A0A077YW95_TRITR Loading...

Transient receptor potential cation channel, subf amily M, member 2 isoform LF-TRPM2

AlphaFold DB , UniProt , Accession A0A077YW95, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 173 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	40.4	Very low	73.3	Confident	244 Å²	244	128.5 Å²	128.5	100%	1.202	56%	0.564	S	S	*	*				0	108.9	0	-167.8	-179.7	-167.6	0	0	109.1
2	Y	53.8	Low	74.9	Confident	187 Å²	187	128.3 Å²	128.3	73%	0.733	57%	0.573	S	S	*	*			trans	-74	130	-175.6	-64	-80.2	0	0	0	111.5	R4	Y2-R4 PolarHBondContact O-N 3.22Å
3	R	64.6	Low	76.4	Confident	185 Å²	185	123.6 Å²	123.6	70%	0.698	56%	0.561	S	S	*	*			trans	-68.3	114.5	179.2	-177.5	178.4	-91.3	-167.5	-2.9	109.4	R5	R3-R5 VanDerWaalsContact C-N 3.31Å; R3-R5 HydrophobicContact CG-CB 3.98Å; R3-R5 HydrophobicContact CG-CG 4.41Å
4	R	74.4	Confident	77.6	Confident	153 Å²	153	118.1 Å²	118.1	58%	0.577	54%	0.541	S	S	*	.			trans	-87.9	8.9	173.1	-67.4	-172.8	175.4	-156.4	0.5	113.7	Y2 Y11 P39	Y2-R4 PolarHBondContact O-N 3.22Å; R4-Y11 WeakPolarHBondContact O-CE1 3.44Å; R4-Y11 PolarHBondContact O-OH 2.79Å; R4-P39 WeakPolarHBondContact O-CG 3.22Å
5	R	83.2	Confident	78.8	Confident	191 Å²	191	124.7 Å²	124.7	72%	0.721	57%	0.568	S	S	*	*			trans	-85.1	122.7	-177.6	-67.5	-173.2	179.6	177.2	0.9	108.8	R3 H41	R3-R5 VanDerWaalsContact C-N 3.31Å; R3-R5 HydrophobicContact CG-CB 3.98Å; R3-R5 HydrophobicContact CG-CG 4.41Å; R5-H41 PolarHBondContact O-CE1 3.32Å; R5-H41 PolarHBondContact O-NE2 2.83Å
6	S	83.5	Confident	79.7	Confident	10 Å²	10	123.1 Å²	123.1	7%	0.07	58%	0.576	C	S	.	*	B	Isolated β-bridge	trans	-59.9	144.7	169.4	170	0	0	0	0	109.4	F8 G9 E90	S6-F8 PolarHBondContact O-N 3.26Å; S6-F8 WeakPolarHBondContact OG-CB 3.34Å; S6-F8 PolarHBondContact OG-N 2.97Å; S6-G9 WeakPolarHBondContact CB-O 3.41Å; S6-G9 PolarHBondContact O-N 3Å; S6-E90 WeakPolarHBondContact CA-OE2 3.37Å; S6-E90 WeakPolarHBondContact CB-OE1 3.36Å; S6-E90 PolarHBondContact OG-OE1 2.95Å; S6-E90 PolarHBondContact OG-OE2 3.46Å
7	I	78.4	Confident	80.5	Confident	61 Å²	61	123.6 Å²	123.6	31%	0.313	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.1	-25.7	172.8	-56	154.3	0	0	0	110.1	G9 W75 E90 I92	I7-G9 VanDerWaalsContact C-N 3.29Å; I7-G9 PolarHBondContact O-N 3.32Å; I7-W75 HydrophobicContact CD1-CB 4.34Å; I7-W75 HydrophobicContact CG2-CB 4.09Å; I7-W75 VanDerWaalsContact CG2-CD1 3.45Å; I7-W75 HydrophobicContact CG2-CG 3.77Å; I7-E90 HydrophobicContact CD1-CB 3.83Å; I7-E90 WeakPolarHBondContact CD1-OE2 3.3Å; I7-E90 WeakPolarHBondContact CG1-OE2 3.18Å; I7-E90 PolarHBondContact N-OE2 3.11Å; I7-I92 HydrophobicContact CD1-CD1 3.44Å; I7-I92 VanDerWaalsContact CD1-CD1 3.44Å; I7-I92 HydrophobicContact CD1-CG1 3.37Å; I7-I92 HydrophobicContact CG1-CD1 4.02Å; I7-I92 HydrophobicContact CG1-CG1 4.44Å
8	F	72.5	Confident	81.3	Confident	71 Å²	71	119.1 Å²	119.1	31%	0.311	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.9	-1.5	177	-61.5	-73.3	0	0	0	114.4	S6 W75 V77 A143	S6-F8 PolarHBondContact O-N 3.26Å; S6-F8 WeakPolarHBondContact OG-CB 3.34Å; S6-F8 PolarHBondContact OG-N 2.97Å; F8-W75 AromaticContact CE1-CD1 3.8Å; F8-V77 HydrophobicContact CD2-CG2 4.35Å; F8-V77 HydrophobicContact CE2-CG2 3.88Å; F8-A143 HydrophobicContact CZ-CB 4.22Å
9	G	80.2	Confident	82	Confident	42 Å²	42	113.3 Å²	113.3	43%	0.433	54%	0.538	S	S	.	.	B	Isolated β-bridge	trans	99.3	-129.2	-179.2	0	0	0	0	0	112.4	S6 I7	S6-G9 WeakPolarHBondContact CB-O 3.41Å; S6-G9 PolarHBondContact O-N 3Å; I7-G9 VanDerWaalsContact C-N 3.29Å; I7-G9 PolarHBondContact O-N 3.32Å
10	K	86.1	Confident	82.7	Confident	212 Å²	212	110.8 Å²	110.8	92%	0.922	53%	0.528	S	S	*	.			trans	-82.4	143.3	-178.3	-66.3	-174.4	178.6	-176.9	0	110
11	Y	88.8	Confident	83.1	Confident	57 Å²	57	106 Å²	106	22%	0.224	51%	0.506	C	S	.	.			trans	-118.4	156	170	49.8	-100.5	0	0	0	108.7	R4 V13 P19 P39 W88	R4-Y11 WeakPolarHBondContact O-CE1 3.44Å; R4-Y11 PolarHBondContact O-OH 2.79Å; Y11-V13 HydrophobicContact CD2-CG1 4.29Å; Y11-V13 HydrophobicContact CE2-CG1 4.14Å; Y11-P19 HydrophobicContact CD2-CB 3.89Å; Y11-P19 HydrophobicContact CE2-CB 3.59Å; Y11-P19 HydrophobicContact CE2-CG 3.74Å; Y11-P39 HydrophobicContact CE1-CG 4.15Å; Y11-W88 AromaticContact CD1-CH2 3.96Å; Y11-W88 HydrophobicContact CD1-CH2 3.96Å; Y11-W88 AromaticContact CD1-CZ2 3.9Å; Y11-W88 HydrophobicContact CD1-CZ2 3.9Å; Y11-W88 AromaticContact CD2-CH2 3.98Å; Y11-W88 HydrophobicContact CD2-CH2 3.98Å; Y11-W88 AromaticContact CG-CH2 3.66Å; Y11-W88 HydrophobicContact CG-CH2 3.66Å; Y11-W88 AromaticContact CG-CZ2 3.99Å; Y11-W88 HydrophobicContact CG-CZ2 3.99Å
12	D	92.5	Very high	85.5	Confident	126 Å²	126	98 Å²	98	67%	0.674	47%	0.472	S	S	*	.			trans	-72.5	155.7	179.7	-64.9	-34.3	0	0	0	111.3	L20	D12-L20 HydrophobicContact CB-CB 4.28Å; D12-L20 HydrophobicContact CB-CD1 4Å; D12-L20 PolarHBondContact O-N 3.46Å
13	V	94.6	Very high	87.1	Confident	68 Å²	68	93.7 Å²	93.7	41%	0.412	46%	0.46	S	S	.	.	B	Isolated β-bridge	trans	-129.4	152.3	177	-63.5	0	0	0	0	110.2	Y11 V18	Y11-V13 HydrophobicContact CD2-CG1 4.29Å; Y11-V13 HydrophobicContact CE2-CG1 4.14Å; V13-V18 CarbonylContact C-O 3.52Å; V13-V18 VanDerWaalsContact CA-O 3.26Å; V13-V18 WeakPolarHBondContact CA-O 3.24Å
14	T	93.5	Very high	88.3	Confident	46 Å²	46	86.6 Å²	86.6	28%	0.282	45%	0.445	S	S	.	.			trans	-67.1	168.3	168.8	61.6	0	0	0	0	110.8	S16 N17 V18 L20	T14-S16 PolarHBondContact O-N 3.32Å; T14-S16 PolarHBondContact OG1-N 3.44Å; T14-N17 PolarHBondContact O-N 2.95Å; T14-V18 HydrophobicContact CG2-CB 4.31Å; T14-V18 PolarHBondContact N-O 3.41Å; T14-V18 VanDerWaalsContact OG1-CB 3.31Å; T14-V18 WeakPolarHBondContact OG1-CB 3.05Å; T14-V18 PolarHBondContact OG1-N 2.97Å; T14-V18 PolarHBondContact OG1-O 3.21Å; T14-L20 HydrophobicContact CG2-CD2 3.71Å; T14-L20 HydrophobicContact CG2-CG 4.22Å
15	K	94.9	Very high	89.2	Confident	218 Å²	218	90 Å²	90	95%	0.948	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-27	171.7	-66.1	-175.6	179.6	-179.1	0	112.9	N17	K15-N17 VanDerWaalsContact C-N 3.32Å
16	S	94.3	Very high	89.7	Confident	99 Å²	99	83.7 Å²	83.7	69%	0.692	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	17.3	177.2	-48.8	0	0	0	0	113.5	T14 V18	T14-S16 PolarHBondContact O-N 3.32Å; T14-S16 PolarHBondContact OG1-N 3.44Å; S16-V18 VanDerWaalsContact C-N 3.26Å; S16-V18 PolarHBondContact O-N 3.25Å
17	N	93.1	Very high	90.2	Very high	131 Å²	131	86.3 Å²	86.3	70%	0.701	47%	0.469	S	S	*	.	S	Bend	trans	60	27.3	-179.1	-68.5	-48.1	0	0	0	115.3	T14 K15	T14-N17 PolarHBondContact O-N 2.95Å; K15-N17 VanDerWaalsContact C-N 3.32Å
18	V	94.3	Very high	91.1	Very high	42 Å²	42	88.9 Å²	88.9	26%	0.255	48%	0.483	S	S	.	.			trans	-89.4	128.7	173.2	-173.2	0	0	0	0	109.4	V13 T14 S16 Y37 N86	V13-V18 CarbonylContact C-O 3.52Å; V13-V18 VanDerWaalsContact CA-O 3.26Å; V13-V18 WeakPolarHBondContact CA-O 3.24Å; T14-V18 HydrophobicContact CG2-CB 4.31Å; T14-V18 PolarHBondContact N-O 3.41Å; T14-V18 VanDerWaalsContact OG1-CB 3.31Å; T14-V18 WeakPolarHBondContact OG1-CB 3.05Å; T14-V18 PolarHBondContact OG1-N 2.97Å; T14-V18 PolarHBondContact OG1-O 3.21Å; S16-V18 VanDerWaalsContact C-N 3.26Å; S16-V18 PolarHBondContact O-N 3.25Å; V18-Y37 HydrophobicContact CG1-CD1 3.97Å; V18-Y37 HydrophobicContact CG1-CE1 3.98Å; V18-N86 HydrophobicContact CG1-CB 3.63Å; V18-N86 WeakPolarHBondContact CG1-ND2 3.27Å
19	P	95.6	Very high	92.2	Very high	9 Å²	9	90.3 Å²	90.3	6%	0.058	50%	0.501	C	S	.	.	B	Isolated β-bridge	trans	-55.9	146.9	178.7	-26.9	36.7	0	0	0	113.3	Y11 N86 W88	Y11-P19 HydrophobicContact CD2-CB 3.89Å; Y11-P19 HydrophobicContact CE2-CB 3.59Å; Y11-P19 HydrophobicContact CE2-CG 3.74Å; P19-N86 VanDerWaalsContact O-CA 3.26Å; P19-N86 WeakPolarHBondContact O-CA 3.4Å; P19-N86 WeakPolarHBondContact O-CB 3.45Å; P19-N86 PolarHBondContact O-ND2 3.28Å; P19-W88 HydrophobicContact CB-CH2 4.12Å; P19-W88 HydrophobicContact CB-CZ3 3.95Å
20	L	94.7	Very high	92.9	Very high	64 Å²	64	89.2 Å²	89.2	34%	0.335	49%	0.49	S	S	.	.			trans	-109.6	132.2	171.6	-66.2	174.6	0	0	0	109.8	D12 T14 D85 W88	D12-L20 HydrophobicContact CB-CB 4.28Å; D12-L20 HydrophobicContact CB-CD1 4Å; D12-L20 PolarHBondContact O-N 3.46Å; T14-L20 HydrophobicContact CG2-CD2 3.71Å; T14-L20 HydrophobicContact CG2-CG 4.22Å; L20-D85 CarbonylContact C-O 3.45Å; L20-D85 WeakPolarHBondContact CA-O 3.39Å; L20-W88 WeakPolarHBondContact O-CH2 3.22Å; L20-W88 VanDerWaalsContact O-CZ3 3.29Å; L20-W88 WeakPolarHBondContact O-CZ3 3.11Å
21	N	92.3	Very high	93.3	Very high	11 Å²	11	83.6 Å²	83.6	6%	0.059	46%	0.463	C	S	.	.			trans	-61.1	122.6	177.2	-176.4	-22.5	0	0	0	110.2	I23 G24 T84 D85 W88	N21-I23 PolarHBondContact O-N 3.42Å; N21-I23 PolarHBondContact OD1-N 3.47Å; N21-G24 WeakPolarHBondContact CB-O 2.97Å; N21-G24 WeakPolarHBondContact O-CA 3.35Å; N21-G24 PolarHBondContact O-N 3.23Å; N21-T84 WeakPolarHBondContact CB-O 3.14Å; N21-T84 PolarHBondContact ND2-O 3.45Å; N21-D85 PolarHBondContact N-O 2.87Å; N21-W88 HydrophobicContact CB-CE3 4.01Å; N21-W88 HydrophobicContact CB-CZ3 4.48Å
22	P	90.5	Very high	93.7	Very high	76 Å²	76	83.7 Å²	83.7	49%	0.494	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.1	-175.3	30.5	-38.3	0	0	0	113.6	G24 V77 W88	P22-G24 VanDerWaalsContact C-N 3.29Å; P22-V77 HydrophobicContact CG-CG2 3.78Å; P22-W88 VanDerWaalsContact CD-CE2 3.47Å; P22-W88 HydrophobicContact CG-CD2 4.47Å; P22-W88 HydrophobicContact CG-CZ2 4.16Å
23	I	87.7	Confident	93.8	Very high	96 Å²	96	84.9 Å²	84.9	49%	0.492	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-16.7	170.3	-58.1	-174.1	0	0	0	111.1	N21 V77	N21-I23 PolarHBondContact O-N 3.42Å; N21-I23 PolarHBondContact OD1-N 3.47Å; I23-V77 HydrophobicContact CD1-CB 3.6Å; I23-V77 HydrophobicContact CD1-CG1 3.3Å; I23-V77 HydrophobicContact CG1-CB 3.93Å; I23-V77 HydrophobicContact CG1-CG1 3.78Å; I23-V77 HydrophobicContact CG1-CG2 4.47Å
24	G	89.6	Confident	93.8	Very high	36 Å²	36	81.9 Å²	81.9	37%	0.371	47%	0.468	S	S	.	.			trans	109.5	-162.6	-179	0	0	0	0	0	112.7	N21 P22	N21-G24 WeakPolarHBondContact CB-O 2.97Å; N21-G24 WeakPolarHBondContact O-CA 3.35Å; N21-G24 PolarHBondContact O-N 3.23Å; P22-G24 VanDerWaalsContact C-N 3.29Å
25	R	93.6	Very high	93.8	Very high	224 Å²	224	84 Å²	84	85%	0.845	48%	0.483	S	S	*	.			trans	-71.8	131.6	-175.8	-67	-170.8	130.5	98.4	-0.9	111.4	D85	R25-D85 WeakPolarHBondContact CA-OD1 3.33Å; R25-D85 IonicContact NE-OD2 3.76Å
26	T	92.1	Very high	93.7	Very high	59 Å²	59	76.1 Å²	76.1	36%	0.362	45%	0.448	S	S	.	.			trans	-92.8	-17.8	168.3	65.5	0	0	0	0	112.1	L28 N83 T84 D85	T26-L28 PolarHBondContact OG1-N 2.77Å; T26-L28 PolarHBondContact OG1-O 2.92Å; T26-N83 HydrophobicContact CG2-CB 4.44Å; T26-T84 VanDerWaalsContact OG1-CA 3.24Å; T26-T84 WeakPolarHBondContact OG1-CA 3.41Å; T26-D85 WeakPolarHBondContact CA-OD1 3.17Å; T26-D85 PolarHBondContact N-OD1 3.11Å; T26-D85 PolarHBondContact OG1-N 3.39Å; T26-D85 PolarHBondContact OG1-OD1 2.9Å
27	G	95.6	Very high	93.7	Very high	65 Å²	65	75.7 Å²	75.7	67%	0.67	43%	0.431	S	S	*	.	S	Bend	trans	89.3	-1.2	-174.2	0	0	0	0	0	114	D85	G27-D85 PolarHBondContact N-OD1 3.33Å
28	L	96.1	Very high	93.8	Very high	115 Å²	115	69.4 Å²	69.4	60%	0.602	40%	0.398	S	S	*	.			trans	-124.5	123.9	179.2	-62.8	175.6	0	0	0	109.9	T26 T84 D85	T26-L28 PolarHBondContact OG1-N 2.77Å; T26-L28 PolarHBondContact OG1-O 2.92Å; L28-T84 HydrophobicContact CB-CG2 4.34Å; L28-T84 CarbonylContact O-C 3.57Å; L28-T84 WeakPolarHBondContact O-CB 3Å; L28-D85 WeakPolarHBondContact O-CB 3.01Å; L28-D85 PolarHBondContact O-N 3.28Å
29	S	95.6	Very high	93.8	Very high	100 Å²	100	67.4 Å²	67.4	70%	0.699	39%	0.386	S	S	*	.			trans	-94.7	168.8	177.1	66.8	0	0	0	0	112.3
30	G	95.8	Very high	93.7	Very high	19 Å²	19	67.4 Å²	67.4	20%	0.196	39%	0.385	C	S	.	.	S	Bend	trans	84.9	-164.1	-175.6	0	0	0	0	0	112.5	T84 N86	G30-T84 WeakPolarHBondContact O-CB 2.82Å; G30-T84 PolarHBondContact O-OG1 3.04Å; G30-N86 PolarHBondContact N-OD1 2.91Å; G30-N86 WeakPolarHBondContact O-CB 3.32Å
31	R	95	Very high	93.4	Very high	95 Å²	95	67 Å²	67	36%	0.358	38%	0.382	S	S	.	.			trans	-92.9	-16.7	179.3	-69.1	-177.7	-73.1	103.1	-1.9	114.2	L33 L34 Y37 A87	R31-L33 PolarHBondContact O-N 3.47Å; R31-L34 PolarHBondContact NH1-O 2.73Å; R31-L34 WeakPolarHBondContact O-CB 3.44Å; R31-L34 PolarHBondContact O-N 2.91Å; R31-L34 VanDerWaalsContact O-N 3.11Å; R31-Y37 HydrophobicContact CG-CD1 3.42Å; R31-Y37 VanDerWaalsContact CG-CD1 3.42Å; R31-Y37 HydrophobicContact CG-CD2 3.52Å; R31-Y37 HydrophobicContact CG-CE1 3.56Å; R31-Y37 HydrophobicContact CG-CE2 3.62Å; R31-Y37 HydrophobicContact CG-CG 3.39Å; R31-A87 HydrophobicContact CB-CB 4.22Å; R31-A87 HydrophobicContact CG-CB 4.27Å
32	G	95.6	Very high	93.1	Very high	58 Å²	58	69.8 Å²	69.8	60%	0.598	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	-131.1	-166.5	0	0	0	0	0	111.6	L34	G32-L34 VanDerWaalsContact C-N 3.3Å; G32-L34 PolarHBondContact O-N 2.95Å
33	L	95.5	Very high	92.7	Very high	152 Å²	152	70.1 Å²	70.1	80%	0.796	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-5.1	-179.4	-63.8	176.6	0	0	0	114.1	R31 R82	R31-L33 PolarHBondContact O-N 3.47Å; L33-R82 HydrophobicContact CB-CG 4.46Å
34	L	94.6	Very high	92.3	Very high	4 Å²	4	66.6 Å²	66.6	2%	0.021	38%	0.378	C	S	.	.			trans	-79.9	140.5	-177.7	-65	174.8	0	0	0	111.4	R31 G32 R36 N40 R82 A87 V89	R31-L34 PolarHBondContact NH1-O 2.73Å; R31-L34 WeakPolarHBondContact O-CB 3.44Å; R31-L34 PolarHBondContact O-N 2.91Å; R31-L34 VanDerWaalsContact O-N 3.11Å; G32-L34 VanDerWaalsContact C-N 3.3Å; G32-L34 PolarHBondContact O-N 2.95Å; L34-R36 PolarHBondContact O-N 2.02Å; L34-R36 VanDerWaalsContact O-N 3.17Å; L34-N40 HydrophobicContact CD2-CB 4.25Å; L34-R82 HydrophobicContact CD2-CB 3.9Å; L34-R82 HydrophobicContact CG-CB 4Å; L34-A87 HydrophobicContact CB-CB 4.07Å; L34-A87 HydrophobicContact CD1-CB 3.79Å; L34-V89 HydrophobicContact CD1-CG2 4.23Å; L34-V89 HydrophobicContact CD2-CG2 3.7Å
35	P	93.2	Very high	91.8	Very high	92 Å²	92	69.5 Å²	69.5	60%	0.597	39%	0.385	S	S	*	.	S	Bend	trans	-67.8	-18.7	-175.4	25.7	-33.9	0	0	0	113.2	N40	P35-N40 WeakPolarHBondContact CD-OD1 3.1Å; P35-N40 WeakPolarHBondContact CG-OD1 3.24Å
36	R	92.8	Very high	91.2	Very high	52 Å²	52	59.1 Å²	59.1	20%	0.196	35%	0.346	C	S	.	.	S	Bend	trans	-138.9	150.2	-174.9	-59.6	-177.5	-67.9	-97.4	-1.8	112.5	L34 N40 A87	L34-R36 PolarHBondContact O-N 2.02Å; L34-R36 VanDerWaalsContact O-N 3.17Å; R36-N40 PolarHBondContact N-OD1 3.33Å; R36-N40 PolarHBondContact O-ND2 2.99Å; R36-A87 VanDerWaalsContact O-CB 3.26Å; R36-A87 WeakPolarHBondContact O-CB 3.19Å
37	Y	95	Very high	90.9	Very high	89 Å²	89	57.7 Å²	57.7	35%	0.349	34%	0.336	S	S	.	.	S	Bend	trans	-70.1	145.6	164.4	-77.9	-79.5	0	0	0	109	V18 R31 N86	V18-Y37 HydrophobicContact CG1-CD1 3.97Å; V18-Y37 HydrophobicContact CG1-CE1 3.98Å; R31-Y37 HydrophobicContact CG-CD1 3.42Å; R31-Y37 VanDerWaalsContact CG-CD1 3.42Å; R31-Y37 HydrophobicContact CG-CD2 3.52Å; R31-Y37 HydrophobicContact CG-CE1 3.56Å; R31-Y37 HydrophobicContact CG-CE2 3.62Å; R31-Y37 HydrophobicContact CG-CG 3.39Å; Y37-N86 CarbonylContact C-O 3.58Å; Y37-N86 HydrophobicContact CD1-CB 3.78Å; Y37-N86 HydrophobicContact CE1-CB 4Å
38	G	94.8	Very high	90.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.8	-141.1	-175.7	0	0	0	0	0	112.1	N40 N86 A87 W88	G38-N40 PolarHBondContact O-ND2 3.41Å; G38-N40 VanDerWaalsContact O-ND2 3.08Å; G38-N86 PolarHBondContact N-O 3.14Å; G38-A87 WeakPolarHBondContact O-CA 3.27Å; G38-W88 PolarHBondContact O-N 2.66Å
39	P	93.6	Very high	89.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136.7	-172.9	30.1	-35.8	0	0	0	113.5	R4 Y11 W88 E90	R4-P39 WeakPolarHBondContact O-CG 3.22Å; Y11-P39 HydrophobicContact CE1-CG 4.15Å; P39-W88 CarbonylContact C-O 3.59Å; P39-W88 HydrophobicContact CB-CZ2 4.27Å; P39-E90 VanDerWaalsContact CB-CD 3.48Å; P39-E90 HydrophobicContact CB-CG 3.85Å
40	N	93.4	Very high	89.4	Confident	8 Å²	8	50 Å²	50	4%	0.043	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	101.3	173.9	-68.9	-90.4	0	0	0	108.9	L34 P35 R36 G38 L42 W88 V89 E90	L34-N40 HydrophobicContact CD2-CB 4.25Å; P35-N40 WeakPolarHBondContact CD-OD1 3.1Å; P35-N40 WeakPolarHBondContact CG-OD1 3.24Å; R36-N40 PolarHBondContact N-OD1 3.33Å; R36-N40 PolarHBondContact O-ND2 2.99Å; G38-N40 PolarHBondContact O-ND2 3.41Å; G38-N40 VanDerWaalsContact O-ND2 3.08Å; N40-L42 PolarHBondContact O-N 3.11Å; N40-W88 WeakPolarHBondContact CB-O 3.42Å; N40-W88 PolarHBondContact N-O 3.09Å; N40-W88 PolarHBondContact ND2-O 3.36Å; N40-V89 CarbonylContact O-C 3.5Å; N40-V89 VanDerWaalsContact O-CA 3.27Å; N40-V89 WeakPolarHBondContact O-CA 3.49Å; N40-E90 PolarHBondContact O-N 3.39Å
41	H	89.1	Confident	88.6	Confident	57 Å²	57	51.4 Å²	51.4	26%	0.264	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.4	-172.5	-55.5	-55.8	0	0	0	112.9	R5 E90	R5-H41 PolarHBondContact O-CE1 3.32Å; R5-H41 PolarHBondContact O-NE2 2.83Å; H41-E90 CarbonylContact C-O 3.53Å; H41-E90 VanDerWaalsContact CA-O 3.26Å; H41-E90 WeakPolarHBondContact CA-O 3.45Å; H41-E90 IonicContact CE1-OE2 2.86Å; H41-E90 PolarHBondContact CE1-OE2 2.74Å; H41-E90 VanDerWaalsContact CE1-OE2 3.24Å; H41-E90 IonicContact ND1-OE2 3.93Å; H41-E90 PolarHBondContact ND1-OE2 3.33Å
42	L	85.3	Confident	88.1	Confident	68 Å²	68	53.8 Å²	53.8	36%	0.356	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.1	171.2	173.5	62.3	0	0	0	108.5	N40 I44 V89 E90 Q91 I92	N40-L42 PolarHBondContact O-N 3.11Å; L42-I44 HydrophobicContact CD2-CD1 4.3Å; L42-I44 HydrophobicContact CD2-CG1 4.41Å; L42-I44 HydrophobicContact CG-CG1 4.14Å; L42-V89 HydrophobicContact CB-CG1 3.77Å; L42-V89 HydrophobicContact CD2-CG1 4.28Å; L42-E90 PolarHBondContact N-O 2.74Å; L42-Q91 CarbonylContact O-C 3.56Å; L42-Q91 VanDerWaalsContact O-CA 3.27Å; L42-Q91 WeakPolarHBondContact O-CA 3.21Å; L42-I92 PolarHBondContact O-N 2.61Å
43	V	83.5	Confident	87.7	Confident	84 Å²	84	52.6 Å²	52.6	51%	0.509	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.2	175.6	-178.6	0	0	0	0	109.1	L45 I92	V43-L45 HydrophobicContact CG1-CD2 4.01Å; V43-L45 HydrophobicContact CG1-CG 4.44Å; V43-I92 CarbonylContact C-O 3.6Å; V43-I92 WeakPolarHBondContact CA-O 3.5Å
44	I	79.2	Confident	87.2	Confident	21 Å²	21	47 Å²	47	11%	0.108	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.7	176.5	-60.2	-162.8	0	0	0	108.2	L42 I67 Q91 I92 V93 W94	L42-I44 HydrophobicContact CD2-CD1 4.3Å; L42-I44 HydrophobicContact CD2-CG1 4.41Å; L42-I44 HydrophobicContact CG-CG1 4.14Å; I44-I67 HydrophobicContact CG2-CB 4.35Å; I44-I67 HydrophobicContact CG2-CG1 4.19Å; I44-I67 HydrophobicContact CG2-CG2 3.42Å; I44-I67 VanDerWaalsContact CG2-CG2 3.42Å; I44-Q91 HydrophobicContact CD1-CG 3.99Å; I44-Q91 HydrophobicContact CG1-CG 4.19Å; I44-I92 PolarHBondContact N-O 3.05Å; I44-V93 HydrophobicContact CB-CG2 4.23Å; I44-V93 HydrophobicContact CG2-CG1 4.36Å; I44-V93 WeakPolarHBondContact O-CA 3.31Å; I44-W94 PolarHBondContact O-N 3.05Å
45	L	78.8	Confident	86.8	Confident	97 Å²	97	48.1 Å²	48.1	51%	0.508	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.3	178.5	-60.5	-179.5	0	0	0	110.3	V43 L47 W94	V43-L45 HydrophobicContact CG1-CD2 4.01Å; V43-L45 HydrophobicContact CG1-CG 4.44Å; L45-L47 HydrophobicContact CB-CD2 4.47Å; L45-W94 HydrophobicContact CD2-CB 3.86Å
46	I	80.9	Confident	86.5	Confident	7 Å²	7	44.1 Å²	44.1	4%	0.036	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	103.9	169.9	-59	171.2	0	0	0	107.3	Y56 I67 V69 V93 W94 K95 I96	I46-Y56 HydrophobicContact CG2-CD1 4.08Å; I46-Y56 HydrophobicContact CG2-CE1 4.15Å; I46-I67 HydrophobicContact CG1-CG2 4.22Å; I46-V69 HydrophobicContact CD1-CG1 4.22Å; I46-V69 HydrophobicContact CG2-CG1 4.5Å; I46-V93 HydrophobicContact CD1-CG1 3.56Å; I46-V93 HydrophobicContact CG1-CG1 4.11Å; I46-W94 PolarHBondContact N-O 2.53Å; I46-K95 HydrophobicContact CB-CB 4.45Å; I46-K95 HydrophobicContact CG2-CG 4.41Å; I46-K95 WeakPolarHBondContact O-CA 3.27Å; I46-I96 PolarHBondContact O-N 3.25Å
47	L	84.6	Confident	86.2	Confident	28 Å²	28	42.7 Å²	42.7	15%	0.147	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.5	176.4	-52.1	-178.6	0	0	0	109.5	L45 Y56 A57 I96 L104 W119	L45-L47 HydrophobicContact CB-CD2 4.47Å; L47-Y56 VanDerWaalsContact O-CA 3.31Å; L47-Y56 WeakPolarHBondContact O-CA 3.3Å; L47-A57 HydrophobicContact CB-CB 3.81Å; L47-A57 HydrophobicContact CD1-CB 4.04Å; L47-A57 HydrophobicContact CG-CB 4.28Å; L47-A57 PolarHBondContact O-N 2.87Å; L47-A57 VanDerWaalsContact O-N 3.15Å; L47-I96 HydrophobicContact CD2-CB 3.93Å; L47-I96 HydrophobicContact CD2-CD1 3.92Å; L47-I96 HydrophobicContact CD2-CG1 4.28Å; L47-L104 HydrophobicContact CB-CD1 4.28Å; L47-L104 HydrophobicContact CD2-CD2 4.3Å; L47-W119 HydrophobicContact CB-CH2 4.05Å; L47-W119 HydrophobicContact CB-CZ3 4.32Å
48	K	85.8	Confident	85.5	Confident	27 Å²	27	38.9 Å²	38.9	12%	0.117	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.4	175	175.6	-178.4	174.9	163	0	109.2	E54 Q55 Y56 I96 S97 D98 L104	K48-E54 IonicContact NZ-OE1 3.28Å; K48-E54 PolarHBondContact NZ-OE1 2.79Å; K48-E54 IonicContact NZ-OE2 3.37Å; K48-E54 PolarHBondContact NZ-OE2 2.84Å; K48-Q55 WeakPolarHBondContact CA-O 3.31Å; K48-Y56 HydrophobicContact CB-CD1 4.25Å; K48-Y56 HydrophobicContact CB-CE1 4.01Å; K48-Y56 HydrophobicContact CD-CE1 4.33Å; K48-Y56 HydrophobicContact CG-CE1 4.24Å; K48-Y56 HydrophobicContact CG-CE2 4.4Å; K48-I96 PolarHBondContact N-O 3.04Å; K48-S97 CarbonylContact O-C 3.31Å; K48-S97 VanDerWaalsContact O-CA 3.31Å; K48-S97 WeakPolarHBondContact O-CA 3.37Å; K48-D98 PolarHBondContact O-N 3.49Å; K48-L104 VanDerWaalsContact O-CD1 3.32Å; K48-L104 WeakPolarHBondContact O-CD1 3.47Å
49	R	86.8	Confident	84.8	Confident	28 Å²	28	40.6 Å²	40.6	11%	0.106	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157.5	166.8	70.6	-173.4	-166.3	174.7	2.2	110.4	Q55 D98 F101 L104 M107 W119	R49-Q55 HydrophobicContact CG-CB 3.93Å; R49-Q55 PolarHBondContact N-O 2.98Å; R49-Q55 VanDerWaalsContact NH2-OE1 3.17Å; R49-Q55 PolarHBondContact O-N 2.66Å; R49-D98 HydrophobicContact CB-CB 4.5Å; R49-F101 HydrophobicContact CB-CD2 4.08Å; R49-F101 HydrophobicContact CB-CE2 4.07Å; R49-F101 HydrophobicContact CG-CD2 4.21Å; R49-F101 HydrophobicContact CG-CE2 3.69Å; R49-F101 VanDerWaalsContact CZ-CZ 3.43Å; R49-L104 HydrophobicContact CB-CB 4.14Å; R49-L104 HydrophobicContact CB-CD1 4.48Å; R49-L104 PolarHBondContact NH1-O 2.88Å; R49-M107 PolarHBondContact NH1-O 2.88Å; R49-W119 HydrophobicContact CB-CH2 4.39Å; R49-W119 HydrophobicContact CB-CZ3 4.31Å; R49-W119 HydrophobicContact CG-CD2 4.29Å; R49-W119 HydrophobicContact CG-CE3 3.82Å; R49-W119 HydrophobicContact CG-CH2 3.97Å; R49-W119 HydrophobicContact CG-CZ2 4.4Å; R49-W119 HydrophobicContact CG-CZ3 3.65Å; R49-W119 VanDerWaalsContact CZ-CD2 3.49Å; R49-W119 VanDerWaalsContact CZ-CG 3.47Å; R49-W119 VanDerWaalsContact NE-CE2 3.34Å; R49-W119 VanDerWaalsContact NH2-CG 3.31Å
50	I	83.5	Confident	83.8	Confident	63 Å²	63	44.4 Å²	44.4	32%	0.323	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	118.6	175	-60.3	176.2	0	0	0	107.4	D98 R99 F101	I50-D98 PolarHBondContact N-O 3.26Å; I50-R99 HydrophobicContact CD1-CG 4.31Å; I50-F101 WeakPolarHBondContact O-CD2 3.32Å
51	S	79.6	Confident	82.7	Confident	50 Å²	50	49.1 Å²	49.1	35%	0.35	27%	0.267	S	S	.	.	S	Bend	trans	-116.7	-123.5	168.9	63.2	0	0	0	0	108.3	C53 Q55	S51-C53 PolarHBondContact N-O 2.84Å; S51-C53 VanDerWaalsContact N-O 3.09Å; S51-C53 PolarHBondContact O-N 2.97Å; S51-Q55 PolarHBondContact OG-NE2 3.03Å; S51-Q55 PolarHBondContact OG-OE1 3.15Å
52	V	84.8	Confident	81.2	Confident	144 Å²	144	47.9 Å²	47.9	87%	0.873	27%	0.271	S	S	*	.	S	Bend	trans	-63.2	-22.5	167	-63.7	0	0	0	0	112.8
53	C	86.4	Confident	79.6	Confident	33 Å²	33	46.2 Å²	46.2	22%	0.223	27%	0.266	C	S	.	.	S	Bend	trans	-144.7	170.9	-178.8	70	0	0	0	0	109.7	S51 Q55 C121	S51-C53 PolarHBondContact N-O 2.84Å; S51-C53 VanDerWaalsContact N-O 3.09Å; S51-C53 PolarHBondContact O-N 2.97Å; C53-Q55 PolarHBondContact O-N 3.47Å; C53-Q55 WeakPolarHBondContact SG-CG 3.44Å; C53-C121 HydrophobicContact CB-CB 3.87Å; C53-C121 WeakPolarHBondContact CB-SG 3.4Å; C53-C121 VanDerWaalsContact SG-CA 3.55Å; C53-C121 WeakPolarHBondContact SG-CB 3.33Å; C53-C121 CovalentContact SG-SG 2.02Å; C53-C121 PolarHBondContact SG-SG 2.76Å
54	E	85.5	Confident	78.1	Confident	36 Å²	36	44.2 Å²	44.2	17%	0.168	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	110.8	167	-61	-159.3	154.1	0	0	109.9	K48 Y56 C121 M122 K124	K48-E54 IonicContact NZ-OE1 3.28Å; K48-E54 PolarHBondContact NZ-OE1 2.79Å; K48-E54 IonicContact NZ-OE2 3.37Å; K48-E54 PolarHBondContact NZ-OE2 2.84Å; E54-Y56 HydrophobicContact CB-CE2 4.38Å; E54-C121 CarbonylContact O-C 3.54Å; E54-C121 WeakPolarHBondContact O-CA 3.43Å; E54-M122 PolarHBondContact O-N 2.99Å; E54-K124 VanDerWaalsContact CD-CE 3.44Å; E54-K124 WeakPolarHBondContact OE1-CE 3.3Å; E54-K124 IonicContact OE1-NZ 2.79Å
55	Q	86.9	Confident	76.6	Confident	26 Å²	26	49.7 Å²	49.7	12%	0.121	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	144.9	-179.1	-64.1	-173.8	-27.1	0	0	111.6	K48 R49 S51 C53 W119 K120	K48-Q55 WeakPolarHBondContact CA-O 3.31Å; R49-Q55 HydrophobicContact CG-CB 3.93Å; R49-Q55 PolarHBondContact N-O 2.98Å; R49-Q55 VanDerWaalsContact NH2-OE1 3.17Å; R49-Q55 PolarHBondContact O-N 2.66Å; S51-Q55 PolarHBondContact OG-NE2 3.03Å; S51-Q55 PolarHBondContact OG-OE1 3.15Å; C53-Q55 PolarHBondContact O-N 3.47Å; C53-Q55 WeakPolarHBondContact SG-CG 3.44Å; Q55-W119 HydrophobicContact CB-CE3 4.03Å; Q55-K120 WeakPolarHBondContact CA-O 3.48Å
56	Y	86.8	Confident	74.9	Confident	8 Å²	8	51.2 Å²	51.2	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.4	174.2	-69.6	-103.2	0	0	0	110.1	I46 L47 K48 E54 V58 K120 M122 V127	I46-Y56 HydrophobicContact CG2-CD1 4.08Å; I46-Y56 HydrophobicContact CG2-CE1 4.15Å; L47-Y56 VanDerWaalsContact O-CA 3.31Å; L47-Y56 WeakPolarHBondContact O-CA 3.3Å; K48-Y56 HydrophobicContact CB-CD1 4.25Å; K48-Y56 HydrophobicContact CB-CE1 4.01Å; K48-Y56 HydrophobicContact CD-CE1 4.33Å; K48-Y56 HydrophobicContact CG-CE1 4.24Å; K48-Y56 HydrophobicContact CG-CE2 4.4Å; E54-Y56 HydrophobicContact CB-CE2 4.38Å; Y56-V58 PolarHBondContact O-N 3.18Å; Y56-K120 PolarHBondContact N-O 2.81Å; Y56-K120 PolarHBondContact O-N 2.85Å; Y56-M122 HydrophobicContact CD1-CE 3.75Å; Y56-M122 HydrophobicContact CD2-CB 3.92Å; Y56-M122 HydrophobicContact CD2-CE 3.31Å; Y56-M122 HydrophobicContact CD2-CG 4.05Å; Y56-M122 HydrophobicContact CE1-CE 4.24Å; Y56-M122 HydrophobicContact CE2-CB 4.21Å; Y56-M122 HydrophobicContact CE2-CE 3.88Å; Y56-M122 HydrophobicContact CG-CE 3.24Å; Y56-V127 HydrophobicContact CE2-CG2 3.84Å
57	A	85	Confident	73.2	Confident	22 Å²	22	53.4 Å²	53.4	18%	0.182	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	124.5	169.7	0	0	0	0	0	109	L47 F109 I117 W119	L47-A57 HydrophobicContact CB-CB 3.81Å; L47-A57 HydrophobicContact CD1-CB 4.04Å; L47-A57 HydrophobicContact CG-CB 4.28Å; L47-A57 PolarHBondContact O-N 2.87Å; L47-A57 VanDerWaalsContact O-N 3.15Å; A57-F109 HydrophobicContact CB-CE2 4Å; A57-I117 HydrophobicContact CB-CG2 3.84Å; A57-W119 HydrophobicContact CB-CE3 4.36Å; A57-W119 HydrophobicContact CB-CH2 4.33Å; A57-W119 HydrophobicContact CB-CZ3 4.07Å
58	V	81.7	Confident	71.3	Confident	9 Å²	9	53.8 Å²	53.8	6%	0.055	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	156	179.9	-56.5	0	0	0	0	109.4	Y56 F64 I117 K118 K120	Y56-V58 PolarHBondContact O-N 3.18Å; V58-F64 HydrophobicContact CB-CE2 4.46Å; V58-F64 HydrophobicContact CG1-CD2 4.01Å; V58-F64 HydrophobicContact CG1-CE2 3.52Å; V58-F64 HydrophobicContact CG1-CZ 4.48Å; V58-I117 CarbonylContact O-C 3.54Å; V58-I117 VanDerWaalsContact O-CA 3.24Å; V58-I117 WeakPolarHBondContact O-CA 3.25Å; V58-K118 HydrophobicContact CG2-CG 3.85Å; V58-K118 PolarHBondContact N-O 2.79Å; V58-K118 PolarHBondContact O-N 3.03Å; V58-K120 HydrophobicContact CG1-CB 4.26Å; V58-K120 HydrophobicContact CG2-CB 3.65Å; V58-K120 HydrophobicContact CG2-CD 4.08Å
59	T	78.9	Confident	69.4	Low	36 Å²	36	52.7 Å²	52.7	22%	0.221	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	158.5	176.4	56.1	0	0	0	0	112.2	D61 G62 A63 K116	T59-D61 VanDerWaalsContact C-N 3.34Å; T59-D61 WeakPolarHBondContact CB-OD1 3.48Å; T59-D61 PolarHBondContact O-N 2.86Å; T59-D61 PolarHBondContact OG1-OD1 2.87Å; T59-G62 WeakPolarHBondContact O-CA 3.48Å; T59-G62 PolarHBondContact O-N 2.86Å; T59-A63 PolarHBondContact OG1-O 3.12Å; T59-K116 CarbonylContact C-O 3.41Å; T59-K116 VanDerWaalsContact C-O 3.31Å; T59-K116 WeakPolarHBondContact CA-O 3.2Å; T59-K116 VanDerWaalsContact CB-O 3.27Å; T59-K116 WeakPolarHBondContact CB-O 3.2Å
60	K	73.1	Confident	67.6	Low	81 Å²	81	51.8 Å²	51.8	35%	0.352	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-38.8	-172.9	-82.5	-177.7	-175.3	167.1	0	112.9	G62 N112 F115 K116 K118	K60-G62 PolarHBondContact O-N 3.42Å; K60-G62 VanDerWaalsContact O-N 3.11Å; K60-N112 PolarHBondContact NZ-O 2.75Å; K60-F115 WeakPolarHBondContact CE-O 3.35Å; K60-F115 PolarHBondContact NZ-O 2.69Å; K60-K116 PolarHBondContact N-O 2.9Å; K60-K118 PolarHBondContact O-NZ 2.85Å
61	D	70.9	Confident	65.7	Low	106 Å²	106	52.2 Å²	52.2	57%	0.567	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-5.8	172.7	60.6	-6.9	0	0	0	113.3	T59 A63 H65	T59-D61 VanDerWaalsContact C-N 3.34Å; T59-D61 WeakPolarHBondContact CB-OD1 3.48Å; T59-D61 PolarHBondContact O-N 2.86Å; T59-D61 PolarHBondContact OG1-OD1 2.87Å; D61-A63 HydrophobicContact CB-CB 4.48Å; D61-A63 VanDerWaalsContact CG-CB 3.42Å; D61-A63 PolarHBondContact O-N 2.81Å; D61-A63 VanDerWaalsContact O-N 3.11Å; D61-A63 WeakPolarHBondContact OD1-CB 2.85Å; D61-A63 PolarHBondContact OD1-N 3.01Å; D61-A63 WeakPolarHBondContact OD2-CB 2.95Å; D61-H65 IonicContact OD2-NE2 3.83Å
62	G	56.9	Low	64.4	Low	32 Å²	32	54 Å²	54	33%	0.33	31%	0.309	S	S	.	.			trans	69.1	2.1	-175.3	0	0	0	0	0	112.8	T59 K60 F64	T59-G62 WeakPolarHBondContact O-CA 3.48Å; T59-G62 PolarHBondContact O-N 2.86Å; K60-G62 PolarHBondContact O-N 3.42Å; K60-G62 VanDerWaalsContact O-N 3.11Å; G62-F64 PolarHBondContact O-N 3.49Å
63	A	51.2	Low	63.1	Low	32 Å²	32	51.2 Å²	51.2	26%	0.264	29%	0.288	S	S	.	.			trans	-70.1	103.1	173	0	0	0	0	0	107.1	T59 D61 H65	T59-A63 PolarHBondContact OG1-O 3.12Å; D61-A63 HydrophobicContact CB-CB 4.48Å; D61-A63 VanDerWaalsContact CG-CB 3.42Å; D61-A63 PolarHBondContact O-N 2.81Å; D61-A63 VanDerWaalsContact O-N 3.11Å; D61-A63 WeakPolarHBondContact OD1-CB 2.85Å; D61-A63 PolarHBondContact OD1-N 3.01Å; D61-A63 WeakPolarHBondContact OD2-CB 2.95Å; A63-H65 PolarHBondContact O-N 2.99Å
64	F	53.5	Low	62.1	Low	42 Å²	42	50.7 Å²	50.7	18%	0.184	28%	0.282	C	S	.	.			trans	-60.6	90.6	146.7	-111.2	-92.6	0	0	0	104.6	V58 G62 D66 I67 V69 M122	V58-F64 HydrophobicContact CB-CE2 4.46Å; V58-F64 HydrophobicContact CG1-CD2 4.01Å; V58-F64 HydrophobicContact CG1-CE2 3.52Å; V58-F64 HydrophobicContact CG1-CZ 4.48Å; G62-F64 PolarHBondContact O-N 3.49Å; F64-D66 PolarHBondContact O-N 3.23Å; F64-I67 HydrophobicContact CD1-CB 3.39Å; F64-I67 HydrophobicContact CD1-CG1 4.48Å; F64-I67 HydrophobicContact CD1-CG2 4.11Å; F64-I67 WeakPolarHBondContact CD1-O 3.33Å; F64-I67 HydrophobicContact CE1-CB 3.42Å; F64-I67 VanDerWaalsContact CE1-CB 3.42Å; F64-I67 HydrophobicContact CE1-CG2 3.6Å; F64-I67 WeakPolarHBondContact CE1-O 3.09Å; F64-V69 HydrophobicContact CD1-CG2 3.98Å; F64-V69 HydrophobicContact CE1-CG2 3.19Å; F64-V69 HydrophobicContact CE2-CG2 4.3Å; F64-V69 HydrophobicContact CZ-CG2 3.39Å; F64-M122 HydrophobicContact CE2-CE 4.29Å
65	H	47	Very low	61.3	Low	136 Å²	136	52 Å²	52	63%	0.63	29%	0.285	S	S	*	.			trans	-60.6	83.1	169.6	-84.7	-56.1	0	0	0	105.8	D61 A63 I67	D61-H65 IonicContact OD2-NE2 3.83Å; A63-H65 PolarHBondContact O-N 2.99Å; H65-I67 PolarHBondContact O-N 3.02Å
66	D	43.3	Very low	60.7	Low	129 Å²	129	50.8 Å²	50.8	69%	0.69	28%	0.279	S	S	*	.	S	Bend	trans	33.3	39	-177.1	-63.7	-48.6	0	0	0	115	F64 E68	F64-D66 PolarHBondContact O-N 3.23Å; D66-E68 PolarHBondContact O-N 3.45Å
67	I	44.5	Very low	60.5	Low	54 Å²	54	51 Å²	51	28%	0.277	28%	0.282	S	S	.	.			trans	-78.4	78.2	167.9	-58.4	170	0	0	0	105.9	I44 I46 F64 H65 V69	I44-I67 HydrophobicContact CG2-CB 4.35Å; I44-I67 HydrophobicContact CG2-CG1 4.19Å; I44-I67 HydrophobicContact CG2-CG2 3.42Å; I44-I67 VanDerWaalsContact CG2-CG2 3.42Å; I46-I67 HydrophobicContact CG1-CG2 4.22Å; F64-I67 HydrophobicContact CD1-CB 3.39Å; F64-I67 HydrophobicContact CD1-CG1 4.48Å; F64-I67 HydrophobicContact CD1-CG2 4.11Å; F64-I67 WeakPolarHBondContact CD1-O 3.33Å; F64-I67 HydrophobicContact CE1-CB 3.42Å; F64-I67 VanDerWaalsContact CE1-CB 3.42Å; F64-I67 HydrophobicContact CE1-CG2 3.6Å; F64-I67 WeakPolarHBondContact CE1-O 3.09Å; H65-I67 PolarHBondContact O-N 3.02Å; I67-V69 WeakPolarHBondContact O-CG2 3.37Å; I67-V69 PolarHBondContact O-N 2.9Å
68	E	44.4	Very low	60.3	Low	35 Å²	35	50.2 Å²	50.2	16%	0.164	28%	0.275	C	S	.	.			trans	-45.6	103.2	166.2	-74.8	-171.8	152.3	0	0	108.8	D66 F70 A134 N138	D66-E68 PolarHBondContact O-N 3.45Å; E68-F70 HydrophobicContact CB-CD2 3.97Å; E68-F70 HydrophobicContact CB-CE2 3.18Å; E68-F70 HydrophobicContact CB-CZ 3.55Å; E68-F70 HydrophobicContact CG-CE2 4.32Å; E68-F70 HydrophobicContact CG-CZ 4.36Å; E68-F70 WeakPolarHBondContact O-CD2 3.22Å; E68-F70 WeakPolarHBondContact O-CE2 3.39Å; E68-F70 PolarHBondContact O-N 3.36Å; E68-F70 WeakPolarHBondContact OE2-CE2 3.43Å; E68-F70 VanDerWaalsContact OE2-CZ 3.26Å; E68-F70 WeakPolarHBondContact OE2-CZ 3.45Å; E68-A134 HydrophobicContact CB-CB 3.44Å; E68-A134 VanDerWaalsContact CB-CB 3.44Å; E68-A134 HydrophobicContact CG-CB 3.86Å; E68-N138 PolarHBondContact OE2-ND2 3.5Å
69	V	45.8	Very low	60.3	Low	5 Å²	5	54.1 Å²	54.1	3%	0.03	30%	0.295	C	S	.	.			trans	-75	95	-169.6	-179.4	0	0	0	0	107.1	I46 F64 I67 V127 V131	I46-V69 HydrophobicContact CD1-CG1 4.22Å; I46-V69 HydrophobicContact CG2-CG1 4.5Å; F64-V69 HydrophobicContact CD1-CG2 3.98Å; F64-V69 HydrophobicContact CE1-CG2 3.19Å; F64-V69 HydrophobicContact CE2-CG2 4.3Å; F64-V69 HydrophobicContact CZ-CG2 3.39Å; I67-V69 WeakPolarHBondContact O-CG2 3.37Å; I67-V69 PolarHBondContact O-N 2.9Å; V69-V127 HydrophobicContact CG1-CG1 4.1Å; V69-V131 HydrophobicContact CB-CG2 4.23Å; V69-V131 HydrophobicContact CG1-CG2 4Å; V69-V131 WeakPolarHBondContact O-CA 3.12Å; V69-V131 WeakPolarHBondContact O-CB 3.47Å; V69-V131 WeakPolarHBondContact O-CG1 3.19Å; V69-V131 WeakPolarHBondContact O-CG2 3.24Å
70	F	50.1	Low	60.6	Low	9 Å²	9	54 Å²	54	4%	0.039	29%	0.292	C	S	.	.			trans	-90.1	152.8	-177.6	-68.9	-76.6	0	0	0	113.3	E68 S72 V93 A134 R135 N138	E68-F70 HydrophobicContact CB-CD2 3.97Å; E68-F70 HydrophobicContact CB-CE2 3.18Å; E68-F70 HydrophobicContact CB-CZ 3.55Å; E68-F70 HydrophobicContact CG-CE2 4.32Å; E68-F70 HydrophobicContact CG-CZ 4.36Å; E68-F70 WeakPolarHBondContact O-CD2 3.22Å; E68-F70 WeakPolarHBondContact O-CE2 3.39Å; E68-F70 PolarHBondContact O-N 3.36Å; E68-F70 WeakPolarHBondContact OE2-CE2 3.43Å; E68-F70 VanDerWaalsContact OE2-CZ 3.26Å; E68-F70 WeakPolarHBondContact OE2-CZ 3.45Å; F70-S72 PolarHBondContact O-N 3.29Å; F70-V93 HydrophobicContact CB-CG1 4.42Å; F70-V93 HydrophobicContact CD2-CG2 4.08Å; F70-A134 HydrophobicContact CD1-CB 4.09Å; F70-A134 HydrophobicContact CE1-CB 3.53Å; F70-A134 WeakPolarHBondContact CE1-O 3.36Å; F70-A134 HydrophobicContact CE2-CB 4.16Å; F70-A134 HydrophobicContact CZ-CB 3.53Å; F70-A134 WeakPolarHBondContact CZ-O 3.47Å; F70-R135 HydrophobicContact CE1-CB 4.35Å; F70-N138 WeakPolarHBondContact CZ-ND2 3.02Å
71	P	44.5	Very low	61.5	Low	72 Å²	72	57.6 Å²	57.6	47%	0.468	32%	0.316	S	S	.	.	S	Bend	trans	-81.7	110.5	174.9	29.2	-13.2	0	0	0	108.8	L73 V131	P71-L73 PolarHBondContact O-N 2.98Å; P71-V131 HydrophobicContact CB-CG1 4.14Å; P71-V131 HydrophobicContact CG-CG1 3.51Å
72	S	52.3	Low	62.5	Low	88 Å²	88	57.2 Å²	57.2	62%	0.615	31%	0.307	S	S	*	.	S	Bend	trans	87.1	-42.9	152.5	7.3	0	0	0	0	121.2	F70	F70-S72 PolarHBondContact O-N 3.29Å
73	L	55.8	Low	64.3	Low	85 Å²	85	56.6 Å²	56.6	45%	0.445	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	108.8	170.2	-172.9	63.5	0	0	0	107.6	P71 W75 W94	P71-L73 PolarHBondContact O-N 2.98Å; L73-W75 HydrophobicContact CB-CZ3 4.39Å; L73-W75 HydrophobicContact CD2-CE3 4.12Å; L73-W75 HydrophobicContact CD2-CZ3 3.57Å; L73-W75 HydrophobicContact CG-CE3 3.82Å; L73-W75 HydrophobicContact CG-CZ3 3.66Å; L73-W94 HydrophobicContact CD1-CD2 4.21Å; L73-W94 HydrophobicContact CD1-CG 4.42Å
74	Y	65.1	Low	66.4	Low	22 Å²	22	55.3 Å²	55.3	9%	0.086	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136	172.7	178.1	-101.2	0	0	0	108.7	I92 V93 V140	Y74-I92 CarbonylContact O-C 3.6Å; Y74-I92 WeakPolarHBondContact O-CA 3.39Å; Y74-V93 HydrophobicContact CD1-CG2 4.41Å; Y74-V93 PolarHBondContact N-O 3.17Å; Y74-V93 PolarHBondContact O-N 2.95Å; Y74-V140 HydrophobicContact CE2-CG2 4.07Å
75	W	70	Confident	68.4	Low	63 Å²	63	54.3 Å²	54.3	24%	0.239	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.1	162.5	60.1	92.5	0	0	0	109	I7 F8 L73 Q91 I92 Y147	I7-W75 HydrophobicContact CD1-CB 4.34Å; I7-W75 HydrophobicContact CG2-CB 4.09Å; I7-W75 VanDerWaalsContact CG2-CD1 3.45Å; I7-W75 HydrophobicContact CG2-CG 3.77Å; F8-W75 AromaticContact CE1-CD1 3.8Å; L73-W75 HydrophobicContact CB-CZ3 4.39Å; L73-W75 HydrophobicContact CD2-CE3 4.12Å; L73-W75 HydrophobicContact CD2-CZ3 3.57Å; L73-W75 HydrophobicContact CG-CE3 3.82Å; L73-W75 HydrophobicContact CG-CZ3 3.66Å; W75-Q91 CarbonylContact C-O 3.52Å; W75-Q91 WeakPolarHBondContact CA-O 3.4Å; W75-I92 HydrophobicContact CB-CG2 4.4Å; W75-Y147 HydrophobicContact CH2-CE1 4.24Å; W75-Y147 HydrophobicContact CZ2-CD1 4.33Å; W75-Y147 HydrophobicContact CZ2-CD2 4.13Å; W75-Y147 AromaticContact CZ2-CE1 3.9Å; W75-Y147 HydrophobicContact CZ2-CE1 3.9Å; W75-Y147 AromaticContact CZ2-CE2 3.7Å; W75-Y147 HydrophobicContact CZ2-CE2 3.7Å; W75-Y147 HydrophobicContact CZ2-CG 4.43Å; W75-Y147 AromaticContact CZ2-CZ 3.57Å
76	G	74.6	Confident	70.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	178.3	165.3	0	0	0	0	0	116.7	A78 E90 Q91	G76-A78 PolarHBondContact O-N 3.4Å; G76-E90 CarbonylContact O-C 3.54Å; G76-E90 VanDerWaalsContact O-CA 3.32Å; G76-E90 WeakPolarHBondContact O-CA 3.26Å; G76-Q91 PolarHBondContact N-O 3.37Å; G76-Q91 PolarHBondContact O-N 3.36Å
77	V	81.2	Confident	73.3	Confident	14 Å²	14	42.4 Å²	42.4	9%	0.085	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	117.4	173.3	178.7	0	0	0	0	107.1	F8 P22 I23 W88 V89 E90	F8-V77 HydrophobicContact CD2-CG2 4.35Å; F8-V77 HydrophobicContact CE2-CG2 3.88Å; P22-V77 HydrophobicContact CG-CG2 3.78Å; I23-V77 HydrophobicContact CD1-CB 3.6Å; I23-V77 HydrophobicContact CD1-CG1 3.3Å; I23-V77 HydrophobicContact CG1-CB 3.93Å; I23-V77 HydrophobicContact CG1-CG1 3.78Å; I23-V77 HydrophobicContact CG1-CG2 4.47Å; V77-W88 HydrophobicContact CG1-CB 3.98Å; V77-W88 HydrophobicContact CG1-CG 4.06Å; V77-W88 HydrophobicContact CG2-CG 4.42Å; V77-V89 CarbonylContact C-O 3.6Å; V77-V89 VanDerWaalsContact CA-O 3.3Å; V77-V89 WeakPolarHBondContact CA-O 3.11Å; V77-E90 HydrophobicContact CG2-CG 4.28Å
78	A	82	Confident	75.7	Confident	4 Å²	4	39.9 Å²	39.9	3%	0.033	21%	0.209	C	C	.	.			trans	-72.5	146.6	-175.6	0	0	0	0	0	110.3	G76 D80 N83 V89 Q91	G76-A78 PolarHBondContact O-N 3.4Å; A78-D80 HydrophobicContact CB-CB 4.39Å; A78-D80 PolarHBondContact O-N 3.35Å; A78-N83 PolarHBondContact O-ND2 2.8Å; A78-V89 HydrophobicContact CB-CB 4.07Å; A78-V89 HydrophobicContact CB-CG1 3.83Å; A78-V89 PolarHBondContact N-O 3.25Å; A78-Q91 HydrophobicContact CB-CB 4.02Å
79	I	80.3	Confident	77.9	Confident	92 Å²	92	38.3 Å²	38.3	47%	0.472	20%	0.202	S	C	.	.			trans	-72.8	98.4	164.6	-55.4	176.9	0	0	0	106.7	R137 Y139	I79-R137 WeakPolarHBondContact CD1-O 3.47Å; I79-Y139 HydrophobicContact CD1-CD2 3.27Å; I79-Y139 HydrophobicContact CD1-CE2 3.56Å; I79-Y139 HydrophobicContact CD1-CG 4.33Å; I79-Y139 HydrophobicContact CG1-CD2 3.55Å; I79-Y139 HydrophobicContact CG1-CE2 3.94Å
80	D	86.7	Confident	79.9	Confident	32 Å²	32	38.1 Å²	38.1	17%	0.171	20%	0.201	C	C	.	.			trans	-134.3	127.9	-173.5	-165.2	-65.9	0	0	0	109.1	A78 R82 N83 V89	A78-D80 HydrophobicContact CB-CB 4.39Å; A78-D80 PolarHBondContact O-N 3.35Å; D80-R82 PolarHBondContact O-N 3.28Å; D80-R82 VanDerWaalsContact O-N 3.14Å; D80-R82 WeakPolarHBondContact OD1-CA 3.44Å; D80-R82 WeakPolarHBondContact OD1-CB 3.35Å; D80-R82 WeakPolarHBondContact OD1-CG 2.92Å; D80-R82 IonicContact OD1-CZ 3.24Å; D80-R82 PolarHBondContact OD1-N 2.82Å; D80-R82 IonicContact OD1-NE 3.74Å; D80-R82 PolarHBondContact OD1-NE 2.84Å; D80-R82 IonicContact OD1-NH2 3.49Å; D80-R82 IonicContact OD2-CZ 2.79Å; D80-R82 IonicContact OD2-NE 2.66Å; D80-R82 PolarHBondContact OD2-NE 2.96Å; D80-R82 IonicContact OD2-NH2 3.68Å; D80-R82 PolarHBondContact OD2-NH2 2.88Å; D80-N83 VanDerWaalsContact O-CB 3.25Å; D80-N83 WeakPolarHBondContact O-CB 3.46Å; D80-N83 VanDerWaalsContact O-CG 3.27Å; D80-N83 PolarHBondContact O-N 3.46Å; D80-N83 PolarHBondContact O-ND2 2.82Å; D80-V89 HydrophobicContact CB-CB 4.08Å; D80-V89 HydrophobicContact CB-CG2 4Å
81	N	90.8	Very high	81.4	Confident	158 Å²	158	38.2 Å²	38.2	85%	0.845	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-11.9	-179.3	63.1	-11.9	0	0	0	113.2	N83	N81-N83 VanDerWaalsContact C-N 3.35Å
82	R	92.6	Very high	83.1	Confident	98 Å²	98	36.4 Å²	36.4	37%	0.37	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-9	174	-53	169.6	-69.7	-179.6	-2.8	112.6	L33 L34 D80	L33-R82 HydrophobicContact CB-CG 4.46Å; L34-R82 HydrophobicContact CD2-CB 3.9Å; L34-R82 HydrophobicContact CG-CB 4Å; D80-R82 PolarHBondContact O-N 3.28Å; D80-R82 VanDerWaalsContact O-N 3.14Å; D80-R82 WeakPolarHBondContact OD1-CA 3.44Å; D80-R82 WeakPolarHBondContact OD1-CB 3.35Å; D80-R82 WeakPolarHBondContact OD1-CG 2.92Å; D80-R82 IonicContact OD1-CZ 3.24Å; D80-R82 PolarHBondContact OD1-N 2.82Å; D80-R82 IonicContact OD1-NE 3.74Å; D80-R82 PolarHBondContact OD1-NE 2.84Å; D80-R82 IonicContact OD1-NH2 3.49Å; D80-R82 IonicContact OD2-CZ 2.79Å; D80-R82 IonicContact OD2-NE 2.66Å; D80-R82 PolarHBondContact OD2-NE 2.96Å; D80-R82 IonicContact OD2-NH2 3.68Å; D80-R82 PolarHBondContact OD2-NH2 2.88Å
83	N	93.8	Very high	84.2	Confident	18 Å²	18	32.3 Å²	32.3	10%	0.096	16%	0.158	C	C	.	.			trans	-63.4	143.8	178.1	-69.4	-15.2	0	0	0	110.8	T26 A78 D80 N81 A87 W88 V89	T26-N83 HydrophobicContact CG2-CB 4.44Å; A78-N83 PolarHBondContact O-ND2 2.8Å; D80-N83 VanDerWaalsContact O-CB 3.25Å; D80-N83 WeakPolarHBondContact O-CB 3.46Å; D80-N83 VanDerWaalsContact O-CG 3.27Å; D80-N83 PolarHBondContact O-N 3.46Å; D80-N83 PolarHBondContact O-ND2 2.82Å; N81-N83 VanDerWaalsContact C-N 3.35Å; N83-A87 WeakPolarHBondContact CA-O 3.42Å; N83-W88 WeakPolarHBondContact OD1-CA 3.38Å; N83-V89 PolarHBondContact OD1-N 2.76Å
84	T	96.5	Very high	85.3	Confident	6 Å²	6	34.7 Å²	34.7	4%	0.037	16%	0.162	C	C	.	.			trans	-133.2	178.3	177.6	56.2	0	0	0	0	108.8	N21 T26 L28 G30 N86 A87	N21-T84 WeakPolarHBondContact CB-O 3.14Å; N21-T84 PolarHBondContact ND2-O 3.45Å; T26-T84 VanDerWaalsContact OG1-CA 3.24Å; T26-T84 WeakPolarHBondContact OG1-CA 3.41Å; L28-T84 HydrophobicContact CB-CG2 4.34Å; L28-T84 CarbonylContact O-C 3.57Å; L28-T84 WeakPolarHBondContact O-CB 3Å; G30-T84 WeakPolarHBondContact O-CB 2.82Å; G30-T84 PolarHBondContact O-OG1 3.04Å; T84-N86 PolarHBondContact O-N 2.77Å; T84-N86 PolarHBondContact OG1-N 3.21Å; T84-A87 PolarHBondContact N-O 2.78Å; T84-A87 PolarHBondContact OG1-N 3.42Å; T84-A87 PolarHBondContact OG1-O 3.02Å
85	D	96	Very high	85.9	Confident	20 Å²	20	37.5 Å²	37.5	11%	0.107	17%	0.174	C	C	.	.	S	Bend	trans	-63.9	-21.4	173.2	-72.4	13.6	0	0	0	111.8	L20 N21 R25 T26 G27 L28	L20-D85 CarbonylContact C-O 3.45Å; L20-D85 WeakPolarHBondContact CA-O 3.39Å; N21-D85 PolarHBondContact N-O 2.87Å; R25-D85 WeakPolarHBondContact CA-OD1 3.33Å; R25-D85 IonicContact NE-OD2 3.76Å; T26-D85 WeakPolarHBondContact CA-OD1 3.17Å; T26-D85 PolarHBondContact N-OD1 3.11Å; T26-D85 PolarHBondContact OG1-N 3.39Å; T26-D85 PolarHBondContact OG1-OD1 2.9Å; G27-D85 PolarHBondContact N-OD1 3.33Å; L28-D85 WeakPolarHBondContact O-CB 3.01Å; L28-D85 PolarHBondContact O-N 3.28Å
86	N	96.4	Very high	86.6	Confident	16 Å²	16	38.1 Å²	38.1	9%	0.086	18%	0.182	C	C	.	.	S	Bend	trans	-125.2	0.1	-173.3	-45	117.6	0	0	0	115.2	V18 P19 G30 Y37 G38 T84	V18-N86 HydrophobicContact CG1-CB 3.63Å; V18-N86 WeakPolarHBondContact CG1-ND2 3.27Å; P19-N86 VanDerWaalsContact O-CA 3.26Å; P19-N86 WeakPolarHBondContact O-CA 3.4Å; P19-N86 WeakPolarHBondContact O-CB 3.45Å; P19-N86 PolarHBondContact O-ND2 3.28Å; G30-N86 PolarHBondContact N-OD1 2.91Å; G30-N86 WeakPolarHBondContact O-CB 3.32Å; Y37-N86 CarbonylContact C-O 3.58Å; Y37-N86 HydrophobicContact CD1-CB 3.78Å; Y37-N86 HydrophobicContact CE1-CB 4Å; G38-N86 PolarHBondContact N-O 3.14Å; T84-N86 PolarHBondContact O-N 2.77Å; T84-N86 PolarHBondContact OG1-N 3.21Å
87	A	96.1	Very high	87	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	134	173.2	0	0	0	0	0	110.4	R31 L34 R36 G38 N83 T84	R31-A87 HydrophobicContact CB-CB 4.22Å; R31-A87 HydrophobicContact CG-CB 4.27Å; L34-A87 HydrophobicContact CB-CB 4.07Å; L34-A87 HydrophobicContact CD1-CB 3.79Å; R36-A87 VanDerWaalsContact O-CB 3.26Å; R36-A87 WeakPolarHBondContact O-CB 3.19Å; G38-A87 WeakPolarHBondContact O-CA 3.27Å; N83-A87 WeakPolarHBondContact CA-O 3.42Å; T84-A87 PolarHBondContact N-O 2.78Å; T84-A87 PolarHBondContact OG1-N 3.42Å; T84-A87 PolarHBondContact OG1-O 3.02Å
88	W	93.8	Very high	87.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157.8	179.4	61.8	93	0	0	0	111.5	Y11 P19 L20 N21 P22 G38 P39 N40 V77 N83 E90	Y11-W88 AromaticContact CD1-CH2 3.96Å; Y11-W88 HydrophobicContact CD1-CH2 3.96Å; Y11-W88 AromaticContact CD1-CZ2 3.9Å; Y11-W88 HydrophobicContact CD1-CZ2 3.9Å; Y11-W88 AromaticContact CD2-CH2 3.98Å; Y11-W88 HydrophobicContact CD2-CH2 3.98Å; Y11-W88 AromaticContact CG-CH2 3.66Å; Y11-W88 HydrophobicContact CG-CH2 3.66Å; Y11-W88 AromaticContact CG-CZ2 3.99Å; Y11-W88 HydrophobicContact CG-CZ2 3.99Å; P19-W88 HydrophobicContact CB-CH2 4.12Å; P19-W88 HydrophobicContact CB-CZ3 3.95Å; L20-W88 WeakPolarHBondContact O-CH2 3.22Å; L20-W88 VanDerWaalsContact O-CZ3 3.29Å; L20-W88 WeakPolarHBondContact O-CZ3 3.11Å; N21-W88 HydrophobicContact CB-CE3 4.01Å; N21-W88 HydrophobicContact CB-CZ3 4.48Å; P22-W88 VanDerWaalsContact CD-CE2 3.47Å; P22-W88 HydrophobicContact CG-CD2 4.47Å; P22-W88 HydrophobicContact CG-CZ2 4.16Å; G38-W88 PolarHBondContact O-N 2.66Å; P39-W88 CarbonylContact C-O 3.59Å; P39-W88 HydrophobicContact CB-CZ2 4.27Å; N40-W88 WeakPolarHBondContact CB-O 3.42Å; N40-W88 PolarHBondContact N-O 3.09Å; N40-W88 PolarHBondContact ND2-O 3.36Å; V77-W88 HydrophobicContact CG1-CB 3.98Å; V77-W88 HydrophobicContact CG1-CG 4.06Å; V77-W88 HydrophobicContact CG2-CG 4.42Å; N83-W88 WeakPolarHBondContact OD1-CA 3.38Å; W88-E90 PolarHBondContact NE1-OE1 2.79Å
89	V	91.5	Very high	86.8	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.4	173.5	177.5	0	0	0	0	109.6	L34 N40 L42 V77 A78 D80 N83	L34-V89 HydrophobicContact CD1-CG2 4.23Å; L34-V89 HydrophobicContact CD2-CG2 3.7Å; N40-V89 CarbonylContact O-C 3.5Å; N40-V89 VanDerWaalsContact O-CA 3.27Å; N40-V89 WeakPolarHBondContact O-CA 3.49Å; L42-V89 HydrophobicContact CB-CG1 3.77Å; L42-V89 HydrophobicContact CD2-CG1 4.28Å; V77-V89 CarbonylContact C-O 3.6Å; V77-V89 VanDerWaalsContact CA-O 3.3Å; V77-V89 WeakPolarHBondContact CA-O 3.11Å; A78-V89 HydrophobicContact CB-CB 4.07Å; A78-V89 HydrophobicContact CB-CG1 3.83Å; A78-V89 PolarHBondContact N-O 3.25Å; D80-V89 HydrophobicContact CB-CB 4.08Å; D80-V89 HydrophobicContact CB-CG2 4Å; N83-V89 PolarHBondContact OD1-N 2.76Å
90	E	88.2	Confident	86.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	111.3	168.4	-64.1	-168.1	171.4	0	0	109.6	S6 I7 P39 N40 H41 L42 G76 V77 W88	S6-E90 WeakPolarHBondContact CA-OE2 3.37Å; S6-E90 WeakPolarHBondContact CB-OE1 3.36Å; S6-E90 PolarHBondContact OG-OE1 2.95Å; S6-E90 PolarHBondContact OG-OE2 3.46Å; I7-E90 HydrophobicContact CD1-CB 3.83Å; I7-E90 WeakPolarHBondContact CD1-OE2 3.3Å; I7-E90 WeakPolarHBondContact CG1-OE2 3.18Å; I7-E90 PolarHBondContact N-OE2 3.11Å; P39-E90 VanDerWaalsContact CB-CD 3.48Å; P39-E90 HydrophobicContact CB-CG 3.85Å; N40-E90 PolarHBondContact O-N 3.39Å; H41-E90 CarbonylContact C-O 3.53Å; H41-E90 VanDerWaalsContact CA-O 3.26Å; H41-E90 WeakPolarHBondContact CA-O 3.45Å; H41-E90 IonicContact CE1-OE2 2.86Å; H41-E90 PolarHBondContact CE1-OE2 2.74Å; H41-E90 VanDerWaalsContact CE1-OE2 3.24Å; H41-E90 IonicContact ND1-OE2 3.93Å; H41-E90 PolarHBondContact ND1-OE2 3.33Å; L42-E90 PolarHBondContact N-O 2.74Å; G76-E90 CarbonylContact O-C 3.54Å; G76-E90 VanDerWaalsContact O-CA 3.32Å; G76-E90 WeakPolarHBondContact O-CA 3.26Å; V77-E90 HydrophobicContact CG2-CG 4.28Å; W88-E90 PolarHBondContact NE1-OE1 2.79Å
91	Q	82.3	Confident	86.3	Confident	12 Å²	12	57.3 Å²	57.3	6%	0.056	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	139.7	179.4	-179.4	-179	-4.1	0	0	110.9	L42 I44 W75 G76 A78 V93	L42-Q91 CarbonylContact O-C 3.56Å; L42-Q91 VanDerWaalsContact O-CA 3.27Å; L42-Q91 WeakPolarHBondContact O-CA 3.21Å; I44-Q91 HydrophobicContact CD1-CG 3.99Å; I44-Q91 HydrophobicContact CG1-CG 4.19Å; W75-Q91 CarbonylContact C-O 3.52Å; W75-Q91 WeakPolarHBondContact CA-O 3.4Å; G76-Q91 PolarHBondContact N-O 3.37Å; G76-Q91 PolarHBondContact O-N 3.36Å; A78-Q91 HydrophobicContact CB-CB 4.02Å; Q91-V93 HydrophobicContact CG-CG2 3.93Å
92	I	78.9	Confident	85.6	Confident	33 Å²	33	52.9 Å²	52.9	17%	0.169	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	120.1	170.4	-40.2	-176.2	0	0	0	108.1	I7 L42 V43 I44 Y74 W75	I7-I92 HydrophobicContact CD1-CD1 3.44Å; I7-I92 VanDerWaalsContact CD1-CD1 3.44Å; I7-I92 HydrophobicContact CD1-CG1 3.37Å; I7-I92 HydrophobicContact CG1-CD1 4.02Å; I7-I92 HydrophobicContact CG1-CG1 4.44Å; L42-I92 PolarHBondContact O-N 2.61Å; V43-I92 CarbonylContact C-O 3.6Å; V43-I92 WeakPolarHBondContact CA-O 3.5Å; I44-I92 PolarHBondContact N-O 3.05Å; Y74-I92 CarbonylContact O-C 3.6Å; Y74-I92 WeakPolarHBondContact O-CA 3.39Å; W75-I92 HydrophobicContact CB-CG2 4.4Å
93	V	76.3	Confident	85	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.7	-179.6	-172.9	0	0	0	0	109.1	I44 I46 F70 Y74 Q91	I44-V93 HydrophobicContact CB-CG2 4.23Å; I44-V93 HydrophobicContact CG2-CG1 4.36Å; I44-V93 WeakPolarHBondContact O-CA 3.31Å; I46-V93 HydrophobicContact CD1-CG1 3.56Å; I46-V93 HydrophobicContact CG1-CG1 4.11Å; F70-V93 HydrophobicContact CB-CG1 4.42Å; F70-V93 HydrophobicContact CD2-CG2 4.08Å; Y74-V93 HydrophobicContact CD1-CG2 4.41Å; Y74-V93 PolarHBondContact N-O 3.17Å; Y74-V93 PolarHBondContact O-N 2.95Å; Q91-V93 HydrophobicContact CG-CG2 3.93Å
94	W	77.5	Confident	84.4	Confident	136 Å²	136	56.2 Å²	56.2	52%	0.515	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.6	175.5	-74.8	73.5	0	0	0	110.2	I44 L45 I46 L73	I44-W94 PolarHBondContact O-N 3.05Å; L45-W94 HydrophobicContact CD2-CB 3.86Å; I46-W94 PolarHBondContact N-O 2.53Å; L73-W94 HydrophobicContact CD1-CD2 4.21Å; L73-W94 HydrophobicContact CD1-CG 4.42Å
95	K	79.5	Confident	83.2	Confident	81 Å²	81	56.8 Å²	56.8	35%	0.352	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	116.4	171.1	-178.9	-176.4	172.6	-171.9	0	109.5	I46 S97	I46-K95 HydrophobicContact CB-CB 4.45Å; I46-K95 HydrophobicContact CG2-CG 4.41Å; I46-K95 WeakPolarHBondContact O-CA 3.27Å; K95-S97 VanDerWaalsContact CE-OG 3.22Å; K95-S97 WeakPolarHBondContact CE-OG 3.26Å
96	I	82.7	Confident	82.2	Confident	76 Å²	76	63 Å²	63	39%	0.39	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.3	173.3	-56.5	178.2	0	0	0	107	I46 L47 K48 L104	I46-I96 PolarHBondContact O-N 3.25Å; L47-I96 HydrophobicContact CD2-CB 3.93Å; L47-I96 HydrophobicContact CD2-CD1 3.92Å; L47-I96 HydrophobicContact CD2-CG1 4.28Å; K48-I96 PolarHBondContact N-O 3.04Å; I96-L104 HydrophobicContact CG2-CD1 4.14Å
97	S	84.2	Confident	81.4	Confident	66 Å²	66	66.2 Å²	66.2	46%	0.462	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	114.1	-179.4	-66	0	0	0	0	110.4	K48 K95	K48-S97 CarbonylContact O-C 3.31Å; K48-S97 VanDerWaalsContact O-CA 3.31Å; K48-S97 WeakPolarHBondContact O-CA 3.37Å; K95-S97 VanDerWaalsContact CE-OG 3.22Å; K95-S97 WeakPolarHBondContact CE-OG 3.26Å
98	D	84.2	Confident	80.4	Confident	11 Å²	11	71 Å²	71	6%	0.059	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	91.5	177.8	-172	13.6	0	0	0	110.8	K48 R49 I50 F101 P102 Y103 L104	K48-D98 PolarHBondContact O-N 3.49Å; R49-D98 HydrophobicContact CB-CB 4.5Å; I50-D98 PolarHBondContact N-O 3.26Å; D98-F101 PolarHBondContact OD1-N 3.39Å; D98-F101 VanDerWaalsContact OD2-CA 3.24Å; D98-F101 WeakPolarHBondContact OD2-CA 3.43Å; D98-P102 WeakPolarHBondContact OD1-CD 3.26Å; D98-Y103 PolarHBondContact OD2-N 2.74Å; D98-L104 HydrophobicContact CB-CB 3.73Å; D98-L104 HydrophobicContact CB-CD1 3.64Å; D98-L104 HydrophobicContact CB-CG 3.64Å; D98-L104 PolarHBondContact OD2-N 2.75Å
99	R	75.7	Confident	79.7	Confident	206 Å²	206	72.4 Å²	72.4	78%	0.777	34%	0.341	S	S	*	.	S	Bend	trans	-72.7	-35.2	-171.6	178.5	173.6	177.7	175.4	-0.7	113.3	I50	I50-R99 HydrophobicContact CD1-CG 4.31Å
100	K	77.4	Confident	78.7	Confident	190 Å²	190	75.9 Å²	75.9	83%	0.826	37%	0.366	S	S	*	.	S	Bend	trans	-101.3	3.4	-176.9	-70.2	-171	177.8	-175.4	0	112.7	P102	K100-P102 HydrophobicContact CB-CG 4.5Å; K100-P102 WeakPolarHBondContact O-CD 3.32Å
101	F	77.3	Confident	77.6	Confident	71 Å²	71	82.4 Å²	82.4	31%	0.311	40%	0.4	S	S	.	.	S	Bend	trans	68.3	8.1	-178.1	-138.4	-112.3	0	0	0	118	R49 I50 D98 Y103 G105	R49-F101 HydrophobicContact CB-CD2 4.08Å; R49-F101 HydrophobicContact CB-CE2 4.07Å; R49-F101 HydrophobicContact CG-CD2 4.21Å; R49-F101 HydrophobicContact CG-CE2 3.69Å; R49-F101 VanDerWaalsContact CZ-CZ 3.43Å; I50-F101 WeakPolarHBondContact O-CD2 3.32Å; D98-F101 PolarHBondContact OD1-N 3.39Å; D98-F101 VanDerWaalsContact OD2-CA 3.24Å; D98-F101 WeakPolarHBondContact OD2-CA 3.43Å; F101-Y103 VanDerWaalsContact C-N 3.28Å; F101-Y103 PolarHBondContact O-N 3.08Å; F101-G105 VanDerWaalsContact O-CA 3.3Å; F101-G105 WeakPolarHBondContact O-CA 3.16Å; F101-G105 PolarHBondContact O-N 2.87Å
102	P	77.1	Confident	76.7	Confident	65 Å²	65	85 Å²	85	42%	0.422	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.1	-176.1	26.1	-39.2	0	0	0	115.6	D98 K100	D98-P102 WeakPolarHBondContact OD1-CD 3.26Å; K100-P102 HydrophobicContact CB-CG 4.5Å; K100-P102 WeakPolarHBondContact O-CD 3.32Å
103	Y	79.1	Confident	76.1	Confident	179 Å²	179	91.9 Å²	91.9	70%	0.702	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-58.9	-170.5	-55.4	-65.3	0	0	0	112.7	D98 F101 G105 L106	D98-Y103 PolarHBondContact OD2-N 2.74Å; F101-Y103 VanDerWaalsContact C-N 3.28Å; F101-Y103 PolarHBondContact O-N 3.08Å; Y103-G105 PolarHBondContact O-N 2.93Å; Y103-L106 PolarHBondContact O-N 3.2Å
104	L	81.9	Confident	75.7	Confident	7 Å²	7	98.4 Å²	98.4	4%	0.037	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-11.6	176.3	-61.1	-179.1	0	0	0	111.9	L47 K48 R49 I96 D98 L106 M107 W119	L47-L104 HydrophobicContact CB-CD1 4.28Å; L47-L104 HydrophobicContact CD2-CD2 4.3Å; K48-L104 VanDerWaalsContact O-CD1 3.32Å; K48-L104 WeakPolarHBondContact O-CD1 3.47Å; R49-L104 HydrophobicContact CB-CB 4.14Å; R49-L104 HydrophobicContact CB-CD1 4.48Å; R49-L104 PolarHBondContact NH1-O 2.88Å; I96-L104 HydrophobicContact CG2-CD1 4.14Å; D98-L104 HydrophobicContact CB-CB 3.73Å; D98-L104 HydrophobicContact CB-CD1 3.64Å; D98-L104 HydrophobicContact CB-CG 3.64Å; D98-L104 PolarHBondContact OD2-N 2.75Å; L104-L106 VanDerWaalsContact C-N 3.34Å; L104-M107 HydrophobicContact CD2-CE 3.87Å; L104-M107 HydrophobicContact CD2-SD 3.56Å; L104-M107 VanDerWaalsContact CD2-SD 3.56Å; L104-M107 PolarHBondContact O-N 3.24Å; L104-W119 HydrophobicContact CB-CH2 4.1Å; L104-W119 HydrophobicContact CB-CZ2 4.3Å; L104-W119 HydrophobicContact CD1-CH2 4.28Å
105	G	71	Confident	75.1	Confident	19 Å²	19	97.3 Å²	97.3	20%	0.196	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-32	172.8	0	0	0	0	0	114.3	F101 Y103 M107	F101-G105 VanDerWaalsContact O-CA 3.3Å; F101-G105 WeakPolarHBondContact O-CA 3.16Å; F101-G105 PolarHBondContact O-N 2.87Å; Y103-G105 PolarHBondContact O-N 2.93Å; G105-M107 PolarHBondContact O-N 3.32Å
106	L	76	Confident	75	Confident	150 Å²	150	100.9 Å²	100.9	79%	0.785	50%	0.496	S	S	*	.	S	Bend	trans	-76.8	-13.1	176.8	-58.5	175.5	0	0	0	112.6	Y103 L104 D108	Y103-L106 PolarHBondContact O-N 3.2Å; L104-L106 VanDerWaalsContact C-N 3.34Å; L106-D108 PolarHBondContact O-N 3.49Å
107	M	78.1	Confident	74.9	Confident	84 Å²	84	100 Å²	100	41%	0.414	49%	0.491	S	S	.	.			trans	-80.9	98.3	175.7	-65	-176.5	-179.7	0	0	109.6	R49 L104 G105 F109 W119	R49-M107 PolarHBondContact NH1-O 2.88Å; L104-M107 HydrophobicContact CD2-CE 3.87Å; L104-M107 HydrophobicContact CD2-SD 3.56Å; L104-M107 VanDerWaalsContact CD2-SD 3.56Å; L104-M107 PolarHBondContact O-N 3.24Å; G105-M107 PolarHBondContact O-N 3.32Å; M107-F109 HydrophobicContact CB-CE1 4.25Å; M107-F109 HydrophobicContact CB-CZ 4.18Å; M107-F109 HydrophobicContact SD-CZ 4.39Å; M107-W119 HydrophobicContact CB-CZ2 4.34Å; M107-W119 PolarHBondContact O-NE1 2.82Å
108	D	76.7	Confident	74.9	Confident	100 Å²	100	101 Å²	101	54%	0.535	49%	0.487	S	S	.	.			trans	-91.7	127.2	165.3	-152.6	-16.6	0	0	0	110.8	L106 S110	L106-D108 PolarHBondContact O-N 3.49Å; D108-S110 WeakPolarHBondContact OD1-CB 3.47Å; D108-S110 PolarHBondContact OD1-N 3.25Å; D108-S110 PolarHBondContact OD1-OG 3.28Å; D108-S110 PolarHBondContact OD2-OG 3.01Å
109	F	77.8	Confident	75	Confident	30 Å²	30	102.3 Å²	102.3	13%	0.132	49%	0.491	C	S	.	.			trans	-104.4	2.5	177.1	-57.2	-49.4	0	0	0	111.8	A57 M107 I117 W119	A57-F109 HydrophobicContact CB-CE2 4Å; M107-F109 HydrophobicContact CB-CE1 4.25Å; M107-F109 HydrophobicContact CB-CZ 4.18Å; M107-F109 HydrophobicContact SD-CZ 4.39Å; F109-I117 WeakPolarHBondContact CB-O 3.45Å; F109-I117 HydrophobicContact CD2-CG2 3.87Å; F109-I117 HydrophobicContact CE2-CG2 3.8Å; F109-I117 HydrophobicContact CG-CG2 4.29Å; F109-I117 HydrophobicContact CZ-CG2 4.16Å; F109-W119 AromaticContact CD2-CD1 3.47Å; F109-W119 VanDerWaalsContact CD2-CD1 3.47Å; F109-W119 HydrophobicContact CD2-CD2 4.16Å; F109-W119 AromaticContact CD2-CE2 3.67Å; F109-W119 HydrophobicContact CD2-CG 4.07Å; F109-W119 HydrophobicContact CD2-CZ2 4.3Å; F109-W119 AromaticContact CD2-NE1 3.2Å; F109-W119 AromaticContact CE2-CD1 3.94Å; F109-W119 AromaticContact CE2-CD2 3.93Å; F109-W119 HydrophobicContact CE2-CD2 3.93Å; F109-W119 AromaticContact CE2-CE2 3.25Å; F109-W119 HydrophobicContact CE2-CG 4.33Å; F109-W119 HydrophobicContact CE2-CH2 4.23Å; F109-W119 AromaticContact CE2-CZ2 3.44Å; F109-W119 HydrophobicContact CE2-CZ2 3.44Å; F109-W119 VanDerWaalsContact CE2-CZ2 3.44Å; F109-W119 AromaticContact CE2-NE1 3.28Å; F109-W119 VanDerWaalsContact CE2-NE1 3.28Å; F109-W119 AromaticContact CZ-CZ2 3.97Å; F109-W119 HydrophobicContact CZ-CZ2 3.97Å
110	S	70.5	Confident	75.5	Confident	76 Å²	76	97.4 Å²	97.4	53%	0.531	48%	0.476	S	S	.	.	S	Bend	trans	-65.6	-40.3	179.4	58.5	0	0	0	0	112.8	D108	D108-S110 WeakPolarHBondContact OD1-CB 3.47Å; D108-S110 PolarHBondContact OD1-N 3.25Å; D108-S110 PolarHBondContact OD1-OG 3.28Å; D108-S110 PolarHBondContact OD2-OG 3.01Å
111	D	65.9	Low	76	Confident	136 Å²	136	91.6 Å²	91.6	73%	0.727	46%	0.458	S	S	*	.	S	Bend	trans	-95.2	-6.8	-162.1	-61.8	-8.8	0	0	0	113.9
112	N	63.3	Low	76.4	Confident	67 Å²	67	89.4 Å²	89.4	36%	0.358	45%	0.449	S	S	.	.			trans	-105	109.7	-179.7	-81.8	-59	0	0	0	111.1	K60 D114 F115	K60-N112 PolarHBondContact NZ-O 2.75Å; N112-D114 PolarHBondContact O-N 3.04Å; N112-F115 HydrophobicContact CB-CB 4.25Å; N112-F115 HydrophobicContact CB-CD2 3.6Å; N112-F115 HydrophobicContact CB-CE2 4.48Å; N112-F115 HydrophobicContact CB-CG 4.41Å
113	E	65.6	Low	76.7	Confident	177 Å²	177	91.2 Å²	91.2	83%	0.827	46%	0.455	S	S	*	.	S	Bend	trans	-58.7	-37.5	164.6	-68.6	-129	143.3	0	0	111	F115	E113-F115 VanDerWaalsContact C-N 3.31Å; E113-F115 PolarHBondContact O-N 3.47Å
114	D	67.9	Low	76.9	Confident	140 Å²	140	89.4 Å²	89.4	75%	0.749	45%	0.451	S	S	*	.	S	Bend	trans	-58.7	-39	-178.1	-66.8	-18.1	0	0	0	113.1	N112 K116	N112-D114 PolarHBondContact O-N 3.04Å; D114-K116 PolarHBondContact O-N 3.43Å
115	F	65.6	Low	77.1	Confident	113 Å²	113	92 Å²	92	50%	0.496	47%	0.473	S	S	.	.			trans	-89.2	103	176	-64.4	-68.6	0	0	0	108.9	K60 N112 E113 I117	K60-F115 WeakPolarHBondContact CE-O 3.35Å; K60-F115 PolarHBondContact NZ-O 2.69Å; N112-F115 HydrophobicContact CB-CB 4.25Å; N112-F115 HydrophobicContact CB-CD2 3.6Å; N112-F115 HydrophobicContact CB-CE2 4.48Å; N112-F115 HydrophobicContact CB-CG 4.41Å; E113-F115 VanDerWaalsContact C-N 3.31Å; E113-F115 PolarHBondContact O-N 3.47Å; F115-I117 PolarHBondContact O-N 2.84Å
116	K	77.5	Confident	77.7	Confident	156 Å²	156	94.2 Å²	94.2	68%	0.678	48%	0.484	S	S	*	.			trans	-70.4	41.6	169.1	-62.2	-177.1	-179.7	179.7	0	111.7	T59 K60 D114	T59-K116 CarbonylContact C-O 3.41Å; T59-K116 VanDerWaalsContact C-O 3.31Å; T59-K116 WeakPolarHBondContact CA-O 3.2Å; T59-K116 VanDerWaalsContact CB-O 3.27Å; T59-K116 WeakPolarHBondContact CB-O 3.2Å; K60-K116 PolarHBondContact N-O 2.9Å; D114-K116 PolarHBondContact O-N 3.43Å
117	I	80.5	Confident	77.9	Confident	56 Å²	56	87.7 Å²	87.7	29%	0.287	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148	-177.1	-58.1	175.9	0	0	0	109	A57 V58 F109 F115	A57-I117 HydrophobicContact CB-CG2 3.84Å; V58-I117 CarbonylContact O-C 3.54Å; V58-I117 VanDerWaalsContact O-CA 3.24Å; V58-I117 WeakPolarHBondContact O-CA 3.25Å; F109-I117 WeakPolarHBondContact CB-O 3.45Å; F109-I117 HydrophobicContact CD2-CG2 3.87Å; F109-I117 HydrophobicContact CE2-CG2 3.8Å; F109-I117 HydrophobicContact CG-CG2 4.29Å; F109-I117 HydrophobicContact CZ-CG2 4.16Å; F115-I117 PolarHBondContact O-N 2.84Å
118	K	84.4	Confident	78	Confident	89 Å²	89	91.3 Å²	91.3	39%	0.387	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157.3	173.3	67.4	-173	-179.8	-163.1	0	111.1	V58 K60	V58-K118 HydrophobicContact CG2-CG 3.85Å; V58-K118 PolarHBondContact N-O 2.79Å; V58-K118 PolarHBondContact O-N 3.03Å; K60-K118 PolarHBondContact O-NZ 2.85Å
119	W	86	Confident	78.2	Confident	37 Å²	37	95.5 Å²	95.5	14%	0.14	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	131.4	170.1	-67.2	105.9	0	0	0	110.6	L47 R49 Q55 A57 L104 M107 F109	L47-W119 HydrophobicContact CB-CH2 4.05Å; L47-W119 HydrophobicContact CB-CZ3 4.32Å; R49-W119 HydrophobicContact CB-CH2 4.39Å; R49-W119 HydrophobicContact CB-CZ3 4.31Å; R49-W119 HydrophobicContact CG-CD2 4.29Å; R49-W119 HydrophobicContact CG-CE3 3.82Å; R49-W119 HydrophobicContact CG-CH2 3.97Å; R49-W119 HydrophobicContact CG-CZ2 4.4Å; R49-W119 HydrophobicContact CG-CZ3 3.65Å; R49-W119 VanDerWaalsContact CZ-CD2 3.49Å; R49-W119 VanDerWaalsContact CZ-CG 3.47Å; R49-W119 VanDerWaalsContact NE-CE2 3.34Å; R49-W119 VanDerWaalsContact NH2-CG 3.31Å; Q55-W119 HydrophobicContact CB-CE3 4.03Å; A57-W119 HydrophobicContact CB-CE3 4.36Å; A57-W119 HydrophobicContact CB-CH2 4.33Å; A57-W119 HydrophobicContact CB-CZ3 4.07Å; L104-W119 HydrophobicContact CB-CH2 4.1Å; L104-W119 HydrophobicContact CB-CZ2 4.3Å; L104-W119 HydrophobicContact CD1-CH2 4.28Å; M107-W119 HydrophobicContact CB-CZ2 4.34Å; M107-W119 PolarHBondContact O-NE1 2.82Å; F109-W119 AromaticContact CD2-CD1 3.47Å; F109-W119 VanDerWaalsContact CD2-CD1 3.47Å; F109-W119 HydrophobicContact CD2-CD2 4.16Å; F109-W119 AromaticContact CD2-CE2 3.67Å; F109-W119 HydrophobicContact CD2-CG 4.07Å; F109-W119 HydrophobicContact CD2-CZ2 4.3Å; F109-W119 AromaticContact CD2-NE1 3.2Å; F109-W119 AromaticContact CE2-CD1 3.94Å; F109-W119 AromaticContact CE2-CD2 3.93Å; F109-W119 HydrophobicContact CE2-CD2 3.93Å; F109-W119 AromaticContact CE2-CE2 3.25Å; F109-W119 HydrophobicContact CE2-CG 4.33Å; F109-W119 HydrophobicContact CE2-CH2 4.23Å; F109-W119 AromaticContact CE2-CZ2 3.44Å; F109-W119 HydrophobicContact CE2-CZ2 3.44Å; F109-W119 VanDerWaalsContact CE2-CZ2 3.44Å; F109-W119 AromaticContact CE2-NE1 3.28Å; F109-W119 VanDerWaalsContact CE2-NE1 3.28Å; F109-W119 AromaticContact CZ-CZ2 3.97Å; F109-W119 HydrophobicContact CZ-CZ2 3.97Å
120	K	86.5	Confident	78	Confident	103 Å²	103	98 Å²	98	45%	0.448	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.4	177.5	-176.8	171.5	-178.8	172.4	0	110.9	Q55 Y56 V58 M122	Q55-K120 WeakPolarHBondContact CA-O 3.48Å; Y56-K120 PolarHBondContact N-O 2.81Å; Y56-K120 PolarHBondContact O-N 2.85Å; V58-K120 HydrophobicContact CG1-CB 4.26Å; V58-K120 HydrophobicContact CG2-CB 3.65Å; V58-K120 HydrophobicContact CG2-CD 4.08Å; K120-M122 HydrophobicContact CG-CG 4.49Å; K120-M122 PolarHBondContact O-N 3.2Å
121	C	87.3	Confident	78.1	Confident	68 Å²	68	95.3 Å²	95.3	46%	0.459	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	132.6	168	-67.8	0	0	0	0	109.7	C53 E54	C53-C121 HydrophobicContact CB-CB 3.87Å; C53-C121 WeakPolarHBondContact CB-SG 3.4Å; C53-C121 VanDerWaalsContact SG-CA 3.55Å; C53-C121 WeakPolarHBondContact SG-CB 3.33Å; C53-C121 CovalentContact SG-SG 2.02Å; C53-C121 PolarHBondContact SG-SG 2.76Å; E54-C121 CarbonylContact O-C 3.54Å; E54-C121 WeakPolarHBondContact O-CA 3.43Å
122	M	84.8	Confident	78.4	Confident	25 Å²	25	92.8 Å²	92.8	12%	0.123	45%	0.446	C	S	.	.			trans	-130.7	140.1	175.6	-63.6	-149.8	-70.6	0	0	111.9	E54 Y56 F64 K120 V127	E54-M122 PolarHBondContact O-N 2.99Å; Y56-M122 HydrophobicContact CD1-CE 3.75Å; Y56-M122 HydrophobicContact CD2-CB 3.92Å; Y56-M122 HydrophobicContact CD2-CE 3.31Å; Y56-M122 HydrophobicContact CD2-CG 4.05Å; Y56-M122 HydrophobicContact CE1-CE 4.24Å; Y56-M122 HydrophobicContact CE2-CB 4.21Å; Y56-M122 HydrophobicContact CE2-CE 3.88Å; Y56-M122 HydrophobicContact CG-CE 3.24Å; F64-M122 HydrophobicContact CE2-CE 4.29Å; K120-M122 HydrophobicContact CG-CG 4.49Å; K120-M122 PolarHBondContact O-N 3.2Å; M122-V127 HydrophobicContact CB-CG2 3.77Å; M122-V127 HydrophobicContact CE-CG2 3.69Å; M122-V127 HydrophobicContact SD-CG2 4.35Å
123	N	85.2	Confident	78.8	Confident	103 Å²	103	93 Å²	93	55%	0.551	45%	0.447	S	S	*	.			trans	-71.8	133.7	172.2	-177.9	-24.1	0	0	0	110	A125 T126 V127	N123-A125 PolarHBondContact O-N 2.9Å; N123-A125 WeakPolarHBondContact OD1-CB 3.18Å; N123-A125 PolarHBondContact OD1-N 2.82Å; N123-T126 WeakPolarHBondContact O-CB 3.16Å; N123-T126 PolarHBondContact O-N 2.52Å; N123-V127 WeakPolarHBondContact O-CG2 3.21Å; N123-V127 PolarHBondContact O-N 3.05Å
124	K	83.2	Confident	78.9	Confident	141 Å²	141	84.7 Å²	84.7	61%	0.613	41%	0.408	S	S	*	.	H	α-helix	trans	-48.8	-39.8	174.3	-70	-179.8	179.1	175.2	0	113	E54 V127 K128	E54-K124 VanDerWaalsContact CD-CE 3.44Å; E54-K124 WeakPolarHBondContact OE1-CE 3.3Å; E54-K124 IonicContact OE1-NZ 2.79Å; K124-V127 PolarHBondContact O-N 3.26Å; K124-K128 VanDerWaalsContact O-CB 3.3Å; K124-K128 WeakPolarHBondContact O-CB 3.48Å; K124-K128 PolarHBondContact O-N 3.31Å
125	A	86.1	Confident	78.8	Confident	61 Å²	61	83.8 Å²	83.8	50%	0.504	39%	0.394	S	S	.	.	H	α-helix	trans	-65.8	-44.2	178.2	0	0	0	0	0	112.1	N123 K128 R129	N123-A125 PolarHBondContact O-N 2.9Å; N123-A125 WeakPolarHBondContact OD1-CB 3.18Å; N123-A125 PolarHBondContact OD1-N 2.82Å; A125-K128 PolarHBondContact O-N 3.44Å; A125-R129 WeakPolarHBondContact O-CB 3.33Å; A125-R129 PolarHBondContact O-N 3.26Å
126	T	83.7	Confident	78.8	Confident	67 Å²	67	86 Å²	86	41%	0.411	40%	0.404	S	S	.	.	H	α-helix	trans	-62.3	-44.9	175.9	-50.4	0	0	0	0	110.9	N123 R129 K130	N123-T126 WeakPolarHBondContact O-CB 3.16Å; N123-T126 PolarHBondContact O-N 2.52Å; T126-R129 PolarHBondContact O-N 2.73Å; T126-K130 WeakPolarHBondContact O-CG 3.37Å; T126-K130 PolarHBondContact O-N 2.76Å
127	V	79.7	Confident	78.2	Confident	12 Å²	12	86 Å²	86	7%	0.073	40%	0.399	C	S	.	.	H	α-helix	trans	-59.2	-52.6	175.5	175.8	0	0	0	0	109.9	Y56 V69 M122 N123 K124 R129 K130 V131	Y56-V127 HydrophobicContact CE2-CG2 3.84Å; V69-V127 HydrophobicContact CG1-CG1 4.1Å; M122-V127 HydrophobicContact CB-CG2 3.77Å; M122-V127 HydrophobicContact CE-CG2 3.69Å; M122-V127 HydrophobicContact SD-CG2 4.35Å; N123-V127 WeakPolarHBondContact O-CG2 3.21Å; N123-V127 PolarHBondContact O-N 3.05Å; K124-V127 PolarHBondContact O-N 3.26Å; V127-R129 VanDerWaalsContact C-N 3.29Å; V127-R129 PolarHBondContact O-N 3.06Å; V127-K130 PolarHBondContact O-N 2.97Å; V127-K130 VanDerWaalsContact O-N 3.12Å; V127-V131 HydrophobicContact CG1-CG2 4.01Å; V127-V131 WeakPolarHBondContact O-CG2 3.45Å; V127-V131 PolarHBondContact O-N 2.86Å
128	K	79	Confident	77.1	Confident	161 Å²	161	84 Å²	84	70%	0.7	39%	0.389	S	S	*	.	H	α-helix	trans	-56.3	-41.5	179.2	-172.4	179.8	180	-176.4	0	112.3	K124 A125 V131 E132	K124-K128 VanDerWaalsContact O-CB 3.3Å; K124-K128 WeakPolarHBondContact O-CB 3.48Å; K124-K128 PolarHBondContact O-N 3.31Å; A125-K128 PolarHBondContact O-N 3.44Å; K128-V131 WeakPolarHBondContact O-CB 3.21Å; K128-V131 PolarHBondContact O-N 3.49Å; K128-E132 PolarHBondContact O-N 3.06Å
129	R	80.7	Confident	75.6	Confident	187 Å²	187	87 Å²	87	71%	0.706	40%	0.399	S	S	*	.	H	α-helix	trans	-64.2	-45.9	176.2	-177.3	179.7	176	-175.2	-0.6	112	A125 T126 V127 V131 E132 I133	A125-R129 WeakPolarHBondContact O-CB 3.33Å; A125-R129 PolarHBondContact O-N 3.26Å; T126-R129 PolarHBondContact O-N 2.73Å; V127-R129 VanDerWaalsContact C-N 3.29Å; V127-R129 PolarHBondContact O-N 3.06Å; R129-V131 VanDerWaalsContact C-N 3.29Å; R129-V131 PolarHBondContact O-N 3.27Å; R129-E132 PolarHBondContact O-N 2.68Å; R129-I133 HydrophobicContact CG-CD1 4.08Å; R129-I133 WeakPolarHBondContact O-CG1 3.45Å; R129-I133 PolarHBondContact O-N 2.85Å
130	K	75.4	Confident	74.1	Confident	84 Å²	84	85.7 Å²	85.7	37%	0.365	40%	0.396	S	S	.	.	H	α-helix	trans	-61.2	-40.7	176.5	-74.2	-172.1	173	-164.4	0	111.5	T126 V127 E132 I133 A134	T126-K130 WeakPolarHBondContact O-CG 3.37Å; T126-K130 PolarHBondContact O-N 2.76Å; V127-K130 PolarHBondContact O-N 2.97Å; V127-K130 VanDerWaalsContact O-N 3.12Å; K130-E132 VanDerWaalsContact C-N 3.33Å; K130-E132 PolarHBondContact O-N 3.25Å; K130-I133 PolarHBondContact O-N 2.97Å; K130-A134 WeakPolarHBondContact O-CB 3.46Å; K130-A134 PolarHBondContact O-N 3.24Å
131	V	72.3	Confident	72.5	Confident	19 Å²	19	85 Å²	85	12%	0.115	40%	0.4	C	S	.	.	H	α-helix	trans	-59.6	-43.5	174.6	178.5	0	0	0	0	112.1	V69 P71 V127 K128 R129 A134 R135	V69-V131 HydrophobicContact CB-CG2 4.23Å; V69-V131 HydrophobicContact CG1-CG2 4Å; V69-V131 WeakPolarHBondContact O-CA 3.12Å; V69-V131 WeakPolarHBondContact O-CB 3.47Å; V69-V131 WeakPolarHBondContact O-CG1 3.19Å; V69-V131 WeakPolarHBondContact O-CG2 3.24Å; P71-V131 HydrophobicContact CB-CG1 4.14Å; P71-V131 HydrophobicContact CG-CG1 3.51Å; V127-V131 HydrophobicContact CG1-CG2 4.01Å; V127-V131 WeakPolarHBondContact O-CG2 3.45Å; V127-V131 PolarHBondContact O-N 2.86Å; K128-V131 WeakPolarHBondContact O-CB 3.21Å; K128-V131 PolarHBondContact O-N 3.49Å; R129-V131 VanDerWaalsContact C-N 3.29Å; R129-V131 PolarHBondContact O-N 3.27Å; V131-A134 WeakPolarHBondContact O-CB 3.41Å; V131-R135 WeakPolarHBondContact O-CB 3.44Å; V131-R135 PolarHBondContact O-N 2.88Å
132	E	72	Confident	71	Confident	82 Å²	82	86.2 Å²	86.2	38%	0.383	41%	0.405	S	S	.	.	H	α-helix	trans	-69.3	-41.1	-179.4	-170.6	58.5	-152.3	0	0	112.1	K128 R129 K130 R135 K136	K128-E132 PolarHBondContact O-N 3.06Å; R129-E132 PolarHBondContact O-N 2.68Å; K130-E132 VanDerWaalsContact C-N 3.33Å; K130-E132 PolarHBondContact O-N 3.25Å; E132-R135 PolarHBondContact O-N 2.96Å; E132-K136 WeakPolarHBondContact O-CG 3.43Å; E132-K136 PolarHBondContact O-N 2.88Å; E132-K136 WeakPolarHBondContact OE1-CE 2.99Å
133	I	71.9	Confident	69.6	Low	72 Å²	72	86.2 Å²	86.2	37%	0.369	41%	0.409	S	S	.	.	H	α-helix	trans	-60.9	-48.5	175.9	-68.5	166.2	0	0	0	110.3	R129 K130 R135 K136 R137	R129-I133 HydrophobicContact CG-CD1 4.08Å; R129-I133 WeakPolarHBondContact O-CG1 3.45Å; R129-I133 PolarHBondContact O-N 2.85Å; K130-I133 PolarHBondContact O-N 2.97Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 2.96Å; I133-K136 PolarHBondContact O-N 2.95Å; I133-R137 WeakPolarHBondContact O-CG 3.03Å; I133-R137 PolarHBondContact O-N 2.84Å
134	A	66.8	Low	68.4	Low	2 Å²	2	85.3 Å²	85.3	2%	0.017	40%	0.402	C	S	.	.	H	α-helix	trans	-53.1	-47.9	174.1	0	0	0	0	0	112	E68 F70 K130 V131 K136 R137 N138	E68-A134 HydrophobicContact CB-CB 3.44Å; E68-A134 VanDerWaalsContact CB-CB 3.44Å; E68-A134 HydrophobicContact CG-CB 3.86Å; F70-A134 HydrophobicContact CD1-CB 4.09Å; F70-A134 HydrophobicContact CE1-CB 3.53Å; F70-A134 WeakPolarHBondContact CE1-O 3.36Å; F70-A134 HydrophobicContact CE2-CB 4.16Å; F70-A134 HydrophobicContact CZ-CB 3.53Å; F70-A134 WeakPolarHBondContact CZ-O 3.47Å; K130-A134 WeakPolarHBondContact O-CB 3.46Å; K130-A134 PolarHBondContact O-N 3.24Å; V131-A134 WeakPolarHBondContact O-CB 3.41Å; A134-K136 VanDerWaalsContact C-N 3.32Å; A134-K136 PolarHBondContact O-N 2.83Å; A134-R137 PolarHBondContact O-N 3.5Å; A134-N138 PolarHBondContact O-N 2.82Å
135	R	65.9	Low	67.6	Low	121 Å²	121	83 Å²	83	46%	0.457	39%	0.393	S	S	.	.	H	α-helix	trans	-63.2	-36.3	179.1	-166.7	-179	176.1	-171.1	-1.7	113.3	F70 V131 E132 I133 V140	F70-R135 HydrophobicContact CE1-CB 4.35Å; V131-R135 WeakPolarHBondContact O-CB 3.44Å; V131-R135 PolarHBondContact O-N 2.88Å; E132-R135 PolarHBondContact O-N 2.96Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 2.96Å; R135-V140 HydrophobicContact CG-CG1 4.39Å; R135-V140 WeakPolarHBondContact O-CG2 3.17Å
136	K	66.6	Low	66.5	Low	159 Å²	159	82.7 Å²	82.7	69%	0.691	39%	0.391	S	S	*	.	H	α-helix	trans	-75.5	-28.2	178.4	-71.7	179.9	179.6	-173.6	0	113.4	E132 I133 A134	E132-K136 WeakPolarHBondContact O-CG 3.43Å; E132-K136 PolarHBondContact O-N 2.88Å; E132-K136 WeakPolarHBondContact OE1-CE 2.99Å; I133-K136 PolarHBondContact O-N 2.95Å; A134-K136 VanDerWaalsContact C-N 3.32Å; A134-K136 PolarHBondContact O-N 2.83Å
137	R	63.4	Low	65.6	Low	156 Å²	156	83.9 Å²	83.9	59%	0.589	39%	0.388	S	S	*	.	H	α-helix	trans	-78.8	-39.9	-178.3	-78.2	-179	174.3	-174.7	-3.6	113	I79 I133 A134	I79-R137 WeakPolarHBondContact CD1-O 3.47Å; I133-R137 WeakPolarHBondContact O-CG 3.03Å; I133-R137 PolarHBondContact O-N 2.84Å; A134-R137 PolarHBondContact O-N 3.5Å
138	N	59.3	Low	64.9	Low	14 Å²	14	91.9 Å²	91.9	8%	0.075	42%	0.417	C	S	.	.	S	Bend	trans	-72.8	143	174.3	-80.7	-31	0	0	0	110.3	E68 F70 A134 V140	E68-N138 PolarHBondContact OE2-ND2 3.5Å; F70-N138 WeakPolarHBondContact CZ-ND2 3.02Å; A134-N138 PolarHBondContact O-N 2.82Å; N138-V140 HydrophobicContact CB-CG2 3.52Å; N138-V140 WeakPolarHBondContact O-CG2 3.47Å; N138-V140 PolarHBondContact O-N 3.47Å
139	Y	52	Low	64.6	Low	153 Å²	153	92.1 Å²	92.1	60%	0.6	41%	0.413	S	S	*	.			trans	-65.3	41.8	171.4	-74.7	-86	0	0	0	112.2	I79 T141 V142	I79-Y139 HydrophobicContact CD1-CD2 3.27Å; I79-Y139 HydrophobicContact CD1-CE2 3.56Å; I79-Y139 HydrophobicContact CD1-CG 4.33Å; I79-Y139 HydrophobicContact CG1-CD2 3.55Å; I79-Y139 HydrophobicContact CG1-CE2 3.94Å; Y139-T141 PolarHBondContact O-N 3.38Å; Y139-V142 PolarHBondContact O-N 3.05Å
140	V	53.3	Low	64.2	Low	10 Å²	10	89.1 Å²	89.1	6%	0.061	40%	0.402	C	S	.	.	H	α-helix	trans	-51.5	-27.3	-176.5	173	0	0	0	0	110.4	Y74 R135 N138 E144	Y74-V140 HydrophobicContact CE2-CG2 4.07Å; R135-V140 HydrophobicContact CG-CG1 4.39Å; R135-V140 WeakPolarHBondContact O-CG2 3.17Å; N138-V140 HydrophobicContact CB-CG2 3.52Å; N138-V140 WeakPolarHBondContact O-CG2 3.47Å; N138-V140 PolarHBondContact O-N 3.47Å; V140-E144 HydrophobicContact CG1-CB 4.48Å; V140-E144 HydrophobicContact CG1-CG 3.56Å; V140-E144 WeakPolarHBondContact CG1-OE1 3.26Å; V140-E144 WeakPolarHBondContact CG1-OE2 3.4Å; V140-E144 WeakPolarHBondContact O-CA 3.45Å; V140-E144 WeakPolarHBondContact O-CB 3.42Å; V140-E144 WeakPolarHBondContact O-CG 3.31Å; V140-E144 PolarHBondContact O-N 2.74Å
141	T	54.5	Low	64	Low	88 Å²	88	87.1 Å²	87.1	54%	0.54	40%	0.397	S	S	.	.	H	α-helix	trans	-61.5	-45.7	173.7	52.1	0	0	0	0	113.6	Y139 E145	Y139-T141 PolarHBondContact O-N 3.38Å; T141-E145 WeakPolarHBondContact O-CA 3.29Å; T141-E145 WeakPolarHBondContact O-CB 3.39Å; T141-E145 WeakPolarHBondContact O-CG 3.29Å; T141-E145 PolarHBondContact O-N 3.27Å
142	V	55.7	Low	64.2	Low	94 Å²	94	91.2 Å²	91.2	57%	0.57	42%	0.418	S	S	*	.	H	α-helix	trans	-76	-44.8	-173.1	-175.8	0	0	0	0	111.9	Y139 A146	Y139-V142 PolarHBondContact O-N 3.05Å; V142-A146 WeakPolarHBondContact O-CB 3.06Å; V142-A146 PolarHBondContact O-N 2.82Å
143	A	55.1	Low	64.5	Low	24 Å²	24	92 Å²	92	20%	0.198	42%	0.424	C	S	.	.	H	α-helix	trans	-74.6	-40.1	-179.9	0	0	0	0	0	112.4	F8 A146 Y147	F8-A143 HydrophobicContact CZ-CB 4.22Å; A143-A146 PolarHBondContact O-N 3.4Å; A143-Y147 VanDerWaalsContact O-CB 3.29Å; A143-Y147 WeakPolarHBondContact O-CB 3.49Å; A143-Y147 PolarHBondContact O-N 3.42Å
144	E	60.7	Low	64.7	Low	85 Å²	85	94.1 Å²	94.1	40%	0.397	43%	0.43	S	S	.	.	H	α-helix	trans	-68	-39	172.6	-68.4	-174.8	162.1	0	0	111.1	V140 Y147 R148	V140-E144 HydrophobicContact CG1-CB 4.48Å; V140-E144 HydrophobicContact CG1-CG 3.56Å; V140-E144 WeakPolarHBondContact CG1-OE1 3.26Å; V140-E144 WeakPolarHBondContact CG1-OE2 3.4Å; V140-E144 WeakPolarHBondContact O-CA 3.45Å; V140-E144 WeakPolarHBondContact O-CB 3.42Å; V140-E144 WeakPolarHBondContact O-CG 3.31Å; V140-E144 PolarHBondContact O-N 2.74Å; E144-Y147 PolarHBondContact O-N 3.31Å; E144-R148 WeakPolarHBondContact O-CA 3.46Å; E144-R148 WeakPolarHBondContact O-CB 3.14Å; E144-R148 PolarHBondContact O-N 3.46Å
145	E	65	Low	65.2	Low	91 Å²	91	97 Å²	97	43%	0.425	45%	0.446	S	S	.	.	H	α-helix	trans	-65.3	-43.6	174.7	-78.2	179.1	-154.8	0	0	111.6	T141 Y147 R148 R149	T141-E145 WeakPolarHBondContact O-CA 3.29Å; T141-E145 WeakPolarHBondContact O-CB 3.39Å; T141-E145 WeakPolarHBondContact O-CG 3.29Å; T141-E145 PolarHBondContact O-N 3.27Å; E145-Y147 PolarHBondContact O-N 3.18Å; E145-R148 PolarHBondContact O-N 3.06Å; E145-R149 VanDerWaalsContact O-CB 3.24Å; E145-R149 WeakPolarHBondContact O-CB 3.26Å; E145-R149 WeakPolarHBondContact O-CG 3.36Å; E145-R149 PolarHBondContact O-N 3.13Å; E145-R149 IonicContact OE2-CZ 3.88Å; E145-R149 IonicContact OE2-NH2 2.93Å; E145-R149 PolarHBondContact OE2-NH2 3.44Å
146	A	62.5	Low	65.9	Low	56 Å²	56	97.2 Å²	97.2	46%	0.463	45%	0.45	S	S	.	.	H	α-helix	trans	-61.5	-44.6	176.6	0	0	0	0	0	111.2	V142 A143 R149 W150	V142-A146 WeakPolarHBondContact O-CB 3.06Å; V142-A146 PolarHBondContact O-N 2.82Å; A143-A146 PolarHBondContact O-N 3.4Å; A146-R149 PolarHBondContact O-N 2.77Å; A146-W150 WeakPolarHBondContact O-CB 3.49Å; A146-W150 PolarHBondContact O-N 2.83Å
147	Y	65	Low	66.6	Low	91 Å²	91	94.3 Å²	94.3	36%	0.357	44%	0.441	S	S	.	.	H	α-helix	trans	-67.1	-43.9	176.2	-178.3	-107.7	0	0	0	112	W75 A143 E144 E145 R149 W150 V151	W75-Y147 HydrophobicContact CH2-CE1 4.24Å; W75-Y147 HydrophobicContact CZ2-CD1 4.33Å; W75-Y147 HydrophobicContact CZ2-CD2 4.13Å; W75-Y147 AromaticContact CZ2-CE1 3.9Å; W75-Y147 HydrophobicContact CZ2-CE1 3.9Å; W75-Y147 AromaticContact CZ2-CE2 3.7Å; W75-Y147 HydrophobicContact CZ2-CE2 3.7Å; W75-Y147 HydrophobicContact CZ2-CG 4.43Å; W75-Y147 AromaticContact CZ2-CZ 3.57Å; A143-Y147 VanDerWaalsContact O-CB 3.29Å; A143-Y147 WeakPolarHBondContact O-CB 3.49Å; A143-Y147 PolarHBondContact O-N 3.42Å; E144-Y147 PolarHBondContact O-N 3.31Å; E145-Y147 PolarHBondContact O-N 3.18Å; Y147-R149 VanDerWaalsContact C-N 3.33Å; Y147-R149 PolarHBondContact O-N 2.92Å; Y147-W150 AromaticContact CD2-CE3 3.94Å; Y147-W150 HydrophobicContact CD2-CE3 3.94Å; Y147-W150 HydrophobicContact CD2-CZ3 4.41Å; Y147-W150 AromaticContact CE2-CE3 3.62Å; Y147-W150 HydrophobicContact CE2-CE3 3.62Å; Y147-W150 AromaticContact CE2-CZ3 3.66Å; Y147-W150 HydrophobicContact CE2-CZ3 3.66Å; Y147-W150 CarbonylContact O-C 3.45Å; Y147-W150 WeakPolarHBondContact O-CB 3.48Å; Y147-W150 PolarHBondContact O-N 2.93Å; Y147-W150 VanDerWaalsContact O-N 3.13Å; Y147-V151 HydrophobicContact CD1-CG2 3.97Å; Y147-V151 HydrophobicContact CD2-CG2 4.25Å; Y147-V151 HydrophobicContact CE1-CG2 3.47Å; Y147-V151 VanDerWaalsContact CE1-CG2 3.47Å; Y147-V151 HydrophobicContact CE2-CG2 3.77Å; Y147-V151 HydrophobicContact CG-CG2 4.34Å; Y147-V151 WeakPolarHBondContact O-CG2 3.37Å; Y147-V151 PolarHBondContact O-N 2.77Å
148	R	66.3	Low	67.2	Low	181 Å²	181	93.1 Å²	93.1	68%	0.683	44%	0.437	S	S	*	.	H	α-helix	trans	-59.6	-45.3	175.4	-176.4	177.6	170.2	174.6	-2.7	110.2	E144 E145 W150 V151 L152	E144-R148 WeakPolarHBondContact O-CA 3.46Å; E144-R148 WeakPolarHBondContact O-CB 3.14Å; E144-R148 PolarHBondContact O-N 3.46Å; E145-R148 PolarHBondContact O-N 3.06Å; R148-W150 PolarHBondContact O-N 3.5Å; R148-V151 PolarHBondContact O-N 2.9Å; R148-L152 HydrophobicContact CG-CD1 4.03Å; R148-L152 VanDerWaalsContact O-CB 3.3Å; R148-L152 WeakPolarHBondContact O-CB 3.24Å; R148-L152 WeakPolarHBondContact O-CD1 3.37Å; R148-L152 WeakPolarHBondContact O-CG 3.44Å; R148-L152 PolarHBondContact O-N 3.49Å
149	R	71.4	Confident	68	Low	165 Å²	165	96.2 Å²	96.2	62%	0.623	45%	0.454	S	S	*	.	H	α-helix	trans	-60	-43.8	173.3	-73	173.8	-160.9	-168.5	9.3	111	E145 A146 Y147 L152 L153	E145-R149 VanDerWaalsContact O-CB 3.24Å; E145-R149 WeakPolarHBondContact O-CB 3.26Å; E145-R149 WeakPolarHBondContact O-CG 3.36Å; E145-R149 PolarHBondContact O-N 3.13Å; E145-R149 IonicContact OE2-CZ 3.88Å; E145-R149 IonicContact OE2-NH2 2.93Å; E145-R149 PolarHBondContact OE2-NH2 3.44Å; A146-R149 PolarHBondContact O-N 2.77Å; Y147-R149 VanDerWaalsContact C-N 3.33Å; Y147-R149 PolarHBondContact O-N 2.92Å; R149-L152 PolarHBondContact O-N 2.81Å; R149-L153 VanDerWaalsContact O-CB 3.24Å; R149-L153 WeakPolarHBondContact O-CB 3.24Å; R149-L153 PolarHBondContact O-N 2.89Å
150	W	73.1	Confident	69	Low	125 Å²	125	96.2 Å²	96.2	47%	0.473	45%	0.453	S	S	.	.	H	α-helix	trans	-64.3	-45.7	177	177.6	86.3	0	0	0	112.8	A146 Y147 R148 L152 L153 K154	A146-W150 WeakPolarHBondContact O-CB 3.49Å; A146-W150 PolarHBondContact O-N 2.83Å; Y147-W150 AromaticContact CD2-CE3 3.94Å; Y147-W150 HydrophobicContact CD2-CE3 3.94Å; Y147-W150 HydrophobicContact CD2-CZ3 4.41Å; Y147-W150 AromaticContact CE2-CE3 3.62Å; Y147-W150 HydrophobicContact CE2-CE3 3.62Å; Y147-W150 AromaticContact CE2-CZ3 3.66Å; Y147-W150 HydrophobicContact CE2-CZ3 3.66Å; Y147-W150 CarbonylContact O-C 3.45Å; Y147-W150 WeakPolarHBondContact O-CB 3.48Å; Y147-W150 PolarHBondContact O-N 2.93Å; Y147-W150 VanDerWaalsContact O-N 3.13Å; R148-W150 PolarHBondContact O-N 3.5Å; W150-L152 VanDerWaalsContact C-N 3.35Å; W150-L152 PolarHBondContact O-N 2.78Å; W150-L153 PolarHBondContact O-N 3.44Å; W150-K154 HydrophobicContact CH2-CD 3.61Å; W150-K154 HydrophobicContact CZ2-CD 3.77Å; W150-K154 HydrophobicContact CZ3-CD 4.06Å; W150-K154 VanDerWaalsContact O-CB 3.27Å; W150-K154 WeakPolarHBondContact O-CB 3.13Å; W150-K154 PolarHBondContact O-N 3.43Å
151	V	71.8	Confident	69.6	Low	42 Å²	42	98.8 Å²	98.8	26%	0.255	47%	0.471	S	S	.	.	H	α-helix	trans	-61	-45.8	175.9	171.2	0	0	0	0	110.1	Y147 R148 L153 K154 N155	Y147-V151 HydrophobicContact CD1-CG2 3.97Å; Y147-V151 HydrophobicContact CD2-CG2 4.25Å; Y147-V151 HydrophobicContact CE1-CG2 3.47Å; Y147-V151 VanDerWaalsContact CE1-CG2 3.47Å; Y147-V151 HydrophobicContact CE2-CG2 3.77Å; Y147-V151 HydrophobicContact CG-CG2 4.34Å; Y147-V151 WeakPolarHBondContact O-CG2 3.37Å; Y147-V151 PolarHBondContact O-N 2.77Å; R148-V151 PolarHBondContact O-N 2.9Å; V151-L153 PolarHBondContact O-N 3.26Å; V151-K154 PolarHBondContact O-N 2.9Å; V151-N155 WeakPolarHBondContact O-CB 3.3Å; V151-N155 VanDerWaalsContact O-CG 3.22Å; V151-N155 PolarHBondContact O-N 3.48Å; V151-N155 PolarHBondContact O-ND2 2.86Å
152	L	76.8	Confident	70.2	Confident	104 Å²	104	101.7 Å²	101.7	55%	0.545	47%	0.472	S	S	.	.	H	α-helix	trans	-61.2	-43.6	176	-70.9	171.1	0	0	0	111.4	R148 R149 W150 N155 K156	R148-L152 HydrophobicContact CG-CD1 4.03Å; R148-L152 VanDerWaalsContact O-CB 3.3Å; R148-L152 WeakPolarHBondContact O-CB 3.24Å; R148-L152 WeakPolarHBondContact O-CD1 3.37Å; R148-L152 WeakPolarHBondContact O-CG 3.44Å; R148-L152 PolarHBondContact O-N 3.49Å; R149-L152 PolarHBondContact O-N 2.81Å; W150-L152 VanDerWaalsContact C-N 3.35Å; W150-L152 PolarHBondContact O-N 2.78Å; L152-N155 PolarHBondContact O-N 2.9Å; L152-K156 VanDerWaalsContact O-CB 3.31Å; L152-K156 WeakPolarHBondContact O-CB 3.27Å; L152-K156 PolarHBondContact O-N 3.49Å
153	L	77.1	Confident	70.6	Confident	98 Å²	98	106.3 Å²	106.3	51%	0.513	48%	0.479	S	S	.	.	H	α-helix	trans	-63.8	-48	176.8	-171.3	77.3	0	0	0	111.5	R149 W150 V151 N155 K156 L157	R149-L153 VanDerWaalsContact O-CB 3.24Å; R149-L153 WeakPolarHBondContact O-CB 3.24Å; R149-L153 PolarHBondContact O-N 2.89Å; W150-L153 PolarHBondContact O-N 3.44Å; V151-L153 PolarHBondContact O-N 3.26Å; L153-N155 VanDerWaalsContact C-N 3.34Å; L153-N155 PolarHBondContact O-N 3.41Å; L153-K156 WeakPolarHBondContact O-CB 3.31Å; L153-K156 PolarHBondContact O-N 2.99Å; L153-K156 VanDerWaalsContact O-N 3.15Å; L153-L157 HydrophobicContact CG-CD1 4.31Å; L153-L157 WeakPolarHBondContact O-CG 3.33Å; L153-L157 PolarHBondContact O-N 3.15Å
154	K	76	Confident	70.8	Confident	117 Å²	117	111.7 Å²	111.7	51%	0.509	50%	0.5	S	S	.	.	H	α-helix	trans	-58.8	-44.8	177.3	-176.3	179	179.5	-179.2	0	111.3	W150 V151 L157 R158	W150-K154 HydrophobicContact CH2-CD 3.61Å; W150-K154 HydrophobicContact CZ2-CD 3.77Å; W150-K154 HydrophobicContact CZ3-CD 4.06Å; W150-K154 VanDerWaalsContact O-CB 3.27Å; W150-K154 WeakPolarHBondContact O-CB 3.13Å; W150-K154 PolarHBondContact O-N 3.43Å; V151-K154 PolarHBondContact O-N 2.9Å; K154-L157 PolarHBondContact O-N 3.43Å; K154-R158 WeakPolarHBondContact O-CB 3.44Å; K154-R158 PolarHBondContact O-N 2.98Å
155	N	77.3	Confident	70.7	Confident	64 Å²	64	112.5 Å²	112.5	34%	0.342	51%	0.511	S	S	.	.	H	α-helix	trans	-64.7	-40.7	175.7	-72.5	-21.5	0	0	0	111.6	V151 L152 L153 R158 N159	V151-N155 WeakPolarHBondContact O-CB 3.3Å; V151-N155 VanDerWaalsContact O-CG 3.22Å; V151-N155 PolarHBondContact O-N 3.48Å; V151-N155 PolarHBondContact O-ND2 2.86Å; L152-N155 PolarHBondContact O-N 2.9Å; L153-N155 VanDerWaalsContact C-N 3.34Å; L153-N155 PolarHBondContact O-N 3.41Å; N155-R158 PolarHBondContact O-N 3.39Å; N155-N159 WeakPolarHBondContact O-CB 3.43Å; N155-N159 PolarHBondContact O-N 3Å; N155-N159 PolarHBondContact O-ND2 3.19Å
156	K	81.5	Confident	70.3	Confident	125 Å²	125	113.2 Å²	113.2	54%	0.543	52%	0.521	S	S	.	.	H	α-helix	trans	-62.4	-43.8	175.7	-171.7	176.4	-178.6	176.8	0	112.2	L152 L153 N159 R160	L152-K156 VanDerWaalsContact O-CB 3.31Å; L152-K156 WeakPolarHBondContact O-CB 3.27Å; L152-K156 PolarHBondContact O-N 3.49Å; L153-K156 WeakPolarHBondContact O-CB 3.31Å; L153-K156 PolarHBondContact O-N 2.99Å; L153-K156 VanDerWaalsContact O-N 3.15Å; K156-N159 PolarHBondContact O-N 3.22Å; K156-R160 PolarHBondContact O-N 3.44Å
157	L	80.1	Confident	70	Confident	97 Å²	97	116 Å²	116	51%	0.508	53%	0.533	S	S	.	.	H	α-helix	trans	-64.9	-44.4	176.8	-69.9	173.4	0	0	0	111.8	L153 K154 N159 R160 S161	L153-L157 HydrophobicContact CG-CD1 4.31Å; L153-L157 WeakPolarHBondContact O-CG 3.33Å; L153-L157 PolarHBondContact O-N 3.15Å; K154-L157 PolarHBondContact O-N 3.43Å; L157-N159 VanDerWaalsContact C-N 3.29Å; L157-N159 PolarHBondContact O-N 3.03Å; L157-R160 PolarHBondContact O-N 3.44Å; L157-S161 PolarHBondContact O-N 3.47Å
158	R	76.7	Confident	69.4	Low	131 Å²	131	122 Å²	122	49%	0.494	56%	0.555	S	S	.	*	H	α-helix	trans	-61.3	-37.1	175.4	-168.2	-179.2	75.3	178.3	2.2	112.5	K154 N155 S161 R162	K154-R158 WeakPolarHBondContact O-CB 3.44Å; K154-R158 PolarHBondContact O-N 2.98Å; N155-R158 PolarHBondContact O-N 3.39Å; R158-S161 PolarHBondContact O-OG 3.09Å; R158-R162 WeakPolarHBondContact O-CG 3.44Å; R158-R162 PolarHBondContact O-N 3.38Å
159	N	75.4	Confident	68.9	Low	80 Å²	80	116.9 Å²	116.9	43%	0.428	55%	0.551	S	S	.	*	H	α-helix	trans	-72.7	-33.1	177.2	-70.6	-10.9	0	0	0	112.1	N155 K156 L157 R163	N155-N159 WeakPolarHBondContact O-CB 3.43Å; N155-N159 PolarHBondContact O-N 3Å; N155-N159 PolarHBondContact O-ND2 3.19Å; K156-N159 PolarHBondContact O-N 3.22Å; L157-N159 VanDerWaalsContact C-N 3.29Å; L157-N159 PolarHBondContact O-N 3.03Å; N159-R163 WeakPolarHBondContact O-CG 3.36Å; N159-R163 PolarHBondContact O-N 3.32Å; N159-R163 VanDerWaalsContact O-N 3.17Å
160	R	73.5	Confident	68.1	Low	153 Å²	153	114.1 Å²	114.1	58%	0.577	56%	0.555	S	S	*	*	H	α-helix	trans	-66	-44	172.6	-80.7	-176.4	172.7	-177.9	-3.7	112.3	K156 L157 R162 R163 Q164	K156-R160 PolarHBondContact O-N 3.44Å; L157-R160 PolarHBondContact O-N 3.44Å; R160-R162 VanDerWaalsContact C-N 3.33Å; R160-R162 PolarHBondContact O-N 3.03Å; R160-R163 PolarHBondContact O-N 3.09Å; R160-Q164 PolarHBondContact O-N 3.24Å; R160-Q164 VanDerWaalsContact O-N 3.09Å
161	S	66.7	Low	67.3	Low	63 Å²	63	118.9 Å²	118.9	44%	0.441	57%	0.573	S	S	.	*	H	α-helix	trans	-62.9	-40.8	178.3	72.1	0	0	0	0	111.7	L157 R158 R163 Q164 T165	L157-S161 PolarHBondContact O-N 3.47Å; R158-S161 PolarHBondContact O-OG 3.09Å; S161-R163 PolarHBondContact O-N 3.18Å; S161-Q164 PolarHBondContact O-N 3.46Å; S161-T165 PolarHBondContact O-N 3.17Å; S161-T165 VanDerWaalsContact O-N 3.11Å; S161-T165 PolarHBondContact O-OG1 3.46Å; S161-T165 VanDerWaalsContact O-OG1 3.09Å
162	R	67.5	Low	66.6	Low	149 Å²	149	124.1 Å²	124.1	56%	0.562	60%	0.599	S	S	*	*	H	α-helix	trans	-60.7	-41.2	174.4	-77.9	-178.1	174.2	-174.6	-4.3	113	R158 R160 T165 T166	R158-R162 WeakPolarHBondContact O-CG 3.44Å; R158-R162 PolarHBondContact O-N 3.38Å; R160-R162 VanDerWaalsContact C-N 3.33Å; R160-R162 PolarHBondContact O-N 3.03Å; R162-T165 WeakPolarHBondContact CA-OG1 3.48Å; R162-T165 PolarHBondContact O-N 3.43Å; R162-T165 PolarHBondContact O-OG1 2.79Å; R162-T166 PolarHBondContact O-N 3.45Å; R162-T166 PolarHBondContact O-OG1 3.11Å
163	R	62.9	Low	65.7	Low	191 Å²	191	129.7 Å²	129.7	72%	0.721	63%	0.629	S	S	*	*	H	α-helix	trans	-66.5	-37.9	177.7	-75.1	-179.2	-179.2	-171.3	-0.7	112.5	N159 R160 S161 T166 T167	N159-R163 WeakPolarHBondContact O-CG 3.36Å; N159-R163 PolarHBondContact O-N 3.32Å; N159-R163 VanDerWaalsContact O-N 3.17Å; R160-R163 PolarHBondContact O-N 3.09Å; S161-R163 PolarHBondContact O-N 3.18Å; R163-T166 WeakPolarHBondContact CA-OG1 3.45Å; R163-T166 PolarHBondContact O-N 3.2Å; R163-T166 PolarHBondContact O-OG1 2.88Å; R163-T167 PolarHBondContact O-N 3.07Å; R163-T167 PolarHBondContact O-OG1 3.03Å
164	Q	58.7	Low	65.1	Low	138 Å²	138	131.3 Å²	131.3	65%	0.645	64%	0.635	S	S	*	*	H	α-helix	trans	-69.3	-34.2	177.4	-75	179.6	-15.4	0	0	112.8	R160 S161 T167	R160-Q164 PolarHBondContact O-N 3.24Å; R160-Q164 VanDerWaalsContact O-N 3.09Å; S161-Q164 PolarHBondContact O-N 3.46Å; Q164-T167 WeakPolarHBondContact CA-OG1 3.49Å; Q164-T167 PolarHBondContact O-OG1 3.25Å; Q164-T167 VanDerWaalsContact O-OG1 3.07Å
165	T	58.6	Low	64.5	Low	101 Å²	101	132 Å²	132	62%	0.62	64%	0.642	S	S	*	*	H	α-helix	trans	-70.7	-32.7	174.4	42.2	0	0	0	0	113	S161 R162	S161-T165 PolarHBondContact O-N 3.17Å; S161-T165 VanDerWaalsContact O-N 3.11Å; S161-T165 PolarHBondContact O-OG1 3.46Å; S161-T165 VanDerWaalsContact O-OG1 3.09Å; R162-T165 WeakPolarHBondContact CA-OG1 3.48Å; R162-T165 PolarHBondContact O-N 3.43Å; R162-T165 PolarHBondContact O-OG1 2.79Å
166	T	57.6	Low	63.8	Low	106 Å²	106	135.8 Å²	135.8	65%	0.65	66%	0.659	S	S	*	*	H	α-helix	trans	-75.9	-27.6	177.5	47.9	0	0	0	0	113.5	R162 R163 R168	R162-T166 PolarHBondContact O-N 3.45Å; R162-T166 PolarHBondContact O-OG1 3.11Å; R163-T166 WeakPolarHBondContact CA-OG1 3.45Å; R163-T166 PolarHBondContact O-N 3.2Å; R163-T166 PolarHBondContact O-OG1 2.88Å; T166-R168 VanDerWaalsContact C-N 3.32Å
167	T	56.5	Low	62.8	Low	115 Å²	115	136.4 Å²	136.4	71%	0.706	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-8.5	176.7	42	0	0	0	0	114.4	R163 Q164	R163-T167 PolarHBondContact O-N 3.07Å; R163-T167 PolarHBondContact O-OG1 3.03Å; Q164-T167 WeakPolarHBondContact CA-OG1 3.49Å; Q164-T167 PolarHBondContact O-OG1 3.25Å; Q164-T167 VanDerWaalsContact O-OG1 3.07Å
168	R	52.1	Low	61.7	Low	217 Å²	217	138.9 Å²	138.9	82%	0.819	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	15.2	178.8	-85.5	-173.6	174.1	-175.2	-1.8	113.5	T166	T166-R168 VanDerWaalsContact C-N 3.32Å
169	A	54.8	Low	60.7	Low	73 Å²	73	139.4 Å²	139.4	60%	0.603	69%	0.687	S	S	*	*			trans	-57.5	127.9	170.6	0	0	0	0	0	109	R171	A169-R171 PolarHBondContact O-N 3.24Å
170	P	56.4	Low	59.6	Low	107 Å²	107	143.6 Å²	143.6	70%	0.695	71%	0.706	S	S	*	*			trans	-63.6	133.9	178.8	-7.2	20.6	0	0	0	108.7	N172	P170-N172 PolarHBondContact O-N 3.41Å
171	R	55.4	Low	58.6	Low	226 Å²	226	142.9 Å²	142.9	85%	0.853	72%	0.716	S	S	*	*			trans	-66.9	113.5	156.2	-75.8	-175.9	-171.7	178.9	1.5	105.6	A169 D173	A169-R171 PolarHBondContact O-N 3.24Å; R171-D173 PolarHBondContact O-N 3.37Å
172	N	57.6	Low	57.9	Low	152 Å²	152	149.6 Å²	149.6	81%	0.813	74%	0.739	S	S	*	*			trans	-79.8	103.3	164.4	-71.1	-13.1	0	0	0	106.1	P170	P170-N172 PolarHBondContact O-N 3.41Å
173	D	56.5	Low	57	Low	220 Å²	220	149.6 Å²	149.6	100%	1.176	76%	0.755	S	S	*	*			trans	-102.2	0	157.8	-69.6	-30.2	0	0	0	108	R171	R171-D173 PolarHBondContact O-N 3.37Å

Retrieved 173 of 173 residues in 116.7 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).