	0	0	0	105.5	V27	V27-D29 VanDerWaalsContact C-N 3.3Å; V27-D29 PolarHBondContact O-N 3.31Å
30	R	45.8	Very low	62.7	Low	210 Å²	210	114 Å²	114	79%	0.792	64%	0.637	S	S	*	*			trans	-55.5	137.4	-179.3	-127	-177.7	-172.3	-161.6	3.1	106.2	T28 G32	T28-R30 PolarHBondContact O-N 3.07Å; R30-G32 PolarHBondContact O-N 2.93Å; R30-G32 VanDerWaalsContact O-N 3.07Å
31	P	45	Very low	65.4	Low	115 Å²	115	108.2 Å²	108.2	75%	0.747	62%	0.619	S	S	*	*	S	Bend	trans	-46.8	122.4	-175.6	-25.2	32	0	0	0	110.4	F33	P31-F33 PolarHBondContact O-N 2.86Å
32	G	51	Low	68.1	Low	76 Å²	76	110.1 Å²	110.1	78%	0.784	62%	0.622	S	S	*	*			trans	-44.1	98.8	-163.9	0	0	0	0	0	113.9	R30 L34	R30-G32 PolarHBondContact O-N 2.93Å; R30-G32 VanDerWaalsContact O-N 3.07Å; G32-L34 PolarHBondContact O-N 2.97Å
33	F	60.8	Low	70.5	Confident	140 Å²	140	106.5 Å²	106.5	61%	0.614	61%	0.612	S	S	*	*			trans	-74.3	87.8	160.9	-100.6	-65.8	0	0	0	106.5	P31 K35 G160 T161	P31-F33 PolarHBondContact O-N 2.86Å; F33-K35 PolarHBondContact O-N 2.74Å; F33-G160 VanDerWaalsContact CB-CA 3.44Å; F33-T161 HydrophobicContact CD1-CG2 3.86Å; F33-T161 HydrophobicContact CE1-CG2 3.24Å; F33-T161 HydrophobicContact CZ-CG2 3.75Å
34	L	83.2	Confident	73	Confident	133 Å²	133	101.5 Å²	101.5	70%	0.696	58%	0.584	S	S	*	*			trans	-49.5	128.7	-169.4	-168.4	74.1	0	0	0	111.7	G32 V36	G32-L34 PolarHBondContact O-N 2.97Å; L34-V36 HydrophobicContact CD2-CG2 4.01Å; L34-V36 HydrophobicContact CG-CG2 4.29Å
35	K	94.5	Very high	75.2	Confident	103 Å²	103	97.6 Å²	97.6	45%	0.448	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.1	126.1	164	-175.9	-160.9	80.6	162	0	108.9	F33 D84 T157 T158	F33-K35 PolarHBondContact O-N 2.74Å; K35-D84 HydrophobicContact CD-CB 4.34Å; K35-D84 WeakPolarHBondContact CD-O 3.43Å; K35-D84 IonicContact NZ-OD1 3.78Å; K35-D84 PolarHBondContact NZ-OD1 2.92Å; K35-T157 HydrophobicContact CD-CG2 4Å; K35-T157 HydrophobicContact CG-CG2 3.42Å; K35-T157 VanDerWaalsContact CG-CG2 3.42Å; K35-T158 WeakPolarHBondContact CA-O 3.35Å
36	V	96.7	Very high	77.9	Confident	50 Å²	50	96.4 Å²	96.4	30%	0.303	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	111.4	170.2	-175.3	0	0	0	0	108.5	L34 R38 T157 T158	L34-V36 HydrophobicContact CD2-CG2 4.01Å; L34-V36 HydrophobicContact CG-CG2 4.29Å; V36-R38 HydrophobicContact CG1-CG 4.18Å; V36-R38 PolarHBondContact O-N 3.12Å; V36-T157 WeakPolarHBondContact O-CG2 3.42Å; V36-T158 PolarHBondContact N-O 2.83Å; V36-T158 PolarHBondContact O-N 3.23Å
37	S	97.4	Very high	80.4	Confident	52 Å²	52	94.9 Å²	94.9	36%	0.364	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	132.4	173.2	-171.1	0	0	0	0	109.1	Q80 D84	S37-Q80 PolarHBondContact OG-NE2 2.86Å; S37-Q80 VanDerWaalsContact OG-NE2 3.11Å; S37-D84 VanDerWaalsContact CB-OD1 3.31Å; S37-D84 WeakPolarHBondContact CB-OD1 3.44Å; S37-D84 PolarHBondContact OG-OD1 3.33Å; S37-D84 PolarHBondContact OG-OD2 3.16Å
38	R	97.1	Very high	82.9	Confident	103 Å²	103	88.5 Å²	88.5	39%	0.389	48%	0.479	S	S	.	.			trans	-142.2	61.8	-176.4	-68.1	-170.7	-178	-80.1	-2.7	109.4	V36 R156 T158	V36-R38 HydrophobicContact CG1-CG 4.18Å; V36-R38 PolarHBondContact O-N 3.12Å; R38-R156 CarbonylContact C-O 3.51Å; R38-R156 WeakPolarHBondContact CA-O 3.32Å; R38-R156 HydrophobicContact CB-CG 4.38Å; R38-R156 PolarHBondContact N-O 3.19Å; R38-R156 VanDerWaalsContact O-CB 3.26Å; R38-R156 WeakPolarHBondContact O-CB 3.47Å; R38-R156 PolarHBondContact O-NE 3.29Å; R38-R156 PolarHBondContact O-NH2 3.35Å; R38-T158 WeakPolarHBondContact CD-OG1 3.46Å; R38-T158 PolarHBondContact NE-OG1 3.38Å
39	P	98	Very high	85.5	Confident	71 Å²	71	83.1 Å²	83.1	46%	0.461	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-52.2	150	-177.8	24.1	-34.5	0	0	0	111.2	Q80 R156	P39-Q80 VanDerWaalsContact CA-OE1 3.25Å; P39-Q80 HydrophobicContact CB-CG 4.33Å; P39-R156 PolarHBondContact O-NH2 3.24Å
40	F	98.4	Very high	88.1	Confident	10 Å²	10	78.7 Å²	78.7	4%	0.044	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-70	135.1	167.3	-70	-72.6	0	0	0	108.5	E44 Q45 M48 T108 C154 R156 I165	F40-E44 WeakPolarHBondContact CA-OE2 3.31Å; F40-E44 HydrophobicContact CB-CB 3.82Å; F40-E44 HydrophobicContact CD1-CB 3.66Å; F40-E44 HydrophobicContact CD1-CG 4.23Å; F40-E44 HydrophobicContact CG-CB 4.18Å; F40-Q45 HydrophobicContact CB-CG 4.24Å; F40-M48 HydrophobicContact CE2-CE 4.45Å; F40-M48 HydrophobicContact CZ-CE 4.39Å; F40-T108 WeakPolarHBondContact CE1-O 3.36Å; F40-C154 HydrophobicContact CD2-CB 3.8Å; F40-C154 HydrophobicContact CE2-CB 3.84Å; F40-R156 HydrophobicContact CD2-CB 3.96Å; F40-R156 VanDerWaalsContact CE1-NH1 3.32Å; F40-R156 HydrophobicContact CE2-CB 3.64Å; F40-R156 HydrophobicContact CZ-CB 3.97Å; F40-R156 HydrophobicContact CZ-CG 4.48Å; F40-I165 HydrophobicContact CE2-CG1 4.47Å; F40-I165 HydrophobicContact CE2-CG2 3.88Å; F40-I165 HydrophobicContact CZ-CD1 4.02Å; F40-I165 HydrophobicContact CZ-CG1 4.15Å; F40-I165 HydrophobicContact CZ-CG2 4.07Å
41	S	97.9	Very high	90.6	Very high	58 Å²	58	71.1 Å²	71.1	41%	0.406	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-65.5	163.4	166.3	56.2	0	0	0	0	111.4	D43 E44 Q45	S41-D43 VanDerWaalsContact C-N 3.26Å; S41-D43 PolarHBondContact O-N 2.92Å; S41-E44 PolarHBondContact N-OE2 2.79Å; S41-E44 CarbonylContact O-C 3.52Å; S41-E44 WeakPolarHBondContact O-CA 3.22Å; S41-E44 WeakPolarHBondContact O-CB 3.37Å; S41-E44 PolarHBondContact O-N 2.93Å; S41-E44 WeakPolarHBondContact OG-CG 3.38Å; S41-E44 PolarHBondContact OG-N 3.19Å; S41-E44 PolarHBondContact OG-OE2 3.25Å; S41-E44 VanDerWaalsContact OG-OE2 3.1Å; S41-Q45 WeakPolarHBondContact O-CG 3.41Å; S41-Q45 PolarHBondContact O-N 3.49Å
42	D	98.3	Very high	93.1	Very high	137 Å²	137	65.7 Å²	65.7	73%	0.733	37%	0.368	S	S	*	.	H	α-helix	trans	-54.6	-43.2	178	-58.5	-15.4	0	0	0	111.9	E44 Q45 M46	D42-E44 VanDerWaalsContact C-N 3.33Å; D42-E44 PolarHBondContact O-N 2.97Å; D42-Q45 WeakPolarHBondContact O-CB 3.48Å; D42-Q45 PolarHBondContact O-N 3.47Å; D42-Q45 VanDerWaalsContact O-N 3.15Å; D42-M46 WeakPolarHBondContact O-CG 3.5Å; D42-M46 PolarHBondContact O-N 2.82Å
43	D	98	Very high	95.4	Very high	130 Å²	130	63 Å²	63	70%	0.695	34%	0.336	S	S	*	.	H	α-helix	trans	-60.1	-42.1	174.4	-71.3	-17.5	0	0	0	111.8	S41 M46 V47	S41-D43 VanDerWaalsContact C-N 3.26Å; S41-D43 PolarHBondContact O-N 2.92Å; D43-M46 PolarHBondContact O-N 3.09Å; D43-V47 VanDerWaalsContact O-CG2 3.27Å; D43-V47 WeakPolarHBondContact O-CG2 3.32Å; D43-V47 PolarHBondContact O-N 3.1Å
44	E	98.1	Very high	97.1	Very high	37 Å²	37	60.1 Å²	60.1	17%	0.173	33%	0.326	C	S	.	.	H	α-helix	trans	-68.4	-32.7	176.3	-73	174.7	118	0	0	112.5	F40 S41 D42 V47 M48 R156	F40-E44 WeakPolarHBondContact CA-OE2 3.31Å; F40-E44 HydrophobicContact CB-CB 3.82Å; F40-E44 HydrophobicContact CD1-CB 3.66Å; F40-E44 HydrophobicContact CD1-CG 4.23Å; F40-E44 HydrophobicContact CG-CB 4.18Å; S41-E44 PolarHBondContact N-OE2 2.79Å; S41-E44 CarbonylContact O-C 3.52Å; S41-E44 WeakPolarHBondContact O-CA 3.22Å; S41-E44 WeakPolarHBondContact O-CB 3.37Å; S41-E44 PolarHBondContact O-N 2.93Å; S41-E44 WeakPolarHBondContact OG-CG 3.38Å; S41-E44 PolarHBondContact OG-N 3.19Å; S41-E44 PolarHBondContact OG-OE2 3.25Å; S41-E44 VanDerWaalsContact OG-OE2 3.1Å; D42-E44 VanDerWaalsContact C-N 3.33Å; D42-E44 PolarHBondContact O-N 2.97Å; E44-V47 PolarHBondContact O-N 3.41Å; E44-M48 WeakPolarHBondContact O-CG 3.46Å; E44-M48 PolarHBondContact O-N 3.09Å; E44-R156 IonicContact OE1-CZ 3.09Å; E44-R156 IonicContact OE1-NH1 3.13Å; E44-R156 PolarHBondContact OE1-NH1 2.99Å; E44-R156 IonicContact OE1-NH2 3.46Å; E44-R156 PolarHBondContact OE1-NH2 2.83Å; E44-R156 VanDerWaalsContact OE1-NH2 3.09Å; E44-R156 IonicContact OE2-NH2 3.13Å; E44-R156 PolarHBondContact OE2-NH2 3.04Å; E44-R156 VanDerWaalsContact OE2-NH2 3.13Å
45	Q	98.6	Very high	97.8	Very high	4 Å²	4	54 Å²	54	2%	0.019	30%	0.295	C	S	.	.	H	α-helix	trans	-64.7	-43.6	173	-62.1	-69.6	-6.1	0	0	111.1	F40 S41 D42 V47 M48 L49 V71 V76 C154	F40-Q45 HydrophobicContact CB-CG 4.24Å; S41-Q45 WeakPolarHBondContact O-CG 3.41Å; S41-Q45 PolarHBondContact O-N 3.49Å; D42-Q45 WeakPolarHBondContact O-CB 3.48Å; D42-Q45 PolarHBondContact O-N 3.47Å; D42-Q45 VanDerWaalsContact O-N 3.15Å; Q45-V47 VanDerWaalsContact C-N 3.31Å; Q45-V47 PolarHBondContact O-N 2.79Å; Q45-M48 WeakPolarHBondContact O-CB 3.46Å; Q45-M48 PolarHBondContact O-N 3.13Å; Q45-M48 VanDerWaalsContact O-N 3.14Å; Q45-L49 PolarHBondContact O-N 2.81Å; Q45-V71 HydrophobicContact CB-CB 4.46Å; Q45-V71 HydrophobicContact CB-CG1 3.79Å; Q45-V71 HydrophobicContact CB-CG2 3.89Å; Q45-V71 HydrophobicContact CG-CG1 4.21Å; Q45-V76 HydrophobicContact CG-CG2 4.18Å; Q45-C154 PolarHBondContact NE2-O 3.13Å
46	M	98.3	Very high	97.9	Very high	97 Å²	97	49.2 Å²	49.2	48%	0.478	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-37.7	176.2	-67	-55.9	-68.8	0	0	111.7	D42 D43 M48 L49 A50 V71	D42-M46 WeakPolarHBondContact O-CG 3.5Å; D42-M46 PolarHBondContact O-N 2.82Å; D43-M46 PolarHBondContact O-N 3.09Å; M46-M48 VanDerWaalsContact C-N 3.35Å; M46-L49 HydrophobicContact CE-CD2 4.18Å; M46-L49 PolarHBondContact O-N 3.16Å; M46-L49 HydrophobicContact SD-CD2 4.35Å; M46-A50 WeakPolarHBondContact O-CB 3.32Å; M46-A50 PolarHBondContact O-N 2.97Å; M46-V71 HydrophobicContact SD-CB 4.46Å; M46-V71 HydrophobicContact SD-CG2 3.82Å
47	V	98.1	Very high	97.9	Very high	53 Å²	53	47.2 Å²	47.2	32%	0.321	26%	0.263	S	S	.	.	H	α-helix	trans	-63.4	-41	172	167.7	0	0	0	0	111.1	D43 E44 Q45 A50 H51 Y110	D43-V47 VanDerWaalsContact O-CG2 3.27Å; D43-V47 WeakPolarHBondContact O-CG2 3.32Å; D43-V47 PolarHBondContact O-N 3.1Å; E44-V47 PolarHBondContact O-N 3.41Å; Q45-V47 VanDerWaalsContact C-N 3.31Å; Q45-V47 PolarHBondContact O-N 2.79Å; V47-A50 PolarHBondContact O-N 2.89Å; V47-H51 VanDerWaalsContact CG1-CD2 3.44Å; V47-H51 WeakPolarHBondContact CG1-CD2 3.35Å; V47-H51 WeakPolarHBondContact O-CB 3.44Å; V47-H51 PolarHBondContact O-CD2 3.3Å; V47-H51 PolarHBondContact O-N 2.83Å; V47-Y110 HydrophobicContact CG1-CD2 3.56Å; V47-Y110 HydrophobicContact CG1-CE2 3.79Å; V47-Y110 HydrophobicContact CG1-CG 4.08Å
48	M	98.3	Very high	97.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-49.6	173.6	-80.1	-68.2	-93.7	0	0	111.4	F40 E44 Q45 M46 A50 H51 H52 Y110 Y113 C154 I165 C167	F40-M48 HydrophobicContact CE2-CE 4.45Å; F40-M48 HydrophobicContact CZ-CE 4.39Å; E44-M48 WeakPolarHBondContact O-CG 3.46Å; E44-M48 PolarHBondContact O-N 3.09Å; Q45-M48 WeakPolarHBondContact O-CB 3.46Å; Q45-M48 PolarHBondContact O-N 3.13Å; Q45-M48 VanDerWaalsContact O-N 3.14Å; M46-M48 VanDerWaalsContact C-N 3.35Å; M48-A50 VanDerWaalsContact C-N 3.35Å; M48-A50 PolarHBondContact O-N 3.49Å; M48-H51 PolarHBondContact O-N 2.94Å; M48-H52 PolarHBondContact O-N 3.26Å; M48-H52 PolarHBondContact O-ND1 3.44Å; M48-Y110 WeakPolarHBondContact SD-CA 3.16Å; M48-Y110 WeakPolarHBondContact SD-CB 3.31Å; M48-Y113 HydrophobicContact CE-CD1 3.75Å; M48-Y113 HydrophobicContact CE-CD2 4.39Å; M48-Y113 HydrophobicContact CE-CE1 4.33Å; M48-Y113 HydrophobicContact CE-CG 3.8Å; M48-C154 HydrophobicContact CE-CB 4.02Å; M48-C154 WeakPolarHBondContact CE-SG 3.45Å; M48-I165 HydrophobicContact CE-CG2 4.28Å; M48-C167 WeakPolarHBondContact CE-SG 3.23Å
49	L	98.5	Very high	97.7	Very high	14 Å²	14	44.8 Å²	44.8	7%	0.073	25%	0.254	C	S	.	.	H	α-helix	trans	-54.4	-50.5	176.2	176.2	67.8	0	0	0	111.5	Q45 M46 H51 H52 N53 L68 V71 I152	Q45-L49 PolarHBondContact O-N 2.81Å; M46-L49 HydrophobicContact CE-CD2 4.18Å; M46-L49 PolarHBondContact O-N 3.16Å; M46-L49 HydrophobicContact SD-CD2 4.35Å; L49-H51 PolarHBondContact O-N 3.25Å; L49-H52 PolarHBondContact O-N 3.12Å; L49-N53 PolarHBondContact O-N 2.92Å; L49-L68 HydrophobicContact CD1-CB 3.29Å; L49-L68 HydrophobicContact CD1-CD1 4.34Å; L49-L68 HydrophobicContact CD1-CG 4.42Å; L49-V71 HydrophobicContact CB-CG2 4.05Å; L49-V71 HydrophobicContact CD2-CG2 4.22Å; L49-I152 HydrophobicContact CB-CG2 4.36Å; L49-I152 HydrophobicContact CD1-CG2 3.75Å
50	A	97.9	Very high	97.3	Very high	58 Å²	58	45.2 Å²	45.2	48%	0.479	26%	0.255	S	S	.	.	H	α-helix	trans	-62.2	-45	-178.8	0	0	0	0	0	112.4	M46 V47 M48 H52 N53 L54	M46-A50 WeakPolarHBondContact O-CB 3.32Å; M46-A50 PolarHBondContact O-N 2.97Å; V47-A50 PolarHBondContact O-N 2.89Å; M48-A50 VanDerWaalsContact C-N 3.35Å; M48-A50 PolarHBondContact O-N 3.49Å; A50-H52 PolarHBondContact O-N 3.23Å; A50-N53 PolarHBondContact O-N 2.99Å; A50-L54 WeakPolarHBondContact O-CB 3.39Å; A50-L54 PolarHBondContact O-N 2.88Å
51	H	98	Very high	97.1	Very high	52 Å²	52	48 Å²	48	24%	0.241	27%	0.27	C	S	.	.	H	α-helix	trans	-66.6	-35.9	177.9	-78.7	-53	0	0	0	112.8	V47 M48 L49 A55 L111 V114	V47-H51 VanDerWaalsContact CG1-CD2 3.44Å; V47-H51 WeakPolarHBondContact CG1-CD2 3.35Å; V47-H51 WeakPolarHBondContact O-CB 3.44Å; V47-H51 PolarHBondContact O-CD2 3.3Å; V47-H51 PolarHBondContact O-N 2.83Å; M48-H51 PolarHBondContact O-N 2.94Å; L49-H51 PolarHBondContact O-N 3.25Å; H51-A55 WeakPolarHBondContact O-CB 3.42Å; H51-A55 PolarHBondContact O-N 2.94Å; H51-L111 WeakPolarHBondContact CE1-CD2 3.33Å; H51-L111 VanDerWaalsContact NE2-CD2 3.31Å; H51-L111 WeakPolarHBondContact NE2-CD2 3.49Å; H51-V114 HydrophobicContact CB-CG2 4.27Å
52	H	98.4	Very high	96.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.7	-52	172.5	-80.3	76.5	0	0	0	110.9	M48 L49 A50 L54 A55 R56 L68 Y113 V114 Y169	M48-H52 PolarHBondContact O-N 3.26Å; M48-H52 PolarHBondContact O-ND1 3.44Å; L49-H52 PolarHBondContact O-N 3.12Å; A50-H52 PolarHBondContact O-N 3.23Å; H52-L54 PolarHBondContact O-N 3.36Å; H52-A55 PolarHBondContact O-N 3.46Å; H52-R56 WeakPolarHBondContact O-CB 3.41Å; H52-R56 WeakPolarHBondContact O-CD 3.31Å; H52-R56 WeakPolarHBondContact O-CG 3.36Å; H52-R56 PolarHBondContact O-N 3.25Å; H52-L68 HydrophobicContact CB-CD1 3.57Å; H52-Y113 AromaticContact CE1-CD1 3.81Å; H52-Y113 AromaticContact CE1-CE1 3.82Å; H52-Y113 AromaticContact NE2-CD1 3.88Å; H52-Y113 AromaticContact NE2-CE1 3.52Å; H52-V114 VanDerWaalsContact CE1-CG2 3.47Å; H52-V114 WeakPolarHBondContact CE1-CG2 3.48Å; H52-V114 WeakPolarHBondContact ND1-CG2 3.27Å; H52-Y169 AromaticContact CD2-CE1 3.95Å; H52-Y169 AromaticContact NE2-CE1 3.92Å; H52-Y169 AromaticContact NE2-CZ 3.89Å; H52-Y169 PolarHBondContact NE2-OH 2.97Å
53	N	98.1	Very high	96.8	Very high	20 Å²	20	39 Å²	39	11%	0.107	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-41.4	-179.3	-76.9	-20.3	0	0	0	112	L49 A50 A55 R56 G57 L68 L204	L49-N53 PolarHBondContact O-N 2.92Å; A50-N53 PolarHBondContact O-N 2.99Å; N53-A55 PolarHBondContact O-N 3.11Å; N53-R56 PolarHBondContact O-N 2.71Å; N53-G57 PolarHBondContact O-N 3.48Å; N53-L68 PolarHBondContact ND2-O 3.38Å; N53-L68 PolarHBondContact OD1-N 2.93Å; N53-L204 HydrophobicContact CB-CD1 3.77Å; N53-L204 WeakPolarHBondContact O-CD1 3.33Å
54	L	97.3	Very high	96.7	Very high	80 Å²	80	33.3 Å²	33.3	42%	0.419	19%	0.187	S	C	.	.	H	α-helix	trans	-58.5	-48.3	175	-177.4	65.5	0	0	0	111.9	A50 H52 N58	A50-L54 WeakPolarHBondContact O-CB 3.39Å; A50-L54 PolarHBondContact O-N 2.88Å; H52-L54 PolarHBondContact O-N 3.36Å; L54-N58 WeakPolarHBondContact O-CB 3.26Å; L54-N58 VanDerWaalsContact O-CG 3.27Å; L54-N58 PolarHBondContact O-N 3.36Å; L54-N58 VanDerWaalsContact O-N 3.1Å; L54-N58 PolarHBondContact O-ND2 3.18Å
55	A	97.3	Very high	96.7	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.033	18%	0.179	C	C	.	.	H	α-helix	trans	-68.5	-41.6	179.9	0	0	0	0	0	112.3	H51 H52 N53 G57 N58 M59 V114 F118 F145	H51-A55 WeakPolarHBondContact O-CB 3.42Å; H51-A55 PolarHBondContact O-N 2.94Å; H52-A55 PolarHBondContact O-N 3.46Å; N53-A55 PolarHBondContact O-N 3.11Å; A55-G57 VanDerWaalsContact C-N 3.31Å; A55-G57 PolarHBondContact O-N 3.39Å; A55-N58 PolarHBondContact O-N 3.2Å; A55-M59 PolarHBondContact O-N 2.92Å; A55-V114 HydrophobicContact CB-CG1 3.3Å; A55-F118 HydrophobicContact CB-CD2 4.22Å; A55-F118 WeakPolarHBondContact O-CE2 3.41Å; A55-F145 HydrophobicContact CB-CE1 4.15Å; A55-F145 HydrophobicContact CB-CZ 4.15Å
56	R	97.6	Very high	96.7	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.011	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-43.4	177.1	-75.9	171	70.8	79	1.7	111.1	H52 N53 M59 M65 Q66 V144 F145 W146 Y147 L204	H52-R56 WeakPolarHBondContact O-CB 3.41Å; H52-R56 WeakPolarHBondContact O-CD 3.31Å; H52-R56 WeakPolarHBondContact O-CG 3.36Å; H52-R56 PolarHBondContact O-N 3.25Å; N53-R56 PolarHBondContact O-N 2.71Å; R56-M59 WeakPolarHBondContact O-CB 3.39Å; R56-M59 PolarHBondContact O-N 3.31Å; R56-M65 HydrophobicContact CB-CG 3.81Å; R56-M65 HydrophobicContact CB-SD 4.39Å; R56-M65 HydrophobicContact CG-CG 4.36Å; R56-M65 HydrophobicContact CG-SD 4.37Å; R56-M65 PolarHBondContact NH2-SD 2.88Å; R56-Q66 VanDerWaalsContact CZ-O 3.29Å; R56-Q66 PolarHBondContact NE-O 3.41Å; R56-Q66 PolarHBondContact NH2-O 2.96Å; R56-V144 PolarHBondContact NH1-O 3.33Å; R56-F145 HydrophobicContact CG-CD1 4.19Å; R56-F145 HydrophobicContact CG-CE1 4.34Å; R56-W146 VanDerWaalsContact CZ-O 3.29Å; R56-W146 PolarHBondContact NH1-O 2.96Å; R56-W146 PolarHBondContact NH2-O 2.03Å; R56-Y147 PolarHBondContact NH2-O 3Å; R56-L204 HydrophobicContact CB-CD1 4.43Å; R56-L204 HydrophobicContact CB-CD2 3.96Å
57	G	96.3	Very high	96.7	Very high	7 Å²	7	27.2 Å²	27.2	7%	0.072	16%	0.158	C	C	.	.	H	α-helix	trans	-67.3	-38.2	177.4	0	0	0	0	0	113.5	N53 A55 M59 N202	N53-G57 PolarHBondContact O-N 3.48Å; A55-G57 VanDerWaalsContact C-N 3.31Å; A55-G57 PolarHBondContact O-N 3.39Å; G57-M59 PolarHBondContact O-N 3.37Å; G57-N202 WeakPolarHBondContact CA-O 3.35Å
58	N	95.5	Very high	96.7	Very high	96 Å²	96	24.9 Å²	24.9	51%	0.513	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	0.6	179.8	-74.2	-25.1	0	0	0	114.6	L54 A55 T60 F118	L54-N58 WeakPolarHBondContact O-CB 3.26Å; L54-N58 VanDerWaalsContact O-CG 3.27Å; L54-N58 PolarHBondContact O-N 3.36Å; L54-N58 VanDerWaalsContact O-N 3.1Å; L54-N58 PolarHBondContact O-ND2 3.18Å; A55-N58 PolarHBondContact O-N 3.2Å; N58-T60 PolarHBondContact O-N 2.76Å; N58-F118 HydrophobicContact CB-CE2 4.37Å; N58-F118 HydrophobicContact CB-CZ 4.25Å
59	M	93.9	Very high	96.7	Very high	9 Å²	9	27.2 Å²	27.2	4%	0.044	16%	0.16	C	C	.	.	S	Bend	trans	-70	122.6	178.4	-171.3	58.4	67.1	0	0	110.8	A55 R56 G57 N61 Q62 F118 L122 F141 F145 F180	A55-M59 PolarHBondContact O-N 2.92Å; R56-M59 WeakPolarHBondContact O-CB 3.39Å; R56-M59 PolarHBondContact O-N 3.31Å; G57-M59 PolarHBondContact O-N 3.37Å; M59-N61 PolarHBondContact O-N 3.12Å; M59-Q62 HydrophobicContact CB-CB 4.27Å; M59-Q62 HydrophobicContact CB-CG 4.16Å; M59-Q62 WeakPolarHBondContact O-CG 3.4Å; M59-Q62 PolarHBondContact O-N 3.13Å; M59-F118 HydrophobicContact CE-CD2 3.44Å; M59-F118 VanDerWaalsContact CE-CD2 3.44Å; M59-F118 HydrophobicContact CE-CE2 3.7Å; M59-F118 HydrophobicContact CE-CG 4.46Å; M59-F118 HydrophobicContact SD-CE2 4.26Å; M59-L122 HydrophobicContact SD-CD2 4.02Å; M59-F141 HydrophobicContact CE-CE2 3.75Å; M59-F141 HydrophobicContact SD-CE2 4.46Å; M59-F145 HydrophobicContact CB-CD1 4.43Å; M59-F145 HydrophobicContact CE-CD1 3.35Å; M59-F145 HydrophobicContact CE-CD2 3.89Å; M59-F145 HydrophobicContact CE-CE1 3.3Å; M59-F145 HydrophobicContact CE-CE2 3.86Å; M59-F145 HydrophobicContact CE-CG 3.67Å; M59-F145 HydrophobicContact CE-CZ 3.6Å; M59-F180 HydrophobicContact CG-CE1 3.72Å; M59-F180 HydrophobicContact CG-CE2 3.74Å; M59-F180 HydrophobicContact CG-CZ 3.22Å; M59-F180 HydrophobicContact SD-CE1 4.43Å; M59-F180 HydrophobicContact SD-CZ 3.95Å
60	T	91.4	Very high	96.6	Very high	79 Å²	79	30.6 Å²	30.6	49%	0.485	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	133.3	-174.3	-55.3	0	0	0	0	112.4	N58 Q62	N58-T60 PolarHBondContact O-N 2.76Å; T60-Q62 PolarHBondContact O-N 3.28Å
61	N	92.7	Very high	96.7	Very high	69 Å²	69	29.3 Å²	29.3	37%	0.369	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	11.1	176.9	-57.8	-21.9	0	0	0	115.2	M59 V63 Q182 Y183	M59-N61 PolarHBondContact O-N 3.12Å; N61-V63 WeakPolarHBondContact O-CG1 3.31Å; N61-Q182 HydrophobicContact CB-CB 4.21Å; N61-Q182 HydrophobicContact CB-CG 4.22Å; N61-Q182 CarbonylContact O-C 2.95Å; N61-Q182 WeakPolarHBondContact O-CA 3.41Å; N61-Y183 PolarHBondContact O-N 3.38Å
62	Q	94.7	Very high	96.7	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.014	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-65.5	138.5	174	76.3	77.8	14.1	0	0	110	M59 T60 M65 F180 Y203	M59-Q62 HydrophobicContact CB-CB 4.27Å; M59-Q62 HydrophobicContact CB-CG 4.16Å; M59-Q62 WeakPolarHBondContact O-CG 3.4Å; M59-Q62 PolarHBondContact O-N 3.13Å; T60-Q62 PolarHBondContact O-N 3.28Å; Q62-M65 HydrophobicContact CB-CB 4.48Å; Q62-M65 HydrophobicContact CB-CE 4.31Å; Q62-M65 VanDerWaalsContact CD-CB 3.48Å; Q62-M65 HydrophobicContact CG-CB 4.17Å; Q62-F180 HydrophobicContact CB-CD2 3.74Å; Q62-F180 HydrophobicContact CB-CE2 4.06Å; Q62-F180 HydrophobicContact CB-CG 4.41Å; Q62-Y203 PolarHBondContact NE2-O 2.99Å
63	V	96.2	Very high	96.7	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.012	19%	0.194	C	C	.	.	S	Bend	trans	-132.1	-0.8	-176.6	-61.8	0	0	0	0	115	N61 I181 G187 C189 L190 F191	N61-V63 WeakPolarHBondContact O-CG1 3.31Å; V63-I181 HydrophobicContact CG2-CB 3.91Å; V63-I181 HydrophobicContact CG2-CG2 3.68Å; V63-I181 WeakPolarHBondContact CG2-O 3.24Å; V63-I181 PolarHBondContact N-O 3.15Å; V63-G187 WeakPolarHBondContact CB-O 3.01Å; V63-G187 WeakPolarHBondContact CG1-O 3.41Å; V63-C189 CarbonylContact O-C 3.33Å; V63-C189 WeakPolarHBondContact O-CA 3.49Å; V63-C189 PolarHBondContact O-N 3.35Å; V63-L190 HydrophobicContact CB-CB 4.31Å; V63-L190 HydrophobicContact CG1-CD1 4.44Å; V63-L190 PolarHBondContact O-N 2.75Å; V63-L190 VanDerWaalsContact O-N 3.07Å; V63-F191 HydrophobicContact CB-CD2 4.32Å; V63-F191 HydrophobicContact CG2-CD2 3.41Å; V63-F191 VanDerWaalsContact CG2-CD2 3.41Å; V63-F191 HydrophobicContact CG2-CE2 3.74Å; V63-F191 PolarHBondContact O-N 3.28Å; V63-F191 VanDerWaalsContact O-N 3.07Å
64	N	96.5	Very high	96.8	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.059	22%	0.217	C	C	.	.	S	Bend	trans	-140.3	10.4	-175.7	82.2	-42.5	0	0	0	113.8	Q66 Y147 I181 F191	N64-Q66 PolarHBondContact O-N 3.41Å; N64-Y147 VanDerWaalsContact ND2-CD2 3.26Å; N64-Y147 WeakPolarHBondContact ND2-CD2 3.39Å; N64-I181 HydrophobicContact CB-CD1 4.42Å; N64-I181 PolarHBondContact OD1-N 3.46Å; N64-F191 HydrophobicContact CB-CB 3.87Å
65	M	97.6	Very high	96.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-67	124.1	-176.8	-167.6	75.1	70.1	0	0	109.7	R56 Q62 F145 F180 L204 C205	R56-M65 HydrophobicContact CB-CG 3.81Å; R56-M65 HydrophobicContact CB-SD 4.39Å; R56-M65 HydrophobicContact CG-CG 4.36Å; R56-M65 HydrophobicContact CG-SD 4.37Å; R56-M65 PolarHBondContact NH2-SD 2.88Å; Q62-M65 HydrophobicContact CB-CB 4.48Å; Q62-M65 HydrophobicContact CB-CE 4.31Å; Q62-M65 VanDerWaalsContact CD-CB 3.48Å; Q62-M65 HydrophobicContact CG-CB 4.17Å; M65-F145 HydrophobicContact CE-CB 4.16Å; M65-F145 HydrophobicContact CE-CD1 4.29Å; M65-F145 WeakPolarHBondContact CE-O 3.4Å; M65-F145 VanDerWaalsContact SD-O 3.35Å; M65-F180 HydrophobicContact CE-CB 3.71Å; M65-F180 HydrophobicContact CE-CD1 3.45Å; M65-F180 VanDerWaalsContact CE-CD1 3.45Å; M65-F180 HydrophobicContact CE-CD2 4.37Å; M65-F180 HydrophobicContact CE-CE1 4.15Å; M65-F180 HydrophobicContact CE-CG 3.6Å; M65-F180 HydrophobicContact SD-CB 4.48Å; M65-L204 HydrophobicContact CB-CD2 3.67Å; M65-L204 HydrophobicContact CG-CD2 3.51Å; M65-L204 CarbonylContact O-C 3.58Å; M65-L204 WeakPolarHBondContact O-CA 3.17Å; M65-C205 PolarHBondContact O-N 3.4Å
66	Q	98.3	Very high	96.9	Very high	5 Å²	5	37 Å²	37	2%	0.023	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-83.7	151.3	176	-64.4	174.7	-7.2	0	0	110.9	R56 N64 Y147 A149 Q193 K196 C205	R56-Q66 VanDerWaalsContact CZ-O 3.29Å; R56-Q66 PolarHBondContact NE-O 3.41Å; R56-Q66 PolarHBondContact NH2-O 2.96Å; N64-Q66 PolarHBondContact O-N 3.41Å; Q66-Y147 WeakPolarHBondContact CB-O 3.23Å; Q66-Y147 WeakPolarHBondContact CG-O 2.97Å; Q66-Y147 PolarHBondContact N-O 3.15Å; Q66-A149 HydrophobicContact CB-CB 4.1Å; Q66-A149 VanDerWaalsContact OE1-N 3.09Å; Q66-A149 PolarHBondContact OE1-O 3.31Å; Q66-Q193 VanDerWaalsContact NE2-OE1 3.17Å; Q66-K196 HydrophobicContact CB-CD 3.85Å; Q66-K196 HydrophobicContact CG-CB 4.4Å; Q66-K196 HydrophobicContact CG-CD 3.96Å; Q66-C205 CarbonylContact C-O 3.6Å; Q66-C205 WeakPolarHBondContact CA-O 3.25Å; Q66-C205 WeakPolarHBondContact CB-O 3.42Å; Q66-C205 HydrophobicContact CG-CB 3.97Å
67	C	98.2	Very high	97	Very high	6 Å²	6	40.6 Å²	40.6	4%	0.041	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-77	151.7	167.6	61.3	0	0	0	0	111.4	A149 L204 C205 C206	C67-A149 WeakPolarHBondContact O-CB 3.4Å; C67-L204 HydrophobicContact CB-CB 3.89Å; C67-L204 HydrophobicContact CB-CD1 3.75Å; C67-L204 HydrophobicContact CB-CG 4.47Å; C67-C205 PolarHBondContact N-O 2.66Å; C67-C206 HydrophobicContact CB-CB 4.41Å; C67-C206 WeakPolarHBondContact CB-SG 3.38Å; C67-C206 WeakPolarHBondContact SG-CA 3.42Å; C67-C206 WeakPolarHBondContact SG-CB 3.35Å; C67-C206 CovalentContact SG-SG 2.03Å; C67-C206 PolarHBondContact SG-SG 3.49Å
68	L	98.6	Very high	97.1	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-76	121.7	157.3	-66.6	162.7	0	0	0	106.8	L49 H52 N53 A149 D150 I152 Y169	L49-L68 HydrophobicContact CD1-CB 3.29Å; L49-L68 HydrophobicContact CD1-CD1 4.34Å; L49-L68 HydrophobicContact CD1-CG 4.42Å; H52-L68 HydrophobicContact CB-CD1 3.57Å; N53-L68 PolarHBondContact ND2-O 3.38Å; N53-L68 PolarHBondContact OD1-N 2.93Å; L68-A149 HydrophobicContact CD2-CB 3.76Å; L68-A149 HydrophobicContact CG-CB 4.07Å; L68-D150 CarbonylContact C-O 3.56Å; L68-D150 WeakPolarHBondContact CA-O 3.43Å; L68-I152 HydrophobicContact CD1-CB 4.15Å; L68-I152 HydrophobicContact CD1-CD1 3.98Å; L68-I152 HydrophobicContact CD1-CG2 4.15Å; L68-I152 HydrophobicContact CD2-CB 4.08Å; L68-Y169 HydrophobicContact CD2-CD1 4.46Å
69	S	96.9	Very high	97.2	Very high	50 Å²	50	38.3 Å²	38.3	35%	0.35	21%	0.205	S	C	.	.			trans	-81.4	-36	-175.2	-63.3	0	0	0	0	112.4	D150 K196 D207	S69-D150 PolarHBondContact N-O 3.14Å; S69-K196 PolarHBondContact OG-NZ 2.89Å; S69-D207 PolarHBondContact OG-OD2 3.07Å
70	D	98.2	Very high	97.4	Very high	85 Å²	85	38.8 Å²	38.8	46%	0.455	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	167.5	-174.7	-147.4	-10.5	0	0	0	113.6	E151 I152	D70-E151 WeakPolarHBondContact O-CA 3.37Å; D70-I152 PolarHBondContact O-N 3.37Å; D70-I152 VanDerWaalsContact O-N 3.15Å
71	V	98.8	Very high	97.7	Very high	30 Å²	30	40.3 Å²	40.3	18%	0.182	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128	165.6	176.2	0	0	0	0	109	Q45 M46 L49 V76 I152	Q45-V71 HydrophobicContact CB-CB 4.46Å; Q45-V71 HydrophobicContact CB-CG1 3.79Å; Q45-V71 HydrophobicContact CB-CG2 3.89Å; Q45-V71 HydrophobicContact CG-CG1 4.21Å; M46-V71 HydrophobicContact SD-CB 4.46Å; M46-V71 HydrophobicContact SD-CG2 3.82Å; L49-V71 HydrophobicContact CB-CG2 4.05Å; L49-V71 HydrophobicContact CD2-CG2 4.22Å; V71-V76 HydrophobicContact CG1-CG2 3.66Å; V71-I152 CarbonylContact C-O 3.5Å; V71-I152 VanDerWaalsContact CA-O 3.27Å; V71-I152 WeakPolarHBondContact CA-O 3.49Å
72	N	98.8	Very high	98	Very high	34 Å²	34	37.3 Å²	37.3	18%	0.182	20%	0.196	C	C	.	.			trans	-109	124.9	178.3	-179.3	-67	0	0	0	111	D74 L75 V76 E151 I152	N72-D74 VanDerWaalsContact C-N 3.33Å; N72-D74 PolarHBondContact O-N 2.89Å; N72-D74 WeakPolarHBondContact OD1-CA 3Å; N72-D74 WeakPolarHBondContact OD1-CB 3.07Å; N72-D74 PolarHBondContact OD1-N 3.37Å; N72-L75 HydrophobicContact CB-CB 4.24Å; N72-L75 HydrophobicContact CB-CD1 4.02Å; N72-L75 HydrophobicContact CB-CG 3.98Å; N72-L75 WeakPolarHBondContact O-CB 2.99Å; N72-L75 PolarHBondContact O-N 2.87Å; N72-L75 VanDerWaalsContact O-N 3.1Å; N72-L75 PolarHBondContact OD1-N 2.95Å; N72-V76 WeakPolarHBondContact O-CG2 3.34Å; N72-V76 PolarHBondContact O-N 3.49Å; N72-E151 HydrophobicContact CB-CB 3.74Å; N72-E151 HydrophobicContact CB-CG 4.18Å; N72-E151 PolarHBondContact ND2-OE1 2.94Å; N72-E151 PolarHBondContact ND2-OE2 2.73Å; N72-I152 PolarHBondContact N-O 2.84Å
73	E	98.7	Very high	98.1	Very high	147 Å²	147	37.1 Å²	37.1	69%	0.687	20%	0.196	S	C	*	.	H	α-helix	trans	-62.3	-35.9	-175.2	-166.7	-178.5	170	0	0	113.1	L75 V76 N77	E73-L75 VanDerWaalsContact C-N 3.32Å; E73-L75 PolarHBondContact O-N 3.19Å; E73-V76 WeakPolarHBondContact O-CB 3.41Å; E73-V76 PolarHBondContact O-N 2.97Å; E73-N77 WeakPolarHBondContact O-CB 3.41Å; E73-N77 PolarHBondContact O-N 2.99Å; E73-N77 PolarHBondContact O-ND2 2.99Å
74	D	98.6	Very high	98.2	Very high	110 Å²	110	38.6 Å²	38.6	59%	0.588	20%	0.203	S	C	*	.	H	α-helix	trans	-64.8	-39.2	175.7	-65.5	-33.9	0	0	0	111	N72 Y78	N72-D74 VanDerWaalsContact C-N 3.33Å; N72-D74 PolarHBondContact O-N 2.89Å; N72-D74 WeakPolarHBondContact OD1-CA 3Å; N72-D74 WeakPolarHBondContact OD1-CB 3.07Å; N72-D74 PolarHBondContact OD1-N 3.37Å; D74-Y78 VanDerWaalsContact O-CB 3.26Å; D74-Y78 WeakPolarHBondContact O-CB 3.37Å; D74-Y78 PolarHBondContact O-N 2.75Å
75	L	98.8	Very high	98.1	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-68.1	-37.4	174.6	-62.9	-174.8	0	0	0	111.9	N72 E73 A79 Y96 E151 A168	N72-L75 HydrophobicContact CB-CB 4.24Å; N72-L75 HydrophobicContact CB-CD1 4.02Å; N72-L75 HydrophobicContact CB-CG 3.98Å; N72-L75 WeakPolarHBondContact O-CB 2.99Å; N72-L75 PolarHBondContact O-N 2.87Å; N72-L75 VanDerWaalsContact O-N 3.1Å; N72-L75 PolarHBondContact OD1-N 2.95Å; E73-L75 VanDerWaalsContact C-N 3.32Å; E73-L75 PolarHBondContact O-N 3.19Å; L75-A79 WeakPolarHBondContact O-CB 3.44Å; L75-A79 PolarHBondContact O-N 2.89Å; L75-Y96 HydrophobicContact CD2-CD1 3.33Å; L75-Y96 HydrophobicContact CD2-CD2 4.02Å; L75-Y96 HydrophobicContact CD2-CE1 3.39Å; L75-Y96 HydrophobicContact CD2-CE2 4.08Å; L75-Y96 HydrophobicContact CD2-CG 3.66Å; L75-E151 HydrophobicContact CD1-CB 3.97Å; L75-A168 HydrophobicContact CB-CB 4.11Å; L75-A168 HydrophobicContact CD2-CB 4.12Å
76	V	98.9	Very high	98.1	Very high	24 Å²	24	43 Å²	43	15%	0.145	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-52.9	175.2	168.6	0	0	0	0	110.1	Q45 V71 N72 E73 Y78 A79 Q80	Q45-V76 HydrophobicContact CG-CG2 4.18Å; V71-V76 HydrophobicContact CG1-CG2 3.66Å; N72-V76 WeakPolarHBondContact O-CG2 3.34Å; N72-V76 PolarHBondContact O-N 3.49Å; E73-V76 WeakPolarHBondContact O-CB 3.41Å; E73-V76 PolarHBondContact O-N 2.97Å; V76-Y78 PolarHBondContact O-N 2.74Å; V76-A79 PolarHBondContact O-N 3.43Å; V76-Q80 WeakPolarHBondContact O-CB 3.43Å; V76-Q80 PolarHBondContact O-N 3.19Å
77	N	98.6	Very high	97.9	Very high	78 Å²	78	47.1 Å²	47.1	42%	0.417	25%	0.253	S	S	.	.	H	α-helix	trans	-60.6	-45.9	179.8	-71.2	-33.2	0	0	0	111	E73 A79 Q80 D81	E73-N77 WeakPolarHBondContact O-CB 3.41Å; E73-N77 PolarHBondContact O-N 2.99Å; E73-N77 PolarHBondContact O-ND2 2.99Å; N77-A79 PolarHBondContact O-N 3.25Å; N77-Q80 PolarHBondContact O-N 3.37Å; N77-D81 PolarHBondContact O-N 2.87Å
78	Y	98.4	Very high	97.6	Very high	55 Å²	55	51.8 Å²	51.8	22%	0.216	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-46.1	177.1	-172	-90.9	0	0	0	112.5	D74 V76 Q80 D81 V82 C94 Y96 L98 A168	D74-Y78 VanDerWaalsContact O-CB 3.26Å; D74-Y78 WeakPolarHBondContact O-CB 3.37Å; D74-Y78 PolarHBondContact O-N 2.75Å; V76-Y78 PolarHBondContact O-N 2.74Å; Y78-Q80 VanDerWaalsContact C-N 3.29Å; Y78-Q80 PolarHBondContact O-N 2.86Å; Y78-D81 PolarHBondContact O-N 3.45Å; Y78-V82 HydrophobicContact CD1-CG2 4.08Å; Y78-V82 HydrophobicContact CE1-CG2 3.71Å; Y78-V82 WeakPolarHBondContact O-CG2 3.34Å; Y78-V82 PolarHBondContact O-N 2.05Å; Y78-C94 WeakPolarHBondContact OH-CB 3.45Å; Y78-C94 PolarHBondContact OH-SG 2.81Å; Y78-C94 VanDerWaalsContact OH-SG 3.35Å; Y78-Y96 AromaticContact CD1-CD2 3.62Å; Y78-Y96 HydrophobicContact CD1-CD2 3.62Å; Y78-Y96 HydrophobicContact CD1-CE2 4.13Å; Y78-Y96 HydrophobicContact CD2-CD2 4.17Å; Y78-Y96 AromaticContact CD2-CE2 3.92Å; Y78-Y96 HydrophobicContact CD2-CE2 3.92Å; Y78-Y96 AromaticContact CE1-CD2 3.84Å; Y78-Y96 HydrophobicContact CE1-CD2 3.84Å; Y78-Y96 HydrophobicContact CE2-CD2 4.36Å; Y78-Y96 HydrophobicContact CE2-CE2 4.34Å; Y78-Y96 AromaticContact CG-CD2 3.8Å; Y78-Y96 HydrophobicContact CG-CD2 3.8Å; Y78-Y96 AromaticContact CG-CE2 3.8Å; Y78-Y96 HydrophobicContact CG-CE2 3.8Å; Y78-L98 HydrophobicContact CD1-CD2 4.14Å; Y78-L98 HydrophobicContact CE1-CD1 4.19Å; Y78-L98 HydrophobicContact CE1-CD2 3.88Å; Y78-A168 HydrophobicContact CD1-CB 4.29Å
79	A	98.6	Very high	97.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64	-37.1	178.4	0	0	0	0	0	111.7	L75 V76 N77 V82 A83 G153 V166 A168	L75-A79 WeakPolarHBondContact O-CB 3.44Å; L75-A79 PolarHBondContact O-N 2.89Å; V76-A79 PolarHBondContact O-N 3.43Å; N77-A79 PolarHBondContact O-N 3.25Å; A79-V82 PolarHBondContact O-N 3.37Å; A79-A83 WeakPolarHBondContact O-CB 3.27Å; A79-A83 PolarHBondContact O-N 2.92Å; A79-G153 WeakPolarHBondContact CB-O 3.48Å; A79-V166 HydrophobicContact CB-CG1 4.42Å; A79-A168 HydrophobicContact CB-CB 4.01Å
80	Q	98.6	Very high	96.8	Very high	18 Å²	18	59 Å²	59	8%	0.084	31%	0.309	C	S	.	.	H	α-helix	trans	-65.6	-45.5	175.7	-173.7	54.1	52.2	0	0	111.9	S37 P39 V76 N77 Y78 V82 A83 D84 G155 R156 T157	S37-Q80 PolarHBondContact OG-NE2 2.86Å; S37-Q80 VanDerWaalsContact OG-NE2 3.11Å; P39-Q80 VanDerWaalsContact CA-OE1 3.25Å; P39-Q80 HydrophobicContact CB-CG 4.33Å; V76-Q80 WeakPolarHBondContact O-CB 3.43Å; V76-Q80 PolarHBondContact O-N 3.19Å; N77-Q80 PolarHBondContact O-N 3.37Å; Y78-Q80 VanDerWaalsContact C-N 3.29Å; Y78-Q80 PolarHBondContact O-N 2.86Å; Q80-V82 VanDerWaalsContact C-N 3.3Å; Q80-V82 PolarHBondContact O-N 3.33Å; Q80-A83 PolarHBondContact O-N 3.47Å; Q80-D84 VanDerWaalsContact NE2-CG 3.33Å; Q80-D84 PolarHBondContact NE2-OD2 2.81Å; Q80-D84 WeakPolarHBondContact O-CB 3.36Å; Q80-D84 PolarHBondContact O-N 2.96Å; Q80-G155 VanDerWaalsContact OE1-CA 3.26Å; Q80-R156 PolarHBondContact NE2-O 2.84Å; Q80-R156 PolarHBondContact OE1-O 3.44Å; Q80-T157 PolarHBondContact NE2-OG1 3.11Å; Q80-T157 VanDerWaalsContact NE2-OG1 3.12Å
81	D	97.6	Very high	96.4	Very high	111 Å²	111	57 Å²	57	59%	0.594	30%	0.301	S	S	*	.	H	α-helix	trans	-57.9	-43.6	175.1	-76.2	-20.7	0	0	0	111.5	N77 Y78 D84 T85	N77-D81 PolarHBondContact O-N 2.87Å; Y78-D81 PolarHBondContact O-N 3.45Å; D81-D84 PolarHBondContact O-N 2.64Å; D81-T85 WeakPolarHBondContact O-CG2 3.38Å; D81-T85 PolarHBondContact O-N 3.41Å
82	V	97.7	Very high	96	Very high	6 Å²	6	67.7 Å²	67.7	4%	0.036	34%	0.338	C	S	.	.	H	α-helix	trans	-66.4	-43.6	176.7	178.3	0	0	0	0	111.3	Y78 A79 Q80 D84 T85 P91 L98 F100 V166	Y78-V82 HydrophobicContact CD1-CG2 4.08Å; Y78-V82 HydrophobicContact CE1-CG2 3.71Å; Y78-V82 WeakPolarHBondContact O-CG2 3.34Å; Y78-V82 PolarHBondContact O-N 2.05Å; A79-V82 PolarHBondContact O-N 3.37Å; Q80-V82 VanDerWaalsContact C-N 3.3Å; Q80-V82 PolarHBondContact O-N 3.33Å; V82-D84 VanDerWaalsContact C-N 3.25Å; V82-D84 PolarHBondContact O-N 3.47Å; V82-T85 WeakPolarHBondContact O-CB 3.47Å; V82-T85 PolarHBondContact O-N 3.03Å; V82-T85 VanDerWaalsContact O-N 3.13Å; V82-T85 PolarHBondContact O-OG1 3.13Å; V82-P91 HydrophobicContact CG1-CG 4.41Å; V82-P91 HydrophobicContact CG2-CG 3.86Å; V82-L98 HydrophobicContact CG1-CD1 4.48Å; V82-F100 HydrophobicContact CG1-CE1 3.67Å; V82-F100 HydrophobicContact CG1-CZ 4.18Å; V82-V166 HydrophobicContact CB-CG1 4.24Å; V82-V166 HydrophobicContact CG1-CG1 4.03Å; V82-V166 HydrophobicContact CG1-CG2 4.21Å
83	A	97.7	Very high	95.6	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-60.1	-38.3	176.2	0	0	0	0	0	111.5	A79 Q80 T85 C86 F164 V166	A79-A83 WeakPolarHBondContact O-CB 3.27Å; A79-A83 PolarHBondContact O-N 2.92Å; Q80-A83 PolarHBondContact O-N 3.47Å; A83-T85 PolarHBondContact O-N 3.39Å; A83-C86 PolarHBondContact O-N 3.28Å; A83-F164 WeakPolarHBondContact O-CD1 3.45Å; A83-V166 HydrophobicContact CB-CB 4.26Å; A83-V166 HydrophobicContact CB-CG2 3.95Å
84	D	97.3	Very high	95.2	Very high	32 Å²	32	63.1 Å²	63.1	17%	0.171	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-9.2	178.3	-86.4	-37.2	0	0	0	114.6	K35 S37 Q80 D81 V82 C86 T157	K35-D84 HydrophobicContact CD-CB 4.34Å; K35-D84 WeakPolarHBondContact CD-O 3.43Å; K35-D84 IonicContact NZ-OD1 3.78Å; K35-D84 PolarHBondContact NZ-OD1 2.92Å; S37-D84 VanDerWaalsContact CB-OD1 3.31Å; S37-D84 WeakPolarHBondContact CB-OD1 3.44Å; S37-D84 PolarHBondContact OG-OD1 3.33Å; S37-D84 PolarHBondContact OG-OD2 3.16Å; Q80-D84 VanDerWaalsContact NE2-CG 3.33Å; Q80-D84 PolarHBondContact NE2-OD2 2.81Å; Q80-D84 WeakPolarHBondContact O-CB 3.36Å; Q80-D84 PolarHBondContact O-N 2.96Å; D81-D84 PolarHBondContact O-N 2.64Å; V82-D84 VanDerWaalsContact C-N 3.25Å; V82-D84 PolarHBondContact O-N 3.47Å; D84-C86 VanDerWaalsContact C-N 3.31Å; D84-T157 PolarHBondContact N-OG1 2.98Å; D84-T157 VanDerWaalsContact OD1-CG2 3.24Å; D84-T157 WeakPolarHBondContact OD1-CG2 3.41Å; D84-T157 PolarHBondContact OD1-OG1 3.26Å
85	T	96.2	Very high	95	Very high	70 Å²	70	61.7 Å²	61.7	43%	0.429	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-21.8	167.7	72.1	0	0	0	0	112.9	D81 V82 A83 I87	D81-T85 WeakPolarHBondContact O-CG2 3.38Å; D81-T85 PolarHBondContact O-N 3.41Å; V82-T85 WeakPolarHBondContact O-CB 3.47Å; V82-T85 PolarHBondContact O-N 3.03Å; V82-T85 VanDerWaalsContact O-N 3.13Å; V82-T85 PolarHBondContact O-OG1 3.13Å; A83-T85 PolarHBondContact O-N 3.39Å; T85-I87 WeakPolarHBondContact O-CG1 3.29Å; T85-I87 PolarHBondContact O-N 3.09Å; T85-I87 VanDerWaalsContact O-N 3.12Å; T85-I87 PolarHBondContact OG1-N 3.49Å; T85-I87 VanDerWaalsContact OG1-N 3.13Å
86	C	95.8	Very high	95	Very high	33 Å²	33	64.8 Å²	64.8	22%	0.223	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	19	-169.1	-66.9	0	0	0	0	114.9	A83 D84 R102 C159	A83-C86 PolarHBondContact O-N 3.28Å; D84-C86 VanDerWaalsContact C-N 3.31Å; C86-R102 PolarHBondContact O-NH2 2.79Å; C86-C159 WeakPolarHBondContact CA-SG 2.91Å; C86-C159 HydrophobicContact CB-CB 3.68Å; C86-C159 WeakPolarHBondContact CB-SG 3.48Å; C86-C159 VanDerWaalsContact SG-CA 3.59Å; C86-C159 WeakPolarHBondContact SG-CB 3.42Å; C86-C159 CovalentContact SG-SG 2.03Å; C86-C159 PolarHBondContact SG-SG 3.13Å
87	I	94.4	Very high	95	Very high	92 Å²	92	63.7 Å²	63.7	47%	0.472	34%	0.339	S	S	.	.			trans	-107	124.2	-179.2	-64.9	164.7	0	0	0	109.2	T85 M89 F164	T85-I87 WeakPolarHBondContact O-CG1 3.29Å; T85-I87 PolarHBondContact O-N 3.09Å; T85-I87 VanDerWaalsContact O-N 3.12Å; T85-I87 PolarHBondContact OG1-N 3.49Å; T85-I87 VanDerWaalsContact OG1-N 3.13Å; I87-M89 HydrophobicContact CG2-CB 3.68Å; I87-M89 HydrophobicContact CG2-CE 4.46Å; I87-M89 PolarHBondContact O-N 3.06Å; I87-F164 WeakPolarHBondContact O-CZ 3.37Å
88	H	92	Very high	94.9	Very high	105 Å²	105	60.8 Å²	60.8	49%	0.486	32%	0.324	S	S	.	.			trans	-84.3	68.3	174.9	-168.8	164.4	0	0	0	109.6	F100 R102 F164	H88-F100 WeakPolarHBondContact CD2-CB 3.47Å; H88-F100 AromaticContact CD2-CD2 3.92Å; H88-F100 AromaticContact CD2-CG 3.49Å; H88-F100 VanDerWaalsContact CD2-CG 3.49Å; H88-F100 WeakPolarHBondContact CD2-CG 3.33Å; H88-F100 WeakPolarHBondContact NE2-CB 3.32Å; H88-F100 AromaticContact NE2-CG 3.79Å; H88-R102 VanDerWaalsContact N-NH2 3.17Å; H88-F164 HydrophobicContact CB-CE2 4.35Å; H88-F164 HydrophobicContact CB-CZ 4.36Å
89	M	90.8	Very high	94.9	Very high	128 Å²	128	58.2 Å²	58.2	63%	0.631	31%	0.314	S	S	*	.	S	Bend	trans	-151.3	134.1	177.8	-172.1	176.1	64.1	0	0	109.4	I87 P91	I87-M89 HydrophobicContact CG2-CB 3.68Å; I87-M89 HydrophobicContact CG2-CE 4.46Å; I87-M89 PolarHBondContact O-N 3.06Å; M89-P91 WeakPolarHBondContact O-CD 3.4Å
90	T	89.3	Confident	94.9	Very high	77 Å²	77	59 Å²	59	47%	0.472	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-61.2	122.9	171.3	-59.1	0	0	0	0	109.9	C94 L98 F100	T90-C94 HydrophobicContact CG2-CB 3.75Å; T90-L98 HydrophobicContact CG2-CD1 4.13Å; T90-F100 WeakPolarHBondContact OG1-CE2 3.31Å
91	P	89.4	Confident	94.8	Very high	44 Å²	44	58.2 Å²	58.2	29%	0.286	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-56.6	143.7	174.3	-24.6	34	0	0	0	111.9	V82 M89 G93 C94	V82-P91 HydrophobicContact CG1-CG 4.41Å; V82-P91 HydrophobicContact CG2-CG 3.86Å; M89-P91 WeakPolarHBondContact O-CD 3.4Å; P91-G93 PolarHBondContact O-N 3.44Å; P91-C94 VanDerWaalsContact O-CB 3.27Å; P91-C94 WeakPolarHBondContact O-CB 3.06Å; P91-C94 PolarHBondContact O-N 3.12Å; P91-C94 VanDerWaalsContact O-N 3.13Å
92	R	88.8	Confident	94.7	Very high	253 Å²	253	56.9 Å²	56.9	96%	0.955	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	132.7	176	-75.1	-172.7	-76.8	-173.9	-4.9	110	C94	R92-C94 PolarHBondContact O-N 3.38Å
93	G	90.5	Very high	94.6	Very high	79 Å²	79	57 Å²	57	81%	0.814	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	9.8	179.7	0	0	0	0	0	115	P91	P91-G93 PolarHBondContact O-N 3.44Å
94	C	92.1	Very high	94.5	Very high	7 Å²	7	62.3 Å²	62.3	5%	0.047	33%	0.326	C	S	.	.			trans	-49.6	124.7	175.8	175.1	0	0	0	0	110.6	Y78 T90 P91 R92 Y96 L98 K172	Y78-C94 WeakPolarHBondContact OH-CB 3.45Å; Y78-C94 PolarHBondContact OH-SG 2.81Å; Y78-C94 VanDerWaalsContact OH-SG 3.35Å; T90-C94 HydrophobicContact CG2-CB 3.75Å; P91-C94 VanDerWaalsContact O-CB 3.27Å; P91-C94 WeakPolarHBondContact O-CB 3.06Å; P91-C94 PolarHBondContact O-N 3.12Å; P91-C94 VanDerWaalsContact O-N 3.13Å; R92-C94 PolarHBondContact O-N 3.38Å; C94-Y96 PolarHBondContact SG-N 3.02Å; C94-Y96 VanDerWaalsContact SG-N 3.44Å; C94-Y96 PolarHBondContact SG-O 2.88Å; C94-L98 HydrophobicContact CB-CD1 4.47Å; C94-K172 VanDerWaalsContact O-CE 3.26Å; C94-K172 WeakPolarHBondContact O-CE 3.3Å; C94-K172 PolarHBondContact O-NZ 2.79Å
95	P	94.2	Very high	94.3	Very high	79 Å²	79	62.4 Å²	62.4	51%	0.513	33%	0.334	S	S	.	.			trans	-83.5	-14.6	-179.6	32.7	-34	0	0	0	113.1	K172	P95-K172 WeakPolarHBondContact O-CE 3.1Å
96	Y	98	Very high	94.1	Very high	69 Å²	69	63.6 Å²	63.6	27%	0.271	34%	0.341	S	S	.	.	S	Bend	trans	-102.9	160.5	-173	-52	-60.3	0	0	0	113.2	L75 Y78 C94 Y169 K172	L75-Y96 HydrophobicContact CD2-CD1 3.33Å; L75-Y96 HydrophobicContact CD2-CD2 4.02Å; L75-Y96 HydrophobicContact CD2-CE1 3.39Å; L75-Y96 HydrophobicContact CD2-CE2 4.08Å; L75-Y96 HydrophobicContact CD2-CG 3.66Å; Y78-Y96 AromaticContact CD1-CD2 3.62Å; Y78-Y96 HydrophobicContact CD1-CD2 3.62Å; Y78-Y96 HydrophobicContact CD1-CE2 4.13Å; Y78-Y96 HydrophobicContact CD2-CD2 4.17Å; Y78-Y96 AromaticContact CD2-CE2 3.92Å; Y78-Y96 HydrophobicContact CD2-CE2 3.92Å; Y78-Y96 AromaticContact CE1-CD2 3.84Å; Y78-Y96 HydrophobicContact CE1-CD2 3.84Å; Y78-Y96 HydrophobicContact CE2-CD2 4.36Å; Y78-Y96 HydrophobicContact CE2-CE2 4.34Å; Y78-Y96 AromaticContact CG-CD2 3.8Å; Y78-Y96 HydrophobicContact CG-CD2 3.8Å; Y78-Y96 AromaticContact CG-CE2 3.8Å; Y78-Y96 HydrophobicContact CG-CE2 3.8Å; C94-Y96 PolarHBondContact SG-N 3.02Å; C94-Y96 VanDerWaalsContact SG-N 3.44Å; C94-Y96 PolarHBondContact SG-O 2.88Å; Y96-Y169 WeakPolarHBondContact CB-O 3.27Å; Y96-K172 WeakPolarHBondContact O-CE 3.38Å; Y96-K172 WeakPolarHBondContact O-CG 3.29Å
97	G	98.1	Very high	93.9	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	136.6	160.2	0	0	0	0	0	109.1	A168 Y169	G97-A168 CarbonylContact O-C 3.58Å; G97-A168 VanDerWaalsContact O-CA 3.29Å; G97-A168 WeakPolarHBondContact O-CA 3.1Å; G97-Y169 PolarHBondContact N-O 3.21Å; G97-Y169 PolarHBondContact O-N 2.95Å
98	L	98.2	Very high	93.8	Very high	17 Å²	17	67.1 Å²	67.1	9%	0.089	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.6	176.5	-64.5	-178.2	0	0	0	110.4	Y78 V82 T90 C94 F100 V166 C167 A168	Y78-L98 HydrophobicContact CD1-CD2 4.14Å; Y78-L98 HydrophobicContact CE1-CD1 4.19Å; Y78-L98 HydrophobicContact CE1-CD2 3.88Å; V82-L98 HydrophobicContact CG1-CD1 4.48Å; T90-L98 HydrophobicContact CG2-CD1 4.13Å; C94-L98 HydrophobicContact CB-CD1 4.47Å; L98-F100 HydrophobicContact CB-CD2 4.39Å; L98-F100 HydrophobicContact CB-CE2 3.63Å; L98-F100 HydrophobicContact CB-CZ 3.94Å; L98-F100 HydrophobicContact CD1-CE2 4.23Å; L98-F100 HydrophobicContact CD1-CZ 3.76Å; L98-V166 HydrophobicContact CD2-CG1 4.26Å; L98-C167 WeakPolarHBondContact CA-O 3.35Å; L98-A168 HydrophobicContact CD2-CB 3.78Å
99	G	97.8	Very high	93.8	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.4	170.1	0	0	0	0	0	109.7	Y113 V166 C167	G99-Y113 VanDerWaalsContact CA-OH 3.25Å; G99-Y113 WeakPolarHBondContact CA-OH 3.14Å; G99-Y113 PolarHBondContact O-OH 2.94Å; G99-V166 CarbonylContact O-C 3.56Å; G99-V166 WeakPolarHBondContact O-CA 3.41Å; G99-C167 PolarHBondContact N-O 2.92Å; G99-C167 PolarHBondContact O-N 3.19Å
100	F	97.6	Very high	93.9	Very high	18 Å²	18	59.1 Å²	59.1	8%	0.079	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.9	-176.2	-63.6	-89.4	0	0	0	110.7	V82 H88 T90 L98 F164 V166	V82-F100 HydrophobicContact CG1-CE1 3.67Å; V82-F100 HydrophobicContact CG1-CZ 4.18Å; H88-F100 WeakPolarHBondContact CD2-CB 3.47Å; H88-F100 AromaticContact CD2-CD2 3.92Å; H88-F100 AromaticContact CD2-CG 3.49Å; H88-F100 VanDerWaalsContact CD2-CG 3.49Å; H88-F100 WeakPolarHBondContact CD2-CG 3.33Å; H88-F100 WeakPolarHBondContact NE2-CB 3.32Å; H88-F100 AromaticContact NE2-CG 3.79Å; T90-F100 WeakPolarHBondContact OG1-CE2 3.31Å; L98-F100 HydrophobicContact CB-CD2 4.39Å; L98-F100 HydrophobicContact CB-CE2 3.63Å; L98-F100 HydrophobicContact CB-CZ 3.94Å; L98-F100 HydrophobicContact CD1-CE2 4.23Å; L98-F100 HydrophobicContact CD1-CZ 3.76Å; F100-F164 HydrophobicContact CB-CE2 4.3Å; F100-F164 AromaticContact CD1-CE2 3.98Å; F100-F164 HydrophobicContact CD1-CE2 3.98Å; F100-F164 AromaticContact CD1-CZ 3.63Å; F100-F164 HydrophobicContact CD1-CZ 3.63Å; F100-F164 HydrophobicContact CE1-CZ 4.26Å; F100-V166 HydrophobicContact CD1-CG1 4.32Å; F100-V166 HydrophobicContact CD1-CG2 3.72Å; F100-V166 HydrophobicContact CE1-CG1 4.21Å; F100-V166 HydrophobicContact CE1-CG2 4.04Å
101	F	97.6	Very high	94.2	Very high	1 Å²	1	59.2 Å²	59.2	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	138.2	-178.8	-177.1	-103.3	0	0	0	111.4	I103 D112 Y113 R116 Y137 L140 F164 I165	F101-I103 HydrophobicContact CE1-CB 3.76Å; F101-I103 HydrophobicContact CE1-CD1 4.28Å; F101-I103 HydrophobicContact CE1-CG2 4.06Å; F101-I103 HydrophobicContact CZ-CB 4.24Å; F101-I103 HydrophobicContact CZ-CD1 4.41Å; F101-D112 HydrophobicContact CE1-CB 3.75Å; F101-D112 HydrophobicContact CZ-CB 3.8Å; F101-Y113 HydrophobicContact CB-CD2 3.32Å; F101-Y113 HydrophobicContact CB-CE2 3.63Å; F101-Y113 HydrophobicContact CB-CG 4.33Å; F101-Y113 HydrophobicContact CD1-CD2 4.27Å; F101-Y113 AromaticContact CG-CD2 3.93Å; F101-Y113 HydrophobicContact CG-CD2 3.93Å; F101-R116 HydrophobicContact CE2-CB 4.07Å; F101-R116 HydrophobicContact CE2-CG 4.29Å; F101-R116 HydrophobicContact CZ-CG 4.3Å; F101-Y137 HydrophobicContact CD2-CD1 4.28Å; F101-Y137 AromaticContact CD2-CE1 3.8Å; F101-Y137 HydrophobicContact CD2-CE1 3.8Å; F101-Y137 HydrophobicContact CE2-CD1 4.33Å; F101-Y137 AromaticContact CE2-CE1 3.57Å; F101-Y137 HydrophobicContact CE2-CE1 3.57Å; F101-L140 HydrophobicContact CB-CD2 4.09Å; F101-L140 HydrophobicContact CD2-CD2 3.71Å; F101-L140 HydrophobicContact CG-CD2 4.34Å; F101-F164 WeakPolarHBondContact O-CD2 3.25Å; F101-I165 HydrophobicContact CB-CB 4.4Å; F101-I165 HydrophobicContact CD1-CD1 4.32Å; F101-I165 PolarHBondContact N-O 3.42Å; F101-I165 PolarHBondContact O-N 3.46Å
102	R	95.7	Very high	94.5	Very high	83 Å²	83	59 Å²	59	31%	0.313	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.3	177.2	-71.2	-179.1	-178.5	-158.1	-3.9	110.4	C86 H88 T163 F164	C86-R102 PolarHBondContact O-NH2 2.79Å; H88-R102 VanDerWaalsContact N-NH2 3.17Å; R102-T163 WeakPolarHBondContact CA-O 3.19Å; R102-F164 HydrophobicContact CG-CD2 3.44Å; R102-F164 VanDerWaalsContact CG-CD2 3.44Å; R102-F164 HydrophobicContact CG-CE2 3.99Å; R102-F164 HydrophobicContact CG-CG 4.34Å
103	I	95.3	Very high	95	Very high	7 Å²	7	47 Å²	47	4%	0.036	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	144.3	176.6	-168.1	167.6	0	0	0	110.7	F101 R107 D112 Q162 T163	F101-I103 HydrophobicContact CE1-CB 3.76Å; F101-I103 HydrophobicContact CE1-CD1 4.28Å; F101-I103 HydrophobicContact CE1-CG2 4.06Å; F101-I103 HydrophobicContact CZ-CB 4.24Å; F101-I103 HydrophobicContact CZ-CD1 4.41Å; I103-R107 VanDerWaalsContact CD1-CD 3.48Å; I103-R107 HydrophobicContact CG2-CB 4.32Å; I103-D112 HydrophobicContact CD1-CB 3.84Å; I103-D112 VanDerWaalsContact CD1-OD1 3.32Å; I103-D112 WeakPolarHBondContact CD1-OD1 3.48Å; I103-D112 VanDerWaalsContact CD1-OD2 3.31Å; I103-D112 WeakPolarHBondContact CD1-OD2 3.35Å; I103-Q162 CarbonylContact O-C 3.56Å; I103-Q162 VanDerWaalsContact O-CA 3.23Å; I103-Q162 WeakPolarHBondContact O-CA 3.44Å; I103-Q162 WeakPolarHBondContact O-CB 3.36Å; I103-T163 HydrophobicContact CG2-CG2 4.47Å; I103-T163 PolarHBondContact N-O 2.64Å; I103-T163 PolarHBondContact O-N 3.15Å
104	Q	94.9	Very high	95.3	Very high	113 Å²	113	43.2 Å²	43.2	53%	0.528	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	143.1	177.7	-66.2	-65.2	-11.1	0	0	111.6	R107 T161	Q104-R107 PolarHBondContact O-NE 3.29Å; Q104-T161 PolarHBondContact OE1-OG1 3.44Å
105	G	94.2	Very high	95.5	Very high	33 Å²	33	46.3 Å²	46.3	34%	0.34	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	82	171.9	-179.2	0	0	0	0	0	113.6	T161 T163	G105-T161 VanDerWaalsContact CA-O 3.32Å; G105-T161 WeakPolarHBondContact CA-O 3.41Å; G105-T161 PolarHBondContact N-O 3.09Å; G105-T163 PolarHBondContact O-N 2.77Å; G105-T163 VanDerWaalsContact O-N 3.12Å; G105-T163 PolarHBondContact O-OG1 3.36Å
106	V	91.4	Very high	95.6	Very high	95 Å²	95	46.2 Å²	46.2	58%	0.576	22%	0.224	S	C	*	.	S	Bend	trans	-81.3	114.1	169.3	-177	0	0	0	0	107.7	T158 T163	V106-T158 HydrophobicContact CG2-CG2 4.08Å; V106-T163 WeakPolarHBondContact CA-OG1 3.45Å
107	R	91.9	Very high	95.5	Very high	124 Å²	124	42.9 Å²	42.9	47%	0.468	21%	0.212	S	C	.	.			trans	-136.3	156.8	-175.2	-68.3	-171.5	166.9	-149	-5	110.5	I103 Q104 D112 T163	I103-R107 VanDerWaalsContact CD1-CD 3.48Å; I103-R107 HydrophobicContact CG2-CB 4.32Å; Q104-R107 PolarHBondContact O-NE 3.29Å; R107-D112 IonicContact NH1-OD2 3.09Å; R107-T163 PolarHBondContact N-OG1 3.17Å; R107-T163 WeakPolarHBondContact O-CG2 3.4Å
108	T	91.7	Very high	95.4	Very high	75 Å²	75	44 Å²	44	46%	0.46	22%	0.216	S	C	.	.			trans	-67.1	-48.4	168.3	52.5	0	0	0	0	110.5	F40 Y110 R156	F40-T108 WeakPolarHBondContact CE1-O 3.36Å; T108-Y110 VanDerWaalsContact C-N 3.28Å; T108-Y110 VanDerWaalsContact CB-CE1 3.49Å; T108-Y110 HydrophobicContact CG2-CE1 4.12Å; T108-Y110 PolarHBondContact O-N 3.43Å; T108-Y110 WeakPolarHBondContact OG1-CE1 3.03Å; T108-R156 VanDerWaalsContact CA-NH1 3.32Å; T108-R156 WeakPolarHBondContact O-CD 3.37Å; T108-R156 PolarHBondContact O-NH1 3.28Å
109	G	92.9	Very high	95.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.236	C	C	.	.			trans	73.2	1.2	165.7	0	0	0	0	0	116.8	L111 D112 Y113 I165	G109-L111 PolarHBondContact O-N 3.44Å; G109-D112 PolarHBondContact O-N 2.95Å; G109-Y113 WeakPolarHBondContact O-CB 3.33Å; G109-Y113 PolarHBondContact O-N 3.19Å; G109-I165 WeakPolarHBondContact O-CD1 3.02Å
110	Y	92.7	Very high	95.2	Very high	65 Å²	65	49 Å²	49	26%	0.255	24%	0.238	S	C	.	.	H	α-helix	trans	-61.4	-43.4	179.2	52.1	-100.8	0	0	0	112.8	V47 M48 T108	V47-Y110 HydrophobicContact CG1-CD2 3.56Å; V47-Y110 HydrophobicContact CG1-CE2 3.79Å; V47-Y110 HydrophobicContact CG1-CG 4.08Å; M48-Y110 WeakPolarHBondContact SD-CA 3.16Å; M48-Y110 WeakPolarHBondContact SD-CB 3.31Å; T108-Y110 VanDerWaalsContact C-N 3.28Å; T108-Y110 VanDerWaalsContact CB-CE1 3.49Å; T108-Y110 HydrophobicContact CG2-CE1 4.12Å; T108-Y110 PolarHBondContact O-N 3.43Å; T108-Y110 WeakPolarHBondContact OG1-CE1 3.03Å
111	L	94.5	Very high	95	Very high	79 Å²	79	48.4 Å²	48.4	41%	0.414	24%	0.238	S	C	.	.	H	α-helix	trans	-67.4	-46.9	175	-78.2	173.5	0	0	0	112.2	H51 G109 Y113 V114 M115	H51-L111 WeakPolarHBondContact CE1-CD2 3.33Å; H51-L111 VanDerWaalsContact NE2-CD2 3.31Å; H51-L111 WeakPolarHBondContact NE2-CD2 3.49Å; G109-L111 PolarHBondContact O-N 3.44Å; L111-Y113 PolarHBondContact O-N 2.93Å; L111-V114 PolarHBondContact O-N 2.91Å; L111-M115 WeakPolarHBondContact O-CB 3.28Å; L111-M115 WeakPolarHBondContact O-CG 3.39Å; L111-M115 PolarHBondContact O-N 3.23Å
112	D	97	Very high	94.8	Very high	40 Å²	40	52.4 Å²	52.4	21%	0.214	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-40	179.7	-80.1	-78	0	0	0	111.4	F101 I103 R107 G109 V114 R116	F101-D112 HydrophobicContact CE1-CB 3.75Å; F101-D112 HydrophobicContact CZ-CB 3.8Å; I103-D112 HydrophobicContact CD1-CB 3.84Å; I103-D112 VanDerWaalsContact CD1-OD1 3.32Å; I103-D112 WeakPolarHBondContact CD1-OD1 3.48Å; I103-D112 VanDerWaalsContact CD1-OD2 3.31Å; I103-D112 WeakPolarHBondContact CD1-OD2 3.35Å; R107-D112 IonicContact NH1-OD2 3.09Å; G109-D112 PolarHBondContact O-N 2.95Å; D112-V114 VanDerWaalsContact C-N 3.29Å; D112-V114 PolarHBondContact O-N 2.92Å; D112-R116 WeakPolarHBondContact O-CB 3.3Å; D112-R116 WeakPolarHBondContact O-CG 3.47Å; D112-R116 PolarHBondContact O-N 3.39Å; D112-R116 IonicContact OD1-CZ 3.41Å; D112-R116 IonicContact OD1-NE 3.65Å; D112-R116 PolarHBondContact OD1-NE 3.44Å; D112-R116 VanDerWaalsContact OD1-NE 3.13Å; D112-R116 IonicContact OD1-NH2 2.79Å; D112-R116 PolarHBondContact OD1-NH2 3.45Å; D112-R116 VanDerWaalsContact OD1-NH2 3.09Å
113	Y	98.2	Very high	94.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-39.9	-179.2	-176.7	-83.8	0	0	0	112.6	M48 H52 G99 F101 G109 L111 P117 L140 V144 I165 C167 Y169	M48-Y113 HydrophobicContact CE-CD1 3.75Å; M48-Y113 HydrophobicContact CE-CD2 4.39Å; M48-Y113 HydrophobicContact CE-CE1 4.33Å; M48-Y113 HydrophobicContact CE-CG 3.8Å; H52-Y113 AromaticContact CE1-CD1 3.81Å; H52-Y113 AromaticContact CE1-CE1 3.82Å; H52-Y113 AromaticContact NE2-CD1 3.88Å; H52-Y113 AromaticContact NE2-CE1 3.52Å; G99-Y113 VanDerWaalsContact CA-OH 3.25Å; G99-Y113 WeakPolarHBondContact CA-OH 3.14Å; G99-Y113 PolarHBondContact O-OH 2.94Å; F101-Y113 HydrophobicContact CB-CD2 3.32Å; F101-Y113 HydrophobicContact CB-CE2 3.63Å; F101-Y113 HydrophobicContact CB-CG 4.33Å; F101-Y113 HydrophobicContact CD1-CD2 4.27Å; F101-Y113 AromaticContact CG-CD2 3.93Å; F101-Y113 HydrophobicContact CG-CD2 3.93Å; G109-Y113 WeakPolarHBondContact O-CB 3.33Å; G109-Y113 PolarHBondContact O-N 3.19Å; L111-Y113 PolarHBondContact O-N 2.93Å; Y113-P117 WeakPolarHBondContact O-CD 3.48Å; Y113-P117 WeakPolarHBondContact O-CG 3.27Å; Y113-L140 HydrophobicContact CE1-CD1 4.07Å; Y113-L140 HydrophobicContact CE2-CD1 4.04Å; Y113-L140 WeakPolarHBondContact OH-CD1 3.29Å; Y113-V144 HydrophobicContact CE1-CG2 3.94Å; Y113-I165 HydrophobicContact CD2-CB 3.83Å; Y113-I165 HydrophobicContact CD2-CG2 3.29Å; Y113-I165 HydrophobicContact CE2-CB 4.31Å; Y113-I165 HydrophobicContact CE2-CG2 3.68Å; Y113-I165 HydrophobicContact CG-CG2 4.11Å; Y113-C167 HydrophobicContact CE1-CB 4.19Å; Y113-C167 VanDerWaalsContact CZ-SG 3.51Å; Y113-C167 VanDerWaalsContact OH-CB 3.31Å; Y113-C167 WeakPolarHBondContact OH-CB 3.22Å; Y113-C167 PolarHBondContact OH-N 2.85Å; Y113-Y169 VanDerWaalsContact CE1-OH 3.32Å; Y113-Y169 WeakPolarHBondContact CE1-OH 3.5Å; Y113-Y169 PolarHBondContact OH-OH 3.44Å; Y113-Y169 VanDerWaalsContact OH-OH 3.11Å
114	V	97.4	Very high	94.8	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-91.4	-43.5	-176.4	-177.8	0	0	0	0	111.4	H51 H52 A55 L111 D112 P117 F118	H51-V114 HydrophobicContact CB-CG2 4.27Å; H52-V114 VanDerWaalsContact CE1-CG2 3.47Å; H52-V114 WeakPolarHBondContact CE1-CG2 3.48Å; H52-V114 WeakPolarHBondContact ND1-CG2 3.27Å; A55-V114 HydrophobicContact CB-CG1 3.3Å; L111-V114 PolarHBondContact O-N 2.91Å; D112-V114 VanDerWaalsContact C-N 3.29Å; D112-V114 PolarHBondContact O-N 2.92Å; V114-P117 WeakPolarHBondContact O-CD 3.47Å; V114-P117 WeakPolarHBondContact O-CG 3.45Å; V114-F118 WeakPolarHBondContact O-CB 3.45Å; V114-F118 PolarHBondContact O-N 3.35Å; V114-F118 VanDerWaalsContact O-N 3.16Å
115	M	96.4	Very high	94.9	Very high	71 Å²	71	51.8 Å²	51.8	35%	0.35	26%	0.262	S	S	.	.	H	α-helix	trans	-75	-33.3	-171	-65.7	-53.4	-57.7	0	0	113	L111 F118 E119	L111-M115 WeakPolarHBondContact O-CB 3.28Å; L111-M115 WeakPolarHBondContact O-CG 3.39Å; L111-M115 PolarHBondContact O-N 3.23Å; M115-F118 HydrophobicContact CE-CD1 3.93Å; M115-F118 HydrophobicContact CE-CE1 4.48Å; M115-F118 WeakPolarHBondContact O-CB 3.47Å; M115-F118 PolarHBondContact O-N 3.49Å; M115-E119 WeakPolarHBondContact O-CG 3.33Å; M115-E119 PolarHBondContact O-N 2.78Å
116	R	96.2	Very high	94.9	Very high	77 Å²	77	53.2 Å²	53.2	29%	0.291	26%	0.261	S	S	.	.	H	α-helix	trans	-65.3	-50.7	176.8	-66.9	-162.2	-163.2	-168.3	-10	113.6	F101 D112 F118 E119 F120	F101-R116 HydrophobicContact CE2-CB 4.07Å; F101-R116 HydrophobicContact CE2-CG 4.29Å; F101-R116 HydrophobicContact CZ-CG 4.3Å; D112-R116 WeakPolarHBondContact O-CB 3.3Å; D112-R116 WeakPolarHBondContact O-CG 3.47Å; D112-R116 PolarHBondContact O-N 3.39Å; D112-R116 IonicContact OD1-CZ 3.41Å; D112-R116 IonicContact OD1-NE 3.65Å; D112-R116 PolarHBondContact OD1-NE 3.44Å; D112-R116 VanDerWaalsContact OD1-NE 3.13Å; D112-R116 IonicContact OD1-NH2 2.79Å; D112-R116 PolarHBondContact OD1-NH2 3.45Å; D112-R116 VanDerWaalsContact OD1-NH2 3.09Å; R116-F118 PolarHBondContact O-N 3.07Å; R116-E119 PolarHBondContact O-N 3.3Å; R116-F120 WeakPolarHBondContact O-CB 3.37Å; R116-F120 PolarHBondContact O-N 3.46Å
117	P	95.5	Very high	95.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-28.9	173.7	25.3	-33.8	0	0	0	112.3	Y113 V114 G121 L140 F141 V144	Y113-P117 WeakPolarHBondContact O-CD 3.48Å; Y113-P117 WeakPolarHBondContact O-CG 3.27Å; V114-P117 WeakPolarHBondContact O-CD 3.47Å; V114-P117 WeakPolarHBondContact O-CG 3.45Å; P117-G121 PolarHBondContact O-N 3.04Å; P117-L140 HydrophobicContact CB-CB 4.45Å; P117-L140 HydrophobicContact CB-CD2 4.04Å; P117-L140 HydrophobicContact CB-CG 3.92Å; P117-L140 HydrophobicContact CG-CD2 3.76Å; P117-L140 HydrophobicContact CG-CG 3.88Å; P117-F141 HydrophobicContact CB-CB 4.13Å; P117-F141 VanDerWaalsContact O-CD2 3.29Å; P117-F141 WeakPolarHBondContact O-CD2 2.92Å; P117-V144 HydrophobicContact CG-CG2 4.37Å
118	F	97.3	Very high	95.1	Very high	25 Å²	25	53 Å²	53	11%	0.11	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-58	172.4	-179.4	-100.8	0	0	0	111.6	A55 N58 M59 V114 M115 R116 F120 G121 L122 F145	A55-F118 HydrophobicContact CB-CD2 4.22Å; A55-F118 WeakPolarHBondContact O-CE2 3.41Å; N58-F118 HydrophobicContact CB-CE2 4.37Å; N58-F118 HydrophobicContact CB-CZ 4.25Å; M59-F118 HydrophobicContact CE-CD2 3.44Å; M59-F118 VanDerWaalsContact CE-CD2 3.44Å; M59-F118 HydrophobicContact CE-CE2 3.7Å; M59-F118 HydrophobicContact CE-CG 4.46Å; M59-F118 HydrophobicContact SD-CE2 4.26Å; V114-F118 WeakPolarHBondContact O-CB 3.45Å; V114-F118 PolarHBondContact O-N 3.35Å; V114-F118 VanDerWaalsContact O-N 3.16Å; M115-F118 HydrophobicContact CE-CD1 3.93Å; M115-F118 HydrophobicContact CE-CE1 4.48Å; M115-F118 WeakPolarHBondContact O-CB 3.47Å; M115-F118 PolarHBondContact O-N 3.49Å; R116-F118 PolarHBondContact O-N 3.07Å; F118-F120 VanDerWaalsContact C-N 3.3Å; F118-F120 PolarHBondContact O-N 3.31Å; F118-G121 PolarHBondContact O-N 2.96Å; F118-G121 VanDerWaalsContact O-N 3.12Å; F118-L122 HydrophobicContact CD1-CD1 4.09Å; F118-L122 HydrophobicContact CE1-CD1 3.58Å; F118-L122 HydrophobicContact CE1-CG 4.47Å; F118-L122 HydrophobicContact CZ-CD1 3.94Å; F118-L122 WeakPolarHBondContact O-CG 3.32Å; F118-L122 PolarHBondContact O-N 3.19Å; F118-L122 VanDerWaalsContact O-N 3.09Å; F118-F145 HydrophobicContact CB-CE2 4.2Å; F118-F145 HydrophobicContact CB-CZ 3.76Å; F118-F145 AromaticContact CD2-CE1 3.82Å; F118-F145 HydrophobicContact CD2-CE1 3.82Å; F118-F145 HydrophobicContact CD2-CE2 4.5Å; F118-F145 AromaticContact CD2-CZ 3.57Å; F118-F145 HydrophobicContact CD2-CZ 3.57Å; F118-F145 HydrophobicContact CG-CZ 4.16Å
119	E	96.5	Very high	95.3	Very high	109 Å²	109	51.2 Å²	51.2	51%	0.509	26%	0.259	S	S	.	.	H	α-helix	trans	-59.2	-42.3	177.4	-71	174.5	-174	0	0	111.6	M115 R116 G121 L122 L123	M115-E119 WeakPolarHBondContact O-CG 3.33Å; M115-E119 PolarHBondContact O-N 2.78Å; R116-E119 PolarHBondContact O-N 3.3Å; E119-G121 VanDerWaalsContact C-N 3.33Å; E119-G121 PolarHBondContact O-N 2.88Å; E119-L122 PolarHBondContact O-N 3.28Å; E119-L123 WeakPolarHBondContact O-CB 3.46Å; E119-L123 WeakPolarHBondContact O-CG 3.49Å; E119-L123 PolarHBondContact O-N 3.47Å
120	F	93.8	Very high	95.4	Very high	12 Å²	12	52.7 Å²	52.7	5%	0.053	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-43.3	175.2	-176.7	-86.2	0	0	0	112	R116 F118 L122 L123 H124 C132 R134 E136 Y137 C138	R116-F120 WeakPolarHBondContact O-CB 3.37Å; R116-F120 PolarHBondContact O-N 3.46Å; F118-F120 VanDerWaalsContact C-N 3.3Å; F118-F120 PolarHBondContact O-N 3.31Å; F120-L122 VanDerWaalsContact C-N 3.35Å; F120-L122 PolarHBondContact O-N 3.1Å; F120-L123 PolarHBondContact O-N 2.82Å; F120-H124 HydrophobicContact CD1-CB 4.21Å; F120-H124 HydrophobicContact CD2-CB 4.26Å; F120-H124 AromaticContact CD2-CD2 3.48Å; F120-H124 VanDerWaalsContact CD2-CD2 3.48Å; F120-H124 WeakPolarHBondContact CD2-CD2 3.47Å; F120-H124 HydrophobicContact CE1-CB 4.03Å; F120-H124 HydrophobicContact CE2-CB 4.11Å; F120-H124 AromaticContact CE2-CD2 3.72Å; F120-H124 HydrophobicContact CG-CB 4.33Å; F120-H124 HydrophobicContact CZ-CB 3.99Å; F120-H124 WeakPolarHBondContact O-CA 3.26Å; F120-H124 VanDerWaalsContact O-CB 3.28Å; F120-H124 WeakPolarHBondContact O-CB 3.37Å; F120-H124 PolarHBondContact O-N 3.27Å; F120-C132 HydrophobicContact CE1-CB 4Å; F120-C132 HydrophobicContact CZ-CB 4.32Å; F120-R134 HydrophobicContact CE2-CB 3.76Å; F120-R134 HydrophobicContact CZ-CB 3.76Å; F120-R134 VanDerWaalsContact CZ-O 3.3Å; F120-R134 WeakPolarHBondContact CZ-O 3.37Å; F120-E136 HydrophobicContact CE2-CB 4.37Å; F120-Y137 HydrophobicContact CB-CD2 4.17Å; F120-Y137 AromaticContact CD2-CD2 3.61Å; F120-Y137 HydrophobicContact CD2-CD2 3.61Å; F120-Y137 HydrophobicContact CD2-CG 4.29Å; F120-Y137 HydrophobicContact CE2-CD2 4.18Å; F120-Y137 HydrophobicContact CG-CD2 4.04Å; F120-Y137 HydrophobicContact CG-CG 4.4Å; F120-C138 HydrophobicContact CE1-CB 4.28Å
121	G	94.1	Very high	95.5	Very high	6 Å²	6	53.3 Å²	53.3	6%	0.062	27%	0.272	C	S	.	.	H	α-helix	trans	-57.2	-48.4	175.7	0	0	0	0	0	111.8	P117 F118 E119 L123 Y125 F141	P117-G121 PolarHBondContact O-N 3.04Å; F118-G121 PolarHBondContact O-N 2.96Å; F118-G121 VanDerWaalsContact O-N 3.12Å; E119-G121 VanDerWaalsContact C-N 3.33Å; E119-G121 PolarHBondContact O-N 2.88Å; G121-L123 VanDerWaalsContact C-N 3.3Å; G121-L123 PolarHBondContact O-N 3.45Å; G121-Y125 VanDerWaalsContact O-CB 3.24Å; G121-Y125 WeakPolarHBondContact O-CB 3.2Å; G121-Y125 PolarHBondContact O-N 2.94Å; G121-F141 VanDerWaalsContact CA-CD2 3.44Å; G121-F141 VanDerWaalsContact CA-CE2 3.4Å
122	L	93.8	Very high	95.6	Very high	86 Å²	86	50.6 Å²	50.6	45%	0.45	26%	0.26	S	S	.	.	H	α-helix	trans	-61.8	-36.3	178.8	-64.3	178.2	0	0	0	113.1	M59 F118 E119 F120	M59-L122 HydrophobicContact SD-CD2 4.02Å; F118-L122 HydrophobicContact CD1-CD1 4.09Å; F118-L122 HydrophobicContact CE1-CD1 3.58Å; F118-L122 HydrophobicContact CE1-CG 4.47Å; F118-L122 HydrophobicContact CZ-CD1 3.94Å; F118-L122 WeakPolarHBondContact O-CG 3.32Å; F118-L122 PolarHBondContact O-N 3.19Å; F118-L122 VanDerWaalsContact O-N 3.09Å; E119-L122 PolarHBondContact O-N 3.28Å; F120-L122 VanDerWaalsContact C-N 3.35Å; F120-L122 PolarHBondContact O-N 3.1Å
123	L	95.1	Very high	95.4	Very high	127 Å²	127	54 Å²	54	67%	0.665	28%	0.278	S	S	*	.	H	α-helix	trans	-97.1	-25.4	-172.1	-64.7	175.5	0	0	0	114.4	E119 F120 G121	E119-L123 WeakPolarHBondContact O-CB 3.46Å; E119-L123 WeakPolarHBondContact O-CG 3.49Å; E119-L123 PolarHBondContact O-N 3.47Å; F120-L123 PolarHBondContact O-N 2.82Å; G121-L123 VanDerWaalsContact C-N 3.3Å; G121-L123 PolarHBondContact O-N 3.45Å
124	H	95.5	Very high	95.1	Very high	40 Å²	40	61.1 Å²	61.1	19%	0.185	31%	0.305	C	S	.	.	H	α-helix	trans	-131.8	-9.5	-165.2	-60	-42.9	0	0	0	114.4	F120 C132 N133	F120-H124 HydrophobicContact CD1-CB 4.21Å; F120-H124 HydrophobicContact CD2-CB 4.26Å; F120-H124 AromaticContact CD2-CD2 3.48Å; F120-H124 VanDerWaalsContact CD2-CD2 3.48Å; F120-H124 WeakPolarHBondContact CD2-CD2 3.47Å; F120-H124 HydrophobicContact CE1-CB 4.03Å; F120-H124 HydrophobicContact CE2-CB 4.11Å; F120-H124 AromaticContact CE2-CD2 3.72Å; F120-H124 HydrophobicContact CG-CB 4.33Å; F120-H124 HydrophobicContact CZ-CB 3.99Å; F120-H124 WeakPolarHBondContact O-CA 3.26Å; F120-H124 VanDerWaalsContact O-CB 3.28Å; F120-H124 WeakPolarHBondContact O-CB 3.37Å; F120-H124 PolarHBondContact O-N 3.27Å; H124-C132 CarbonylContact O-C 3.49Å; H124-C132 VanDerWaalsContact O-CA 3.23Å; H124-C132 WeakPolarHBondContact O-CA 3.44Å; H124-N133 PolarHBondContact O-N 3.28Å
125	Y	96.3	Very high	94.7	Very high	23 Å²	23	65.2 Å²	65.2	9%	0.09	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117.5	174.8	-174.2	-108.7	0	0	0	111.5	G121 Y127 N130 F141 P179	G121-Y125 VanDerWaalsContact O-CB 3.24Å; G121-Y125 WeakPolarHBondContact O-CB 3.2Å; G121-Y125 PolarHBondContact O-N 2.94Å; Y125-Y127 HydrophobicContact CE1-CD2 4.03Å; Y125-Y127 HydrophobicContact CE1-CG 4.49Å; Y125-Y127 PolarHBondContact O-N 3.04Å; Y125-N130 PolarHBondContact OH-OD1 3.25Å; Y125-F141 AromaticContact CD1-CE1 3.46Å; Y125-F141 HydrophobicContact CD1-CE1 3.46Å; Y125-F141 VanDerWaalsContact CD1-CE1 3.46Å; Y125-F141 AromaticContact CD1-CZ 3.85Å; Y125-F141 HydrophobicContact CD1-CZ 3.85Å; Y125-F141 AromaticContact CD2-CD1 3.96Å; Y125-F141 HydrophobicContact CD2-CD1 3.96Å; Y125-F141 AromaticContact CD2-CE1 3.64Å; Y125-F141 HydrophobicContact CD2-CE1 3.64Å; Y125-F141 AromaticContact CE1-CE1 3.86Å; Y125-F141 HydrophobicContact CE1-CE1 3.86Å; Y125-F141 HydrophobicContact CE1-CZ 4.41Å; Y125-F141 HydrophobicContact CE2-CD1 4.46Å; Y125-F141 HydrophobicContact CE2-CE1 4.05Å; Y125-F141 AromaticContact CG-CD1 3.99Å; Y125-F141 HydrophobicContact CG-CD1 3.99Å; Y125-F141 AromaticContact CG-CE1 3.32Å; Y125-F141 HydrophobicContact CG-CE1 3.32Å; Y125-F141 AromaticContact CG-CZ 4Å; Y125-F141 HydrophobicContact CG-CZ 4Å; Y125-P179 HydrophobicContact CE1-CG 4.28Å; Y125-P179 WeakPolarHBondContact OH-CD 3.47Å
126	N	95.4	Very high	94.4	Very high	62 Å²	62	68 Å²	68	33%	0.332	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	103	168.7	-175.2	-32.1	0	0	0	109	L128 G129 N130 H131	N126-L128 PolarHBondContact OD1-N 3.25Å; N126-G129 PolarHBondContact OD1-N 3.41Å; N126-N130 WeakPolarHBondContact O-CA 3.45Å; N126-N130 PolarHBondContact O-N 2.87Å; N126-H131 WeakPolarHBondContact CB-O 3.1Å; N126-H131 PolarHBondContact N-O 2.93Å; N126-H131 PolarHBondContact O-N 2.78Å
127	Y	94.1	Very high	94.2	Very high	45 Å²	45	65.7 Å²	65.7	18%	0.176	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-47.7	-178.6	-176.6	-86.3	0	0	0	112.8	Y125 G129 N130 V178 F180 I181 Q182	Y125-Y127 HydrophobicContact CE1-CD2 4.03Å; Y125-Y127 HydrophobicContact CE1-CG 4.49Å; Y125-Y127 PolarHBondContact O-N 3.04Å; Y127-G129 VanDerWaalsContact C-N 3.29Å; Y127-G129 PolarHBondContact O-N 3.34Å; Y127-N130 PolarHBondContact O-N 2.99Å; Y127-N130 VanDerWaalsContact O-N 3.15Å; Y127-V178 HydrophobicContact CD2-CB 4.4Å; Y127-V178 HydrophobicContact CD2-CG1 4.32Å; Y127-V178 HydrophobicContact CE1-CG1 4.35Å; Y127-V178 HydrophobicContact CE2-CB 3.85Å; Y127-V178 HydrophobicContact CE2-CG1 4.11Å; Y127-V178 HydrophobicContact CE2-CG2 4.22Å; Y127-V178 VanDerWaalsContact O-CG1 3.29Å; Y127-V178 WeakPolarHBondContact O-CG1 3.22Å; Y127-F180 HydrophobicContact CE2-CD2 4.43Å; Y127-F180 HydrophobicContact CE2-CE2 4.38Å; Y127-F180 WeakPolarHBondContact CE2-O 3.35Å; Y127-F180 PolarHBondContact OH-O 3.28Å; Y127-I181 WeakPolarHBondContact OH-CA 3.45Å; Y127-Q182 HydrophobicContact CD1-CB 4.43Å; Y127-Q182 HydrophobicContact CD2-CB 4.45Å; Y127-Q182 VanDerWaalsContact CD2-CD 3.4Å; Y127-Q182 HydrophobicContact CD2-CG 3.77Å; Y127-Q182 HydrophobicContact CE1-CB 3.95Å; Y127-Q182 HydrophobicContact CE1-CG 4.31Å; Y127-Q182 HydrophobicContact CE2-CB 3.96Å; Y127-Q182 HydrophobicContact CE2-CG 3.5Å; Y127-Q182 HydrophobicContact CG-CG 4.27Å; Y127-Q182 PolarHBondContact OH-N 3.16Å
128	L	93.1	Very high	94.2	Very high	169 Å²	169	66.2 Å²	66.2	89%	0.885	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-37.3	-178	-66.5	178.8	0	0	0	112.3	N126	N126-L128 PolarHBondContact OD1-N 3.25Å
129	G	94.9	Very high	94.1	Very high	39 Å²	39	69.8 Å²	69.8	40%	0.402	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-0.4	178.4	0	0	0	0	0	114.6	N126 Y127 H131	N126-G129 PolarHBondContact OD1-N 3.41Å; Y127-G129 VanDerWaalsContact C-N 3.29Å; Y127-G129 PolarHBondContact O-N 3.34Å; G129-H131 VanDerWaalsContact C-N 3.27Å; G129-H131 VanDerWaalsContact C-ND1 3.32Å; G129-H131 PolarHBondContact O-N 3.4Å; G129-H131 PolarHBondContact O-ND1 3.17Å
130	N	95.7	Very high	94.2	Very high	30 Å²	30	65 Å²	65	16%	0.16	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	41.9	49.1	-172.3	-179.2	28.8	0	0	0	114	Y125 N126 Y127 R142 P175 N176 A177 V178	Y125-N130 PolarHBondContact OH-OD1 3.25Å; N126-N130 WeakPolarHBondContact O-CA 3.45Å; N126-N130 PolarHBondContact O-N 2.87Å; Y127-N130 PolarHBondContact O-N 2.99Å; Y127-N130 VanDerWaalsContact O-N 3.15Å; N130-R142 PolarHBondContact O-NH2 3.01Å; N130-R142 PolarHBondContact OD1-NE 3.35Å; N130-R142 PolarHBondContact OD1-NH2 3.01Å; N130-P175 PolarHBondContact ND2-O 2.03Å; N130-N176 PolarHBondContact ND2-O 2.77Å; N130-A177 WeakPolarHBondContact ND2-CA 3.14Å; N130-A177 PolarHBondContact ND2-N 3.02Å; N130-A177 VanDerWaalsContact ND2-N 3.15Å; N130-A177 PolarHBondContact ND2-O 2.82Å; N130-A177 PolarHBondContact OD1-O 3.46Å; N130-V178 HydrophobicContact CB-CG1 3.94Å
131	H	95.5	Very high	94.3	Very high	79 Å²	79	64.6 Å²	64.6	37%	0.366	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	159.5	177.7	62.8	-88.6	0	0	0	111.2	N126 G129	N126-H131 WeakPolarHBondContact CB-O 3.1Å; N126-H131 PolarHBondContact N-O 2.93Å; N126-H131 PolarHBondContact O-N 2.78Å; G129-H131 VanDerWaalsContact C-N 3.27Å; G129-H131 VanDerWaalsContact C-ND1 3.32Å; G129-H131 PolarHBondContact O-N 3.4Å; G129-H131 PolarHBondContact O-ND1 3.17Å
132	C	94.9	Very high	94.5	Very high	22 Å²	22	65.1 Å²	65.1	15%	0.149	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	141.9	170.3	-52.7	0	0	0	0	110	F120 H124 R134 C138	F120-C132 HydrophobicContact CE1-CB 4Å; F120-C132 HydrophobicContact CZ-CB 4.32Å; H124-C132 CarbonylContact O-C 3.49Å; H124-C132 VanDerWaalsContact O-CA 3.23Å; H124-C132 WeakPolarHBondContact O-CA 3.44Å; C132-R134 WeakPolarHBondContact CB-O 3.48Å; C132-R134 PolarHBondContact O-N 2.85Å; C132-C138 HydrophobicContact CB-CB 3.62Å; C132-C138 WeakPolarHBondContact CB-SG 3.28Å; C132-C138 WeakPolarHBondContact SG-CA 3.27Å; C132-C138 WeakPolarHBondContact SG-CB 3.43Å; C132-C138 CovalentContact SG-SG 2.02Å; C132-C138 PolarHBondContact SG-SG 3.15Å
133	N	93.9	Very high	94.7	Very high	111 Å²	111	61.4 Å²	61.4	59%	0.594	32%	0.322	S	S	*	.	S	Bend	trans	-71.9	-11	173.3	-63.7	-16.5	0	0	0	112.4	H124	H124-N133 PolarHBondContact O-N 3.28Å
134	R	91.4	Very high	94.9	Very high	150 Å²	150	55.3 Å²	55.3	57%	0.566	29%	0.291	S	S	*	.	S	Bend	trans	-136.7	154.8	174.6	-65.9	-178.5	177.9	-176.8	-1.4	108.7	F120 C132	F120-R134 HydrophobicContact CE2-CB 3.76Å; F120-R134 HydrophobicContact CZ-CB 3.76Å; F120-R134 VanDerWaalsContact CZ-O 3.3Å; F120-R134 WeakPolarHBondContact CZ-O 3.37Å; C132-R134 WeakPolarHBondContact CB-O 3.48Å; C132-R134 PolarHBondContact O-N 2.85Å
135	A	89.5	Confident	95	Very high	86 Å²	86	53.4 Å²	53.4	71%	0.711	28%	0.282	S	S	*	.	S	Bend	trans	-92	-25.8	-178.8	0	0	0	0	0	114	Y137 C138	A135-Y137 PolarHBondContact O-N 2.02Å; A135-Y137 VanDerWaalsContact O-N 3.09Å; A135-C138 WeakPolarHBondContact O-CB 3.29Å; A135-C138 PolarHBondContact O-N 2.85Å
136	E	89.2	Confident	95.1	Very high	130 Å²	130	53.6 Å²	53.6	61%	0.607	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	-47.4	-161.9	-170.2	-177.6	169.3	0	0	115.3	F120	F120-E136 HydrophobicContact CE2-CB 4.37Å
137	Y	93.6	Very high	95.2	Very high	29 Å²	29	53.4 Å²	53.4	11%	0.114	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	17.9	179.1	-57.1	-66.2	0	0	0	112.7	F101 F120 A135 L140 F141	F101-Y137 HydrophobicContact CD2-CD1 4.28Å; F101-Y137 AromaticContact CD2-CE1 3.8Å; F101-Y137 HydrophobicContact CD2-CE1 3.8Å; F101-Y137 HydrophobicContact CE2-CD1 4.33Å; F101-Y137 AromaticContact CE2-CE1 3.57Å; F101-Y137 HydrophobicContact CE2-CE1 3.57Å; F120-Y137 HydrophobicContact CB-CD2 4.17Å; F120-Y137 AromaticContact CD2-CD2 3.61Å; F120-Y137 HydrophobicContact CD2-CD2 3.61Å; F120-Y137 HydrophobicContact CD2-CG 4.29Å; F120-Y137 HydrophobicContact CE2-CD2 4.18Å; F120-Y137 HydrophobicContact CG-CD2 4.04Å; F120-Y137 HydrophobicContact CG-CG 4.4Å; A135-Y137 PolarHBondContact O-N 2.02Å; A135-Y137 VanDerWaalsContact O-N 3.09Å; Y137-L140 HydrophobicContact CD1-CD2 4.07Å; Y137-L140 PolarHBondContact O-N 3.06Å; Y137-F141 WeakPolarHBondContact O-CB 3.39Å; Y137-F141 PolarHBondContact O-N 2.74Å
138	C	95.2	Very high	95.4	Very high	11 Å²	11	54.9 Å²	54.9	7%	0.074	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-48.6	-170.8	-166.5	0	0	0	0	112.5	F120 C132 A135 F141 R142	F120-C138 HydrophobicContact CE1-CB 4.28Å; C132-C138 HydrophobicContact CB-CB 3.62Å; C132-C138 WeakPolarHBondContact CB-SG 3.28Å; C132-C138 WeakPolarHBondContact SG-CA 3.27Å; C132-C138 WeakPolarHBondContact SG-CB 3.43Å; C132-C138 CovalentContact SG-SG 2.02Å; C132-C138 PolarHBondContact SG-SG 3.15Å; A135-C138 WeakPolarHBondContact O-CB 3.29Å; A135-C138 PolarHBondContact O-N 2.85Å; C138-F141 PolarHBondContact O-N 3.1Å; C138-R142 PolarHBondContact O-N 3.45Å; C138-R142 PolarHBondContact SG-NH1 3.34Å
139	D	95.3	Very high	95.7	Very high	100 Å²	100	47 Å²	47	54%	0.535	24%	0.244	S	C	.	.	H	α-helix	trans	-70.7	-36.4	178.6	-67.3	-27.9	0	0	0	111.6	R142 Q143	D139-R142 PolarHBondContact O-N 3.01Å; D139-R142 IonicContact OD1-NH1 3.07Å; D139-Q143 WeakPolarHBondContact O-CB 3.43Å; D139-Q143 PolarHBondContact O-N 3.45Å
140	L	97.1	Very high	95.8	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.047	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-46.4	174.6	-179.4	62.8	0	0	0	111.1	F101 Y113 P117 Y137 Q143 V144	F101-L140 HydrophobicContact CB-CD2 4.09Å; F101-L140 HydrophobicContact CD2-CD2 3.71Å; F101-L140 HydrophobicContact CG-CD2 4.34Å; Y113-L140 HydrophobicContact CE1-CD1 4.07Å; Y113-L140 HydrophobicContact CE2-CD1 4.04Å; Y113-L140 WeakPolarHBondContact OH-CD1 3.29Å; P117-L140 HydrophobicContact CB-CB 4.45Å; P117-L140 HydrophobicContact CB-CD2 4.04Å; P117-L140 HydrophobicContact CB-CG 3.92Å; P117-L140 HydrophobicContact CG-CD2 3.76Å; P117-L140 HydrophobicContact CG-CG 3.88Å; Y137-L140 HydrophobicContact CD1-CD2 4.07Å; Y137-L140 PolarHBondContact O-N 3.06Å; L140-Q143 PolarHBondContact O-N 2.93Å; L140-V144 HydrophobicContact CD1-CG2 3.82Å; L140-V144 HydrophobicContact CG-CG2 4.2Å; L140-V144 WeakPolarHBondContact O-CB 3.4Å; L140-V144 VanDerWaalsContact O-CG2 3.29Å; L140-V144 WeakPolarHBondContact O-CG2 3.49Å; L140-V144 PolarHBondContact O-N 2.92Å
141	F	97.7	Very high	95.9	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-56.5	-51.4	173.6	165.9	-100.1	0	0	0	111	M59 P117 G121 Y125 Y137 C138 Q143 V144 F145 P179 F180	M59-F141 HydrophobicContact CE-CE2 3.75Å; M59-F141 HydrophobicContact SD-CE2 4.46Å; P117-F141 HydrophobicContact CB-CB 4.13Å; P117-F141 VanDerWaalsContact O-CD2 3.29Å; P117-F141 WeakPolarHBondContact O-CD2 2.92Å; G121-F141 VanDerWaalsContact CA-CD2 3.44Å; G121-F141 VanDerWaalsContact CA-CE2 3.4Å; Y125-F141 AromaticContact CD1-CE1 3.46Å; Y125-F141 HydrophobicContact CD1-CE1 3.46Å; Y125-F141 VanDerWaalsContact CD1-CE1 3.46Å; Y125-F141 AromaticContact CD1-CZ 3.85Å; Y125-F141 HydrophobicContact CD1-CZ 3.85Å; Y125-F141 AromaticContact CD2-CD1 3.96Å; Y125-F141 HydrophobicContact CD2-CD1 3.96Å; Y125-F141 AromaticContact CD2-CE1 3.64Å; Y125-F141 HydrophobicContact CD2-CE1 3.64Å; Y125-F141 AromaticContact CE1-CE1 3.86Å; Y125-F141 HydrophobicContact CE1-CE1 3.86Å; Y125-F141 HydrophobicContact CE1-CZ 4.41Å; Y125-F141 HydrophobicContact CE2-CD1 4.46Å; Y125-F141 HydrophobicContact CE2-CE1 4.05Å; Y125-F141 AromaticContact CG-CD1 3.99Å; Y125-F141 HydrophobicContact CG-CD1 3.99Å; Y125-F141 AromaticContact CG-CE1 3.32Å; Y125-F141 HydrophobicContact CG-CE1 3.32Å; Y125-F141 AromaticContact CG-CZ 4Å; Y125-F141 HydrophobicContact CG-CZ 4Å; Y137-F141 WeakPolarHBondContact O-CB 3.39Å; Y137-F141 PolarHBondContact O-N 2.74Å; C138-F141 PolarHBondContact O-N 3.1Å; F141-Q143 PolarHBondContact O-N 3.36Å; F141-V144 PolarHBondContact O-N 3.23Å; F141-F145 AromaticContact CD2-CD2 3.31Å; F141-F145 HydrophobicContact CD2-CD2 3.31Å; F141-F145 AromaticContact CD2-CE2 3.83Å; F141-F145 HydrophobicContact CD2-CE2 3.83Å; F141-F145 HydrophobicContact CD2-CG 4.19Å; F141-F145 HydrophobicContact CE2-CB 4.29Å; F141-F145 AromaticContact CE2-CD2 3.57Å; F141-F145 HydrophobicContact CE2-CD2 3.57Å; F141-F145 HydrophobicContact CE2-CE2 4.22Å; F141-F145 HydrophobicContact CE2-CG 4.03Å; F141-F145 HydrophobicContact CG-CD2 4.2Å; F141-F145 WeakPolarHBondContact O-CB 3.29Å; F141-F145 VanDerWaalsContact O-CD2 3.27Å; F141-F145 WeakPolarHBondContact O-CD2 3.37Å; F141-F145 PolarHBondContact O-N 2.96Å; F141-P179 HydrophobicContact CE1-CG 3.89Å; F141-P179 HydrophobicContact CZ-CG 4.26Å; F141-F180 HydrophobicContact CZ-CE1 4.04Å
142	R	97.4	Very high	96.1	Very high	17 Å²	17	45.8 Å²	45.8	6%	0.064	23%	0.229	C	C	.	.	H	α-helix	trans	-57.8	-39.7	178.8	-74.8	-166.1	-177.7	94.4	-1.3	112.4	N130 C138 D139 W146 Q173	N130-R142 PolarHBondContact O-NH2 3.01Å; N130-R142 PolarHBondContact OD1-NE 3.35Å; N130-R142 PolarHBondContact OD1-NH2 3.01Å; C138-R142 PolarHBondContact O-N 3.45Å; C138-R142 PolarHBondContact SG-NH1 3.34Å; D139-R142 PolarHBondContact O-N 3.01Å; D139-R142 IonicContact OD1-NH1 3.07Å; R142-W146 WeakPolarHBondContact O-CA 3.24Å; R142-W146 WeakPolarHBondContact O-CB 2.94Å; R142-W146 PolarHBondContact O-N 2.99Å; R142-Q173 HydrophobicContact CB-CB 4.15Å; R142-Q173 HydrophobicContact CB-CG 4.03Å
143	Q	98.2	Very high	96.3	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-73.3	-47.3	-178.7	-172.3	58.3	66.6	0	0	112.7	D139 L140 F141 F145 W146 Y169 H171 Q173	D139-Q143 WeakPolarHBondContact O-CB 3.43Å; D139-Q143 PolarHBondContact O-N 3.45Å; L140-Q143 PolarHBondContact O-N 2.93Å; F141-Q143 PolarHBondContact O-N 3.36Å; Q143-F145 VanDerWaalsContact C-N 3.27Å; Q143-F145 PolarHBondContact O-N 3.49Å; Q143-W146 PolarHBondContact O-N 2.89Å; Q143-Y169 HydrophobicContact CG-CD2 3.64Å; Q143-Y169 HydrophobicContact CG-CE2 3.66Å; Q143-Y169 HydrophobicContact CG-CG 4.37Å; Q143-H171 PolarHBondContact NE2-O 3.47Å; Q143-Q173 HydrophobicContact CB-CB 4.49Å; Q143-Q173 HydrophobicContact CB-CG 4.08Å
144	V	98.4	Very high	96.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.3	-36.6	179	170.9	0	0	0	0	111.3	R56 Y113 P117 L140 F141 Y169	R56-V144 PolarHBondContact NH1-O 3.33Å; Y113-V144 HydrophobicContact CE1-CG2 3.94Å; P117-V144 HydrophobicContact CG-CG2 4.37Å; L140-V144 HydrophobicContact CD1-CG2 3.82Å; L140-V144 HydrophobicContact CG-CG2 4.2Å; L140-V144 WeakPolarHBondContact O-CB 3.4Å; L140-V144 VanDerWaalsContact O-CG2 3.29Å; L140-V144 WeakPolarHBondContact O-CG2 3.49Å; L140-V144 PolarHBondContact O-N 2.92Å; F141-V144 PolarHBondContact O-N 3.23Å; V144-Y169 WeakPolarHBondContact CG2-OH 3.42Å
145	F	98.1	Very high	96.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	13.6	-176.9	-62.3	-76.5	0	0	0	113.5	A55 R56 M59 M65 F118 F141 Q143 Y147 F180	A55-F145 HydrophobicContact CB-CE1 4.15Å; A55-F145 HydrophobicContact CB-CZ 4.15Å; R56-F145 HydrophobicContact CG-CD1 4.19Å; R56-F145 HydrophobicContact CG-CE1 4.34Å; M59-F145 HydrophobicContact CB-CD1 4.43Å; M59-F145 HydrophobicContact CE-CD1 3.35Å; M59-F145 HydrophobicContact CE-CD2 3.89Å; M59-F145 HydrophobicContact CE-CE1 3.3Å; M59-F145 HydrophobicContact CE-CE2 3.86Å; M59-F145 HydrophobicContact CE-CG 3.67Å; M59-F145 HydrophobicContact CE-CZ 3.6Å; M65-F145 HydrophobicContact CE-CB 4.16Å; M65-F145 HydrophobicContact CE-CD1 4.29Å; M65-F145 WeakPolarHBondContact CE-O 3.4Å; M65-F145 VanDerWaalsContact SD-O 3.35Å; F118-F145 HydrophobicContact CB-CE2 4.2Å; F118-F145 HydrophobicContact CB-CZ 3.76Å; F118-F145 AromaticContact CD2-CE1 3.82Å; F118-F145 HydrophobicContact CD2-CE1 3.82Å; F118-F145 HydrophobicContact CD2-CE2 4.5Å; F118-F145 AromaticContact CD2-CZ 3.57Å; F118-F145 HydrophobicContact CD2-CZ 3.57Å; F118-F145 HydrophobicContact CG-CZ 4.16Å; F141-F145 AromaticContact CD2-CD2 3.31Å; F141-F145 HydrophobicContact CD2-CD2 3.31Å; F141-F145 AromaticContact CD2-CE2 3.83Å; F141-F145 HydrophobicContact CD2-CE2 3.83Å; F141-F145 HydrophobicContact CD2-CG 4.19Å; F141-F145 HydrophobicContact CE2-CB 4.29Å; F141-F145 AromaticContact CE2-CD2 3.57Å; F141-F145 HydrophobicContact CE2-CD2 3.57Å; F141-F145 HydrophobicContact CE2-CE2 4.22Å; F141-F145 HydrophobicContact CE2-CG 4.03Å; F141-F145 HydrophobicContact CG-CD2 4.2Å; F141-F145 WeakPolarHBondContact O-CB 3.29Å; F141-F145 VanDerWaalsContact O-CD2 3.27Å; F141-F145 WeakPolarHBondContact O-CD2 3.37Å; F141-F145 PolarHBondContact O-N 2.96Å; Q143-F145 VanDerWaalsContact C-N 3.27Å; Q143-F145 PolarHBondContact O-N 3.49Å; F145-Y147 PolarHBondContact O-N 2.77Å; F145-F180 HydrophobicContact CB-CD1 4.13Å; F145-F180 HydrophobicContact CB-CE1 4.05Å; F145-F180 WeakPolarHBondContact O-CD1 2.98Å
146	W	98.6	Very high	97.3	Very high	27 Å²	27	29.2 Å²	29.2	10%	0.102	14%	0.137	C	C	.	.			trans	-61.3	126.2	173.3	-171.1	-114	0	0	0	109.5	R56 R142 Q143 K148 K172 Q173 N174 A177 P179	R56-W146 VanDerWaalsContact CZ-O 3.29Å; R56-W146 PolarHBondContact NH1-O 2.96Å; R56-W146 PolarHBondContact NH2-O 2.03Å; R142-W146 WeakPolarHBondContact O-CA 3.24Å; R142-W146 WeakPolarHBondContact O-CB 2.94Å; R142-W146 PolarHBondContact O-N 2.99Å; Q143-W146 PolarHBondContact O-N 2.89Å; W146-K148 PolarHBondContact O-N 2.85Å; W146-K148 VanDerWaalsContact O-N 3.15Å; W146-K172 PolarHBondContact NE1-O 3.22Å; W146-Q173 HydrophobicContact CB-CB 4.19Å; W146-Q173 HydrophobicContact CD2-CB 3.99Å; W146-Q173 HydrophobicContact CE3-CB 3.77Å; W146-Q173 HydrophobicContact CG-CB 4.15Å; W146-N174 HydrophobicContact CH2-CB 3.55Å; W146-N174 HydrophobicContact CZ2-CB 4.1Å; W146-N174 HydrophobicContact CZ3-CB 4.08Å; W146-A177 HydrophobicContact CH2-CB 4.15Å; W146-A177 HydrophobicContact CZ3-CB 4.43Å; W146-P179 CarbonylContact C-O 3.57Å; W146-P179 HydrophobicContact CE3-CB 4.12Å
147	Y	98.1	Very high	97.7	Very high	57 Å²	57	23 Å²	23	22%	0.224	11%	0.108	C	C	.	.	S	Bend	trans	-59.8	-35.9	-168.1	81	-82.1	0	0	0	112.1	R56 N64 Q66 F145 P179	R56-Y147 PolarHBondContact NH2-O 3Å; N64-Y147 VanDerWaalsContact ND2-CD2 3.26Å; N64-Y147 WeakPolarHBondContact ND2-CD2 3.39Å; Q66-Y147 WeakPolarHBondContact CB-O 3.23Å; Q66-Y147 WeakPolarHBondContact CG-O 2.97Å; Q66-Y147 PolarHBondContact N-O 3.15Å; F145-Y147 PolarHBondContact O-N 2.77Å; Y147-P179 WeakPolarHBondContact CB-O 3.45Å; Y147-P179 PolarHBondContact N-O 3.41Å
148	K	98.2	Very high	97.9	Very high	77 Å²	77	22 Å²	22	34%	0.335	10%	0.104	S	C	.	.			trans	-84.2	124.4	-177.8	-159.9	-176.6	177.1	-159.4	0	109.9	W146 H171	W146-K148 PolarHBondContact O-N 2.85Å; W146-K148 VanDerWaalsContact O-N 3.15Å; K148-H171 HydrophobicContact CB-CB 4.35Å; K148-H171 WeakPolarHBondContact CD-ND1 2.98Å; K148-H171 WeakPolarHBondContact CE-CE1 3.41Å; K148-H171 WeakPolarHBondContact CE-ND1 3.04Å; K148-H171 PolarHBondContact NZ-CE1 3.07Å; K148-H171 VanDerWaalsContact NZ-CE1 3.27Å; K148-H171 PolarHBondContact NZ-ND1 2.63Å; K148-H171 WeakPolarHBondContact O-CB 2.99Å
149	A	98.1	Very high	97.9	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.033	11%	0.107	C	C	.	.			trans	-144.6	146.6	-174.9	0	0	0	0	0	109.5	Q66 C67 L68 K196	Q66-A149 HydrophobicContact CB-CB 4.1Å; Q66-A149 VanDerWaalsContact OE1-N 3.09Å; Q66-A149 PolarHBondContact OE1-O 3.31Å; C67-A149 WeakPolarHBondContact O-CB 3.4Å; L68-A149 HydrophobicContact CD2-CB 3.76Å; L68-A149 HydrophobicContact CG-CB 4.07Å; A149-K196 WeakPolarHBondContact O-CE 3.16Å
150	D	98	Very high	97.9	Very high	54 Å²	54	18.6 Å²	18.6	29%	0.289	9%	0.091	S	C	.	.			trans	-137.9	-73	169.5	-77.8	-42	0	0	0	108.2	L68 S69 T170 H171 K196	L68-D150 CarbonylContact C-O 3.56Å; L68-D150 WeakPolarHBondContact CA-O 3.43Å; S69-D150 PolarHBondContact N-O 3.14Å; D150-T170 HydrophobicContact CB-CG2 4.12Å; D150-H171 IonicContact OD2-CD2 3.79Å; D150-H171 IonicContact OD2-CE1 3.4Å; D150-H171 PolarHBondContact OD2-CE1 3.47Å; D150-H171 IonicContact OD2-NE2 2.66Å; D150-H171 PolarHBondContact OD2-NE2 2.73Å; D150-K196 WeakPolarHBondContact OD1-CE 2.94Å; D150-K196 IonicContact OD1-NZ 3.54Å; D150-K196 PolarHBondContact OD1-NZ 2.9Å
151	E	98.7	Very high	97.8	Very high	67 Å²	67	21.7 Å²	21.7	31%	0.313	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	160.9	-178.2	-57.4	161.3	118.8	0	0	111.5	D70 N72 L75 T170	D70-E151 WeakPolarHBondContact O-CA 3.37Å; N72-E151 HydrophobicContact CB-CB 3.74Å; N72-E151 HydrophobicContact CB-CG 4.18Å; N72-E151 PolarHBondContact ND2-OE1 2.94Å; N72-E151 PolarHBondContact ND2-OE2 2.73Å; L75-E151 HydrophobicContact CD1-CB 3.97Å; E151-T170 WeakPolarHBondContact CB-OG1 3.41Å; E151-T170 PolarHBondContact N-OG1 2.73Å; E151-T170 PolarHBondContact O-N 3.02Å; E151-T170 VanDerWaalsContact O-N 3.15Å; E151-T170 PolarHBondContact O-OG1 3.23Å
152	I	98.8	Very high	97.7	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	156	176.9	-170.5	171	0	0	0	110.6	L49 L68 D70 V71 N72 C167 A168 Y169	L49-I152 HydrophobicContact CB-CG2 4.36Å; L49-I152 HydrophobicContact CD1-CG2 3.75Å; L68-I152 HydrophobicContact CD1-CB 4.15Å; L68-I152 HydrophobicContact CD1-CD1 3.98Å; L68-I152 HydrophobicContact CD1-CG2 4.15Å; L68-I152 HydrophobicContact CD2-CB 4.08Å; D70-I152 PolarHBondContact O-N 3.37Å; D70-I152 VanDerWaalsContact O-N 3.15Å; V71-I152 CarbonylContact C-O 3.5Å; V71-I152 VanDerWaalsContact CA-O 3.27Å; V71-I152 WeakPolarHBondContact CA-O 3.49Å; N72-I152 PolarHBondContact N-O 2.84Å; I152-C167 HydrophobicContact CD1-CB 4.18Å; I152-C167 HydrophobicContact CG1-CB 4.26Å; I152-A168 CarbonylContact C-O 3Å; I152-A168 WeakPolarHBondContact CA-O 3.42Å; I152-A168 WeakPolarHBondContact CG1-O 3.35Å; I152-Y169 HydrophobicContact CD1-CD1 4.03Å; I152-Y169 HydrophobicContact CD1-CE1 3.5Å; I152-Y169 HydrophobicContact CG1-CD1 4.12Å; I152-Y169 HydrophobicContact CG1-CE1 4.06Å
153	G	98.9	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	142.5	161.7	0	0	0	0	0	109.9	A79 C167 A168	A79-G153 WeakPolarHBondContact CB-O 3.48Å; G153-C167 CarbonylContact O-C 3.53Å; G153-C167 WeakPolarHBondContact O-CA 3.44Å; G153-A168 PolarHBondContact N-O 3.23Å; G153-A168 PolarHBondContact O-N 3.33Å
154	C	98.8	Very high	97.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.8	-174.3	-60	0	0	0	0	112.7	F40 Q45 M48 V166 C167	F40-C154 HydrophobicContact CD2-CB 3.8Å; F40-C154 HydrophobicContact CE2-CB 3.84Å; Q45-C154 PolarHBondContact NE2-O 3.13Å; M48-C154 HydrophobicContact CE-CB 4.02Å; M48-C154 WeakPolarHBondContact CE-SG 3.45Å; C154-V166 CarbonylContact C-O 3.54Å; C154-V166 VanDerWaalsContact CA-O 3.29Å; C154-V166 WeakPolarHBondContact CA-O 3.32Å; C154-C167 HydrophobicContact CB-CB 4.11Å; C154-C167 WeakPolarHBondContact CB-SG 3.5Å; C154-C167 WeakPolarHBondContact SG-CB 3.03Å; C154-C167 CovalentContact SG-SG 2.05Å; C154-C167 PolarHBondContact SG-SG 2.8Å
155	G	98.5	Very high	97.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	153	174.3	0	0	0	0	0	111.2	Q80 I165 V166	Q80-G155 VanDerWaalsContact OE1-CA 3.26Å; G155-I165 WeakPolarHBondContact O-CA 3.48Å; G155-V166 PolarHBondContact N-O 2.85Å; G155-V166 PolarHBondContact O-N 2.87Å
156	R	98.3	Very high	97.6	Very high	21 Å²	21	22.8 Å²	22.8	8%	0.079	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	135.2	178.9	174.8	-177.2	66	-162.3	-4.5	110.9	R38 P39 F40 E44 Q80 T108 T163 F164 I165	R38-R156 CarbonylContact C-O 3.51Å; R38-R156 WeakPolarHBondContact CA-O 3.32Å; R38-R156 HydrophobicContact CB-CG 4.38Å; R38-R156 PolarHBondContact N-O 3.19Å; R38-R156 VanDerWaalsContact O-CB 3.26Å; R38-R156 WeakPolarHBondContact O-CB 3.47Å; R38-R156 PolarHBondContact O-NE 3.29Å; R38-R156 PolarHBondContact O-NH2 3.35Å; P39-R156 PolarHBondContact O-NH2 3.24Å; F40-R156 HydrophobicContact CD2-CB 3.96Å; F40-R156 VanDerWaalsContact CE1-NH1 3.32Å; F40-R156 HydrophobicContact CE2-CB 3.64Å; F40-R156 HydrophobicContact CZ-CB 3.97Å; F40-R156 HydrophobicContact CZ-CG 4.48Å; E44-R156 IonicContact OE1-CZ 3.09Å; E44-R156 IonicContact OE1-NH1 3.13Å; E44-R156 PolarHBondContact OE1-NH1 2.99Å; E44-R156 IonicContact OE1-NH2 3.46Å; E44-R156 PolarHBondContact OE1-NH2 2.83Å; E44-R156 VanDerWaalsContact OE1-NH2 3.09Å; E44-R156 IonicContact OE2-NH2 3.13Å; E44-R156 PolarHBondContact OE2-NH2 3.04Å; E44-R156 VanDerWaalsContact OE2-NH2 3.13Å; Q80-R156 PolarHBondContact NE2-O 2.84Å; Q80-R156 PolarHBondContact OE1-O 3.44Å; T108-R156 VanDerWaalsContact CA-NH1 3.32Å; T108-R156 WeakPolarHBondContact O-CD 3.37Å; T108-R156 PolarHBondContact O-NH1 3.28Å; R156-T163 HydrophobicContact CG-CG2 3.74Å; R156-F164 WeakPolarHBondContact CA-O 3.34Å; R156-I165 HydrophobicContact CB-CG1 4.24Å; R156-I165 HydrophobicContact CG-CG1 4.06Å
157	T	97.8	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	138.8	178.9	-62.6	0	0	0	0	109.1	K35 V36 Q80 D84 C159 F164	K35-T157 HydrophobicContact CD-CG2 4Å; K35-T157 HydrophobicContact CG-CG2 3.42Å; K35-T157 VanDerWaalsContact CG-CG2 3.42Å; V36-T157 WeakPolarHBondContact O-CG2 3.42Å; Q80-T157 PolarHBondContact NE2-OG1 3.11Å; Q80-T157 VanDerWaalsContact NE2-OG1 3.12Å; D84-T157 PolarHBondContact N-OG1 2.98Å; D84-T157 VanDerWaalsContact OD1-CG2 3.24Å; D84-T157 WeakPolarHBondContact OD1-CG2 3.41Å; D84-T157 PolarHBondContact OD1-OG1 3.26Å; T157-C159 PolarHBondContact O-N 2.93Å; T157-F164 PolarHBondContact N-O 3.38Å; T157-F164 PolarHBondContact O-N 3.37Å
158	T	97	Very high	97.7	Very high	7 Å²	7	18.8 Å²	18.8	4%	0.043	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	116.6	165.2	-58.8	0	0	0	0	108.6	K35 V36 R38 V106 G160 Q162	K35-T158 WeakPolarHBondContact CA-O 3.35Å; V36-T158 PolarHBondContact N-O 2.83Å; V36-T158 PolarHBondContact O-N 3.23Å; R38-T158 WeakPolarHBondContact CD-OG1 3.46Å; R38-T158 PolarHBondContact NE-OG1 3.38Å; V106-T158 HydrophobicContact CG2-CG2 4.08Å; T158-G160 WeakPolarHBondContact CG2-O 3.49Å; T158-Q162 CarbonylContact C-O 3.54Å; T158-Q162 WeakPolarHBondContact CA-O 3.47Å
159	C	95.9	Very high	97.7	Very high	20 Å²	20	15.6 Å²	15.6	14%	0.135	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	91.7	178.7	-63.4	0	0	0	0	108.6	C86 T157 T161 Q162 F164	C86-C159 WeakPolarHBondContact CA-SG 2.91Å; C86-C159 HydrophobicContact CB-CB 3.68Å; C86-C159 WeakPolarHBondContact CB-SG 3.48Å; C86-C159 VanDerWaalsContact SG-CA 3.59Å; C86-C159 WeakPolarHBondContact SG-CB 3.42Å; C86-C159 CovalentContact SG-SG 2.03Å; C86-C159 PolarHBondContact SG-SG 3.13Å; T157-C159 PolarHBondContact O-N 2.93Å; C159-T161 PolarHBondContact O-N 3.36Å; C159-Q162 PolarHBondContact N-O 3.35Å; C159-Q162 PolarHBondContact O-N 3.36Å; C159-F164 HydrophobicContact CB-CB 4.31Å
160	G	94.9	Very high	97.7	Very high	19 Å²	19	17.6 Å²	17.6	20%	0.196	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	-120.1	-172.2	0	0	0	0	0	113.2	F33 T158 Q162	F33-G160 VanDerWaalsContact CB-CA 3.44Å; T158-G160 WeakPolarHBondContact CG2-O 3.49Å; G160-Q162 VanDerWaalsContact C-N 3.31Å
161	T	94.5	Very high	97.7	Very high	74 Å²	74	16.4 Å²	16.4	45%	0.454	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	3	178.1	64.8	0	0	0	0	113.5	F33 Q104 G105 C159	F33-T161 HydrophobicContact CD1-CG2 3.86Å; F33-T161 HydrophobicContact CE1-CG2 3.24Å; F33-T161 HydrophobicContact CZ-CG2 3.75Å; Q104-T161 PolarHBondContact OE1-OG1 3.44Å; G105-T161 VanDerWaalsContact CA-O 3.32Å; G105-T161 WeakPolarHBondContact CA-O 3.41Å; G105-T161 PolarHBondContact N-O 3.09Å; C159-T161 PolarHBondContact O-N 3.36Å
162	Q	95.7	Very high	97.7	Very high	50 Å²	50	18.3 Å²	18.3	23%	0.234	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.5	-174.7	-65.2	-177.8	-29.5	0	0	111.3	I103 T158 C159 G160	I103-Q162 CarbonylContact O-C 3.56Å; I103-Q162 VanDerWaalsContact O-CA 3.23Å; I103-Q162 WeakPolarHBondContact O-CA 3.44Å; I103-Q162 WeakPolarHBondContact O-CB 3.36Å; T158-Q162 CarbonylContact C-O 3.54Å; T158-Q162 WeakPolarHBondContact CA-O 3.47Å; C159-Q162 PolarHBondContact N-O 3.35Å; C159-Q162 PolarHBondContact O-N 3.36Å; G160-Q162 VanDerWaalsContact C-N 3.31Å
163	T	97.2	Very high	97.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125.8	160.8	-58.6	0	0	0	0	108.2	R102 I103 G105 V106 R107 R156 I165	R102-T163 WeakPolarHBondContact CA-O 3.19Å; I103-T163 HydrophobicContact CG2-CG2 4.47Å; I103-T163 PolarHBondContact N-O 2.64Å; I103-T163 PolarHBondContact O-N 3.15Å; G105-T163 PolarHBondContact O-N 2.77Å; G105-T163 VanDerWaalsContact O-N 3.12Å; G105-T163 PolarHBondContact O-OG1 3.36Å; V106-T163 WeakPolarHBondContact CA-OG1 3.45Å; R107-T163 PolarHBondContact N-OG1 3.17Å; R107-T163 WeakPolarHBondContact O-CG2 3.4Å; R156-T163 HydrophobicContact CG-CG2 3.74Å; T163-I165 HydrophobicContact CG2-CD1 4.27Å; T163-I165 HydrophobicContact CG2-CG1 4.05Å
164	F	97.5	Very high	97.5	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.5	176.2	-174.9	-140.3	0	0	0	108.8	A83 I87 H88 F100 F101 R102 R156 T157 C159 V166	A83-F164 WeakPolarHBondContact O-CD1 3.45Å; I87-F164 WeakPolarHBondContact O-CZ 3.37Å; H88-F164 HydrophobicContact CB-CE2 4.35Å; H88-F164 HydrophobicContact CB-CZ 4.36Å; F100-F164 HydrophobicContact CB-CE2 4.3Å; F100-F164 AromaticContact CD1-CE2 3.98Å; F100-F164 HydrophobicContact CD1-CE2 3.98Å; F100-F164 AromaticContact CD1-CZ 3.63Å; F100-F164 HydrophobicContact CD1-CZ 3.63Å; F100-F164 HydrophobicContact CE1-CZ 4.26Å; F101-F164 WeakPolarHBondContact O-CD2 3.25Å; R102-F164 HydrophobicContact CG-CD2 3.44Å; R102-F164 VanDerWaalsContact CG-CD2 3.44Å; R102-F164 HydrophobicContact CG-CE2 3.99Å; R102-F164 HydrophobicContact CG-CG 4.34Å; R156-F164 WeakPolarHBondContact CA-O 3.34Å; T157-F164 PolarHBondContact N-O 3.38Å; T157-F164 PolarHBondContact O-N 3.37Å; C159-F164 HydrophobicContact CB-CB 4.31Å; F164-V166 HydrophobicContact CD1-CG2 4.45Å; F164-V166 HydrophobicContact CE1-CG2 3.95Å; F164-V166 HydrophobicContact CE2-CG2 4.22Å; F164-V166 HydrophobicContact CZ-CG2 3.84Å
165	I	98.5	Very high	97.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.1	-179.3	-63.1	168	0	0	0	108.1	F40 M48 F101 G109 Y113 G155 R156 T163	F40-I165 HydrophobicContact CE2-CG1 4.47Å; F40-I165 HydrophobicContact CE2-CG2 3.88Å; F40-I165 HydrophobicContact CZ-CD1 4.02Å; F40-I165 HydrophobicContact CZ-CG1 4.15Å; F40-I165 HydrophobicContact CZ-CG2 4.07Å; M48-I165 HydrophobicContact CE-CG2 4.28Å; F101-I165 HydrophobicContact CB-CB 4.4Å; F101-I165 HydrophobicContact CD1-CD1 4.32Å; F101-I165 PolarHBondContact N-O 3.42Å; F101-I165 PolarHBondContact O-N 3.46Å; G109-I165 WeakPolarHBondContact O-CD1 3.02Å; Y113-I165 HydrophobicContact CD2-CB 3.83Å; Y113-I165 HydrophobicContact CD2-CG2 3.29Å; Y113-I165 HydrophobicContact CE2-CB 4.31Å; Y113-I165 HydrophobicContact CE2-CG2 3.68Å; Y113-I165 HydrophobicContact CG-CG2 4.11Å; G155-I165 WeakPolarHBondContact O-CA 3.48Å; R156-I165 HydrophobicContact CB-CG1 4.24Å; R156-I165 HydrophobicContact CG-CG1 4.06Å; T163-I165 HydrophobicContact CG2-CD1 4.27Å; T163-I165 HydrophobicContact CG2-CG1 4.05Å
166	V	98.5	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.2	173.5	-178.1	0	0	0	0	107.2	A79 V82 A83 L98 G99 F100 C154 G155 F164	A79-V166 HydrophobicContact CB-CG1 4.42Å; V82-V166 HydrophobicContact CB-CG1 4.24Å; V82-V166 HydrophobicContact CG1-CG1 4.03Å; V82-V166 HydrophobicContact CG1-CG2 4.21Å; A83-V166 HydrophobicContact CB-CB 4.26Å; A83-V166 HydrophobicContact CB-CG2 3.95Å; L98-V166 HydrophobicContact CD2-CG1 4.26Å; G99-V166 CarbonylContact O-C 3.56Å; G99-V166 WeakPolarHBondContact O-CA 3.41Å; F100-V166 HydrophobicContact CD1-CG1 4.32Å; F100-V166 HydrophobicContact CD1-CG2 3.72Å; F100-V166 HydrophobicContact CE1-CG1 4.21Å; F100-V166 HydrophobicContact CE1-CG2 4.04Å; C154-V166 CarbonylContact C-O 3.54Å; C154-V166 VanDerWaalsContact CA-O 3.29Å; C154-V166 WeakPolarHBondContact CA-O 3.32Å; G155-V166 PolarHBondContact N-O 2.85Å; G155-V166 PolarHBondContact O-N 2.87Å; F164-V166 HydrophobicContact CD1-CG2 4.45Å; F164-V166 HydrophobicContact CE1-CG2 3.95Å; F164-V166 HydrophobicContact CE2-CG2 4.22Å; F164-V166 HydrophobicContact CZ-CG2 3.84Å
167	C	98.8	Very high	97.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	137.6	164.1	-61.2	0	0	0	0	109.4	M48 L98 G99 Y113 I152 G153 C154 Y169	M48-C167 WeakPolarHBondContact CE-SG 3.23Å; L98-C167 WeakPolarHBondContact CA-O 3.35Å; G99-C167 PolarHBondContact N-O 2.92Å; G99-C167 PolarHBondContact O-N 3.19Å; Y113-C167 HydrophobicContact CE1-CB 4.19Å; Y113-C167 VanDerWaalsContact CZ-SG 3.51Å; Y113-C167 VanDerWaalsContact OH-CB 3.31Å; Y113-C167 WeakPolarHBondContact OH-CB 3.22Å; Y113-C167 PolarHBondContact OH-N 2.85Å; I152-C167 HydrophobicContact CD1-CB 4.18Å; I152-C167 HydrophobicContact CG1-CB 4.26Å; G153-C167 CarbonylContact O-C 3.53Å; G153-C167 WeakPolarHBondContact O-CA 3.44Å; C154-C167 HydrophobicContact CB-CB 4.11Å; C154-C167 WeakPolarHBondContact CB-SG 3.5Å; C154-C167 WeakPolarHBondContact SG-CB 3.03Å; C154-C167 CovalentContact SG-SG 2.05Å; C154-C167 PolarHBondContact SG-SG 2.8Å; C167-Y169 HydrophobicContact CB-CE2 3.69Å; C167-Y169 WeakPolarHBondContact O-CD2 3.06Å; C167-Y169 VanDerWaalsContact O-CE2 3.28Å; C167-Y169 WeakPolarHBondContact O-CE2 3.29Å
168	A	98.8	Very high	97.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139.9	169.8	0	0	0	0	0	109.9	L75 Y78 A79 G97 L98 I152 G153	L75-A168 HydrophobicContact CB-CB 4.11Å; L75-A168 HydrophobicContact CD2-CB 4.12Å; Y78-A168 HydrophobicContact CD1-CB 4.29Å; A79-A168 HydrophobicContact CB-CB 4.01Å; G97-A168 CarbonylContact O-C 3.58Å; G97-A168 VanDerWaalsContact O-CA 3.29Å; G97-A168 WeakPolarHBondContact O-CA 3.1Å; L98-A168 HydrophobicContact CD2-CB 3.78Å; I152-A168 CarbonylContact C-O 3Å; I152-A168 WeakPolarHBondContact CA-O 3.42Å; I152-A168 WeakPolarHBondContact CG1-O 3.35Å; G153-A168 PolarHBondContact N-O 3.23Å; G153-A168 PolarHBondContact O-N 3.33Å
169	Y	98.8	Very high	97.1	Very high	9 Å²	9	35.4 Å²	35.4	4%	0.035	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.3	-176.9	-54.7	-100.6	0	0	0	108.7	H52 L68 Y96 G97 Y113 Q143 V144 I152 C167 H171	H52-Y169 AromaticContact CD2-CE1 3.95Å; H52-Y169 AromaticContact NE2-CE1 3.92Å; H52-Y169 AromaticContact NE2-CZ 3.89Å; H52-Y169 PolarHBondContact NE2-OH 2.97Å; L68-Y169 HydrophobicContact CD2-CD1 4.46Å; Y96-Y169 WeakPolarHBondContact CB-O 3.27Å; G97-Y169 PolarHBondContact N-O 3.21Å; G97-Y169 PolarHBondContact O-N 2.95Å; Y113-Y169 VanDerWaalsContact CE1-OH 3.32Å; Y113-Y169 WeakPolarHBondContact CE1-OH 3.5Å; Y113-Y169 PolarHBondContact OH-OH 3.44Å; Y113-Y169 VanDerWaalsContact OH-OH 3.11Å; Q143-Y169 HydrophobicContact CG-CD2 3.64Å; Q143-Y169 HydrophobicContact CG-CE2 3.66Å; Q143-Y169 HydrophobicContact CG-CG 4.37Å; V144-Y169 WeakPolarHBondContact CG2-OH 3.42Å; I152-Y169 HydrophobicContact CD1-CD1 4.03Å; I152-Y169 HydrophobicContact CD1-CE1 3.5Å; I152-Y169 HydrophobicContact CG1-CD1 4.12Å; I152-Y169 HydrophobicContact CG1-CE1 4.06Å; C167-Y169 HydrophobicContact CB-CE2 3.69Å; C167-Y169 WeakPolarHBondContact O-CD2 3.06Å; C167-Y169 VanDerWaalsContact O-CE2 3.28Å; C167-Y169 WeakPolarHBondContact O-CE2 3.29Å; Y169-H171 PolarHBondContact O-N 3.2Å
170	T	98.5	Very high	97.2	Very high	46 Å²	46	34.6 Å²	34.6	28%	0.282	19%	0.193	S	C	.	.	S	Bend	trans	-54.7	-38.2	175.7	-47.4	0	0	0	0	112.2	D150 E151	D150-T170 HydrophobicContact CB-CG2 4.12Å; E151-T170 WeakPolarHBondContact CB-OG1 3.41Å; E151-T170 PolarHBondContact N-OG1 2.73Å; E151-T170 PolarHBondContact O-N 3.02Å; E151-T170 VanDerWaalsContact O-N 3.15Å; E151-T170 PolarHBondContact O-OG1 3.23Å
171	H	98.2	Very high	97.2	Very high	29 Å²	29	36.9 Å²	36.9	13%	0.134	20%	0.2	C	C	.	.	S	Bend	trans	-108.9	137.5	-177.8	-59.1	-69.9	0	0	0	112.6	Q143 K148 D150 Y169	Q143-H171 PolarHBondContact NE2-O 3.47Å; K148-H171 HydrophobicContact CB-CB 4.35Å; K148-H171 WeakPolarHBondContact CD-ND1 2.98Å; K148-H171 WeakPolarHBondContact CE-CE1 3.41Å; K148-H171 WeakPolarHBondContact CE-ND1 3.04Å; K148-H171 PolarHBondContact NZ-CE1 3.07Å; K148-H171 VanDerWaalsContact NZ-CE1 3.27Å; K148-H171 PolarHBondContact NZ-ND1 2.63Å; K148-H171 WeakPolarHBondContact O-CB 2.99Å; D150-H171 IonicContact OD2-CD2 3.79Å; D150-H171 IonicContact OD2-CE1 3.4Å; D150-H171 PolarHBondContact OD2-CE1 3.47Å; D150-H171 IonicContact OD2-NE2 2.66Å; D150-H171 PolarHBondContact OD2-NE2 2.73Å; Y169-H171 PolarHBondContact O-N 3.2Å
172	K	98	Very high	97.1	Very high	108 Å²	108	36.5 Å²	36.5	47%	0.47	19%	0.193	S	C	.	.			trans	-84.4	138.6	172.7	-65.6	176.6	-177.2	170.3	0	111	C94 P95 Y96 W146	C94-K172 VanDerWaalsContact O-CE 3.26Å; C94-K172 WeakPolarHBondContact O-CE 3.3Å; C94-K172 PolarHBondContact O-NZ 2.79Å; P95-K172 WeakPolarHBondContact O-CE 3.1Å; Y96-K172 WeakPolarHBondContact O-CE 3.38Å; Y96-K172 WeakPolarHBondContact O-CG 3.29Å; W146-K172 PolarHBondContact NE1-O 3.22Å
173	Q	97.4	Very high	96.9	Very high	38 Å²	38	38.8 Å²	38.8	18%	0.178	20%	0.201	C	C	.	.			trans	-64.7	150.9	164.2	68.4	83.2	18.9	0	0	111.8	R142 Q143 W146 P175	R142-Q173 HydrophobicContact CB-CB 4.15Å; R142-Q173 HydrophobicContact CB-CG 4.03Å; Q143-Q173 HydrophobicContact CB-CB 4.49Å; Q143-Q173 HydrophobicContact CB-CG 4.08Å; W146-Q173 HydrophobicContact CB-CB 4.19Å; W146-Q173 HydrophobicContact CD2-CB 3.99Å; W146-Q173 HydrophobicContact CE3-CB 3.77Å; W146-Q173 HydrophobicContact CG-CB 4.15Å; Q173-P175 VanDerWaalsContact OE1-CA 3.28Å
174	N	96.6	Very high	96.2	Very high	69 Å²	69	43.6 Å²	43.6	37%	0.369	23%	0.232	S	C	.	.			trans	-104.8	114.1	169.7	178.4	2.4	0	0	0	109.5	W146 N176 A177	W146-N174 HydrophobicContact CH2-CB 3.55Å; W146-N174 HydrophobicContact CZ2-CB 4.1Å; W146-N174 HydrophobicContact CZ3-CB 4.08Å; N174-N176 PolarHBondContact O-N 2.94Å; N174-N176 VanDerWaalsContact O-N 3.08Å; N174-N176 WeakPolarHBondContact OD1-CB 3.46Å; N174-N176 PolarHBondContact OD1-N 3.32Å; N174-A177 HydrophobicContact CB-CB 4.21Å; N174-A177 PolarHBondContact O-N 2.04Å; N174-A177 VanDerWaalsContact O-O 3.11Å
175	P	94.1	Very high	95.4	Very high	62 Å²	62	49.8 Å²	49.8	40%	0.403	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.3	-176.1	25.5	-34.5	0	0	0	112.6	N130 Q173 A177	N130-P175 PolarHBondContact ND2-O 2.03Å; Q173-P175 VanDerWaalsContact OE1-CA 3.28Å; P175-A177 VanDerWaalsContact C-N 3.35Å
176	N	96.1	Very high	93.9	Very high	141 Å²	141	59.9 Å²	59.9	75%	0.754	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	4.5	180	-57.2	-46.7	0	0	0	113.4	N130 N174	N130-N176 PolarHBondContact ND2-O 2.77Å; N174-N176 PolarHBondContact O-N 2.94Å; N174-N176 VanDerWaalsContact O-N 3.08Å; N174-N176 WeakPolarHBondContact OD1-CB 3.46Å; N174-N176 PolarHBondContact OD1-N 3.32Å
177	A	97.2	Very high	92.8	Very high	31 Å²	31	60.6 Å²	60.6	26%	0.256	31%	0.312	S	S	.	.	S	Bend	trans	-129.6	154.8	176.3	0	0	0	0	0	111.6	N130 W146 N174 P175	N130-A177 WeakPolarHBondContact ND2-CA 3.14Å; N130-A177 PolarHBondContact ND2-N 3.02Å; N130-A177 VanDerWaalsContact ND2-N 3.15Å; N130-A177 PolarHBondContact ND2-O 2.82Å; N130-A177 PolarHBondContact OD1-O 3.46Å; W146-A177 HydrophobicContact CH2-CB 4.15Å; W146-A177 HydrophobicContact CZ3-CB 4.43Å; N174-A177 HydrophobicContact CB-CB 4.21Å; N174-A177 PolarHBondContact O-N 2.04Å; N174-A177 VanDerWaalsContact O-O 3.11Å; P175-A177 VanDerWaalsContact C-N 3.35Å
178	V	97.1	Very high	92.1	Very high	46 Å²	46	65.3 Å²	65.3	28%	0.279	33%	0.334	S	S	.	.			trans	-62.9	142.7	168.7	-66.2	0	0	0	0	110.1	Y127 N130 F180	Y127-V178 HydrophobicContact CD2-CB 4.4Å; Y127-V178 HydrophobicContact CD2-CG1 4.32Å; Y127-V178 HydrophobicContact CE1-CG1 4.35Å; Y127-V178 HydrophobicContact CE2-CB 3.85Å; Y127-V178 HydrophobicContact CE2-CG1 4.11Å; Y127-V178 HydrophobicContact CE2-CG2 4.22Å; Y127-V178 VanDerWaalsContact O-CG1 3.29Å; Y127-V178 WeakPolarHBondContact O-CG1 3.22Å; N130-V178 HydrophobicContact CB-CG1 3.94Å; V178-F180 VanDerWaalsContact C-N 3.31Å; V178-F180 WeakPolarHBondContact CG2-O 3.05Å; V178-F180 PolarHBondContact O-N 2.99Å
179	P	97.4	Very high	91.9	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.34	C	S	.	.	S	Bend	trans	-70	-28.6	-172.1	24.7	-32.8	0	0	0	113.4	Y125 F141 W146 Y147	Y125-P179 HydrophobicContact CE1-CG 4.28Å; Y125-P179 WeakPolarHBondContact OH-CD 3.47Å; F141-P179 HydrophobicContact CE1-CG 3.89Å; F141-P179 HydrophobicContact CZ-CG 4.26Å; W146-P179 CarbonylContact C-O 3.57Å; W146-P179 HydrophobicContact CE3-CB 4.12Å; Y147-P179 WeakPolarHBondContact CB-O 3.45Å; Y147-P179 PolarHBondContact N-O 3.41Å
180	F	96.8	Very high	91.7	Very high	3 Å²	3	70 Å²	70	1%	0.013	36%	0.36	C	S	.	.	S	Bend	trans	-148	169	178.4	52.5	-89	0	0	0	109.7	M59 Q62 M65 Y127 F141 F145 V178 Q182	M59-F180 HydrophobicContact CG-CE1 3.72Å; M59-F180 HydrophobicContact CG-CE2 3.74Å; M59-F180 HydrophobicContact CG-CZ 3.22Å; M59-F180 HydrophobicContact SD-CE1 4.43Å; M59-F180 HydrophobicContact SD-CZ 3.95Å; Q62-F180 HydrophobicContact CB-CD2 3.74Å; Q62-F180 HydrophobicContact CB-CE2 4.06Å; Q62-F180 HydrophobicContact CB-CG 4.41Å; M65-F180 HydrophobicContact CE-CB 3.71Å; M65-F180 HydrophobicContact CE-CD1 3.45Å; M65-F180 VanDerWaalsContact CE-CD1 3.45Å; M65-F180 HydrophobicContact CE-CD2 4.37Å; M65-F180 HydrophobicContact CE-CE1 4.15Å; M65-F180 HydrophobicContact CE-CG 3.6Å; M65-F180 HydrophobicContact SD-CB 4.48Å; Y127-F180 HydrophobicContact CE2-CD2 4.43Å; Y127-F180 HydrophobicContact CE2-CE2 4.38Å; Y127-F180 WeakPolarHBondContact CE2-O 3.35Å; Y127-F180 PolarHBondContact OH-O 3.28Å; F141-F180 HydrophobicContact CZ-CE1 4.04Å; F145-F180 HydrophobicContact CB-CD1 4.13Å; F145-F180 HydrophobicContact CB-CE1 4.05Å; F145-F180 WeakPolarHBondContact O-CD1 2.98Å; V178-F180 VanDerWaalsContact C-N 3.31Å; V178-F180 WeakPolarHBondContact CG2-O 3.05Å; V178-F180 PolarHBondContact O-N 2.99Å; F180-Q182 HydrophobicContact CD2-CG 3.99Å; F180-Q182 HydrophobicContact CE2-CG 3.52Å
181	I	95.3	Very high	91.5	Very high	67 Å²	67	72.8 Å²	72.8	34%	0.344	37%	0.369	S	S	.	.			trans	-87.1	129.8	173.7	-60.5	172.3	0	0	0	108.3	V63 N64 Y127 F191	V63-I181 HydrophobicContact CG2-CB 3.91Å; V63-I181 HydrophobicContact CG2-CG2 3.68Å; V63-I181 WeakPolarHBondContact CG2-O 3.24Å; V63-I181 PolarHBondContact N-O 3.15Å; N64-I181 HydrophobicContact CB-CD1 4.42Å; N64-I181 PolarHBondContact OD1-N 3.46Å; Y127-I181 WeakPolarHBondContact OH-CA 3.45Å; I181-F191 HydrophobicContact CB-CD2 4.47Å; I181-F191 HydrophobicContact CD1-CD2 4.13Å; I181-F191 HydrophobicContact CG2-CD2 3.96Å; I181-F191 HydrophobicContact CG2-CE2 4.02Å
182	Q	93	Very high	91.4	Very high	66 Å²	66	73 Å²	73	31%	0.308	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-98.2	133.6	167.1	-75.1	-175.8	2.3	0	0	111.5	N61 Y127 F180	N61-Q182 HydrophobicContact CB-CB 4.21Å; N61-Q182 HydrophobicContact CB-CG 4.22Å; N61-Q182 CarbonylContact O-C 2.95Å; N61-Q182 WeakPolarHBondContact O-CA 3.41Å; Y127-Q182 HydrophobicContact CD1-CB 4.43Å; Y127-Q182 HydrophobicContact CD2-CB 4.45Å; Y127-Q182 VanDerWaalsContact CD2-CD 3.4Å; Y127-Q182 HydrophobicContact CD2-CG 3.77Å; Y127-Q182 HydrophobicContact CE1-CB 3.95Å; Y127-Q182 HydrophobicContact CE1-CG 4.31Å; Y127-Q182 HydrophobicContact CE2-CB 3.96Å; Y127-Q182 HydrophobicContact CE2-CG 3.5Å; Y127-Q182 HydrophobicContact CG-CG 4.27Å; Y127-Q182 PolarHBondContact OH-N 3.16Å; F180-Q182 HydrophobicContact CD2-CG 3.99Å; F180-Q182 HydrophobicContact CE2-CG 3.52Å
183	Y	91.7	Very high	91.3	Very high	98 Å²	98	71.6 Å²	71.6	38%	0.384	37%	0.368	S	S	.	.			trans	-136.2	115.5	169	-165.5	-116.8	0	0	0	109.2	N61 E185 L190	N61-Y183 PolarHBondContact O-N 3.38Å; Y183-E185 VanDerWaalsContact C-N 3.31Å; Y183-E185 HydrophobicContact CD1-CB 4.05Å; Y183-E185 WeakPolarHBondContact CD1-O 3.4Å; Y183-E185 HydrophobicContact CE1-CB 3.57Å; Y183-E185 HydrophobicContact CE1-CG 4.43Å; Y183-E185 PolarHBondContact O-N 3.45Å; Y183-E185 PolarHBondContact OH-OE2 3.34Å; Y183-L190 HydrophobicContact CD1-CD1 3.75Å; Y183-L190 HydrophobicContact CE1-CD1 4.21Å
184	P	82.9	Confident	91.2	Very high	102 Å²	102	79.1 Å²	79.1	66%	0.662	40%	0.4	S	S	*	.	S	Bend	trans	-67.6	-26.2	-175.6	-23.6	34.1	0	0	0	114.7
185	E	79.8	Confident	91.1	Very high	131 Å²	131	84.3 Å²	84.3	61%	0.612	42%	0.42	S	S	*	.	S	Bend	trans	-80.1	134.8	177.8	-61.5	-179.6	-171.5	0	0	109.4	Y183 G187	Y183-E185 VanDerWaalsContact C-N 3.31Å; Y183-E185 HydrophobicContact CD1-CB 4.05Å; Y183-E185 WeakPolarHBondContact CD1-O 3.4Å; Y183-E185 HydrophobicContact CE1-CB 3.57Å; Y183-E185 HydrophobicContact CE1-CG 4.43Å; Y183-E185 PolarHBondContact O-N 3.45Å; Y183-E185 PolarHBondContact OH-OE2 3.34Å; E185-G187 PolarHBondContact O-N 3.15Å
186	K	67.2	Low	91.2	Very high	212 Å²	212	81.5 Å²	81.5	92%	0.922	40%	0.401	S	S	*	.	S	Bend	trans	-52.6	110.6	-169.4	-67.4	-174.9	179.5	-177.1	0	111.8
187	G	74.3	Confident	91.2	Very high	14 Å²	14	78 Å²	78	14%	0.144	39%	0.388	C	S	.	.			trans	-173.3	95.6	156.5	0	0	0	0	0	109.6	V63 E185 L190	V63-G187 WeakPolarHBondContact CB-O 3.01Å; V63-G187 WeakPolarHBondContact CG1-O 3.41Å; E185-G187 PolarHBondContact O-N 3.15Å; G187-L190 VanDerWaalsContact O-CD1 3.26Å; G187-L190 WeakPolarHBondContact O-CD1 3.5Å; G187-L190 WeakPolarHBondContact O-CG 3.18Å
188	Q	85.3	Confident	91.2	Very high	100 Å²	100	77.7 Å²	77.7	47%	0.467	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	152.3	162.1	-57	83.2	-6.4	0	0	109	L190 Y203	Q188-L190 PolarHBondContact O-N 2.81Å; Q188-L190 VanDerWaalsContact O-N 3.16Å; Q188-Y203 HydrophobicContact CB-CD1 4.23Å; Q188-Y203 HydrophobicContact CB-CG 4.11Å; Q188-Y203 HydrophobicContact CG-CD1 4.29Å; Q188-Y203 HydrophobicContact CG-CG 3.96Å
189	C	94.3	Very high	91.1	Very high	17 Å²	17	78.5 Å²	78.5	12%	0.115	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	13.6	-179	-55.9	0	0	0	0	116.1	V63 F191 C192 C199 Y203	V63-C189 CarbonylContact O-C 3.33Å; V63-C189 WeakPolarHBondContact O-CA 3.49Å; V63-C189 PolarHBondContact O-N 3.35Å; C189-F191 PolarHBondContact O-N 2.97Å; C189-C192 VanDerWaalsContact CA-SG 3.52Å; C189-C192 WeakPolarHBondContact CB-SG 3.48Å; C189-C192 PolarHBondContact O-N 3.18Å; C189-C192 PolarHBondContact O-SG 2.86Å; C189-C199 HydrophobicContact CB-CB 3.49Å; C189-C199 VanDerWaalsContact CB-CB 3.49Å; C189-C199 WeakPolarHBondContact CB-SG 3.39Å; C189-C199 VanDerWaalsContact SG-CA 3.57Å; C189-C199 WeakPolarHBondContact SG-CB 3.21Å; C189-C199 CovalentContact SG-SG 2.04Å; C189-C199 PolarHBondContact SG-SG 3.39Å; C189-Y203 PolarHBondContact SG-O 2.89Å; C189-Y203 VanDerWaalsContact SG-O 3.38Å
190	L	94.2	Very high	91	Very high	89 Å²	89	80.3 Å²	80.3	47%	0.466	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.1	-179.5	-75.4	171.7	0	0	0	113.8	V63 Y183 G187 Q188	V63-L190 HydrophobicContact CB-CB 4.31Å; V63-L190 HydrophobicContact CG1-CD1 4.44Å; V63-L190 PolarHBondContact O-N 2.75Å; V63-L190 VanDerWaalsContact O-N 3.07Å; Y183-L190 HydrophobicContact CD1-CD1 3.75Å; Y183-L190 HydrophobicContact CE1-CD1 4.21Å; G187-L190 VanDerWaalsContact O-CD1 3.26Å; G187-L190 WeakPolarHBondContact O-CD1 3.5Å; G187-L190 WeakPolarHBondContact O-CG 3.18Å; Q188-L190 PolarHBondContact O-N 2.81Å; Q188-L190 VanDerWaalsContact O-N 3.16Å
191	F	94.8	Very high	90.8	Very high	105 Å²	105	90.1 Å²	90.1	46%	0.461	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	36.7	-176.9	-53.7	-55.6	0	0	0	112.3	V63 N64 I181 C189 Q193	V63-F191 HydrophobicContact CB-CD2 4.32Å; V63-F191 HydrophobicContact CG2-CD2 3.41Å; V63-F191 VanDerWaalsContact CG2-CD2 3.41Å; V63-F191 HydrophobicContact CG2-CE2 3.74Å; V63-F191 PolarHBondContact O-N 3.28Å; V63-F191 VanDerWaalsContact O-N 3.07Å; N64-F191 HydrophobicContact CB-CB 3.87Å; I181-F191 HydrophobicContact CB-CD2 4.47Å; I181-F191 HydrophobicContact CD1-CD2 4.13Å; I181-F191 HydrophobicContact CG2-CD2 3.96Å; I181-F191 HydrophobicContact CG2-CE2 4.02Å; C189-F191 PolarHBondContact O-N 2.97Å; F191-Q193 PolarHBondContact O-N 2.63Å
192	C	96.2	Very high	90.8	Very high	33 Å²	33	89 Å²	89	22%	0.223	43%	0.434	C	S	.	.			trans	-60.1	136.4	170.6	-67.3	0	0	0	0	111.8	C189 K196 C205	C189-C192 VanDerWaalsContact CA-SG 3.52Å; C189-C192 WeakPolarHBondContact CB-SG 3.48Å; C189-C192 PolarHBondContact O-N 3.18Å; C189-C192 PolarHBondContact O-SG 2.86Å; C192-K196 WeakPolarHBondContact CB-O 3.14Å; C192-C205 WeakPolarHBondContact CA-SG 3.45Å; C192-C205 HydrophobicContact CB-CB 3.72Å; C192-C205 WeakPolarHBondContact CB-SG 3.03Å; C192-C205 WeakPolarHBondContact SG-CA 3.46Å; C192-C205 WeakPolarHBondContact SG-CB 3.48Å; C192-C205 CovalentContact SG-SG 2.03Å; C192-C205 PolarHBondContact SG-SG 3.07Å
193	Q	95.5	Very high	90.9	Very high	79 Å²	79	91.3 Å²	91.3	37%	0.369	44%	0.44	S	S	.	.			trans	-78.7	151.3	177.4	-66.6	-175.8	-14.9	0	0	110.2	Q66 F191 K195 K196 S197	Q66-Q193 VanDerWaalsContact NE2-OE1 3.17Å; F191-Q193 PolarHBondContact O-N 2.63Å; Q193-K195 PolarHBondContact O-N 3.41Å; Q193-K196 CarbonylContact O-C 3.02Å; Q193-K196 PolarHBondContact O-N 2.97Å; Q193-K196 VanDerWaalsContact O-O 3.11Å; Q193-S197 PolarHBondContact O-N 2.87Å
194	K	94.4	Very high	91.1	Very high	196 Å²	196	86.7 Å²	86.7	85%	0.852	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-50.6	-34.9	-179.6	-173.9	178.4	179.7	-179.1	0	114.3
195	K	95.3	Very high	91.9	Very high	179 Å²	179	81.9 Å²	81.9	78%	0.778	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-72	-28.7	179.3	-71.6	-170.3	175.5	-170	0	113.6	Q193 P208	Q193-K195 PolarHBondContact O-N 3.41Å; K195-P208 VanDerWaalsContact O-CD 3.25Å; K195-P208 WeakPolarHBondContact O-CD 3.26Å
196	K	97.4	Very high	92.7	Very high	3 Å²	3	76.4 Å²	76.4	1%	0.013	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-128.6	66.5	177.8	-73.1	-165	-176.8	-66	0	108.7	Q66 S69 A149 D150 C192 Q193 C205 C206 D207	Q66-K196 HydrophobicContact CB-CD 3.85Å; Q66-K196 HydrophobicContact CG-CB 4.4Å; Q66-K196 HydrophobicContact CG-CD 3.96Å; S69-K196 PolarHBondContact OG-NZ 2.89Å; A149-K196 WeakPolarHBondContact O-CE 3.16Å; D150-K196 WeakPolarHBondContact OD1-CE 2.94Å; D150-K196 IonicContact OD1-NZ 3.54Å; D150-K196 PolarHBondContact OD1-NZ 2.9Å; C192-K196 WeakPolarHBondContact CB-O 3.14Å; Q193-K196 CarbonylContact O-C 3.02Å; Q193-K196 PolarHBondContact O-N 2.97Å; Q193-K196 VanDerWaalsContact O-O 3.11Å; K196-C205 HydrophobicContact CB-CB 4.43Å; K196-C205 WeakPolarHBondContact O-CB 3.26Å; K196-C206 CarbonylContact C-O 3.58Å; K196-C206 WeakPolarHBondContact CA-O 3.06Å; K196-D207 WeakPolarHBondContact CG-OD1 3.28Å; K196-D207 VanDerWaalsContact NZ-CG 3.26Å; K196-D207 IonicContact NZ-OD1 2.79Å; K196-D207 PolarHBondContact NZ-OD1 3.27Å; K196-D207 IonicContact NZ-OD2 3.41Å; K196-D207 PolarHBondContact NZ-OD2 3.39Å; K196-D207 VanDerWaalsContact NZ-OD2 3.07Å
197	S	95.9	Very high	94.1	Very high	67 Å²	67	69.7 Å²	69.7	47%	0.469	34%	0.341	S	S	.	.			trans	-94.1	-8.5	-169.8	62.5	0	0	0	0	114.3	Q193 C206	Q193-S197 PolarHBondContact O-N 2.87Å; S197-C206 PolarHBondContact N-O 3.41Å; S197-C206 VanDerWaalsContact N-O 3.16Å
198	S	96.6	Very high	94.8	Very high	24 Å²	24	72.4 Å²	72.4	17%	0.168	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	135.2	176.6	-165.1	0	0	0	0	109.5	C205 C206 D207 H209	S198-C205 CarbonylContact O-C 3.59Å; S198-C205 WeakPolarHBondContact O-CA 3.46Å; S198-C206 PolarHBondContact N-O 2.03Å; S198-C206 PolarHBondContact O-N 3.24Å; S198-D207 WeakPolarHBondContact CB-O 3.25Å; S198-H209 PolarHBondContact OG-NE2 3.02Å
199	C	95.8	Very high	94.4	Very high	63 Å²	63	79 Å²	79	43%	0.426	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	114.6	171.5	-170.3	0	0	0	0	108.6	C189 L204	C189-C199 HydrophobicContact CB-CB 3.49Å; C189-C199 VanDerWaalsContact CB-CB 3.49Å; C189-C199 WeakPolarHBondContact CB-SG 3.39Å; C189-C199 VanDerWaalsContact SG-CA 3.57Å; C189-C199 WeakPolarHBondContact SG-CB 3.21Å; C189-C199 CovalentContact SG-SG 2.04Å; C189-C199 PolarHBondContact SG-SG 3.39Å; C199-L204 WeakPolarHBondContact CA-O 3.43Å
200	D	95	Very high	94.4	Very high	39 Å²	39	82.2 Å²	82.2	21%	0.209	40%	0.4	C	S	.	.			trans	-80.7	-179.8	-178.1	89.7	-27.4	0	0	0	112.7	N202 Y203 L204 C206	D200-N202 VanDerWaalsContact CG-N 3.34Å; D200-N202 PolarHBondContact O-N 3.33Å; D200-N202 VanDerWaalsContact OD1-C 3.28Å; D200-N202 WeakPolarHBondContact OD1-CA 3.26Å; D200-N202 WeakPolarHBondContact OD1-CB 3.21Å; D200-N202 PolarHBondContact OD1-N 3.15Å; D200-N202 PolarHBondContact OD2-N 3.47Å; D200-N202 PolarHBondContact OD2-ND2 2.79Å; D200-Y203 PolarHBondContact O-N 3.06Å; D200-Y203 PolarHBondContact OD1-N 3.16Å; D200-L204 PolarHBondContact N-O 3.04Å; D200-L204 WeakPolarHBondContact OD1-CA 3.48Å; D200-L204 WeakPolarHBondContact OD1-CB 3.35Å; D200-L204 PolarHBondContact OD1-N 3.08Å; D200-C206 HydrophobicContact CB-CB 4.39Å
201	Y	92.5	Very high	94.5	Very high	208 Å²	208	81.8 Å²	81.8	82%	0.816	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.9	177.8	-178.2	-96	0	0	0	113.6	Y203	Y201-Y203 PolarHBondContact O-N 3.21Å
202	N	93.8	Very high	94.4	Very high	45 Å²	45	80.5 Å²	80.5	24%	0.241	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	7.3	173.5	-56.7	-65.9	0	0	0	112.4	G57 D200 L204	G57-N202 WeakPolarHBondContact CA-O 3.35Å; D200-N202 VanDerWaalsContact CG-N 3.34Å; D200-N202 PolarHBondContact O-N 3.33Å; D200-N202 VanDerWaalsContact OD1-C 3.28Å; D200-N202 WeakPolarHBondContact OD1-CA 3.26Å; D200-N202 WeakPolarHBondContact OD1-CB 3.21Å; D200-N202 PolarHBondContact OD1-N 3.15Å; D200-N202 PolarHBondContact OD2-N 3.47Å; D200-N202 PolarHBondContact OD2-ND2 2.79Å; N202-L204 VanDerWaalsContact C-N 3.29Å; N202-L204 HydrophobicContact CB-CD1 4.01Å; N202-L204 HydrophobicContact CB-CG 4.07Å; N202-L204 PolarHBondContact O-N 3.03Å
203	Y	95.1	Very high	94.3	Very high	114 Å²	114	83.3 Å²	83.3	45%	0.447	40%	0.403	S	S	.	.	S	Bend	trans	62.7	35.1	-176.9	-45.2	-71.3	0	0	0	114	Q62 Q188 C189 D200 Y201	Q62-Y203 PolarHBondContact NE2-O 2.99Å; Q188-Y203 HydrophobicContact CB-CD1 4.23Å; Q188-Y203 HydrophobicContact CB-CG 4.11Å; Q188-Y203 HydrophobicContact CG-CD1 4.29Å; Q188-Y203 HydrophobicContact CG-CG 3.96Å; C189-Y203 PolarHBondContact SG-O 2.89Å; C189-Y203 VanDerWaalsContact SG-O 3.38Å; D200-Y203 PolarHBondContact O-N 3.06Å; D200-Y203 PolarHBondContact OD1-N 3.16Å; Y201-Y203 PolarHBondContact O-N 3.21Å
204	L	97.6	Very high	94.3	Very high	0 Å²	0	83.6 Å²	83.6	0%	0	41%	0.405	C	S	.	.			trans	-105.4	148.4	176.7	-61.4	173.8	0	0	0	111.2	N53 R56 M65 C67 C199 D200 N202 C206	N53-L204 HydrophobicContact CB-CD1 3.77Å; N53-L204 WeakPolarHBondContact O-CD1 3.33Å; R56-L204 HydrophobicContact CB-CD1 4.43Å; R56-L204 HydrophobicContact CB-CD2 3.96Å; M65-L204 HydrophobicContact CB-CD2 3.67Å; M65-L204 HydrophobicContact CG-CD2 3.51Å; M65-L204 CarbonylContact O-C 3.58Å; M65-L204 WeakPolarHBondContact O-CA 3.17Å; C67-L204 HydrophobicContact CB-CB 3.89Å; C67-L204 HydrophobicContact CB-CD1 3.75Å; C67-L204 HydrophobicContact CB-CG 4.47Å; C199-L204 WeakPolarHBondContact CA-O 3.43Å; D200-L204 PolarHBondContact N-O 3.04Å; D200-L204 WeakPolarHBondContact OD1-CA 3.48Å; D200-L204 WeakPolarHBondContact OD1-CB 3.35Å; D200-L204 PolarHBondContact OD1-N 3.08Å; N202-L204 VanDerWaalsContact C-N 3.29Å; N202-L204 HydrophobicContact CB-CD1 4.01Å; N202-L204 HydrophobicContact CB-CG 4.07Å; N202-L204 PolarHBondContact O-N 3.03Å; L204-C206 PolarHBondContact O-N 3.27Å
205	C	98	Very high	94.3	Very high	1 Å²	1	76.1 Å²	76.1	1%	0.007	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	106.9	170.4	-59.6	0	0	0	0	109.9	M65 Q66 C67 C192 K196 S198	M65-C205 PolarHBondContact O-N 3.4Å; Q66-C205 CarbonylContact C-O 3.6Å; Q66-C205 WeakPolarHBondContact CA-O 3.25Å; Q66-C205 WeakPolarHBondContact CB-O 3.42Å; Q66-C205 HydrophobicContact CG-CB 3.97Å; C67-C205 PolarHBondContact N-O 2.66Å; C192-C205 WeakPolarHBondContact CA-SG 3.45Å; C192-C205 HydrophobicContact CB-CB 3.72Å; C192-C205 WeakPolarHBondContact CB-SG 3.03Å; C192-C205 WeakPolarHBondContact SG-CA 3.46Å; C192-C205 WeakPolarHBondContact SG-CB 3.48Å; C192-C205 CovalentContact SG-SG 2.03Å; C192-C205 PolarHBondContact SG-SG 3.07Å; K196-C205 HydrophobicContact CB-CB 4.43Å; K196-C205 WeakPolarHBondContact O-CB 3.26Å; S198-C205 CarbonylContact O-C 3.59Å; S198-C205 WeakPolarHBondContact O-CA 3.46Å
206	C	98.1	Very high	94.2	Very high	17 Å²	17	68.7 Å²	68.7	12%	0.115	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	167.7	-177	-71.2	0	0	0	0	113	C67 K196 S197 S198 D200 L204	C67-C206 HydrophobicContact CB-CB 4.41Å; C67-C206 WeakPolarHBondContact CB-SG 3.38Å; C67-C206 WeakPolarHBondContact SG-CA 3.42Å; C67-C206 WeakPolarHBondContact SG-CB 3.35Å; C67-C206 CovalentContact SG-SG 2.03Å; C67-C206 PolarHBondContact SG-SG 3.49Å; K196-C206 CarbonylContact C-O 3.58Å; K196-C206 WeakPolarHBondContact CA-O 3.06Å; S197-C206 PolarHBondContact N-O 3.41Å; S197-C206 VanDerWaalsContact N-O 3.16Å; S198-C206 PolarHBondContact N-O 2.03Å; S198-C206 PolarHBondContact O-N 3.24Å; D200-C206 HydrophobicContact CB-CB 4.39Å; L204-C206 PolarHBondContact O-N 3.27Å
207	D	95.9	Very high	93.9	Very high	71 Å²	71	73.8 Å²	73.8	38%	0.38	37%	0.373	S	S	.	.			trans	-53.6	140.6	175.7	-59.4	-46.2	0	0	0	110.2	S69 K196 S198	S69-D207 PolarHBondContact OG-OD2 3.07Å; K196-D207 WeakPolarHBondContact CG-OD1 3.28Å; K196-D207 VanDerWaalsContact NZ-CG 3.26Å; K196-D207 IonicContact NZ-OD1 2.79Å; K196-D207 PolarHBondContact NZ-OD1 3.27Å; K196-D207 IonicContact NZ-OD2 3.41Å; K196-D207 PolarHBondContact NZ-OD2 3.39Å; K196-D207 VanDerWaalsContact NZ-OD2 3.07Å; S198-D207 WeakPolarHBondContact CB-O 3.25Å
208	P	90.2	Very high	93.8	Very high	71 Å²	71	74.3 Å²	74.3	46%	0.461	37%	0.365	S	S	.	.			trans	-56.2	142	172.8	-20.5	30.3	0	0	0	110.9	K195	K195-P208 VanDerWaalsContact O-CD 3.25Å; K195-P208 WeakPolarHBondContact O-CD 3.26Å
209	H	76.7	Confident	93.5	Very high	239 Å²	239	78.9 Å²	78.9	100%	1.106	38%	0.382	S	S	*	.			trans	-68.6	0	168.4	-61.4	-60.4	0	0	0	111.9	S198	S198-H209 PolarHBondContact OG-NE2 3.02Å

Retrieved 209 of 209 residues in 536.8 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).