A0A077ZJ01_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJ01, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 243 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	35.7	Very low	31.8	Very low	246 Å²	246	174.6 Å²	174.6	100%	1.212	84%	0.841	S	S	*	*				0	96.4	0	-90.5	165.4	162.5	0	0	107.1
2	Q	32.1	Very low	32	Very low	189 Å²	189	169.8 Å²	169.8	88%	0.883	82%	0.817	S	S	*	*			trans	-135.6	152.1	-167.7	-84.9	-178.5	-12.8	0	0	109.4
3	P	31.1	Very low	32.8	Very low	120 Å²	120	158.9 Å²	158.9	78%	0.779	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-79.4	146	-156.6	31.6	-31.9	0	0	0	112.6	D5	P3-D5 PolarHBondContact O-N 2.7Å
4	K	32.3	Very low	33.3	Very low	215 Å²	215	152.6 Å²	152.6	94%	0.935	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-67.1	116.7	174.4	-79.7	-178.7	175.6	179.8	0	109.5
5	D	32.5	Very low	33.9	Very low	146 Å²	146	147.7 Å²	147.7	78%	0.781	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-83.2	152.3	-175.4	-143.5	-14.1	0	0	0	112.5	P3	P3-D5 PolarHBondContact O-N 2.7Å
6	I	31	Very low	34.3	Very low	148 Å²	148	151.1 Å²	151.1	76%	0.759	72%	0.724	S	S	*	*	S	Bend	trans	-72.8	116.2	-168.7	-66	153.3	0	0	0	110.6
7	R	28	Very low	35.2	Very low	227 Å²	227	147.7 Å²	147.7	86%	0.857	71%	0.71	S	S	*	*			trans	172.2	123.2	156.9	-102.4	173.2	-87.8	-168.4	-3.4	108.8
8	Q	30.4	Very low	36.2	Very low	193 Å²	193	148.6 Å²	148.6	90%	0.902	72%	0.719	S	S	*	*			trans	126.6	79.5	163.9	-69.7	176.5	20.8	0	0	114.5
9	Q	31	Very low	37.4	Very low	192 Å²	192	144.8 Å²	144.8	90%	0.897	72%	0.723	S	S	*	*			trans	-140.9	88.1	147.3	-76.8	-169.1	-15.6	0	0	107.9
10	G	34	Very low	37.4	Very low	49 Å²	49	146.8 Å²	146.8	51%	0.505	72%	0.721	S	S	.	*			trans	-73.4	157	163.8	0	0	0	0	0	110	H25	G10-H25 PolarHBondContact O-CE1 3.15Å; G10-H25 PolarHBondContact O-ND1 3.26Å
11	W	32.2	Very low	37.5	Very low	196 Å²	196	143.4 Å²	143.4	74%	0.742	71%	0.712	S	S	*	*			trans	-95.8	124.3	-167.1	-76.5	93	0	0	0	114.2	H25 V26	W11-H25 WeakPolarHBondContact CA-ND1 3.46Å; W11-H25 PolarHBondContact N-ND1 3.47Å; W11-H25 CarbonylContact O-C 3.57Å; W11-H25 VanDerWaalsContact O-C 3.26Å; W11-H25 WeakPolarHBondContact O-CA 3.29Å; W11-H25 WeakPolarHBondContact O-CB 3.35Å; W11-H25 PolarHBondContact O-ND1 3.4Å; W11-H25 VanDerWaalsContact O-ND1 3.08Å; W11-V26 PolarHBondContact O-N 2.88Å
12	Q	33.4	Very low	37.5	Very low	117 Å²	117	137.5 Å²	137.5	55%	0.547	68%	0.677	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.6	108.3	-169.5	-138.1	159.7	14.8	0	0	110.4	E23 H25	Q12-E23 HydrophobicContact CG-CB 4.12Å; Q12-E23 HydrophobicContact CG-CG 4.43Å; Q12-H25 VanDerWaalsContact CA-ND1 3.3Å; Q12-H25 WeakPolarHBondContact CA-ND1 3.01Å; Q12-H25 WeakPolarHBondContact CB-CE1 3.48Å; Q12-H25 WeakPolarHBondContact CB-ND1 3.49Å; Q12-H25 VanDerWaalsContact CD-CE1 3.45Å; Q12-H25 VanDerWaalsContact CG-CD2 3.44Å; Q12-H25 WeakPolarHBondContact CG-CD2 3.43Å; Q12-H25 WeakPolarHBondContact CG-CE1 3.23Å; Q12-H25 WeakPolarHBondContact CG-NE2 3.44Å; Q12-H25 PolarHBondContact N-ND1 2.73Å; Q12-H25 PolarHBondContact NE2-NE2 3.42Å; Q12-H25 VanDerWaalsContact NE2-NE2 3.18Å
13	E	42.7	Very low	37.6	Very low	28 Å²	28	135.3 Å²	135.3	13%	0.131	67%	0.667	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.2	171.2	166.6	-66.6	-166.8	150.5	0	0	111	E23 Y24 V26 P220 F221	E13-E23 CarbonylContact O-C 3.25Å; E13-E23 VanDerWaalsContact O-C 3.23Å; E13-E23 WeakPolarHBondContact O-CA 3.12Å; E13-Y24 CarbonylContact C-O 3.54Å; E13-Y24 VanDerWaalsContact CA-O 3.29Å; E13-Y24 WeakPolarHBondContact CA-O 3.46Å; E13-Y24 HydrophobicContact CB-CD1 4Å; E13-Y24 HydrophobicContact CB-CD2 4.11Å; E13-Y24 HydrophobicContact CB-CE1 3.53Å; E13-Y24 HydrophobicContact CB-CE2 3.77Å; E13-Y24 HydrophobicContact CB-CG 4.26Å; E13-Y24 VanDerWaalsContact CB-CZ 3.47Å; E13-Y24 WeakPolarHBondContact CB-O 3.5Å; E13-Y24 HydrophobicContact CG-CE2 4.48Å; E13-Y24 PolarHBondContact N-O 3.07Å; E13-Y24 CarbonylContact O-C 3.46Å; E13-Y24 PolarHBondContact O-N 3.31Å; E13-Y24 WeakPolarHBondContact OE2-CE2 3.4Å; E13-Y24 PolarHBondContact OE2-OH 3.16Å; E13-V26 HydrophobicContact CG-CG2 4.27Å; E13-V26 VanDerWaalsContact OE2-CG2 3.25Å; E13-V26 WeakPolarHBondContact OE2-CG2 3.13Å; E13-P220 VanDerWaalsContact OE1-CA 3.29Å; E13-P220 WeakPolarHBondContact OE1-CA 3.46Å; E13-F221 VanDerWaalsContact OE1-CD2 3.27Å; E13-F221 WeakPolarHBondContact OE1-CD2 2.94Å; E13-F221 PolarHBondContact OE1-N 3.12Å
14	S	40.1	Very low	37.6	Very low	70 Å²	70	133 Å²	133	49%	0.49	64%	0.644	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.7	137.2	168.6	69.6	0	0	0	0	115.3	Y22	S14-Y22 CarbonylContact C-O 3.53Å; S14-Y22 VanDerWaalsContact C-O 3.25Å; S14-Y22 WeakPolarHBondContact CA-O 3.18Å; S14-Y22 WeakPolarHBondContact CB-O 3.23Å
15	I	42.1	Very low	37.5	Very low	80 Å²	80	127.1 Å²	127.1	41%	0.41	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.3	140.6	176.7	-77.1	148.5	0	0	0	108.5	I17 S21 Y22 Y24	I15-I17 HydrophobicContact CG2-CD1 4.23Å; I15-I17 HydrophobicContact CG2-CG1 3.75Å; I15-S21 CarbonylContact O-C 3.5Å; I15-Y22 PolarHBondContact N-O 3.17Å; I15-Y22 WeakPolarHBondContact O-CB 3.42Å; I15-Y22 WeakPolarHBondContact O-CD2 3.31Å; I15-Y22 PolarHBondContact O-N 3.48Å; I15-Y24 HydrophobicContact CB-CD1 4.43Å; I15-Y24 HydrophobicContact CB-CE1 4.02Å; I15-Y24 HydrophobicContact CD1-CD1 3.88Å; I15-Y24 HydrophobicContact CD1-CE1 3.39Å; I15-Y24 HydrophobicContact CD1-CE2 4.16Å; I15-Y24 VanDerWaalsContact CD1-CZ 3.5Å; I15-Y24 HydrophobicContact CG1-CD1 4.09Å; I15-Y24 HydrophobicContact CG1-CE1 3.33Å
16	R	41	Very low	37.3	Very low	201 Å²	201	122 Å²	122	76%	0.758	59%	0.593	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.1	121.4	169.4	-80.9	-179.1	172.3	162.4	0.5	111.5	R20	R16-R20 VanDerWaalsContact CA-O 3.23Å; R16-R20 WeakPolarHBondContact CA-O 3.15Å
17	I	49.1	Very low	37.2	Very low	94 Å²	94	118.8 Å²	118.8	48%	0.482	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.6	131.5	170	-48.9	-179.3	0	0	0	107.1	I15 G19 R20 Y22	I15-I17 HydrophobicContact CG2-CD1 4.23Å; I15-I17 HydrophobicContact CG2-CG1 3.75Å; I17-G19 VanDerWaalsContact C-N 3.29Å; I17-G19 PolarHBondContact O-N 2.91Å; I17-R20 PolarHBondContact N-O 3.31Å; I17-R20 VanDerWaalsContact N-O 3.09Å; I17-R20 PolarHBondContact O-N 3.01Å; I17-R20 VanDerWaalsContact O-N 3.09Å; I17-Y22 HydrophobicContact CB-CE2 3.97Å; I17-Y22 HydrophobicContact CG1-CD2 4.45Å; I17-Y22 HydrophobicContact CG1-CE2 4.28Å
18	D	52.6	Low	37.3	Very low	164 Å²	164	112.8 Å²	112.8	88%	0.877	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.4	42	179.5	-60.3	-24.6	0	0	0	114.5	R20	D18-R20 PolarHBondContact O-N 3.46Å
19	G	59.1	Low	37.4	Very low	76 Å²	76	108.7 Å²	108.7	78%	0.784	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.3	-0.4	178.2	0	0	0	0	0	115.6	I17	I17-G19 VanDerWaalsContact C-N 3.29Å; I17-G19 PolarHBondContact O-N 2.91Å
20	R	37.7	Very low	37.5	Very low	185 Å²	185	106.3 Å²	106.3	70%	0.698	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.4	132.4	173.2	-71.2	-178.1	176.3	174.2	-0.4	111.2	R16 I17 D18 Y22	R16-R20 VanDerWaalsContact CA-O 3.23Å; R16-R20 WeakPolarHBondContact CA-O 3.15Å; I17-R20 PolarHBondContact N-O 3.31Å; I17-R20 VanDerWaalsContact N-O 3.09Å; I17-R20 PolarHBondContact O-N 3.01Å; I17-R20 VanDerWaalsContact O-N 3.09Å; D18-R20 PolarHBondContact O-N 3.46Å; R20-Y22 HydrophobicContact CB-CE2 4.34Å
21	S	38.8	Very low	37.6	Very low	76 Å²	76	108.8 Å²	108.8	53%	0.531	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.3	126.4	172.6	48.3	0	0	0	0	111.3	I15	I15-S21 CarbonylContact O-C 3.5Å
22	Y	35.7	Very low	37.7	Very low	122 Å²	122	101.8 Å²	101.8	48%	0.478	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.4	176.1	-66.3	-88.1	0	0	0	109.3	S14 I15 I17 R20	S14-Y22 CarbonylContact C-O 3.53Å; S14-Y22 VanDerWaalsContact C-O 3.25Å; S14-Y22 WeakPolarHBondContact CA-O 3.18Å; S14-Y22 WeakPolarHBondContact CB-O 3.23Å; I15-Y22 PolarHBondContact N-O 3.17Å; I15-Y22 WeakPolarHBondContact O-CB 3.42Å; I15-Y22 WeakPolarHBondContact O-CD2 3.31Å; I15-Y22 PolarHBondContact O-N 3.48Å; I17-Y22 HydrophobicContact CB-CE2 3.97Å; I17-Y22 HydrophobicContact CG1-CD2 4.45Å; I17-Y22 HydrophobicContact CG1-CE2 4.28Å; R20-Y22 HydrophobicContact CB-CE2 4.34Å
23	E	34.9	Very low	37.7	Very low	142 Å²	142	100.4 Å²	100.4	66%	0.664	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	118.2	167.4	-85.7	173.2	-178.7	0	0	110.9	Q12 E13	Q12-E23 HydrophobicContact CG-CB 4.12Å; Q12-E23 HydrophobicContact CG-CG 4.43Å; E13-E23 CarbonylContact O-C 3.25Å; E13-E23 VanDerWaalsContact O-C 3.23Å; E13-E23 WeakPolarHBondContact O-CA 3.12Å
24	Y	31	Very low	37.2	Very low	73 Å²	73	103.9 Å²	103.9	29%	0.286	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.1	173.5	64.2	-73.9	0	0	0	110.6	E13 I15 V26	E13-Y24 CarbonylContact C-O 3.54Å; E13-Y24 VanDerWaalsContact CA-O 3.29Å; E13-Y24 WeakPolarHBondContact CA-O 3.46Å; E13-Y24 HydrophobicContact CB-CD1 4Å; E13-Y24 HydrophobicContact CB-CD2 4.11Å; E13-Y24 HydrophobicContact CB-CE1 3.53Å; E13-Y24 HydrophobicContact CB-CE2 3.77Å; E13-Y24 HydrophobicContact CB-CG 4.26Å; E13-Y24 VanDerWaalsContact CB-CZ 3.47Å; E13-Y24 WeakPolarHBondContact CB-O 3.5Å; E13-Y24 HydrophobicContact CG-CE2 4.48Å; E13-Y24 PolarHBondContact N-O 3.07Å; E13-Y24 CarbonylContact O-C 3.46Å; E13-Y24 PolarHBondContact O-N 3.31Å; E13-Y24 WeakPolarHBondContact OE2-CE2 3.4Å; E13-Y24 PolarHBondContact OE2-OH 3.16Å; I15-Y24 HydrophobicContact CB-CD1 4.43Å; I15-Y24 HydrophobicContact CB-CE1 4.02Å; I15-Y24 HydrophobicContact CD1-CD1 3.88Å; I15-Y24 HydrophobicContact CD1-CE1 3.39Å; I15-Y24 HydrophobicContact CD1-CE2 4.16Å; I15-Y24 VanDerWaalsContact CD1-CZ 3.5Å; I15-Y24 HydrophobicContact CG1-CD1 4.09Å; I15-Y24 HydrophobicContact CG1-CE1 3.33Å; Y24-V26 HydrophobicContact CD2-CG2 3.44Å; Y24-V26 VanDerWaalsContact CD2-CG2 3.44Å; Y24-V26 HydrophobicContact CE2-CG2 3.25Å
25	H	29.6	Very low	36.9	Very low	90 Å²	90	102.7 Å²	102.7	42%	0.417	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	127	169.6	-72.5	-93.8	0	0	0	111.2	G10 W11 Q12 P27	G10-H25 PolarHBondContact O-CE1 3.15Å; G10-H25 PolarHBondContact O-ND1 3.26Å; W11-H25 WeakPolarHBondContact CA-ND1 3.46Å; W11-H25 PolarHBondContact N-ND1 3.47Å; W11-H25 CarbonylContact O-C 3.57Å; W11-H25 VanDerWaalsContact O-C 3.26Å; W11-H25 WeakPolarHBondContact O-CA 3.29Å; W11-H25 WeakPolarHBondContact O-CB 3.35Å; W11-H25 PolarHBondContact O-ND1 3.4Å; W11-H25 VanDerWaalsContact O-ND1 3.08Å; Q12-H25 VanDerWaalsContact CA-ND1 3.3Å; Q12-H25 WeakPolarHBondContact CA-ND1 3.01Å; Q12-H25 WeakPolarHBondContact CB-CE1 3.48Å; Q12-H25 WeakPolarHBondContact CB-ND1 3.49Å; Q12-H25 VanDerWaalsContact CD-CE1 3.45Å; Q12-H25 VanDerWaalsContact CG-CD2 3.44Å; Q12-H25 WeakPolarHBondContact CG-CD2 3.43Å; Q12-H25 WeakPolarHBondContact CG-CE1 3.23Å; Q12-H25 WeakPolarHBondContact CG-NE2 3.44Å; Q12-H25 PolarHBondContact N-ND1 2.73Å; Q12-H25 PolarHBondContact NE2-NE2 3.42Å; Q12-H25 VanDerWaalsContact NE2-NE2 3.18Å; H25-P27 WeakPolarHBondContact O-CD 3.01Å
26	V	29.8	Very low	36.2	Very low	38 Å²	38	102 Å²	102	23%	0.23	55%	0.548	C	S	.	.			trans	-97.4	93.1	166.8	-171.3	0	0	0	0	108.1	W11 E13 Y24 F221	W11-V26 PolarHBondContact O-N 2.88Å; E13-V26 HydrophobicContact CG-CG2 4.27Å; E13-V26 VanDerWaalsContact OE2-CG2 3.25Å; E13-V26 WeakPolarHBondContact OE2-CG2 3.13Å; Y24-V26 HydrophobicContact CD2-CG2 3.44Å; Y24-V26 VanDerWaalsContact CD2-CG2 3.44Å; Y24-V26 HydrophobicContact CE2-CG2 3.25Å; V26-F221 HydrophobicContact CB-CD2 4.4Å; V26-F221 HydrophobicContact CG1-CD2 4.26Å; V26-F221 HydrophobicContact CG1-CE2 4.41Å
27	P	28.7	Very low	35.5	Very low	81 Å²	81	96.2 Å²	96.2	53%	0.526	54%	0.543	S	S	.	.			trans	-61.4	152.3	164.8	28.5	-32.6	0	0	0	108.4	H25 V29	H25-P27 WeakPolarHBondContact O-CD 3.01Å; P27-V29 PolarHBondContact O-N 3.5Å
28	P	29.7	Very low	34.5	Very low	101 Å²	101	102.3 Å²	102.3	66%	0.656	56%	0.56	S	S	*	*			trans	-51.2	118.7	178.9	22.8	-30.8	0	0	0	107.2	D30	P28-D30 VanDerWaalsContact C-N 3.28Å; P28-D30 PolarHBondContact O-N 3.34Å
29	V	33.1	Very low	33.3	Very low	107 Å²	107	104.5 Å²	104.5	65%	0.648	56%	0.557	S	S	*	*			trans	-56.2	114	155.5	-171.8	0	0	0	0	102	P27 D31	P27-V29 PolarHBondContact O-N 3.5Å; V29-D31 WeakPolarHBondContact CG1-OD1 3.03Å; V29-D31 PolarHBondContact O-N 3.38Å
30	D	33	Very low	31.8	Very low	142 Å²	142	105.6 Å²	105.6	76%	0.759	55%	0.551	S	S	*	*			trans	-68.6	72.5	-176.6	-134.4	-8.4	0	0	0	106.1	P28 N32	P28-D30 VanDerWaalsContact C-N 3.28Å; P28-D30 PolarHBondContact O-N 3.34Å; D30-N32 PolarHBondContact O-N 2.81Å
31	D	34.6	Very low	31.2	Very low	101 Å²	101	105.6 Å²	105.6	54%	0.54	56%	0.556	S	S	.	*			trans	-73.6	25.5	-177.2	-86.2	-0.3	0	0	0	110.5	V29	V29-D31 WeakPolarHBondContact CG1-OD1 3.03Å; V29-D31 PolarHBondContact O-N 3.38Å
32	N	35.3	Very low	30.6	Very low	50 Å²	50	107.9 Å²	107.9	27%	0.267	57%	0.57	S	S	.	*			trans	-123.9	88.7	175.2	-158.7	-4	0	0	0	110	D30 F34 G35	D30-N32 PolarHBondContact O-N 2.81Å; N32-F34 PolarHBondContact O-N 3.28Å; N32-F34 VanDerWaalsContact OD1-CA 3.28Å; N32-F34 WeakPolarHBondContact OD1-CA 3.44Å; N32-F34 WeakPolarHBondContact OD1-CB 3.38Å; N32-F34 PolarHBondContact OD1-N 2.85Å; N32-G35 VanDerWaalsContact CG-N 3.29Å; N32-G35 WeakPolarHBondContact ND2-CA 3.24Å; N32-G35 PolarHBondContact ND2-N 3.07Å; N32-G35 PolarHBondContact O-N 3.28Å; N32-G35 PolarHBondContact OD1-N 2.96Å
33	P	33.3	Very low	30.3	Very low	87 Å²	87	105.7 Å²	105.7	57%	0.565	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	1.9	165.6	24.6	-30.9	0	0	0	112.8
34	F	32.4	Very low	30	Very low	101 Å²	101	106.7 Å²	106.7	44%	0.443	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-130.1	24.8	-179.9	-52.1	-70.1	0	0	0	114.2	N32 P36 K91	N32-F34 PolarHBondContact O-N 3.28Å; N32-F34 VanDerWaalsContact OD1-CA 3.28Å; N32-F34 WeakPolarHBondContact OD1-CA 3.44Å; N32-F34 WeakPolarHBondContact OD1-CB 3.38Å; N32-F34 PolarHBondContact OD1-N 2.85Å; F34-P36 WeakPolarHBondContact O-CD 3.44Å; F34-P36 VanDerWaalsContact O-N 3.12Å; F34-K91 VanDerWaalsContact CD1-NZ 3.3Å
35	G	33.8	Very low	29.9	Very low	46 Å²	46	108.1 Å²	108.1	47%	0.474	59%	0.594	S	S	.	*			trans	-42.1	114.5	179.2	0	0	0	0	0	113.8	N32 A37	N32-G35 VanDerWaalsContact CG-N 3.29Å; N32-G35 WeakPolarHBondContact ND2-CA 3.24Å; N32-G35 PolarHBondContact ND2-N 3.07Å; N32-G35 PolarHBondContact O-N 3.28Å; N32-G35 PolarHBondContact OD1-N 2.96Å; G35-A37 PolarHBondContact O-N 3.28Å
36	P	27	Very low	29.8	Very low	64 Å²	64	107.2 Å²	107.2	42%	0.416	61%	0.609	S	S	.	*			trans	-81.4	66.1	-175.9	33.9	-34.4	0	0	0	109.9	F34 P211 T213	F34-P36 WeakPolarHBondContact O-CD 3.44Å; F34-P36 VanDerWaalsContact O-N 3.12Å; P36-P211 HydrophobicContact CB-CB 3.65Å; P36-P211 HydrophobicContact CB-CG 4.02Å; P36-P211 HydrophobicContact CG-CB 3.99Å; P36-T213 HydrophobicContact CG-CG2 4Å
37	A	25.6	Very low	30	Very low	80 Å²	80	107.8 Å²	107.8	66%	0.661	61%	0.613	S	S	*	*			trans	-146.9	73.9	-179.5	0	0	0	0	0	110.7	G35	G35-A37 PolarHBondContact O-N 3.28Å
38	R	28.1	Very low	30.4	Very low	222 Å²	222	108 Å²	108	84%	0.838	61%	0.609	S	S	*	*	S	Bend	trans	-171.9	84.5	150.1	-98.7	155.6	-147.1	-130.1	15.9	112.8
39	Y	29.3	Very low	30.7	Very low	210 Å²	210	107.5 Å²	107.5	82%	0.824	60%	0.597	S	S	*	*			trans	79.6	137.8	139.9	-61.6	-78.6	0	0	0	122.7
40	P	26.2	Very low	30.8	Very low	100 Å²	100	104.6 Å²	104.6	65%	0.649	59%	0.585	S	S	*	*			trans	-110.9	58	-173.3	35.1	-13.7	0	0	0	112.3
41	F	26.3	Very low	31.2	Very low	184 Å²	184	98.8 Å²	98.8	81%	0.807	55%	0.554	S	S	*	*			trans	-154.1	158.3	178.1	-76.4	-61.3	0	0	0	112.7
42	P	25.8	Very low	31.8	Very low	125 Å²	125	97.2 Å²	97.2	81%	0.812	54%	0.544	S	S	*	.	S	Bend		-90.4	150.6	-123.2	34.5	-37.3	0	0	0	115.8
43	G	30	Very low	32.7	Very low	76 Å²	76	95 Å²	95	78%	0.784	53%	0.532	S	S	*	.	S	Bend	trans	107.8	12.4	174.1	0	0	0	0	0	115.4
44	R	27.8	Very low	33.6	Very low	162 Å²	162	92.8 Å²	92.8	61%	0.611	52%	0.517	S	S	*	.			trans	-140.6	98.9	-177.9	-71.8	-177.1	179.1	-103.5	4.3	111	R144	R44-R144 VanDerWaalsContact NH1-NE 3.2Å
45	D	28.6	Very low	34.8	Very low	104 Å²	104	88 Å²	88	56%	0.556	50%	0.496	S	S	*	.			trans	-83.1	131.7	-175.8	-49.9	-21.4	0	0	0	110.2	T47 N48	D45-T47 WeakPolarHBondContact CB-OG1 2.92Å; D45-T47 PolarHBondContact O-N 3.02Å; D45-N48 PolarHBondContact O-N 2.85Å
46	G	28.6	Very low	35.8	Very low	70 Å²	70	86 Å²	86	72%	0.722	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	4.9	171.6	0	0	0	0	0	114.4
47	T	33	Very low	37.5	Very low	50 Å²	50	85 Å²	85	31%	0.307	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.1	171.7	54.5	0	0	0	0	113.1	D45 Q52	D45-T47 WeakPolarHBondContact CB-OG1 2.92Å; D45-T47 PolarHBondContact O-N 3.02Å; T47-Q52 PolarHBondContact O-NE2 3.09Å; T47-Q52 VanDerWaalsContact O-NE2 3.09Å
48	N	37.2	Very low	39.2	Very low	86 Å²	86	81.5 Å²	81.5	46%	0.46	43%	0.434	S	S	.	.	S	Bend	trans	-87.7	-8.5	-175.4	-89.2	-30.1	0	0	0	115.8	D45	D45-N48 PolarHBondContact O-N 2.85Å
49	F	35.6	Very low	40.9	Very low	90 Å²	90	74.3 Å²	74.3	40%	0.395	41%	0.409	S	S	.	.	S	Bend	trans	-129	25.8	-172.4	-71.9	-62.4	0	0	0	116	F148	F49-F148 HydrophobicContact CB-CE1 4.17Å; F49-F148 HydrophobicContact CB-CE2 4.46Å; F49-F148 HydrophobicContact CB-CZ 3.8Å; F49-F148 HydrophobicContact CD1-CD1 4.25Å; F49-F148 AromaticContact CD1-CD2 3.57Å; F49-F148 HydrophobicContact CD1-CD2 3.57Å; F49-F148 AromaticContact CD1-CE1 3.87Å; F49-F148 HydrophobicContact CD1-CE1 3.87Å; F49-F148 AromaticContact CD1-CE2 3.12Å; F49-F148 HydrophobicContact CD1-CE2 3.12Å; F49-F148 HydrophobicContact CD1-CG 4.14Å; F49-F148 AromaticContact CD1-CZ 3.3Å; F49-F148 HydrophobicContact CD1-CZ 3.3Å; F49-F148 AromaticContact CE1-CD2 3.68Å; F49-F148 HydrophobicContact CE1-CD2 3.68Å; F49-F148 AromaticContact CE1-CE2 3.53Å; F49-F148 HydrophobicContact CE1-CE2 3.53Å; F49-F148 HydrophobicContact CE1-CG 4.46Å; F49-F148 HydrophobicContact CE1-CZ 4.18Å; F49-F148 HydrophobicContact CG-CE2 4.08Å; F49-F148 AromaticContact CG-CZ 3.92Å; F49-F148 HydrophobicContact CG-CZ 3.92Å; F49-F148 WeakPolarHBondContact O-CE1 3.25Å
50	A	35.1	Very low	42.4	Very low	47 Å²	47	65 Å²	65	39%	0.388	38%	0.376	S	S	.	.	S	Bend	trans	-128.5	141.8	161.4	0	0	0	0	0	108	Q52	A50-Q52 VanDerWaalsContact C-N 3.34Å; A50-Q52 PolarHBondContact O-N 3.06Å
51	P	41.9	Very low	44.1	Very low	19 Å²	19	62.1 Å²	62.1	12%	0.123	36%	0.355	C	S	.	.			trans	-61.8	104.9	175.2	31.1	-38.9	0	0	0	106.8	F53 T151	P51-F53 VanDerWaalsContact C-N 3.29Å; P51-F53 HydrophobicContact CB-CD1 4.46Å; P51-F53 HydrophobicContact CB-CD2 4.37Å; P51-F53 HydrophobicContact CB-CE1 3.77Å; P51-F53 HydrophobicContact CB-CE2 3.68Å; P51-F53 HydrophobicContact CB-CZ 3.35Å; P51-F53 HydrophobicContact CG-CD2 4.46Å; P51-F53 HydrophobicContact CG-CE2 3.66Å; P51-F53 HydrophobicContact CG-CZ 3.78Å; P51-F53 PolarHBondContact O-N 3.43Å; P51-T151 HydrophobicContact CB-CG2 4.11Å; P51-T151 HydrophobicContact CG-CG2 3.33Å
52	Q	47.8	Very low	45.7	Very low	69 Å²	69	53.6 Å²	53.6	32%	0.322	32%	0.319	S	S	.	.			trans	-69.6	100.5	166.9	-62.2	-168.8	0.4	0	0	104.4	T47 A50 P54 I87 P168	T47-Q52 PolarHBondContact O-NE2 3.09Å; T47-Q52 VanDerWaalsContact O-NE2 3.09Å; A50-Q52 VanDerWaalsContact C-N 3.34Å; A50-Q52 PolarHBondContact O-N 3.06Å; Q52-P54 WeakPolarHBondContact O-CD 3.28Å; Q52-I87 HydrophobicContact CB-CD1 3.71Å; Q52-I87 HydrophobicContact CG-CD1 3.7Å; Q52-P168 VanDerWaalsContact O-O 3.07Å
53	F	52.8	Low	47.4	Very low	4 Å²	4	52.4 Å²	52.4	2%	0.018	31%	0.305	C	S	.	.			trans	-89.5	87.1	158.3	-56.9	-50	0	0	0	105.2	P51 L55 T56 V153 C165 C170	P51-F53 VanDerWaalsContact C-N 3.29Å; P51-F53 HydrophobicContact CB-CD1 4.46Å; P51-F53 HydrophobicContact CB-CD2 4.37Å; P51-F53 HydrophobicContact CB-CE1 3.77Å; P51-F53 HydrophobicContact CB-CE2 3.68Å; P51-F53 HydrophobicContact CB-CZ 3.35Å; P51-F53 HydrophobicContact CG-CD2 4.46Å; P51-F53 HydrophobicContact CG-CE2 3.66Å; P51-F53 HydrophobicContact CG-CZ 3.78Å; P51-F53 PolarHBondContact O-N 3.43Å; F53-L55 PolarHBondContact O-N 2.78Å; F53-T56 HydrophobicContact CB-CG2 4.06Å; F53-T56 WeakPolarHBondContact CB-OG1 3.46Å; F53-T56 PolarHBondContact O-N 3.2Å; F53-V153 HydrophobicContact CD2-CG1 3.96Å; F53-V153 HydrophobicContact CD2-CG2 4.33Å; F53-V153 HydrophobicContact CE2-CB 3.93Å; F53-V153 HydrophobicContact CE2-CG1 3.78Å; F53-V153 HydrophobicContact CE2-CG2 3.48Å; F53-V153 VanDerWaalsContact CE2-CG2 3.48Å; F53-V153 HydrophobicContact CZ-CG2 3.64Å; F53-C165 HydrophobicContact CE1-CB 3.54Å; F53-C165 WeakPolarHBondContact CE1-SG 3.41Å; F53-C165 HydrophobicContact CZ-CB 3.45Å; F53-C165 VanDerWaalsContact CZ-CB 3.45Å; F53-C170 HydrophobicContact CB-CB 4.35Å; F53-C170 HydrophobicContact CD1-CB 3.29Å; F53-C170 WeakPolarHBondContact CD1-SG 3.4Å; F53-C170 HydrophobicContact CE1-CB 3.71Å; F53-C170 WeakPolarHBondContact CE1-SG 3.06Å; F53-C170 HydrophobicContact CG-CB 3.8Å; F53-C170 HydrophobicContact CZ-CB 4.48Å; F53-C170 WeakPolarHBondContact CZ-SG 2.87Å
54	P	52.1	Low	48.8	Very low	39 Å²	39	49.8 Å²	49.8	25%	0.253	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-13.7	178.7	28.3	-36.4	0	0	0	111.2	Q52 P114	Q52-P54 WeakPolarHBondContact O-CD 3.28Å; P54-P114 VanDerWaalsContact O-CD 3.28Å; P54-P114 WeakPolarHBondContact O-CD 2.8Å; P54-P114 WeakPolarHBondContact O-CG 3.22Å
55	L	57.8	Low	50	Low	1 Å²	1	50 Å²	50	1%	0.005	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	10.1	-178.8	-49.4	-178.5	0	0	0	113.3	F53 P111 V112 P114 L115 L117 F169 P172	F53-L55 PolarHBondContact O-N 2.78Å; L55-P111 CarbonylContact O-C 3.57Å; L55-P111 WeakPolarHBondContact O-CA 2.76Å; L55-P111 WeakPolarHBondContact O-CB 3.09Å; L55-V112 CarbonylContact C-O 3.59Å; L55-V112 WeakPolarHBondContact CA-O 3.49Å; L55-V112 CarbonylContact O-C 3.56Å; L55-V112 PolarHBondContact O-N 2.91Å; L55-V112 VanDerWaalsContact O-N 3.15Å; L55-P114 HydrophobicContact CD2-CG 4.39Å; L55-L115 HydrophobicContact CD2-CB 4.24Å; L55-L115 HydrophobicContact CD2-CD1 4.05Å; L55-L115 HydrophobicContact CD2-CG 4.09Å; L55-L117 HydrophobicContact CD1-CD1 4.18Å; L55-L117 HydrophobicContact CD2-CD1 4.37Å; L55-F169 HydrophobicContact CD1-CB 4.17Å; L55-F169 HydrophobicContact CD1-CG 4.38Å; L55-P172 HydrophobicContact CB-CB 3.85Å; L55-P172 HydrophobicContact CD1-CB 3.82Å; L55-P172 HydrophobicContact CD1-CG 3.77Å; L55-P172 HydrophobicContact CG-CB 4.48Å
56	T	56	Low	51.2	Low	3 Å²	3	45.1 Å²	45.1	2%	0.018	25%	0.249	C	C	.	.			trans	-141.3	133	-174.6	74.1	0	0	0	0	115.1	F53 P80 F108 P111 C170	F53-T56 HydrophobicContact CB-CG2 4.06Å; F53-T56 WeakPolarHBondContact CB-OG1 3.46Å; F53-T56 PolarHBondContact O-N 3.2Å; T56-P80 VanDerWaalsContact O-CD 3.24Å; T56-P80 WeakPolarHBondContact O-CD 3.37Å; T56-P80 WeakPolarHBondContact O-CG 3.28Å; T56-F108 VanDerWaalsContact CB-CE2 3.41Å; T56-F108 HydrophobicContact CG2-CE1 4.03Å; T56-F108 HydrophobicContact CG2-CE2 4.04Å; T56-F108 HydrophobicContact CG2-CZ 3.38Å; T56-P111 HydrophobicContact CG2-CB 3.75Å; T56-C170 HydrophobicContact CG2-CB 4.18Å
57	H	61.9	Low	52.2	Low	44 Å²	44	46.7 Å²	46.7	20%	0.204	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.5	168.9	-66	-100.1	0	0	0	109.3	N78 F108 V109 V112	H57-N78 VanDerWaalsContact CA-O 3.3Å; H57-N78 WeakPolarHBondContact CA-O 3.02Å; H57-F108 WeakPolarHBondContact O-CD2 2.92Å; H57-F108 WeakPolarHBondContact O-CE2 3.34Å; H57-V109 VanDerWaalsContact O-O 3.07Å; H57-V112 WeakPolarHBondContact CD2-CB 3.21Å; H57-V112 WeakPolarHBondContact CD2-CG2 3.31Å; H57-V112 VanDerWaalsContact NE2-CB 3.26Å; H57-V112 WeakPolarHBondContact NE2-CB 3.29Å; H57-V112 VanDerWaalsContact NE2-CG2 3.25Å; H57-V112 WeakPolarHBondContact NE2-CG2 3.39Å
58	Q	62.5	Low	53.3	Low	6 Å²	6	46.5 Å²	46.5	3%	0.028	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.6	176.4	151.2	176.9	38.1	0	0	109.4	L77 N78 F108 V153	Q58-L77 WeakPolarHBondContact O-CA 3.44Å; Q58-N78 HydrophobicContact CB-CB 4.11Å; Q58-N78 PolarHBondContact N-O 3.21Å; Q58-N78 VanDerWaalsContact N-O 3.15Å; Q58-N78 PolarHBondContact O-N 2.99Å; Q58-F108 HydrophobicContact CB-CD2 4.22Å; Q58-F108 HydrophobicContact CB-CE2 4.47Å; Q58-V153 PolarHBondContact NE2-O 3.3Å; Q58-V153 PolarHBondContact OE1-O 2.84Å
59	F	63	Low	54.1	Low	71 Å²	71	45.3 Å²	45.3	31%	0.311	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	108.2	166.3	-179.9	-97	0	0	0	110	N61 K76 L77 H107	F59-N61 HydrophobicContact CE1-CB 3.71Å; F59-N61 HydrophobicContact CZ-CB 3.88Å; F59-K76 CarbonylContact C-O 3.44Å; F59-K76 VanDerWaalsContact CA-O 3.31Å; F59-K76 WeakPolarHBondContact CA-O 3.48Å; F59-L77 HydrophobicContact CD2-CB 4.4Å; F59-L77 HydrophobicContact CD2-CD1 4.18Å; F59-H107 CarbonylContact C-O 3.5Å; F59-H107 AromaticContact CD1-CE1 3.31Å; F59-H107 WeakPolarHBondContact CD1-CE1 3.29Å; F59-H107 AromaticContact CD1-ND1 3.85Å; F59-H107 AromaticContact CE1-CE1 3.83Å; F59-H107 PolarHBondContact O-N 2.87Å
60	A	61	Low	55.1	Low	14 Å²	14	41.1 Å²	41.1	12%	0.116	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.6	171.8	0	0	0	0	0	108.9	G75 K76	A60-G75 CarbonylContact O-C 3.2Å; A60-G75 WeakPolarHBondContact O-CA 3.13Å; A60-K76 HydrophobicContact CB-CB 4.14Å; A60-K76 PolarHBondContact N-O 3.09Å; A60-K76 PolarHBondContact O-N 3.39Å
61	N	62.7	Low	56.4	Low	40 Å²	40	43.6 Å²	43.6	21%	0.214	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.6	175.5	-161.9	-27.5	0	0	0	111.1	F59 R74 Y105	F59-N61 HydrophobicContact CE1-CB 3.71Å; F59-N61 HydrophobicContact CZ-CB 3.88Å; N61-R74 CarbonylContact C-O 3.54Å; N61-R74 VanDerWaalsContact CA-O 3.26Å; N61-R74 WeakPolarHBondContact CA-O 3.14Å; N61-R74 PolarHBondContact OD1-O 3.18Å; N61-Y105 CarbonylContact C-O 3.57Å; N61-Y105 PolarHBondContact N-O 3.3Å; N61-Y105 CarbonylContact O-C 3.53Å; N61-Y105 WeakPolarHBondContact O-CA 3.25Å; N61-Y105 PolarHBondContact O-N 3.25Å
62	G	59.6	Low	57.5	Low	5 Å²	5	43.1 Å²	43.1	5%	0.052	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.1	173.1	0	0	0	0	0	109.3	Q73 R74	G62-Q73 WeakPolarHBondContact O-CA 3.05Å; G62-R74 PolarHBondContact N-O 3.17Å; G62-R74 PolarHBondContact O-N 2.87Å
63	L	61.1	Low	58.2	Low	100 Å²	100	43.1 Å²	43.1	52%	0.524	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	111.5	173.3	-70.8	173.2	0	0	0	108.8	Q73 Y103	L63-Q73 HydrophobicContact CD2-CG 4.28Å; L63-Y103 CarbonylContact C-O 3.47Å; L63-Y103 VanDerWaalsContact C-O 3.26Å; L63-Y103 PolarHBondContact N-O 3.06Å; L63-Y103 CarbonylContact O-C 3.57Å; L63-Y103 PolarHBondContact O-N 3.21Å
64	Q	58.4	Low	58.7	Low	21 Å²	21	48 Å²	48	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.9	-179.7	-41.7	-170.5	21.7	0	0	108.3	Y72 W102	Q64-Y72 VanDerWaalsContact CB-CB 3.44Å; Q64-Y72 HydrophobicContact CB-CD2 3.55Å; Q64-Y72 HydrophobicContact CB-CG 3.62Å; Q64-Y72 HydrophobicContact CG-CD2 4.44Å; Q64-Y72 HydrophobicContact CG-CG 4.01Å; Q64-Y72 PolarHBondContact N-O 3.35Å; Q64-Y72 PolarHBondContact O-N 2.9Å; Q64-Y72 VanDerWaalsContact OE1-CD1 3.26Å; Q64-Y72 VanDerWaalsContact OE1-CG 3.26Å; Q64-W102 HydrophobicContact CB-CB 3.47Å; Q64-W102 VanDerWaalsContact CB-CB 3.47Å; Q64-W102 HydrophobicContact CG-CB 3.53Å; Q64-W102 HydrophobicContact CG-CD2 4.23Å; Q64-W102 HydrophobicContact CG-CE3 3.98Å; Q64-W102 HydrophobicContact CG-CG 4.12Å
65	Y	53.5	Low	59.2	Low	168 Å²	168	46.8 Å²	46.8	66%	0.659	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	111.6	176.8	-175.2	-95.4	0	0	0	109.2
66	G	53.5	Low	59.3	Low	1 Å²	1	48.9 Å²	48.9	1%	0.01	26%	0.264	C	S	.	.			trans	-84.9	131.9	-178.3	0	0	0	0	0	112.8	G68 G69 G70	G66-G68 PolarHBondContact O-N 3.1Å; G66-G68 VanDerWaalsContact O-N 3.08Å; G66-G69 PolarHBondContact O-N 3.32Å; G66-G70 PolarHBondContact N-O 2.96Å
67	S	50.7	Low	59.9	Low	103 Å²	103	51.1 Å²	51.1	72%	0.72	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.6	167.4	64.6	0	0	0	0	113.5	A100	S67-A100 VanDerWaalsContact N-CB 3.25Å
68	G	55.3	Low	59.9	Low	45 Å²	45	49.6 Å²	49.6	46%	0.464	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	11.5	171.3	0	0	0	0	0	114.9	G66	G66-G68 PolarHBondContact O-N 3.1Å; G66-G68 VanDerWaalsContact O-N 3.08Å
69	G	54.9	Low	59.9	Low	62 Å²	62	51.5 Å²	51.5	64%	0.639	28%	0.279	S	S	*	.	S	Bend	trans	84.7	10	179.7	0	0	0	0	0	114.9	G66	G66-G69 PolarHBondContact O-N 3.32Å
70	G	57.1	Low	59.6	Low	1 Å²	1	48.4 Å²	48.4	1%	0.01	27%	0.266	C	S	.	.			trans	-76.2	136.9	175.7	0	0	0	0	0	112.6	G66 V96	G66-G70 PolarHBondContact N-O 2.96Å; G70-V96 CarbonylContact C-O 3.57Å; G70-V96 WeakPolarHBondContact CA-O 3.33Å
71	Y	62.3	Low	59.5	Low	100 Å²	100	50.2 Å²	50.2	39%	0.392	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.8	172.9	179.6	-97.7	0	0	0	109.4	Q73 V96	Y71-Q73 HydrophobicContact CE1-CB 3.62Å; Y71-Q73 PolarHBondContact OH-OE1 3.42Å; Y71-Q73 VanDerWaalsContact OH-OE1 3.06Å; Y71-V96 PolarHBondContact N-O 2.89Å; Y71-V96 PolarHBondContact O-N 2.9Å
72	Y	63.1	Low	59.2	Low	8 Å²	8	51.5 Å²	51.5	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	137.6	170.3	-27.1	-140.6	0	0	0	110.9	Q64 L94 T95 G97 T98 N99	Q64-Y72 VanDerWaalsContact CB-CB 3.44Å; Q64-Y72 HydrophobicContact CB-CD2 3.55Å; Q64-Y72 HydrophobicContact CB-CG 3.62Å; Q64-Y72 HydrophobicContact CG-CD2 4.44Å; Q64-Y72 HydrophobicContact CG-CG 4.01Å; Q64-Y72 PolarHBondContact N-O 3.35Å; Q64-Y72 PolarHBondContact O-N 2.9Å; Q64-Y72 VanDerWaalsContact OE1-CD1 3.26Å; Q64-Y72 VanDerWaalsContact OE1-CG 3.26Å; Y72-L94 CarbonylContact C-O 3.46Å; Y72-L94 WeakPolarHBondContact CA-O 2.86Å; Y72-T95 HydrophobicContact CD1-CG2 3.14Å; Y72-T95 WeakPolarHBondContact CD1-OG1 2.83Å; Y72-T95 HydrophobicContact CE1-CG2 3.09Å; Y72-T95 HydrophobicContact CG-CG2 4.17Å; Y72-G97 PolarHBondContact OH-O 3.43Å; Y72-T98 PolarHBondContact OH-O 3.03Å; Y72-N99 VanDerWaalsContact OH-CA 3.31Å; Y72-N99 WeakPolarHBondContact OH-CA 3.49Å; Y72-N99 PolarHBondContact OH-N 3.07Å; Y72-N99 PolarHBondContact OH-OD1 2.91Å; Y72-N99 VanDerWaalsContact OH-OD1 3.1Å
73	Q	64.2	Low	59.1	Low	69 Å²	69	63 Å²	63	32%	0.322	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125.8	179.7	-173.8	-179.6	15.2	0	0	108.5	G62 L63 Y71 L93 L94	G62-Q73 WeakPolarHBondContact O-CA 3.05Å; L63-Q73 HydrophobicContact CD2-CG 4.28Å; Y71-Q73 HydrophobicContact CE1-CB 3.62Å; Y71-Q73 PolarHBondContact OH-OE1 3.42Å; Y71-Q73 VanDerWaalsContact OH-OE1 3.06Å; Q73-L93 CarbonylContact O-C 3.59Å; Q73-L93 WeakPolarHBondContact O-CA 3.01Å; Q73-L94 PolarHBondContact N-O 3.15Å; Q73-L94 PolarHBondContact O-N 3.44Å
74	R	61.6	Low	58.7	Low	107 Å²	107	63.3 Å²	63.3	40%	0.404	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.2	172.1	-176.6	-179.6	-76.6	-161.2	-6.2	108.2	N61 G62 S92 L93	N61-R74 CarbonylContact C-O 3.54Å; N61-R74 VanDerWaalsContact CA-O 3.26Å; N61-R74 WeakPolarHBondContact CA-O 3.14Å; N61-R74 PolarHBondContact OD1-O 3.18Å; G62-R74 PolarHBondContact N-O 3.17Å; G62-R74 PolarHBondContact O-N 2.87Å; R74-S92 CarbonylContact C-O 3.04Å; R74-S92 WeakPolarHBondContact CA-O 3.24Å; R74-L93 HydrophobicContact CB-CD1 3.88Å; R74-L93 HydrophobicContact CG-CD1 4.13Å
75	G	62.9	Low	58.3	Low	13 Å²	13	65 Å²	65	13%	0.134	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135	173.2	0	0	0	0	0	110.1	A60 S92	A60-G75 CarbonylContact O-C 3.2Å; A60-G75 WeakPolarHBondContact O-CA 3.13Å; G75-S92 WeakPolarHBondContact CA-OG 3.48Å; G75-S92 PolarHBondContact N-O 3.4Å; G75-S92 PolarHBondContact N-OG 2.72Å; G75-S92 PolarHBondContact O-N 2.72Å
76	K	61.4	Low	58.1	Low	45 Å²	45	58.1 Å²	58.1	20%	0.196	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.2	165.6	-173.9	-179.1	177.9	-157.2	0	108.4	F59 A60 L90 K91	F59-K76 CarbonylContact C-O 3.44Å; F59-K76 VanDerWaalsContact CA-O 3.31Å; F59-K76 WeakPolarHBondContact CA-O 3.48Å; A60-K76 HydrophobicContact CB-CB 4.14Å; A60-K76 PolarHBondContact N-O 3.09Å; A60-K76 PolarHBondContact O-N 3.39Å; K76-L90 WeakPolarHBondContact CA-O 3.29Å; K76-K91 HydrophobicContact CG-CG 4.31Å
77	L	66.7	Low	58.1	Low	50 Å²	50	60 Å²	60	26%	0.262	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	113.4	179.6	171.7	58.9	0	0	0	108.6	Q58 F59 I79 W88 D89 L90	Q58-L77 WeakPolarHBondContact O-CA 3.44Å; F59-L77 HydrophobicContact CD2-CB 4.4Å; F59-L77 HydrophobicContact CD2-CD1 4.18Å; L77-I79 HydrophobicContact CD1-CD1 4.1Å; L77-I79 HydrophobicContact CD1-CG1 3.81Å; L77-I79 HydrophobicContact CD2-CD1 4.14Å; L77-I79 HydrophobicContact CG-CD1 4.12Å; L77-I79 HydrophobicContact CG-CG1 4.02Å; L77-W88 HydrophobicContact CD2-CZ3 3.82Å; L77-W88 HydrophobicContact CG-CZ3 4.22Å; L77-D89 CarbonylContact O-C 3.47Å; L77-D89 VanDerWaalsContact O-CA 3.31Å; L77-D89 WeakPolarHBondContact O-CA 3.16Å; L77-L90 HydrophobicContact CB-CB 4.38Å; L77-L90 PolarHBondContact N-O 2.8Å; L77-L90 PolarHBondContact O-N 2.87Å
78	N	62.7	Low	58.7	Low	12 Å²	12	59 Å²	59	6%	0.064	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.5	176.9	179	-24.7	0	0	0	109.1	H57 Q58 I87	H57-N78 VanDerWaalsContact CA-O 3.3Å; H57-N78 WeakPolarHBondContact CA-O 3.02Å; Q58-N78 HydrophobicContact CB-CB 4.11Å; Q58-N78 PolarHBondContact N-O 3.21Å; Q58-N78 VanDerWaalsContact N-O 3.15Å; Q58-N78 PolarHBondContact O-N 2.99Å; N78-I87 WeakPolarHBondContact OD1-CG2 3.15Å
79	I	62.8	Low	59	Low	46 Å²	46	57.6 Å²	57.6	24%	0.236	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	106.8	178.3	-56.7	-179.3	0	0	0	108.2	L77 L81 W88	L77-I79 HydrophobicContact CD1-CD1 4.1Å; L77-I79 HydrophobicContact CD1-CG1 3.81Å; L77-I79 HydrophobicContact CD2-CD1 4.14Å; L77-I79 HydrophobicContact CG-CD1 4.12Å; L77-I79 HydrophobicContact CG-CG1 4.02Å; I79-L81 HydrophobicContact CG2-CD2 3.8Å; I79-L81 HydrophobicContact CG2-CG 4.02Å; I79-L81 PolarHBondContact O-N 3.33Å; I79-W88 HydrophobicContact CB-CB 4.48Å; I79-W88 HydrophobicContact CD1-CE3 3.94Å; I79-W88 HydrophobicContact CD1-CZ3 4.19Å; I79-W88 HydrophobicContact CG1-CE3 4.3Å; I79-W88 PolarHBondContact N-O 2.86Å; I79-W88 PolarHBondContact O-N 3.46Å
80	P	55.8	Low	59.6	Low	7 Å²	7	56.8 Å²	56.8	5%	0.045	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	123	169.1	25.3	-35.2	0	0	0	110.1	T56 P82	T56-P80 VanDerWaalsContact O-CD 3.24Å; T56-P80 WeakPolarHBondContact O-CD 3.37Å; T56-P80 WeakPolarHBondContact O-CG 3.28Å; P80-P82 VanDerWaalsContact C-CD 3.41Å; P80-P82 WeakPolarHBondContact O-CD 2.82Å
81	L	60.2	Low	60	Low	51 Å²	51	57.6 Å²	57.6	27%	0.267	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	80.3	175.5	-65	174.1	0	0	0	109.1	I79 R83 W84 A86 W88	I79-L81 HydrophobicContact CG2-CD2 3.8Å; I79-L81 HydrophobicContact CG2-CG 4.02Å; I79-L81 PolarHBondContact O-N 3.33Å; L81-R83 PolarHBondContact O-N 2.86Å; L81-R83 VanDerWaalsContact O-N 3.09Å; L81-W84 HydrophobicContact CB-CB 4.35Å; L81-W84 HydrophobicContact CB-CD2 4.2Å; L81-W84 HydrophobicContact CB-CE3 4.09Å; L81-W84 HydrophobicContact CB-CG 4.35Å; L81-W84 HydrophobicContact CD1-CD2 4Å; L81-W84 HydrophobicContact CD1-CE3 3.25Å; L81-W84 HydrophobicContact CD1-CH2 3.85Å; L81-W84 HydrophobicContact CD1-CZ3 3.18Å; L81-W84 HydrophobicContact CG-CE3 4.29Å; L81-W84 PolarHBondContact O-N 3.16Å; L81-A86 CarbonylContact C-O 3.4Å; L81-A86 PolarHBondContact N-O 2.87Å; L81-W88 HydrophobicContact CD1-CB 3.85Å
82	P	56.4	Low	60	Low	68 Å²	68	54.6 Å²	54.6	44%	0.442	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-56.9	-31.7	-174.7	-2.5	-4.1	0	0	0	113.8	P80 W84 G85 P114	P80-P82 VanDerWaalsContact C-CD 3.41Å; P80-P82 WeakPolarHBondContact O-CD 2.82Å; P82-W84 PolarHBondContact O-N 3.19Å; P82-G85 PolarHBondContact O-N 2.86Å; P82-P114 HydrophobicContact CG-CB 3.31Å; P82-P114 HydrophobicContact CG-CG 3.53Å
83	R	56.1	Low	60	Low	245 Å²	245	55.1 Å²	55.1	93%	0.925	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-60.3	-25.3	175.1	-82.4	-174	158.9	-177.5	-5.5	113.6	L81	L81-R83 PolarHBondContact O-N 2.86Å; L81-R83 VanDerWaalsContact O-N 3.09Å
84	W	54.2	Low	60	Low	108 Å²	108	55.9 Å²	55.9	41%	0.409	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-100.9	-0.6	-177.7	-61.7	-9.6	0	0	0	112.5	L81 P82 A86 G205	L81-W84 HydrophobicContact CB-CB 4.35Å; L81-W84 HydrophobicContact CB-CD2 4.2Å; L81-W84 HydrophobicContact CB-CE3 4.09Å; L81-W84 HydrophobicContact CB-CG 4.35Å; L81-W84 HydrophobicContact CD1-CD2 4Å; L81-W84 HydrophobicContact CD1-CE3 3.25Å; L81-W84 HydrophobicContact CD1-CH2 3.85Å; L81-W84 HydrophobicContact CD1-CZ3 3.18Å; L81-W84 HydrophobicContact CG-CE3 4.29Å; L81-W84 PolarHBondContact O-N 3.16Å; P82-W84 PolarHBondContact O-N 3.19Å; W84-A86 PolarHBondContact O-N 3.39Å; W84-G205 WeakPolarHBondContact O-CA 3.03Å; W84-G205 PolarHBondContact O-N 2.86Å
85	G	48.4	Very low	60.1	Low	55 Å²	55	51.3 Å²	51.3	57%	0.567	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	15.1	-173.6	0	0	0	0	0	113.5	P82	P82-G85 PolarHBondContact O-N 2.86Å
86	A	49.7	Very low	60	Low	24 Å²	24	53.9 Å²	53.9	20%	0.198	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	155.5	-172.5	0	0	0	0	0	111.2	L81 W84	L81-A86 CarbonylContact C-O 3.4Å; L81-A86 PolarHBondContact N-O 2.87Å; W84-A86 PolarHBondContact O-N 3.39Å
87	I	54.6	Low	60.1	Low	40 Å²	40	52.4 Å²	52.4	21%	0.205	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.8	174	-63.3	-173.4	0	0	0	108.1	Q52 N78 D89	Q52-I87 HydrophobicContact CB-CD1 3.71Å; Q52-I87 HydrophobicContact CG-CD1 3.7Å; N78-I87 WeakPolarHBondContact OD1-CG2 3.15Å; I87-D89 PolarHBondContact O-N 3.43Å
88	W	62.5	Low	59.7	Low	83 Å²	83	52.1 Å²	52.1	31%	0.314	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	101.3	171.6	-166.2	82.3	0	0	0	108.4	L77 I79 L81 L90 P198	L77-W88 HydrophobicContact CD2-CZ3 3.82Å; L77-W88 HydrophobicContact CG-CZ3 4.22Å; I79-W88 HydrophobicContact CB-CB 4.48Å; I79-W88 HydrophobicContact CD1-CE3 3.94Å; I79-W88 HydrophobicContact CD1-CZ3 4.19Å; I79-W88 HydrophobicContact CG1-CE3 4.3Å; I79-W88 PolarHBondContact N-O 2.86Å; I79-W88 PolarHBondContact O-N 3.46Å; L81-W88 HydrophobicContact CD1-CB 3.85Å; W88-L90 HydrophobicContact CH2-CB 3.86Å; W88-L90 HydrophobicContact CH2-CD2 4.03Å; W88-L90 HydrophobicContact CH2-CG 4.48Å; W88-L90 HydrophobicContact CZ2-CB 4.41Å; W88-L90 HydrophobicContact CZ3-CB 3.91Å; W88-P198 HydrophobicContact CG-CG 4.21Å
89	D	62.6	Low	59.3	Low	15 Å²	15	52.3 Å²	52.3	8%	0.08	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.4	177.5	-175.9	14.9	0	0	0	109.8	L77 I87 K91 P198 R209	L77-D89 CarbonylContact O-C 3.47Å; L77-D89 VanDerWaalsContact O-CA 3.31Å; L77-D89 WeakPolarHBondContact O-CA 3.16Å; I87-D89 PolarHBondContact O-N 3.43Å; D89-K91 WeakPolarHBondContact OD2-CE 3.18Å; D89-P198 WeakPolarHBondContact O-CD 3.39Å; D89-R209 IonicContact OD2-NH2 3.94Å
90	L	67	Low	58.9	Low	45 Å²	45	50.3 Å²	50.3	24%	0.236	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.4	171.8	172.9	68.6	0	0	0	108.8	K76 L77 W88 L195 F197	K76-L90 WeakPolarHBondContact CA-O 3.29Å; L77-L90 HydrophobicContact CB-CB 4.38Å; L77-L90 PolarHBondContact N-O 2.8Å; L77-L90 PolarHBondContact O-N 2.87Å; W88-L90 HydrophobicContact CH2-CB 3.86Å; W88-L90 HydrophobicContact CH2-CD2 4.03Å; W88-L90 HydrophobicContact CH2-CG 4.48Å; W88-L90 HydrophobicContact CZ2-CB 4.41Å; W88-L90 HydrophobicContact CZ3-CB 3.91Å; L90-L195 HydrophobicContact CD1-CD1 3.87Å; L90-F197 HydrophobicContact CD1-CB 3.84Å
91	K	65	Low	58.7	Low	18 Å²	18	51.6 Å²	51.6	8%	0.078	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.8	169.4	-61.9	178.6	-177.7	179.7	0	108.9	F34 K76 D89 L195 D196	F34-K91 VanDerWaalsContact CD1-NZ 3.3Å; K76-K91 HydrophobicContact CG-CG 4.31Å; D89-K91 WeakPolarHBondContact OD2-CE 3.18Å; K91-L195 WeakPolarHBondContact O-CA 3.4Å; K91-D196 HydrophobicContact CB-CB 4.3Å; K91-D196 PolarHBondContact N-O 3.16Å; K91-D196 PolarHBondContact O-N 2.75Å
92	S	62	Low	58.5	Low	38 Å²	38	50.2 Å²	50.2	27%	0.266	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137	170	63.5	0	0	0	0	110.4	R74 G75 L194	R74-S92 CarbonylContact C-O 3.04Å; R74-S92 WeakPolarHBondContact CA-O 3.24Å; G75-S92 WeakPolarHBondContact CA-OG 3.48Å; G75-S92 PolarHBondContact N-O 3.4Å; G75-S92 PolarHBondContact N-OG 2.72Å; G75-S92 PolarHBondContact O-N 2.72Å; S92-L194 CarbonylContact C-O 3.51Å; S92-L194 VanDerWaalsContact CA-O 3.25Å; S92-L194 WeakPolarHBondContact CA-O 3.11Å
93	L	64.5	Low	58.5	Low	19 Å²	19	53.1 Å²	53.1	10%	0.099	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	123.4	167	-176.8	61.2	0	0	0	106.5	Q73 R74 D192 G193 L194	Q73-L93 CarbonylContact O-C 3.59Å; Q73-L93 WeakPolarHBondContact O-CA 3.01Å; R74-L93 HydrophobicContact CB-CD1 3.88Å; R74-L93 HydrophobicContact CG-CD1 4.13Å; L93-D192 WeakPolarHBondContact CD2-OD2 3.08Å; L93-G193 CarbonylContact O-C 3.49Å; L93-G193 WeakPolarHBondContact O-CA 2.97Å; L93-L194 HydrophobicContact CB-CB 3.82Å; L93-L194 PolarHBondContact N-O 3.18Å; L93-L194 PolarHBondContact O-N 3.08Å
94	L	63.7	Low	58.7	Low	85 Å²	85	42 Å²	42	45%	0.445	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.8	168.3	179.9	64.8	0	0	0	106.9	Y72 Q73 V96 D192	Y72-L94 CarbonylContact C-O 3.46Å; Y72-L94 WeakPolarHBondContact CA-O 2.86Å; Q73-L94 PolarHBondContact N-O 3.15Å; Q73-L94 PolarHBondContact O-N 3.44Å; L94-V96 HydrophobicContact CD1-CG2 4.07Å; L94-V96 HydrophobicContact CG-CG2 4.42Å; L94-D192 CarbonylContact C-O 3.52Å; L94-D192 WeakPolarHBondContact CA-O 3.38Å
95	T	63	Low	59	Low	10 Å²	10	42.6 Å²	42.6	6%	0.061	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	119.8	-179.1	-70.3	0	0	0	0	106.7	Y72 A190 L191 D192	Y72-T95 HydrophobicContact CD1-CG2 3.14Å; Y72-T95 WeakPolarHBondContact CD1-OG1 2.83Å; Y72-T95 HydrophobicContact CE1-CG2 3.09Å; Y72-T95 HydrophobicContact CG-CG2 4.17Å; T95-A190 HydrophobicContact CG2-CB 3.79Å; T95-L191 VanDerWaalsContact O-CA 3.29Å; T95-L191 WeakPolarHBondContact O-CA 2.91Å; T95-D192 HydrophobicContact CG2-CB 4.26Å; T95-D192 PolarHBondContact N-O 3.47Å; T95-D192 PolarHBondContact O-N 2.89Å
96	V	61.8	Low	59.7	Low	68 Å²	68	40.1 Å²	40.1	41%	0.412	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	119.1	176.2	-178.1	0	0	0	0	109.2	G70 Y71 L94	G70-V96 CarbonylContact C-O 3.57Å; G70-V96 WeakPolarHBondContact CA-O 3.33Å; Y71-V96 PolarHBondContact N-O 2.89Å; Y71-V96 PolarHBondContact O-N 2.9Å; L94-V96 HydrophobicContact CD1-CG2 4.07Å; L94-V96 HydrophobicContact CG-CG2 4.42Å
97	G	62.3	Low	60.3	Low	14 Å²	14	41.2 Å²	41.2	14%	0.144	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.7	-154.7	164	0	0	0	0	0	113.1	Y72 A190	Y72-G97 PolarHBondContact OH-O 3.43Å; G97-A190 PolarHBondContact N-O 3.43Å; G97-A190 VanDerWaalsContact N-O 3.15Å; G97-A190 PolarHBondContact O-N 3.23Å
98	T	59.6	Low	60.7	Low	43 Å²	43	40.1 Å²	40.1	26%	0.264	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	144	-179.3	71.7	0	0	0	0	111.2	Y72 A100 S186 N188	Y72-T98 PolarHBondContact OH-O 3.03Å; T98-A100 PolarHBondContact O-N 3.14Å; T98-S186 WeakPolarHBondContact CB-OG 3.28Å; T98-S186 PolarHBondContact OG1-OG 3.1Å; T98-N188 WeakPolarHBondContact CA-O 2.75Å
99	N	53.6	Low	60.5	Low	17 Å²	17	39.8 Å²	39.8	9%	0.091	21%	0.207	C	C	.	.			trans	-64.9	120.3	-176.1	-69.6	-19.1	0	0	0	111	Y72 Q184 K185 S186 N188	Y72-N99 VanDerWaalsContact OH-CA 3.31Å; Y72-N99 WeakPolarHBondContact OH-CA 3.49Å; Y72-N99 PolarHBondContact OH-N 3.07Å; Y72-N99 PolarHBondContact OH-OD1 2.91Å; Y72-N99 VanDerWaalsContact OH-OD1 3.1Å; N99-Q184 HydrophobicContact CB-CG 4.36Å; N99-K185 CarbonylContact O-C 3.32Å; N99-K185 VanDerWaalsContact O-C 3.32Å; N99-S186 WeakPolarHBondContact O-CA 3.14Å; N99-S186 WeakPolarHBondContact O-CB 3.4Å; N99-S186 PolarHBondContact O-N 3.17Å; N99-N188 PolarHBondContact N-O 2.98Å
100	A	53.4	Low	60.4	Low	4 Å²	4	44.8 Å²	44.8	3%	0.033	23%	0.23	C	C	.	.			trans	-144	173.3	176.8	0	0	0	0	0	110	S67 T98 W102	S67-A100 VanDerWaalsContact N-CB 3.25Å; T98-A100 PolarHBondContact O-N 3.14Å; A100-W102 PolarHBondContact O-N 3.25Å
101	P	51.7	Low	60	Low	33 Å²	33	43 Å²	43	21%	0.214	22%	0.221	C	C	.	.			trans	-48	131.4	-172.7	15.9	-33.7	0	0	0	111.9	Y183	P101-Y183 HydrophobicContact CB-CD2 4.06Å
102	W	56.8	Low	59.7	Low	22 Å²	22	45.1 Å²	45.1	8%	0.083	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.3	-177.4	72.9	-96.7	0	0	0	112.7	Q64 A100 S104 P157 R182	Q64-W102 HydrophobicContact CB-CB 3.47Å; Q64-W102 VanDerWaalsContact CB-CB 3.47Å; Q64-W102 HydrophobicContact CG-CB 3.53Å; Q64-W102 HydrophobicContact CG-CD2 4.23Å; Q64-W102 HydrophobicContact CG-CE3 3.98Å; Q64-W102 HydrophobicContact CG-CG 4.12Å; A100-W102 PolarHBondContact O-N 3.25Å; W102-S104 VanDerWaalsContact CZ3-CB 3.49Å; W102-P157 HydrophobicContact CE3-CG 4.18Å; W102-P157 VanDerWaalsContact CH2-CA 3.48Å; W102-P157 HydrophobicContact CH2-CB 3.21Å; W102-P157 HydrophobicContact CH2-CG 3.26Å; W102-P157 HydrophobicContact CZ2-CB 3.56Å; W102-P157 HydrophobicContact CZ2-CG 4.07Å; W102-P157 HydrophobicContact CZ3-CB 3.83Å; W102-P157 HydrophobicContact CZ3-CG 3.36Å; W102-R182 HydrophobicContact CD2-CB 4.07Å; W102-R182 HydrophobicContact CG-CB 4.39Å; W102-R182 HydrophobicContact CZ2-CB 3.63Å; W102-R182 HydrophobicContact CZ2-CG 4.06Å; W102-R182 PolarHBondContact N-O 2.77Å; W102-R182 PolarHBondContact O-N 3.07Å; W102-R182 VanDerWaalsContact O-O 3.07Å
103	Y	56.3	Low	59.8	Low	129 Å²	129	45.2 Å²	45.2	51%	0.506	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.9	-176.5	-57.8	-86	0	0	0	108.3	L63 M181	L63-Y103 CarbonylContact C-O 3.47Å; L63-Y103 VanDerWaalsContact C-O 3.26Å; L63-Y103 PolarHBondContact N-O 3.06Å; L63-Y103 CarbonylContact O-C 3.57Å; L63-Y103 PolarHBondContact O-N 3.21Å; Y103-M181 HydrophobicContact CD1-CG 4Å; Y103-M181 HydrophobicContact CD1-SD 3.97Å; Y103-M181 HydrophobicContact CE1-CG 4.09Å; Y103-M181 HydrophobicContact CE1-SD 3.54Å; Y103-M181 VanDerWaalsContact CE1-SD 3.54Å
104	S	59.6	Low	59.5	Low	12 Å²	12	46.5 Å²	46.5	8%	0.084	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	153.5	175.7	85.3	0	0	0	0	111.5	W102 P157 L179 G180	W102-S104 VanDerWaalsContact CZ3-CB 3.49Å; S104-P157 WeakPolarHBondContact OG-CD 3.42Å; S104-P157 WeakPolarHBondContact OG-CG 3.4Å; S104-L179 WeakPolarHBondContact O-CD1 3.31Å; S104-G180 CarbonylContact C-O 3.6Å; S104-G180 PolarHBondContact N-O 2.86Å; S104-G180 PolarHBondContact O-N 2.94Å; S104-G180 PolarHBondContact OG-O 2.93Å
105	Y	61.6	Low	59.6	Low	120 Å²	120	47.3 Å²	47.3	47%	0.471	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	102.9	-172.1	167.8	-111.7	0	0	0	109.7	N61 H107	N61-Y105 CarbonylContact C-O 3.57Å; N61-Y105 PolarHBondContact N-O 3.3Å; N61-Y105 CarbonylContact O-C 3.53Å; N61-Y105 WeakPolarHBondContact O-CA 3.25Å; N61-Y105 PolarHBondContact O-N 3.25Å; Y105-H107 AromaticContact CD1-ND1 3.92Å; Y105-H107 HydrophobicContact CE1-CB 4.4Å; Y105-H107 AromaticContact CE1-CE1 3.58Å; Y105-H107 AromaticContact CE1-CG 3.94Å; Y105-H107 AromaticContact CE1-ND1 3Å; Y105-H107 WeakPolarHBondContact CE1-ND1 3.05Å; Y105-H107 HydrophobicContact CE2-CB 4.12Å; Y105-H107 AromaticContact CZ-CE1 3.96Å; Y105-H107 AromaticContact CZ-CG 3.65Å; Y105-H107 AromaticContact CZ-ND1 3.2Å; Y105-H107 WeakPolarHBondContact OH-CB 3.26Å; Y105-H107 VanDerWaalsContact OH-CG 3.23Å; Y105-H107 PolarHBondContact OH-ND1 3Å; Y105-H107 VanDerWaalsContact OH-ND1 3.1Å
106	G	61.9	Low	59.8	Low	4 Å²	4	55.4 Å²	55.4	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.6	172.4	0	0	0	0	0	109.7	G178	G106-G178 CarbonylContact C-O 3.26Å; G106-G178 PolarHBondContact N-O 3.18Å; G106-G178 VanDerWaalsContact N-O 3.07Å; G106-G178 CarbonylContact O-C 3.57Å; G106-G178 PolarHBondContact O-N 3.23Å
107	H	62.9	Low	60.2	Low	46 Å²	46	54.2 Å²	54.2	21%	0.213	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.9	166.9	70.5	-81.8	0	0	0	110.7	F59 Y105 V109 Q154	F59-H107 CarbonylContact C-O 3.5Å; F59-H107 AromaticContact CD1-CE1 3.31Å; F59-H107 WeakPolarHBondContact CD1-CE1 3.29Å; F59-H107 AromaticContact CD1-ND1 3.85Å; F59-H107 AromaticContact CE1-CE1 3.83Å; F59-H107 PolarHBondContact O-N 2.87Å; Y105-H107 AromaticContact CD1-ND1 3.92Å; Y105-H107 HydrophobicContact CE1-CB 4.4Å; Y105-H107 AromaticContact CE1-CE1 3.58Å; Y105-H107 AromaticContact CE1-CG 3.94Å; Y105-H107 AromaticContact CE1-ND1 3Å; Y105-H107 WeakPolarHBondContact CE1-ND1 3.05Å; Y105-H107 HydrophobicContact CE2-CB 4.12Å; Y105-H107 AromaticContact CZ-CE1 3.96Å; Y105-H107 AromaticContact CZ-CG 3.65Å; Y105-H107 AromaticContact CZ-ND1 3.2Å; Y105-H107 WeakPolarHBondContact OH-CB 3.26Å; Y105-H107 VanDerWaalsContact OH-CG 3.23Å; Y105-H107 PolarHBondContact OH-ND1 3Å; Y105-H107 VanDerWaalsContact OH-ND1 3.1Å; H107-V109 WeakPolarHBondContact CD2-CG2 2.77Å; H107-V109 WeakPolarHBondContact NE2-CG2 3.3Å; H107-Q154 PolarHBondContact O-NE2 3.44Å
108	F	62.6	Low	60.9	Low	17 Å²	17	61.7 Å²	61.7	8%	0.075	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	105.5	176.4	178.8	-105.4	0	0	0	107.6	T56 H57 Q58 V153 Q154 T176	T56-F108 VanDerWaalsContact CB-CE2 3.41Å; T56-F108 HydrophobicContact CG2-CE1 4.03Å; T56-F108 HydrophobicContact CG2-CE2 4.04Å; T56-F108 HydrophobicContact CG2-CZ 3.38Å; H57-F108 WeakPolarHBondContact O-CD2 2.92Å; H57-F108 WeakPolarHBondContact O-CE2 3.34Å; Q58-F108 HydrophobicContact CB-CD2 4.22Å; Q58-F108 HydrophobicContact CB-CE2 4.47Å; F108-V153 HydrophobicContact CD2-CG1 4.4Å; F108-Q154 HydrophobicContact CB-CG 4.48Å; F108-T176 PolarHBondContact N-O 3.42Å
109	V	59.4	Low	61.7	Low	76 Å²	76	62.5 Å²	62.5	46%	0.461	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	140.3	175.1	-175.2	0	0	0	0	107.9	H57 H107	H57-V109 VanDerWaalsContact O-O 3.07Å; H107-V109 WeakPolarHBondContact CD2-CG2 2.77Å; H107-V109 WeakPolarHBondContact NE2-CG2 3.3Å
110	Q	59.5	Low	62.9	Low	120 Å²	120	65.4 Å²	65.4	56%	0.561	32%	0.324	S	S	*	.			trans	-8.7	128.9	178.8	-164.3	168	8.3	0	0	116.3	V112 H175	Q110-V112 PolarHBondContact O-N 2.92Å; Q110-H175 WeakPolarHBondContact CA-CE1 3.09Å; Q110-H175 VanDerWaalsContact CB-CE1 3.44Å; Q110-H175 WeakPolarHBondContact CB-CE1 3.46Å
111	P	59.9	Low	64.1	Low	7 Å²	7	69.2 Å²	69.2	5%	0.045	34%	0.341	C	S	.	.			trans	-55.3	103.3	163.1	20.8	-27.6	0	0	0	110.4	L55 T56 N113 P172	L55-P111 CarbonylContact O-C 3.57Å; L55-P111 WeakPolarHBondContact O-CA 2.76Å; L55-P111 WeakPolarHBondContact O-CB 3.09Å; T56-P111 HydrophobicContact CG2-CB 3.75Å; P111-N113 PolarHBondContact O-N 3.36Å; P111-P172 HydrophobicContact CB-CB 3.56Å; P111-P172 HydrophobicContact CG-CB 4.02Å; P111-P172 WeakPolarHBondContact CG-O 3.27Å
112	V	57	Low	65.2	Low	64 Å²	64	67.9 Å²	67.9	39%	0.388	33%	0.332	S	S	.	.			trans	-66	122.8	168.2	172.3	0	0	0	0	104.7	L55 H57 Q110 P114	L55-V112 CarbonylContact C-O 3.59Å; L55-V112 WeakPolarHBondContact CA-O 3.49Å; L55-V112 CarbonylContact O-C 3.56Å; L55-V112 PolarHBondContact O-N 2.91Å; L55-V112 VanDerWaalsContact O-N 3.15Å; H57-V112 WeakPolarHBondContact CD2-CB 3.21Å; H57-V112 WeakPolarHBondContact CD2-CG2 3.31Å; H57-V112 VanDerWaalsContact NE2-CB 3.26Å; H57-V112 WeakPolarHBondContact NE2-CB 3.29Å; H57-V112 VanDerWaalsContact NE2-CG2 3.25Å; H57-V112 WeakPolarHBondContact NE2-CG2 3.39Å; Q110-V112 PolarHBondContact O-N 2.92Å; V112-P114 HydrophobicContact CG1-CB 4.48Å; V112-P114 WeakPolarHBondContact O-CD 3.32Å
113	N	64.3	Low	66.2	Low	40 Å²	40	70.7 Å²	70.7	21%	0.214	35%	0.352	C	S	.	.			trans	-95.2	77.3	175.3	177.5	12.3	0	0	0	107.8	P111 L115 K116 L117	P111-N113 PolarHBondContact O-N 3.36Å; N113-L115 PolarHBondContact O-N 2.97Å; N113-L115 VanDerWaalsContact O-N 3.14Å; N113-K116 VanDerWaalsContact ND2-C 3.34Å; N113-K116 PolarHBondContact O-N 3.49Å; N113-K116 PolarHBondContact OD1-N 3.32Å; N113-K116 VanDerWaalsContact OD1-N 3.07Å; N113-L117 PolarHBondContact ND2-N 3Å; N113-L117 PolarHBondContact ND2-O 3.45Å; N113-L117 PolarHBondContact OD1-N 2.98Å
114	P	58.4	Low	67.3	Low	45 Å²	45	72.4 Å²	72.4	29%	0.292	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21	-176.4	30.3	-38.1	0	0	0	111.5	P54 L55 P82 V112 K116	P54-P114 VanDerWaalsContact O-CD 3.28Å; P54-P114 WeakPolarHBondContact O-CD 2.8Å; P54-P114 WeakPolarHBondContact O-CG 3.22Å; L55-P114 HydrophobicContact CD2-CG 4.39Å; P82-P114 HydrophobicContact CG-CB 3.31Å; P82-P114 HydrophobicContact CG-CG 3.53Å; V112-P114 HydrophobicContact CG1-CB 4.48Å; V112-P114 WeakPolarHBondContact O-CD 3.32Å; P114-K116 VanDerWaalsContact C-N 3.27Å
115	L	65.4	Low	68.1	Low	103 Å²	103	73.2 Å²	73.2	54%	0.539	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-4	175.6	-59.7	-176.4	0	0	0	112.8	L55 N113 L117	L55-L115 HydrophobicContact CD2-CB 4.24Å; L55-L115 HydrophobicContact CD2-CD1 4.05Å; L55-L115 HydrophobicContact CD2-CG 4.09Å; N113-L115 PolarHBondContact O-N 2.97Å; N113-L115 VanDerWaalsContact O-N 3.14Å; L115-L117 HydrophobicContact CB-CD1 3.96Å; L115-L117 HydrophobicContact CB-CD2 4.31Å; L115-L117 HydrophobicContact CB-CG 3.7Å; L115-L117 HydrophobicContact CD1-CD1 4.06Å; L115-L117 PolarHBondContact O-N 3.13Å; L115-L117 VanDerWaalsContact O-N 3.15Å
116	K	68.8	Low	68.6	Low	180 Å²	180	72.5 Å²	72.5	78%	0.783	37%	0.371	S	S	*	.			trans	51.8	30.3	-177.6	-60.9	-175.2	178.3	-177.8	0	114.3	N113 P114 R118	N113-K116 VanDerWaalsContact ND2-C 3.34Å; N113-K116 PolarHBondContact O-N 3.49Å; N113-K116 PolarHBondContact OD1-N 3.32Å; N113-K116 VanDerWaalsContact OD1-N 3.07Å; P114-K116 VanDerWaalsContact C-N 3.27Å; K116-R118 PolarHBondContact O-N 2.66Å
117	L	70	Confident	69.2	Low	42 Å²	42	79.6 Å²	79.6	22%	0.22	41%	0.405	C	S	.	.			trans	-65	124.4	178.8	-60.1	171.4	0	0	0	112.6	L55 N113 L115 E121 V122	L55-L117 HydrophobicContact CD1-CD1 4.18Å; L55-L117 HydrophobicContact CD2-CD1 4.37Å; N113-L117 PolarHBondContact ND2-N 3Å; N113-L117 PolarHBondContact ND2-O 3.45Å; N113-L117 PolarHBondContact OD1-N 2.98Å; L115-L117 HydrophobicContact CB-CD1 3.96Å; L115-L117 HydrophobicContact CB-CD2 4.31Å; L115-L117 HydrophobicContact CB-CG 3.7Å; L115-L117 HydrophobicContact CD1-CD1 4.06Å; L115-L117 PolarHBondContact O-N 3.13Å; L115-L117 VanDerWaalsContact O-N 3.15Å; L117-E121 VanDerWaalsContact CA-OE2 3.25Å; L117-E121 WeakPolarHBondContact CA-OE2 3.4Å; L117-E121 HydrophobicContact CB-CB 4.42Å; L117-E121 HydrophobicContact CD2-CB 4.3Å; L117-V122 HydrophobicContact CB-CG2 3.81Å; L117-V122 HydrophobicContact CD1-CG2 4.34Å
118	R	76.6	Confident	69.9	Low	171 Å²	171	80.9 Å²	80.9	65%	0.645	41%	0.414	S	S	*	.			trans	-67	154.8	169.6	-62.1	177.9	179	-174.7	-0.5	110.1	K116 S120 E121 V122	K116-R118 PolarHBondContact O-N 2.66Å; R118-S120 PolarHBondContact O-N 3.17Å; R118-S120 VanDerWaalsContact O-N 3.13Å; R118-E121 HydrophobicContact CB-CB 4.42Å; R118-E121 HydrophobicContact CB-CG 4.07Å; R118-E121 PolarHBondContact N-OE2 3.17Å; R118-E121 WeakPolarHBondContact O-CA 2.95Å; R118-E121 WeakPolarHBondContact O-CB 3.39Å; R118-E121 PolarHBondContact O-N 3.04Å; R118-V122 PolarHBondContact O-N 3.15Å
119	P	75.4	Confident	70.7	Confident	61 Å²	61	84.4 Å²	84.4	40%	0.396	44%	0.438	S	S	.	.	H	α-helix	trans	-51.4	-38.5	173.2	-25.5	32	0	0	0	112.7	E121 V122 V123 F173	P119-E121 VanDerWaalsContact C-N 3.35Å; P119-E121 PolarHBondContact O-N 2.93Å; P119-V122 PolarHBondContact O-N 2.79Å; P119-V123 VanDerWaalsContact O-CG2 3.29Å; P119-V123 WeakPolarHBondContact O-CG2 3.3Å; P119-V123 PolarHBondContact O-N 2.91Å; P119-F173 HydrophobicContact CB-CE2 3.96Å; P119-F173 HydrophobicContact CB-CZ 3.97Å; P119-F173 HydrophobicContact CG-CE1 3.9Å; P119-F173 HydrophobicContact CG-CE2 4.09Å; P119-F173 HydrophobicContact CG-CZ 3.6Å
120	S	79.7	Confident	71.4	Confident	78 Å²	78	85.5 Å²	85.5	55%	0.545	44%	0.439	S	S	.	.	H	α-helix	trans	-65	-33.8	174.9	55	0	0	0	0	113.7	R118 K124	R118-S120 PolarHBondContact O-N 3.17Å; R118-S120 VanDerWaalsContact O-N 3.13Å; S120-K124 VanDerWaalsContact O-CB 3.24Å; S120-K124 WeakPolarHBondContact O-CB 3.26Å; S120-K124 PolarHBondContact O-N 2.86Å
121	E	79.4	Confident	71.8	Confident	83 Å²	83	81.5 Å²	81.5	39%	0.388	42%	0.419	S	S	.	.	H	α-helix	trans	-74.5	-37	176.8	-66.8	171.1	158.8	0	0	111.2	L117 R118 P119 K124 A125	L117-E121 VanDerWaalsContact CA-OE2 3.25Å; L117-E121 WeakPolarHBondContact CA-OE2 3.4Å; L117-E121 HydrophobicContact CB-CB 4.42Å; L117-E121 HydrophobicContact CD2-CB 4.3Å; R118-E121 HydrophobicContact CB-CB 4.42Å; R118-E121 HydrophobicContact CB-CG 4.07Å; R118-E121 PolarHBondContact N-OE2 3.17Å; R118-E121 WeakPolarHBondContact O-CA 2.95Å; R118-E121 WeakPolarHBondContact O-CB 3.39Å; R118-E121 PolarHBondContact O-N 3.04Å; P119-E121 VanDerWaalsContact C-N 3.35Å; P119-E121 PolarHBondContact O-N 2.93Å; E121-K124 PolarHBondContact O-N 2.81Å; E121-A125 WeakPolarHBondContact O-CB 3.36Å; E121-A125 PolarHBondContact O-N 2.83Å
122	V	73.7	Confident	72.1	Confident	5 Å²	5	82.3 Å²	82.3	3%	0.03	43%	0.429	C	S	.	.	H	α-helix	trans	-62.7	-48.8	171.6	177.9	0	0	0	0	110	L117 R118 P119 K124 A125 M126 F169 P172 F173	L117-V122 HydrophobicContact CB-CG2 3.81Å; L117-V122 HydrophobicContact CD1-CG2 4.34Å; R118-V122 PolarHBondContact O-N 3.15Å; P119-V122 PolarHBondContact O-N 2.79Å; V122-K124 VanDerWaalsContact C-N 3.32Å; V122-K124 PolarHBondContact O-N 2.82Å; V122-A125 PolarHBondContact O-N 2.95Å; V122-M126 HydrophobicContact CG1-SD 4.32Å; V122-M126 VanDerWaalsContact O-CG 3.31Å; V122-M126 WeakPolarHBondContact O-CG 3.25Å; V122-M126 PolarHBondContact O-N 2.66Å; V122-F169 HydrophobicContact CG1-CD2 4.44Å; V122-F169 HydrophobicContact CG1-CE2 3.6Å; V122-F169 HydrophobicContact CG1-CZ 3.86Å; V122-P172 HydrophobicContact CG1-CG 4.38Å; V122-P172 HydrophobicContact CG2-CG 3.97Å; V122-F173 HydrophobicContact CB-CE2 4.29Å; V122-F173 HydrophobicContact CG2-CE2 3.98Å; V122-F173 HydrophobicContact CG2-CZ 4.31Å
123	V	77	Confident	72.6	Confident	81 Å²	81	84.1 Å²	84.1	49%	0.491	43%	0.432	S	S	.	.	H	α-helix	trans	-60.1	-43.9	176.2	172.3	0	0	0	0	110.7	P119 A125 M126 M127	P119-V123 VanDerWaalsContact O-CG2 3.29Å; P119-V123 WeakPolarHBondContact O-CG2 3.3Å; P119-V123 PolarHBondContact O-N 2.91Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 2.9Å; V123-M126 PolarHBondContact O-N 3.21Å; V123-M126 VanDerWaalsContact O-N 3.16Å; V123-M127 HydrophobicContact CG1-CG 4.44Å; V123-M127 VanDerWaalsContact O-CG 3.29Å; V123-M127 WeakPolarHBondContact O-CG 3.5Å; V123-M127 PolarHBondContact O-N 2.86Å
124	K	81.3	Confident	72.5	Confident	166 Å²	166	84.2 Å²	84.2	72%	0.722	44%	0.438	S	S	*	.	H	α-helix	trans	-59.8	-42.5	176	-173.1	177.2	-179.2	-179.1	0	112	S120 E121 V122 M127 D128	S120-K124 VanDerWaalsContact O-CB 3.24Å; S120-K124 WeakPolarHBondContact O-CB 3.26Å; S120-K124 PolarHBondContact O-N 2.86Å; E121-K124 PolarHBondContact O-N 2.81Å; V122-K124 VanDerWaalsContact C-N 3.32Å; V122-K124 PolarHBondContact O-N 2.82Å; K124-M127 PolarHBondContact O-N 2.89Å; K124-D128 PolarHBondContact O-N 2.86Å
125	A	75.6	Confident	72.6	Confident	28 Å²	28	86.3 Å²	86.3	23%	0.231	44%	0.44	C	S	.	.	H	α-helix	trans	-65.8	-38.7	175	0	0	0	0	0	112	E121 V122 V123 M127 D128 F131 F169	E121-A125 WeakPolarHBondContact O-CB 3.36Å; E121-A125 PolarHBondContact O-N 2.83Å; V122-A125 PolarHBondContact O-N 2.95Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 2.9Å; A125-M127 VanDerWaalsContact C-N 3.26Å; A125-M127 PolarHBondContact O-N 2.76Å; A125-D128 WeakPolarHBondContact O-CB 3.35Å; A125-D128 PolarHBondContact O-N 2.92Å; A125-F131 WeakPolarHBondContact O-CB 3.36Å; A125-F131 WeakPolarHBondContact O-CD1 3.46Å; A125-F131 WeakPolarHBondContact O-CG 3.26Å; A125-F169 HydrophobicContact CB-CE1 3.96Å; A125-F169 HydrophobicContact CB-CZ 4.15Å
126	M	71.2	Confident	72.3	Confident	105 Å²	105	85.7 Å²	85.7	52%	0.517	44%	0.438	S	S	.	.	H	α-helix	trans	-64.9	-31.5	175.8	-68.6	-178.1	77.1	0	0	112.8	V122 V123 D128 F169	V122-M126 HydrophobicContact CG1-SD 4.32Å; V122-M126 VanDerWaalsContact O-CG 3.31Å; V122-M126 WeakPolarHBondContact O-CG 3.25Å; V122-M126 PolarHBondContact O-N 2.66Å; V123-M126 PolarHBondContact O-N 3.21Å; V123-M126 VanDerWaalsContact O-N 3.16Å; M126-D128 VanDerWaalsContact C-N 3.33Å; M126-F169 HydrophobicContact CG-CE2 3.65Å; M126-F169 HydrophobicContact CG-CZ 3.53Å; M126-F169 HydrophobicContact SD-CE2 4.12Å
127	M	76.1	Confident	71.7	Confident	153 Å²	153	83.9 Å²	83.9	75%	0.754	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.1	176.9	-65.4	-62.3	-148.3	0	0	113.3	V123 K124 A125	V123-M127 HydrophobicContact CG1-CG 4.44Å; V123-M127 VanDerWaalsContact O-CG 3.29Å; V123-M127 WeakPolarHBondContact O-CG 3.5Å; V123-M127 PolarHBondContact O-N 2.86Å; K124-M127 PolarHBondContact O-N 2.89Å; A125-M127 VanDerWaalsContact C-N 3.26Å; A125-M127 PolarHBondContact O-N 2.76Å
128	D	77.2	Confident	70.8	Confident	74 Å²	74	87.1 Å²	87.1	40%	0.396	44%	0.439	S	S	.	.			trans	-70.2	125.7	-179.2	-170.4	-36.5	0	0	0	110.4	K124 A125 M126 E130 F131 G132	K124-D128 PolarHBondContact O-N 2.86Å; A125-D128 WeakPolarHBondContact O-CB 3.35Å; A125-D128 PolarHBondContact O-N 2.92Å; M126-D128 VanDerWaalsContact C-N 3.33Å; D128-E130 PolarHBondContact O-N 2.91Å; D128-E130 WeakPolarHBondContact OD1-CB 3.31Å; D128-E130 PolarHBondContact OD1-N 2.66Å; D128-F131 HydrophobicContact CB-CB 3.93Å; D128-F131 WeakPolarHBondContact O-CA 3.17Å; D128-F131 VanDerWaalsContact O-CB 3.29Å; D128-F131 WeakPolarHBondContact O-CB 3.41Å; D128-F131 PolarHBondContact O-N 3.14Å; D128-G132 PolarHBondContact O-N 2.03Å
129	P	79.1	Confident	69.2	Low	90 Å²	90	82.1 Å²	82.1	58%	0.584	43%	0.428	S	S	*	.	H	α-helix	trans	-60.8	-30.5	178.2	25	-34.9	0	0	0	113.2	F131 G132 K133	P129-F131 VanDerWaalsContact C-N 3.33Å; P129-G132 PolarHBondContact O-N 3.01Å; P129-K133 VanDerWaalsContact O-CG 3.31Å; P129-K133 WeakPolarHBondContact O-CG 3.43Å; P129-K133 PolarHBondContact O-N 3Å
130	E	73.4	Confident	67.5	Low	100 Å²	100	82.8 Å²	82.8	47%	0.467	44%	0.438	S	S	.	.	H	α-helix	trans	-68.8	-35.9	174.9	-68.4	-53.5	130.2	0	0	111.4	D128 K133 A134	D128-E130 PolarHBondContact O-N 2.91Å; D128-E130 WeakPolarHBondContact OD1-CB 3.31Å; D128-E130 PolarHBondContact OD1-N 2.66Å; E130-K133 PolarHBondContact O-N 3.15Å; E130-K133 IonicContact OE1-NZ 2.7Å; E130-K133 PolarHBondContact OE1-NZ 3.36Å; E130-A134 WeakPolarHBondContact O-CB 3.44Å; E130-A134 PolarHBondContact O-N 2.83Å
131	F	68.1	Low	65.8	Low	35 Å²	35	86.3 Å²	86.3	15%	0.154	45%	0.446	C	S	.	.	H	α-helix	trans	-66.9	-41.6	173.3	-164.4	-91.2	0	0	0	111.5	A125 D128 P129 K133 A134 R135 P168 F169	A125-F131 WeakPolarHBondContact O-CB 3.36Å; A125-F131 WeakPolarHBondContact O-CD1 3.46Å; A125-F131 WeakPolarHBondContact O-CG 3.26Å; D128-F131 HydrophobicContact CB-CB 3.93Å; D128-F131 WeakPolarHBondContact O-CA 3.17Å; D128-F131 VanDerWaalsContact O-CB 3.29Å; D128-F131 WeakPolarHBondContact O-CB 3.41Å; D128-F131 PolarHBondContact O-N 3.14Å; P129-F131 VanDerWaalsContact C-N 3.33Å; F131-K133 PolarHBondContact O-N 2.81Å; F131-A134 PolarHBondContact O-N 2.83Å; F131-R135 VanDerWaalsContact O-CB 3.23Å; F131-R135 WeakPolarHBondContact O-CB 3.02Å; F131-R135 PolarHBondContact O-N 2.86Å; F131-P168 HydrophobicContact CD2-CG 3.98Å; F131-P168 HydrophobicContact CE1-CG 4.01Å; F131-P168 HydrophobicContact CE2-CG 3.19Å; F131-P168 HydrophobicContact CZ-CG 3.19Å; F131-F169 HydrophobicContact CD2-CE1 4.11Å; F131-F169 HydrophobicContact CE1-CD1 4.31Å; F131-F169 AromaticContact CE1-CE1 3.8Å; F131-F169 HydrophobicContact CE1-CE1 3.8Å; F131-F169 HydrophobicContact CE1-CE2 4.46Å; F131-F169 AromaticContact CE1-CZ 3.86Å; F131-F169 HydrophobicContact CE1-CZ 3.86Å; F131-F169 AromaticContact CE2-CD1 3.37Å; F131-F169 HydrophobicContact CE2-CD1 3.37Å; F131-F169 AromaticContact CE2-CE1 3.09Å; F131-F169 HydrophobicContact CE2-CE1 3.09Å; F131-F169 HydrophobicContact CE2-CG 4.45Å; F131-F169 AromaticContact CE2-CZ 3.99Å; F131-F169 HydrophobicContact CE2-CZ 3.99Å; F131-F169 AromaticContact CZ-CD1 3.15Å; F131-F169 HydrophobicContact CZ-CD1 3.15Å; F131-F169 HydrophobicContact CZ-CD2 4.3Å; F131-F169 AromaticContact CZ-CE1 2.91Å; F131-F169 HydrophobicContact CZ-CE1 2.91Å; F131-F169 HydrophobicContact CZ-CE2 4.1Å; F131-F169 AromaticContact CZ-CG 3.86Å; F131-F169 HydrophobicContact CZ-CG 3.86Å; F131-F169 AromaticContact CZ-CZ 3.42Å; F131-F169 HydrophobicContact CZ-CZ 3.42Å; F131-F169 VanDerWaalsContact CZ-CZ 3.42Å
132	G	67.1	Low	63.8	Low	25 Å²	25	88.7 Å²	88.7	26%	0.258	47%	0.469	S	S	.	.	H	α-helix	trans	-59.8	-42.4	171.5	0	0	0	0	0	112.8	D128 P129 R135 N136	D128-G132 PolarHBondContact O-N 2.03Å; P129-G132 PolarHBondContact O-N 3.01Å; G132-R135 WeakPolarHBondContact O-CB 3.3Å; G132-R135 PolarHBondContact O-N 2.87Å; G132-N136 WeakPolarHBondContact O-CB 2.83Å; G132-N136 VanDerWaalsContact O-CG 3.31Å; G132-N136 PolarHBondContact O-N 2.82Å; G132-N136 PolarHBondContact O-ND2 3.18Å
133	K	66.9	Low	62.1	Low	101 Å²	101	93 Å²	93	44%	0.439	50%	0.499	S	S	.	.	H	α-helix	trans	-63.5	-45.8	173.1	-72.6	170.9	-168.9	169.8	0	111.3	P129 E130 F131 R135 N136 K137	P129-K133 VanDerWaalsContact O-CG 3.31Å; P129-K133 WeakPolarHBondContact O-CG 3.43Å; P129-K133 PolarHBondContact O-N 3Å; E130-K133 PolarHBondContact O-N 3.15Å; E130-K133 IonicContact OE1-NZ 2.7Å; E130-K133 PolarHBondContact OE1-NZ 3.36Å; F131-K133 PolarHBondContact O-N 2.81Å; K133-R135 VanDerWaalsContact C-N 3.3Å; K133-R135 PolarHBondContact O-N 2.77Å; K133-N136 PolarHBondContact O-N 2.81Å; K133-N136 VanDerWaalsContact O-N 3.15Å; K133-K137 VanDerWaalsContact O-CB 3.23Å; K133-K137 WeakPolarHBondContact O-CB 3.48Å; K133-K137 WeakPolarHBondContact O-CG 2.85Å; K133-K137 PolarHBondContact O-N 2.97Å
134	A	62.8	Low	60.3	Low	43 Å²	43	95.7 Å²	95.7	36%	0.355	50%	0.5	S	S	.	.	H	α-helix	trans	-61.6	-39.7	177.6	0	0	0	0	0	112.2	E130 F131 N136	E130-A134 WeakPolarHBondContact O-CB 3.44Å; E130-A134 PolarHBondContact O-N 2.83Å; F131-A134 PolarHBondContact O-N 2.83Å; A134-N136 VanDerWaalsContact C-N 3.3Å; A134-N136 PolarHBondContact O-N 2.85Å
135	R	60.2	Low	57.9	Low	88 Å²	88	94.1 Å²	94.1	33%	0.332	50%	0.504	S	S	.	.	H	α-helix	trans	-62.7	-33.1	174.4	179.4	172.7	-179.4	94.3	-6.7	112.6	F131 G132 K133 K166 P167	F131-R135 VanDerWaalsContact O-CB 3.23Å; F131-R135 WeakPolarHBondContact O-CB 3.02Å; F131-R135 PolarHBondContact O-N 2.86Å; G132-R135 WeakPolarHBondContact O-CB 3.3Å; G132-R135 PolarHBondContact O-N 2.87Å; K133-R135 VanDerWaalsContact C-N 3.3Å; K133-R135 PolarHBondContact O-N 2.77Å; R135-K166 HydrophobicContact CG-CD 3.73Å; R135-K166 HydrophobicContact CG-CG 3.91Å; R135-K166 PolarHBondContact NH1-O 3.06Å; R135-K166 WeakPolarHBondContact O-CE 3.09Å; R135-P167 WeakPolarHBondContact CG-O 3.36Å
136	N	59.9	Low	55.7	Low	91 Å²	91	100.4 Å²	100.4	49%	0.487	53%	0.533	S	S	.	.	H	α-helix	trans	-96.6	-28.3	-178.5	-67.6	-19.9	0	0	0	113.9	G132 K133 A134 R138 T139 K166	G132-N136 WeakPolarHBondContact O-CB 2.83Å; G132-N136 VanDerWaalsContact O-CG 3.31Å; G132-N136 PolarHBondContact O-N 2.82Å; G132-N136 PolarHBondContact O-ND2 3.18Å; K133-N136 PolarHBondContact O-N 2.81Å; K133-N136 VanDerWaalsContact O-N 3.15Å; A134-N136 VanDerWaalsContact C-N 3.3Å; A134-N136 PolarHBondContact O-N 2.85Å; N136-R138 PolarHBondContact O-N 3.23Å; N136-T139 WeakPolarHBondContact O-CB 3.19Å; N136-T139 PolarHBondContact O-N 3.39Å; N136-K166 PolarHBondContact OD1-NZ 2.92Å
137	K	55.3	Low	53.9	Low	142 Å²	142	102.5 Å²	102.5	62%	0.617	54%	0.542	S	S	*	.	H	α-helix	trans	-59	-33.7	178.7	-84.9	174.6	178.1	-179.6	0	111.9	K133 T139 A140	K133-K137 VanDerWaalsContact O-CB 3.23Å; K133-K137 WeakPolarHBondContact O-CB 3.48Å; K133-K137 WeakPolarHBondContact O-CG 2.85Å; K133-K137 PolarHBondContact O-N 2.97Å; K137-T139 VanDerWaalsContact C-N 3.26Å; K137-T139 PolarHBondContact O-N 2.8Å; K137-A140 PolarHBondContact O-N 3.08Å
138	R	50.4	Low	52.2	Low	110 Å²	110	99.3 Å²	99.3	42%	0.415	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16	175.8	-67	-167.5	-175	-144.7	2.4	114.2	N136	N136-R138 PolarHBondContact O-N 3.23Å
139	T	44	Very low	50.8	Low	66 Å²	66	99.8 Å²	99.8	41%	0.405	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-15.4	179.3	-44.9	0	0	0	0	112.4	N136 K137 T149	N136-T139 WeakPolarHBondContact O-CB 3.19Å; N136-T139 PolarHBondContact O-N 3.39Å; K137-T139 VanDerWaalsContact C-N 3.26Å; K137-T139 PolarHBondContact O-N 2.8Å; T139-T149 HydrophobicContact CG2-CG2 3.89Å
140	A	40.3	Very low	49.6	Very low	74 Å²	74	100.1 Å²	100.1	61%	0.612	53%	0.526	S	S	*	.			trans	-102.5	1.4	-169.1	0	0	0	0	0	115	K137 P142	K137-A140 PolarHBondContact O-N 3.08Å; A140-P142 WeakPolarHBondContact O-CD 3.1Å; A140-P142 WeakPolarHBondContact O-CG 3.16Å
141	E	42.5	Very low	48.6	Very low	153 Å²	153	96.6 Å²	96.6	72%	0.715	51%	0.511	S	S	*	.			trans	-79.4	108.1	-179.7	-125.2	176.3	-172.8	0	0	110.6	S143	E141-S143 VanDerWaalsContact C-N 3.29Å; E141-S143 PolarHBondContact O-N 2.93Å; E141-S143 VanDerWaalsContact O-N 3.16Å
142	P	37.4	Very low	48.1	Very low	133 Å²	133	96.3 Å²	96.3	86%	0.864	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	9.7	-162.4	-8.2	26.8	0	0	0	115.1	A140	A140-P142 WeakPolarHBondContact O-CD 3.1Å; A140-P142 WeakPolarHBondContact O-CG 3.16Å
143	S	39	Very low	47.7	Very low	94 Å²	94	95.3 Å²	95.3	66%	0.657	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	15.7	-162.2	70.3	0	0	0	0	116.5	E141	E141-S143 VanDerWaalsContact C-N 3.29Å; E141-S143 PolarHBondContact O-N 2.93Å; E141-S143 VanDerWaalsContact O-N 3.16Å
144	R	37.9	Very low	47.3	Very low	139 Å²	139	90.9 Å²	90.9	53%	0.525	48%	0.483	S	S	.	.	S	Bend	trans	-143.6	119.8	165.7	-77.7	-168.7	178.7	-172.5	-5.7	110.6	R44 L146	R44-R144 VanDerWaalsContact NH1-NE 3.2Å; R144-L146 PolarHBondContact O-N 2.88Å; R144-L146 VanDerWaalsContact O-N 3.1Å
145	T	31.1	Very low	47.2	Very low	132 Å²	132	91.2 Å²	91.2	81%	0.81	48%	0.479	S	S	*	.			trans	-18.2	101.9	167.9	-34.8	0	0	0	0	113.8	Q147	T145-Q147 PolarHBondContact O-N 3.34Å
146	L	29.5	Very low	47.1	Very low	160 Å²	160	87.2 Å²	87.2	84%	0.838	46%	0.464	S	S	*	.	S	Bend	trans	32.6	74.5	147.2	-69	160.5	0	0	0	117.5	R144	R144-L146 PolarHBondContact O-N 2.88Å; R144-L146 VanDerWaalsContact O-N 3.1Å
147	Q	34.1	Very low	46.7	Very low	149 Å²	149	83 Å²	83	70%	0.696	44%	0.442	S	S	*	.			trans	-160.5	26.4	164.3	-131.9	124.5	24.5	0	0	120.3	T145	T145-Q147 PolarHBondContact O-N 3.34Å
148	F	39.6	Very low	46.4	Very low	86 Å²	86	77.7 Å²	77.7	38%	0.377	43%	0.427	S	S	.	.			trans	-144.9	67.5	178.3	-61.6	-79.6	0	0	0	115.1	F49	F49-F148 HydrophobicContact CB-CE1 4.17Å; F49-F148 HydrophobicContact CB-CE2 4.46Å; F49-F148 HydrophobicContact CB-CZ 3.8Å; F49-F148 HydrophobicContact CD1-CD1 4.25Å; F49-F148 AromaticContact CD1-CD2 3.57Å; F49-F148 HydrophobicContact CD1-CD2 3.57Å; F49-F148 AromaticContact CD1-CE1 3.87Å; F49-F148 HydrophobicContact CD1-CE1 3.87Å; F49-F148 AromaticContact CD1-CE2 3.12Å; F49-F148 HydrophobicContact CD1-CE2 3.12Å; F49-F148 HydrophobicContact CD1-CG 4.14Å; F49-F148 AromaticContact CD1-CZ 3.3Å; F49-F148 HydrophobicContact CD1-CZ 3.3Å; F49-F148 AromaticContact CE1-CD2 3.68Å; F49-F148 HydrophobicContact CE1-CD2 3.68Å; F49-F148 AromaticContact CE1-CE2 3.53Å; F49-F148 HydrophobicContact CE1-CE2 3.53Å; F49-F148 HydrophobicContact CE1-CG 4.46Å; F49-F148 HydrophobicContact CE1-CZ 4.18Å; F49-F148 HydrophobicContact CG-CE2 4.08Å; F49-F148 AromaticContact CG-CZ 3.92Å; F49-F148 HydrophobicContact CG-CZ 3.92Å; F49-F148 WeakPolarHBondContact O-CE1 3.25Å
149	T	48.8	Very low	46.6	Very low	85 Å²	85	76.3 Å²	76.3	52%	0.521	43%	0.428	S	S	.	.	S	Bend	trans	-109.5	-26	169.9	-37.1	0	0	0	0	112.4	T139	T139-T149 HydrophobicContact CG2-CG2 3.89Å
150	I	52.5	Low	47.2	Very low	97 Å²	97	77.7 Å²	77.7	50%	0.497	43%	0.426	S	S	.	.	S	Bend	trans	-155.4	133.4	-178	-58.9	-179.7	0	0	0	103.9	Y164	I150-Y164 HydrophobicContact CB-CD1 4.48Å; I150-Y164 HydrophobicContact CG2-CD1 3.44Å; I150-Y164 VanDerWaalsContact CG2-CD1 3.44Å; I150-Y164 HydrophobicContact CG2-CG 3.68Å
151	T	54.5	Low	48.4	Very low	25 Å²	25	75.4 Å²	75.4	15%	0.153	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.3	173.1	-37.1	0	0	0	0	111.7	P51 C165	P51-T151 HydrophobicContact CB-CG2 4.11Å; P51-T151 HydrophobicContact CG-CG2 3.33Å; T151-C165 PolarHBondContact N-O 3.19Å; T151-C165 PolarHBondContact O-N 2.99Å
152	S	56.4	Low	49.2	Very low	29 Å²	29	69.2 Å²	69.2	20%	0.203	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	130.7	174.3	57.6	0	0	0	0	111	D161 V163	S152-D161 VanDerWaalsContact CB-CB 3.45Å; S152-D161 WeakPolarHBondContact CB-OD2 3.3Å; S152-D161 PolarHBondContact OG-OD2 2.82Å; S152-V163 WeakPolarHBondContact CA-O 3.41Å
153	V	59.2	Low	50.4	Low	5 Å²	5	64 Å²	64	3%	0.03	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-28.4	174.5	-167.2	0	0	0	0	109.5	F53 Q58 F108 V163 C165	F53-V153 HydrophobicContact CD2-CG1 3.96Å; F53-V153 HydrophobicContact CD2-CG2 4.33Å; F53-V153 HydrophobicContact CE2-CB 3.93Å; F53-V153 HydrophobicContact CE2-CG1 3.78Å; F53-V153 HydrophobicContact CE2-CG2 3.48Å; F53-V153 VanDerWaalsContact CE2-CG2 3.48Å; F53-V153 HydrophobicContact CZ-CG2 3.64Å; Q58-V153 PolarHBondContact NE2-O 3.3Å; Q58-V153 PolarHBondContact OE1-O 2.84Å; F108-V153 HydrophobicContact CD2-CG1 4.4Å; V153-V163 HydrophobicContact CB-CB 3.97Å; V153-V163 HydrophobicContact CB-CG1 3.81Å; V153-V163 HydrophobicContact CG2-CB 4.07Å; V153-V163 HydrophobicContact CG2-CG1 3.47Å; V153-V163 VanDerWaalsContact CG2-CG1 3.47Å; V153-V163 PolarHBondContact N-O 2.75Å; V153-C165 HydrophobicContact CG2-CB 3.69Å
154	Q	58.9	Low	51.6	Low	8 Å²	8	66.2 Å²	66.2	4%	0.037	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	141.7	-177.5	-70.8	-70.1	1	0	0	109	H107 F108 D161	H107-Q154 PolarHBondContact O-NE2 3.44Å; F108-Q154 HydrophobicContact CB-CG 4.48Å; Q154-D161 WeakPolarHBondContact O-CA 3.44Å; Q154-D161 VanDerWaalsContact O-OD1 3.1Å
155	N	59.2	Low	52.8	Low	50 Å²	50	60.3 Å²	60.3	27%	0.267	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118.8	172.3	176.8	-51.7	0	0	0	108	D159 D161	N155-D159 PolarHBondContact ND2-OD1 2.85Å; N155-D161 WeakPolarHBondContact CA-OD1 3.29Å; N155-D161 WeakPolarHBondContact CB-OD1 3.49Å
156	L	58.1	Low	54.3	Low	4 Å²	4	56 Å²	56	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	168.6	172.5	-71.5	169.1	0	0	0	109.5	D159 W160 P162 G178	L156-D159 PolarHBondContact O-N 3.05Å; L156-W160 WeakPolarHBondContact CA-O 3.39Å; L156-W160 HydrophobicContact CB-CE3 3.99Å; L156-W160 VanDerWaalsContact CB-O 3.29Å; L156-W160 WeakPolarHBondContact CB-O 3.19Å; L156-W160 HydrophobicContact CD1-CE3 3.33Å; L156-W160 HydrophobicContact CD1-CZ3 3.36Å; L156-W160 HydrophobicContact CG-CE3 4.29Å; L156-W160 PolarHBondContact N-O 3.25Å; L156-W160 PolarHBondContact O-N 2.74Å; L156-W160 VanDerWaalsContact O-N 3.07Å; L156-P162 HydrophobicContact CD1-CB 4.49Å; L156-P162 HydrophobicContact CD1-CG 3.64Å; L156-P162 HydrophobicContact CG-CG 4.36Å; L156-G178 WeakPolarHBondContact CD2-O 3.05Å
157	P	52.2	Low	55.7	Low	3 Å²	3	49.3 Å²	49.3	2%	0.019	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	140.8	-178.5	-32.5	41.5	0	0	0	114.4	W102 S104 D159 G180 R182 S228	W102-P157 HydrophobicContact CE3-CG 4.18Å; W102-P157 VanDerWaalsContact CH2-CA 3.48Å; W102-P157 HydrophobicContact CH2-CB 3.21Å; W102-P157 HydrophobicContact CH2-CG 3.26Å; W102-P157 HydrophobicContact CZ2-CB 3.56Å; W102-P157 HydrophobicContact CZ2-CG 4.07Å; W102-P157 HydrophobicContact CZ3-CB 3.83Å; W102-P157 HydrophobicContact CZ3-CG 3.36Å; S104-P157 WeakPolarHBondContact OG-CD 3.42Å; S104-P157 WeakPolarHBondContact OG-CG 3.4Å; P157-D159 VanDerWaalsContact C-N 3.34Å; P157-G180 VanDerWaalsContact CG-C 3.45Å; P157-R182 HydrophobicContact CB-CB 4.2Å; P157-S228 PolarHBondContact O-OG 3.25Å
158	G	48.8	Very low	56.8	Low	29 Å²	29	44.1 Å²	44.1	30%	0.299	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	23.3	-174.5	0	0	0	0	0	113	W160	G158-W160 PolarHBondContact O-N 2.82Å
159	D	55.5	Low	57.9	Low	81 Å²	81	41.1 Å²	41.1	43%	0.433	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	36.1	-173.6	-61.2	-53.7	0	0	0	112.5	N155 L156 P157 D161	N155-D159 PolarHBondContact ND2-OD1 2.85Å; L156-D159 PolarHBondContact O-N 3.05Å; P157-D159 VanDerWaalsContact C-N 3.34Å; D159-D161 PolarHBondContact O-N 2.78Å
160	W	55	Low	58.5	Low	96 Å²	96	37.6 Å²	37.6	36%	0.364	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	110.8	175.3	-172	70	0	0	0	108.8	L156 G158 P162 H230	L156-W160 WeakPolarHBondContact CA-O 3.39Å; L156-W160 HydrophobicContact CB-CE3 3.99Å; L156-W160 VanDerWaalsContact CB-O 3.29Å; L156-W160 WeakPolarHBondContact CB-O 3.19Å; L156-W160 HydrophobicContact CD1-CE3 3.33Å; L156-W160 HydrophobicContact CD1-CZ3 3.36Å; L156-W160 HydrophobicContact CG-CE3 4.29Å; L156-W160 PolarHBondContact N-O 3.25Å; L156-W160 PolarHBondContact O-N 2.74Å; L156-W160 VanDerWaalsContact O-N 3.07Å; G158-W160 PolarHBondContact O-N 2.82Å; W160-P162 HydrophobicContact CD2-CB 4.45Å; W160-P162 HydrophobicContact CE3-CB 3.97Å; W160-P162 HydrophobicContact CE3-CG 4.15Å; W160-P162 HydrophobicContact CH2-CB 3.71Å; W160-P162 HydrophobicContact CZ2-CB 4.08Å; W160-P162 HydrophobicContact CZ3-CB 3.6Å; W160-P162 HydrophobicContact CZ3-CG 4.01Å; W160-P162 WeakPolarHBondContact O-CD 3.34Å; W160-H230 HydrophobicContact CH2-CB 3.14Å; W160-H230 HydrophobicContact CZ2-CB 4.21Å; W160-H230 HydrophobicContact CZ3-CB 3.51Å
161	D	65.4	Low	59	Low	26 Å²	26	37 Å²	37	14%	0.139	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	99	-179.2	-72.3	-17.9	0	0	0	108.8	S152 Q154 N155 D159 Y164	S152-D161 VanDerWaalsContact CB-CB 3.45Å; S152-D161 WeakPolarHBondContact CB-OD2 3.3Å; S152-D161 PolarHBondContact OG-OD2 2.82Å; Q154-D161 WeakPolarHBondContact O-CA 3.44Å; Q154-D161 VanDerWaalsContact O-OD1 3.1Å; N155-D161 WeakPolarHBondContact CA-OD1 3.29Å; N155-D161 WeakPolarHBondContact CB-OD1 3.49Å; D159-D161 PolarHBondContact O-N 2.78Å; D161-Y164 HydrophobicContact CB-CE1 3.87Å; D161-Y164 HydrophobicContact CB-CE2 4.37Å; D161-Y164 WeakPolarHBondContact CB-OH 3.26Å; D161-Y164 WeakPolarHBondContact O-CE2 3.47Å; D161-Y164 PolarHBondContact O-OH 2.92Å
162	P	59.6	Low	59.3	Low	23 Å²	23	36 Å²	36	15%	0.149	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-25	-175.4	30.5	-38.4	0	0	0	114	L156 W160 H230	L156-P162 HydrophobicContact CD1-CB 4.49Å; L156-P162 HydrophobicContact CD1-CG 3.64Å; L156-P162 HydrophobicContact CG-CG 4.36Å; W160-P162 HydrophobicContact CD2-CB 4.45Å; W160-P162 HydrophobicContact CE3-CB 3.97Å; W160-P162 HydrophobicContact CE3-CG 4.15Å; W160-P162 HydrophobicContact CH2-CB 3.71Å; W160-P162 HydrophobicContact CZ2-CB 4.08Å; W160-P162 HydrophobicContact CZ3-CB 3.6Å; W160-P162 HydrophobicContact CZ3-CG 4.01Å; W160-P162 WeakPolarHBondContact O-CD 3.34Å; P162-H230 HydrophobicContact CB-CB 3.53Å; P162-H230 VanDerWaalsContact CB-CG 3.4Å; P162-H230 HydrophobicContact CG-CB 4.31Å
163	V	63.8	Low	59.6	Low	23 Å²	23	37.5 Å²	37.5	14%	0.139	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.1	-175.9	-172	0	0	0	0	108.6	S152 V153 T176 H230	S152-V163 WeakPolarHBondContact CA-O 3.41Å; V153-V163 HydrophobicContact CB-CB 3.97Å; V153-V163 HydrophobicContact CB-CG1 3.81Å; V153-V163 HydrophobicContact CG2-CB 4.07Å; V153-V163 HydrophobicContact CG2-CG1 3.47Å; V153-V163 VanDerWaalsContact CG2-CG1 3.47Å; V153-V163 PolarHBondContact N-O 2.75Å; V163-T176 HydrophobicContact CG2-CG2 3.75Å; V163-T176 WeakPolarHBondContact CG2-OG1 3.18Å; V163-H230 VanDerWaalsContact CG2-NE2 3.3Å; V163-H230 WeakPolarHBondContact CG2-NE2 3.42Å
164	Y	64.3	Low	59.9	Low	141 Å²	141	39.7 Å²	39.7	55%	0.553	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.2	-178	-80.7	-61.8	0	0	0	109.8	I150 D161	I150-Y164 HydrophobicContact CB-CD1 4.48Å; I150-Y164 HydrophobicContact CG2-CD1 3.44Å; I150-Y164 VanDerWaalsContact CG2-CD1 3.44Å; I150-Y164 HydrophobicContact CG2-CG 3.68Å; D161-Y164 HydrophobicContact CB-CE1 3.87Å; D161-Y164 HydrophobicContact CB-CE2 4.37Å; D161-Y164 WeakPolarHBondContact CB-OH 3.26Å; D161-Y164 WeakPolarHBondContact O-CE2 3.47Å; D161-Y164 PolarHBondContact O-OH 2.92Å
165	C	62.8	Low	60.3	Low	14 Å²	14	42.9 Å²	42.9	10%	0.095	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	136.2	-174.6	-168.8	0	0	0	0	111.5	F53 T151 V153 C170	F53-C165 HydrophobicContact CE1-CB 3.54Å; F53-C165 WeakPolarHBondContact CE1-SG 3.41Å; F53-C165 HydrophobicContact CZ-CB 3.45Å; F53-C165 VanDerWaalsContact CZ-CB 3.45Å; T151-C165 PolarHBondContact N-O 3.19Å; T151-C165 PolarHBondContact O-N 2.99Å; V153-C165 HydrophobicContact CG2-CB 3.69Å; C165-C170 HydrophobicContact CB-CB 4.39Å; C165-C170 WeakPolarHBondContact CB-SG 3.29Å; C165-C170 WeakPolarHBondContact SG-CA 3.26Å; C165-C170 WeakPolarHBondContact SG-CB 3.31Å; C165-C170 CovalentContact SG-SG 2.03Å; C165-C170 PolarHBondContact SG-SG 2.61Å
166	K	62.9	Low	60.8	Low	43 Å²	43	41.1 Å²	41.1	19%	0.187	21%	0.211	C	C	.	.			trans	-97.4	126.8	-179.8	-179.8	173	-178.2	-167.6	0	108.5	R135 N136	R135-K166 HydrophobicContact CG-CD 3.73Å; R135-K166 HydrophobicContact CG-CG 3.91Å; R135-K166 PolarHBondContact NH1-O 3.06Å; R135-K166 WeakPolarHBondContact O-CE 3.09Å; N136-K166 PolarHBondContact OD1-NZ 2.92Å
167	P	58.7	Low	61.5	Low	19 Å²	19	46.2 Å²	46.2	12%	0.123	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	157.4	176.3	-28.4	35.4	0	0	0	113	R135	R135-P167 WeakPolarHBondContact CG-O 3.36Å
168	P	57.4	Low	62.3	Low	40 Å²	40	46.5 Å²	46.5	26%	0.26	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	cis	-100	-2.7	11.3	38.7	-38.9	0	0	0	117	Q52 F131	Q52-P168 VanDerWaalsContact O-O 3.07Å; F131-P168 HydrophobicContact CD2-CG 3.98Å; F131-P168 HydrophobicContact CE1-CG 4.01Å; F131-P168 HydrophobicContact CE2-CG 3.19Å; F131-P168 HydrophobicContact CZ-CG 3.19Å
169	F	61.6	Low	63.4	Low	23 Å²	23	50.1 Å²	50.1	10%	0.101	25%	0.252	C	S	.	.			trans	-139.4	153.1	166.4	60.5	-114.9	0	0	0	111.9	L55 V122 A125 M126 F131	L55-F169 HydrophobicContact CD1-CB 4.17Å; L55-F169 HydrophobicContact CD1-CG 4.38Å; V122-F169 HydrophobicContact CG1-CD2 4.44Å; V122-F169 HydrophobicContact CG1-CE2 3.6Å; V122-F169 HydrophobicContact CG1-CZ 3.86Å; A125-F169 HydrophobicContact CB-CE1 3.96Å; A125-F169 HydrophobicContact CB-CZ 4.15Å; M126-F169 HydrophobicContact CG-CE2 3.65Å; M126-F169 HydrophobicContact CG-CZ 3.53Å; M126-F169 HydrophobicContact SD-CE2 4.12Å; F131-F169 HydrophobicContact CD2-CE1 4.11Å; F131-F169 HydrophobicContact CE1-CD1 4.31Å; F131-F169 AromaticContact CE1-CE1 3.8Å; F131-F169 HydrophobicContact CE1-CE1 3.8Å; F131-F169 HydrophobicContact CE1-CE2 4.46Å; F131-F169 AromaticContact CE1-CZ 3.86Å; F131-F169 HydrophobicContact CE1-CZ 3.86Å; F131-F169 AromaticContact CE2-CD1 3.37Å; F131-F169 HydrophobicContact CE2-CD1 3.37Å; F131-F169 AromaticContact CE2-CE1 3.09Å; F131-F169 HydrophobicContact CE2-CE1 3.09Å; F131-F169 HydrophobicContact CE2-CG 4.45Å; F131-F169 AromaticContact CE2-CZ 3.99Å; F131-F169 HydrophobicContact CE2-CZ 3.99Å; F131-F169 AromaticContact CZ-CD1 3.15Å; F131-F169 HydrophobicContact CZ-CD1 3.15Å; F131-F169 HydrophobicContact CZ-CD2 4.3Å; F131-F169 AromaticContact CZ-CE1 2.91Å; F131-F169 HydrophobicContact CZ-CE1 2.91Å; F131-F169 HydrophobicContact CZ-CE2 4.1Å; F131-F169 AromaticContact CZ-CG 3.86Å; F131-F169 HydrophobicContact CZ-CG 3.86Å; F131-F169 AromaticContact CZ-CZ 3.42Å; F131-F169 HydrophobicContact CZ-CZ 3.42Å; F131-F169 VanDerWaalsContact CZ-CZ 3.42Å
170	C	62.6	Low	63.9	Low	10 Å²	10	46.4 Å²	46.4	7%	0.068	23%	0.232	C	C	.	.			trans	-87.3	151.4	167.6	-104.7	0	0	0	0	111.1	F53 T56 C165 P172	F53-C170 HydrophobicContact CB-CB 4.35Å; F53-C170 HydrophobicContact CD1-CB 3.29Å; F53-C170 WeakPolarHBondContact CD1-SG 3.4Å; F53-C170 HydrophobicContact CE1-CB 3.71Å; F53-C170 WeakPolarHBondContact CE1-SG 3.06Å; F53-C170 HydrophobicContact CG-CB 3.8Å; F53-C170 HydrophobicContact CZ-CB 4.48Å; F53-C170 WeakPolarHBondContact CZ-SG 2.87Å; T56-C170 HydrophobicContact CG2-CB 4.18Å; C165-C170 HydrophobicContact CB-CB 4.39Å; C165-C170 WeakPolarHBondContact CB-SG 3.29Å; C165-C170 WeakPolarHBondContact SG-CA 3.26Å; C165-C170 WeakPolarHBondContact SG-CB 3.31Å; C165-C170 CovalentContact SG-SG 2.03Å; C165-C170 PolarHBondContact SG-SG 2.61Å; C170-P172 WeakPolarHBondContact O-CD 3.08Å
171	N	62.3	Low	64.4	Low	85 Å²	85	45.8 Å²	45.8	46%	0.455	24%	0.235	S	C	.	.			trans	-54.5	111.9	174.1	-177.2	-14	0	0	0	108.8	F173 V174	N171-F173 PolarHBondContact O-N 2.92Å; N171-F173 VanDerWaalsContact O-N 3.14Å; N171-F173 WeakPolarHBondContact OD1-CD2 3.29Å; N171-F173 PolarHBondContact OD1-N 2.65Å; N171-V174 HydrophobicContact CB-CB 4.33Å; N171-V174 HydrophobicContact CB-CG2 4.1Å; N171-V174 WeakPolarHBondContact ND2-CG2 3.25Å
172	P	60.7	Low	64.2	Low	5 Å²	5	47.3 Å²	47.3	3%	0.032	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	28.6	-174.9	39.3	-36.7	0	0	0	111.6	L55 P111 V122 C170	L55-P172 HydrophobicContact CB-CB 3.85Å; L55-P172 HydrophobicContact CD1-CB 3.82Å; L55-P172 HydrophobicContact CD1-CG 3.77Å; L55-P172 HydrophobicContact CG-CB 4.48Å; P111-P172 HydrophobicContact CB-CB 3.56Å; P111-P172 HydrophobicContact CG-CB 4.02Å; P111-P172 WeakPolarHBondContact CG-O 3.27Å; V122-P172 HydrophobicContact CG1-CG 4.38Å; V122-P172 HydrophobicContact CG2-CG 3.97Å; C170-P172 WeakPolarHBondContact O-CD 3.08Å
173	F	62.8	Low	64.2	Low	59 Å²	59	52.4 Å²	52.4	26%	0.259	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	3.4	175.5	-54.2	-69.6	0	0	0	112.5	P119 V122 N171	P119-F173 HydrophobicContact CB-CE2 3.96Å; P119-F173 HydrophobicContact CB-CZ 3.97Å; P119-F173 HydrophobicContact CG-CE1 3.9Å; P119-F173 HydrophobicContact CG-CE2 4.09Å; P119-F173 HydrophobicContact CG-CZ 3.6Å; V122-F173 HydrophobicContact CB-CE2 4.29Å; V122-F173 HydrophobicContact CG2-CE2 3.98Å; V122-F173 HydrophobicContact CG2-CZ 4.31Å; N171-F173 PolarHBondContact O-N 2.92Å; N171-F173 VanDerWaalsContact O-N 3.14Å; N171-F173 WeakPolarHBondContact OD1-CD2 3.29Å; N171-F173 PolarHBondContact OD1-N 2.65Å
174	V	65.7	Low	64.2	Low	52 Å²	52	52.1 Å²	52.1	32%	0.315	25%	0.253	S	S	.	.			trans	-107.8	108.5	-173.9	161.7	0	0	0	0	108.1	N171 T176 P233	N171-V174 HydrophobicContact CB-CB 4.33Å; N171-V174 HydrophobicContact CB-CG2 4.1Å; N171-V174 WeakPolarHBondContact ND2-CG2 3.25Å; V174-T176 HydrophobicContact CG1-CG2 3.94Å; V174-P233 HydrophobicContact CB-CG 3.84Å; V174-P233 HydrophobicContact CG1-CB 4.5Å; V174-P233 HydrophobicContact CG1-CG 3.24Å; V174-P233 HydrophobicContact CG2-CG 4.13Å
175	H	67.9	Low	64	Low	75 Å²	75	51.2 Å²	51.2	35%	0.347	25%	0.252	S	S	.	.			trans	-94.7	129.9	173.6	-67.8	-102.9	0	0	0	109.9	Q110 P233	Q110-H175 WeakPolarHBondContact CA-CE1 3.09Å; Q110-H175 VanDerWaalsContact CB-CE1 3.44Å; Q110-H175 WeakPolarHBondContact CB-CE1 3.46Å; H175-P233 WeakPolarHBondContact O-CA 3.33Å; H175-P233 WeakPolarHBondContact O-CB 3.31Å; H175-P233 WeakPolarHBondContact O-CD 3.23Å; H175-P233 WeakPolarHBondContact O-CG 3.45Å
176	T	69.1	Low	63.9	Low	12 Å²	12	52.9 Å²	52.9	7%	0.074	26%	0.263	C	S	.	.			trans	-130.7	148.6	175.5	97.2	0	0	0	0	110.2	F108 V163 V174 H230 P233	F108-T176 PolarHBondContact N-O 3.42Å; V163-T176 HydrophobicContact CG2-CG2 3.75Å; V163-T176 WeakPolarHBondContact CG2-OG1 3.18Å; V174-T176 HydrophobicContact CG1-CG2 3.94Å; T176-H230 WeakPolarHBondContact CB-NE2 3.28Å; T176-H230 PolarHBondContact OG1-NE2 2.85Å; T176-P233 HydrophobicContact CG2-CG 4.18Å
177	M	72.4	Confident	63.9	Low	111 Å²	111	55 Å²	55	55%	0.547	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144.6	172.9	63.1	172.1	150.2	0	0	109.7	H230 V231	M177-H230 PolarHBondContact O-CD2 3.09Å; M177-V231 HydrophobicContact CE-CB 4.14Å; M177-V231 HydrophobicContact CE-CG1 4.02Å; M177-V231 HydrophobicContact CE-CG2 4.35Å; M177-V231 HydrophobicContact CG-CB 3.78Å; M177-V231 HydrophobicContact CG-CG2 4.21Å; M177-V231 PolarHBondContact N-O 3.36Å; M177-V231 PolarHBondContact O-N 3.22Å
178	G	69.6	Low	64.2	Low	10 Å²	10	54.2 Å²	54.2	10%	0.103	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	124.1	-172.7	0	0	0	0	0	110.3	G106 L156	G106-G178 CarbonylContact C-O 3.26Å; G106-G178 PolarHBondContact N-O 3.18Å; G106-G178 VanDerWaalsContact N-O 3.07Å; G106-G178 CarbonylContact O-C 3.57Å; G106-G178 PolarHBondContact O-N 3.23Å; L156-G178 WeakPolarHBondContact CD2-O 3.05Å
179	L	72	Confident	64.5	Low	105 Å²	105	56.1 Å²	56.1	55%	0.55	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.2	168	-175.3	71.5	0	0	0	107.9	S104 S228 H229	S104-L179 WeakPolarHBondContact O-CD1 3.31Å; L179-S228 CarbonylContact O-C 3.26Å; L179-S228 WeakPolarHBondContact O-CA 3.22Å; L179-H229 PolarHBondContact N-O 2.92Å; L179-H229 PolarHBondContact O-N 3.43Å; L179-H229 VanDerWaalsContact O-O 3.06Å
180	G	64.8	Low	64.7	Low	2 Å²	2	55.1 Å²	55.1	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	157.8	160.6	0	0	0	0	0	112.9	S104 P157 Y227	S104-G180 CarbonylContact C-O 3.6Å; S104-G180 PolarHBondContact N-O 2.86Å; S104-G180 PolarHBondContact O-N 2.94Å; S104-G180 PolarHBondContact OG-O 2.93Å; P157-G180 VanDerWaalsContact CG-C 3.45Å; G180-Y227 CarbonylContact C-O 3.56Å; G180-Y227 VanDerWaalsContact CA-O 3.28Å; G180-Y227 WeakPolarHBondContact CA-O 3.49Å
181	M	66	Low	64.7	Low	83 Å²	83	58.8 Å²	58.8	41%	0.409	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.2	-175.9	-176	173.5	64.4	0	0	107	Y103 F226 Y227	Y103-M181 HydrophobicContact CD1-CG 4Å; Y103-M181 HydrophobicContact CD1-SD 3.97Å; Y103-M181 HydrophobicContact CE1-CG 4.09Å; Y103-M181 HydrophobicContact CE1-SD 3.54Å; Y103-M181 VanDerWaalsContact CE1-SD 3.54Å; M181-F226 WeakPolarHBondContact O-CA 3.46Å; M181-Y227 PolarHBondContact N-O 3.2Å; M181-Y227 PolarHBondContact O-N 3.26Å; M181-Y227 VanDerWaalsContact O-O 3.11Å
182	R	60.7	Low	64.8	Low	58 Å²	58	56 Å²	56	22%	0.219	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.5	164.7	156.4	-174.4	159.3	-169.7	19.6	109.8	W102 P157 L225 F226	W102-R182 HydrophobicContact CD2-CB 4.07Å; W102-R182 HydrophobicContact CG-CB 4.39Å; W102-R182 HydrophobicContact CZ2-CB 3.63Å; W102-R182 HydrophobicContact CZ2-CG 4.06Å; W102-R182 PolarHBondContact N-O 2.77Å; W102-R182 PolarHBondContact O-N 3.07Å; W102-R182 VanDerWaalsContact O-O 3.07Å; P157-R182 HydrophobicContact CB-CB 4.2Å; R182-L225 CarbonylContact C-O 3.48Å; R182-L225 WeakPolarHBondContact CA-O 3.29Å; R182-L225 WeakPolarHBondContact CB-O 3.49Å; R182-L225 WeakPolarHBondContact CG-O 3.15Å; R182-F226 HydrophobicContact CB-CB 3.99Å; R182-F226 HydrophobicContact CG-CB 4.42Å
183	Y	60.7	Low	64.8	Low	131 Å²	131	56.9 Å²	56.9	51%	0.514	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.2	177.5	176.9	-93.9	0	0	0	107.6	P101 S224 L225	P101-Y183 HydrophobicContact CB-CD2 4.06Å; Y183-S224 CarbonylContact O-C 3.55Å; Y183-S224 WeakPolarHBondContact O-CA 2.87Å; Y183-L225 PolarHBondContact N-O 3.2Å; Y183-L225 PolarHBondContact O-N 3.42Å
184	Q	63	Low	65	Low	16 Å²	16	55.5 Å²	55.5	8%	0.075	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	140.9	175.7	-175.9	164.8	7.6	0	0	108.6	N99 P222	N99-Q184 HydrophobicContact CB-CG 4.36Å; Q184-P222 HydrophobicContact CG-CB 4.27Å; Q184-P222 HydrophobicContact CG-CG 3.75Å; Q184-P222 PolarHBondContact NE2-O 3.26Å; Q184-P222 VanDerWaalsContact NE2-O 3.15Å
185	K	59.9	Low	65.3	Low	123 Å²	123	56.2 Å²	56.2	54%	0.535	29%	0.285	S	S	.	.			trans	-74.3	149.9	-179.9	-168.5	174.9	179.8	179.7	0	110.9	N99 L187 P222	N99-K185 CarbonylContact O-C 3.32Å; N99-K185 VanDerWaalsContact O-C 3.32Å; K185-L187 HydrophobicContact CD-CD1 4.49Å; K185-L187 HydrophobicContact CD-CG 4.49Å; K185-L187 HydrophobicContact CG-CG 4.36Å; K185-L187 PolarHBondContact O-N 2.98Å; K185-L187 VanDerWaalsContact O-N 3.16Å; K185-P222 HydrophobicContact CB-CB 3.87Å; K185-P222 HydrophobicContact CB-CG 4.49Å; K185-P222 WeakPolarHBondContact O-CG 3.41Å
186	S	62	Low	65.3	Low	48 Å²	48	53.1 Å²	53.1	34%	0.336	27%	0.271	S	S	.	.	S	Bend	trans	-83.7	85.1	179.6	178.4	0	0	0	0	112.4	T98 N99	T98-S186 WeakPolarHBondContact CB-OG 3.28Å; T98-S186 PolarHBondContact OG1-OG 3.1Å; N99-S186 WeakPolarHBondContact O-CA 3.14Å; N99-S186 WeakPolarHBondContact O-CB 3.4Å; N99-S186 PolarHBondContact O-N 3.17Å
187	L	62.5	Low	65.4	Low	87 Å²	87	55.2 Å²	55.2	46%	0.455	28%	0.279	S	S	.	.			trans	-119.3	-15.3	173.2	-60.3	178	0	0	0	114.2	K185 P220 P222	K185-L187 HydrophobicContact CD-CD1 4.49Å; K185-L187 HydrophobicContact CD-CG 4.49Å; K185-L187 HydrophobicContact CG-CG 4.36Å; K185-L187 PolarHBondContact O-N 2.98Å; K185-L187 VanDerWaalsContact O-N 3.16Å; L187-P220 HydrophobicContact CB-CG 4.07Å; L187-P222 HydrophobicContact CB-CB 4.46Å; L187-P222 HydrophobicContact CB-CG 4.11Å; L187-P222 HydrophobicContact CD1-CB 3.98Å; L187-P222 HydrophobicContact CG-CB 4.31Å; L187-P222 HydrophobicContact CG-CG 4.42Å
188	N	65.4	Low	65.1	Low	3 Å²	3	51.2 Å²	51.2	2%	0.016	26%	0.261	C	S	.	.			trans	-120.8	148	-174.3	-64.6	3.6	0	0	0	111.8	T98 N99 S218 G219 P220 F221	T98-N188 WeakPolarHBondContact CA-O 2.75Å; N99-N188 PolarHBondContact N-O 2.98Å; N188-S218 WeakPolarHBondContact CA-O 3.17Å; N188-G219 VanDerWaalsContact CG-O 3.29Å; N188-G219 PolarHBondContact ND2-O 2.9Å; N188-G219 VanDerWaalsContact ND2-O 3.1Å; N188-G219 WeakPolarHBondContact OD1-CA 3.23Å; N188-G219 PolarHBondContact OD1-O 2.76Å; N188-P220 VanDerWaalsContact CG-C 3.5Å; N188-P220 VanDerWaalsContact ND2-C 3.29Å; N188-P220 PolarHBondContact ND2-O 3.3Å; N188-P220 WeakPolarHBondContact OD1-CA 3.34Å; N188-P220 WeakPolarHBondContact OD1-CD 3.48Å; N188-P220 PolarHBondContact OD1-O 3.28Å; N188-F221 WeakPolarHBondContact ND2-CA 3.36Å; N188-F221 VanDerWaalsContact ND2-CD1 3.28Å; N188-F221 WeakPolarHBondContact ND2-CD1 3.38Å; N188-F221 WeakPolarHBondContact ND2-CG 3.35Å; N188-F221 PolarHBondContact ND2-N 3.1Å; N188-F221 VanDerWaalsContact ND2-N 3.19Å
189	L	64	Low	65.1	Low	81 Å²	81	54.1 Å²	54.1	42%	0.424	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.5	162.2	177.7	62.9	0	0	0	108.5	F216 Y217 S218	L189-F216 HydrophobicContact CD2-CE1 4.02Å; L189-Y217 WeakPolarHBondContact O-CA 2.86Å; L189-S218 PolarHBondContact N-O 3.34Å; L189-S218 PolarHBondContact O-N 2.79Å
190	A	64.4	Low	64.7	Low	2 Å²	2	55.3 Å²	55.3	2%	0.017	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.6	173.6	0	0	0	0	0	109.6	T95 G97 Y217	T95-A190 HydrophobicContact CG2-CB 3.79Å; G97-A190 PolarHBondContact N-O 3.43Å; G97-A190 VanDerWaalsContact N-O 3.15Å; G97-A190 PolarHBondContact O-N 3.23Å; A190-Y217 HydrophobicContact CB-CD1 3.69Å; A190-Y217 HydrophobicContact CB-CE1 3.72Å
191	L	63.1	Low	64.8	Low	87 Å²	87	59 Å²	59	46%	0.455	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	110.6	165.7	-174.3	142.1	0	0	0	107.4	T95 N215 F216	T95-L191 VanDerWaalsContact O-CA 3.29Å; T95-L191 WeakPolarHBondContact O-CA 2.91Å; L191-N215 CarbonylContact O-C 3.52Å; L191-N215 VanDerWaalsContact O-CA 3.32Å; L191-N215 WeakPolarHBondContact O-CA 3.03Å; L191-F216 HydrophobicContact CB-CB 4.31Å; L191-F216 PolarHBondContact N-O 2.87Å; L191-F216 PolarHBondContact O-N 3.45Å
192	D	64	Low	64.5	Low	27 Å²	27	55.5 Å²	55.5	14%	0.144	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	123.7	-179.6	-173.1	12.3	0	0	0	109	L93 L94 T95 Y217	L93-D192 WeakPolarHBondContact CD2-OD2 3.08Å; L94-D192 CarbonylContact C-O 3.52Å; L94-D192 WeakPolarHBondContact CA-O 3.38Å; T95-D192 HydrophobicContact CG2-CB 4.26Å; T95-D192 PolarHBondContact N-O 3.47Å; T95-D192 PolarHBondContact O-N 2.89Å; D192-Y217 PolarHBondContact OD2-OH 3.03Å
193	G	60.7	Low	64	Low	23 Å²	23	56.9 Å²	56.9	24%	0.237	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.1	178.4	0	0	0	0	0	109.2	L93 T213 G214	L93-G193 CarbonylContact O-C 3.49Å; L93-G193 WeakPolarHBondContact O-CA 2.97Å; G193-T213 CarbonylContact O-C 3.23Å; G193-T213 WeakPolarHBondContact O-CA 3.44Å; G193-T213 PolarHBondContact O-OG1 3.15Å; G193-G214 PolarHBondContact N-O 2.64Å; G193-G214 PolarHBondContact O-N 2.83Å
194	L	66.5	Low	63.5	Low	29 Å²	29	60 Å²	60	15%	0.152	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.2	163.8	-177.7	67	0	0	0	107.9	S92 L93 D196 L212	S92-L194 CarbonylContact C-O 3.51Å; S92-L194 VanDerWaalsContact CA-O 3.25Å; S92-L194 WeakPolarHBondContact CA-O 3.11Å; L93-L194 HydrophobicContact CB-CB 3.82Å; L93-L194 PolarHBondContact N-O 3.18Å; L93-L194 PolarHBondContact O-N 3.08Å; L194-D196 HydrophobicContact CD1-CB 4.3Å; L194-D196 HydrophobicContact CG-CB 4.44Å; L194-L212 CarbonylContact C-O 2.93Å; L194-L212 WeakPolarHBondContact CA-O 3Å
195	L	72.7	Confident	62.9	Low	68 Å²	68	59.8 Å²	59.8	36%	0.356	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	105.9	163.6	179.2	65.6	0	0	0	106.2	L90 K91 F197 L212	L90-L195 HydrophobicContact CD1-CD1 3.87Å; K91-L195 WeakPolarHBondContact O-CA 3.4Å; L195-F197 HydrophobicContact CD1-CD1 4.28Å; L195-F197 HydrophobicContact CD2-CD1 4.35Å; L195-F197 HydrophobicContact CD2-CE1 3.98Å; L195-F197 HydrophobicContact CG-CD1 3.9Å; L195-F197 HydrophobicContact CG-CE1 3.99Å; L195-L212 HydrophobicContact CB-CB 4.3Å; L195-L212 PolarHBondContact N-O 3.46Å; L195-L212 PolarHBondContact O-N 3.19Å
196	D	68.8	Low	62.5	Low	9 Å²	9	59.3 Å²	59.3	5%	0.048	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115.9	179.1	175.8	21.3	0	0	0	108.4	K91 L194 R209 F210	K91-D196 HydrophobicContact CB-CB 4.3Å; K91-D196 PolarHBondContact N-O 3.16Å; K91-D196 PolarHBondContact O-N 2.75Å; L194-D196 HydrophobicContact CD1-CB 4.3Å; L194-D196 HydrophobicContact CG-CB 4.44Å; D196-R209 IonicContact OD1-CZ 3.69Å; D196-R209 IonicContact OD1-NE 3.85Å; D196-R209 IonicContact OD1-NH1 3.82Å; D196-R209 IonicContact OD2-CZ 3.17Å; D196-R209 IonicContact OD2-NH1 2.72Å; D196-R209 PolarHBondContact OD2-NH1 3.02Å; D196-R209 IonicContact OD2-NH2 3.4Å; D196-R209 PolarHBondContact OD2-NH2 3.1Å; D196-F210 WeakPolarHBondContact CA-O 3.18Å
197	F	70	Confident	62.3	Low	57 Å²	57	59 Å²	59	25%	0.25	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	146.9	174.1	57.7	-85.2	0	0	0	110.4	L90 L195 I199 F210	L90-F197 HydrophobicContact CD1-CB 3.84Å; L195-F197 HydrophobicContact CD1-CD1 4.28Å; L195-F197 HydrophobicContact CD2-CD1 4.35Å; L195-F197 HydrophobicContact CD2-CE1 3.98Å; L195-F197 HydrophobicContact CG-CD1 3.9Å; L195-F197 HydrophobicContact CG-CE1 3.99Å; F197-I199 HydrophobicContact CD2-CG1 3.82Å; F197-I199 HydrophobicContact CE2-CD1 3.83Å; F197-I199 HydrophobicContact CE2-CG1 3.49Å; F197-I199 VanDerWaalsContact CE2-CG1 3.49Å; F197-I199 HydrophobicContact CZ-CD1 4.45Å; F197-F210 HydrophobicContact CE1-CB 4.24Å; F197-F210 AromaticContact CE1-CD1 3.65Å; F197-F210 HydrophobicContact CE1-CD1 3.65Å; F197-F210 HydrophobicContact CE1-CE1 4.49Å; F197-F210 HydrophobicContact CE1-CG 4.33Å; F197-F210 HydrophobicContact CE2-CB 4.28Å; F197-F210 HydrophobicContact CZ-CB 4.03Å; F197-F210 AromaticContact CZ-CD1 3.77Å; F197-F210 HydrophobicContact CZ-CD1 3.77Å; F197-F210 HydrophobicContact CZ-CG 4.12Å; F197-F210 PolarHBondContact O-N 2.74Å
198	P	66.7	Low	62.3	Low	26 Å²	26	59.9 Å²	59.9	17%	0.169	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	126.9	172.1	29.9	-33.4	0	0	0	109.8	W88 D89	W88-P198 HydrophobicContact CG-CG 4.21Å; D89-P198 WeakPolarHBondContact O-CD 3.39Å
199	I	68.7	Low	62.5	Low	71 Å²	71	64.4 Å²	64.4	36%	0.364	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.2	166.3	-59.3	174.9	0	0	0	106.8	F197 T201 G207 I208 F210	F197-I199 HydrophobicContact CD2-CG1 3.82Å; F197-I199 HydrophobicContact CE2-CD1 3.83Å; F197-I199 HydrophobicContact CE2-CG1 3.49Å; F197-I199 VanDerWaalsContact CE2-CG1 3.49Å; F197-I199 HydrophobicContact CZ-CD1 4.45Å; I199-T201 PolarHBondContact O-N 2.93Å; I199-G207 CarbonylContact O-C 3.44Å; I199-G207 WeakPolarHBondContact O-CA 3.41Å; I199-I208 PolarHBondContact N-O 2.76Å; I199-I208 PolarHBondContact O-N 2.87Å; I199-F210 HydrophobicContact CD1-CB 3.87Å; I199-F210 HydrophobicContact CD1-CG 4.42Å; I199-F210 HydrophobicContact CG1-CB 4.4Å
200	R	63.5	Low	62.8	Low	131 Å²	131	65.2 Å²	65.2	49%	0.494	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	123.3	175.4	-173	-177.7	-177.3	-162.4	7.6	109.4	G202 P203	R200-G202 WeakPolarHBondContact CG-O 3.47Å; R200-G202 PolarHBondContact NE-O 2.99Å; R200-P203 PolarHBondContact NH2-O 3.05Å; R200-P203 VanDerWaalsContact NH2-O 3.07Å
201	T	67.4	Low	63.2	Low	79 Å²	79	67.9 Å²	67.9	49%	0.485	35%	0.351	S	S	.	.			trans	-112.4	-16.6	178	50.9	0	0	0	0	113.2	I199 E206 I208	I199-T201 PolarHBondContact O-N 2.93Å; T201-E206 PolarHBondContact N-O 3.15Å; T201-E206 PolarHBondContact OG1-O 2.85Å; T201-I208 HydrophobicContact CG2-CB 4.04Å; T201-I208 HydrophobicContact CG2-CD1 3.69Å; T201-I208 HydrophobicContact CG2-CG1 3.65Å
202	G	60.2	Low	63.9	Low	9 Å²	9	68.6 Å²	68.6	9%	0.093	36%	0.355	C	S	.	.	S	Bend	trans	-141.2	166.4	-178.7	0	0	0	0	0	115	R200 Y204 E206	R200-G202 WeakPolarHBondContact CG-O 3.47Å; R200-G202 PolarHBondContact NE-O 2.99Å; G202-Y204 VanDerWaalsContact C-N 3.31Å; G202-Y204 PolarHBondContact O-N 3.05Å; G202-E206 PolarHBondContact N-O 2.82Å; G202-E206 VanDerWaalsContact N-O 3.12Å
203	P	50.8	Low	64.4	Low	87 Å²	87	70.6 Å²	70.6	57%	0.565	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-29	-179.8	24.5	-30.5	0	0	0	113	R200 G205	R200-P203 PolarHBondContact NH2-O 3.05Å; R200-P203 VanDerWaalsContact NH2-O 3.07Å; P203-G205 PolarHBondContact O-N 2.91Å
204	Y	49.6	Very low	64.6	Low	196 Å²	196	71.2 Å²	71.2	77%	0.769	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	23.6	-171.6	-59	-68.7	0	0	0	115.2	G202 E206	G202-Y204 VanDerWaalsContact C-N 3.31Å; G202-Y204 PolarHBondContact O-N 3.05Å; Y204-E206 VanDerWaalsContact C-N 3.32Å
205	G	49.9	Very low	64.6	Low	12 Å²	12	75 Å²	75	12%	0.124	40%	0.395	C	S	.	.	S	Bend	trans	85	7	179.8	0	0	0	0	0	114.6	W84 P203 G207	W84-G205 WeakPolarHBondContact O-CA 3.03Å; W84-G205 PolarHBondContact O-N 2.86Å; P203-G205 PolarHBondContact O-N 2.91Å; G205-G207 PolarHBondContact O-N 3.07Å
206	E	51	Low	64.2	Low	113 Å²	113	77.3 Å²	77.3	53%	0.528	40%	0.402	S	S	.	.			trans	-63	128.3	167.1	-63.1	166.1	-175.3	0	0	109.5	T201 G202 Y204	T201-E206 PolarHBondContact N-O 3.15Å; T201-E206 PolarHBondContact OG1-O 2.85Å; G202-E206 PolarHBondContact N-O 2.82Å; G202-E206 VanDerWaalsContact N-O 3.12Å; Y204-E206 VanDerWaalsContact C-N 3.32Å
207	G	58.9	Low	64	Low	41 Å²	41	81.4 Å²	81.4	42%	0.423	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	140.8	177.4	0	0	0	0	0	111.8	I199 G205	I199-G207 CarbonylContact O-C 3.44Å; I199-G207 WeakPolarHBondContact O-CA 3.41Å; G205-G207 PolarHBondContact O-N 3.07Å
208	I	63.1	Low	63.8	Low	107 Å²	107	82 Å²	82	55%	0.549	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	132.4	167.7	-67	173.7	0	0	0	106.8	I199 T201	I199-I208 PolarHBondContact N-O 2.76Å; I199-I208 PolarHBondContact O-N 2.87Å; T201-I208 HydrophobicContact CG2-CB 4.04Å; T201-I208 HydrophobicContact CG2-CD1 3.69Å; T201-I208 HydrophobicContact CG2-CG1 3.65Å
209	R	67.6	Low	63.9	Low	98 Å²	98	82.3 Å²	82.3	37%	0.37	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	136.4	168.7	-61.3	-168.3	112.4	-143.8	-7.6	108.6	D89 D196 P211	D89-R209 IonicContact OD2-NH2 3.94Å; D196-R209 IonicContact OD1-CZ 3.69Å; D196-R209 IonicContact OD1-NE 3.85Å; D196-R209 IonicContact OD1-NH1 3.82Å; D196-R209 IonicContact OD2-CZ 3.17Å; D196-R209 IonicContact OD2-NH1 2.72Å; D196-R209 PolarHBondContact OD2-NH1 3.02Å; D196-R209 IonicContact OD2-NH2 3.4Å; D196-R209 PolarHBondContact OD2-NH2 3.1Å; R209-P211 VanDerWaalsContact C-CD 3.46Å; R209-P211 WeakPolarHBondContact O-CD 3.34Å
210	F	71.9	Confident	63.8	Low	97 Å²	97	82.3 Å²	82.3	43%	0.425	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	90.2	173.4	-173.6	-100.3	0	0	0	109	D196 F197 I199 L212	D196-F210 WeakPolarHBondContact CA-O 3.18Å; F197-F210 HydrophobicContact CE1-CB 4.24Å; F197-F210 AromaticContact CE1-CD1 3.65Å; F197-F210 HydrophobicContact CE1-CD1 3.65Å; F197-F210 HydrophobicContact CE1-CE1 4.49Å; F197-F210 HydrophobicContact CE1-CG 4.33Å; F197-F210 HydrophobicContact CE2-CB 4.28Å; F197-F210 HydrophobicContact CZ-CB 4.03Å; F197-F210 AromaticContact CZ-CD1 3.77Å; F197-F210 HydrophobicContact CZ-CD1 3.77Å; F197-F210 HydrophobicContact CZ-CG 4.12Å; F197-F210 PolarHBondContact O-N 2.74Å; I199-F210 HydrophobicContact CD1-CB 3.87Å; I199-F210 HydrophobicContact CD1-CG 4.42Å; I199-F210 HydrophobicContact CG1-CB 4.4Å; F210-L212 HydrophobicContact CD1-CB 4.17Å; F210-L212 HydrophobicContact CE1-CB 3.75Å; F210-L212 PolarHBondContact O-N 2.79Å
211	P	73.1	Confident	63.8	Low	58 Å²	58	80.7 Å²	80.7	38%	0.377	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	85.6	179.4	34.4	-35.2	0	0	0	109.8	P36 R209 T213	P36-P211 HydrophobicContact CB-CB 3.65Å; P36-P211 HydrophobicContact CB-CG 4.02Å; P36-P211 HydrophobicContact CG-CB 3.99Å; R209-P211 VanDerWaalsContact C-CD 3.46Å; R209-P211 WeakPolarHBondContact O-CD 3.34Å; P211-T213 PolarHBondContact O-N 2.98Å
212	L	75.9	Confident	63.5	Low	102 Å²	102	77.3 Å²	77.3	53%	0.534	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	106	167.8	-177.6	66.3	0	0	0	107.8	L194 L195 F210	L194-L212 CarbonylContact C-O 2.93Å; L194-L212 WeakPolarHBondContact CA-O 3Å; L195-L212 HydrophobicContact CB-CB 4.3Å; L195-L212 PolarHBondContact N-O 3.46Å; L195-L212 PolarHBondContact O-N 3.19Å; F210-L212 HydrophobicContact CD1-CB 4.17Å; F210-L212 HydrophobicContact CE1-CB 3.75Å; F210-L212 PolarHBondContact O-N 2.79Å
213	T	75.1	Confident	63.7	Low	70 Å²	70	82.2 Å²	82.2	43%	0.429	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.4	178.8	-172.5	0	0	0	0	112.2	P36 G193 P211	P36-T213 HydrophobicContact CG-CG2 4Å; G193-T213 CarbonylContact O-C 3.23Å; G193-T213 WeakPolarHBondContact O-CA 3.44Å; G193-T213 PolarHBondContact O-OG1 3.15Å; P211-T213 PolarHBondContact O-N 2.98Å
214	G	66.3	Low	64.4	Low	35 Å²	35	80.6 Å²	80.6	36%	0.361	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	138.2	173.5	0	0	0	0	0	109.9	G193	G193-G214 PolarHBondContact N-O 2.64Å; G193-G214 PolarHBondContact O-N 2.83Å
215	N	64.9	Low	65.1	Low	108 Å²	108	77 Å²	77	58%	0.578	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.3	-177.2	61.9	-20.3	0	0	0	111.3	L191 Y217	L191-N215 CarbonylContact O-C 3.52Å; L191-N215 VanDerWaalsContact O-CA 3.32Å; L191-N215 WeakPolarHBondContact O-CA 3.03Å; N215-Y217 HydrophobicContact CB-CD2 4.48Å; N215-Y217 HydrophobicContact CB-CE2 3.77Å
216	F	64.6	Low	66	Low	118 Å²	118	82 Å²	82	52%	0.518	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	124.2	174.8	177.1	-96.8	0	0	0	108.7	L189 L191	L189-F216 HydrophobicContact CD2-CE1 4.02Å; L191-F216 HydrophobicContact CB-CB 4.31Å; L191-F216 PolarHBondContact N-O 2.87Å; L191-F216 PolarHBondContact O-N 3.45Å
217	Y	65	Low	66.9	Low	94 Å²	94	83 Å²	83	37%	0.369	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.9	178.8	-58.6	-80.8	0	0	0	109.6	L189 A190 D192 N215	L189-Y217 WeakPolarHBondContact O-CA 2.86Å; A190-Y217 HydrophobicContact CB-CD1 3.69Å; A190-Y217 HydrophobicContact CB-CE1 3.72Å; D192-Y217 PolarHBondContact OD2-OH 3.03Å; N215-Y217 HydrophobicContact CB-CD2 4.48Å; N215-Y217 HydrophobicContact CB-CE2 3.77Å
218	S	66.8	Low	67.2	Low	69 Å²	69	82 Å²	82	48%	0.483	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	131.6	175.1	-176.3	0	0	0	0	110.3	N188 L189	N188-S218 WeakPolarHBondContact CA-O 3.17Å; L189-S218 PolarHBondContact N-O 3.34Å; L189-S218 PolarHBondContact O-N 2.79Å
219	G	68.6	Low	67.9	Low	33 Å²	33	81.4 Å²	81.4	34%	0.34	43%	0.432	S	S	.	.	S	Bend	trans	114.3	169.7	178.6	0	0	0	0	0	114.7	N188	N188-G219 VanDerWaalsContact CG-O 3.29Å; N188-G219 PolarHBondContact ND2-O 2.9Å; N188-G219 VanDerWaalsContact ND2-O 3.1Å; N188-G219 WeakPolarHBondContact OD1-CA 3.23Å; N188-G219 PolarHBondContact OD1-O 2.76Å
220	P	65.2	Low	68.1	Low	72 Å²	72	78.3 Å²	78.3	47%	0.468	42%	0.422	S	S	.	.			trans	-75.2	117.9	-177	31.4	-34.1	0	0	0	114.9	E13 L187 N188 P222	E13-P220 VanDerWaalsContact OE1-CA 3.29Å; E13-P220 WeakPolarHBondContact OE1-CA 3.46Å; L187-P220 HydrophobicContact CB-CG 4.07Å; N188-P220 VanDerWaalsContact CG-C 3.5Å; N188-P220 VanDerWaalsContact ND2-C 3.29Å; N188-P220 PolarHBondContact ND2-O 3.3Å; N188-P220 WeakPolarHBondContact OD1-CA 3.34Å; N188-P220 WeakPolarHBondContact OD1-CD 3.48Å; N188-P220 PolarHBondContact OD1-O 3.28Å; P220-P222 WeakPolarHBondContact O-CD 3.15Å; P220-P222 VanDerWaalsContact O-N 3.07Å
221	F	64.8	Low	68.2	Low	96 Å²	96	76.5 Å²	76.5	42%	0.421	42%	0.419	S	S	.	.			trans	-57.8	112	-178.5	-69.4	-81.3	0	0	0	113.7	E13 V26 N188	E13-F221 VanDerWaalsContact OE1-CD2 3.27Å; E13-F221 WeakPolarHBondContact OE1-CD2 2.94Å; E13-F221 PolarHBondContact OE1-N 3.12Å; V26-F221 HydrophobicContact CB-CD2 4.4Å; V26-F221 HydrophobicContact CG1-CD2 4.26Å; V26-F221 HydrophobicContact CG1-CE2 4.41Å; N188-F221 WeakPolarHBondContact ND2-CA 3.36Å; N188-F221 VanDerWaalsContact ND2-CD1 3.28Å; N188-F221 WeakPolarHBondContact ND2-CD1 3.38Å; N188-F221 WeakPolarHBondContact ND2-CG 3.35Å; N188-F221 PolarHBondContact ND2-N 3.1Å; N188-F221 VanDerWaalsContact ND2-N 3.19Å
222	P	60.1	Low	67.9	Low	9 Å²	9	79 Å²	79	6%	0.058	43%	0.429	C	S	.	.			trans	-76.9	153.7	-178.8	15.6	-11.6	0	0	0	111.5	Q184 K185 L187 P220 S224	Q184-P222 HydrophobicContact CG-CB 4.27Å; Q184-P222 HydrophobicContact CG-CG 3.75Å; Q184-P222 PolarHBondContact NE2-O 3.26Å; Q184-P222 VanDerWaalsContact NE2-O 3.15Å; K185-P222 HydrophobicContact CB-CB 3.87Å; K185-P222 HydrophobicContact CB-CG 4.49Å; K185-P222 WeakPolarHBondContact O-CG 3.41Å; L187-P222 HydrophobicContact CB-CB 4.46Å; L187-P222 HydrophobicContact CB-CG 4.11Å; L187-P222 HydrophobicContact CD1-CB 3.98Å; L187-P222 HydrophobicContact CG-CB 4.31Å; L187-P222 HydrophobicContact CG-CG 4.42Å; P220-P222 WeakPolarHBondContact O-CD 3.15Å; P220-P222 VanDerWaalsContact O-N 3.07Å; P222-S224 PolarHBondContact O-N 2.92Å
223	P	65	Low	67.3	Low	112 Å²	112	76.2 Å²	76.2	73%	0.727	42%	0.417	S	S	*	.			trans	-56.4	140.5	170	26.5	-34.7	0	0	0	110.2
224	S	64.6	Low	66.1	Low	53 Å²	53	79.1 Å²	79.1	37%	0.371	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.8	177.4	62.4	0	0	0	0	111	Y183 P222	Y183-S224 CarbonylContact O-C 3.55Å; Y183-S224 WeakPolarHBondContact O-CA 2.87Å; P222-S224 PolarHBondContact O-N 2.92Å
225	L	64.9	Low	65.2	Low	121 Å²	121	82.5 Å²	82.5	63%	0.634	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.2	170.5	176.5	68.5	0	0	0	108.3	R182 Y183	R182-L225 CarbonylContact C-O 3.48Å; R182-L225 WeakPolarHBondContact CA-O 3.29Å; R182-L225 WeakPolarHBondContact CB-O 3.49Å; R182-L225 WeakPolarHBondContact CG-O 3.15Å; Y183-L225 PolarHBondContact N-O 3.2Å; Y183-L225 PolarHBondContact O-N 3.42Å
226	F	69.8	Low	64.2	Low	116 Å²	116	80.9 Å²	80.9	51%	0.509	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.4	174	52.8	-87.2	0	0	0	109.6	M181 R182	M181-F226 WeakPolarHBondContact O-CA 3.46Å; R182-F226 HydrophobicContact CB-CB 3.99Å; R182-F226 HydrophobicContact CG-CB 4.42Å
227	Y	68.8	Low	63.4	Low	133 Å²	133	81.4 Å²	81.4	52%	0.522	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	119	171.6	173.7	-100	0	0	0	108	G180 M181 H229	G180-Y227 CarbonylContact C-O 3.56Å; G180-Y227 VanDerWaalsContact CA-O 3.28Å; G180-Y227 WeakPolarHBondContact CA-O 3.49Å; M181-Y227 PolarHBondContact N-O 3.2Å; M181-Y227 PolarHBondContact O-N 3.26Å; M181-Y227 VanDerWaalsContact O-O 3.11Å; Y227-H229 HydrophobicContact CE1-CB 4.05Å; Y227-H229 PolarHBondContact OH-ND1 2.81Å
228	S	66.5	Low	62.2	Low	22 Å²	22	80.9 Å²	80.9	15%	0.154	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.2	177.6	-62.4	0	0	0	0	109	P157 L179	P157-S228 PolarHBondContact O-OG 3.25Å; L179-S228 CarbonylContact O-C 3.26Å; L179-S228 WeakPolarHBondContact O-CA 3.22Å
229	H	76.4	Confident	60.9	Low	94 Å²	94	85.9 Å²	85.9	44%	0.435	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.3	-179.8	-170.1	94.2	0	0	0	109.1	L179 Y227	L179-H229 PolarHBondContact N-O 2.92Å; L179-H229 PolarHBondContact O-N 3.43Å; L179-H229 VanDerWaalsContact O-O 3.06Å; Y227-H229 HydrophobicContact CE1-CB 4.05Å; Y227-H229 PolarHBondContact OH-ND1 2.81Å
230	H	73.2	Confident	59.6	Low	32 Å²	32	92.3 Å²	92.3	15%	0.148	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.9	178	173.3	-129.8	0	0	0	109.6	W160 P162 V163 T176 M177 N232	W160-H230 HydrophobicContact CH2-CB 3.14Å; W160-H230 HydrophobicContact CZ2-CB 4.21Å; W160-H230 HydrophobicContact CZ3-CB 3.51Å; P162-H230 HydrophobicContact CB-CB 3.53Å; P162-H230 VanDerWaalsContact CB-CG 3.4Å; P162-H230 HydrophobicContact CG-CB 4.31Å; V163-H230 VanDerWaalsContact CG2-NE2 3.3Å; V163-H230 WeakPolarHBondContact CG2-NE2 3.42Å; T176-H230 WeakPolarHBondContact CB-NE2 3.28Å; T176-H230 PolarHBondContact OG1-NE2 2.85Å; M177-H230 PolarHBondContact O-CD2 3.09Å; H230-N232 PolarHBondContact CE1-OD1 2.86Å; H230-N232 PolarHBondContact ND1-OD1 2.77Å
231	V	72.6	Confident	58	Low	60 Å²	60	93.7 Å²	93.7	36%	0.364	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.5	170.1	-171	0	0	0	0	107.2	M177	M177-V231 HydrophobicContact CE-CB 4.14Å; M177-V231 HydrophobicContact CE-CG1 4.02Å; M177-V231 HydrophobicContact CE-CG2 4.35Å; M177-V231 HydrophobicContact CG-CB 3.78Å; M177-V231 HydrophobicContact CG-CG2 4.21Å; M177-V231 PolarHBondContact N-O 3.36Å; M177-V231 PolarHBondContact O-N 3.22Å
232	N	66.5	Low	56.4	Low	111 Å²	111	98.6 Å²	98.6	59%	0.594	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-70.6	156.5	172.5	-87.8	-31.9	0	0	0	110.8	H230 V234	H230-N232 PolarHBondContact CE1-OD1 2.86Å; H230-N232 PolarHBondContact ND1-OD1 2.77Å; N232-V234 PolarHBondContact O-N 3.16Å
233	P	63.5	Low	55.2	Low	42 Å²	42	107.6 Å²	107.6	27%	0.273	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-61.7	138.4	-179.3	0.5	4.6	0	0	0	111.8	V174 H175 T176	V174-P233 HydrophobicContact CB-CG 3.84Å; V174-P233 HydrophobicContact CG1-CB 4.5Å; V174-P233 HydrophobicContact CG1-CG 3.24Å; V174-P233 HydrophobicContact CG2-CG 4.13Å; H175-P233 WeakPolarHBondContact O-CA 3.33Å; H175-P233 WeakPolarHBondContact O-CB 3.31Å; H175-P233 WeakPolarHBondContact O-CD 3.23Å; H175-P233 WeakPolarHBondContact O-CG 3.45Å; T176-P233 HydrophobicContact CG2-CG 4.18Å
234	V	51.3	Low	54.7	Low	131 Å²	131	107.4 Å²	107.4	79%	0.794	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-75.7	131.4	152.3	-179	0	0	0	0	106.6	N232 P236	N232-V234 PolarHBondContact O-N 3.16Å; V234-P236 WeakPolarHBondContact O-CD 3.39Å
235	D	45.8	Very low	54.2	Low	106 Å²	106	110.2 Å²	110.2	57%	0.567	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-54.1	120	175.5	-171.3	-10.7	0	0	0	109.7	F237	D235-F237 PolarHBondContact O-N 3.08Å; D235-F237 WeakPolarHBondContact OD1-CD2 3.1Å; D235-F237 PolarHBondContact OD1-N 3.03Å
236	P	45.6	Very low	53.6	Low	74 Å²	74	109.6 Å²	109.6	48%	0.481	58%	0.58	S	S	.	*	S	Bend	trans	-70.7	-3.3	178.3	29.4	-34.8	0	0	0	113.2	V234 P238	V234-P236 WeakPolarHBondContact O-CD 3.39Å; P236-P238 VanDerWaalsContact C-CD 3.47Å; P236-P238 WeakPolarHBondContact O-CD 2.98Å
237	F	46.5	Very low	52.7	Low	129 Å²	129	109.2 Å²	109.2	57%	0.566	58%	0.584	S	S	*	*			trans	-98.2	89.4	169.4	-59	-72.7	0	0	0	110.6	D235 L239	D235-F237 PolarHBondContact O-N 3.08Å; D235-F237 WeakPolarHBondContact OD1-CD2 3.1Å; D235-F237 PolarHBondContact OD1-N 3.03Å; F237-L239 PolarHBondContact O-N 2.89Å; F237-L239 VanDerWaalsContact O-N 3.08Å
238	P	40.4	Very low	51.7	Low	83 Å²	83	107.8 Å²	107.8	54%	0.539	59%	0.588	S	S	.	*			trans	-59.7	118	157.6	26.2	-30.4	0	0	0	107	P236 F240	P236-P238 VanDerWaalsContact C-CD 3.47Å; P236-P238 WeakPolarHBondContact O-CD 2.98Å; P238-F240 HydrophobicContact CB-CD2 4.04Å; P238-F240 HydrophobicContact CB-CE2 3.79Å; P238-F240 HydrophobicContact CB-CZ 4.21Å; P238-F240 HydrophobicContact CG-CD2 3.79Å; P238-F240 HydrophobicContact CG-CE2 3.39Å; P238-F240 HydrophobicContact CG-CZ 4.16Å; P238-F240 PolarHBondContact O-N 3.19Å
239	L	39.3	Very low	50.7	Low	174 Å²	174	113.5 Å²	113.5	91%	0.911	62%	0.617	S	S	*	*			trans	-59.1	83	159	-91	148.6	0	0	0	107.1	F237 P241	F237-L239 PolarHBondContact O-N 2.89Å; F237-L239 VanDerWaalsContact O-N 3.08Å; L239-P241 WeakPolarHBondContact O-CD 2.8Å
240	F	40.3	Very low	48.8	Very low	169 Å²	169	114.9 Å²	114.9	74%	0.741	63%	0.63	S	S	*	*			trans	-73.1	118.6	155.7	-69.9	-68.2	0	0	0	105.8	P238 M242	P238-F240 HydrophobicContact CB-CD2 4.04Å; P238-F240 HydrophobicContact CB-CE2 3.79Å; P238-F240 HydrophobicContact CB-CZ 4.21Å; P238-F240 HydrophobicContact CG-CD2 3.79Å; P238-F240 HydrophobicContact CG-CE2 3.39Å; P238-F240 HydrophobicContact CG-CZ 4.16Å; P238-F240 PolarHBondContact O-N 3.19Å; F240-M242 PolarHBondContact O-N 3.09Å; F240-M242 VanDerWaalsContact O-N 3.16Å
241	P	33	Very low	47	Very low	101 Å²	101	121.2 Å²	121.2	66%	0.656	67%	0.667	S	S	*	*			trans	-60.2	123.1	164.7	25.7	-28	0	0	0	106.5	L239 T243	L239-P241 WeakPolarHBondContact O-CD 2.8Å; P241-T243 VanDerWaalsContact C-N 3.26Å; P241-T243 PolarHBondContact O-N 3.23Å
242	M	31.1	Very low	44.8	Very low	198 Å²	198	126.3 Å²	126.3	98%	0.975	69%	0.693	S	S	*	*			trans	-63.9	96.9	161.4	-78	-173.8	-94	0	0	106.8	F240	F240-M242 PolarHBondContact O-N 3.09Å; F240-M242 VanDerWaalsContact O-N 3.16Å
243	T	34.7	Very low	42.9	Very low	198 Å²	198	127.7 Å²	127.7	100%	1.215	70%	0.702	S	S	*	*			trans	-120.8	0	156.1	49.3	0	0	0	0	107.8	P241	P241-T243 VanDerWaalsContact C-N 3.26Å; P241-T243 PolarHBondContact O-N 3.23Å

Retrieved 243 of 243 residues in 71.8 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).