A0A077ZDA3_TRITR Loading...

Ubiquinone biosynthesis O-methyltransferase, mitochondrial

O-methyltransferase required for two non-consecutive steps during ubiquinone biosynthesis. Catalyzes the 2 O-methylation of 3,4-dihydroxy-5-(all-trans-polyprenyl)benzoic acid into 4-hydroxy-3-methoxy-5-(all-trans-polyprenyl)benzoic acid. Also catalyzes the last step of ubiquinone biosynthesis by mediating methylation of 3-demethylubiquinone into ubiquinone. Also able to mediate the methylation of 3-demethylubiquinol into ubiquinol.

AlphaFold DB , UniProt , Accession A0A077ZDA3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 262 aa.

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(Predicted Aligned Error values between residue pairs)

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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	32.3	Very low	30.5	Very low	250 Å²	250	164.2 Å²	164.2	100%	1.232	86%	0.861	S	S	*	*				0	96.8	0	-78.5	170.5	157.5	0	0	108.2
2	S	32.4	Very low	30.4	Very low	102 Å²	102	161.3 Å²	161.3	71%	0.713	85%	0.847	S	S	*	*			trans	-151.8	88.8	171.9	62.6	0	0	0	0	108.7
3	T	34.1	Very low	30.3	Very low	144 Å²	144	167.5 Å²	167.5	88%	0.883	85%	0.852	S	S	*	*			trans	-78.4	115	176.9	42.3	0	0	0	0	109.3	S5	T3-S5 PolarHBondContact O-N 3.25Å
4	W	27.6	Very low	30.3	Very low	244 Å²	244	167.4 Å²	167.4	92%	0.924	84%	0.843	S	S	*	*			trans	-70.2	108.6	170.3	-75	74.7	0	0	0	109	L6	W4-L6 PolarHBondContact O-N 3.05Å; W4-L6 VanDerWaalsContact O-N 3.13Å
5	S	29.6	Very low	30	Very low	110 Å²	110	172.8 Å²	172.8	77%	0.769	85%	0.849	S	S	*	*			trans	-73.5	97.6	176.3	172.3	0	0	0	0	109.8	T3 V7	T3-S5 PolarHBondContact O-N 3.25Å; S5-V7 PolarHBondContact O-N 3.13Å
6	L	33.3	Very low	30.1	Very low	160 Å²	160	168.4 Å²	168.4	84%	0.838	84%	0.835	S	S	*	*			trans	-61.4	111.1	166.1	-86.6	151.9	0	0	0	109.6	W4 R8	W4-L6 PolarHBondContact O-N 3.05Å; W4-L6 VanDerWaalsContact O-N 3.13Å; L6-R8 PolarHBondContact O-N 3.21Å
7	V	31.5	Very low	30	Very low	130 Å²	130	164.9 Å²	164.9	79%	0.788	83%	0.831	S	S	*	*			trans	-64.7	103.9	169.3	176.2	0	0	0	0	108	S5 F9	S5-V7 PolarHBondContact O-N 3.13Å; V7-F9 PolarHBondContact O-N 3.35Å
8	R	28.1	Very low	30.4	Very low	242 Å²	242	158.7 Å²	158.7	91%	0.913	81%	0.809	S	S	*	*			trans	-79.9	106	-179.2	-146.1	175.1	-171.4	-166.4	2.5	108.3	L6 C10	L6-R8 PolarHBondContact O-N 3.21Å; R8-C10 PolarHBondContact O-N 3.23Å
9	F	30.6	Very low	30.4	Very low	203 Å²	203	155.7 Å²	155.7	89%	0.89	80%	0.804	S	S	*	*			trans	-66.7	114	176.4	-137.9	-95.8	0	0	0	109.3	V7 S11	V7-F9 PolarHBondContact O-N 3.35Å; F9-S11 PolarHBondContact O-N 3Å
10	C	27.5	Very low	30.8	Very low	116 Å²	116	155.2 Å²	155.2	78%	0.784	80%	0.796	S	S	*	*			trans	-79.5	107.2	-178.3	-153	0	0	0	0	109	R8 N12	R8-C10 PolarHBondContact O-N 3.23Å; C10-N12 PolarHBondContact O-N 3.29Å
11	S	29	Very low	30.9	Very low	105 Å²	105	158.7 Å²	158.7	73%	0.734	80%	0.799	S	S	*	*			trans	-69.1	92	176.5	58.7	0	0	0	0	110.4	F9 R13	F9-S11 PolarHBondContact O-N 3Å; S11-R13 PolarHBondContact O-N 2.96Å
12	N	29.3	Very low	31	Very low	130 Å²	130	153.4 Å²	153.4	70%	0.695	78%	0.775	S	S	*	*			trans	-87.5	105.3	171.2	-121.4	0.5	0	0	0	109.2	C10 F14	C10-N12 PolarHBondContact O-N 3.29Å; N12-F14 VanDerWaalsContact C-N 3.31Å; N12-F14 HydrophobicContact CB-CD2 4.18Å; N12-F14 HydrophobicContact CB-CE2 4.32Å; N12-F14 PolarHBondContact O-N 3.44Å
13	R	29	Very low	31	Very low	241 Å²	241	156.7 Å²	156.7	91%	0.909	78%	0.777	S	S	*	*			trans	-71.6	82.1	174.7	-69	-175	-177.3	-136.5	2	109.5	S11 R15	S11-R13 PolarHBondContact O-N 2.96Å; R13-R15 PolarHBondContact O-N 3.47Å
14	F	30.6	Very low	30.9	Very low	167 Å²	167	154.4 Å²	154.4	73%	0.732	77%	0.766	S	S	*	*			trans	-85.9	107.9	164.6	-86.3	-83.2	0	0	0	109.6	N12 V16	N12-F14 VanDerWaalsContact C-N 3.31Å; N12-F14 HydrophobicContact CB-CD2 4.18Å; N12-F14 HydrophobicContact CB-CE2 4.32Å; N12-F14 PolarHBondContact O-N 3.44Å; F14-V16 VanDerWaalsContact C-N 3.31Å; F14-V16 HydrophobicContact CB-CG2 4.42Å; F14-V16 PolarHBondContact O-N 3.07Å
15	R	24.9	Very low	30.9	Very low	248 Å²	248	151.8 Å²	151.8	94%	0.936	77%	0.767	S	S	*	*			trans	-77	81.8	173.3	-169.4	178.4	169.7	-160.7	-4	107.7	R13 S17	R13-R15 PolarHBondContact O-N 3.47Å; R15-S17 PolarHBondContact O-N 3.33Å
16	V	32.4	Very low	31	Very low	102 Å²	102	150.9 Å²	150.9	62%	0.618	77%	0.766	S	S	*	*			trans	-80.7	107.1	173.5	-176.2	0	0	0	0	108	F14 A18	F14-V16 VanDerWaalsContact C-N 3.31Å; F14-V16 HydrophobicContact CB-CG2 4.42Å; F14-V16 PolarHBondContact O-N 3.07Å; V16-A18 HydrophobicContact CG1-CB 4.43Å; V16-A18 PolarHBondContact O-N 2.91Å
17	S	28	Very low	31.1	Very low	109 Å²	109	152.9 Å²	152.9	76%	0.762	77%	0.771	S	S	*	*			trans	-72	74.6	166.7	173.2	0	0	0	0	108.6	R15 S19	R15-S17 PolarHBondContact O-N 3.33Å; S17-S19 PolarHBondContact O-N 2.97Å
18	A	36.6	Very low	31.2	Very low	54 Å²	54	154.5 Å²	154.5	45%	0.446	78%	0.775	S	S	.	*			trans	-74.7	105.2	168.6	0	0	0	0	0	107.6	V16 F20	V16-A18 HydrophobicContact CG1-CB 4.43Å; V16-A18 PolarHBondContact O-N 2.91Å; A18-F20 PolarHBondContact O-N 3.24Å
19	S	31.1	Very low	31.4	Very low	101 Å²	101	148.2 Å²	148.2	71%	0.706	77%	0.769	S	S	*	*			trans	-54.1	105.2	171.5	-72.2	0	0	0	0	109.3	S17 R21	S17-S19 PolarHBondContact O-N 2.97Å; S19-R21 VanDerWaalsContact C-N 3.28Å; S19-R21 PolarHBondContact O-N 3.01Å
20	F	38	Very low	31.9	Very low	146 Å²	146	143 Å²	143	64%	0.64	76%	0.763	S	S	*	*			trans	-57.1	89.5	166.7	-106.4	-103.9	0	0	0	108.4	A18 L22	A18-F20 PolarHBondContact O-N 3.24Å; F20-L22 VanDerWaalsContact C-N 3.28Å; F20-L22 PolarHBondContact O-N 2.73Å
21	R	33	Very low	32.6	Very low	228 Å²	228	143.9 Å²	143.9	86%	0.86	76%	0.76	S	S	*	*			trans	-75.4	94.8	160.5	-73.1	-171.9	-168.6	-121.2	3.4	106	S19 F23	S19-R21 VanDerWaalsContact C-N 3.28Å; S19-R21 PolarHBondContact O-N 3.01Å; R21-F23 PolarHBondContact O-N 3.16Å; R21-F23 VanDerWaalsContact O-N 3.1Å
22	L	35	Very low	33.6	Very low	139 Å²	139	143.3 Å²	143.3	73%	0.728	76%	0.756	S	S	*	*			trans	-48	114.5	171.1	-115.5	91.8	0	0	0	108.7	F20 S24	F20-L22 VanDerWaalsContact C-N 3.28Å; F20-L22 PolarHBondContact O-N 2.73Å; L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 2.93Å
23	F	32.5	Very low	34.9	Very low	172 Å²	172	141.4 Å²	141.4	75%	0.754	75%	0.753	S	S	*	*			trans	-68.4	91.3	159.3	-88.6	-90.8	0	0	0	107.7	R21 V139	R21-F23 PolarHBondContact O-N 3.16Å; R21-F23 VanDerWaalsContact O-N 3.1Å; F23-V139 HydrophobicContact CE2-CG1 3.82Å; F23-V139 HydrophobicContact CE2-CG2 3.98Å; F23-V139 HydrophobicContact CZ-CG1 4.39Å; F23-V139 HydrophobicContact CZ-CG2 3.7Å
24	S	30.6	Very low	35.9	Very low	95 Å²	95	134.6 Å²	134.6	66%	0.664	74%	0.738	S	S	*	*			trans	-151.6	98.1	163.3	-174.1	0	0	0	0	108	L22	L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 2.93Å
25	M	29.1	Very low	37.1	Very low	190 Å²	190	135.5 Å²	135.5	94%	0.936	74%	0.737	S	S	*	*			trans	-132.4	133.9	161.1	-83.5	-168.7	173.6	0	0	108.8
26	A	31.2	Very low	39.1	Very low	91 Å²	91	127.9 Å²	127.9	75%	0.752	71%	0.714	S	S	*	*			trans	76	79.4	169.2	0	0	0	0	0	117.4
27	Q	34.2	Very low	41.2	Very low	202 Å²	202	127.5 Å²	127.5	94%	0.944	71%	0.708	S	S	*	*			trans	-119.1	94.3	136.5	-75.1	-162.7	-27.4	0	0	108.3
28	N	34	Very low	43.6	Very low	163 Å²	163	129 Å²	129	87%	0.872	70%	0.703	S	S	*	*			trans	-71.3	141.7	167.7	-91.5	-17.5	0	0	0	109.7
29	S	33.3	Very low	45.3	Very low	111 Å²	111	130.8 Å²	130.8	78%	0.776	70%	0.702	S	S	*	*			trans	-61.4	147.7	-175	44.2	0	0	0	0	116.5
30	A	39.9	Very low	47.3	Very low	93 Å²	93	131.1 Å²	131.1	77%	0.769	69%	0.694	S	S	*	*	S	Bend	trans	71.4	73.7	146.4	0	0	0	0	0	119.3
31	D	43.7	Very low	49.3	Very low	135 Å²	135	132 Å²	132	72%	0.722	69%	0.693	S	S	*	*			trans	-165.5	45.4	140.1	-156.6	15.9	0	0	0	111.6
32	S	49.1	Very low	51.4	Low	92 Å²	92	127.1 Å²	127.1	64%	0.643	68%	0.675	S	S	*	*			trans	-106.9	26	-149.1	70.7	0	0	0	0	117.8
33	S	57.5	Low	53.2	Low	91 Å²	91	121.8 Å²	121.8	64%	0.636	65%	0.646	S	S	*	*	S	Bend	trans	-91.7	-32.7	-179.4	63.4	0	0	0	0	114.2
34	T	50.2	Low	55.3	Low	97 Å²	97	115.9 Å²	115.9	60%	0.595	63%	0.629	S	S	*	*	H	α-helix	trans	-92.4	-38.4	-178.3	42.9	0	0	0	0	113.4	D36 L37 E38	T34-D36 PolarHBondContact O-N 2.67Å; T34-L37 PolarHBondContact O-N 3.17Å; T34-E38 PolarHBondContact O-N 3.24Å
35	R	53.8	Low	57.7	Low	187 Å²	187	117.5 Å²	117.5	71%	0.706	63%	0.626	S	S	*	*	H	α-helix	trans	-60.4	-35.7	176.6	-73.8	-177.6	174.4	162.3	0.9	112.4	E39	R35-E39 VanDerWaalsContact O-CB 3.28Å; R35-E39 WeakPolarHBondContact O-CB 3.39Å; R35-E39 PolarHBondContact O-N 3.21Å; R35-E39 VanDerWaalsContact O-N 3.17Å
36	D	68.2	Low	60	Low	87 Å²	87	110.6 Å²	110.6	47%	0.465	59%	0.592	S	S	.	*	H	α-helix	trans	-68	-40.1	-178.5	-165.2	28	0	0	0	112.1	T34 E39 M40	T34-D36 PolarHBondContact O-N 2.67Å; D36-E39 PolarHBondContact O-N 2.79Å; D36-M40 WeakPolarHBondContact O-CB 3.28Å; D36-M40 WeakPolarHBondContact O-CG 3.14Å; D36-M40 PolarHBondContact O-N 2.91Å
37	L	76.3	Confident	62.2	Low	94 Å²	94	107 Å²	107	49%	0.492	57%	0.565	S	S	.	*	H	α-helix	trans	-69.5	-40.6	-178.6	-71.5	175.3	0	0	0	113.3	T34 R41	T34-L37 PolarHBondContact O-N 3.17Å; L37-R41 WeakPolarHBondContact O-CB 3.44Å; L37-R41 WeakPolarHBondContact O-CG 3.4Å; L37-R41 PolarHBondContact O-N 3.32Å
38	E	78.1	Confident	64.5	Low	142 Å²	142	104 Å²	104	66%	0.664	55%	0.549	S	S	*	.	H	α-helix	trans	-68.2	-42.1	177.4	-73	-179.7	179.1	0	0	111.3	T34 R41 R42	T34-E38 PolarHBondContact O-N 3.24Å; E38-R41 PolarHBondContact O-N 3.36Å; E38-R42 WeakPolarHBondContact O-CB 3.13Å; E38-R42 PolarHBondContact O-N 3.18Å
39	E	72	Confident	66.9	Low	90 Å²	90	98.7 Å²	98.7	42%	0.421	52%	0.522	S	S	.	.	H	α-helix	trans	-64.3	-47.3	176	-177.9	171.1	177.9	0	0	111.5	R35 D36 R41 R42 F43	R35-E39 VanDerWaalsContact O-CB 3.28Å; R35-E39 WeakPolarHBondContact O-CB 3.39Å; R35-E39 PolarHBondContact O-N 3.21Å; R35-E39 VanDerWaalsContact O-N 3.17Å; D36-E39 PolarHBondContact O-N 2.79Å; E39-R41 VanDerWaalsContact C-N 3.31Å; E39-R41 PolarHBondContact O-N 2.83Å; E39-R42 WeakPolarHBondContact O-CB 3.44Å; E39-R42 PolarHBondContact O-N 3.19Å; E39-R42 VanDerWaalsContact O-N 3.17Å; E39-F43 HydrophobicContact CG-CD2 3.87Å; E39-F43 HydrophobicContact CG-CE2 3.18Å; E39-F43 HydrophobicContact CG-CZ 3.54Å; E39-F43 WeakPolarHBondContact O-CD2 3.37Å; E39-F43 WeakPolarHBondContact O-CG 3.44Å; E39-F43 PolarHBondContact O-N 3.15Å; E39-F43 WeakPolarHBondContact OE1-CE2 3.47Å; E39-F43 WeakPolarHBondContact OE1-CZ 3.36Å
40	M	73.9	Confident	69.5	Low	109 Å²	109	94.9 Å²	94.9	54%	0.537	49%	0.491	S	S	.	.	H	α-helix	trans	-59.4	-40.1	173.8	-73.5	177.9	79.4	0	0	112.4	D36 A44	D36-M40 WeakPolarHBondContact O-CB 3.28Å; D36-M40 WeakPolarHBondContact O-CG 3.14Å; D36-M40 PolarHBondContact O-N 2.91Å; M40-A44 VanDerWaalsContact O-CB 3.25Å; M40-A44 WeakPolarHBondContact O-CB 3.34Å; M40-A44 PolarHBondContact O-N 3.11Å
41	R	79.8	Confident	72	Confident	164 Å²	164	91.8 Å²	91.8	62%	0.619	46%	0.459	S	S	*	.	H	α-helix	trans	-64.4	-45.3	174.8	-78.1	171.5	-173.5	174.9	3.7	111.1	L37 E38 E39 F43 A44 E45	L37-R41 WeakPolarHBondContact O-CB 3.44Å; L37-R41 WeakPolarHBondContact O-CG 3.4Å; L37-R41 PolarHBondContact O-N 3.32Å; E38-R41 PolarHBondContact O-N 3.36Å; E39-R41 VanDerWaalsContact C-N 3.31Å; E39-R41 PolarHBondContact O-N 2.83Å; R41-F43 PolarHBondContact O-N 2.7Å; R41-A44 WeakPolarHBondContact O-CB 3.31Å; R41-A44 PolarHBondContact O-N 3.39Å; R41-E45 WeakPolarHBondContact O-CG 3.5Å; R41-E45 PolarHBondContact O-N 2.92Å
42	R	76.5	Confident	74.2	Confident	126 Å²	126	90 Å²	90	48%	0.475	45%	0.446	S	S	.	.	H	α-helix	trans	-59.7	-46.2	177.5	-172.2	-175.6	-179.3	175.6	6.9	111.2	E38 E39 E45 L46 E107	E38-R42 WeakPolarHBondContact O-CB 3.13Å; E38-R42 PolarHBondContact O-N 3.18Å; E39-R42 WeakPolarHBondContact O-CB 3.44Å; E39-R42 PolarHBondContact O-N 3.19Å; E39-R42 VanDerWaalsContact O-N 3.17Å; R42-E45 PolarHBondContact O-N 3.03Å; R42-L46 HydrophobicContact CG-CD1 3.92Å; R42-L46 WeakPolarHBondContact O-CB 3.44Å; R42-L46 WeakPolarHBondContact O-CG 3.28Å; R42-L46 PolarHBondContact O-N 2.91Å; R42-E107 VanDerWaalsContact CZ-CD 3.49Å; R42-E107 IonicContact CZ-OE1 3.78Å; R42-E107 VanDerWaalsContact CZ-OE1 3.29Å; R42-E107 IonicContact CZ-OE2 2.56Å; R42-E107 IonicContact NE-OE2 3.2Å; R42-E107 PolarHBondContact NE-OE2 2.88Å; R42-E107 IonicContact NH1-OE1 2.7Å; R42-E107 IonicContact NH2-OE1 3.88Å; R42-E107 PolarHBondContact NH2-OE1 2.8Å; R42-E107 IonicContact NH2-OE2 3.79Å; R42-E107 PolarHBondContact NH2-OE2 2.62Å
43	F	73.9	Confident	76	Confident	26 Å²	26	90.1 Å²	90.1	11%	0.114	45%	0.445	C	S	.	.	H	α-helix	trans	-69.3	-32.1	175.4	-62.1	-35.1	0	0	0	113.2	E39 R41 E45 G47 Q110	E39-F43 HydrophobicContact CG-CD2 3.87Å; E39-F43 HydrophobicContact CG-CE2 3.18Å; E39-F43 HydrophobicContact CG-CZ 3.54Å; E39-F43 WeakPolarHBondContact O-CD2 3.37Å; E39-F43 WeakPolarHBondContact O-CG 3.44Å; E39-F43 PolarHBondContact O-N 3.15Å; E39-F43 WeakPolarHBondContact OE1-CE2 3.47Å; E39-F43 WeakPolarHBondContact OE1-CZ 3.36Å; R41-F43 PolarHBondContact O-N 2.7Å; F43-E45 VanDerWaalsContact C-N 3.33Å; F43-G47 VanDerWaalsContact O-CA 3.24Å; F43-G47 WeakPolarHBondContact O-CA 3.44Å; F43-G47 PolarHBondContact O-N 3.3Å; F43-Q110 HydrophobicContact CD1-CB 4.08Å; F43-Q110 HydrophobicContact CE1-CB 3.7Å; F43-Q110 HydrophobicContact CE1-CG 4.2Å; F43-Q110 HydrophobicContact CE2-CB 4.38Å; F43-Q110 HydrophobicContact CZ-CB 3.89Å; F43-Q110 HydrophobicContact CZ-CG 4.01Å
44	A	76.4	Confident	77.4	Confident	49 Å²	49	89.6 Å²	89.6	41%	0.405	45%	0.446	S	S	.	.	H	α-helix	trans	-65.8	-37.3	171.7	0	0	0	0	0	111.5	M40 R41 K48	M40-A44 VanDerWaalsContact O-CB 3.25Å; M40-A44 WeakPolarHBondContact O-CB 3.34Å; M40-A44 PolarHBondContact O-N 3.11Å; R41-A44 WeakPolarHBondContact O-CB 3.31Å; R41-A44 PolarHBondContact O-N 3.39Å; A44-K48 WeakPolarHBondContact O-CB 3.38Å; A44-K48 WeakPolarHBondContact O-CD 3.48Å; A44-K48 WeakPolarHBondContact O-CG 3.47Å; A44-K48 PolarHBondContact O-N 3.08Å
45	E	81.7	Confident	79	Confident	129 Å²	129	85.5 Å²	85.5	60%	0.603	42%	0.424	S	S	*	.	H	α-helix	trans	-71.2	-48.7	176.1	-73.9	179.2	174.5	0	0	112.4	R41 R42 F43 G47 K48 T49	R41-E45 WeakPolarHBondContact O-CG 3.5Å; R41-E45 PolarHBondContact O-N 2.92Å; R42-E45 PolarHBondContact O-N 3.03Å; F43-E45 VanDerWaalsContact C-N 3.33Å; E45-G47 VanDerWaalsContact C-N 3.34Å; E45-K48 WeakPolarHBondContact O-CB 3.27Å; E45-K48 PolarHBondContact O-N 3.39Å; E45-T49 PolarHBondContact O-N 2.96Å; E45-T49 VanDerWaalsContact O-N 3.07Å
46	L	75.6	Confident	80.2	Confident	44 Å²	44	80.1 Å²	80.1	23%	0.23	41%	0.412	C	S	.	.	H	α-helix	trans	-66	-36.9	174.9	-69	166.6	0	0	0	112.2	R42 K48 T49 W50 E107 V111	R42-L46 HydrophobicContact CG-CD1 3.92Å; R42-L46 WeakPolarHBondContact O-CB 3.44Å; R42-L46 WeakPolarHBondContact O-CG 3.28Å; R42-L46 PolarHBondContact O-N 2.91Å; L46-K48 VanDerWaalsContact C-N 3.3Å; L46-K48 PolarHBondContact O-N 3.1Å; L46-T49 PolarHBondContact O-N 2.8Å; L46-T49 VanDerWaalsContact O-N 3.15Å; L46-T49 PolarHBondContact O-OG1 2.95Å; L46-W50 PolarHBondContact O-N 2.96Å; L46-E107 HydrophobicContact CD1-CB 3.99Å; L46-E107 HydrophobicContact CD1-CG 4.1Å; L46-E107 WeakPolarHBondContact CD1-OE2 3.29Å; L46-V111 HydrophobicContact CB-CG2 3.66Å
47	G	79	Confident	81	Confident	17 Å²	17	78.6 Å²	78.6	18%	0.175	40%	0.402	C	S	.	.	H	α-helix	trans	-63	-39.8	174.4	0	0	0	0	0	111.3	F43 E45 W51	F43-G47 VanDerWaalsContact O-CA 3.24Å; F43-G47 WeakPolarHBondContact O-CA 3.44Å; F43-G47 PolarHBondContact O-N 3.3Å; E45-G47 VanDerWaalsContact C-N 3.34Å; G47-W51 WeakPolarHBondContact O-CB 3.42Å; G47-W51 PolarHBondContact O-N 2.84Å
48	K	81.7	Confident	81.7	Confident	138 Å²	138	77.8 Å²	77.8	60%	0.6	39%	0.394	S	S	*	.	H	α-helix	trans	-61.2	-45	170.5	-76.4	165.8	-171.9	176.6	0	111	A44 E45 L46 W50 Q52	A44-K48 WeakPolarHBondContact O-CB 3.38Å; A44-K48 WeakPolarHBondContact O-CD 3.48Å; A44-K48 WeakPolarHBondContact O-CG 3.47Å; A44-K48 PolarHBondContact O-N 3.08Å; E45-K48 WeakPolarHBondContact O-CB 3.27Å; E45-K48 PolarHBondContact O-N 3.39Å; L46-K48 VanDerWaalsContact C-N 3.3Å; L46-K48 PolarHBondContact O-N 3.1Å; K48-W50 PolarHBondContact O-N 2.88Å; K48-Q52 WeakPolarHBondContact O-CA 3.35Å; K48-Q52 WeakPolarHBondContact O-CB 3.07Å; K48-Q52 PolarHBondContact O-N 3.33Å
49	T	84	Confident	82.2	Confident	51 Å²	51	72.5 Å²	72.5	31%	0.313	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-47.2	-177.9	61.1	0	0	0	0	112.1	E45 L46 F57	E45-T49 PolarHBondContact O-N 2.96Å; E45-T49 VanDerWaalsContact O-N 3.07Å; L46-T49 PolarHBondContact O-N 2.8Å; L46-T49 VanDerWaalsContact O-N 3.15Å; L46-T49 PolarHBondContact O-OG1 2.95Å; T49-F57 WeakPolarHBondContact O-CD2 3.48Å
50	W	88.6	Confident	83	Confident	31 Å²	31	70.4 Å²	70.4	12%	0.117	36%	0.362	C	S	.	.	H	α-helix	trans	-63.2	-47.5	177.2	-90	106.6	0	0	0	113.4	L46 K48 F57 L60 H61 L87 S108 V111	L46-W50 PolarHBondContact O-N 2.96Å; K48-W50 PolarHBondContact O-N 2.88Å; W50-F57 HydrophobicContact CB-CD2 4.43Å; W50-F57 HydrophobicContact CD2-CD1 4.39Å; W50-F57 AromaticContact CD2-CD2 3.93Å; W50-F57 HydrophobicContact CD2-CD2 3.93Å; W50-F57 HydrophobicContact CD2-CE1 4.21Å; W50-F57 AromaticContact CD2-CE2 3.72Å; W50-F57 HydrophobicContact CD2-CE2 3.72Å; W50-F57 HydrophobicContact CD2-CG 4.23Å; W50-F57 AromaticContact CD2-CZ 3.86Å; W50-F57 HydrophobicContact CD2-CZ 3.86Å; W50-F57 AromaticContact CE2-CE2 3.9Å; W50-F57 AromaticContact CE2-CZ 3.62Å; W50-F57 HydrophobicContact CE3-CB 4.34Å; W50-F57 AromaticContact CE3-CD1 3.91Å; W50-F57 HydrophobicContact CE3-CD1 3.91Å; W50-F57 AromaticContact CE3-CD2 3.97Å; W50-F57 HydrophobicContact CE3-CD2 3.97Å; W50-F57 HydrophobicContact CE3-CE1 4.1Å; W50-F57 HydrophobicContact CE3-CE2 4.15Å; W50-F57 AromaticContact CE3-CG 3.8Å; W50-F57 HydrophobicContact CE3-CG 3.8Å; W50-F57 HydrophobicContact CE3-CZ 4.21Å; W50-F57 HydrophobicContact CG-CD2 4.15Å; W50-F57 AromaticContact CG-CE2 3.9Å; W50-F57 HydrophobicContact CG-CE2 3.9Å; W50-F57 HydrophobicContact CG-CZ 4.43Å; W50-F57 HydrophobicContact CH2-CD1 4.01Å; W50-F57 AromaticContact CH2-CE1 3.67Å; W50-F57 HydrophobicContact CH2-CE1 3.67Å; W50-F57 HydrophobicContact CH2-CZ 4.11Å; W50-F57 HydrophobicContact CZ2-CD1 4.49Å; W50-F57 AromaticContact CZ2-CE1 3.79Å; W50-F57 HydrophobicContact CZ2-CE1 3.79Å; W50-F57 HydrophobicContact CZ2-CE2 4.47Å; W50-F57 AromaticContact CZ2-CZ 3.77Å; W50-F57 HydrophobicContact CZ2-CZ 3.77Å; W50-F57 AromaticContact CZ3-CD1 3.7Å; W50-F57 HydrophobicContact CZ3-CD1 3.7Å; W50-F57 AromaticContact CZ3-CE1 3.83Å; W50-F57 HydrophobicContact CZ3-CE1 3.83Å; W50-F57 HydrophobicContact CZ3-CG 4.07Å; W50-F57 HydrophobicContact CZ3-CZ 4.32Å; W50-L60 HydrophobicContact CZ3-CD1 4.13Å; W50-H61 PolarHBondContact O-NE2 3.47Å; W50-L87 HydrophobicContact CE3-CD1 3.92Å; W50-L87 HydrophobicContact CE3-CG 4.07Å; W50-L87 HydrophobicContact CZ3-CD1 4.07Å; W50-L87 HydrophobicContact CZ3-CG 4.38Å; W50-S108 WeakPolarHBondContact CZ2-OG 3.36Å; W50-S108 PolarHBondContact NE1-OG 3.37Å; W50-V111 HydrophobicContact CB-CG1 3.94Å; W50-V111 HydrophobicContact CG-CG1 4.23Å
51	W	93.1	Very high	83.8	Confident	28 Å²	28	67 Å²	67	11%	0.106	35%	0.345	C	S	.	.	H	α-helix	trans	-100	1	-169.8	-71.7	91	0	0	0	114.7	G47 P53 G85 L87 E90 H115	G47-W51 WeakPolarHBondContact O-CB 3.42Å; G47-W51 PolarHBondContact O-N 2.84Å; W51-P53 VanDerWaalsContact O-CD 3.3Å; W51-P53 WeakPolarHBondContact O-CD 3.48Å; W51-G85 VanDerWaalsContact CE2-O 3.31Å; W51-G85 VanDerWaalsContact CZ2-O 3.3Å; W51-G85 WeakPolarHBondContact CZ2-O 3.15Å; W51-G85 PolarHBondContact NE1-O 2.82Å; W51-L87 HydrophobicContact CD2-CD2 3.66Å; W51-L87 HydrophobicContact CE3-CD2 3.67Å; W51-L87 HydrophobicContact CG-CD2 4.33Å; W51-L87 HydrophobicContact CH2-CD2 3.93Å; W51-L87 HydrophobicContact CZ2-CD2 3.91Å; W51-L87 HydrophobicContact CZ3-CD2 3.8Å; W51-E90 HydrophobicContact CH2-CB 4.01Å; W51-E90 HydrophobicContact CH2-CG 4.5Å; W51-E90 HydrophobicContact CZ2-CB 4.48Å; W51-H115 AromaticContact CD1-CD2 3.66Å; W51-H115 AromaticContact CD1-CG 3.79Å; W51-H115 HydrophobicContact CD2-CB 4.43Å; W51-H115 AromaticContact CD2-CD2 3.37Å; W51-H115 AromaticContact CD2-CE1 3.56Å; W51-H115 AromaticContact CD2-CG 3.57Å; W51-H115 AromaticContact CD2-ND1 3.67Å; W51-H115 AromaticContact CD2-NE2 3.38Å; W51-H115 AromaticContact CE2-CD2 3.68Å; W51-H115 AromaticContact CE2-CE1 3.78Å; W51-H115 AromaticContact CE2-CG 3.34Å; W51-H115 AromaticContact CE2-ND1 3.41Å; W51-H115 AromaticContact CE2-NE2 3.96Å; W51-H115 AromaticContact CE3-CD2 3.91Å; W51-H115 AromaticContact CE3-CE1 3.36Å; W51-H115 AromaticContact CE3-ND1 3.87Å; W51-H115 AromaticContact CE3-NE2 3.37Å; W51-H115 HydrophobicContact CG-CB 4.48Å; W51-H115 AromaticContact CG-CD2 3.36Å; W51-H115 AromaticContact CG-CG 3.84Å; W51-H115 AromaticContact CG-NE2 3.74Å; W51-H115 AromaticContact CH2-CE1 3.67Å; W51-H115 AromaticContact CH2-ND1 3.61Å; W51-H115 HydrophobicContact CZ2-CB 4.29Å; W51-H115 AromaticContact CZ2-CE1 3.85Å; W51-H115 AromaticContact CZ2-CG 3.78Å; W51-H115 AromaticContact CZ2-ND1 3.38Å; W51-H115 WeakPolarHBondContact CZ2-ND1 3.21Å; W51-H115 AromaticContact CZ3-CE1 3.43Å; W51-H115 VanDerWaalsContact CZ3-CE1 3.43Å; W51-H115 WeakPolarHBondContact CZ3-CE1 3.41Å; W51-H115 AromaticContact CZ3-ND1 3.85Å; W51-H115 AromaticContact CZ3-NE2 3.95Å; W51-H115 AromaticContact NE1-CD2 3.83Å; W51-H115 AromaticContact NE1-CG 3.49Å
52	Q	89.6	Confident	84.5	Confident	98 Å²	98	60 Å²	60	46%	0.458	32%	0.321	S	S	.	.			trans	-74.3	118.8	171.8	-179.1	179.2	13.2	0	0	110.5	K48 A54 G55	K48-Q52 WeakPolarHBondContact O-CA 3.35Å; K48-Q52 WeakPolarHBondContact O-CB 3.07Å; K48-Q52 PolarHBondContact O-N 3.33Å; Q52-A54 PolarHBondContact O-N 2.92Å; Q52-A54 VanDerWaalsContact O-N 3.1Å; Q52-G55 PolarHBondContact O-N 3.42Å
53	P	86.7	Confident	85.3	Confident	95 Å²	95	54.1 Å²	54.1	62%	0.617	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.3	-177.5	-26	35.9	0	0	0	114.6	W51 K58	W51-P53 VanDerWaalsContact O-CD 3.3Å; W51-P53 WeakPolarHBondContact O-CD 3.48Å; P53-K58 WeakPolarHBondContact O-CB 3.04Å; P53-K58 VanDerWaalsContact O-CG 3.3Å; P53-K58 WeakPolarHBondContact O-CG 3.32Å
54	A	85.8	Confident	86.4	Confident	79 Å²	79	53.7 Å²	53.7	65%	0.653	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	8.8	176.5	0	0	0	0	0	113.4	Q52	Q52-A54 PolarHBondContact O-N 2.92Å; Q52-A54 VanDerWaalsContact O-N 3.1Å
55	G	84.9	Confident	87.3	Confident	12 Å²	12	54.1 Å²	54.1	12%	0.124	31%	0.307	C	S	.	.	S	Bend	trans	-82.1	-171.4	-179.2	0	0	0	0	0	113.2	Q52 F57 K58	Q52-G55 PolarHBondContact O-N 3.42Å; G55-F57 PolarHBondContact O-N 2.99Å; G55-F57 VanDerWaalsContact O-N 3.17Å; G55-K58 VanDerWaalsContact O-CB 3.25Å; G55-K58 WeakPolarHBondContact O-CB 3.47Å; G55-K58 PolarHBondContact O-N 3.37Å; G55-K58 VanDerWaalsContact O-N 3.07Å
56	P	79.3	Confident	88	Confident	73 Å²	73	48.5 Å²	48.5	47%	0.474	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.9	-176.7	23.5	-32.9	0	0	0	113.6
57	F	84.9	Confident	88.9	Confident	55 Å²	55	46.9 Å²	46.9	24%	0.241	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	15	178.8	-56.8	-80	0	0	0	113.8	T49 W50 G55 L59 L60 H61 L87	T49-F57 WeakPolarHBondContact O-CD2 3.48Å; W50-F57 HydrophobicContact CB-CD2 4.43Å; W50-F57 HydrophobicContact CD2-CD1 4.39Å; W50-F57 AromaticContact CD2-CD2 3.93Å; W50-F57 HydrophobicContact CD2-CD2 3.93Å; W50-F57 HydrophobicContact CD2-CE1 4.21Å; W50-F57 AromaticContact CD2-CE2 3.72Å; W50-F57 HydrophobicContact CD2-CE2 3.72Å; W50-F57 HydrophobicContact CD2-CG 4.23Å; W50-F57 AromaticContact CD2-CZ 3.86Å; W50-F57 HydrophobicContact CD2-CZ 3.86Å; W50-F57 AromaticContact CE2-CE2 3.9Å; W50-F57 AromaticContact CE2-CZ 3.62Å; W50-F57 HydrophobicContact CE3-CB 4.34Å; W50-F57 AromaticContact CE3-CD1 3.91Å; W50-F57 HydrophobicContact CE3-CD1 3.91Å; W50-F57 AromaticContact CE3-CD2 3.97Å; W50-F57 HydrophobicContact CE3-CD2 3.97Å; W50-F57 HydrophobicContact CE3-CE1 4.1Å; W50-F57 HydrophobicContact CE3-CE2 4.15Å; W50-F57 AromaticContact CE3-CG 3.8Å; W50-F57 HydrophobicContact CE3-CG 3.8Å; W50-F57 HydrophobicContact CE3-CZ 4.21Å; W50-F57 HydrophobicContact CG-CD2 4.15Å; W50-F57 AromaticContact CG-CE2 3.9Å; W50-F57 HydrophobicContact CG-CE2 3.9Å; W50-F57 HydrophobicContact CG-CZ 4.43Å; W50-F57 HydrophobicContact CH2-CD1 4.01Å; W50-F57 AromaticContact CH2-CE1 3.67Å; W50-F57 HydrophobicContact CH2-CE1 3.67Å; W50-F57 HydrophobicContact CH2-CZ 4.11Å; W50-F57 HydrophobicContact CZ2-CD1 4.49Å; W50-F57 AromaticContact CZ2-CE1 3.79Å; W50-F57 HydrophobicContact CZ2-CE1 3.79Å; W50-F57 HydrophobicContact CZ2-CE2 4.47Å; W50-F57 AromaticContact CZ2-CZ 3.77Å; W50-F57 HydrophobicContact CZ2-CZ 3.77Å; W50-F57 AromaticContact CZ3-CD1 3.7Å; W50-F57 HydrophobicContact CZ3-CD1 3.7Å; W50-F57 AromaticContact CZ3-CE1 3.83Å; W50-F57 HydrophobicContact CZ3-CE1 3.83Å; W50-F57 HydrophobicContact CZ3-CG 4.07Å; W50-F57 HydrophobicContact CZ3-CZ 4.32Å; G55-F57 PolarHBondContact O-N 2.99Å; G55-F57 VanDerWaalsContact O-N 3.17Å; F57-L59 PolarHBondContact O-N 3.34Å; F57-L59 VanDerWaalsContact O-N 3.13Å; F57-L60 HydrophobicContact CD1-CD1 3.83Å; F57-L60 PolarHBondContact O-N 3.09Å; F57-H61 PolarHBondContact O-CD2 2.96Å; F57-H61 PolarHBondContact O-N 2.86Å; F57-L87 HydrophobicContact CB-CD1 4.37Å
58	K	89.4	Confident	89.8	Confident	77 Å²	77	46.9 Å²	46.9	34%	0.335	27%	0.268	S	S	.	.	H	α-helix	trans	-49.5	-38.9	178.5	171.9	177.3	176.6	-174.3	0	113.4	P53 G55 H61 S62 N243	P53-K58 WeakPolarHBondContact O-CB 3.04Å; P53-K58 VanDerWaalsContact O-CG 3.3Å; P53-K58 WeakPolarHBondContact O-CG 3.32Å; G55-K58 VanDerWaalsContact O-CB 3.25Å; G55-K58 WeakPolarHBondContact O-CB 3.47Å; G55-K58 PolarHBondContact O-N 3.37Å; G55-K58 VanDerWaalsContact O-N 3.07Å; K58-H61 WeakPolarHBondContact O-CB 3.48Å; K58-H61 PolarHBondContact O-N 3.29Å; K58-S62 PolarHBondContact O-N 3.09Å; K58-S62 PolarHBondContact O-OG 3Å; K58-N243 WeakPolarHBondContact CE-OD1 3.47Å
59	L	88.8	Confident	90.4	Very high	31 Å²	31	43.2 Å²	43.2	16%	0.162	26%	0.258	C	S	.	.	H	α-helix	trans	-66.7	-39.3	178.1	-69.9	-175.4	0	0	0	112.2	F57 S62 L63 L202 V203 Y238 W245	F57-L59 PolarHBondContact O-N 3.34Å; F57-L59 VanDerWaalsContact O-N 3.13Å; L59-S62 WeakPolarHBondContact CA-OG 3.41Å; L59-S62 PolarHBondContact O-N 2.92Å; L59-S62 PolarHBondContact O-OG 3.38Å; L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 PolarHBondContact O-N 3.04Å; L59-L202 HydrophobicContact CD1-CB 4.18Å; L59-L202 HydrophobicContact CD1-CD1 4.49Å; L59-V203 HydrophobicContact CD1-CG2 4.4Å; L59-Y238 HydrophobicContact CD2-CD1 4.02Å; L59-Y238 HydrophobicContact CD2-CD2 3.88Å; L59-Y238 HydrophobicContact CD2-CE1 3.61Å; L59-Y238 HydrophobicContact CD2-CE2 3.45Å; L59-Y238 VanDerWaalsContact CD2-CE2 3.45Å; L59-Y238 HydrophobicContact CD2-CG 4.14Å; L59-W245 HydrophobicContact CB-CZ2 4.21Å; L59-W245 HydrophobicContact CD2-CZ2 4.39Å; L59-W245 PolarHBondContact O-NE1 3.43Å; L59-W245 VanDerWaalsContact O-NE1 3.08Å
60	L	88.8	Confident	90.9	Very high	46 Å²	46	42.7 Å²	42.7	24%	0.241	25%	0.251	C	S	.	.	H	α-helix	trans	-69.5	-36.3	174.9	-65.3	-178.9	0	0	0	112.1	W50 F57 L63 N64 R67 L87 E152	W50-L60 HydrophobicContact CZ3-CD1 4.13Å; F57-L60 HydrophobicContact CD1-CD1 3.83Å; F57-L60 PolarHBondContact O-N 3.09Å; L60-L63 HydrophobicContact CD2-CD2 4.32Å; L60-L63 PolarHBondContact O-N 3.45Å; L60-N64 PolarHBondContact O-N 2.89Å; L60-R67 PolarHBondContact O-NH2 2.88Å; L60-R67 VanDerWaalsContact O-NH2 3.1Å; L60-L87 HydrophobicContact CB-CD1 3.89Å; L60-E152 HydrophobicContact CD2-CG 4.35Å
61	H	91.7	Very high	91.2	Very high	38 Å²	38	41.3 Å²	41.3	18%	0.176	25%	0.246	C	C	.	.	H	α-helix	trans	-57.7	-50.4	171.3	-85.3	-84.5	0	0	0	111.4	W50 F57 K58 L63 N64 L87	W50-H61 PolarHBondContact O-NE2 3.47Å; F57-H61 PolarHBondContact O-CD2 2.96Å; F57-H61 PolarHBondContact O-N 2.86Å; K58-H61 WeakPolarHBondContact O-CB 3.48Å; K58-H61 PolarHBondContact O-N 3.29Å; H61-L63 VanDerWaalsContact C-N 3.31Å; H61-L63 PolarHBondContact O-N 3.24Å; H61-N64 WeakPolarHBondContact O-CB 3.33Å; H61-N64 PolarHBondContact O-N 3.45Å; H61-L87 WeakPolarHBondContact CE1-CD2 3.49Å; H61-L87 WeakPolarHBondContact NE2-CD2 3.46Å
62	S	93.9	Very high	91	Very high	17 Å²	17	45 Å²	45	12%	0.119	26%	0.26	C	S	.	.	H	α-helix	trans	-67.7	-30.7	179.5	53.7	0	0	0	0	112.7	K58 L59 N64 G65 N243 W245	K58-S62 PolarHBondContact O-N 3.09Å; K58-S62 PolarHBondContact O-OG 3Å; L59-S62 WeakPolarHBondContact CA-OG 3.41Å; L59-S62 PolarHBondContact O-N 2.92Å; L59-S62 PolarHBondContact O-OG 3.38Å; S62-N64 PolarHBondContact O-N 2.9Å; S62-G65 PolarHBondContact O-N 2.82Å; S62-N243 WeakPolarHBondContact CB-O 3.2Å; S62-W245 PolarHBondContact OG-NE1 2.86Å
63	L	94.2	Very high	90.4	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-27	178.8	-172.7	61.9	0	0	0	112.5	L59 L60 H61 G65 I66 R67 F236 W245	L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 PolarHBondContact O-N 3.04Å; L60-L63 HydrophobicContact CD2-CD2 4.32Å; L60-L63 PolarHBondContact O-N 3.45Å; H61-L63 VanDerWaalsContact C-N 3.31Å; H61-L63 PolarHBondContact O-N 3.24Å; L63-G65 PolarHBondContact O-N 3.39Å; L63-G65 VanDerWaalsContact O-N 3.11Å; L63-I66 HydrophobicContact CD1-CD1 3.75Å; L63-I66 HydrophobicContact CD1-CG1 3.85Å; L63-I66 VanDerWaalsContact O-CG1 3.3Å; L63-I66 WeakPolarHBondContact O-CG1 3.45Å; L63-I66 PolarHBondContact O-N 3.36Å; L63-R67 HydrophobicContact CG-CG 3.96Å; L63-R67 PolarHBondContact O-N 2.78Å; L63-R67 VanDerWaalsContact O-N 3.08Å; L63-F236 HydrophobicContact CD1-CD2 3.83Å; L63-F236 HydrophobicContact CD1-CE2 3.65Å; L63-F236 HydrophobicContact CD1-CZ 4.36Å; L63-F236 HydrophobicContact CD2-CE2 4.46Å; L63-W245 HydrophobicContact CB-CG 4.41Å; L63-W245 HydrophobicContact CD1-CB 4.18Å; L63-W245 HydrophobicContact CD1-CD2 3.68Å; L63-W245 HydrophobicContact CD1-CE3 4.09Å; L63-W245 HydrophobicContact CD1-CG 3.75Å; L63-W245 VanDerWaalsContact N-CD1 3.27Å
64	N	96	Very high	89.5	Confident	17 Å²	17	43.8 Å²	43.8	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-58.7	-22.3	171.3	-77.6	-12.1	0	0	0	113.6	L60 H61 S62 I66 R67 V68 L87	L60-N64 PolarHBondContact O-N 2.89Å; H61-N64 WeakPolarHBondContact O-CB 3.33Å; H61-N64 PolarHBondContact O-N 3.45Å; S62-N64 PolarHBondContact O-N 2.9Å; N64-I66 PolarHBondContact O-N 3.03Å; N64-R67 PolarHBondContact OD1-NE 3.1Å; N64-R67 PolarHBondContact OD1-NH2 2.75Å; N64-V68 HydrophobicContact CB-CG2 3.87Å; N64-V68 WeakPolarHBondContact O-CB 3.32Å; N64-V68 WeakPolarHBondContact O-CG2 3.32Å; N64-V68 PolarHBondContact O-N 2.84Å; N64-V68 VanDerWaalsContact O-N 3.09Å; N64-L87 PolarHBondContact ND2-O 3.03Å
65	G	95.7	Very high	89.3	Confident	57 Å²	57	41.2 Å²	41.2	59%	0.588	23%	0.233	S	C	*	.	H	α-helix	trans	-58.1	-27.7	173.9	0	0	0	0	0	113.5	S62 L63	S62-G65 PolarHBondContact O-N 2.82Å; L63-G65 PolarHBondContact O-N 3.39Å; L63-G65 VanDerWaalsContact O-N 3.11Å
66	I	95.8	Very high	89.6	Confident	12 Å²	12	44.4 Å²	44.4	6%	0.062	25%	0.254	C	S	.	.	H	α-helix	trans	-107.5	-35.8	175.2	64.9	167.7	0	0	0	113.1	L63 N64 W70 F236 W245 W247	L63-I66 HydrophobicContact CD1-CD1 3.75Å; L63-I66 HydrophobicContact CD1-CG1 3.85Å; L63-I66 VanDerWaalsContact O-CG1 3.3Å; L63-I66 WeakPolarHBondContact O-CG1 3.45Å; L63-I66 PolarHBondContact O-N 3.36Å; N64-I66 PolarHBondContact O-N 3.03Å; I66-W70 WeakPolarHBondContact O-CB 3.37Å; I66-W70 PolarHBondContact O-N 2.98Å; I66-F236 HydrophobicContact CD1-CB 3.55Å; I66-F236 HydrophobicContact CD1-CD1 4.44Å; I66-F236 HydrophobicContact CD1-CD2 4.1Å; I66-F236 HydrophobicContact CD1-CG 3.8Å; I66-W245 HydrophobicContact CD1-CB 3.87Å; I66-W245 HydrophobicContact CG1-CB 4.1Å; I66-W245 HydrophobicContact CG2-CB 4.15Å; I66-W245 VanDerWaalsContact CG2-O 3.25Å; I66-W245 WeakPolarHBondContact CG2-O 3.33Å; I66-W247 HydrophobicContact CB-CZ2 3.78Å; I66-W247 HydrophobicContact CD1-CD2 4.36Å; I66-W247 HydrophobicContact CD1-CE3 4.3Å; I66-W247 HydrophobicContact CD1-CH2 3.97Å; I66-W247 HydrophobicContact CD1-CZ2 4.03Å; I66-W247 HydrophobicContact CD1-CZ3 4.08Å; I66-W247 HydrophobicContact CG1-CH2 4.42Å; I66-W247 HydrophobicContact CG1-CZ2 4.14Å
67	R	96	Very high	90.4	Very high	10 Å²	10	42.3 Å²	42.3	4%	0.038	24%	0.237	C	C	.	.	H	α-helix	trans	-67.4	-45.4	-177.7	-66.3	-175.4	-61.7	-173.1	-1.4	112.5	L60 L63 N64 W70 I71 L88 S151	L60-R67 PolarHBondContact O-NH2 2.88Å; L60-R67 VanDerWaalsContact O-NH2 3.1Å; L63-R67 HydrophobicContact CG-CG 3.96Å; L63-R67 PolarHBondContact O-N 2.78Å; L63-R67 VanDerWaalsContact O-N 3.08Å; N64-R67 PolarHBondContact OD1-NE 3.1Å; N64-R67 PolarHBondContact OD1-NH2 2.75Å; R67-W70 PolarHBondContact O-N 3.19Å; R67-I71 HydrophobicContact CB-CD1 4.42Å; R67-I71 WeakPolarHBondContact O-CG1 3.43Å; R67-I71 PolarHBondContact O-N 3.32Å; R67-L88 HydrophobicContact CB-CD1 4.09Å; R67-S151 WeakPolarHBondContact CD-OG 3.4Å; R67-S151 PolarHBondContact NH1-OG 2.8Å
68	V	96.8	Very high	91	Very high	16 Å²	16	39.7 Å²	39.7	10%	0.097	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-50	-173.4	172.4	0	0	0	0	111.5	N64 W70 I71 R72 L88 R91 L92 L95	N64-V68 HydrophobicContact CB-CG2 3.87Å; N64-V68 WeakPolarHBondContact O-CB 3.32Å; N64-V68 WeakPolarHBondContact O-CG2 3.32Å; N64-V68 PolarHBondContact O-N 2.84Å; N64-V68 VanDerWaalsContact O-N 3.09Å; V68-W70 VanDerWaalsContact C-N 3.27Å; V68-W70 PolarHBondContact O-N 2.72Å; V68-I71 PolarHBondContact O-N 3.28Å; V68-R72 WeakPolarHBondContact O-CB 3.28Å; V68-R72 PolarHBondContact O-N 2.72Å; V68-L88 HydrophobicContact CG2-CD1 3.72Å; V68-R91 HydrophobicContact CG2-CB 3.78Å; V68-L92 HydrophobicContact CG1-CD2 4.46Å; V68-L95 HydrophobicContact CG1-CD1 3.18Å
69	P	94.7	Very high	91.4	Very high	61 Å²	61	36 Å²	36	40%	0.396	21%	0.21	S	C	.	.	H	α-helix	trans	-61.1	-36.8	175.3	-23.4	34.9	0	0	0	112.9
70	W	94.6	Very high	91.8	Very high	41 Å²	41	34.8 Å²	34.8	16%	0.155	20%	0.203	C	C	.	.	H	α-helix	trans	-66.4	-37.9	-178.9	178.8	54.4	0	0	0	113.4	I66 R67 V68 F178 T180 W247 A256 L257 C258	I66-W70 WeakPolarHBondContact O-CB 3.37Å; I66-W70 PolarHBondContact O-N 2.98Å; R67-W70 PolarHBondContact O-N 3.19Å; V68-W70 VanDerWaalsContact C-N 3.27Å; V68-W70 PolarHBondContact O-N 2.72Å; W70-F178 AromaticContact CD2-CD1 3.95Å; W70-F178 HydrophobicContact CD2-CD1 3.95Å; W70-F178 HydrophobicContact CD2-CE1 4.24Å; W70-F178 AromaticContact CE2-CD1 3.8Å; W70-F178 AromaticContact CE3-CD1 3.9Å; W70-F178 HydrophobicContact CE3-CD1 3.9Å; W70-F178 HydrophobicContact CH2-CB 4.04Å; W70-F178 AromaticContact CH2-CD1 3.62Å; W70-F178 HydrophobicContact CH2-CD1 3.62Å; W70-F178 HydrophobicContact CH2-CG 4.33Å; W70-F178 AromaticContact CZ2-CD1 3.68Å; W70-F178 HydrophobicContact CZ2-CD1 3.68Å; W70-F178 HydrophobicContact CZ2-CE1 4.3Å; W70-F178 HydrophobicContact CZ3-CB 3.95Å; W70-F178 AromaticContact CZ3-CD1 3.73Å; W70-F178 HydrophobicContact CZ3-CD1 3.73Å; W70-F178 HydrophobicContact CZ3-CG 4.31Å; W70-T180 HydrophobicContact CZ3-CG2 4.03Å; W70-W247 HydrophobicContact CB-CZ2 3.93Å; W70-W247 HydrophobicContact CD2-CH2 4.11Å; W70-W247 HydrophobicContact CD2-CZ2 4.21Å; W70-W247 HydrophobicContact CE3-CH2 4.24Å; W70-W247 HydrophobicContact CG-CH2 4.32Å; W70-W247 AromaticContact CG-CZ2 3.95Å; W70-W247 HydrophobicContact CG-CZ2 3.95Å; W70-A256 HydrophobicContact CH2-CB 3.62Å; W70-A256 HydrophobicContact CZ2-CB 3.99Å; W70-A256 HydrophobicContact CZ3-CB 4Å; W70-L257 WeakPolarHBondContact CH2-O 3.21Å; W70-C258 HydrophobicContact CZ2-CB 3.67Å
71	I	95.5	Very high	92.2	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-87.7	-42.6	-178.5	-63.3	163.6	0	0	0	111.6	R67 V68 D73 A74 V75 I78 L88 L92 V149 F178	R67-I71 HydrophobicContact CB-CD1 4.42Å; R67-I71 WeakPolarHBondContact O-CG1 3.43Å; R67-I71 PolarHBondContact O-N 3.32Å; V68-I71 PolarHBondContact O-N 3.28Å; I71-D73 VanDerWaalsContact C-N 3.31Å; I71-D73 PolarHBondContact O-N 3.32Å; I71-A74 WeakPolarHBondContact O-CB 3.41Å; I71-A74 PolarHBondContact O-N 3.31Å; I71-A74 VanDerWaalsContact O-N 3.16Å; I71-V75 HydrophobicContact CG2-CG2 4.28Å; I71-I78 HydrophobicContact CG2-CD1 4.02Å; I71-L88 HydrophobicContact CD1-CD1 4.28Å; I71-L88 HydrophobicContact CD1-CD2 3.98Å; I71-L92 HydrophobicContact CB-CD2 3.97Å; I71-L92 HydrophobicContact CG2-CD1 3.95Å; I71-L92 HydrophobicContact CG2-CD2 3.81Å; I71-V149 HydrophobicContact CD1-CG1 3.93Å; I71-V149 HydrophobicContact CD1-CG2 4.11Å; I71-V149 HydrophobicContact CG2-CG2 4.16Å; I71-F178 HydrophobicContact CG1-CB 4.41Å; I71-F178 HydrophobicContact CG1-CD1 4.02Å; I71-F178 HydrophobicContact CG1-CD2 4.36Å; I71-F178 HydrophobicContact CG1-CE1 4.35Å; I71-F178 HydrophobicContact CG1-CG 4.02Å; I71-F178 HydrophobicContact CG2-CD2 4.46Å; I71-F178 HydrophobicContact CG2-CE2 4.36Å
72	R	89.1	Confident	92.3	Very high	106 Å²	106	32 Å²	32	40%	0.4	20%	0.195	S	C	.	.	H	α-helix	trans	-55.7	-43.1	-169.7	179.4	-160.9	66.1	-158.7	-5.4	112.9	V68 A74 L95	V68-R72 WeakPolarHBondContact O-CB 3.28Å; V68-R72 PolarHBondContact O-N 2.72Å; R72-A74 PolarHBondContact O-N 3.31Å; R72-L95 HydrophobicContact CB-CD1 4.4Å; R72-L95 HydrophobicContact CG-CB 4.04Å; R72-L95 HydrophobicContact CG-CD1 4.08Å
73	D	75.4	Confident	92.4	Very high	120 Å²	120	31.6 Å²	31.6	64%	0.642	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-1.3	-171.5	-66.4	-10.4	0	0	0	112.8	I71	I71-D73 VanDerWaalsContact C-N 3.31Å; I71-D73 PolarHBondContact O-N 3.32Å
74	A	68.3	Low	92.3	Very high	46 Å²	46	31.7 Å²	31.7	38%	0.38	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-23.4	-169	0	0	0	0	0	114.9	I71 R72 L176 F178	I71-A74 WeakPolarHBondContact O-CB 3.41Å; I71-A74 PolarHBondContact O-N 3.31Å; I71-A74 VanDerWaalsContact O-N 3.16Å; R72-A74 PolarHBondContact O-N 3.31Å; A74-L176 HydrophobicContact CB-CD1 3.42Å; A74-L176 VanDerWaalsContact CB-CD1 3.42Å; A74-F178 HydrophobicContact CB-CZ 3.89Å
75	V	81.9	Confident	92.2	Very high	25 Å²	25	30.9 Å²	30.9	15%	0.152	19%	0.19	C	C	.	.			trans	-156.5	147.3	-161.3	-76.7	0	0	0	0	117	I71 I78 D146 A147 L176	I71-V75 HydrophobicContact CG2-CG2 4.28Å; V75-I78 HydrophobicContact CB-CG1 4.25Å; V75-I78 HydrophobicContact CG2-CD1 3.55Å; V75-I78 HydrophobicContact CG2-CG1 3.64Å; V75-D146 HydrophobicContact CB-CB 4.24Å; V75-D146 HydrophobicContact CG1-CB 3.96Å; V75-A147 HydrophobicContact CB-CB 3.92Å; V75-A147 HydrophobicContact CG1-CB 3.43Å; V75-A147 VanDerWaalsContact CG1-CB 3.43Å; V75-A147 HydrophobicContact CG2-CB 3.76Å; V75-L176 HydrophobicContact CG1-CD1 4.3Å
76	S	90.4	Very high	92.3	Very high	80 Å²	80	28.2 Å²	28.2	56%	0.559	16%	0.162	S	C	*	.	S	Bend	trans	-98.2	-33.2	177	41.4	0	0	0	0	114.9	K98 D146	S76-K98 PolarHBondContact O-N 3.01Å; S76-D146 PolarHBondContact OG-OD2 3.1Å
77	F	96.4	Very high	92.3	Very high	28 Å²	28	27.9 Å²	27.9	12%	0.123	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	114.7	-177.2	-169.1	-152.5	0	0	0	112	K98 Y100 Q144 F145 D146 A147	F77-K98 CarbonylContact C-O 3.41Å; F77-K98 WeakPolarHBondContact CA-O 3.26Å; F77-K98 HydrophobicContact CD2-CB 3.68Å; F77-K98 HydrophobicContact CD2-CD 3.7Å; F77-K98 HydrophobicContact CD2-CG 3.65Å; F77-K98 WeakPolarHBondContact CD2-O 3.45Å; F77-K98 HydrophobicContact CE2-CB 4.22Å; F77-K98 HydrophobicContact CE2-CD 3.52Å; F77-K98 HydrophobicContact CE2-CG 3.65Å; F77-K98 HydrophobicContact CZ-CD 4.26Å; F77-Y100 AromaticContact CE2-CD2 3.44Å; F77-Y100 HydrophobicContact CE2-CD2 3.44Å; F77-Y100 VanDerWaalsContact CE2-CD2 3.44Å; F77-Y100 AromaticContact CE2-CE2 3.52Å; F77-Y100 HydrophobicContact CE2-CE2 3.52Å; F77-Y100 AromaticContact CZ-CD2 3.76Å; F77-Y100 HydrophobicContact CZ-CD2 3.76Å; F77-Y100 AromaticContact CZ-CE2 3.64Å; F77-Y100 HydrophobicContact CZ-CE2 3.64Å; F77-Q144 WeakPolarHBondContact CD1-O 3.32Å; F77-Q144 HydrophobicContact CE1-CG 3.87Å; F77-F145 HydrophobicContact CD1-CD1 4.04Å; F77-F145 HydrophobicContact CD2-CD1 4.14Å; F77-F145 HydrophobicContact CD2-CE1 4.31Å; F77-F145 AromaticContact CE1-CD1 3.93Å; F77-F145 HydrophobicContact CE1-CD1 3.93Å; F77-F145 AromaticContact CE1-CE1 4Å; F77-F145 HydrophobicContact CE1-CE1 4Å; F77-F145 HydrophobicContact CE2-CD1 4.06Å; F77-F145 AromaticContact CE2-CE1 3.78Å; F77-F145 HydrophobicContact CE2-CE1 3.78Å; F77-F145 HydrophobicContact CG-CD1 4.14Å; F77-F145 AromaticContact CZ-CD1 3.93Å; F77-F145 HydrophobicContact CZ-CD1 3.93Å; F77-F145 AromaticContact CZ-CE1 3.58Å; F77-F145 HydrophobicContact CZ-CE1 3.58Å; F77-F145 HydrophobicContact CZ-CZ 4.38Å; F77-D146 HydrophobicContact CB-CB 4.5Å; F77-D146 VanDerWaalsContact CB-OD2 3.28Å; F77-D146 WeakPolarHBondContact CB-OD2 3.28Å; F77-D146 PolarHBondContact N-OD2 2.95Å; F77-D146 WeakPolarHBondContact O-CA 3.37Å; F77-D146 WeakPolarHBondContact O-CB 3.42Å; F77-D146 PolarHBondContact O-N 3Å; F77-A147 PolarHBondContact O-N 3.29Å; F77-A147 VanDerWaalsContact O-N 3.09Å
78	I	97.6	Very high	92.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.6	-165.5	-51.4	178.7	0	0	0	110.5	I71 V75 L92 A97 K98 V99 Y100 A147 V149	I71-I78 HydrophobicContact CG2-CD1 4.02Å; V75-I78 HydrophobicContact CB-CG1 4.25Å; V75-I78 HydrophobicContact CG2-CD1 3.55Å; V75-I78 HydrophobicContact CG2-CG1 3.64Å; I78-L92 HydrophobicContact CD1-CB 4.38Å; I78-L92 HydrophobicContact CD1-CD1 3.99Å; I78-A97 HydrophobicContact CD1-CB 3.8Å; I78-A97 HydrophobicContact CG1-CB 4.33Å; I78-K98 PolarHBondContact N-O 3.45Å; I78-V99 HydrophobicContact CB-CG1 4.42Å; I78-V99 HydrophobicContact CB-CG2 4.34Å; I78-V99 CarbonylContact O-C 3.53Å; I78-V99 WeakPolarHBondContact O-CA 3.23Å; I78-Y100 PolarHBondContact O-N 3.06Å; I78-A147 WeakPolarHBondContact CA-O 3.42Å; I78-V149 HydrophobicContact CG2-CB 4.49Å; I78-V149 HydrophobicContact CG2-CG2 3.66Å
79	A	97.7	Very high	92.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.6	159.9	0	0	0	0	0	109.3	Y100 F136 F145 A147 F148 V149	A79-Y100 WeakPolarHBondContact CA-O 3.41Å; A79-F136 HydrophobicContact CB-CE1 3.76Å; A79-F136 HydrophobicContact CB-CZ 3.85Å; A79-F145 HydrophobicContact CB-CB 4.42Å; A79-F145 HydrophobicContact CB-CD1 3.7Å; A79-F145 HydrophobicContact CB-CD2 3.84Å; A79-F145 HydrophobicContact CB-CE1 3.79Å; A79-F145 HydrophobicContact CB-CE2 3.94Å; A79-F145 HydrophobicContact CB-CG 3.71Å; A79-F145 HydrophobicContact CB-CZ 3.9Å; A79-A147 PolarHBondContact N-O 3.03Å; A79-F148 HydrophobicContact CB-CD2 3.97Å; A79-F148 CarbonylContact O-C 3.55Å; A79-F148 WeakPolarHBondContact O-CA 3.09Å; A79-V149 PolarHBondContact O-N 3.36Å
80	E	97.7	Very high	92.4	Very high	5 Å²	5	24 Å²	24	2%	0.023	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.5	170.8	-176.4	178.1	175.1	0	0	109.1	C83 L88 S89 Y100 G101 A102 V149	E80-C83 HydrophobicContact CG-CB 4.13Å; E80-L88 WeakPolarHBondContact OE1-CB 3.43Å; E80-S89 VanDerWaalsContact CD-OG 3.23Å; E80-S89 VanDerWaalsContact OE2-CA 3.23Å; E80-S89 WeakPolarHBondContact OE2-CA 3.25Å; E80-S89 VanDerWaalsContact OE2-CB 3.26Å; E80-S89 WeakPolarHBondContact OE2-CB 3.3Å; E80-S89 PolarHBondContact OE2-N 3.24Å; E80-S89 PolarHBondContact OE2-OG 2.86Å; E80-Y100 PolarHBondContact N-O 3.41Å; E80-G101 CarbonylContact O-C 3.59Å; E80-G101 VanDerWaalsContact O-CA 3.29Å; E80-G101 WeakPolarHBondContact O-CA 3.43Å; E80-A102 PolarHBondContact O-N 2.85Å; E80-V149 WeakPolarHBondContact CA-O 3.38Å; E80-V149 HydrophobicContact CB-CB 4.37Å; E80-V149 HydrophobicContact CG-CB 4.28Å; E80-V149 HydrophobicContact CG-CG1 4.37Å
81	V	96.5	Very high	92.5	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.036	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.9	175.1	175.6	0	0	0	0	108.5	A102 I133 F136 F148 V149 V153 F163	V81-A102 CarbonylContact C-O 3.48Å; V81-A102 HydrophobicContact CG2-CB 4.5Å; V81-I133 HydrophobicContact CG1-CD1 4.45Å; V81-I133 HydrophobicContact CG2-CD1 3.95Å; V81-F136 HydrophobicContact CG2-CD1 3.94Å; V81-F136 HydrophobicContact CG2-CE1 4.18Å; V81-F136 HydrophobicContact CG2-CG 4.25Å; V81-F148 HydrophobicContact CB-CE2 4.06Å; V81-F148 HydrophobicContact CB-CZ 3.76Å; V81-F148 HydrophobicContact CG2-CE2 3.5Å; V81-F148 VanDerWaalsContact CG2-CE2 3.5Å; V81-F148 HydrophobicContact CG2-CZ 3.73Å; V81-V149 PolarHBondContact N-O 2.73Å; V81-V149 VanDerWaalsContact N-O 3.08Å; V81-V153 WeakPolarHBondContact O-CG2 3.3Å; V81-F163 HydrophobicContact CB-CZ 4.32Å; V81-F163 HydrophobicContact CG1-CE2 3.83Å; V81-F163 HydrophobicContact CG1-CZ 4.04Å
82	G	94.3	Very high	92.6	Very high	21 Å²	21	26.6 Å²	26.6	22%	0.216	15%	0.146	C	C	.	.	S	Bend	trans	80	43.2	-166.3	0	0	0	0	0	112.6	G84 A102 D103	G82-G84 PolarHBondContact O-N 3.18Å; G82-A102 WeakPolarHBondContact CA-O 3.3Å; G82-A102 PolarHBondContact N-O 3.01Å; G82-D103 VanDerWaalsContact CA-OD2 3.3Å; G82-D103 WeakPolarHBondContact CA-OD2 3.43Å
83	C	95.6	Very high	92.9	Very high	8 Å²	8	21.6 Å²	21.6	5%	0.054	13%	0.127	C	C	.	.			trans	-73.2	-13.4	-175	67.4	0	0	0	0	114.2	E80 G85 G86 A102 D103 Y128	E80-C83 HydrophobicContact CG-CB 4.13Å; C83-G85 PolarHBondContact O-N 2.92Å; C83-G86 PolarHBondContact O-N 2.95Å; C83-A102 PolarHBondContact N-O 2.81Å; C83-A102 VanDerWaalsContact SG-C 3.6Å; C83-D103 PolarHBondContact N-OD2 3.41Å; C83-Y128 HydrophobicContact CB-CE1 4.41Å
84	G	93.2	Very high	93.9	Very high	5 Å²	5	18.4 Å²	18.4	5%	0.052	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	-132.3	-174.6	0	0	0	0	0	112.1	G82 G86 D103 S108	G82-G84 PolarHBondContact O-N 3.18Å; G84-G86 PolarHBondContact O-N 2.85Å; G84-G86 VanDerWaalsContact O-N 3.11Å; G84-D103 WeakPolarHBondContact CA-OD2 3.16Å; G84-D103 PolarHBondContact N-OD2 2.83Å; G84-S108 CarbonylContact O-C 3.49Å
85	G	94	Very high	95.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	9.2	175.8	0	0	0	0	0	115.8	W51 C83 A112	W51-G85 VanDerWaalsContact CE2-O 3.31Å; W51-G85 VanDerWaalsContact CZ2-O 3.3Å; W51-G85 WeakPolarHBondContact CZ2-O 3.15Å; W51-G85 PolarHBondContact NE1-O 2.82Å; C83-G85 PolarHBondContact O-N 2.92Å; G85-A112 VanDerWaalsContact C-CB 3.48Å; G85-A112 WeakPolarHBondContact O-CA 3.46Å
86	G	96.1	Very high	95.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	84.2	17	174.2	0	0	0	0	0	115.5	C83 G84 L88 E90 Y128	C83-G86 PolarHBondContact O-N 2.95Å; G84-G86 PolarHBondContact O-N 2.85Å; G84-G86 VanDerWaalsContact O-N 3.11Å; G86-L88 VanDerWaalsContact C-N 3.33Å; G86-L88 PolarHBondContact O-N 2.71Å; G86-E90 VanDerWaalsContact O-CB 3.28Å; G86-E90 WeakPolarHBondContact O-CB 3.34Å; G86-E90 PolarHBondContact O-N 2.88Å; G86-Y128 VanDerWaalsContact CA-OH 3.28Å; G86-Y128 WeakPolarHBondContact CA-OH 3.4Å; G86-Y128 PolarHBondContact O-OH 2.76Å
87	L	95.8	Very high	95.9	Very high	6 Å²	6	17.1 Å²	17.1	3%	0.031	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-41.6	-173.8	-65.8	-175.9	0	0	0	113.2	W50 W51 F57 L60 H61 N64 R91	W50-L87 HydrophobicContact CE3-CD1 3.92Å; W50-L87 HydrophobicContact CE3-CG 4.07Å; W50-L87 HydrophobicContact CZ3-CD1 4.07Å; W50-L87 HydrophobicContact CZ3-CG 4.38Å; W51-L87 HydrophobicContact CD2-CD2 3.66Å; W51-L87 HydrophobicContact CE3-CD2 3.67Å; W51-L87 HydrophobicContact CG-CD2 4.33Å; W51-L87 HydrophobicContact CH2-CD2 3.93Å; W51-L87 HydrophobicContact CZ2-CD2 3.91Å; W51-L87 HydrophobicContact CZ3-CD2 3.8Å; F57-L87 HydrophobicContact CB-CD1 4.37Å; L60-L87 HydrophobicContact CB-CD1 3.89Å; H61-L87 WeakPolarHBondContact CE1-CD2 3.49Å; H61-L87 WeakPolarHBondContact NE2-CD2 3.46Å; N64-L87 PolarHBondContact ND2-O 3.03Å; L87-R91 WeakPolarHBondContact O-CG 3.49Å
88	L	96.8	Very high	96	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-50.3	-180	175.2	58.4	0	0	0	110.9	R67 V68 I71 E80 G86 E90 R91 L92 V149	R67-L88 HydrophobicContact CB-CD1 4.09Å; V68-L88 HydrophobicContact CG2-CD1 3.72Å; I71-L88 HydrophobicContact CD1-CD1 4.28Å; I71-L88 HydrophobicContact CD1-CD2 3.98Å; E80-L88 WeakPolarHBondContact OE1-CB 3.43Å; G86-L88 VanDerWaalsContact C-N 3.33Å; G86-L88 PolarHBondContact O-N 2.71Å; L88-E90 VanDerWaalsContact C-N 3.29Å; L88-E90 PolarHBondContact O-N 3.27Å; L88-R91 PolarHBondContact O-N 3.48Å; L88-L92 HydrophobicContact CD1-CD1 3.9Å; L88-L92 HydrophobicContact CD1-CD2 4.42Å; L88-L92 HydrophobicContact CD1-CG 3.96Å; L88-L92 HydrophobicContact CG-CD1 3.86Å; L88-L92 HydrophobicContact CG-CG 4.35Å; L88-L92 WeakPolarHBondContact O-CG 3.4Å; L88-L92 PolarHBondContact O-N 2.96Å; L88-V149 HydrophobicContact CD2-CG1 3.85Å
89	S	97.1	Very high	96	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-52.7	-45.5	-178.3	-36.5	0	0	0	0	112.4	E80 R91 L92 A93 Y128	E80-S89 VanDerWaalsContact CD-OG 3.23Å; E80-S89 VanDerWaalsContact OE2-CA 3.23Å; E80-S89 WeakPolarHBondContact OE2-CA 3.25Å; E80-S89 VanDerWaalsContact OE2-CB 3.26Å; E80-S89 WeakPolarHBondContact OE2-CB 3.3Å; E80-S89 PolarHBondContact OE2-N 3.24Å; E80-S89 PolarHBondContact OE2-OG 2.86Å; S89-R91 PolarHBondContact O-N 2.85Å; S89-L92 PolarHBondContact O-N 3.26Å; S89-A93 WeakPolarHBondContact O-CB 3.46Å; S89-A93 PolarHBondContact O-N 3.08Å; S89-Y128 WeakPolarHBondContact CB-OH 3.35Å
90	E	97.3	Very high	96	Very high	3 Å²	3	21 Å²	21	1%	0.014	12%	0.116	C	C	.	.	H	α-helix	trans	-67.9	-35.7	-178.6	-169.4	-178.6	127.7	0	0	112.3	W51 G86 L88 A93 T94 H115 N119 V122 L126	W51-E90 HydrophobicContact CH2-CB 4.01Å; W51-E90 HydrophobicContact CH2-CG 4.5Å; W51-E90 HydrophobicContact CZ2-CB 4.48Å; G86-E90 VanDerWaalsContact O-CB 3.28Å; G86-E90 WeakPolarHBondContact O-CB 3.34Å; G86-E90 PolarHBondContact O-N 2.88Å; L88-E90 VanDerWaalsContact C-N 3.29Å; L88-E90 PolarHBondContact O-N 3.27Å; E90-A93 PolarHBondContact O-N 3.21Å; E90-T94 VanDerWaalsContact O-CB 3.28Å; E90-T94 WeakPolarHBondContact O-CB 3.44Å; E90-T94 PolarHBondContact O-N 3.06Å; E90-T94 PolarHBondContact O-OG1 3.42Å; E90-H115 IonicContact OE1-CE1 3.35Å; E90-H115 PolarHBondContact OE1-CE1 3Å; E90-H115 IonicContact OE1-ND1 2.99Å; E90-H115 PolarHBondContact OE1-ND1 3.41Å; E90-H115 IonicContact OE2-CE1 3.39Å; E90-H115 IonicContact OE2-CG 3.12Å; E90-H115 IonicContact OE2-ND1 3.72Å; E90-H115 PolarHBondContact OE2-ND1 3.27Å; E90-N119 PolarHBondContact OE1-ND2 2.92Å; E90-N119 VanDerWaalsContact OE1-ND2 3.15Å; E90-V122 HydrophobicContact CG-CG1 4.24Å; E90-V122 HydrophobicContact CG-CG2 4.34Å; E90-L126 HydrophobicContact CB-CD2 3.94Å; E90-L126 HydrophobicContact CG-CD2 3.99Å
91	R	96.1	Very high	96	Very high	96 Å²	96	20.8 Å²	20.8	36%	0.362	12%	0.116	S	C	.	.	H	α-helix	trans	-69.1	-41.9	177.1	-67.2	-67	-179.2	-99.6	0.2	111	V68 L87 L88 S89 T94 L95	V68-R91 HydrophobicContact CG2-CB 3.78Å; L87-R91 WeakPolarHBondContact O-CG 3.49Å; L88-R91 PolarHBondContact O-N 3.48Å; S89-R91 PolarHBondContact O-N 2.85Å; R91-T94 PolarHBondContact O-N 3.11Å; R91-L95 WeakPolarHBondContact O-CD1 3.5Å; R91-L95 WeakPolarHBondContact O-CG 3.26Å; R91-L95 PolarHBondContact O-N 3.37Å; R91-L95 VanDerWaalsContact O-N 3.17Å
92	L	96.9	Very high	96	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-61.6	-43.8	173.7	-65.8	173.7	0	0	0	111.4	V68 I71 I78 L88 S89 L95 G96 A97 V99	V68-L92 HydrophobicContact CG1-CD2 4.46Å; I71-L92 HydrophobicContact CB-CD2 3.97Å; I71-L92 HydrophobicContact CG2-CD1 3.95Å; I71-L92 HydrophobicContact CG2-CD2 3.81Å; I78-L92 HydrophobicContact CD1-CB 4.38Å; I78-L92 HydrophobicContact CD1-CD1 3.99Å; L88-L92 HydrophobicContact CD1-CD1 3.9Å; L88-L92 HydrophobicContact CD1-CD2 4.42Å; L88-L92 HydrophobicContact CD1-CG 3.96Å; L88-L92 HydrophobicContact CG-CD1 3.86Å; L88-L92 HydrophobicContact CG-CG 4.35Å; L88-L92 WeakPolarHBondContact O-CG 3.4Å; L88-L92 PolarHBondContact O-N 2.96Å; S89-L92 PolarHBondContact O-N 3.26Å; L92-L95 PolarHBondContact O-N 2.79Å; L92-G96 PolarHBondContact O-N 2.86Å; L92-A97 HydrophobicContact CB-CB 4.46Å; L92-A97 WeakPolarHBondContact O-CB 3.29Å; L92-A97 PolarHBondContact O-N 2.77Å; L92-V99 HydrophobicContact CB-CG2 4Å
93	A	96.8	Very high	96	Very high	2 Å²	2	20.6 Å²	20.6	2%	0.017	11%	0.109	C	C	.	.	H	α-helix	trans	-66.2	-39	176.8	0	0	0	0	0	112.9	S89 E90 L95 G96 A97 V99 V122 L126	S89-A93 WeakPolarHBondContact O-CB 3.46Å; S89-A93 PolarHBondContact O-N 3.08Å; E90-A93 PolarHBondContact O-N 3.21Å; A93-L95 PolarHBondContact O-N 2.84Å; A93-G96 WeakPolarHBondContact O-CA 3.23Å; A93-G96 PolarHBondContact O-N 3.32Å; A93-A97 WeakPolarHBondContact CA-O 3.33Å; A93-V99 HydrophobicContact CB-CG2 4.09Å; A93-V122 HydrophobicContact CB-CB 3.98Å; A93-V122 HydrophobicContact CB-CG1 3.74Å; A93-L126 HydrophobicContact CB-CB 3.88Å; A93-L126 HydrophobicContact CB-CD1 4.15Å; A93-L126 HydrophobicContact CB-CD2 4.18Å; A93-L126 HydrophobicContact CB-CG 4.32Å
94	T	95.1	Very high	95.8	Very high	52 Å²	52	25 Å²	25	32%	0.319	14%	0.137	S	C	.	.	H	α-helix	trans	-60	-31.1	175.4	-62.9	0	0	0	0	111.5	E90 R91 G96 N119 V122	E90-T94 VanDerWaalsContact O-CB 3.28Å; E90-T94 WeakPolarHBondContact O-CB 3.44Å; E90-T94 PolarHBondContact O-N 3.06Å; E90-T94 PolarHBondContact O-OG1 3.42Å; R91-T94 PolarHBondContact O-N 3.11Å; T94-G96 VanDerWaalsContact C-N 3.27Å; T94-N119 PolarHBondContact OG1-ND2 3.45Å; T94-V122 WeakPolarHBondContact OG1-CG1 3.43Å
95	L	93.9	Very high	95.5	Very high	83 Å²	83	27.9 Å²	27.9	44%	0.435	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.7	176.5	-69.1	162	0	0	0	113.5	V68 R72 R91 L92 A93	V68-L95 HydrophobicContact CG1-CD1 3.18Å; R72-L95 HydrophobicContact CB-CD1 4.4Å; R72-L95 HydrophobicContact CG-CB 4.04Å; R72-L95 HydrophobicContact CG-CD1 4.08Å; R91-L95 WeakPolarHBondContact O-CD1 3.5Å; R91-L95 WeakPolarHBondContact O-CG 3.26Å; R91-L95 PolarHBondContact O-N 3.37Å; R91-L95 VanDerWaalsContact O-N 3.17Å; L92-L95 PolarHBondContact O-N 2.79Å; A93-L95 PolarHBondContact O-N 2.84Å
96	G	93.7	Very high	95.3	Very high	32 Å²	32	32.2 Å²	32.2	33%	0.33	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	110.8	-3.7	168	0	0	0	0	0	115.4	L92 A93 T94 R125	L92-G96 PolarHBondContact O-N 2.86Å; A93-G96 WeakPolarHBondContact O-CA 3.23Å; A93-G96 PolarHBondContact O-N 3.32Å; T94-G96 VanDerWaalsContact C-N 3.27Å; G96-R125 PolarHBondContact O-NH1 2.97Å
97	A	96.3	Very high	95	Very high	9 Å²	9	35 Å²	35	7%	0.074	19%	0.186	C	C	.	.			trans	-67.2	146.9	175.2	0	0	0	0	0	110.7	I78 L92 A93 V99 R125	I78-A97 HydrophobicContact CD1-CB 3.8Å; I78-A97 HydrophobicContact CG1-CB 4.33Å; L92-A97 HydrophobicContact CB-CB 4.46Å; L92-A97 WeakPolarHBondContact O-CB 3.29Å; L92-A97 PolarHBondContact O-N 2.77Å; A93-A97 WeakPolarHBondContact CA-O 3.33Å; A97-V99 HydrophobicContact CB-CG2 3.95Å; A97-R125 WeakPolarHBondContact O-CB 3.4Å
98	K	96.9	Very high	94.6	Very high	80 Å²	80	35 Å²	35	35%	0.348	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.1	161.7	-172.4	-178.8	-178.3	-170.8	0	107.5	S76 F77 I78 R125	S76-K98 PolarHBondContact O-N 3.01Å; F77-K98 CarbonylContact C-O 3.41Å; F77-K98 WeakPolarHBondContact CA-O 3.26Å; F77-K98 HydrophobicContact CD2-CB 3.68Å; F77-K98 HydrophobicContact CD2-CD 3.7Å; F77-K98 HydrophobicContact CD2-CG 3.65Å; F77-K98 WeakPolarHBondContact CD2-O 3.45Å; F77-K98 HydrophobicContact CE2-CB 4.22Å; F77-K98 HydrophobicContact CE2-CD 3.52Å; F77-K98 HydrophobicContact CE2-CG 3.65Å; F77-K98 HydrophobicContact CZ-CD 4.26Å; I78-K98 PolarHBondContact N-O 3.45Å; K98-R125 CarbonylContact C-O 3.47Å; K98-R125 VanDerWaalsContact CA-O 3.31Å; K98-R125 WeakPolarHBondContact CA-O 3.33Å
99	V	97.6	Very high	94.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.8	-173	-170.1	0	0	0	0	110.4	I78 L92 A93 A97 R125 L126 Q127	I78-V99 HydrophobicContact CB-CG1 4.42Å; I78-V99 HydrophobicContact CB-CG2 4.34Å; I78-V99 CarbonylContact O-C 3.53Å; I78-V99 WeakPolarHBondContact O-CA 3.23Å; L92-V99 HydrophobicContact CB-CG2 4Å; A93-V99 HydrophobicContact CB-CG2 4.09Å; A97-V99 HydrophobicContact CB-CG2 3.95Å; V99-R125 PolarHBondContact N-O 2.49Å; V99-L126 HydrophobicContact CB-CD1 3.8Å; V99-L126 HydrophobicContact CG1-CD1 4.17Å; V99-L126 WeakPolarHBondContact O-CA 3.35Å; V99-Q127 PolarHBondContact O-N 3.02Å
100	Y	97.7	Very high	94.4	Very high	29 Å²	29	37 Å²	37	11%	0.114	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.3	163.1	-80.7	-91.5	0	0	0	108.8	F77 I78 A79 E80 Q127 F140 F145	F77-Y100 AromaticContact CE2-CD2 3.44Å; F77-Y100 HydrophobicContact CE2-CD2 3.44Å; F77-Y100 VanDerWaalsContact CE2-CD2 3.44Å; F77-Y100 AromaticContact CE2-CE2 3.52Å; F77-Y100 HydrophobicContact CE2-CE2 3.52Å; F77-Y100 AromaticContact CZ-CD2 3.76Å; F77-Y100 HydrophobicContact CZ-CD2 3.76Å; F77-Y100 AromaticContact CZ-CE2 3.64Å; F77-Y100 HydrophobicContact CZ-CE2 3.64Å; I78-Y100 PolarHBondContact O-N 3.06Å; A79-Y100 WeakPolarHBondContact CA-O 3.41Å; E80-Y100 PolarHBondContact N-O 3.41Å; Y100-Q127 WeakPolarHBondContact CA-O 3.48Å; Y100-Q127 HydrophobicContact CD1-CB 3.7Å; Y100-Q127 HydrophobicContact CE1-CB 3.58Å; Y100-Q127 HydrophobicContact CE1-CG 4.1Å; Y100-Q127 HydrophobicContact CG-CB 4.49Å; Y100-Q127 PolarHBondContact OH-OE1 2.83Å; Y100-F140 HydrophobicContact CD1-CE1 4.06Å; Y100-F140 HydrophobicContact CD1-CE2 4.48Å; Y100-F140 AromaticContact CD1-CZ 3.46Å; Y100-F140 HydrophobicContact CD1-CZ 3.46Å; Y100-F140 VanDerWaalsContact CD1-CZ 3.46Å; Y100-F140 HydrophobicContact CD2-CE1 4.28Å; Y100-F140 HydrophobicContact CD2-CZ 4.29Å; Y100-F140 HydrophobicContact CE1-CE1 4.03Å; Y100-F140 AromaticContact CE1-CZ 3.78Å; Y100-F140 HydrophobicContact CE1-CZ 3.78Å; Y100-F140 HydrophobicContact CE2-CE1 4.29Å; Y100-F140 HydrophobicContact CG-CE1 4.17Å; Y100-F140 AromaticContact CG-CZ 3.73Å; Y100-F140 HydrophobicContact CG-CZ 3.73Å; Y100-F145 AromaticContact CD2-CE1 3.93Å; Y100-F145 HydrophobicContact CD2-CE1 3.93Å; Y100-F145 HydrophobicContact CD2-CZ 4.39Å; Y100-F145 HydrophobicContact CG-CE1 4.39Å
101	G	97.8	Very high	94.3	Very high	1 Å²	1	37 Å²	37	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	140.3	171.8	0	0	0	0	0	111.3	E80 Q127 Y128 A129	E80-G101 CarbonylContact O-C 3.59Å; E80-G101 VanDerWaalsContact O-CA 3.29Å; E80-G101 WeakPolarHBondContact O-CA 3.43Å; G101-Q127 PolarHBondContact N-O 2.86Å; G101-Y128 CarbonylContact O-C 3.5Å; G101-Y128 VanDerWaalsContact O-CA 3.24Å; G101-Y128 WeakPolarHBondContact O-CA 3.41Å; G101-A129 PolarHBondContact O-N 3.44Å
102	A	97	Very high	94.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.3	170.3	0	0	0	0	0	111	E80 V81 G82 C83 A129 A131 F136	E80-A102 PolarHBondContact O-N 2.85Å; V81-A102 CarbonylContact C-O 3.48Å; V81-A102 HydrophobicContact CG2-CB 4.5Å; G82-A102 WeakPolarHBondContact CA-O 3.3Å; G82-A102 PolarHBondContact N-O 3.01Å; C83-A102 PolarHBondContact N-O 2.81Å; C83-A102 VanDerWaalsContact SG-C 3.6Å; A102-A129 VanDerWaalsContact CA-O 3.32Å; A102-A129 WeakPolarHBondContact CA-O 3.38Å; A102-A131 HydrophobicContact CB-CB 4.29Å; A102-F136 HydrophobicContact CB-CD2 3.34Å; A102-F136 HydrophobicContact CB-CE2 3.66Å; A102-F136 HydrophobicContact CB-CG 4.11Å
103	D	95.2	Very high	94.2	Very high	23 Å²	23	36.3 Å²	36.3	12%	0.123	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	157	171.2	-154.9	-71.9	0	0	0	109.7	G82 C83 G84 D105 V109 A129 V130 A131	G82-D103 VanDerWaalsContact CA-OD2 3.3Å; G82-D103 WeakPolarHBondContact CA-OD2 3.43Å; C83-D103 PolarHBondContact N-OD2 3.41Å; G84-D103 WeakPolarHBondContact CA-OD2 3.16Å; G84-D103 PolarHBondContact N-OD2 2.83Å; D103-D105 PolarHBondContact OD1-N 2.96Å; D103-V109 HydrophobicContact CB-CG2 3.62Å; D103-A129 PolarHBondContact N-O 3.49Å; D103-V130 CarbonylContact O-C 3.55Å; D103-V130 VanDerWaalsContact O-CA 3.26Å; D103-V130 WeakPolarHBondContact O-CA 3.5Å; D103-A131 CarbonylContact C-O 3.46Å; D103-A131 PolarHBondContact O-N 3.44Å
104	T	90.6	Very high	94.1	Very high	102 Å²	102	40.2 Å²	40.2	63%	0.626	21%	0.214	S	C	*	.	S	Bend	trans	-82.5	-21.5	176.2	54.6	0	0	0	0	112	L106 D132	T104-L106 PolarHBondContact O-N 3.22Å; T104-D132 HydrophobicContact CG2-CB 3.71Å
105	D	86.9	Confident	94.1	Very high	64 Å²	64	39.9 Å²	39.9	34%	0.342	21%	0.209	S	C	.	.			trans	-83.7	108.4	177.5	179.6	34.8	0	0	0	112.1	D103 E107 S108 V109	D103-D105 PolarHBondContact OD1-N 2.96Å; D105-E107 VanDerWaalsContact C-N 3.26Å; D105-E107 PolarHBondContact O-N 3.36Å; D105-E107 PolarHBondContact OD1-N 3.34Å; D105-S108 PolarHBondContact O-N 3.13Å; D105-S108 WeakPolarHBondContact OD2-CB 3.39Å; D105-S108 PolarHBondContact OD2-N 2.82Å; D105-S108 PolarHBondContact OD2-OG 2.94Å; D105-V109 WeakPolarHBondContact O-CG2 3.24Å; D105-V109 PolarHBondContact O-N 2.96Å
106	L	90.8	Very high	94.1	Very high	92 Å²	92	37 Å²	37	48%	0.482	20%	0.195	S	C	.	.	H	α-helix	trans	-53.5	-43.2	178.5	171.6	62.9	0	0	0	112.2	T104 V109 Q110 V130	T104-L106 PolarHBondContact O-N 3.22Å; L106-V109 PolarHBondContact O-N 3.31Å; L106-Q110 HydrophobicContact CD1-CG 4.09Å; L106-Q110 WeakPolarHBondContact O-CB 3.28Å; L106-Q110 VanDerWaalsContact O-CG 3.31Å; L106-Q110 WeakPolarHBondContact O-CG 3.39Å; L106-Q110 PolarHBondContact O-N 3.07Å; L106-Q110 PolarHBondContact O-OE1 2.88Å; L106-V130 HydrophobicContact CB-CG2 4.35Å; L106-V130 HydrophobicContact CD1-CG2 3.7Å
107	E	88.2	Confident	94.2	Very high	57 Å²	57	42 Å²	42	27%	0.266	21%	0.208	S	C	.	.	H	α-helix	trans	-67.4	-44.6	-175.5	-79.2	171.2	-136.2	0	0	111.6	R42 L46 D105 Q110 V111	R42-E107 VanDerWaalsContact CZ-CD 3.49Å; R42-E107 IonicContact CZ-OE1 3.78Å; R42-E107 VanDerWaalsContact CZ-OE1 3.29Å; R42-E107 IonicContact CZ-OE2 2.56Å; R42-E107 IonicContact NE-OE2 3.2Å; R42-E107 PolarHBondContact NE-OE2 2.88Å; R42-E107 IonicContact NH1-OE1 2.7Å; R42-E107 IonicContact NH2-OE1 3.88Å; R42-E107 PolarHBondContact NH2-OE1 2.8Å; R42-E107 IonicContact NH2-OE2 3.79Å; R42-E107 PolarHBondContact NH2-OE2 2.62Å; L46-E107 HydrophobicContact CD1-CB 3.99Å; L46-E107 HydrophobicContact CD1-CG 4.1Å; L46-E107 WeakPolarHBondContact CD1-OE2 3.29Å; D105-E107 VanDerWaalsContact C-N 3.26Å; D105-E107 PolarHBondContact O-N 3.36Å; D105-E107 PolarHBondContact OD1-N 3.34Å; E107-Q110 PolarHBondContact O-N 2.99Å; E107-V111 WeakPolarHBondContact O-CG2 3.37Å; E107-V111 PolarHBondContact O-N 3.22Å
108	S	88.4	Confident	93.9	Very high	8 Å²	8	48.3 Å²	48.3	6%	0.056	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-42.1	174	-66.6	0	0	0	0	112.5	W50 G84 D105 Q110 V111 A112	W50-S108 WeakPolarHBondContact CZ2-OG 3.36Å; W50-S108 PolarHBondContact NE1-OG 3.37Å; G84-S108 CarbonylContact O-C 3.49Å; D105-S108 PolarHBondContact O-N 3.13Å; D105-S108 WeakPolarHBondContact OD2-CB 3.39Å; D105-S108 PolarHBondContact OD2-N 2.82Å; D105-S108 PolarHBondContact OD2-OG 2.94Å; S108-Q110 VanDerWaalsContact C-N 3.32Å; S108-Q110 PolarHBondContact O-N 3.42Å; S108-V111 WeakPolarHBondContact O-CB 3.3Å; S108-V111 PolarHBondContact O-N 3.29Å; S108-A112 PolarHBondContact O-N 2.9Å
109	V	94.6	Very high	93.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-39.4	175.7	171.7	0	0	0	0	111.6	D103 D105 L106 A112 K113 V130	D103-V109 HydrophobicContact CB-CG2 3.62Å; D105-V109 WeakPolarHBondContact O-CG2 3.24Å; D105-V109 PolarHBondContact O-N 2.96Å; L106-V109 PolarHBondContact O-N 3.31Å; V109-A112 PolarHBondContact O-N 3.43Å; V109-K113 HydrophobicContact CG1-CD 4.25Å; V109-K113 WeakPolarHBondContact O-CG 3.5Å; V109-K113 PolarHBondContact O-N 3.31Å; V109-V130 HydrophobicContact CB-CG2 3.8Å; V109-V130 HydrophobicContact CG1-CG2 3.77Å; V109-V130 HydrophobicContact CG2-CG2 3.96Å
110	Q	95.1	Very high	93.5	Very high	43 Å²	43	51 Å²	51	20%	0.201	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-43.6	175.8	-75.8	169.4	-40.3	0	0	111.1	F43 L106 E107 S108 A112 K113 E114	F43-Q110 HydrophobicContact CD1-CB 4.08Å; F43-Q110 HydrophobicContact CE1-CB 3.7Å; F43-Q110 HydrophobicContact CE1-CG 4.2Å; F43-Q110 HydrophobicContact CE2-CB 4.38Å; F43-Q110 HydrophobicContact CZ-CB 3.89Å; F43-Q110 HydrophobicContact CZ-CG 4.01Å; L106-Q110 HydrophobicContact CD1-CG 4.09Å; L106-Q110 WeakPolarHBondContact O-CB 3.28Å; L106-Q110 VanDerWaalsContact O-CG 3.31Å; L106-Q110 WeakPolarHBondContact O-CG 3.39Å; L106-Q110 PolarHBondContact O-N 3.07Å; L106-Q110 PolarHBondContact O-OE1 2.88Å; E107-Q110 PolarHBondContact O-N 2.99Å; S108-Q110 VanDerWaalsContact C-N 3.32Å; S108-Q110 PolarHBondContact O-N 3.42Å; Q110-A112 VanDerWaalsContact C-N 3.33Å; Q110-A112 PolarHBondContact O-N 2.85Å; Q110-K113 PolarHBondContact O-N 2.75Å; Q110-E114 WeakPolarHBondContact O-CG 3.34Å; Q110-E114 PolarHBondContact O-N 3.42Å
111	V	94.6	Very high	93.2	Very high	2 Å²	2	57 Å²	57	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-57	-45.5	172	165.6	0	0	0	0	111.7	L46 W50 E107 S108 K113 E114 H115	L46-V111 HydrophobicContact CB-CG2 3.66Å; W50-V111 HydrophobicContact CB-CG1 3.94Å; W50-V111 HydrophobicContact CG-CG1 4.23Å; E107-V111 WeakPolarHBondContact O-CG2 3.37Å; E107-V111 PolarHBondContact O-N 3.22Å; S108-V111 WeakPolarHBondContact O-CB 3.3Å; S108-V111 PolarHBondContact O-N 3.29Å; V111-K113 VanDerWaalsContact C-N 3.33Å; V111-K113 PolarHBondContact O-N 2.85Å; V111-E114 PolarHBondContact O-N 3.04Å; V111-H115 WeakPolarHBondContact O-CB 3.46Å; V111-H115 PolarHBondContact O-N 3.42Å
112	A	95.9	Very high	93.1	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-43.3	178.1	0	0	0	0	0	111.8	G85 S108 V109 Q110 S116 Y128	G85-A112 VanDerWaalsContact C-CB 3.48Å; G85-A112 WeakPolarHBondContact O-CA 3.46Å; S108-A112 PolarHBondContact O-N 2.9Å; V109-A112 PolarHBondContact O-N 3.43Å; Q110-A112 VanDerWaalsContact C-N 3.33Å; Q110-A112 PolarHBondContact O-N 2.85Å; A112-S116 VanDerWaalsContact O-CB 3.32Å; A112-S116 WeakPolarHBondContact O-CB 3.41Å; A112-S116 PolarHBondContact O-N 3.38Å; A112-S116 PolarHBondContact O-OG 2.69Å; A112-Y128 HydrophobicContact CB-CD1 4.09Å; A112-Y128 HydrophobicContact CB-CD2 3.88Å; A112-Y128 HydrophobicContact CB-CE1 3.99Å; A112-Y128 HydrophobicContact CB-CE2 3.75Å; A112-Y128 HydrophobicContact CB-CG 4.04Å; A112-Y128 WeakPolarHBondContact O-CE2 3.49Å
113	K	95.9	Very high	92.8	Very high	83 Å²	83	60.6 Å²	60.6	36%	0.361	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-51.9	175.3	-73	174.8	179	-179.5	0	111.6	V109 Q110 V111 H115 S116 K117 Y128	V109-K113 HydrophobicContact CG1-CD 4.25Å; V109-K113 WeakPolarHBondContact O-CG 3.5Å; V109-K113 PolarHBondContact O-N 3.31Å; Q110-K113 PolarHBondContact O-N 2.75Å; V111-K113 VanDerWaalsContact C-N 3.33Å; V111-K113 PolarHBondContact O-N 2.85Å; K113-H115 PolarHBondContact O-N 2.9Å; K113-S116 PolarHBondContact O-N 2.63Å; K113-S116 PolarHBondContact O-OG 2.98Å; K113-K117 WeakPolarHBondContact O-CG 3.33Å; K113-K117 PolarHBondContact O-N 3.43Å; K113-Y128 WeakPolarHBondContact CE-O 2.95Å; K113-Y128 HydrophobicContact CG-CD2 4.11Å; K113-Y128 HydrophobicContact CG-CG 4.48Å; K113-Y128 PolarHBondContact NZ-O 3.41Å
114	E	93.8	Very high	92.7	Very high	84 Å²	84	67.8 Å²	67.8	39%	0.393	36%	0.356	S	S	.	.	H	α-helix	trans	-63	-43.5	-178.6	-67.9	-47.3	130.3	0	0	112	Q110 V111 S116 K117	Q110-E114 WeakPolarHBondContact O-CG 3.34Å; Q110-E114 PolarHBondContact O-N 3.42Å; V111-E114 PolarHBondContact O-N 3.04Å; E114-S116 VanDerWaalsContact C-N 3.35Å; E114-S116 PolarHBondContact O-N 3.14Å; E114-K117 WeakPolarHBondContact O-CB 3.43Å; E114-K117 PolarHBondContact O-N 3.17Å; E114-K117 IonicContact OE1-NZ 3.36Å; E114-K117 PolarHBondContact OE1-NZ 2.69Å; E114-K117 IonicContact OE2-NZ 3.67Å; E114-K117 PolarHBondContact OE2-NZ 3.02Å
115	H	94.4	Very high	92.9	Very high	45 Å²	45	68.3 Å²	68.3	21%	0.208	35%	0.346	C	S	.	.	H	α-helix	trans	-63.9	-41.1	177.7	-171.5	-82.2	0	0	0	111.6	W51 E90 V111 K113 K117 L118	W51-H115 AromaticContact CD1-CD2 3.66Å; W51-H115 AromaticContact CD1-CG 3.79Å; W51-H115 HydrophobicContact CD2-CB 4.43Å; W51-H115 AromaticContact CD2-CD2 3.37Å; W51-H115 AromaticContact CD2-CE1 3.56Å; W51-H115 AromaticContact CD2-CG 3.57Å; W51-H115 AromaticContact CD2-ND1 3.67Å; W51-H115 AromaticContact CD2-NE2 3.38Å; W51-H115 AromaticContact CE2-CD2 3.68Å; W51-H115 AromaticContact CE2-CE1 3.78Å; W51-H115 AromaticContact CE2-CG 3.34Å; W51-H115 AromaticContact CE2-ND1 3.41Å; W51-H115 AromaticContact CE2-NE2 3.96Å; W51-H115 AromaticContact CE3-CD2 3.91Å; W51-H115 AromaticContact CE3-CE1 3.36Å; W51-H115 AromaticContact CE3-ND1 3.87Å; W51-H115 AromaticContact CE3-NE2 3.37Å; W51-H115 HydrophobicContact CG-CB 4.48Å; W51-H115 AromaticContact CG-CD2 3.36Å; W51-H115 AromaticContact CG-CG 3.84Å; W51-H115 AromaticContact CG-NE2 3.74Å; W51-H115 AromaticContact CH2-CE1 3.67Å; W51-H115 AromaticContact CH2-ND1 3.61Å; W51-H115 HydrophobicContact CZ2-CB 4.29Å; W51-H115 AromaticContact CZ2-CE1 3.85Å; W51-H115 AromaticContact CZ2-CG 3.78Å; W51-H115 AromaticContact CZ2-ND1 3.38Å; W51-H115 WeakPolarHBondContact CZ2-ND1 3.21Å; W51-H115 AromaticContact CZ3-CE1 3.43Å; W51-H115 VanDerWaalsContact CZ3-CE1 3.43Å; W51-H115 WeakPolarHBondContact CZ3-CE1 3.41Å; W51-H115 AromaticContact CZ3-ND1 3.85Å; W51-H115 AromaticContact CZ3-NE2 3.95Å; W51-H115 AromaticContact NE1-CD2 3.83Å; W51-H115 AromaticContact NE1-CG 3.49Å; E90-H115 IonicContact OE1-CE1 3.35Å; E90-H115 PolarHBondContact OE1-CE1 3Å; E90-H115 IonicContact OE1-ND1 2.99Å; E90-H115 PolarHBondContact OE1-ND1 3.41Å; E90-H115 IonicContact OE2-CE1 3.39Å; E90-H115 IonicContact OE2-CG 3.12Å; E90-H115 IonicContact OE2-ND1 3.72Å; E90-H115 PolarHBondContact OE2-ND1 3.27Å; V111-H115 WeakPolarHBondContact O-CB 3.46Å; V111-H115 PolarHBondContact O-N 3.42Å; K113-H115 PolarHBondContact O-N 2.9Å; H115-K117 PolarHBondContact O-N 2.98Å; H115-L118 VanDerWaalsContact O-CB 3.26Å; H115-L118 WeakPolarHBondContact O-CB 2.84Å; H115-L118 PolarHBondContact O-N 2.55Å
116	S	95.5	Very high	93.4	Very high	21 Å²	21	65.8 Å²	65.8	15%	0.147	33%	0.333	C	S	.	.	H	α-helix	trans	-61.5	-27.9	178.9	71.8	0	0	0	0	113.9	A112 K113 E114 L118 N119	A112-S116 VanDerWaalsContact O-CB 3.32Å; A112-S116 WeakPolarHBondContact O-CB 3.41Å; A112-S116 PolarHBondContact O-N 3.38Å; A112-S116 PolarHBondContact O-OG 2.69Å; K113-S116 PolarHBondContact O-N 2.63Å; K113-S116 PolarHBondContact O-OG 2.98Å; E114-S116 VanDerWaalsContact C-N 3.35Å; E114-S116 PolarHBondContact O-N 3.14Å; S116-L118 PolarHBondContact O-N 2.93Å; S116-N119 PolarHBondContact O-N 3.2Å; S116-N119 VanDerWaalsContact O-N 3.08Å
117	K	94.2	Very high	93.7	Very high	138 Å²	138	64.8 Å²	64.8	60%	0.6	33%	0.326	S	S	*	.	H	α-helix	trans	-65.1	-25.2	174.9	-65.1	174	-168.6	169.2	0	112.7	K113 E114 H115 N119	K113-K117 WeakPolarHBondContact O-CG 3.33Å; K113-K117 PolarHBondContact O-N 3.43Å; E114-K117 WeakPolarHBondContact O-CB 3.43Å; E114-K117 PolarHBondContact O-N 3.17Å; E114-K117 IonicContact OE1-NZ 3.36Å; E114-K117 PolarHBondContact OE1-NZ 2.69Å; E114-K117 IonicContact OE2-NZ 3.67Å; E114-K117 PolarHBondContact OE2-NZ 3.02Å; H115-K117 PolarHBondContact O-N 2.98Å; K117-N119 PolarHBondContact O-N 3.25Å
118	L	91.8	Very high	94.2	Very high	141 Å²	141	63 Å²	63	74%	0.738	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-15	176.2	-52.9	178.5	0	0	0	112.1	H115 S116	H115-L118 VanDerWaalsContact O-CB 3.26Å; H115-L118 WeakPolarHBondContact O-CB 2.84Å; H115-L118 PolarHBondContact O-N 2.55Å; S116-L118 PolarHBondContact O-N 2.93Å
119	N	92.2	Very high	94.6	Very high	29 Å²	29	64.2 Å²	64.2	16%	0.155	33%	0.327	C	S	.	.			trans	-115	90	-176.5	-175.2	-5.5	0	0	0	110.4	E90 T94 S116 K117 K121 V122	E90-N119 PolarHBondContact OE1-ND2 2.92Å; E90-N119 VanDerWaalsContact OE1-ND2 3.15Å; T94-N119 PolarHBondContact OG1-ND2 3.45Å; S116-N119 PolarHBondContact O-N 3.2Å; S116-N119 VanDerWaalsContact O-N 3.08Å; K117-N119 PolarHBondContact O-N 3.25Å; N119-K121 PolarHBondContact O-N 2.85Å; N119-K121 WeakPolarHBondContact OD1-CB 3.34Å; N119-K121 PolarHBondContact OD1-N 3.35Å; N119-V122 HydrophobicContact CB-CG2 4.08Å; N119-V122 VanDerWaalsContact O-CG2 3.29Å; N119-V122 WeakPolarHBondContact O-CG2 3.39Å; N119-V122 PolarHBondContact O-N 3.29Å; N119-V122 VanDerWaalsContact O-N 3.11Å
120	S	92.5	Very high	94.7	Very high	109 Å²	109	67.3 Å²	67.3	76%	0.762	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.4	-178.6	59.8	0	0	0	0	114.4	V122	S120-V122 VanDerWaalsContact C-N 3.28Å; S120-V122 PolarHBondContact O-N 2.96Å
121	K	91.2	Very high	94.6	Very high	153 Å²	153	65.7 Å²	65.7	67%	0.665	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.3	179.7	-59.9	179.5	179	177.2	0	113.5	N119	N119-K121 PolarHBondContact O-N 2.85Å; N119-K121 WeakPolarHBondContact OD1-CB 3.34Å; N119-K121 PolarHBondContact OD1-N 3.35Å
122	V	95.4	Very high	94.5	Very high	1 Å²	1	68.8 Å²	68.8	1%	0.006	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-8.6	-174.5	-55.1	0	0	0	0	113.8	E90 A93 T94 N119 S120 E124 R125 L126	E90-V122 HydrophobicContact CG-CG1 4.24Å; E90-V122 HydrophobicContact CG-CG2 4.34Å; A93-V122 HydrophobicContact CB-CB 3.98Å; A93-V122 HydrophobicContact CB-CG1 3.74Å; T94-V122 WeakPolarHBondContact OG1-CG1 3.43Å; N119-V122 HydrophobicContact CB-CG2 4.08Å; N119-V122 VanDerWaalsContact O-CG2 3.29Å; N119-V122 WeakPolarHBondContact O-CG2 3.39Å; N119-V122 PolarHBondContact O-N 3.29Å; N119-V122 VanDerWaalsContact O-N 3.11Å; S120-V122 VanDerWaalsContact C-N 3.28Å; S120-V122 PolarHBondContact O-N 2.96Å; V122-E124 VanDerWaalsContact C-N 3.28Å; V122-E124 PolarHBondContact O-N 3.48Å; V122-E124 VanDerWaalsContact O-N 3.1Å; V122-R125 PolarHBondContact O-N 3.46Å; V122-L126 HydrophobicContact CB-CB 3.92Å; V122-L126 HydrophobicContact CB-CD2 3.97Å; V122-L126 HydrophobicContact CG2-CB 4.2Å; V122-L126 HydrophobicContact CG2-CD2 3.71Å; V122-L126 WeakPolarHBondContact O-CB 3.33Å; V122-L126 PolarHBondContact O-N 3.35Å
123	A	91.1	Very high	94.4	Very high	76 Å²	76	69.3 Å²	69.3	63%	0.628	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-38.2	-169.6	0	0	0	0	0	114.6
124	E	92.8	Very high	94.4	Very high	174 Å²	174	68 Å²	68	81%	0.813	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-9	-179.3	-63.5	-177.6	171	0	0	114	V122	V122-E124 VanDerWaalsContact C-N 3.28Å; V122-E124 PolarHBondContact O-N 3.48Å; V122-E124 VanDerWaalsContact O-N 3.1Å
125	R	94.9	Very high	94.4	Very high	113 Å²	113	67 Å²	67	43%	0.426	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-15.4	-167.9	-61	-173.6	-163.8	-172.4	9.6	113.7	G96 A97 K98 V99 V122	G96-R125 PolarHBondContact O-NH1 2.97Å; A97-R125 WeakPolarHBondContact O-CB 3.4Å; K98-R125 CarbonylContact C-O 3.47Å; K98-R125 VanDerWaalsContact CA-O 3.31Å; K98-R125 WeakPolarHBondContact CA-O 3.33Å; V99-R125 PolarHBondContact N-O 2.49Å; V122-R125 PolarHBondContact O-N 3.46Å
126	L	97.8	Very high	94.4	Very high	11 Å²	11	65 Å²	65	6%	0.058	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.7	-174.7	-175.7	60.6	0	0	0	110.6	E90 A93 V99 V122 Y128	E90-L126 HydrophobicContact CB-CD2 3.94Å; E90-L126 HydrophobicContact CG-CD2 3.99Å; A93-L126 HydrophobicContact CB-CB 3.88Å; A93-L126 HydrophobicContact CB-CD1 4.15Å; A93-L126 HydrophobicContact CB-CD2 4.18Å; A93-L126 HydrophobicContact CB-CG 4.32Å; V99-L126 HydrophobicContact CB-CD1 3.8Å; V99-L126 HydrophobicContact CG1-CD1 4.17Å; V99-L126 WeakPolarHBondContact O-CA 3.35Å; V122-L126 HydrophobicContact CB-CB 3.92Å; V122-L126 HydrophobicContact CB-CD2 3.97Å; V122-L126 HydrophobicContact CG2-CB 4.2Å; V122-L126 HydrophobicContact CG2-CD2 3.71Å; V122-L126 WeakPolarHBondContact O-CB 3.33Å; V122-L126 PolarHBondContact O-N 3.35Å; L126-Y128 HydrophobicContact CD1-CE1 4.04Å; L126-Y128 HydrophobicContact CD1-CE2 4.07Å; L126-Y128 HydrophobicContact CD2-CE2 3.74Å; L126-Y128 WeakPolarHBondContact CD2-OH 3.33Å; L126-Y128 HydrophobicContact CG-CD2 4.4Å; L126-Y128 HydrophobicContact CG-CE2 3.67Å
127	Q	97.7	Very high	94.2	Very high	72 Å²	72	65 Å²	65	34%	0.336	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.6	175.6	-64.4	-172.3	1.2	0	0	109.6	V99 Y100 G101	V99-Q127 PolarHBondContact O-N 3.02Å; Y100-Q127 WeakPolarHBondContact CA-O 3.48Å; Y100-Q127 HydrophobicContact CD1-CB 3.7Å; Y100-Q127 HydrophobicContact CE1-CB 3.58Å; Y100-Q127 HydrophobicContact CE1-CG 4.1Å; Y100-Q127 HydrophobicContact CG-CB 4.49Å; Y100-Q127 PolarHBondContact OH-OE1 2.83Å; G101-Q127 PolarHBondContact N-O 2.86Å
128	Y	97.9	Very high	94.1	Very high	19 Å²	19	65.9 Å²	65.9	8%	0.075	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.1	179.5	-62.3	-72.4	0	0	0	111.7	C83 G86 S89 G101 A112 K113 L126	C83-Y128 HydrophobicContact CB-CE1 4.41Å; G86-Y128 VanDerWaalsContact CA-OH 3.28Å; G86-Y128 WeakPolarHBondContact CA-OH 3.4Å; G86-Y128 PolarHBondContact O-OH 2.76Å; S89-Y128 WeakPolarHBondContact CB-OH 3.35Å; G101-Y128 CarbonylContact O-C 3.5Å; G101-Y128 VanDerWaalsContact O-CA 3.24Å; G101-Y128 WeakPolarHBondContact O-CA 3.41Å; A112-Y128 HydrophobicContact CB-CD1 4.09Å; A112-Y128 HydrophobicContact CB-CD2 3.88Å; A112-Y128 HydrophobicContact CB-CE1 3.99Å; A112-Y128 HydrophobicContact CB-CE2 3.75Å; A112-Y128 HydrophobicContact CB-CG 4.04Å; A112-Y128 WeakPolarHBondContact O-CE2 3.49Å; K113-Y128 WeakPolarHBondContact CE-O 2.95Å; K113-Y128 HydrophobicContact CG-CD2 4.11Å; K113-Y128 HydrophobicContact CG-CG 4.48Å; K113-Y128 PolarHBondContact NZ-O 3.41Å; L126-Y128 HydrophobicContact CD1-CE1 4.04Å; L126-Y128 HydrophobicContact CD1-CE2 4.07Å; L126-Y128 HydrophobicContact CD2-CE2 3.74Å; L126-Y128 WeakPolarHBondContact CD2-OH 3.33Å; L126-Y128 HydrophobicContact CG-CD2 4.4Å; L126-Y128 HydrophobicContact CG-CE2 3.67Å
129	A	97.1	Very high	94	Very high	33 Å²	33	62.4 Å²	62.4	27%	0.273	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	151.5	175.3	0	0	0	0	0	111.4	G101 A102 D103	G101-A129 PolarHBondContact O-N 3.44Å; A102-A129 VanDerWaalsContact CA-O 3.32Å; A102-A129 WeakPolarHBondContact CA-O 3.38Å; D103-A129 PolarHBondContact N-O 3.49Å
130	V	96	Very high	93.9	Very high	66 Å²	66	62.4 Å²	62.4	40%	0.4	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	111.2	167.4	-176.3	0	0	0	0	107	D103 L106 V109	D103-V130 CarbonylContact O-C 3.55Å; D103-V130 VanDerWaalsContact O-CA 3.26Å; D103-V130 WeakPolarHBondContact O-CA 3.5Å; L106-V130 HydrophobicContact CB-CG2 4.35Å; L106-V130 HydrophobicContact CD1-CG2 3.7Å; V109-V130 HydrophobicContact CB-CG2 3.8Å; V109-V130 HydrophobicContact CG1-CG2 3.77Å; V109-V130 HydrophobicContact CG2-CG2 3.96Å
131	A	94.5	Very high	93.4	Very high	9 Å²	9	63.3 Å²	63.3	7%	0.074	33%	0.328	C	S	.	.			trans	-164.4	142.2	-177.4	0	0	0	0	0	110.7	A102 D103 T135 F136	A102-A131 HydrophobicContact CB-CB 4.29Å; D103-A131 CarbonylContact C-O 3.46Å; D103-A131 PolarHBondContact O-N 3.44Å; A131-T135 HydrophobicContact CB-CG2 4.04Å; A131-F136 HydrophobicContact CB-CB 4.05Å
132	D	92.1	Very high	93.3	Very high	67 Å²	67	61.2 Å²	61.2	36%	0.358	33%	0.327	S	S	.	.			trans	-79.5	179.5	158.9	62.2	6.3	0	0	0	110.6	T104 D134 T135 F136	T104-D132 HydrophobicContact CG2-CB 3.71Å; D132-D134 VanDerWaalsContact C-N 3.26Å; D132-D134 PolarHBondContact O-N 3.02Å; D132-D134 PolarHBondContact OD1-N 3.08Å; D132-T135 PolarHBondContact O-N 3.37Å; D132-T135 WeakPolarHBondContact OD1-CB 3.25Å; D132-T135 PolarHBondContact OD1-N 2.93Å; D132-T135 PolarHBondContact OD1-OG1 2.79Å; D132-F136 WeakPolarHBondContact O-CB 3.46Å; D132-F136 PolarHBondContact O-N 3.23Å
133	I	94.5	Very high	93.2	Very high	12 Å²	12	62.7 Å²	62.7	6%	0.062	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-34.8	-178.9	-169.6	61.6	0	0	0	112.6	V81 S137 F148 F163 K166 L170	V81-I133 HydrophobicContact CG1-CD1 4.45Å; V81-I133 HydrophobicContact CG2-CD1 3.95Å; I133-S137 WeakPolarHBondContact O-CB 3.2Å; I133-S137 PolarHBondContact O-N 2.92Å; I133-S137 PolarHBondContact O-OG 3.03Å; I133-F148 HydrophobicContact CD1-CE2 3.89Å; I133-F148 HydrophobicContact CD1-CZ 3.98Å; I133-F163 HydrophobicContact CB-CD2 3.69Å; I133-F163 HydrophobicContact CB-CE2 3.88Å; I133-F163 HydrophobicContact CD1-CE2 4.41Å; I133-F163 HydrophobicContact CG1-CD2 4.01Å; I133-F163 HydrophobicContact CG1-CE2 4.22Å; I133-F163 HydrophobicContact CG2-CD2 3.69Å; I133-F163 HydrophobicContact CG2-CE2 4.36Å; I133-F163 HydrophobicContact CG2-CG 4.46Å; I133-K166 HydrophobicContact CD1-CB 4.19Å; I133-K166 HydrophobicContact CG1-CB 3.47Å; I133-K166 VanDerWaalsContact CG1-CB 3.47Å; I133-K166 HydrophobicContact CG1-CG 4.36Å; I133-L170 HydrophobicContact CD1-CD1 4.09Å
134	D	94.6	Very high	93.3	Very high	55 Å²	55	61.2 Å²	61.2	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-68.6	-52.9	-179.9	-78.6	-58.7	0	0	0	111	D132 F136 S137 Q138 H162	D132-D134 VanDerWaalsContact C-N 3.26Å; D132-D134 PolarHBondContact O-N 3.02Å; D132-D134 PolarHBondContact OD1-N 3.08Å; D134-F136 VanDerWaalsContact C-N 3.33Å; D134-F136 PolarHBondContact O-N 3.08Å; D134-S137 PolarHBondContact O-N 2.77Å; D134-S137 PolarHBondContact O-OG 3.14Å; D134-Q138 WeakPolarHBondContact O-CG 3.21Å; D134-Q138 PolarHBondContact O-N 2.9Å; D134-Q138 VanDerWaalsContact O-N 3.15Å; D134-H162 VanDerWaalsContact CG-NE2 3.29Å; D134-H162 IonicContact OD1-CD2 3.29Å; D134-H162 IonicContact OD1-CE1 3.81Å; D134-H162 PolarHBondContact OD1-CE1 2.79Å; D134-H162 IonicContact OD1-NE2 3.46Å; D134-H162 PolarHBondContact OD1-NE2 3.33Å; D134-H162 IonicContact OD2-CD2 3.88Å; D134-H162 IonicContact OD2-NE2 2.71Å; D134-H162 PolarHBondContact OD2-NE2 3.28Å; D134-H162 VanDerWaalsContact OD2-NE2 3.12Å
135	T	94.5	Very high	93.5	Very high	64 Å²	64	52.9 Å²	52.9	39%	0.393	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-43.4	177.3	-53.2	0	0	0	0	110.8	A131 D132 S137 Q138 V139	A131-T135 HydrophobicContact CB-CG2 4.04Å; D132-T135 PolarHBondContact O-N 3.37Å; D132-T135 WeakPolarHBondContact OD1-CB 3.25Å; D132-T135 PolarHBondContact OD1-N 2.93Å; D132-T135 PolarHBondContact OD1-OG1 2.79Å; T135-S137 VanDerWaalsContact C-N 3.33Å; T135-S137 PolarHBondContact O-N 2.91Å; T135-Q138 PolarHBondContact O-N 3.03Å; T135-V139 WeakPolarHBondContact O-CG2 3.33Å; T135-V139 PolarHBondContact O-N 3.44Å
136	F	93.5	Very high	93.6	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.013	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-44.4	176.9	-172.1	-99	0	0	0	111	A79 V81 A102 A131 D132 D134 Q138 V139 F140 F145 L170	A79-F136 HydrophobicContact CB-CE1 3.76Å; A79-F136 HydrophobicContact CB-CZ 3.85Å; V81-F136 HydrophobicContact CG2-CD1 3.94Å; V81-F136 HydrophobicContact CG2-CE1 4.18Å; V81-F136 HydrophobicContact CG2-CG 4.25Å; A102-F136 HydrophobicContact CB-CD2 3.34Å; A102-F136 HydrophobicContact CB-CE2 3.66Å; A102-F136 HydrophobicContact CB-CG 4.11Å; A131-F136 HydrophobicContact CB-CB 4.05Å; D132-F136 WeakPolarHBondContact O-CB 3.46Å; D132-F136 PolarHBondContact O-N 3.23Å; D134-F136 VanDerWaalsContact C-N 3.33Å; D134-F136 PolarHBondContact O-N 3.08Å; F136-Q138 PolarHBondContact O-N 3.4Å; F136-V139 PolarHBondContact O-N 3.25Å; F136-F140 HydrophobicContact CD1-CD2 4.12Å; F136-F140 HydrophobicContact CD1-CE2 4.41Å; F136-F140 HydrophobicContact CD2-CD2 4.21Å; F136-F140 AromaticContact CD2-CE2 3.76Å; F136-F140 HydrophobicContact CD2-CE2 3.76Å; F136-F140 AromaticContact CE1-CD2 3.85Å; F136-F140 HydrophobicContact CE1-CD2 3.85Å; F136-F140 HydrophobicContact CE1-CE2 4.02Å; F136-F140 HydrophobicContact CE2-CD2 4Å; F136-F140 AromaticContact CE2-CE2 3.35Å; F136-F140 HydrophobicContact CE2-CE2 3.35Å; F136-F140 HydrophobicContact CE2-CZ 4.24Å; F136-F140 HydrophobicContact CG-CD2 4.3Å; F136-F140 HydrophobicContact CG-CE2 4.3Å; F136-F140 AromaticContact CZ-CD2 3.8Å; F136-F140 HydrophobicContact CZ-CD2 3.8Å; F136-F140 AromaticContact CZ-CE2 3.48Å; F136-F140 HydrophobicContact CZ-CE2 3.48Å; F136-F140 VanDerWaalsContact CZ-CE2 3.48Å; F136-F140 HydrophobicContact CZ-CZ 4.35Å; F136-F140 WeakPolarHBondContact O-CD2 3.49Å; F136-F145 HydrophobicContact CE1-CE2 4.2Å; F136-F145 HydrophobicContact CE1-CZ 4.31Å; F136-F145 HydrophobicContact CZ-CE2 4.45Å; F136-F145 HydrophobicContact CZ-CZ 4.09Å; F136-L170 HydrophobicContact CD1-CD1 3.7Å; F136-L170 HydrophobicContact CE1-CD1 3.92Å
137	S	92.1	Very high	93.6	Very high	20 Å²	20	48.6 Å²	48.6	14%	0.14	27%	0.266	C	S	.	.	H	α-helix	trans	-66.7	-22.3	179.8	74.9	0	0	0	0	114.7	I133 D134 T135 F140	I133-S137 WeakPolarHBondContact O-CB 3.2Å; I133-S137 PolarHBondContact O-N 2.92Å; I133-S137 PolarHBondContact O-OG 3.03Å; D134-S137 PolarHBondContact O-N 2.77Å; D134-S137 PolarHBondContact O-OG 3.14Å; T135-S137 VanDerWaalsContact C-N 3.33Å; T135-S137 PolarHBondContact O-N 2.91Å; S137-F140 VanDerWaalsContact O-O 3.11Å
138	Q	92.1	Very high	93.6	Very high	156 Å²	156	45.1 Å²	45.1	73%	0.729	25%	0.25	S	S	*	.	H	α-helix	trans	-80	-23.6	176.1	-69.5	170.9	17.5	0	0	113	D134 T135 F136	D134-Q138 WeakPolarHBondContact O-CG 3.21Å; D134-Q138 PolarHBondContact O-N 2.9Å; D134-Q138 VanDerWaalsContact O-N 3.15Å; T135-Q138 PolarHBondContact O-N 3.03Å; F136-Q138 PolarHBondContact O-N 3.4Å
139	V	89.6	Confident	93.6	Very high	69 Å²	69	44.3 Å²	44.3	42%	0.418	25%	0.247	S	C	.	.	H	α-helix	trans	-79.6	-31.3	-179.2	173	0	0	0	0	111.7	F23 T135 F136	F23-V139 HydrophobicContact CE2-CG1 3.82Å; F23-V139 HydrophobicContact CE2-CG2 3.98Å; F23-V139 HydrophobicContact CZ-CG1 4.39Å; F23-V139 HydrophobicContact CZ-CG2 3.7Å; T135-V139 WeakPolarHBondContact O-CG2 3.33Å; T135-V139 PolarHBondContact O-N 3.44Å; F136-V139 PolarHBondContact O-N 3.25Å
140	F	89.2	Confident	93.6	Very high	29 Å²	29	42.9 Å²	42.9	13%	0.127	24%	0.235	C	C	.	.	S	Bend	trans	-106.2	154.7	-176.2	-64.3	-72.5	0	0	0	111.8	Y100 F136 S137 F145 L170	Y100-F140 HydrophobicContact CD1-CE1 4.06Å; Y100-F140 HydrophobicContact CD1-CE2 4.48Å; Y100-F140 AromaticContact CD1-CZ 3.46Å; Y100-F140 HydrophobicContact CD1-CZ 3.46Å; Y100-F140 VanDerWaalsContact CD1-CZ 3.46Å; Y100-F140 HydrophobicContact CD2-CE1 4.28Å; Y100-F140 HydrophobicContact CD2-CZ 4.29Å; Y100-F140 HydrophobicContact CE1-CE1 4.03Å; Y100-F140 AromaticContact CE1-CZ 3.78Å; Y100-F140 HydrophobicContact CE1-CZ 3.78Å; Y100-F140 HydrophobicContact CE2-CE1 4.29Å; Y100-F140 HydrophobicContact CG-CE1 4.17Å; Y100-F140 AromaticContact CG-CZ 3.73Å; Y100-F140 HydrophobicContact CG-CZ 3.73Å; F136-F140 HydrophobicContact CD1-CD2 4.12Å; F136-F140 HydrophobicContact CD1-CE2 4.41Å; F136-F140 HydrophobicContact CD2-CD2 4.21Å; F136-F140 AromaticContact CD2-CE2 3.76Å; F136-F140 HydrophobicContact CD2-CE2 3.76Å; F136-F140 AromaticContact CE1-CD2 3.85Å; F136-F140 HydrophobicContact CE1-CD2 3.85Å; F136-F140 HydrophobicContact CE1-CE2 4.02Å; F136-F140 HydrophobicContact CE2-CD2 4Å; F136-F140 AromaticContact CE2-CE2 3.35Å; F136-F140 HydrophobicContact CE2-CE2 3.35Å; F136-F140 HydrophobicContact CE2-CZ 4.24Å; F136-F140 HydrophobicContact CG-CD2 4.3Å; F136-F140 HydrophobicContact CG-CE2 4.3Å; F136-F140 AromaticContact CZ-CD2 3.8Å; F136-F140 HydrophobicContact CZ-CD2 3.8Å; F136-F140 AromaticContact CZ-CE2 3.48Å; F136-F140 HydrophobicContact CZ-CE2 3.48Å; F136-F140 VanDerWaalsContact CZ-CE2 3.48Å; F136-F140 HydrophobicContact CZ-CZ 4.35Å; F136-F140 WeakPolarHBondContact O-CD2 3.49Å; S137-F140 VanDerWaalsContact O-O 3.11Å; F140-F145 HydrophobicContact CB-CE2 3.93Å; F140-F145 HydrophobicContact CB-CZ 4.45Å; F140-F145 HydrophobicContact CD1-CE2 4.04Å; F140-F145 AromaticContact CD1-CZ 3.72Å; F140-F145 HydrophobicContact CD1-CZ 3.72Å; F140-F145 HydrophobicContact CD2-CE2 4.04Å; F140-F145 AromaticContact CD2-CZ 3.96Å; F140-F145 HydrophobicContact CD2-CZ 3.96Å; F140-F145 AromaticContact CE1-CZ 3.89Å; F140-F145 HydrophobicContact CE1-CZ 3.89Å; F140-F145 HydrophobicContact CE2-CZ 4.16Å; F140-F145 AromaticContact CG-CE2 3.71Å; F140-F145 HydrophobicContact CG-CE2 3.71Å; F140-F145 AromaticContact CG-CZ 3.75Å; F140-F145 HydrophobicContact CG-CZ 3.75Å; F140-F145 HydrophobicContact CZ-CZ 4.12Å; F140-L170 HydrophobicContact CB-CD2 3.92Å
141	E	83.9	Confident	93.5	Very high	128 Å²	128	40.2 Å²	40.2	60%	0.598	22%	0.22	S	C	*	.			trans	-74.4	154.1	172.5	-65.3	-178.8	172.2	0	0	110.4	Q144	E141-Q144 WeakPolarHBondContact O-CB 3.36Å
142	V	87.4	Confident	93.3	Very high	108 Å²	108	41.4 Å²	41.4	66%	0.655	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	140.7	169.2	175	0	0	0	0	109	Q144 E169	V142-Q144 PolarHBondContact O-N 3.13Å; V142-E169 WeakPolarHBondContact CG1-O 3.32Å
143	A	93.2	Very high	93.1	Very high	32 Å²	32	39 Å²	39	26%	0.264	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	43.6	177.3	0	0	0	0	0	114.4	E169 V171 K172	A143-E169 PolarHBondContact N-O 3.25Å; A143-V171 WeakPolarHBondContact CA-O 3.5Å; A143-K172 WeakPolarHBondContact O-CG 3.36Å
144	Q	94	Very high	92.8	Very high	45 Å²	45	38.6 Å²	38.6	21%	0.21	21%	0.209	C	C	.	.			trans	-93.5	-33.4	-178.5	179.8	167.6	-19.5	0	0	113.9	F77 E141 V142 L170 K172	F77-Q144 WeakPolarHBondContact CD1-O 3.32Å; F77-Q144 HydrophobicContact CE1-CG 3.87Å; E141-Q144 WeakPolarHBondContact O-CB 3.36Å; V142-Q144 PolarHBondContact O-N 3.13Å; Q144-L170 PolarHBondContact N-O 3.41Å; Q144-K172 WeakPolarHBondContact O-CE 3.3Å
145	F	97.2	Very high	92.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	148.5	-171.9	-63.2	-85.1	0	0	0	112.8	F77 A79 Y100 F136 F140 A147 L170 K172	F77-F145 HydrophobicContact CD1-CD1 4.04Å; F77-F145 HydrophobicContact CD2-CD1 4.14Å; F77-F145 HydrophobicContact CD2-CE1 4.31Å; F77-F145 AromaticContact CE1-CD1 3.93Å; F77-F145 HydrophobicContact CE1-CD1 3.93Å; F77-F145 AromaticContact CE1-CE1 4Å; F77-F145 HydrophobicContact CE1-CE1 4Å; F77-F145 HydrophobicContact CE2-CD1 4.06Å; F77-F145 AromaticContact CE2-CE1 3.78Å; F77-F145 HydrophobicContact CE2-CE1 3.78Å; F77-F145 HydrophobicContact CG-CD1 4.14Å; F77-F145 AromaticContact CZ-CD1 3.93Å; F77-F145 HydrophobicContact CZ-CD1 3.93Å; F77-F145 AromaticContact CZ-CE1 3.58Å; F77-F145 HydrophobicContact CZ-CE1 3.58Å; F77-F145 HydrophobicContact CZ-CZ 4.38Å; A79-F145 HydrophobicContact CB-CB 4.42Å; A79-F145 HydrophobicContact CB-CD1 3.7Å; A79-F145 HydrophobicContact CB-CD2 3.84Å; A79-F145 HydrophobicContact CB-CE1 3.79Å; A79-F145 HydrophobicContact CB-CE2 3.94Å; A79-F145 HydrophobicContact CB-CG 3.71Å; A79-F145 HydrophobicContact CB-CZ 3.9Å; Y100-F145 AromaticContact CD2-CE1 3.93Å; Y100-F145 HydrophobicContact CD2-CE1 3.93Å; Y100-F145 HydrophobicContact CD2-CZ 4.39Å; Y100-F145 HydrophobicContact CG-CE1 4.39Å; F136-F145 HydrophobicContact CE1-CE2 4.2Å; F136-F145 HydrophobicContact CE1-CZ 4.31Å; F136-F145 HydrophobicContact CZ-CE2 4.45Å; F136-F145 HydrophobicContact CZ-CZ 4.09Å; F140-F145 HydrophobicContact CB-CE2 3.93Å; F140-F145 HydrophobicContact CB-CZ 4.45Å; F140-F145 HydrophobicContact CD1-CE2 4.04Å; F140-F145 AromaticContact CD1-CZ 3.72Å; F140-F145 HydrophobicContact CD1-CZ 3.72Å; F140-F145 HydrophobicContact CD2-CE2 4.04Å; F140-F145 AromaticContact CD2-CZ 3.96Å; F140-F145 HydrophobicContact CD2-CZ 3.96Å; F140-F145 AromaticContact CE1-CZ 3.89Å; F140-F145 HydrophobicContact CE1-CZ 3.89Å; F140-F145 HydrophobicContact CE2-CZ 4.16Å; F140-F145 AromaticContact CG-CE2 3.71Å; F140-F145 HydrophobicContact CG-CE2 3.71Å; F140-F145 AromaticContact CG-CZ 3.75Å; F140-F145 HydrophobicContact CG-CZ 3.75Å; F140-F145 HydrophobicContact CZ-CZ 4.12Å; F145-A147 WeakPolarHBondContact CB-O 3.27Å; F145-L170 HydrophobicContact CD2-CB 4.11Å; F145-L170 HydrophobicContact CD2-CD2 4.32Å; F145-L170 HydrophobicContact CE2-CD2 4.07Å; F145-L170 PolarHBondContact N-O 2.86Å; F145-K172 WeakPolarHBondContact O-CG 3.33Å; F145-K172 PolarHBondContact O-N 2.87Å
146	D	96.9	Very high	91.3	Very high	33 Å²	33	39.1 Å²	39.1	18%	0.176	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-29.9	172.1	-53.9	-36.7	0	0	0	110.7	V75 S76 F77 K172 G175 L176	V75-D146 HydrophobicContact CB-CB 4.24Å; V75-D146 HydrophobicContact CG1-CB 3.96Å; S76-D146 PolarHBondContact OG-OD2 3.1Å; F77-D146 HydrophobicContact CB-CB 4.5Å; F77-D146 VanDerWaalsContact CB-OD2 3.28Å; F77-D146 WeakPolarHBondContact CB-OD2 3.28Å; F77-D146 PolarHBondContact N-OD2 2.95Å; F77-D146 WeakPolarHBondContact O-CA 3.37Å; F77-D146 WeakPolarHBondContact O-CB 3.42Å; F77-D146 PolarHBondContact O-N 3Å; D146-K172 IonicContact OD1-NZ 2.73Å; D146-K172 PolarHBondContact OD1-NZ 3.49Å; D146-G175 CarbonylContact O-C 3.59Å; D146-G175 WeakPolarHBondContact O-CA 3.38Å; D146-L176 PolarHBondContact O-N 3.17Å
147	A	97.7	Very high	90.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.2	169	0	0	0	0	0	114.2	V75 F77 I78 A79 F145 L176 F178	V75-A147 HydrophobicContact CB-CB 3.92Å; V75-A147 HydrophobicContact CG1-CB 3.43Å; V75-A147 VanDerWaalsContact CG1-CB 3.43Å; V75-A147 HydrophobicContact CG2-CB 3.76Å; F77-A147 PolarHBondContact O-N 3.29Å; F77-A147 VanDerWaalsContact O-N 3.09Å; I78-A147 WeakPolarHBondContact CA-O 3.42Å; A79-A147 PolarHBondContact N-O 3.03Å; F145-A147 WeakPolarHBondContact CB-O 3.27Å; A147-L176 CarbonylContact C-O 3.46Å; A147-L176 WeakPolarHBondContact CA-O 3.28Å; A147-L176 HydrophobicContact CB-CB 4.32Å; A147-L176 WeakPolarHBondContact CB-O 3.45Å; A147-F178 HydrophobicContact CB-CD2 4.24Å; A147-F178 HydrophobicContact CB-CE2 3.98Å
148	F	97.8	Very high	90.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.1	165.3	-177.4	-85.5	0	0	0	110.4	A79 V81 I133 A150 F163 L170 V171 L176 L177 F178 Y179	A79-F148 HydrophobicContact CB-CD2 3.97Å; A79-F148 CarbonylContact O-C 3.55Å; A79-F148 WeakPolarHBondContact O-CA 3.09Å; V81-F148 HydrophobicContact CB-CE2 4.06Å; V81-F148 HydrophobicContact CB-CZ 3.76Å; V81-F148 HydrophobicContact CG2-CE2 3.5Å; V81-F148 VanDerWaalsContact CG2-CE2 3.5Å; V81-F148 HydrophobicContact CG2-CZ 3.73Å; I133-F148 HydrophobicContact CD1-CE2 3.89Å; I133-F148 HydrophobicContact CD1-CZ 3.98Å; F148-A150 HydrophobicContact CE1-CB 3.71Å; F148-A150 HydrophobicContact CZ-CB 4.43Å; F148-F163 HydrophobicContact CE1-CE1 4.13Å; F148-F163 HydrophobicContact CE1-CZ 4.35Å; F148-F163 HydrophobicContact CZ-CE1 4.17Å; F148-F163 HydrophobicContact CZ-CZ 4.04Å; F148-L170 HydrophobicContact CD2-CD1 4.29Å; F148-L170 HydrophobicContact CE2-CD1 4.16Å; F148-V171 HydrophobicContact CB-CG2 3.4Å; F148-V171 VanDerWaalsContact CB-CG2 3.4Å; F148-L176 PolarHBondContact N-O 3.36Å; F148-L177 HydrophobicContact CB-CD2 4.48Å; F148-L177 HydrophobicContact CB-CG 4.45Å; F148-L177 WeakPolarHBondContact O-CA 3.42Å; F148-F178 PolarHBondContact O-N 3.5Å; F148-Y179 HydrophobicContact CE1-CE1 4.36Å
149	V	97.9	Very high	90.3	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.6	178.1	-177	0	0	0	0	109.3	I71 I78 A79 E80 V81 L88 F178	I71-V149 HydrophobicContact CD1-CG1 3.93Å; I71-V149 HydrophobicContact CD1-CG2 4.11Å; I71-V149 HydrophobicContact CG2-CG2 4.16Å; I78-V149 HydrophobicContact CG2-CB 4.49Å; I78-V149 HydrophobicContact CG2-CG2 3.66Å; A79-V149 PolarHBondContact O-N 3.36Å; E80-V149 WeakPolarHBondContact CA-O 3.38Å; E80-V149 HydrophobicContact CB-CB 4.37Å; E80-V149 HydrophobicContact CG-CB 4.28Å; E80-V149 HydrophobicContact CG-CG1 4.37Å; V81-V149 PolarHBondContact N-O 2.73Å; V81-V149 VanDerWaalsContact N-O 3.08Å; L88-V149 HydrophobicContact CD2-CG1 3.85Å; V149-F178 WeakPolarHBondContact CA-O 2.88Å; V149-F178 HydrophobicContact CG1-CB 4.48Å; V149-F178 HydrophobicContact CG2-CB 4.22Å; V149-F178 HydrophobicContact CG2-CD2 4.13Å
150	A	96.6	Very high	90.4	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.017	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	110.6	166.3	0	0	0	0	0	109.1	F148 V153 F163 F178 Y179 T180	F148-A150 HydrophobicContact CE1-CB 3.71Å; F148-A150 HydrophobicContact CZ-CB 4.43Å; A150-V153 HydrophobicContact CB-CB 4.19Å; A150-V153 HydrophobicContact CB-CG2 4.42Å; A150-F163 HydrophobicContact CB-CE1 3.93Å; A150-F163 HydrophobicContact CB-CZ 3.99Å; A150-F178 PolarHBondContact N-O 3.33Å; A150-Y179 HydrophobicContact CB-CD1 3.92Å; A150-Y179 HydrophobicContact CB-CE1 4.1Å; A150-Y179 VanDerWaalsContact O-CA 3.27Å; A150-Y179 WeakPolarHBondContact O-CA 3.43Å; A150-T180 PolarHBondContact O-N 2.9Å; A150-T180 VanDerWaalsContact O-N 3.14Å
151	S	94.4	Very high	90.7	Very high	11 Å²	11	40.7 Å²	40.7	8%	0.077	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	110.7	-170.6	-170.4	0	0	0	0	111.1	R67 T180	R67-S151 WeakPolarHBondContact CD-OG 3.4Å; R67-S151 PolarHBondContact NH1-OG 2.8Å; S151-T180 VanDerWaalsContact CA-OG1 3.27Å; S151-T180 WeakPolarHBondContact CA-OG1 3.4Å; S151-T180 WeakPolarHBondContact CB-OG1 3.13Å; S151-T180 PolarHBondContact OG-OG1 3.22Å
152	E	89.9	Confident	91.3	Very high	33 Å²	33	37 Å²	37	15%	0.154	21%	0.214	C	C	.	.	S	Bend	trans	60.2	44.8	-170.6	-46	-49.3	116.8	0	0	112.9	L60 E155 H156 T180 T181	L60-E152 HydrophobicContact CD2-CG 4.35Å; E152-E155 VanDerWaalsContact C-CD 3.41Å; E152-E155 VanDerWaalsContact C-OE1 3.25Å; E152-E155 WeakPolarHBondContact CA-OE1 3.27Å; E152-E155 WeakPolarHBondContact CB-OE1 3.4Å; E152-H156 PolarHBondContact O-CD2 3.28Å; E152-T180 PolarHBondContact N-O 3.43Å; E152-T180 PolarHBondContact N-OG1 3.02Å; E152-T180 WeakPolarHBondContact OE1-CB 3.46Å; E152-T180 PolarHBondContact OE1-OG1 3.44Å; E152-T181 PolarHBondContact OE1-N 3.35Å
153	V	87.7	Confident	91.7	Very high	17 Å²	17	32.2 Å²	32.2	10%	0.103	18%	0.184	C	C	.	.			trans	-118.1	-36.4	-175.1	178.9	0	0	0	0	112.1	V81 A150 E155 H156 V157 F163	V81-V153 WeakPolarHBondContact O-CG2 3.3Å; A150-V153 HydrophobicContact CB-CB 4.19Å; A150-V153 HydrophobicContact CB-CG2 4.42Å; V153-E155 PolarHBondContact N-OE2 3.24Å; V153-E155 PolarHBondContact O-N 3.44Å; V153-H156 WeakPolarHBondContact O-CB 3.42Å; V153-H156 PolarHBondContact O-N 2.86Å; V153-V157 HydrophobicContact CG1-CG2 4.21Å; V153-V157 WeakPolarHBondContact O-CG2 3.41Å; V153-V157 PolarHBondContact O-N 3.15Å; V153-F163 HydrophobicContact CG1-CE2 4.16Å; V153-F163 HydrophobicContact CG1-CZ 3.93Å
154	L	88.1	Confident	91.9	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-65.9	-27.2	-168.7	-165.9	65.4	0	0	0	112.8	H156 V157 R160 F163 T214 L219	L154-H156 PolarHBondContact O-N 3.44Å; L154-V157 PolarHBondContact O-N 3.2Å; L154-R160 HydrophobicContact CD1-CB 3.99Å; L154-R160 HydrophobicContact CD1-CG 3.89Å; L154-R160 HydrophobicContact CG-CG 4.14Å; L154-R160 PolarHBondContact O-NE 3.18Å; L154-F163 HydrophobicContact CD1-CD1 4.14Å; L154-T214 HydrophobicContact CD2-CG2 3.93Å; L154-L219 HydrophobicContact CD2-CD1 3.85Å; L154-L219 HydrophobicContact CD2-CD2 4.05Å; L154-L219 HydrophobicContact CD2-CG 4.37Å
155	E	80.1	Confident	92.1	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.028	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-67.9	-17.6	172.4	60.2	-94.6	-135.4	0	0	113.6	E152 V153 T181 M182 K212 F213	E152-E155 VanDerWaalsContact C-CD 3.41Å; E152-E155 VanDerWaalsContact C-OE1 3.25Å; E152-E155 WeakPolarHBondContact CA-OE1 3.27Å; E152-E155 WeakPolarHBondContact CB-OE1 3.4Å; V153-E155 PolarHBondContact N-OE2 3.24Å; V153-E155 PolarHBondContact O-N 3.44Å; E155-T181 PolarHBondContact OE2-OG1 2.9Å; E155-M182 HydrophobicContact CB-CE 4.21Å; E155-M182 HydrophobicContact CG-CE 3.73Å; E155-M182 WeakPolarHBondContact OE1-CE 3.42Å; E155-K212 WeakPolarHBondContact CA-O 3.43Å; E155-K212 WeakPolarHBondContact O-CB 3.33Å; E155-K212 VanDerWaalsContact O-CD 3.32Å; E155-K212 WeakPolarHBondContact O-CD 3.44Å; E155-F213 HydrophobicContact CB-CD1 4.25Å
156	H	77.7	Confident	92.1	Very high	125 Å²	125	33.7 Å²	33.7	58%	0.579	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-100	-8.9	177.1	-58.6	-61.6	0	0	0	112.6	E152 V153 L154	E152-H156 PolarHBondContact O-CD2 3.28Å; V153-H156 WeakPolarHBondContact O-CB 3.42Å; V153-H156 PolarHBondContact O-N 2.86Å; L154-H156 PolarHBondContact O-N 3.44Å
157	V	83	Confident	92.2	Very high	25 Å²	25	32.1 Å²	32.1	15%	0.152	18%	0.176	C	C	.	.			trans	-84.7	126.1	-178.2	173.8	0	0	0	0	110.8	V153 L154 N159 R160 F163	V153-V157 HydrophobicContact CG1-CG2 4.21Å; V153-V157 WeakPolarHBondContact O-CG2 3.41Å; V153-V157 PolarHBondContact O-N 3.15Å; L154-V157 PolarHBondContact O-N 3.2Å; V157-N159 WeakPolarHBondContact CG1-O 3.42Å; V157-R160 HydrophobicContact CB-CG 4.38Å; V157-R160 HydrophobicContact CG1-CG 4.28Å; V157-F163 HydrophobicContact CG1-CB 3.56Å; V157-F163 HydrophobicContact CG1-CD2 4.1Å; V157-F163 HydrophobicContact CG1-CG 4Å; V157-F163 HydrophobicContact CG2-CB 4.42Å; V157-F163 HydrophobicContact CG2-CD2 3.55Å; V157-F163 HydrophobicContact CG2-CE2 3.87Å; V157-F163 HydrophobicContact CG2-CG 3.92Å; V157-F163 HydrophobicContact CG2-CZ 4.48Å
158	G	82.7	Confident	92.2	Very high	82 Å²	82	32.5 Å²	32.5	85%	0.845	18%	0.179	S	C	*	.	S	Bend	trans	-68.3	-54.1	175.9	0	0	0	0	0	113.2
159	N	90.8	Very high	92.2	Very high	99 Å²	99	35.1 Å²	35.1	53%	0.529	19%	0.191	S	C	.	.			trans	-105.2	89.8	176.9	-172.3	-15.8	0	0	0	110.8	V157 E161 H162 F163	V157-N159 WeakPolarHBondContact CG1-O 3.42Å; N159-E161 PolarHBondContact OD1-N 3.42Å; N159-H162 HydrophobicContact CB-CB 4.02Å; N159-H162 WeakPolarHBondContact ND2-CB 3.44Å; N159-H162 PolarHBondContact O-N 3.37Å; N159-H162 WeakPolarHBondContact OD1-CB 3.46Å; N159-H162 PolarHBondContact OD1-N 3.11Å; N159-H162 VanDerWaalsContact OD1-N 3.1Å; N159-F163 PolarHBondContact O-N 2.91Å
160	R	92.4	Very high	92.2	Very high	55 Å²	55	35.1 Å²	35.1	21%	0.208	19%	0.191	C	C	.	.	H	α-helix	trans	-65.9	-38.6	-176.3	-63.3	179.1	-169.4	118.2	22.9	112.9	L154 V157 H162 F163 V164 K212 T214 M222	L154-R160 HydrophobicContact CD1-CB 3.99Å; L154-R160 HydrophobicContact CD1-CG 3.89Å; L154-R160 HydrophobicContact CG-CG 4.14Å; L154-R160 PolarHBondContact O-NE 3.18Å; V157-R160 HydrophobicContact CB-CG 4.38Å; V157-R160 HydrophobicContact CG1-CG 4.28Å; R160-H162 VanDerWaalsContact C-N 3.34Å; R160-H162 PolarHBondContact O-N 2.93Å; R160-F163 PolarHBondContact O-N 3.1Å; R160-V164 WeakPolarHBondContact O-CB 3.1Å; R160-V164 WeakPolarHBondContact O-CG2 3.43Å; R160-V164 PolarHBondContact O-N 2.94Å; R160-K212 PolarHBondContact NH2-O 3.39Å; R160-T214 WeakPolarHBondContact CD-OG1 3.36Å; R160-T214 PolarHBondContact NE-OG1 3.43Å; R160-M222 HydrophobicContact CB-CE 4.15Å; R160-M222 HydrophobicContact CB-SD 3.98Å
161	E	95.2	Very high	92.2	Very high	49 Å²	49	35 Å²	35	23%	0.229	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-49	177	-169.3	78	-140.5	0	0	110.7	N159 V164 Q165 M222 R225 H226	N159-E161 PolarHBondContact OD1-N 3.42Å; E161-V164 PolarHBondContact O-N 3.07Å; E161-Q165 WeakPolarHBondContact O-CB 3.46Å; E161-Q165 PolarHBondContact O-N 2.75Å; E161-M222 WeakPolarHBondContact OE2-CG 3.35Å; E161-R225 VanDerWaalsContact CD-NH2 3.34Å; E161-R225 IonicContact OE1-CZ 2.62Å; E161-R225 IonicContact OE1-NE 3.38Å; E161-R225 IonicContact OE1-NH1 3.69Å; E161-R225 PolarHBondContact OE1-NH1 3.39Å; E161-R225 IonicContact OE1-NH2 2.85Å; E161-R225 PolarHBondContact OE1-NH2 3.24Å; E161-R225 IonicContact OE2-CZ 2.8Å; E161-R225 IonicContact OE2-NH1 3.17Å; E161-R225 PolarHBondContact OE2-NH1 3.33Å; E161-R225 IonicContact OE2-NH2 3.78Å; E161-R225 PolarHBondContact OE2-NH2 3.47Å; E161-H226 IonicContact OE1-CE1 3.52Å; E161-H226 PolarHBondContact OE1-CE1 3.12Å; E161-H226 IonicContact OE1-ND1 2.72Å
162	H	96.1	Very high	92.3	Very high	51 Å²	51	38.1 Å²	38.1	24%	0.236	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-41.9	179	179.4	68.5	0	0	0	112.3	D134 N159 R160 V164 Q165 K166	D134-H162 VanDerWaalsContact CG-NE2 3.29Å; D134-H162 IonicContact OD1-CD2 3.29Å; D134-H162 IonicContact OD1-CE1 3.81Å; D134-H162 PolarHBondContact OD1-CE1 2.79Å; D134-H162 IonicContact OD1-NE2 3.46Å; D134-H162 PolarHBondContact OD1-NE2 3.33Å; D134-H162 IonicContact OD2-CD2 3.88Å; D134-H162 IonicContact OD2-NE2 2.71Å; D134-H162 PolarHBondContact OD2-NE2 3.28Å; D134-H162 VanDerWaalsContact OD2-NE2 3.12Å; N159-H162 HydrophobicContact CB-CB 4.02Å; N159-H162 WeakPolarHBondContact ND2-CB 3.44Å; N159-H162 PolarHBondContact O-N 3.37Å; N159-H162 WeakPolarHBondContact OD1-CB 3.46Å; N159-H162 PolarHBondContact OD1-N 3.11Å; N159-H162 VanDerWaalsContact OD1-N 3.1Å; R160-H162 VanDerWaalsContact C-N 3.34Å; R160-H162 PolarHBondContact O-N 2.93Å; H162-V164 PolarHBondContact O-N 3.49Å; H162-Q165 WeakPolarHBondContact O-CB 3.22Å; H162-Q165 PolarHBondContact O-N 3.07Å; H162-K166 WeakPolarHBondContact O-CB 3.41Å; H162-K166 WeakPolarHBondContact O-CG 3.34Å; H162-K166 PolarHBondContact O-N 3.4Å
163	F	96.5	Very high	92.7	Very high	7 Å²	7	40.8 Å²	40.8	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-60.5	-45.7	174.4	-177.2	-82.2	0	0	0	111.8	V81 I133 F148 A150 V153 L154 V157 N159 R160 K166 S167 Y179	V81-F163 HydrophobicContact CB-CZ 4.32Å; V81-F163 HydrophobicContact CG1-CE2 3.83Å; V81-F163 HydrophobicContact CG1-CZ 4.04Å; I133-F163 HydrophobicContact CB-CD2 3.69Å; I133-F163 HydrophobicContact CB-CE2 3.88Å; I133-F163 HydrophobicContact CD1-CE2 4.41Å; I133-F163 HydrophobicContact CG1-CD2 4.01Å; I133-F163 HydrophobicContact CG1-CE2 4.22Å; I133-F163 HydrophobicContact CG2-CD2 3.69Å; I133-F163 HydrophobicContact CG2-CE2 4.36Å; I133-F163 HydrophobicContact CG2-CG 4.46Å; F148-F163 HydrophobicContact CE1-CE1 4.13Å; F148-F163 HydrophobicContact CE1-CZ 4.35Å; F148-F163 HydrophobicContact CZ-CE1 4.17Å; F148-F163 HydrophobicContact CZ-CZ 4.04Å; A150-F163 HydrophobicContact CB-CE1 3.93Å; A150-F163 HydrophobicContact CB-CZ 3.99Å; V153-F163 HydrophobicContact CG1-CE2 4.16Å; V153-F163 HydrophobicContact CG1-CZ 3.93Å; L154-F163 HydrophobicContact CD1-CD1 4.14Å; V157-F163 HydrophobicContact CG1-CB 3.56Å; V157-F163 HydrophobicContact CG1-CD2 4.1Å; V157-F163 HydrophobicContact CG1-CG 4Å; V157-F163 HydrophobicContact CG2-CB 4.42Å; V157-F163 HydrophobicContact CG2-CD2 3.55Å; V157-F163 HydrophobicContact CG2-CE2 3.87Å; V157-F163 HydrophobicContact CG2-CG 3.92Å; V157-F163 HydrophobicContact CG2-CZ 4.48Å; N159-F163 PolarHBondContact O-N 2.91Å; R160-F163 PolarHBondContact O-N 3.1Å; F163-K166 PolarHBondContact O-N 2.86Å; F163-S167 WeakPolarHBondContact O-CB 3.48Å; F163-S167 PolarHBondContact O-N 2.82Å; F163-S167 PolarHBondContact O-OG 3.41Å; F163-Y179 HydrophobicContact CE1-CE1 4.27Å
164	V	97.9	Very high	93.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-49.1	175.9	170.2	0	0	0	0	110.1	R160 E161 H162 K166 S167 V168 L219 M222 L223	R160-V164 WeakPolarHBondContact O-CB 3.1Å; R160-V164 WeakPolarHBondContact O-CG2 3.43Å; R160-V164 PolarHBondContact O-N 2.94Å; E161-V164 PolarHBondContact O-N 3.07Å; H162-V164 PolarHBondContact O-N 3.49Å; V164-K166 PolarHBondContact O-N 3.06Å; V164-S167 WeakPolarHBondContact CA-OG 3.49Å; V164-S167 PolarHBondContact O-N 3.48Å; V164-S167 PolarHBondContact O-OG 3.33Å; V164-V168 HydrophobicContact CG1-CG2 4.4Å; V164-V168 WeakPolarHBondContact O-CG2 3.47Å; V164-V168 PolarHBondContact O-N 3.26Å; V164-L219 HydrophobicContact CG2-CD1 3.73Å; V164-M222 HydrophobicContact CB-CB 4.2Å; V164-M222 HydrophobicContact CG1-CB 3.94Å; V164-M222 HydrophobicContact CG2-CB 4.17Å; V164-M222 HydrophobicContact CG2-SD 4.17Å; V164-L223 HydrophobicContact CG1-CD2 3.74Å; V164-L223 HydrophobicContact CG1-CG 4Å
165	Q	97.8	Very high	93.5	Very high	67 Å²	67	42.7 Å²	42.7	31%	0.313	25%	0.246	S	C	.	.	H	α-helix	trans	-50.8	-53.8	175.8	-178.5	-177.9	-12.2	0	0	111.8	E161 H162 S167 V168 E169 H226	E161-Q165 WeakPolarHBondContact O-CB 3.46Å; E161-Q165 PolarHBondContact O-N 2.75Å; H162-Q165 WeakPolarHBondContact O-CB 3.22Å; H162-Q165 PolarHBondContact O-N 3.07Å; Q165-S167 PolarHBondContact O-N 2.9Å; Q165-V168 PolarHBondContact O-N 2.97Å; Q165-V168 VanDerWaalsContact O-N 3.17Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.19Å; Q165-E169 PolarHBondContact NE2-OE1 3.15Å; Q165-E169 WeakPolarHBondContact O-CG 3.3Å; Q165-E169 PolarHBondContact O-N 3.38Å; Q165-H226 VanDerWaalsContact CB-NE2 3.33Å; Q165-H226 WeakPolarHBondContact CB-NE2 3.41Å; Q165-H226 WeakPolarHBondContact CG-NE2 3.47Å
166	K	97.6	Very high	94.4	Very high	41 Å²	41	44 Å²	44	18%	0.178	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-39.5	-177.7	-70.4	-67	172.7	-163.5	0	113.1	I133 H162 F163 V164 V168 E169 L170	I133-K166 HydrophobicContact CD1-CB 4.19Å; I133-K166 HydrophobicContact CG1-CB 3.47Å; I133-K166 VanDerWaalsContact CG1-CB 3.47Å; I133-K166 HydrophobicContact CG1-CG 4.36Å; H162-K166 WeakPolarHBondContact O-CB 3.41Å; H162-K166 WeakPolarHBondContact O-CG 3.34Å; H162-K166 PolarHBondContact O-N 3.4Å; F163-K166 PolarHBondContact O-N 2.86Å; V164-K166 PolarHBondContact O-N 3.06Å; K166-V168 VanDerWaalsContact C-N 3.3Å; K166-V168 PolarHBondContact O-N 3.44Å; K166-E169 WeakPolarHBondContact CD-OE2 3.12Å; K166-E169 IonicContact NZ-OE2 2.81Å; K166-E169 PolarHBondContact NZ-OE2 3Å; K166-E169 PolarHBondContact O-N 3.05Å; K166-L170 WeakPolarHBondContact O-CG 3.18Å; K166-L170 PolarHBondContact O-N 2.71Å
167	S	97.8	Very high	95.3	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-37.1	174.5	65.8	0	0	0	0	112.6	F163 V164 Q165 L170 V171 Y179	F163-S167 WeakPolarHBondContact O-CB 3.48Å; F163-S167 PolarHBondContact O-N 2.82Å; F163-S167 PolarHBondContact O-OG 3.41Å; V164-S167 WeakPolarHBondContact CA-OG 3.49Å; V164-S167 PolarHBondContact O-N 3.48Å; V164-S167 PolarHBondContact O-OG 3.33Å; Q165-S167 PolarHBondContact O-N 2.9Å; S167-L170 PolarHBondContact O-N 2.86Å; S167-V171 WeakPolarHBondContact O-CG2 3.46Å; S167-Y179 PolarHBondContact OG-OH 3.32Å
168	V	98.3	Very high	96	Very high	7 Å²	7	37 Å²	37	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-69.5	-39.9	175	174.8	0	0	0	0	111.6	V164 Q165 K166 L170 V171 L177 L223 H226 C228 K261	V164-V168 HydrophobicContact CG1-CG2 4.4Å; V164-V168 WeakPolarHBondContact O-CG2 3.47Å; V164-V168 PolarHBondContact O-N 3.26Å; Q165-V168 PolarHBondContact O-N 2.97Å; Q165-V168 VanDerWaalsContact O-N 3.17Å; K166-V168 VanDerWaalsContact C-N 3.3Å; K166-V168 PolarHBondContact O-N 3.44Å; V168-L170 PolarHBondContact O-N 3.31Å; V168-V171 PolarHBondContact O-N 2.93Å; V168-L177 HydrophobicContact CB-CD2 4.36Å; V168-L177 HydrophobicContact CG2-CD2 3.57Å; V168-L223 HydrophobicContact CG2-CD2 4.04Å; V168-H226 HydrophobicContact CB-CB 4.3Å; V168-H226 HydrophobicContact CG1-CB 4.2Å; V168-H226 WeakPolarHBondContact CG1-O 3.42Å; V168-H226 HydrophobicContact CG2-CB 4.1Å; V168-C228 VanDerWaalsContact CG2-SG 3.58Å; V168-K261 HydrophobicContact CG1-CD 3.99Å; V168-K261 HydrophobicContact CG1-CG 4.21Å; V168-K261 WeakPolarHBondContact O-CD 3.16Å; V168-K261 WeakPolarHBondContact O-CE 3.25Å; V168-K261 PolarHBondContact O-NZ 3.04Å
169	E	97.5	Very high	96.8	Very high	55 Å²	55	33.2 Å²	33.2	26%	0.257	18%	0.179	S	C	.	.	H	α-helix	trans	-56.4	-37.2	176.6	-74.7	172.1	-168.4	0	0	111.9	V142 A143 Q165 K166 V171	V142-E169 WeakPolarHBondContact CG1-O 3.32Å; A143-E169 PolarHBondContact N-O 3.25Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.19Å; Q165-E169 PolarHBondContact NE2-OE1 3.15Å; Q165-E169 WeakPolarHBondContact O-CG 3.3Å; Q165-E169 PolarHBondContact O-N 3.38Å; K166-E169 WeakPolarHBondContact CD-OE2 3.12Å; K166-E169 IonicContact NZ-OE2 2.81Å; K166-E169 PolarHBondContact NZ-OE2 3Å; K166-E169 PolarHBondContact O-N 3.05Å; E169-V171 VanDerWaalsContact C-N 3.34Å; E169-V171 PolarHBondContact O-N 3.19Å
170	L	97.3	Very high	97	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-70.6	-24.1	-178.4	-73.1	163.6	0	0	0	114.8	I133 F136 F140 Q144 F145 F148 K166 S167 V168	I133-L170 HydrophobicContact CD1-CD1 4.09Å; F136-L170 HydrophobicContact CD1-CD1 3.7Å; F136-L170 HydrophobicContact CE1-CD1 3.92Å; F140-L170 HydrophobicContact CB-CD2 3.92Å; Q144-L170 PolarHBondContact N-O 3.41Å; F145-L170 HydrophobicContact CD2-CB 4.11Å; F145-L170 HydrophobicContact CD2-CD2 4.32Å; F145-L170 HydrophobicContact CE2-CD2 4.07Å; F145-L170 PolarHBondContact N-O 2.86Å; F148-L170 HydrophobicContact CD2-CD1 4.29Å; F148-L170 HydrophobicContact CE2-CD1 4.16Å; K166-L170 WeakPolarHBondContact O-CG 3.18Å; K166-L170 PolarHBondContact O-N 2.71Å; S167-L170 PolarHBondContact O-N 2.86Å; V168-L170 PolarHBondContact O-N 3.31Å
171	V	97.4	Very high	96.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	143.1	-173	179.8	0	0	0	0	111.1	A143 F148 S167 V168 E169 G175 L177 K261	A143-V171 WeakPolarHBondContact CA-O 3.5Å; F148-V171 HydrophobicContact CB-CG2 3.4Å; F148-V171 VanDerWaalsContact CB-CG2 3.4Å; S167-V171 WeakPolarHBondContact O-CG2 3.46Å; V168-V171 PolarHBondContact O-N 2.93Å; E169-V171 VanDerWaalsContact C-N 3.34Å; E169-V171 PolarHBondContact O-N 3.19Å; V171-G175 VanDerWaalsContact CG1-C 3.43Å; V171-G175 VanDerWaalsContact CG1-CA 3.45Å; V171-L177 HydrophobicContact CG2-CG 4.27Å; V171-K261 HydrophobicContact CB-CD 4.37Å; V171-K261 WeakPolarHBondContact O-CD 3.44Å; V171-K261 WeakPolarHBondContact O-CE 3.48Å; V171-K261 PolarHBondContact O-NZ 3.15Å
172	K	97.2	Very high	96.4	Very high	76 Å²	76	24 Å²	24	33%	0.33	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	152.2	173.7	-71.1	168.5	-170.8	163.2	0	111.8	A143 Q144 F145 D146 G174 G175	A143-K172 WeakPolarHBondContact O-CG 3.36Å; Q144-K172 WeakPolarHBondContact O-CE 3.3Å; F145-K172 WeakPolarHBondContact O-CG 3.33Å; F145-K172 PolarHBondContact O-N 2.87Å; D146-K172 IonicContact OD1-NZ 2.73Å; D146-K172 PolarHBondContact OD1-NZ 3.49Å; K172-G174 PolarHBondContact O-N 3.37Å; K172-G175 WeakPolarHBondContact O-CA 3.25Å; K172-G175 PolarHBondContact O-N 3.34Å
173	P	97.5	Very high	95.7	Very high	89 Å²	89	22.1 Å²	22.1	58%	0.578	13%	0.127	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-50.2	132.5	161.8	-25.5	35.5	0	0	0	110.5	G175 G262	P173-G175 PolarHBondContact O-N 2.94Å; P173-G262 WeakPolarHBondContact CA-O 3.47Å; P173-G262 WeakPolarHBondContact CB-O 3.4Å
174	G	96.3	Very high	94.7	Very high	52 Å²	52	24.8 Å²	24.8	54%	0.536	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77.5	-4.6	-172.3	0	0	0	0	0	115.7	K172 V260 K261	K172-G174 PolarHBondContact O-N 3.37Å; G174-V260 WeakPolarHBondContact O-CG2 3.24Å; G174-K261 VanDerWaalsContact CA-O 3.27Å; G174-K261 WeakPolarHBondContact CA-O 3.32Å; G174-K261 PolarHBondContact N-O 2.7Å
175	G	96.9	Very high	93.2	Very high	7 Å²	7	26.5 Å²	26.5	7%	0.072	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	165.4	175.2	0	0	0	0	0	112.7	D146 V171 K172 P173 V260 K261	D146-G175 CarbonylContact O-C 3.59Å; D146-G175 WeakPolarHBondContact O-CA 3.38Å; V171-G175 VanDerWaalsContact CG1-C 3.43Å; V171-G175 VanDerWaalsContact CG1-CA 3.45Å; K172-G175 WeakPolarHBondContact O-CA 3.25Å; K172-G175 PolarHBondContact O-N 3.34Å; P173-G175 PolarHBondContact O-N 2.94Å; G175-V260 WeakPolarHBondContact O-CA 3.19Å; G175-K261 PolarHBondContact O-N 2.83Å
176	L	97.9	Very high	91.3	Very high	34 Å²	34	29.1 Å²	29.1	18%	0.178	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	144.7	-168.8	-63.1	171.8	0	0	0	112.8	A74 V75 D146 A147 F148 F178 A259 V260	A74-L176 HydrophobicContact CB-CD1 3.42Å; A74-L176 VanDerWaalsContact CB-CD1 3.42Å; V75-L176 HydrophobicContact CG1-CD1 4.3Å; D146-L176 PolarHBondContact O-N 3.17Å; A147-L176 CarbonylContact C-O 3.46Å; A147-L176 WeakPolarHBondContact CA-O 3.28Å; A147-L176 HydrophobicContact CB-CB 4.32Å; A147-L176 WeakPolarHBondContact CB-O 3.45Å; F148-L176 PolarHBondContact N-O 3.36Å; L176-F178 HydrophobicContact CB-CD2 4.32Å; L176-F178 HydrophobicContact CB-CE2 3.56Å; L176-F178 HydrophobicContact CB-CZ 3.95Å; L176-F178 HydrophobicContact CD1-CE2 4.2Å; L176-F178 HydrophobicContact CD1-CZ 3.87Å; L176-A259 CarbonylContact C-O 3.56Å; L176-A259 WeakPolarHBondContact CA-O 3.34Å; L176-V260 HydrophobicContact CD2-CB 4Å; L176-V260 HydrophobicContact CD2-CG2 4.09Å
177	L	98.1	Very high	89.3	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.2	172.4	-60.5	96.7	0	0	0	109.4	F148 V168 V171 Y179 L223 C258 A259 K261	F148-L177 HydrophobicContact CB-CD2 4.48Å; F148-L177 HydrophobicContact CB-CG 4.45Å; F148-L177 WeakPolarHBondContact O-CA 3.42Å; V168-L177 HydrophobicContact CB-CD2 4.36Å; V168-L177 HydrophobicContact CG2-CD2 3.57Å; V171-L177 HydrophobicContact CG2-CG 4.27Å; L177-Y179 HydrophobicContact CB-CE2 3.71Å; L177-Y179 HydrophobicContact CD2-CE2 4.31Å; L177-Y179 WeakPolarHBondContact CD2-OH 3.26Å; L177-L223 HydrophobicContact CD2-CD2 4.21Å; L177-C258 VanDerWaalsContact O-CA 3.3Å; L177-C258 WeakPolarHBondContact O-CA 3.13Å; L177-A259 PolarHBondContact N-O 3.28Å; L177-A259 PolarHBondContact O-N 3.29Å; L177-K261 HydrophobicContact CD1-CB 4.32Å
178	F	98	Very high	87.7	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.4	-180	-60.9	-89.1	0	0	0	110	W70 I71 A74 A147 F148 V149 A150 L176 L257 C258	W70-F178 AromaticContact CD2-CD1 3.95Å; W70-F178 HydrophobicContact CD2-CD1 3.95Å; W70-F178 HydrophobicContact CD2-CE1 4.24Å; W70-F178 AromaticContact CE2-CD1 3.8Å; W70-F178 AromaticContact CE3-CD1 3.9Å; W70-F178 HydrophobicContact CE3-CD1 3.9Å; W70-F178 HydrophobicContact CH2-CB 4.04Å; W70-F178 AromaticContact CH2-CD1 3.62Å; W70-F178 HydrophobicContact CH2-CD1 3.62Å; W70-F178 HydrophobicContact CH2-CG 4.33Å; W70-F178 AromaticContact CZ2-CD1 3.68Å; W70-F178 HydrophobicContact CZ2-CD1 3.68Å; W70-F178 HydrophobicContact CZ2-CE1 4.3Å; W70-F178 HydrophobicContact CZ3-CB 3.95Å; W70-F178 AromaticContact CZ3-CD1 3.73Å; W70-F178 HydrophobicContact CZ3-CD1 3.73Å; W70-F178 HydrophobicContact CZ3-CG 4.31Å; I71-F178 HydrophobicContact CG1-CB 4.41Å; I71-F178 HydrophobicContact CG1-CD1 4.02Å; I71-F178 HydrophobicContact CG1-CD2 4.36Å; I71-F178 HydrophobicContact CG1-CE1 4.35Å; I71-F178 HydrophobicContact CG1-CG 4.02Å; I71-F178 HydrophobicContact CG2-CD2 4.46Å; I71-F178 HydrophobicContact CG2-CE2 4.36Å; A74-F178 HydrophobicContact CB-CZ 3.89Å; A147-F178 HydrophobicContact CB-CD2 4.24Å; A147-F178 HydrophobicContact CB-CE2 3.98Å; F148-F178 PolarHBondContact O-N 3.5Å; V149-F178 WeakPolarHBondContact CA-O 2.88Å; V149-F178 HydrophobicContact CG1-CB 4.48Å; V149-F178 HydrophobicContact CG2-CB 4.22Å; V149-F178 HydrophobicContact CG2-CD2 4.13Å; A150-F178 PolarHBondContact N-O 3.33Å; L176-F178 HydrophobicContact CB-CD2 4.32Å; L176-F178 HydrophobicContact CB-CE2 3.56Å; L176-F178 HydrophobicContact CB-CZ 3.95Å; L176-F178 HydrophobicContact CD1-CE2 4.2Å; L176-F178 HydrophobicContact CD1-CZ 3.87Å; F178-L257 WeakPolarHBondContact CA-O 3.44Å; F178-C258 HydrophobicContact CD1-CB 4.14Å; F178-C258 HydrophobicContact CE1-CB 4.2Å
179	Y	97.7	Very high	86	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.8	173.5	-58.9	-91.8	0	0	0	110.2	F148 A150 F163 S167 L177 L219 L223 A256 L257	F148-Y179 HydrophobicContact CE1-CE1 4.36Å; A150-Y179 HydrophobicContact CB-CD1 3.92Å; A150-Y179 HydrophobicContact CB-CE1 4.1Å; A150-Y179 VanDerWaalsContact O-CA 3.27Å; A150-Y179 WeakPolarHBondContact O-CA 3.43Å; F163-Y179 HydrophobicContact CE1-CE1 4.27Å; S167-Y179 PolarHBondContact OG-OH 3.32Å; L177-Y179 HydrophobicContact CB-CE2 3.71Å; L177-Y179 HydrophobicContact CD2-CE2 4.31Å; L177-Y179 WeakPolarHBondContact CD2-OH 3.26Å; Y179-L219 HydrophobicContact CD1-CD2 4.46Å; Y179-L219 HydrophobicContact CD2-CD2 4.2Å; Y179-L219 HydrophobicContact CG-CD2 3.89Å; Y179-L223 HydrophobicContact CD2-CD1 4.25Å; Y179-L223 HydrophobicContact CE2-CD1 3.95Å; Y179-L223 HydrophobicContact CE2-CD2 3.88Å; Y179-L223 HydrophobicContact CE2-CG 4.44Å; Y179-A256 CarbonylContact O-C 3.38Å; Y179-A256 WeakPolarHBondContact O-CA 3.49Å; Y179-L257 HydrophobicContact CD2-CD2 4.25Å; Y179-L257 PolarHBondContact N-O 3.07Å; Y179-L257 PolarHBondContact O-N 2.88Å
180	T	94.9	Very high	83.7	Confident	4 Å²	4	38.6 Å²	38.6	3%	0.025	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.6	158.4	70.6	0	0	0	0	108.4	W70 A150 S151 E152 F236 Y255 A256	W70-T180 HydrophobicContact CZ3-CG2 4.03Å; A150-T180 PolarHBondContact O-N 2.9Å; A150-T180 VanDerWaalsContact O-N 3.14Å; S151-T180 VanDerWaalsContact CA-OG1 3.27Å; S151-T180 WeakPolarHBondContact CA-OG1 3.4Å; S151-T180 WeakPolarHBondContact CB-OG1 3.13Å; S151-T180 PolarHBondContact OG-OG1 3.22Å; E152-T180 PolarHBondContact N-O 3.43Å; E152-T180 PolarHBondContact N-OG1 3.02Å; E152-T180 WeakPolarHBondContact OE1-CB 3.46Å; E152-T180 PolarHBondContact OE1-OG1 3.44Å; T180-F236 HydrophobicContact CG2-CE1 4.15Å; T180-Y255 WeakPolarHBondContact CA-O 3.44Å; T180-A256 HydrophobicContact CG2-CB 3.9Å
181	T	91.5	Very high	81.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	172.9	178.7	-169.4	0	0	0	0	110.5	E152 E155 Y255	E152-T181 PolarHBondContact OE1-N 3.35Å; E155-T181 PolarHBondContact OE2-OG1 2.9Å; T181-Y255 HydrophobicContact CG2-CD1 4.3Å; T181-Y255 HydrophobicContact CG2-CE1 3.44Å; T181-Y255 VanDerWaalsContact CG2-CE1 3.44Å; T181-Y255 HydrophobicContact CG2-CE2 4.16Å; T181-Y255 VanDerWaalsContact CG2-OH 3.29Å; T181-Y255 WeakPolarHBondContact CG2-OH 3.48Å; T181-Y255 PolarHBondContact N-O 3.5Å; T181-Y255 VanDerWaalsContact N-O 3.12Å; T181-Y255 PolarHBondContact O-N 3.11Å
182	M	84.6	Confident	80	Confident	4 Å²	4	41.7 Å²	41.7	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	139	174.1	-70.2	167.2	-77.7	0	0	111.9	E155 A192 H208 F213 T214	E155-M182 HydrophobicContact CB-CE 4.21Å; E155-M182 HydrophobicContact CG-CE 3.73Å; E155-M182 WeakPolarHBondContact OE1-CE 3.42Å; M182-A192 HydrophobicContact SD-CB 4.14Å; M182-H208 VanDerWaalsContact SD-CD2 3.53Å; M182-F213 HydrophobicContact CB-CB 4.48Å; M182-F213 HydrophobicContact CB-CD1 3.72Å; M182-F213 HydrophobicContact CB-CD2 3.85Å; M182-F213 HydrophobicContact CB-CE1 3.82Å; M182-F213 HydrophobicContact CB-CE2 3.91Å; M182-F213 HydrophobicContact CB-CG 3.75Å; M182-F213 HydrophobicContact CB-CZ 3.9Å; M182-F213 HydrophobicContact CE-CD1 4.1Å; M182-F213 HydrophobicContact CE-CE1 3.41Å; M182-F213 VanDerWaalsContact CE-CE1 3.41Å; M182-F213 HydrophobicContact CE-CZ 3.93Å; M182-F213 HydrophobicContact CG-CE1 4.25Å; M182-F213 HydrophobicContact CG-CE2 4.46Å; M182-F213 HydrophobicContact CG-CZ 4.16Å; M182-F213 WeakPolarHBondContact O-CB 3.39Å; M182-F213 HydrophobicContact SD-CD1 4.28Å; M182-F213 HydrophobicContact SD-CE1 3.41Å; M182-F213 WeakPolarHBondContact SD-CE1 3.36Å; M182-F213 HydrophobicContact SD-CE2 4.02Å; M182-F213 HydrophobicContact SD-CZ 3.24Å; M182-F213 WeakPolarHBondContact SD-CZ 3.5Å; M182-T214 PolarHBondContact O-N 3.28Å
183	N	80.7	Confident	78.2	Confident	13 Å²	13	39.2 Å²	39.2	7%	0.07	21%	0.209	C	C	.	.			trans	-82	145.4	174.3	-167.8	-10.1	0	0	0	110.8	T185 A188 F213 P216 T251 I253 Y255	N183-T185 VanDerWaalsContact C-N 3.27Å; N183-T185 HydrophobicContact CB-CG2 4.22Å; N183-T185 PolarHBondContact O-N 3.14Å; N183-A188 WeakPolarHBondContact O-CB 3.24Å; N183-F213 VanDerWaalsContact O-CD2 3.28Å; N183-F213 WeakPolarHBondContact O-CD2 3.46Å; N183-P216 WeakPolarHBondContact ND2-CD 3.17Å; N183-P216 WeakPolarHBondContact OD1-CD 3.16Å; N183-T251 WeakPolarHBondContact CB-O 3.48Å; N183-T251 PolarHBondContact ND2-O 2.87Å; N183-I253 PolarHBondContact N-O 3.46Å; N183-Y255 HydrophobicContact CB-CD1 4.01Å; N183-Y255 HydrophobicContact CB-CE1 4.25Å
184	K	76.6	Confident	76.1	Confident	63 Å²	63	41 Å²	41	27%	0.274	21%	0.205	S	C	.	.			trans	-83.1	63.9	177.9	-162.8	170.2	-178.1	168.8	0	112.1	W210 E211 F213 P215	K184-W210 HydrophobicContact CD-CZ2 4.5Å; K184-W210 HydrophobicContact CG-CD2 4.23Å; K184-W210 HydrophobicContact CG-CH2 4.17Å; K184-W210 HydrophobicContact CG-CZ2 3.63Å; K184-E211 WeakPolarHBondContact CE-OE2 3.34Å; K184-E211 PolarHBondContact NZ-O 2.92Å; K184-E211 IonicContact NZ-OE2 3.27Å; K184-E211 PolarHBondContact NZ-OE2 3.23Å; K184-F213 HydrophobicContact CB-CB 3.75Å; K184-F213 HydrophobicContact CG-CB 4.18Å; K184-P215 HydrophobicContact CB-CG 4.04Å
185	T	66.4	Low	74	Confident	35 Å²	35	39.8 Å²	39.8	22%	0.215	19%	0.187	C	C	.	.	S	Bend	trans	-111.4	157.8	173.9	80.4	0	0	0	0	111.5	N183 L187 A188 R189 W210 G252	N183-T185 VanDerWaalsContact C-N 3.27Å; N183-T185 HydrophobicContact CB-CG2 4.22Å; N183-T185 PolarHBondContact O-N 3.14Å; T185-L187 PolarHBondContact O-N 2.81Å; T185-L187 PolarHBondContact OG1-N 3.45Å; T185-A188 PolarHBondContact O-N 3.23Å; T185-A188 WeakPolarHBondContact OG1-CB 3.25Å; T185-A188 PolarHBondContact OG1-N 3.17Å; T185-R189 PolarHBondContact O-N 2.82Å; T185-W210 PolarHBondContact O-NE1 3.05Å; T185-G252 VanDerWaalsContact CG2-O 3.31Å; T185-G252 WeakPolarHBondContact CG2-O 3.24Å; T185-G252 PolarHBondContact OG1-O 2.88Å
186	Q	57.3	Low	72.1	Confident	123 Å²	123	40.1 Å²	40.1	58%	0.575	19%	0.189	S	C	*	.	H	α-helix	trans	-62.5	-30.4	172.5	-65.6	-60.5	-23.2	0	0	111.8	R189 F190	Q186-R189 WeakPolarHBondContact O-CB 3.5Å; Q186-R189 PolarHBondContact O-N 3.03Å; Q186-F190 PolarHBondContact O-N 3.23Å
187	L	56.2	Low	70.7	Confident	68 Å²	68	39.2 Å²	39.2	36%	0.356	18%	0.184	S	C	.	.	H	α-helix	trans	-70.2	-41.8	175.7	-173.9	66.3	0	0	0	111.6	T185 R189 F190 L191 Y250 I253	T185-L187 PolarHBondContact O-N 2.81Å; T185-L187 PolarHBondContact OG1-N 3.45Å; L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 2.76Å; L187-F190 PolarHBondContact O-N 2.91Å; L187-F190 VanDerWaalsContact O-N 3.16Å; L187-L191 HydrophobicContact CD1-CD1 3.7Å; L187-L191 HydrophobicContact CD1-CG 3.95Å; L187-L191 HydrophobicContact CD2-CD1 4.18Å; L187-L191 HydrophobicContact CG-CD1 3.75Å; L187-L191 HydrophobicContact CG-CG 4.26Å; L187-L191 WeakPolarHBondContact O-CB 3.22Å; L187-L191 PolarHBondContact O-N 3.34Å; L187-Y250 HydrophobicContact CD2-CE1 3.95Å; L187-Y250 WeakPolarHBondContact CD2-OH 3.19Å; L187-I253 HydrophobicContact CD2-CD1 4.18Å; L187-I253 HydrophobicContact CD2-CG1 4.08Å; L187-I253 HydrophobicContact CG-CG1 4.26Å
188	A	64.1	Low	68.4	Low	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-43.9	174	0	0	0	0	0	110.7	N183 T185 F190 L191 A192 F213	N183-A188 WeakPolarHBondContact O-CB 3.24Å; T185-A188 PolarHBondContact O-N 3.23Å; T185-A188 WeakPolarHBondContact OG1-CB 3.25Å; T185-A188 PolarHBondContact OG1-N 3.17Å; A188-F190 VanDerWaalsContact C-N 3.3Å; A188-F190 PolarHBondContact O-N 3.12Å; A188-L191 PolarHBondContact O-N 3.49Å; A188-A192 WeakPolarHBondContact O-CA 3.4Å; A188-A192 WeakPolarHBondContact O-CB 3.32Å; A188-A192 PolarHBondContact O-N 3.38Å; A188-F213 HydrophobicContact CB-CD2 4.39Å; A188-F213 HydrophobicContact CB-CE2 4.37Å
189	R	61.4	Low	65.7	Low	129 Å²	129	46.8 Å²	46.8	49%	0.487	23%	0.228	S	C	.	.	I	π-helix	trans	-53.5	-48.3	171.6	-169.6	176.4	156.9	166.5	-5.1	111.6	T185 Q186 L187 V193 Y194 W210	T185-R189 PolarHBondContact O-N 2.82Å; Q186-R189 WeakPolarHBondContact O-CB 3.5Å; Q186-R189 PolarHBondContact O-N 3.03Å; L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 2.76Å; R189-V193 WeakPolarHBondContact O-CB 3.46Å; R189-V193 WeakPolarHBondContact O-CG2 3.2Å; R189-V193 PolarHBondContact O-N 2.85Å; R189-Y194 PolarHBondContact O-N 3.29Å; R189-W210 HydrophobicContact CB-CB 4.43Å; R189-W210 VanDerWaalsContact CB-CD1 3.43Å; R189-W210 HydrophobicContact CB-CG 3.9Å; R189-W210 HydrophobicContact CG-CB 4.04Å; R189-W210 HydrophobicContact CG-CG 3.92Å
190	F	49.5	Very low	63.9	Low	105 Å²	105	51.2 Å²	51.2	46%	0.461	25%	0.251	S	S	.	.	I	π-helix	trans	-70.2	-45.6	-178.1	-178.6	-105.3	0	0	0	112.7	Q186 L187 A188 Y194 V195	Q186-F190 PolarHBondContact O-N 3.23Å; L187-F190 PolarHBondContact O-N 2.91Å; L187-F190 VanDerWaalsContact O-N 3.16Å; A188-F190 VanDerWaalsContact C-N 3.3Å; A188-F190 PolarHBondContact O-N 3.12Å; F190-Y194 AromaticContact CD2-CD1 3.96Å; F190-Y194 HydrophobicContact CD2-CD1 3.96Å; F190-Y194 HydrophobicContact CD2-CG 4.37Å; F190-Y194 AromaticContact CE2-CD1 3.53Å; F190-Y194 HydrophobicContact CE2-CD1 3.53Å; F190-Y194 AromaticContact CE2-CE1 3.99Å; F190-Y194 HydrophobicContact CE2-CE1 3.99Å; F190-Y194 HydrophobicContact CE2-CG 4.33Å; F190-Y194 HydrophobicContact CZ-CD1 4.2Å; F190-Y194 CarbonylContact O-C 3.57Å; F190-Y194 WeakPolarHBondContact O-CA 3.16Å; F190-Y194 VanDerWaalsContact O-CB 3.24Å; F190-Y194 WeakPolarHBondContact O-CB 3.1Å; F190-Y194 PolarHBondContact O-N 3.43Å; F190-V195 HydrophobicContact CD1-CG2 4.19Å; F190-V195 HydrophobicContact CE1-CG2 3.76Å; F190-V195 HydrophobicContact CZ-CG2 3.99Å; F190-V195 PolarHBondContact O-N 2.84Å
191	L	57.3	Low	62.2	Low	61 Å²	61	53.8 Å²	53.8	32%	0.319	28%	0.279	S	S	.	.	I	π-helix	trans	-82.7	-48.4	-173.9	-68.3	177.8	0	0	0	113.2	L187 A188 V195 A196 I253	L187-L191 HydrophobicContact CD1-CD1 3.7Å; L187-L191 HydrophobicContact CD1-CG 3.95Å; L187-L191 HydrophobicContact CD2-CD1 4.18Å; L187-L191 HydrophobicContact CG-CD1 3.75Å; L187-L191 HydrophobicContact CG-CG 4.26Å; L187-L191 WeakPolarHBondContact O-CB 3.22Å; L187-L191 PolarHBondContact O-N 3.34Å; A188-L191 PolarHBondContact O-N 3.49Å; L191-V195 HydrophobicContact CD2-CB 4.38Å; L191-V195 HydrophobicContact CD2-CG2 3.97Å; L191-A196 PolarHBondContact O-N 2.88Å; L191-A196 VanDerWaalsContact O-N 3.12Å; L191-I253 HydrophobicContact CD1-CD1 3.32Å; L191-I253 HydrophobicContact CD1-CG1 4.11Å
192	A	60.4	Low	60.6	Low	6 Å²	6	56.6 Å²	56.6	5%	0.05	29%	0.294	C	S	.	.	I	π-helix	trans	-76.1	-35.6	-176.2	0	0	0	0	0	112.1	M182 A188 A196 H208	M182-A192 HydrophobicContact SD-CB 4.14Å; A188-A192 WeakPolarHBondContact O-CA 3.4Å; A188-A192 WeakPolarHBondContact O-CB 3.32Å; A188-A192 PolarHBondContact O-N 3.38Å; A192-A196 VanDerWaalsContact O-CB 3.26Å; A192-A196 WeakPolarHBondContact O-CB 3.32Å; A192-H208 PolarHBondContact O-ND1 2.94Å
193	V	58.7	Low	59.2	Low	24 Å²	24	57.8 Å²	57.8	15%	0.145	30%	0.301	C	S	.	.	I	π-helix	trans	-93.3	-64.4	178.2	-164.2	0	0	0	0	110.1	R189 E197 H208 F213	R189-V193 WeakPolarHBondContact O-CB 3.46Å; R189-V193 WeakPolarHBondContact O-CG2 3.2Å; R189-V193 PolarHBondContact O-N 2.85Å; V193-E197 WeakPolarHBondContact O-CB 3.49Å; V193-E197 WeakPolarHBondContact O-CG 3.19Å; V193-E197 PolarHBondContact O-N 3.33Å; V193-E197 VanDerWaalsContact O-N 3.07Å; V193-H208 HydrophobicContact CB-CB 4.28Å; V193-H208 HydrophobicContact CG1-CB 4.14Å; V193-H208 HydrophobicContact CG2-CB 3.59Å; V193-F213 HydrophobicContact CG2-CE2 4.4Å; V193-F213 HydrophobicContact CG2-CZ 4.18Å
194	Y	53.1	Low	57.9	Low	126 Å²	126	61.1 Å²	61.1	49%	0.494	32%	0.323	S	S	.	.	I	π-helix	trans	-69.7	-51.6	-169.4	-179.2	-94.3	0	0	0	113.2	R189 F190 N198 V199	R189-Y194 PolarHBondContact O-N 3.29Å; F190-Y194 AromaticContact CD2-CD1 3.96Å; F190-Y194 HydrophobicContact CD2-CD1 3.96Å; F190-Y194 HydrophobicContact CD2-CG 4.37Å; F190-Y194 AromaticContact CE2-CD1 3.53Å; F190-Y194 HydrophobicContact CE2-CD1 3.53Å; F190-Y194 AromaticContact CE2-CE1 3.99Å; F190-Y194 HydrophobicContact CE2-CE1 3.99Å; F190-Y194 HydrophobicContact CE2-CG 4.33Å; F190-Y194 HydrophobicContact CZ-CD1 4.2Å; F190-Y194 CarbonylContact O-C 3.57Å; F190-Y194 WeakPolarHBondContact O-CA 3.16Å; F190-Y194 VanDerWaalsContact O-CB 3.24Å; F190-Y194 WeakPolarHBondContact O-CB 3.1Å; F190-Y194 PolarHBondContact O-N 3.43Å; Y194-N198 HydrophobicContact CD2-CB 4.34Å; Y194-N198 HydrophobicContact CE2-CB 4.29Å; Y194-N198 WeakPolarHBondContact O-CA 3.42Å; Y194-N198 WeakPolarHBondContact O-CB 3.4Å; Y194-N198 PolarHBondContact O-N 3.05Å; Y194-N198 PolarHBondContact O-ND2 2.93Å; Y194-V199 HydrophobicContact CD1-CG2 4.19Å; Y194-V199 HydrophobicContact CE1-CG2 3.79Å
195	V	52.2	Low	56.9	Low	28 Å²	28	65.8 Å²	65.8	17%	0.17	34%	0.343	C	S	.	.	I	π-helix	trans	-69.7	-47	-177.3	173	0	0	0	0	111.5	F190 L191 E197 V199 L200	F190-V195 HydrophobicContact CD1-CG2 4.19Å; F190-V195 HydrophobicContact CE1-CG2 3.76Å; F190-V195 HydrophobicContact CZ-CG2 3.99Å; F190-V195 PolarHBondContact O-N 2.84Å; L191-V195 HydrophobicContact CD2-CB 4.38Å; L191-V195 HydrophobicContact CD2-CG2 3.97Å; V195-E197 PolarHBondContact O-N 3.38Å; V195-V199 HydrophobicContact CG1-CB 4.27Å; V195-V199 HydrophobicContact CG2-CG2 4.45Å; V195-V199 WeakPolarHBondContact O-CB 3.33Å; V195-V199 PolarHBondContact O-N 3.28Å; V195-V199 VanDerWaalsContact O-N 3.11Å; V195-L200 HydrophobicContact CG1-CD1 3.76Å; V195-L200 HydrophobicContact CG1-CG 3.85Å; V195-L200 PolarHBondContact O-N 3.48Å
196	A	57.9	Low	56.6	Low	14 Å²	14	67.3 Å²	67.3	12%	0.116	37%	0.367	C	S	.	.	I	π-helix	trans	-65.3	-40.5	-178.6	0	0	0	0	0	112.6	L191 A192 G201 L202 V203	L191-A196 PolarHBondContact O-N 2.88Å; L191-A196 VanDerWaalsContact O-N 3.12Å; A192-A196 VanDerWaalsContact O-CB 3.26Å; A192-A196 WeakPolarHBondContact O-CB 3.32Å; A196-G201 PolarHBondContact O-N 3.48Å; A196-L202 PolarHBondContact O-N 2.72Å; A196-V203 HydrophobicContact CB-CG2 4.07Å; A196-V203 PolarHBondContact O-N 2.79Å
197	E	67.1	Low	56.5	Low	14 Å²	14	64.9 Å²	64.9	7%	0.065	36%	0.36	C	S	.	.	I	π-helix	trans	-83.7	-40.3	-178.4	-59.4	-179.8	-176.9	0	0	113.3	V193 V195 V203 K205 G206 V207 H208	V193-E197 WeakPolarHBondContact O-CB 3.49Å; V193-E197 WeakPolarHBondContact O-CG 3.19Å; V193-E197 PolarHBondContact O-N 3.33Å; V193-E197 VanDerWaalsContact O-N 3.07Å; V195-E197 PolarHBondContact O-N 3.38Å; E197-V203 WeakPolarHBondContact CA-O 3.49Å; E197-V203 HydrophobicContact CG-CB 4.16Å; E197-V203 HydrophobicContact CG-CG1 4.39Å; E197-K205 HydrophobicContact CB-CG 4.47Å; E197-K205 WeakPolarHBondContact OE2-CA 3.15Å; E197-G206 PolarHBondContact OE2-N 3.39Å; E197-V207 PolarHBondContact OE1-N 3.17Å; E197-H208 IonicContact OE1-CG 3.21Å; E197-H208 PolarHBondContact OE1-N 2.71Å; E197-H208 IonicContact OE1-ND1 3.1Å; E197-H208 PolarHBondContact OE1-ND1 3.43Å
198	N	50.1	Low	56.6	Low	72 Å²	72	63.6 Å²	63.6	39%	0.385	35%	0.352	S	S	.	.	I	π-helix	trans	-105.5	-31	-167.8	-57.9	-77.5	0	0	0	114.5	Y194 K205	Y194-N198 HydrophobicContact CD2-CB 4.34Å; Y194-N198 HydrophobicContact CE2-CB 4.29Å; Y194-N198 WeakPolarHBondContact O-CA 3.42Å; Y194-N198 WeakPolarHBondContact O-CB 3.4Å; Y194-N198 PolarHBondContact O-N 3.05Å; Y194-N198 PolarHBondContact O-ND2 2.93Å; N198-K205 WeakPolarHBondContact OD1-CE 3.29Å
199	V	41.5	Very low	56.4	Low	92 Å²	92	67.2 Å²	67.2	56%	0.558	37%	0.371	S	S	*	.	I	π-helix	trans	-96.9	-48.1	-175.5	-178.1	0	0	0	0	110.9	Y194 V195	Y194-V199 HydrophobicContact CD1-CG2 4.19Å; Y194-V199 HydrophobicContact CE1-CG2 3.79Å; V195-V199 HydrophobicContact CG1-CB 4.27Å; V195-V199 HydrophobicContact CG2-CG2 4.45Å; V195-V199 WeakPolarHBondContact O-CB 3.33Å; V195-V199 PolarHBondContact O-N 3.28Å; V195-V199 VanDerWaalsContact O-N 3.11Å
200	L	60.9	Low	56.1	Low	94 Å²	94	63.1 Å²	63.1	49%	0.492	36%	0.356	S	S	.	.	S	Bend	trans	-96.7	-16	-175.4	-58.7	179.3	0	0	0	113.4	V195 L202	V195-L200 HydrophobicContact CG1-CD1 3.76Å; V195-L200 HydrophobicContact CG1-CG 3.85Å; V195-L200 PolarHBondContact O-N 3.48Å; L200-L202 HydrophobicContact CB-CD1 3.83Å; L200-L202 HydrophobicContact CB-CG 3.68Å; L200-L202 HydrophobicContact CD1-CD1 3.73Å; L200-L202 HydrophobicContact CG-CD1 4.45Å; L200-L202 PolarHBondContact O-N 3.32Å
201	G	57.7	Low	56.7	Low	59 Å²	59	63.5 Å²	63.5	61%	0.608	36%	0.359	S	S	*	.			trans	59.2	28.2	-178.2	0	0	0	0	0	113.6	A196	A196-G201 PolarHBondContact O-N 3.48Å
202	L	59.5	Low	57.1	Low	59 Å²	59	65 Å²	65	31%	0.309	36%	0.363	S	S	.	.			trans	-78.9	-23.7	-178.3	-65.8	173.9	0	0	0	112.2	L59 A196 L200 Y238	L59-L202 HydrophobicContact CD1-CB 4.18Å; L59-L202 HydrophobicContact CD1-CD1 4.49Å; A196-L202 PolarHBondContact O-N 2.72Å; L200-L202 HydrophobicContact CB-CD1 3.83Å; L200-L202 HydrophobicContact CB-CG 3.68Å; L200-L202 HydrophobicContact CD1-CD1 3.73Å; L200-L202 HydrophobicContact CG-CD1 4.45Å; L200-L202 PolarHBondContact O-N 3.32Å; L202-Y238 HydrophobicContact CD1-CE1 4.26Å
203	V	55.5	Low	58	Low	28 Å²	28	64.9 Å²	64.9	17%	0.17	36%	0.362	C	S	.	.	S	Bend	trans	-132.9	140.5	-176.9	-173.9	0	0	0	0	109	L59 A196 E197 V207	L59-V203 HydrophobicContact CD1-CG2 4.4Å; A196-V203 HydrophobicContact CB-CG2 4.07Å; A196-V203 PolarHBondContact O-N 2.79Å; E197-V203 WeakPolarHBondContact CA-O 3.49Å; E197-V203 HydrophobicContact CG-CB 4.16Å; E197-V203 HydrophobicContact CG-CG1 4.39Å; V203-V207 HydrophobicContact CG1-CB 3.83Å; V203-V207 HydrophobicContact CG1-CG1 4Å; V203-V207 HydrophobicContact CG1-CG2 4.05Å
204	P	52.4	Low	59.3	Low	83 Å²	83	63.8 Å²	63.8	54%	0.539	36%	0.355	S	S	.	.			trans	-55.9	146.9	172.4	-23.2	33	0	0	0	112.1	V207	P204-V207 HydrophobicContact CB-CG2 3.88Å; P204-V207 HydrophobicContact CG-CG2 4.33Å; P204-V207 VanDerWaalsContact O-CG2 3.25Å; P204-V207 WeakPolarHBondContact O-CG2 3.46Å
205	K	54.8	Low	61.1	Low	161 Å²	161	58.6 Å²	58.6	70%	0.7	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	137.6	-179.6	-68.4	-174.6	177.1	-175.2	0	111.9	E197 N198	E197-K205 HydrophobicContact CB-CG 4.47Å; E197-K205 WeakPolarHBondContact OE2-CA 3.15Å; N198-K205 WeakPolarHBondContact OD1-CE 3.29Å
206	G	61.6	Low	63.1	Low	68 Å²	68	57.7 Å²	57.7	70%	0.701	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	10.8	174.5	0	0	0	0	0	114.9	E197 H208	E197-G206 PolarHBondContact OE2-N 3.39Å; G206-H208 VanDerWaalsContact C-N 3.33Å
207	V	55.2	Low	64.8	Low	71 Å²	71	62.4 Å²	62.4	43%	0.43	35%	0.351	S	S	.	.			trans	-70.7	-32.5	177.9	169.5	0	0	0	0	111	E197 V203 P204	E197-V207 PolarHBondContact OE1-N 3.17Å; V203-V207 HydrophobicContact CG1-CB 3.83Å; V203-V207 HydrophobicContact CG1-CG1 4Å; V203-V207 HydrophobicContact CG1-CG2 4.05Å; P204-V207 HydrophobicContact CB-CG2 3.88Å; P204-V207 HydrophobicContact CG-CG2 4.33Å; P204-V207 VanDerWaalsContact O-CG2 3.25Å; P204-V207 WeakPolarHBondContact O-CG2 3.46Å
208	H	58.4	Low	66.2	Low	42 Å²	42	65.3 Å²	65.3	19%	0.194	37%	0.367	C	S	.	.			trans	-107.1	121.7	-175.8	-57.3	110.9	0	0	0	113.6	M182 A192 V193 E197 G206 F213	M182-H208 VanDerWaalsContact SD-CD2 3.53Å; A192-H208 PolarHBondContact O-ND1 2.94Å; V193-H208 HydrophobicContact CB-CB 4.28Å; V193-H208 HydrophobicContact CG1-CB 4.14Å; V193-H208 HydrophobicContact CG2-CB 3.59Å; E197-H208 IonicContact OE1-CG 3.21Å; E197-H208 PolarHBondContact OE1-N 2.71Å; E197-H208 IonicContact OE1-ND1 3.1Å; E197-H208 PolarHBondContact OE1-ND1 3.43Å; G206-H208 VanDerWaalsContact C-N 3.33Å; H208-F213 HydrophobicContact CB-CE1 4.47Å; H208-F213 HydrophobicContact CB-CZ 4.11Å
209	D	58.9	Low	68.4	Low	76 Å²	76	61.9 Å²	61.9	41%	0.406	35%	0.348	S	S	.	.			trans	-105.7	107.7	170.5	-177.7	-4.2	0	0	0	110	E211 K212	D209-E211 PolarHBondContact O-N 2.53Å; D209-E211 PolarHBondContact OD1-N 2.99Å; D209-E211 VanDerWaalsContact OD1-N 3.15Å; D209-K212 HydrophobicContact CB-CD 3.97Å; D209-K212 HydrophobicContact CB-CG 4.06Å; D209-K212 WeakPolarHBondContact O-CB 3.45Å; D209-K212 PolarHBondContact O-N 3.33Å; D209-K212 VanDerWaalsContact OD2-CE 3.24Å; D209-K212 WeakPolarHBondContact OD2-CE 3.5Å; D209-K212 IonicContact OD2-NZ 2.63Å
210	W	55.4	Low	71.1	Confident	43 Å²	43	61.3 Å²	61.3	16%	0.163	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-58.3	-30.1	-176.2	177.4	76.4	0	0	0	113.9	K184 T185 R189 K212 F213	K184-W210 HydrophobicContact CD-CZ2 4.5Å; K184-W210 HydrophobicContact CG-CD2 4.23Å; K184-W210 HydrophobicContact CG-CH2 4.17Å; K184-W210 HydrophobicContact CG-CZ2 3.63Å; T185-W210 PolarHBondContact O-NE1 3.05Å; R189-W210 HydrophobicContact CB-CB 4.43Å; R189-W210 VanDerWaalsContact CB-CD1 3.43Å; R189-W210 HydrophobicContact CB-CG 3.9Å; R189-W210 HydrophobicContact CG-CB 4.04Å; R189-W210 HydrophobicContact CG-CG 3.92Å; W210-K212 PolarHBondContact O-N 2.89Å; W210-K212 VanDerWaalsContact O-N 3.12Å; W210-F213 HydrophobicContact CB-CE2 4.48Å; W210-F213 AromaticContact CD1-CD2 3.59Å; W210-F213 AromaticContact CD1-CE2 3.9Å; W210-F213 HydrophobicContact CG-CD2 4.35Å; W210-F213 PolarHBondContact O-N 3Å
211	E	62.8	Low	72.9	Confident	113 Å²	113	59.4 Å²	59.4	53%	0.528	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-63.1	-21.2	178	-73.9	-62.8	157.9	0	0	112	K184 D209	K184-E211 WeakPolarHBondContact CE-OE2 3.34Å; K184-E211 PolarHBondContact NZ-O 2.92Å; K184-E211 IonicContact NZ-OE2 3.27Å; K184-E211 PolarHBondContact NZ-OE2 3.23Å; D209-E211 PolarHBondContact O-N 2.53Å; D209-E211 PolarHBondContact OD1-N 2.99Å; D209-E211 VanDerWaalsContact OD1-N 3.15Å
212	K	64.8	Low	74.8	Confident	93 Å²	93	57.7 Å²	57.7	40%	0.404	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-89.9	-4.2	-178.7	-54	-177.2	-176.9	165.6	0	114.8	E155 R160 D209 W210	E155-K212 WeakPolarHBondContact CA-O 3.43Å; E155-K212 WeakPolarHBondContact O-CB 3.33Å; E155-K212 VanDerWaalsContact O-CD 3.32Å; E155-K212 WeakPolarHBondContact O-CD 3.44Å; R160-K212 PolarHBondContact NH2-O 3.39Å; D209-K212 HydrophobicContact CB-CD 3.97Å; D209-K212 HydrophobicContact CB-CG 4.06Å; D209-K212 WeakPolarHBondContact O-CB 3.45Å; D209-K212 PolarHBondContact O-N 3.33Å; D209-K212 VanDerWaalsContact OD2-CE 3.24Å; D209-K212 WeakPolarHBondContact OD2-CE 3.5Å; D209-K212 IonicContact OD2-NZ 2.63Å; W210-K212 PolarHBondContact O-N 2.89Å; W210-K212 VanDerWaalsContact O-N 3.12Å
213	F	79.6	Confident	76.7	Confident	3 Å²	3	54.9 Å²	54.9	1%	0.013	30%	0.295	C	S	.	.			trans	-71.3	152.7	178	-64.2	-7.2	0	0	0	111.2	E155 M182 N183 K184 A188 V193 H208 W210	E155-F213 HydrophobicContact CB-CD1 4.25Å; M182-F213 HydrophobicContact CB-CB 4.48Å; M182-F213 HydrophobicContact CB-CD1 3.72Å; M182-F213 HydrophobicContact CB-CD2 3.85Å; M182-F213 HydrophobicContact CB-CE1 3.82Å; M182-F213 HydrophobicContact CB-CE2 3.91Å; M182-F213 HydrophobicContact CB-CG 3.75Å; M182-F213 HydrophobicContact CB-CZ 3.9Å; M182-F213 HydrophobicContact CE-CD1 4.1Å; M182-F213 HydrophobicContact CE-CE1 3.41Å; M182-F213 VanDerWaalsContact CE-CE1 3.41Å; M182-F213 HydrophobicContact CE-CZ 3.93Å; M182-F213 HydrophobicContact CG-CE1 4.25Å; M182-F213 HydrophobicContact CG-CE2 4.46Å; M182-F213 HydrophobicContact CG-CZ 4.16Å; M182-F213 WeakPolarHBondContact O-CB 3.39Å; M182-F213 HydrophobicContact SD-CD1 4.28Å; M182-F213 HydrophobicContact SD-CE1 3.41Å; M182-F213 WeakPolarHBondContact SD-CE1 3.36Å; M182-F213 HydrophobicContact SD-CE2 4.02Å; M182-F213 HydrophobicContact SD-CZ 3.24Å; M182-F213 WeakPolarHBondContact SD-CZ 3.5Å; N183-F213 VanDerWaalsContact O-CD2 3.28Å; N183-F213 WeakPolarHBondContact O-CD2 3.46Å; K184-F213 HydrophobicContact CB-CB 3.75Å; K184-F213 HydrophobicContact CG-CB 4.18Å; A188-F213 HydrophobicContact CB-CD2 4.39Å; A188-F213 HydrophobicContact CB-CE2 4.37Å; V193-F213 HydrophobicContact CG2-CE2 4.4Å; V193-F213 HydrophobicContact CG2-CZ 4.18Å; H208-F213 HydrophobicContact CB-CE1 4.47Å; H208-F213 HydrophobicContact CB-CZ 4.11Å; W210-F213 HydrophobicContact CB-CE2 4.48Å; W210-F213 AromaticContact CD1-CD2 3.59Å; W210-F213 AromaticContact CD1-CE2 3.9Å; W210-F213 HydrophobicContact CG-CD2 4.35Å; W210-F213 PolarHBondContact O-N 3Å
214	T	85.2	Confident	78.7	Confident	1 Å²	1	58 Å²	58	1%	0.006	31%	0.307	C	S	.	.			trans	-120.3	114.6	-173.6	-56.7	0	0	0	0	110	L154 R160 M182 D218 L219 Y255	L154-T214 HydrophobicContact CD2-CG2 3.93Å; R160-T214 WeakPolarHBondContact CD-OG1 3.36Å; R160-T214 PolarHBondContact NE-OG1 3.43Å; M182-T214 PolarHBondContact O-N 3.28Å; T214-D218 HydrophobicContact CG2-CB 4.07Å; T214-L219 HydrophobicContact CG2-CB 4.12Å; T214-Y255 WeakPolarHBondContact O-CE1 3.41Å; T214-Y255 PolarHBondContact O-OH 3.24Å
215	P	91.3	Very high	80.9	Confident	17 Å²	17	61.5 Å²	61.5	11%	0.11	31%	0.31	C	S	.	.			trans	-55.7	144.1	172.6	-22.5	31.2	0	0	0	112.7	K184 E217 D218 L219	K184-P215 HydrophobicContact CB-CG 4.04Å; P215-E217 HydrophobicContact CB-CG 4.01Å; P215-E217 WeakPolarHBondContact CB-OE1 3.48Å; P215-E217 WeakPolarHBondContact CB-OE2 3.13Å; P215-E217 PolarHBondContact O-N 2.87Å; P215-D218 HydrophobicContact CB-CB 4.43Å; P215-D218 WeakPolarHBondContact CD-OD2 3.37Å; P215-D218 WeakPolarHBondContact O-CB 3.31Å; P215-D218 PolarHBondContact O-N 3.25Å; P215-L219 PolarHBondContact O-N 2.85Å
216	P	94	Very high	82.9	Confident	8 Å²	8	56 Å²	56	5%	0.052	29%	0.287	C	S	.	.	H	α-helix	trans	-55.7	-36	178.4	-25	31.4	0	0	0	114	N183 D218 K220 I233 Y255	N183-P216 WeakPolarHBondContact ND2-CD 3.17Å; N183-P216 WeakPolarHBondContact OD1-CD 3.16Å; P216-D218 VanDerWaalsContact C-N 3.33Å; P216-K220 WeakPolarHBondContact O-CB 3.36Å; P216-K220 PolarHBondContact O-N 3.17Å; P216-I233 HydrophobicContact CB-CD1 4.33Å; P216-I233 HydrophobicContact CB-CG2 3.99Å; P216-Y255 HydrophobicContact CB-CD2 4.17Å; P216-Y255 HydrophobicContact CB-CE2 4.04Å; P216-Y255 HydrophobicContact CG-CD1 3.85Å; P216-Y255 HydrophobicContact CG-CD2 4.07Å; P216-Y255 HydrophobicContact CG-CE1 3.92Å; P216-Y255 HydrophobicContact CG-CE2 4.14Å; P216-Y255 HydrophobicContact CG-CG 3.91Å
217	E	94.9	Very high	84.7	Confident	114 Å²	114	58 Å²	58	53%	0.533	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-35.1	176.9	59.5	-86.7	-153.7	0	0	112.9	P215 S221	P215-E217 HydrophobicContact CB-CG 4.01Å; P215-E217 WeakPolarHBondContact CB-OE1 3.48Å; P215-E217 WeakPolarHBondContact CB-OE2 3.13Å; P215-E217 PolarHBondContact O-N 2.87Å; E217-S221 VanDerWaalsContact O-CB 3.3Å; E217-S221 WeakPolarHBondContact O-CB 3.38Å; E217-S221 PolarHBondContact O-N 2.71Å; E217-S221 PolarHBondContact O-OG 3.27Å
218	D	95.2	Very high	86.7	Confident	75 Å²	75	55 Å²	55	40%	0.401	26%	0.263	S	S	.	.	H	α-helix	trans	-71.2	-49.6	178.6	-72.1	-4.2	0	0	0	109.6	T214 P215 P216 K220 S221 M222	T214-D218 HydrophobicContact CG2-CB 4.07Å; P215-D218 HydrophobicContact CB-CB 4.43Å; P215-D218 WeakPolarHBondContact CD-OD2 3.37Å; P215-D218 WeakPolarHBondContact O-CB 3.31Å; P215-D218 PolarHBondContact O-N 3.25Å; P216-D218 VanDerWaalsContact C-N 3.33Å; D218-K220 VanDerWaalsContact C-N 3.33Å; D218-K220 PolarHBondContact O-N 3.49Å; D218-S221 PolarHBondContact O-N 3.06Å; D218-S221 VanDerWaalsContact O-N 3.14Å; D218-M222 HydrophobicContact CB-CE 4.27Å; D218-M222 VanDerWaalsContact O-CG 3.3Å; D218-M222 WeakPolarHBondContact O-CG 3.49Å; D218-M222 PolarHBondContact O-N 2.99Å
219	L	97	Very high	88.6	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-41.5	177.2	179.5	55.8	0	0	0	111.4	L154 V164 Y179 T214 P215 S221 M222 L223 Y255 L257	L154-L219 HydrophobicContact CD2-CD1 3.85Å; L154-L219 HydrophobicContact CD2-CD2 4.05Å; L154-L219 HydrophobicContact CD2-CG 4.37Å; V164-L219 HydrophobicContact CG2-CD1 3.73Å; Y179-L219 HydrophobicContact CD1-CD2 4.46Å; Y179-L219 HydrophobicContact CD2-CD2 4.2Å; Y179-L219 HydrophobicContact CG-CD2 3.89Å; T214-L219 HydrophobicContact CG2-CB 4.12Å; P215-L219 PolarHBondContact O-N 2.85Å; L219-S221 VanDerWaalsContact C-N 3.34Å; L219-S221 PolarHBondContact O-N 3.23Å; L219-M222 PolarHBondContact O-N 3.35Å; L219-L223 HydrophobicContact CD1-CD1 4.06Å; L219-L223 HydrophobicContact CD1-CG 4.29Å; L219-L223 HydrophobicContact CG-CD1 4.03Å; L219-L223 WeakPolarHBondContact O-CG 3.45Å; L219-L223 PolarHBondContact O-N 2.86Å; L219-Y255 HydrophobicContact CD2-CE2 4.08Å; L219-L257 HydrophobicContact CB-CD1 4.46Å; L219-L257 HydrophobicContact CD2-CB 4.31Å; L219-L257 HydrophobicContact CD2-CD1 4.12Å; L219-L257 HydrophobicContact CG-CD1 4.07Å
220	K	98.2	Very high	90.5	Very high	80 Å²	80	53 Å²	53	35%	0.348	26%	0.261	S	S	.	.	H	α-helix	trans	-56.1	-49.2	172.4	173.2	179.2	176.8	-168.2	0	111	P216 D218 M222 L223 E224 V230	P216-K220 WeakPolarHBondContact O-CB 3.36Å; P216-K220 PolarHBondContact O-N 3.17Å; D218-K220 VanDerWaalsContact C-N 3.33Å; D218-K220 PolarHBondContact O-N 3.49Å; K220-M222 VanDerWaalsContact C-N 3.35Å; K220-M222 PolarHBondContact O-N 2.61Å; K220-L223 PolarHBondContact O-N 3.24Å; K220-E224 VanDerWaalsContact CE-CD 3.43Å; K220-E224 WeakPolarHBondContact CE-OE1 3.15Å; K220-E224 WeakPolarHBondContact CE-OE2 3.43Å; K220-E224 HydrophobicContact CG-CG 4.34Å; K220-E224 IonicContact NZ-OE1 3.41Å; K220-E224 WeakPolarHBondContact O-CG 3.28Å; K220-E224 PolarHBondContact O-N 3.19Å; K220-V230 HydrophobicContact CB-CG2 4.2Å; K220-V230 HydrophobicContact CG-CB 4.45Å; K220-V230 HydrophobicContact CG-CG2 3.84Å
221	S	98	Very high	92.5	Very high	54 Å²	54	57.9 Å²	57.9	38%	0.378	28%	0.284	S	S	.	.	H	α-helix	trans	-65.7	-35.1	-178.5	-59.5	0	0	0	0	112.8	E217 D218 L219 R225	E217-S221 VanDerWaalsContact O-CB 3.3Å; E217-S221 WeakPolarHBondContact O-CB 3.38Å; E217-S221 PolarHBondContact O-N 2.71Å; E217-S221 PolarHBondContact O-OG 3.27Å; D218-S221 PolarHBondContact O-N 3.06Å; D218-S221 VanDerWaalsContact O-N 3.14Å; L219-S221 VanDerWaalsContact C-N 3.34Å; L219-S221 PolarHBondContact O-N 3.23Å; S221-R225 WeakPolarHBondContact O-CG 3.42Å; S221-R225 PolarHBondContact O-N 2.68Å; S221-R225 PolarHBondContact O-NE 2.63Å
222	M	98.3	Very high	94	Very high	23 Å²	23	55.7 Å²	55.7	11%	0.113	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-45.3	172.1	-65.9	174.9	-161.2	0	0	111.3	R160 E161 V164 D218 L219 K220 H226	R160-M222 HydrophobicContact CB-CE 4.15Å; R160-M222 HydrophobicContact CB-SD 3.98Å; E161-M222 WeakPolarHBondContact OE2-CG 3.35Å; V164-M222 HydrophobicContact CB-CB 4.2Å; V164-M222 HydrophobicContact CG1-CB 3.94Å; V164-M222 HydrophobicContact CG2-CB 4.17Å; V164-M222 HydrophobicContact CG2-SD 4.17Å; D218-M222 HydrophobicContact CB-CE 4.27Å; D218-M222 VanDerWaalsContact O-CG 3.3Å; D218-M222 WeakPolarHBondContact O-CG 3.49Å; D218-M222 PolarHBondContact O-N 2.99Å; L219-M222 PolarHBondContact O-N 3.35Å; K220-M222 VanDerWaalsContact C-N 3.35Å; K220-M222 PolarHBondContact O-N 2.61Å; M222-H226 PolarHBondContact O-N 3.1Å; M222-H226 PolarHBondContact O-ND1 2.99Å
223	L	98.6	Very high	95.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67	-43.6	179.7	-75	164.6	0	0	0	112.4	V164 V168 L177 Y179 L219 K220 R225 H226 C228 V230 L257 A259	V164-L223 HydrophobicContact CG1-CD2 3.74Å; V164-L223 HydrophobicContact CG1-CG 4Å; V168-L223 HydrophobicContact CG2-CD2 4.04Å; L177-L223 HydrophobicContact CD2-CD2 4.21Å; Y179-L223 HydrophobicContact CD2-CD1 4.25Å; Y179-L223 HydrophobicContact CE2-CD1 3.95Å; Y179-L223 HydrophobicContact CE2-CD2 3.88Å; Y179-L223 HydrophobicContact CE2-CG 4.44Å; L219-L223 HydrophobicContact CD1-CD1 4.06Å; L219-L223 HydrophobicContact CD1-CG 4.29Å; L219-L223 HydrophobicContact CG-CD1 4.03Å; L219-L223 WeakPolarHBondContact O-CG 3.45Å; L219-L223 PolarHBondContact O-N 2.86Å; K220-L223 PolarHBondContact O-N 3.24Å; L223-R225 VanDerWaalsContact C-N 3.33Å; L223-R225 PolarHBondContact O-N 2.84Å; L223-H226 CarbonylContact O-C 3.51Å; L223-H226 WeakPolarHBondContact O-CA 3.33Å; L223-H226 PolarHBondContact O-N 3.42Å; L223-C228 HydrophobicContact CB-CB 4.11Å; L223-C228 HydrophobicContact CD2-CB 4.38Å; L223-C228 WeakPolarHBondContact O-CB 3.3Å; L223-C228 PolarHBondContact O-N 3.21Å; L223-C228 VanDerWaalsContact O-N 3.07Å; L223-V230 HydrophobicContact CB-CG2 4.47Å; L223-V230 HydrophobicContact CD1-CG2 4.4Å; L223-L257 HydrophobicContact CD1-CD1 4.31Å; L223-L257 HydrophobicContact CD1-CD2 3.28Å; L223-L257 HydrophobicContact CD1-CG 4.46Å; L223-A259 HydrophobicContact CD1-CB 4.07Å
224	E	98.3	Very high	96.4	Very high	93 Å²	93	57.1 Å²	57.1	44%	0.435	28%	0.283	S	S	.	.	H	α-helix	trans	-64.1	-36.7	179.7	-73.4	178.1	163	0	0	112.2	K220 H226 N227 C228	K220-E224 VanDerWaalsContact CE-CD 3.43Å; K220-E224 WeakPolarHBondContact CE-OE1 3.15Å; K220-E224 WeakPolarHBondContact CE-OE2 3.43Å; K220-E224 HydrophobicContact CG-CG 4.34Å; K220-E224 IonicContact NZ-OE1 3.41Å; K220-E224 WeakPolarHBondContact O-CG 3.28Å; K220-E224 PolarHBondContact O-N 3.19Å; E224-H226 PolarHBondContact O-N 3.44Å; E224-N227 PolarHBondContact O-N 2.9Å; E224-C228 WeakPolarHBondContact CA-O 3.3Å
225	R	98.3	Very high	96.9	Very high	157 Å²	157	57 Å²	57	59%	0.592	28%	0.283	S	S	*	.	H	α-helix	trans	-63.1	-25.9	172.3	-80.2	-179.1	-73.1	160.9	0	113.5	E161 S221 L223	E161-R225 VanDerWaalsContact CD-NH2 3.34Å; E161-R225 IonicContact OE1-CZ 2.62Å; E161-R225 IonicContact OE1-NE 3.38Å; E161-R225 IonicContact OE1-NH1 3.69Å; E161-R225 PolarHBondContact OE1-NH1 3.39Å; E161-R225 IonicContact OE1-NH2 2.85Å; E161-R225 PolarHBondContact OE1-NH2 3.24Å; E161-R225 IonicContact OE2-CZ 2.8Å; E161-R225 IonicContact OE2-NH1 3.17Å; E161-R225 PolarHBondContact OE2-NH1 3.33Å; E161-R225 IonicContact OE2-NH2 3.78Å; E161-R225 PolarHBondContact OE2-NH2 3.47Å; S221-R225 WeakPolarHBondContact O-CG 3.42Å; S221-R225 PolarHBondContact O-N 2.68Å; S221-R225 PolarHBondContact O-NE 2.63Å; L223-R225 VanDerWaalsContact C-N 3.33Å; L223-R225 PolarHBondContact O-N 2.84Å
226	H	98.1	Very high	97.1	Very high	45 Å²	45	56.3 Å²	56.3	21%	0.208	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	31.5	177.5	-66.2	95	0	0	0	112.6	E161 Q165 V168 M222 L223 E224 C228	E161-H226 IonicContact OE1-CE1 3.52Å; E161-H226 PolarHBondContact OE1-CE1 3.12Å; E161-H226 IonicContact OE1-ND1 2.72Å; Q165-H226 VanDerWaalsContact CB-NE2 3.33Å; Q165-H226 WeakPolarHBondContact CB-NE2 3.41Å; Q165-H226 WeakPolarHBondContact CG-NE2 3.47Å; V168-H226 HydrophobicContact CB-CB 4.3Å; V168-H226 HydrophobicContact CG1-CB 4.2Å; V168-H226 WeakPolarHBondContact CG1-O 3.42Å; V168-H226 HydrophobicContact CG2-CB 4.1Å; M222-H226 PolarHBondContact O-N 3.1Å; M222-H226 PolarHBondContact O-ND1 2.99Å; L223-H226 CarbonylContact O-C 3.51Å; L223-H226 WeakPolarHBondContact O-CA 3.33Å; L223-H226 PolarHBondContact O-N 3.42Å; E224-H226 PolarHBondContact O-N 3.44Å; H226-C228 VanDerWaalsContact C-N 3.3Å; H226-C228 PolarHBondContact O-N 3.43Å
227	N	97.9	Very high	97.1	Very high	110 Å²	110	58 Å²	58	59%	0.588	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	38.3	175.9	-167.5	49	0	0	0	113.5	E224 G262	E224-N227 PolarHBondContact O-N 2.9Å; N227-G262 PolarHBondContact O-N 3.2Å
228	C	98.6	Very high	96.8	Very high	7 Å²	7	54.7 Å²	54.7	5%	0.047	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	144.1	171	-62.6	0	0	0	0	111.1	V168 L223 E224 H226 A259 V260	V168-C228 VanDerWaalsContact CG2-SG 3.58Å; L223-C228 HydrophobicContact CB-CB 4.11Å; L223-C228 HydrophobicContact CD2-CB 4.38Å; L223-C228 WeakPolarHBondContact O-CB 3.3Å; L223-C228 PolarHBondContact O-N 3.21Å; L223-C228 VanDerWaalsContact O-N 3.07Å; E224-C228 WeakPolarHBondContact CA-O 3.3Å; H226-C228 VanDerWaalsContact C-N 3.3Å; H226-C228 PolarHBondContact O-N 3.43Å; C228-A259 HydrophobicContact CB-CB 4.25Å; C228-V260 CarbonylContact C-O 3.59Å; C228-V260 VanDerWaalsContact CA-O 3.23Å; C228-V260 WeakPolarHBondContact CA-O 3.38Å
229	A	98.4	Very high	96.6	Very high	44 Å²	44	53.7 Å²	53.7	36%	0.364	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	117.8	171.6	0	0	0	0	0	109.8	K231 A259 V260	A229-K231 PolarHBondContact O-N 3.12Å; A229-A259 WeakPolarHBondContact O-CA 3.31Å; A229-V260 HydrophobicContact CB-CG1 4.05Å; A229-V260 PolarHBondContact N-O 3.17Å; A229-V260 PolarHBondContact O-N 2.83Å
230	V	98.2	Very high	96.1	Very high	33 Å²	33	57.5 Å²	57.5	20%	0.2	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	127	175.5	-179.7	0	0	0	0	109.9	K220 L223 I233 L257 A259	K220-V230 HydrophobicContact CB-CG2 4.2Å; K220-V230 HydrophobicContact CG-CB 4.45Å; K220-V230 HydrophobicContact CG-CG2 3.84Å; L223-V230 HydrophobicContact CB-CG2 4.47Å; L223-V230 HydrophobicContact CD1-CG2 4.4Å; V230-I233 HydrophobicContact CG1-CD1 4.09Å; V230-I233 HydrophobicContact CG1-CG1 3.71Å; V230-L257 HydrophobicContact CG1-CD1 4.09Å; V230-L257 HydrophobicContact CG1-CD2 4.14Å; V230-L257 HydrophobicContact CG1-CG 3.9Å; V230-L257 HydrophobicContact CG2-CD1 4.31Å; V230-L257 HydrophobicContact CG2-CD2 4.19Å; V230-A259 HydrophobicContact CG2-CB 4.24Å
231	K	96.2	Very high	95.8	Very high	146 Å²	146	61.5 Å²	61.5	64%	0.635	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	-31.3	-178.4	-63.3	-59.5	-177.9	-178.3	0	112.9	A229 C258 V260	A229-K231 PolarHBondContact O-N 3.12Å; K231-C258 PolarHBondContact N-O 3.35Å; K231-V260 HydrophobicContact CD-CG1 4.36Å; K231-V260 HydrophobicContact CG-CB 4.46Å; K231-V260 HydrophobicContact CG-CG1 4.28Å
232	M	95.4	Very high	95.6	Very high	66 Å²	66	62.5 Å²	62.5	33%	0.325	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	138.9	-175.6	-178.4	-176.6	-71.1	0	0	110.2	H234 L257 C258	M232-H234 PolarHBondContact SD-ND1 2.81Å; M232-H234 VanDerWaalsContact SD-ND1 3.41Å; M232-L257 WeakPolarHBondContact O-CA 3.28Å; M232-C258 HydrophobicContact CB-CB 4.28Å; M232-C258 PolarHBondContact N-O 3.2Å; M232-C258 PolarHBondContact O-N 3.22Å
233	I	97.2	Very high	95.2	Very high	53 Å²	53	63.8 Å²	63.8	27%	0.272	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	112.2	163	-52.7	-179.3	0	0	0	106.4	P216 V230 T251 Y255 A256 L257	P216-I233 HydrophobicContact CB-CD1 4.33Å; P216-I233 HydrophobicContact CB-CG2 3.99Å; V230-I233 HydrophobicContact CG1-CD1 4.09Å; V230-I233 HydrophobicContact CG1-CG1 3.71Å; I233-T251 HydrophobicContact CG2-CG2 3.85Å; I233-Y255 HydrophobicContact CG2-CD2 4.02Å; I233-A256 WeakPolarHBondContact CA-O 3.02Å; I233-L257 HydrophobicContact CD1-CD1 3.95Å; I233-L257 HydrophobicContact CG1-CD1 3.9Å; I233-L257 HydrophobicContact CG1-CG 4.03Å
234	H	96.5	Very high	95.1	Very high	73 Å²	73	69.7 Å²	69.7	34%	0.338	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.5	177	-74.1	169	0	0	0	110.1	M232 W247 Y255 A256	M232-H234 PolarHBondContact SD-ND1 2.81Å; M232-H234 VanDerWaalsContact SD-ND1 3.41Å; H234-W247 HydrophobicContact CB-CE3 4.02Å; H234-W247 HydrophobicContact CB-CZ3 4.42Å; H234-Y255 CarbonylContact O-C 3.6Å; H234-Y255 WeakPolarHBondContact O-CA 3.43Å; H234-Y255 WeakPolarHBondContact O-CB 3.47Å; H234-A256 PolarHBondContact N-O 3.36Å; H234-A256 PolarHBondContact O-N 2.86Å
235	G	96.5	Very high	94.9	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	162.9	166.2	0	0	0	0	0	111.8	T248 Y250 H254	G235-T248 VanDerWaalsContact C-CG2 3.46Å; G235-T248 CarbonylContact C-O 3.58Å; G235-T248 WeakPolarHBondContact CA-O 3.24Å; G235-T248 PolarHBondContact N-O 3.5Å; G235-T248 WeakPolarHBondContact O-CG2 3.4Å; G235-T248 PolarHBondContact O-N 3.36Å; G235-T248 VanDerWaalsContact O-O 3.06Å; G235-Y250 WeakPolarHBondContact CA-O 3.21Å; G235-H254 VanDerWaalsContact CA-O 3.25Å; G235-H254 WeakPolarHBondContact CA-O 3.49Å
236	F	95.3	Very high	94.8	Very high	1 Å²	1	63.8 Å²	63.8	0%	0.004	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	144	166.4	57.6	-91.9	0	0	0	111.2	L63 I66 T180 W245 F246 W247 H254 Y255 A256	L63-F236 HydrophobicContact CD1-CD2 3.83Å; L63-F236 HydrophobicContact CD1-CE2 3.65Å; L63-F236 HydrophobicContact CD1-CZ 4.36Å; L63-F236 HydrophobicContact CD2-CE2 4.46Å; I66-F236 HydrophobicContact CD1-CB 3.55Å; I66-F236 HydrophobicContact CD1-CD1 4.44Å; I66-F236 HydrophobicContact CD1-CD2 4.1Å; I66-F236 HydrophobicContact CD1-CG 3.8Å; T180-F236 HydrophobicContact CG2-CE1 4.15Å; F236-W245 HydrophobicContact CD2-CD2 4.42Å; F236-W245 AromaticContact CD2-CE3 3.51Å; F236-W245 HydrophobicContact CD2-CE3 3.51Å; F236-W245 AromaticContact CD2-CZ3 3.63Å; F236-W245 HydrophobicContact CD2-CZ3 3.63Å; F236-W245 HydrophobicContact CE2-CE3 4.05Å; F236-W245 HydrophobicContact CE2-CH2 4.46Å; F236-W245 AromaticContact CE2-CZ3 3.81Å; F236-W245 HydrophobicContact CE2-CZ3 3.81Å; F236-F246 VanDerWaalsContact CA-O 3.28Å; F236-F246 WeakPolarHBondContact CA-O 3.41Å; F236-W247 HydrophobicContact CB-CE3 4.02Å; F236-W247 HydrophobicContact CB-CZ3 4.14Å; F236-W247 AromaticContact CD1-CZ3 3.99Å; F236-W247 HydrophobicContact CD1-CZ3 3.99Å; F236-W247 HydrophobicContact CG-CZ3 4.44Å; F236-H254 HydrophobicContact CD1-CB 4.15Å; F236-H254 HydrophobicContact CD2-CB 3.8Å; F236-H254 HydrophobicContact CE1-CB 3.76Å; F236-H254 HydrophobicContact CE2-CB 3.37Å; F236-H254 AromaticContact CE2-CG 3.78Å; F236-H254 HydrophobicContact CG-CB 4.18Å; F236-H254 HydrophobicContact CZ-CB 3.36Å; F236-H254 PolarHBondContact N-O 3.46Å; F236-Y255 VanDerWaalsContact CE1-C 3.42Å; F236-Y255 WeakPolarHBondContact CE1-O 3.16Å; F236-A256 HydrophobicContact CD1-CB 4.14Å; F236-A256 HydrophobicContact CE1-CB 4.17Å
237	L	93.2	Very high	94.8	Very high	43 Å²	43	65.9 Å²	65.9	23%	0.225	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151.2	-175.4	-62.3	176.5	0	0	0	110.4	W245 F246 T248 I253	L237-W245 VanDerWaalsContact C-CE3 3.47Å; L237-W245 CarbonylContact O-C 3.51Å; L237-W245 VanDerWaalsContact O-CA 3.28Å; L237-W245 WeakPolarHBondContact O-CA 3.5Å; L237-F246 HydrophobicContact CB-CE1 3.85Å; L237-F246 HydrophobicContact CB-CE2 3.99Å; L237-F246 HydrophobicContact CB-CZ 3.57Å; L237-F246 HydrophobicContact CD1-CE2 4.14Å; L237-F246 HydrophobicContact CD1-CZ 4.03Å; L237-F246 HydrophobicContact CG-CZ 4.39Å; L237-F246 PolarHBondContact N-O 3.16Å; L237-F246 WeakPolarHBondContact O-CD1 3.47Å; L237-F246 PolarHBondContact O-N 3.18Å; L237-T248 HydrophobicContact CD1-CG2 3.99Å; L237-T248 HydrophobicContact CG-CG2 3.79Å; L237-I253 HydrophobicContact CD2-CB 4.44Å; L237-I253 HydrophobicContact CD2-CD1 3.63Å
238	Y	88.6	Confident	94.7	Very high	46 Å²	46	62.4 Å²	62.4	18%	0.18	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	130.6	178.9	175.6	-116.2	0	0	0	110.6	L59 L202 P240 N243 W245	L59-Y238 HydrophobicContact CD2-CD1 4.02Å; L59-Y238 HydrophobicContact CD2-CD2 3.88Å; L59-Y238 HydrophobicContact CD2-CE1 3.61Å; L59-Y238 HydrophobicContact CD2-CE2 3.45Å; L59-Y238 VanDerWaalsContact CD2-CE2 3.45Å; L59-Y238 HydrophobicContact CD2-CG 4.14Å; L202-Y238 HydrophobicContact CD1-CE1 4.26Å; Y238-P240 HydrophobicContact CD1-CB 4.4Å; Y238-P240 VanDerWaalsContact CE1-CA 3.5Å; Y238-P240 HydrophobicContact CE1-CB 3.81Å; Y238-P240 WeakPolarHBondContact O-CD 3.46Å; Y238-N243 PolarHBondContact OH-OD1 3.27Å; Y238-W245 HydrophobicContact CD2-CD2 4.06Å; Y238-W245 AromaticContact CD2-CE2 3.73Å; Y238-W245 HydrophobicContact CD2-CG 4.34Å; Y238-W245 HydrophobicContact CD2-CZ2 4.16Å; Y238-W245 AromaticContact CD2-NE1 3.72Å; Y238-W245 HydrophobicContact CG-CD2 4.43Å; Y238-W245 HydrophobicContact CG-CZ2 4.24Å
239	N	90.9	Very high	94.5	Very high	53 Å²	53	66.6 Å²	66.6	28%	0.283	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	110.1	169.1	-176.3	-18.7	0	0	0	109.8	L241 T242 N243 Q244 F246	N239-L241 VanDerWaalsContact C-N 3.29Å; N239-L241 PolarHBondContact O-N 3.31Å; N239-L241 WeakPolarHBondContact OD1-CB 3.26Å; N239-L241 PolarHBondContact OD1-N 3.35Å; N239-T242 WeakPolarHBondContact CB-OG1 3.4Å; N239-T242 VanDerWaalsContact CG-OG1 3.32Å; N239-T242 PolarHBondContact ND2-OG1 2.56Å; N239-T242 PolarHBondContact O-N 2.99Å; N239-T242 PolarHBondContact OD1-N 3.49Å; N239-N243 WeakPolarHBondContact O-CA 3.49Å; N239-N243 PolarHBondContact O-N 2.91Å; N239-Q244 PolarHBondContact N-O 2.8Å; N239-Q244 PolarHBondContact O-N 3.01Å; N239-F246 HydrophobicContact CB-CE1 4.27Å
240	P	88	Confident	94.3	Very high	81 Å²	81	69.8 Å²	69.8	53%	0.526	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-23.9	-177.7	27.7	-34.7	0	0	0	113.9	Y238	Y238-P240 HydrophobicContact CD1-CB 4.4Å; Y238-P240 VanDerWaalsContact CE1-CA 3.5Å; Y238-P240 HydrophobicContact CE1-CB 3.81Å; Y238-P240 WeakPolarHBondContact O-CD 3.46Å
241	L	91.4	Very high	94	Very high	164 Å²	164	70 Å²	70	86%	0.859	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-36.9	-179.7	-61.4	178.4	0	0	0	111.8	N239	N239-L241 VanDerWaalsContact C-N 3.29Å; N239-L241 PolarHBondContact O-N 3.31Å; N239-L241 WeakPolarHBondContact OD1-CB 3.26Å; N239-L241 PolarHBondContact OD1-N 3.35Å
242	T	93.4	Very high	93.6	Very high	74 Å²	74	63.4 Å²	63.4	45%	0.454	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-8.7	-179.1	61.4	0	0	0	0	113.2	N239 Q244	N239-T242 WeakPolarHBondContact CB-OG1 3.4Å; N239-T242 VanDerWaalsContact CG-OG1 3.32Å; N239-T242 PolarHBondContact ND2-OG1 2.56Å; N239-T242 PolarHBondContact O-N 2.99Å; N239-T242 PolarHBondContact OD1-N 3.49Å; T242-Q244 PolarHBondContact O-N 2.88Å
243	N	90.8	Very high	93.2	Very high	51 Å²	51	61 Å²	61	27%	0.273	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	43.1	-171.3	-174.3	52.8	0	0	0	111.8	K58 S62 Y238 N239	K58-N243 WeakPolarHBondContact CE-OD1 3.47Å; S62-N243 WeakPolarHBondContact CB-O 3.2Å; Y238-N243 PolarHBondContact OH-OD1 3.27Å; N239-N243 WeakPolarHBondContact O-CA 3.49Å; N239-N243 PolarHBondContact O-N 2.91Å
244	Q	94.9	Very high	92.9	Very high	123 Å²	123	59.8 Å²	59.8	58%	0.575	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	147.2	-178.5	-71.6	179.5	-31.5	0	0	110.9	N239 T242	N239-Q244 PolarHBondContact N-O 2.8Å; N239-Q244 PolarHBondContact O-N 3.01Å; T242-Q244 PolarHBondContact O-N 2.88Å
245	W	95.6	Very high	92.8	Very high	30 Å²	30	56.3 Å²	56.3	11%	0.114	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	148.7	170.7	-62.5	82.4	0	0	0	110.1	L59 S62 L63 I66 F236 L237 Y238 H254	L59-W245 HydrophobicContact CB-CZ2 4.21Å; L59-W245 HydrophobicContact CD2-CZ2 4.39Å; L59-W245 PolarHBondContact O-NE1 3.43Å; L59-W245 VanDerWaalsContact O-NE1 3.08Å; S62-W245 PolarHBondContact OG-NE1 2.86Å; L63-W245 HydrophobicContact CB-CG 4.41Å; L63-W245 HydrophobicContact CD1-CB 4.18Å; L63-W245 HydrophobicContact CD1-CD2 3.68Å; L63-W245 HydrophobicContact CD1-CE3 4.09Å; L63-W245 HydrophobicContact CD1-CG 3.75Å; L63-W245 VanDerWaalsContact N-CD1 3.27Å; I66-W245 HydrophobicContact CD1-CB 3.87Å; I66-W245 HydrophobicContact CG1-CB 4.1Å; I66-W245 HydrophobicContact CG2-CB 4.15Å; I66-W245 VanDerWaalsContact CG2-O 3.25Å; I66-W245 WeakPolarHBondContact CG2-O 3.33Å; F236-W245 HydrophobicContact CD2-CD2 4.42Å; F236-W245 AromaticContact CD2-CE3 3.51Å; F236-W245 HydrophobicContact CD2-CE3 3.51Å; F236-W245 AromaticContact CD2-CZ3 3.63Å; F236-W245 HydrophobicContact CD2-CZ3 3.63Å; F236-W245 HydrophobicContact CE2-CE3 4.05Å; F236-W245 HydrophobicContact CE2-CH2 4.46Å; F236-W245 AromaticContact CE2-CZ3 3.81Å; F236-W245 HydrophobicContact CE2-CZ3 3.81Å; L237-W245 VanDerWaalsContact C-CE3 3.47Å; L237-W245 CarbonylContact O-C 3.51Å; L237-W245 VanDerWaalsContact O-CA 3.28Å; L237-W245 WeakPolarHBondContact O-CA 3.5Å; Y238-W245 HydrophobicContact CD2-CD2 4.06Å; Y238-W245 AromaticContact CD2-CE2 3.73Å; Y238-W245 HydrophobicContact CD2-CG 4.34Å; Y238-W245 HydrophobicContact CD2-CZ2 4.16Å; Y238-W245 AromaticContact CD2-NE1 3.72Å; Y238-W245 HydrophobicContact CG-CD2 4.43Å; Y238-W245 HydrophobicContact CG-CZ2 4.24Å; W245-H254 AromaticContact CZ3-CE1 3.91Å; W245-H254 AromaticContact CZ3-ND1 3.73Å
246	F	96.3	Very high	92.9	Very high	97 Å²	97	56.3 Å²	56.3	43%	0.425	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	149	176.8	62.6	-86.6	0	0	0	111.3	F236 L237 N239	F236-F246 VanDerWaalsContact CA-O 3.28Å; F236-F246 WeakPolarHBondContact CA-O 3.41Å; L237-F246 HydrophobicContact CB-CE1 3.85Å; L237-F246 HydrophobicContact CB-CE2 3.99Å; L237-F246 HydrophobicContact CB-CZ 3.57Å; L237-F246 HydrophobicContact CD1-CE2 4.14Å; L237-F246 HydrophobicContact CD1-CZ 4.03Å; L237-F246 HydrophobicContact CG-CZ 4.39Å; L237-F246 PolarHBondContact N-O 3.16Å; L237-F246 WeakPolarHBondContact O-CD1 3.47Å; L237-F246 PolarHBondContact O-N 3.18Å; N239-F246 HydrophobicContact CB-CE1 4.27Å
247	W	97.1	Very high	93	Very high	89 Å²	89	56.3 Å²	56.3	34%	0.337	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	145	177	-63.6	116.4	0	0	0	111.6	I66 W70 H234 F236 A256	I66-W247 HydrophobicContact CB-CZ2 3.78Å; I66-W247 HydrophobicContact CD1-CD2 4.36Å; I66-W247 HydrophobicContact CD1-CE3 4.3Å; I66-W247 HydrophobicContact CD1-CH2 3.97Å; I66-W247 HydrophobicContact CD1-CZ2 4.03Å; I66-W247 HydrophobicContact CD1-CZ3 4.08Å; I66-W247 HydrophobicContact CG1-CH2 4.42Å; I66-W247 HydrophobicContact CG1-CZ2 4.14Å; W70-W247 HydrophobicContact CB-CZ2 3.93Å; W70-W247 HydrophobicContact CD2-CH2 4.11Å; W70-W247 HydrophobicContact CD2-CZ2 4.21Å; W70-W247 HydrophobicContact CE3-CH2 4.24Å; W70-W247 HydrophobicContact CG-CH2 4.32Å; W70-W247 AromaticContact CG-CZ2 3.95Å; W70-W247 HydrophobicContact CG-CZ2 3.95Å; H234-W247 HydrophobicContact CB-CE3 4.02Å; H234-W247 HydrophobicContact CB-CZ3 4.42Å; F236-W247 HydrophobicContact CB-CE3 4.02Å; F236-W247 HydrophobicContact CB-CZ3 4.14Å; F236-W247 AromaticContact CD1-CZ3 3.99Å; F236-W247 HydrophobicContact CD1-CZ3 3.99Å; F236-W247 HydrophobicContact CG-CZ3 4.44Å; W247-A256 HydrophobicContact CH2-CB 3.68Å; W247-A256 HydrophobicContact CZ3-CB 3.45Å; W247-A256 VanDerWaalsContact CZ3-CB 3.45Å
248	T	96.3	Very high	93.2	Very high	37 Å²	37	54.8 Å²	54.8	23%	0.227	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	157.5	174.5	178.8	0	0	0	0	110.3	G235 L237 Y250	G235-T248 VanDerWaalsContact C-CG2 3.46Å; G235-T248 CarbonylContact C-O 3.58Å; G235-T248 WeakPolarHBondContact CA-O 3.24Å; G235-T248 PolarHBondContact N-O 3.5Å; G235-T248 WeakPolarHBondContact O-CG2 3.4Å; G235-T248 PolarHBondContact O-N 3.36Å; G235-T248 VanDerWaalsContact O-O 3.06Å; L237-T248 HydrophobicContact CD1-CG2 3.99Å; L237-T248 HydrophobicContact CG-CG2 3.79Å; T248-Y250 WeakPolarHBondContact CG2-O 3.47Å; T248-Y250 PolarHBondContact O-N 3.35Å; T248-Y250 PolarHBondContact OG1-N 3.24Å; T248-Y250 VanDerWaalsContact OG1-N 3.13Å
249	A	94.8	Very high	93.7	Very high	94 Å²	94	52.6 Å²	52.6	78%	0.777	28%	0.28	S	S	*	.	S	Bend	trans	-70.7	-17	168	0	0	0	0	0	112.3	T251	A249-T251 PolarHBondContact O-N 3.12Å
250	Y	93	Very high	94	Very high	111 Å²	111	51.4 Å²	51.4	44%	0.435	28%	0.275	S	S	.	.			trans	-82.9	103.8	-175.3	-177.2	-107.4	0	0	0	112.9	L187 G235 T248 G252 I253	L187-Y250 HydrophobicContact CD2-CE1 3.95Å; L187-Y250 WeakPolarHBondContact CD2-OH 3.19Å; G235-Y250 WeakPolarHBondContact CA-O 3.21Å; T248-Y250 WeakPolarHBondContact CG2-O 3.47Å; T248-Y250 PolarHBondContact O-N 3.35Å; T248-Y250 PolarHBondContact OG1-N 3.24Å; T248-Y250 VanDerWaalsContact OG1-N 3.13Å; Y250-G252 VanDerWaalsContact C-N 3.32Å; Y250-G252 PolarHBondContact O-N 3.18Å; Y250-I253 HydrophobicContact CE1-CD1 4.3Å; Y250-I253 HydrophobicContact CE1-CG1 4.1Å
251	T	93	Very high	94.5	Very high	39 Å²	39	49 Å²	49	24%	0.239	26%	0.256	C	S	.	.			trans	-87	7.5	-178	55.6	0	0	0	0	114.3	N183 I233 A249 I253	N183-T251 WeakPolarHBondContact CB-O 3.48Å; N183-T251 PolarHBondContact ND2-O 2.87Å; I233-T251 HydrophobicContact CG2-CG2 3.85Å; A249-T251 PolarHBondContact O-N 3.12Å; T251-I253 VanDerWaalsContact C-N 3.28Å; T251-I253 PolarHBondContact O-N 2.97Å
252	G	87.9	Confident	94.7	Very high	6 Å²	6	44.7 Å²	44.7	6%	0.062	25%	0.252	C	S	.	.	S	Bend	trans	-74.4	-7.2	-168.8	0	0	0	0	0	116.1	T185 Y250	T185-G252 VanDerWaalsContact CG2-O 3.31Å; T185-G252 WeakPolarHBondContact CG2-O 3.24Å; T185-G252 PolarHBondContact OG1-O 2.88Å; Y250-G252 VanDerWaalsContact C-N 3.32Å; Y250-G252 PolarHBondContact O-N 3.18Å
253	I	86.5	Confident	94.8	Very high	15 Å²	15	43.3 Å²	43.3	8%	0.077	24%	0.241	C	C	.	.	S	Bend	trans	-118.8	-74.6	179.1	-58.1	166	0	0	0	109.6	N183 L187 L191 L237 Y250 T251	N183-I253 PolarHBondContact N-O 3.46Å; L187-I253 HydrophobicContact CD2-CD1 4.18Å; L187-I253 HydrophobicContact CD2-CG1 4.08Å; L187-I253 HydrophobicContact CG-CG1 4.26Å; L191-I253 HydrophobicContact CD1-CD1 3.32Å; L191-I253 HydrophobicContact CD1-CG1 4.11Å; L237-I253 HydrophobicContact CD2-CB 4.44Å; L237-I253 HydrophobicContact CD2-CD1 3.63Å; Y250-I253 HydrophobicContact CE1-CD1 4.3Å; Y250-I253 HydrophobicContact CE1-CG1 4.1Å; T251-I253 VanDerWaalsContact C-N 3.28Å; T251-I253 PolarHBondContact O-N 2.97Å
254	H	90.8	Very high	95	Very high	28 Å²	28	42.8 Å²	42.8	13%	0.13	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151.7	171.3	-44	103.7	0	0	0	108.7	G235 F236 W245	G235-H254 VanDerWaalsContact CA-O 3.25Å; G235-H254 WeakPolarHBondContact CA-O 3.49Å; F236-H254 HydrophobicContact CD1-CB 4.15Å; F236-H254 HydrophobicContact CD2-CB 3.8Å; F236-H254 HydrophobicContact CE1-CB 3.76Å; F236-H254 HydrophobicContact CE2-CB 3.37Å; F236-H254 AromaticContact CE2-CG 3.78Å; F236-H254 HydrophobicContact CG-CB 4.18Å; F236-H254 HydrophobicContact CZ-CB 3.36Å; F236-H254 PolarHBondContact N-O 3.46Å; W245-H254 AromaticContact CZ3-CE1 3.91Å; W245-H254 AromaticContact CZ3-ND1 3.73Å
255	Y	95.4	Very high	95	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	152.4	172.2	71.3	-80.4	0	0	0	111.6	T180 T181 N183 T214 P216 L219 I233 H234 F236 L257	T180-Y255 WeakPolarHBondContact CA-O 3.44Å; T181-Y255 HydrophobicContact CG2-CD1 4.3Å; T181-Y255 HydrophobicContact CG2-CE1 3.44Å; T181-Y255 VanDerWaalsContact CG2-CE1 3.44Å; T181-Y255 HydrophobicContact CG2-CE2 4.16Å; T181-Y255 VanDerWaalsContact CG2-OH 3.29Å; T181-Y255 WeakPolarHBondContact CG2-OH 3.48Å; T181-Y255 PolarHBondContact N-O 3.5Å; T181-Y255 VanDerWaalsContact N-O 3.12Å; T181-Y255 PolarHBondContact O-N 3.11Å; N183-Y255 HydrophobicContact CB-CD1 4.01Å; N183-Y255 HydrophobicContact CB-CE1 4.25Å; T214-Y255 WeakPolarHBondContact O-CE1 3.41Å; T214-Y255 PolarHBondContact O-OH 3.24Å; P216-Y255 HydrophobicContact CB-CD2 4.17Å; P216-Y255 HydrophobicContact CB-CE2 4.04Å; P216-Y255 HydrophobicContact CG-CD1 3.85Å; P216-Y255 HydrophobicContact CG-CD2 4.07Å; P216-Y255 HydrophobicContact CG-CE1 3.92Å; P216-Y255 HydrophobicContact CG-CE2 4.14Å; P216-Y255 HydrophobicContact CG-CG 3.91Å; L219-Y255 HydrophobicContact CD2-CE2 4.08Å; I233-Y255 HydrophobicContact CG2-CD2 4.02Å; H234-Y255 CarbonylContact O-C 3.6Å; H234-Y255 WeakPolarHBondContact O-CA 3.43Å; H234-Y255 WeakPolarHBondContact O-CB 3.47Å; F236-Y255 VanDerWaalsContact CE1-C 3.42Å; F236-Y255 WeakPolarHBondContact CE1-O 3.16Å; Y255-L257 HydrophobicContact CD2-CB 4.34Å; Y255-L257 HydrophobicContact CE2-CB 4.25Å
256	A	97.2	Very high	94.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.7	171	0	0	0	0	0	108.9	W70 Y179 T180 I233 H234 F236 W247	W70-A256 HydrophobicContact CH2-CB 3.62Å; W70-A256 HydrophobicContact CZ2-CB 3.99Å; W70-A256 HydrophobicContact CZ3-CB 4Å; Y179-A256 CarbonylContact O-C 3.38Å; Y179-A256 WeakPolarHBondContact O-CA 3.49Å; T180-A256 HydrophobicContact CG2-CB 3.9Å; I233-A256 WeakPolarHBondContact CA-O 3.02Å; H234-A256 PolarHBondContact N-O 3.36Å; H234-A256 PolarHBondContact O-N 2.86Å; F236-A256 HydrophobicContact CD1-CB 4.14Å; F236-A256 HydrophobicContact CE1-CB 4.17Å; W247-A256 HydrophobicContact CH2-CB 3.68Å; W247-A256 HydrophobicContact CZ3-CB 3.45Å; W247-A256 VanDerWaalsContact CZ3-CB 3.45Å
257	L	97.8	Very high	94.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130	178.5	-174.7	154.6	0	0	0	109.3	W70 F178 Y179 L219 L223 V230 M232 I233 Y255 A259	W70-L257 WeakPolarHBondContact CH2-O 3.21Å; F178-L257 WeakPolarHBondContact CA-O 3.44Å; Y179-L257 HydrophobicContact CD2-CD2 4.25Å; Y179-L257 PolarHBondContact N-O 3.07Å; Y179-L257 PolarHBondContact O-N 2.88Å; L219-L257 HydrophobicContact CB-CD1 4.46Å; L219-L257 HydrophobicContact CD2-CB 4.31Å; L219-L257 HydrophobicContact CD2-CD1 4.12Å; L219-L257 HydrophobicContact CG-CD1 4.07Å; L223-L257 HydrophobicContact CD1-CD1 4.31Å; L223-L257 HydrophobicContact CD1-CD2 3.28Å; L223-L257 HydrophobicContact CD1-CG 4.46Å; V230-L257 HydrophobicContact CG1-CD1 4.09Å; V230-L257 HydrophobicContact CG1-CD2 4.14Å; V230-L257 HydrophobicContact CG1-CG 3.9Å; V230-L257 HydrophobicContact CG2-CD1 4.31Å; V230-L257 HydrophobicContact CG2-CD2 4.19Å; M232-L257 WeakPolarHBondContact O-CA 3.28Å; I233-L257 HydrophobicContact CD1-CD1 3.95Å; I233-L257 HydrophobicContact CG1-CD1 3.9Å; I233-L257 HydrophobicContact CG1-CG 4.03Å; Y255-L257 HydrophobicContact CD2-CB 4.34Å; Y255-L257 HydrophobicContact CE2-CB 4.25Å; L257-A259 HydrophobicContact CD2-CB 4.1Å
258	C	97.8	Very high	94.7	Very high	12 Å²	12	31.7 Å²	31.7	8%	0.081	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.8	169.1	179.7	0	0	0	0	109.7	W70 L177 F178 K231 M232	W70-C258 HydrophobicContact CZ2-CB 3.67Å; L177-C258 VanDerWaalsContact O-CA 3.3Å; L177-C258 WeakPolarHBondContact O-CA 3.13Å; F178-C258 HydrophobicContact CD1-CB 4.14Å; F178-C258 HydrophobicContact CE1-CB 4.2Å; K231-C258 PolarHBondContact N-O 3.35Å; M232-C258 HydrophobicContact CB-CB 4.28Å; M232-C258 PolarHBondContact N-O 3.2Å; M232-C258 PolarHBondContact O-N 3.22Å
259	A	98.2	Very high	94.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	157.3	174	0	0	0	0	0	111	L176 L177 L223 C228 A229 V230 L257	L176-A259 CarbonylContact C-O 3.56Å; L176-A259 WeakPolarHBondContact CA-O 3.34Å; L177-A259 PolarHBondContact N-O 3.28Å; L177-A259 PolarHBondContact O-N 3.29Å; L223-A259 HydrophobicContact CD1-CB 4.07Å; C228-A259 HydrophobicContact CB-CB 4.25Å; A229-A259 WeakPolarHBondContact O-CA 3.31Å; V230-A259 HydrophobicContact CG2-CB 4.24Å; L257-A259 HydrophobicContact CD2-CB 4.1Å
260	V	97.9	Very high	94.6	Very high	28 Å²	28	26.5 Å²	26.5	17%	0.17	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.4	170.7	71.1	0	0	0	0	109.3	G174 G175 L176 C228 A229 K231	G174-V260 WeakPolarHBondContact O-CG2 3.24Å; G175-V260 WeakPolarHBondContact O-CA 3.19Å; L176-V260 HydrophobicContact CD2-CB 4Å; L176-V260 HydrophobicContact CD2-CG2 4.09Å; C228-V260 CarbonylContact C-O 3.59Å; C228-V260 VanDerWaalsContact CA-O 3.23Å; C228-V260 WeakPolarHBondContact CA-O 3.38Å; A229-V260 HydrophobicContact CB-CG1 4.05Å; A229-V260 PolarHBondContact N-O 3.17Å; A229-V260 PolarHBondContact O-N 2.83Å; K231-V260 HydrophobicContact CD-CG1 4.36Å; K231-V260 HydrophobicContact CG-CB 4.46Å; K231-V260 HydrophobicContact CG-CG1 4.28Å
261	K	98	Very high	94.7	Very high	29 Å²	29	19.4 Å²	19.4	13%	0.126	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	134.3	171.4	-173.9	176	177	173.1	0	109.9	V168 V171 G174 G175 L177	V168-K261 HydrophobicContact CG1-CD 3.99Å; V168-K261 HydrophobicContact CG1-CG 4.21Å; V168-K261 WeakPolarHBondContact O-CD 3.16Å; V168-K261 WeakPolarHBondContact O-CE 3.25Å; V168-K261 PolarHBondContact O-NZ 3.04Å; V171-K261 HydrophobicContact CB-CD 4.37Å; V171-K261 WeakPolarHBondContact O-CD 3.44Å; V171-K261 WeakPolarHBondContact O-CE 3.48Å; V171-K261 PolarHBondContact O-NZ 3.15Å; G174-K261 VanDerWaalsContact CA-O 3.27Å; G174-K261 WeakPolarHBondContact CA-O 3.32Å; G174-K261 PolarHBondContact N-O 2.7Å; G175-K261 PolarHBondContact O-N 2.83Å; L177-K261 HydrophobicContact CD1-CB 4.32Å
262	G	95.9	Very high	94.9	Very high	75 Å²	75	17.6 Å²	17.6	77%	0.773	13%	0.13	S	C	*	.			trans	-68.7	0	174.7	0	0	0	0	0	114	P173 N227	P173-G262 WeakPolarHBondContact CA-O 3.47Å; P173-G262 WeakPolarHBondContact CB-O 3.4Å; N227-G262 PolarHBondContact O-N 3.2Å

Retrieved 262 of 262 residues in 137.5 ms (Link to these results)

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