A0A087XYV3_POEFO Loading...

Alpha-ketoglutarate-dependent dioxygenase alkB homolog 7, mitochondrial

May function as protein hydroxylase; can catalyze auto-hydroxylation at Leu-110 (in vitro), but this activity may be due to the absence of the true substrate. Required to induce programmed necrosis in response to DNA damage caused by cytotoxic alkylating agents. Acts by triggering the collapse of mitochondrial membrane potential and loss of mitochondrial function that leads to energy depletion and cell death. ALKBH7-mediated necrosis is probably required to prevent the accumulation of cells with DNA damage. Does not display DNA demethylase activity. Involved in fatty acid metabolism.

AlphaFold DB , UniProt , Accession A0A087XYV3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 230 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	33.4	Very low	242 Å²	242	168.1 Å²	168.1	100%	1.192	86%	0.862	S	S	*	*				0	107.2	0	-72.8	163.2	73.4	0	0	108
2	K	29.7	Very low	33.1	Very low	206 Å²	206	173.6 Å²	173.6	90%	0.896	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-88.9	116	178.8	-82.3	174.9	172	177.3	0	108.3
3	L	32.3	Very low	33.4	Very low	167 Å²	167	172 Å²	172	87%	0.874	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-78.6	116.6	168.2	-111.4	87.6	0	0	0	108.4
4	L	35.1	Very low	33.5	Very low	155 Å²	155	168.1 Å²	168.1	81%	0.812	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-80	119.8	165.9	-95.4	93.7	0	0	0	108.9
5	L	33.8	Very low	33.7	Very low	164 Å²	164	161.1 Å²	161.1	86%	0.859	83%	0.831	S	S	*	*			trans	-82.5	110.5	163.5	-84.8	143.9	0	0	0	108.3
6	T	32.6	Very low	34	Very low	129 Å²	129	155.6 Å²	155.6	79%	0.791	81%	0.807	S	S	*	*			trans	-80.4	112.8	169.5	31.9	0	0	0	0	109.4
7	T	33.7	Very low	34.6	Very low	124 Å²	124	154.5 Å²	154.5	76%	0.761	79%	0.791	S	S	*	*			trans	-83.8	114.6	171.8	42	0	0	0	0	109.8	K9	T7-K9 PolarHBondContact O-N 3.08Å
8	L	33.5	Very low	35.1	Very low	174 Å²	174	151.8 Å²	151.8	91%	0.911	78%	0.778	S	S	*	*			trans	-68.4	110.6	170.3	-81.3	147.5	0	0	0	109.1	H10	L8-H10 PolarHBondContact O-N 3Å
9	K	31.7	Very low	35	Very low	192 Å²	192	149.2 Å²	149.2	84%	0.835	77%	0.773	S	S	*	*			trans	-77.2	108	170.1	-72	-177	178.8	-179.8	0	108.7	T7 T11	T7-K9 PolarHBondContact O-N 3.08Å; K9-T11 PolarHBondContact O-N 2.93Å
10	H	30.4	Very low	35.3	Very low	177 Å²	177	151.7 Å²	151.7	82%	0.819	77%	0.772	S	S	*	*			trans	-70.8	108.6	171	-158.3	-29.7	0	0	0	108.6	L8 R12	L8-H10 PolarHBondContact O-N 3Å; H10-R12 PolarHBondContact O-N 3.46Å
11	T	33.5	Very low	35.6	Very low	119 Å²	119	155.1 Å²	155.1	73%	0.73	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-73.5	122.4	168.3	44.5	0	0	0	0	108.1	K9	K9-T11 PolarHBondContact O-N 2.93Å
12	R	30.6	Very low	35.3	Very low	234 Å²	234	155.7 Å²	155.7	88%	0.883	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-85.2	119.1	169.6	-91.4	178	165	171	-5.2	107.4	H10	H10-R12 PolarHBondContact O-N 3.46Å
13	N	35.9	Very low	35.6	Very low	153 Å²	153	151.6 Å²	151.6	82%	0.818	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-61.9	130.1	167.8	-82.6	-21.2	0	0	0	109.3
14	P	35.8	Very low	35.9	Very low	117 Å²	117	149.6 Å²	149.6	76%	0.76	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-70.8	141.2	170.8	28.1	-29.3	0	0	0	109.7
15	A	35.3	Very low	36.1	Very low	64 Å²	64	147.2 Å²	147.2	53%	0.529	76%	0.756	S	S	.	*	P	Polyproline II helix	trans	-76.3	131.7	-177.5	0	0	0	0	0	110.9	Y17	A15-Y17 HydrophobicContact CB-CD2 4.41Å; A15-Y17 HydrophobicContact CB-CE1 4.45Å; A15-Y17 HydrophobicContact CB-CE2 3.44Å; A15-Y17 VanDerWaalsContact CB-CE2 3.44Å; A15-Y17 VanDerWaalsContact CB-CZ 3.46Å; A15-Y17 WeakPolarHBondContact CB-OH 3.36Å; A15-Y17 WeakPolarHBondContact O-CD2 3.22Å; A15-Y17 WeakPolarHBondContact O-CE2 3.36Å
16	V	39.8	Very low	36.4	Very low	73 Å²	73	145.5 Å²	145.5	44%	0.442	76%	0.755	S	S	.	*	P	Polyproline II helix	trans	-92.2	135.7	179	-177.5	0	0	0	0	109.5	V42 N211	V16-V42 HydrophobicContact CG1-CB 4.42Å; V16-V42 HydrophobicContact CG1-CG1 4.02Å; V16-N211 WeakPolarHBondContact CG1-OD1 3.19Å
17	Y	43.1	Very low	36.6	Very low	137 Å²	137	151.5 Å²	151.5	54%	0.537	76%	0.763	S	S	.	*			trans	-131.8	150.9	-177.1	-61.1	-77.4	0	0	0	113.2	A15 P46	A15-Y17 HydrophobicContact CB-CD2 4.41Å; A15-Y17 HydrophobicContact CB-CE1 4.45Å; A15-Y17 HydrophobicContact CB-CE2 3.44Å; A15-Y17 VanDerWaalsContact CB-CE2 3.44Å; A15-Y17 VanDerWaalsContact CB-CZ 3.46Å; A15-Y17 WeakPolarHBondContact CB-OH 3.36Å; A15-Y17 WeakPolarHBondContact O-CD2 3.22Å; A15-Y17 WeakPolarHBondContact O-CE2 3.36Å; Y17-P46 HydrophobicContact CD2-CG 3.76Å; Y17-P46 HydrophobicContact CG-CG 3.97Å
18	L	43.9	Very low	36.8	Very low	106 Å²	106	151.3 Å²	151.3	56%	0.555	77%	0.767	S	S	*	*			trans	-112.8	141.4	-154.3	-59.9	164.5	0	0	0	112.3	V39	L18-V39 HydrophobicContact CD2-CB 4.39Å; L18-V39 HydrophobicContact CD2-CG1 4.18Å; L18-V39 HydrophobicContact CD2-CG2 3.32Å
19	C	34	Very low	37.3	Very low	101 Å²	101	149 Å²	149	68%	0.682	77%	0.766	S	S	*	*			trans	-108	116.6	162.4	-170.7	0	0	0	0	109.5	V49	C19-V49 HydrophobicContact CB-CG1 4.35Å
20	R	40.9	Very low	37.8	Very low	199 Å²	199	144 Å²	144	75%	0.751	77%	0.768	S	S	*	*			trans	-100.2	133.5	178.8	-84.7	-175.8	173.9	-141.2	-2.4	111.1
21	R	40.2	Very low	37.9	Very low	225 Å²	225	138.9 Å²	138.9	85%	0.849	76%	0.764	S	S	*	*			trans	-110	140	157.1	-90.4	-175.5	168.9	-170.8	-1.3	110.6
22	R	35.1	Very low	37.8	Very low	254 Å²	254	141.4 Å²	141.4	96%	0.958	77%	0.772	S	S	*	*			trans	-82.2	113.3	177.1	-77.1	-179.8	179.4	-175.4	0.2	109.5
23	C	35.9	Very low	38.1	Very low	119 Å²	119	135.2 Å²	135.2	80%	0.804	76%	0.762	S	S	*	*			trans	-103.7	127.9	160.4	-69.3	0	0	0	0	108.5
24	S	38.5	Very low	38.3	Very low	126 Å²	126	131.5 Å²	131.5	88%	0.881	75%	0.748	S	S	*	*			trans	-94.9	109.5	176.1	43.3	0	0	0	0	109.9
25	S	39.3	Very low	38.6	Very low	104 Å²	104	132.3 Å²	132.3	73%	0.727	75%	0.745	S	S	*	*			trans	-127.9	149.7	170.7	-56.9	0	0	0	0	110
26	P	40	Very low	39.1	Very low	128 Å²	128	134.8 Å²	134.8	83%	0.831	75%	0.746	S	S	*	*			trans	-79.1	144.9	-173.2	29.8	-26.9	0	0	0	111.9
27	R	38.3	Very low	39.8	Very low	255 Å²	255	136.7 Å²	136.7	96%	0.962	75%	0.753	S	S	*	*			trans	-67.9	128.9	-173.4	-74.3	175.4	164	-167.5	-5.1	112.9
28	S	36.8	Very low	41.2	Very low	121 Å²	121	137.4 Å²	137.4	85%	0.846	77%	0.767	S	S	*	*			trans	-112.1	135.2	149.9	43.6	0	0	0	0	108.9
29	S	45	Very low	43.4	Very low	126 Å²	126	133.7 Å²	133.7	88%	0.881	75%	0.748	S	S	*	*			trans	-88.9	134	-167.8	46.6	0	0	0	0	112.8
30	G	41	Very low	46.3	Very low	86 Å²	86	130.4 Å²	130.4	89%	0.887	72%	0.723	S	S	*	*			trans	125.6	75.8	155.6	0	0	0	0	0	115.6
31	G	32.3	Very low	49	Very low	70 Å²	70	122.4 Å²	122.4	72%	0.722	70%	0.696	S	S	*	*	S	Bend	trans	-177	139.8	168.3	0	0	0	0	0	109.9
32	L	33	Very low	51.7	Low	171 Å²	171	112 Å²	112	90%	0.895	66%	0.658	S	S	*	*			trans	-52.9	136.2	169.1	-101.9	83.3	0	0	0	108.7	S34	L32-S34 PolarHBondContact O-N 3.27Å; L32-S34 VanDerWaalsContact O-N 3.08Å
33	P	35.7	Very low	54.6	Low	104 Å²	104	100.6 Å²	100.6	68%	0.675	62%	0.62	S	S	*	*			trans	-70.6	109.9	179	27.6	-30	0	0	0	109.3	L35	P33-L35 VanDerWaalsContact C-N 3.34Å; P33-L35 PolarHBondContact O-N 3.31Å
34	S	40.8	Very low	57.6	Low	76 Å²	76	97.1 Å²	97.1	53%	0.531	60%	0.596	S	S	.	*			trans	-63.7	96.7	160.4	42.1	0	0	0	0	107.8	L32 Q36 D37	L32-S34 PolarHBondContact O-N 3.27Å; L32-S34 VanDerWaalsContact O-N 3.08Å; S34-Q36 PolarHBondContact O-N 3.26Å; S34-D37 VanDerWaalsContact CB-OD2 3.3Å; S34-D37 WeakPolarHBondContact CB-OD2 3.43Å; S34-D37 PolarHBondContact OG-OD2 3.36Å
35	L	41.4	Very low	60.3	Low	133 Å²	133	92.6 Å²	92.6	70%	0.696	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	20.6	-176.7	-83.5	163.3	0	0	0	114.2	P33	P33-L35 VanDerWaalsContact C-N 3.34Å; P33-L35 PolarHBondContact O-N 3.31Å
36	Q	46.5	Very low	62.9	Low	117 Å²	117	90.1 Å²	90.1	55%	0.547	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	3.6	-172.7	-79.7	-179.3	-12.1	0	0	116.1	S34 D38 H213	S34-Q36 PolarHBondContact O-N 3.26Å; Q36-D38 PolarHBondContact O-N 3.49Å; Q36-H213 PolarHBondContact OE1-CE1 2.93Å
37	D	54.2	Low	65.6	Low	112 Å²	112	89.7 Å²	89.7	60%	0.599	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-6.2	-168.6	-66.8	-20.1	0	0	0	116	S34	S34-D37 VanDerWaalsContact CB-OD2 3.3Å; S34-D37 WeakPolarHBondContact CB-OD2 3.43Å; S34-D37 PolarHBondContact OG-OD2 3.36Å
38	D	71.7	Confident	68.3	Low	153 Å²	153	78 Å²	78	82%	0.818	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-0.7	-172.4	-74.1	-31.3	0	0	0	115.3	Q36 M40	Q36-D38 PolarHBondContact O-N 3.49Å; D38-M40 PolarHBondContact O-N 2.91Å
39	V	90.5	Very high	71.1	Confident	28 Å²	28	73 Å²	73	17%	0.17	45%	0.454	C	S	.	.			trans	-89.6	107.7	-173.5	-172.6	0	0	0	0	110.1	L18 V41 V42 F210	L18-V39 HydrophobicContact CD2-CB 4.39Å; L18-V39 HydrophobicContact CD2-CG1 4.18Å; L18-V39 HydrophobicContact CD2-CG2 3.32Å; V39-V41 WeakPolarHBondContact CG1-O 3.46Å; V39-V42 HydrophobicContact CG1-CG1 3.76Å; V39-F210 VanDerWaalsContact O-CE1 3.26Å; V39-F210 WeakPolarHBondContact O-CE1 3.15Å
40	M	95.6	Very high	73.4	Confident	32 Å²	32	74.6 Å²	74.6	16%	0.158	45%	0.447	C	S	.	.			trans	-100.6	-14.2	178.5	-62	-68	158.8	0	0	113.6	D38 V58 P60 L180 L181 T183	D38-M40 PolarHBondContact O-N 2.91Å; M40-V58 HydrophobicContact CB-CB 3.82Å; M40-V58 HydrophobicContact CB-CG1 4.06Å; M40-V58 HydrophobicContact CB-CG2 4.43Å; M40-V58 HydrophobicContact CG-CB 4.49Å; M40-V58 HydrophobicContact CG-CG1 4.33Å; M40-V58 HydrophobicContact SD-CG1 4.45Å; M40-P60 HydrophobicContact CE-CB 3.8Å; M40-P60 HydrophobicContact CE-CG 3.91Å; M40-P60 HydrophobicContact CG-CG 4.39Å; M40-P60 HydrophobicContact SD-CB 4.3Å; M40-P60 HydrophobicContact SD-CG 4.48Å; M40-L180 CarbonylContact O-C 3.49Å; M40-L180 WeakPolarHBondContact O-CA 3.31Å; M40-L181 PolarHBondContact O-N 3.44Å; M40-L181 HydrophobicContact SD-CB 4.33Å; M40-L181 HydrophobicContact SD-CD2 4.33Å; M40-L181 HydrophobicContact SD-CG 4.49Å; M40-T183 HydrophobicContact CE-CG2 4.44Å; M40-T183 HydrophobicContact SD-CG2 4.32Å
41	V	97.1	Very high	75.8	Confident	31 Å²	31	75 Å²	75	19%	0.188	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.8	-179.3	-173.7	0	0	0	0	109.1	V39 V58 L178 D179 L180	V39-V41 WeakPolarHBondContact CG1-O 3.46Å; V41-V58 HydrophobicContact CG2-CG2 4.21Å; V41-L178 HydrophobicContact CG1-CD2 3.89Å; V41-D179 WeakPolarHBondContact CA-O 3.34Å; V41-L180 HydrophobicContact CG2-CG 4.28Å
42	V	96.9	Very high	78.7	Confident	6 Å²	6	71.8 Å²	71.8	4%	0.036	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	159.2	167.7	-61.8	0	0	0	0	108.6	V16 V39 W177 L178 D179 F210 N211	V16-V42 HydrophobicContact CG1-CB 4.42Å; V16-V42 HydrophobicContact CG1-CG1 4.02Å; V39-V42 HydrophobicContact CG1-CG1 3.76Å; V42-W177 HydrophobicContact CG2-CZ3 4.32Å; V42-L178 CarbonylContact O-C 3.56Å; V42-L178 VanDerWaalsContact O-CA 3.22Å; V42-L178 WeakPolarHBondContact O-CA 3.3Å; V42-D179 HydrophobicContact CG2-CB 3.83Å; V42-D179 PolarHBondContact N-O 2.82Å; V42-D179 PolarHBondContact O-N 3.19Å; V42-F210 HydrophobicContact CG1-CE1 4.42Å; V42-F210 HydrophobicContact CG1-CZ 3.99Å; V42-F210 HydrophobicContact CG2-CD2 4.4Å; V42-F210 HydrophobicContact CG2-CE2 3.88Å; V42-F210 HydrophobicContact CG2-CZ 4.17Å; V42-N211 HydrophobicContact CG1-CB 4.24Å
43	G	96.9	Very high	81.4	Confident	15 Å²	15	65.7 Å²	65.7	16%	0.155	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	175.6	176.6	0	0	0	0	0	112.5	S45 W177	G43-S45 PolarHBondContact O-N 3.44Å; G43-W177 CarbonylContact C-O 3.52Å; G43-W177 WeakPolarHBondContact CA-O 3.46Å
44	S	97.2	Very high	84.1	Confident	45 Å²	45	65.3 Å²	65.3	32%	0.315	38%	0.378	S	S	.	.	S	Bend	trans	-64.6	-26.6	-177.1	65.5	0	0	0	0	113.7	S175 E176 W177	S44-S175 WeakPolarHBondContact CB-O 3.42Å; S44-S175 PolarHBondContact OG-O 2.56Å; S44-E176 WeakPolarHBondContact OG-CA 3.44Å; S44-W177 PolarHBondContact N-O 2.72Å; S44-W177 PolarHBondContact OG-N 3.38Å
45	S	96.8	Very high	86.8	Confident	32 Å²	32	62.5 Å²	62.5	22%	0.224	36%	0.356	C	S	.	.			trans	-145.1	150.9	173.2	72.3	0	0	0	0	112.1	G43 E47 L48 V49	G43-S45 PolarHBondContact O-N 3.44Å; S45-E47 VanDerWaalsContact C-N 3.26Å; S45-E47 WeakPolarHBondContact CB-OE2 3.11Å; S45-E47 PolarHBondContact O-N 2.9Å; S45-L48 PolarHBondContact O-N 3.31Å; S45-L48 VanDerWaalsContact OG-CB 3.27Å; S45-L48 WeakPolarHBondContact OG-CB 3.21Å; S45-L48 PolarHBondContact OG-N 3.38Å; S45-L48 VanDerWaalsContact OG-N 3.13Å; S45-V49 WeakPolarHBondContact O-CG2 3.27Å; S45-V49 PolarHBondContact O-N 3.38Å
46	P	94	Very high	89.5	Confident	51 Å²	51	56.6 Å²	56.6	33%	0.331	33%	0.325	S	S	.	.	H	α-helix	trans	-59	-37	172.2	-4.6	7	0	0	0	112.9	Y17 L48 V49 Q50	Y17-P46 HydrophobicContact CD2-CG 3.76Å; Y17-P46 HydrophobicContact CG-CG 3.97Å; P46-L48 VanDerWaalsContact C-N 3.34Å; P46-L48 PolarHBondContact O-N 3.39Å; P46-V49 PolarHBondContact O-N 3.41Å; P46-Q50 WeakPolarHBondContact O-CB 3.47Å; P46-Q50 PolarHBondContact O-N 3.24Å
47	E	95.6	Very high	91.9	Very high	120 Å²	120	53.2 Å²	53.2	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-63.8	-41	-178.9	-64.1	70.7	-153.4	0	0	111.1	S45 Q50 T51	S45-E47 VanDerWaalsContact C-N 3.26Å; S45-E47 WeakPolarHBondContact CB-OE2 3.11Å; S45-E47 PolarHBondContact O-N 2.9Å; E47-Q50 PolarHBondContact O-N 3.31Å; E47-T51 VanDerWaalsContact O-CB 3.31Å; E47-T51 WeakPolarHBondContact O-CB 3.08Å; E47-T51 PolarHBondContact O-N 2.9Å; E47-T51 PolarHBondContact O-OG1 2.91Å
48	L	95.6	Very high	94	Very high	9 Å²	9	48.7 Å²	48.7	5%	0.047	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-52	175	175.4	62.5	0	0	0	110.7	S45 P46 Q50 T51 V52 E176 W177 L178 F198	S45-L48 PolarHBondContact O-N 3.31Å; S45-L48 VanDerWaalsContact OG-CB 3.27Å; S45-L48 WeakPolarHBondContact OG-CB 3.21Å; S45-L48 PolarHBondContact OG-N 3.38Å; S45-L48 VanDerWaalsContact OG-N 3.13Å; P46-L48 VanDerWaalsContact C-N 3.34Å; P46-L48 PolarHBondContact O-N 3.39Å; L48-Q50 PolarHBondContact O-N 3.13Å; L48-T51 PolarHBondContact O-N 3.41Å; L48-V52 HydrophobicContact CD1-CG1 4.18Å; L48-V52 HydrophobicContact CD1-CG2 4.47Å; L48-V52 VanDerWaalsContact O-CG2 3.31Å; L48-V52 WeakPolarHBondContact O-CG2 3.31Å; L48-V52 PolarHBondContact O-N 3.05Å; L48-E176 HydrophobicContact CD2-CB 3.79Å; L48-E176 HydrophobicContact CD2-CG 4.24Å; L48-W177 WeakPolarHBondContact CD2-O 3.12Å; L48-L178 HydrophobicContact CD2-CD1 4.36Å; L48-L178 HydrophobicContact CD2-CG 4.37Å; L48-L178 HydrophobicContact CG-CD1 4.46Å; L48-F198 HydrophobicContact CD1-CE1 4.4Å; L48-F198 HydrophobicContact CD1-CZ 3.93Å
49	V	94.9	Very high	95.2	Very high	15 Å²	15	45.4 Å²	45.4	9%	0.091	26%	0.262	C	S	.	.	H	α-helix	trans	-56.2	-38.9	179.3	175.7	0	0	0	0	111.1	C19 S45 P46 G53 L178	C19-V49 HydrophobicContact CB-CG1 4.35Å; S45-V49 WeakPolarHBondContact O-CG2 3.27Å; S45-V49 PolarHBondContact O-N 3.38Å; P46-V49 PolarHBondContact O-N 3.41Å; V49-G53 WeakPolarHBondContact O-CA 3.42Å; V49-G53 PolarHBondContact O-N 2.97Å; V49-L178 HydrophobicContact CG2-CD2 4.09Å
50	Q	92.9	Very high	95.6	Very high	161 Å²	161	47.3 Å²	47.3	75%	0.752	28%	0.275	S	S	*	.	H	α-helix	trans	-68.8	-42.8	175.6	-173.2	175.5	12.2	0	0	112.2	P46 E47 L48 G53	P46-Q50 WeakPolarHBondContact O-CB 3.47Å; P46-Q50 PolarHBondContact O-N 3.24Å; E47-Q50 PolarHBondContact O-N 3.31Å; L48-Q50 PolarHBondContact O-N 3.13Å; Q50-G53 PolarHBondContact O-N 3.01Å
51	T	92.7	Very high	95.7	Very high	93 Å²	93	48.4 Å²	48.4	57%	0.571	30%	0.295	S	S	*	.	H	α-helix	trans	-65.6	-44.2	-176.7	-61.5	0	0	0	0	112.2	E47 L48	E47-T51 VanDerWaalsContact O-CB 3.31Å; E47-T51 WeakPolarHBondContact O-CB 3.08Å; E47-T51 PolarHBondContact O-N 2.9Å; E47-T51 PolarHBondContact O-OG1 2.91Å; L48-T51 PolarHBondContact O-N 3.41Å
52	V	93.4	Very high	95.8	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.018	29%	0.292	C	S	.	.	S	Bend	trans	-93	1.1	178.8	-59.7	0	0	0	0	113.5	L48 S54 Q55 V56 L178 F198	L48-V52 HydrophobicContact CD1-CG1 4.18Å; L48-V52 HydrophobicContact CD1-CG2 4.47Å; L48-V52 VanDerWaalsContact O-CG2 3.31Å; L48-V52 WeakPolarHBondContact O-CG2 3.31Å; L48-V52 PolarHBondContact O-N 3.05Å; V52-S54 PolarHBondContact O-N 3.23Å; V52-S54 VanDerWaalsContact O-N 3.13Å; V52-Q55 WeakPolarHBondContact O-CA 3Å; V52-Q55 WeakPolarHBondContact O-CB 3.34Å; V52-Q55 PolarHBondContact O-N 3.13Å; V52-V56 HydrophobicContact CB-CG2 4.39Å; V52-V56 HydrophobicContact CG2-CG2 4.27Å; V52-V56 PolarHBondContact O-N 2.81Å; V52-L178 HydrophobicContact CG2-CD1 3.72Å; V52-L178 HydrophobicContact CG2-CD2 3.55Å; V52-L178 HydrophobicContact CG2-CG 4.26Å; V52-F198 HydrophobicContact CG1-CE2 4.24Å; V52-F198 HydrophobicContact CG1-CZ 4.3Å
53	G	88.5	Confident	95.9	Very high	44 Å²	44	48.2 Å²	48.2	45%	0.454	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-20	-170.1	0	0	0	0	0	115.6	V49 Q50	V49-G53 WeakPolarHBondContact O-CA 3.42Å; V49-G53 PolarHBondContact O-N 2.97Å; Q50-G53 PolarHBondContact O-N 3.01Å
54	S	92.6	Very high	96	Very high	96 Å²	96	50.6 Å²	50.6	67%	0.671	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-16.4	170.6	57.2	0	0	0	0	113.4	V52	V52-S54 PolarHBondContact O-N 3.23Å; V52-S54 VanDerWaalsContact O-N 3.13Å
55	Q	97.4	Very high	96	Very high	17 Å²	17	53.6 Å²	53.6	8%	0.079	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-21.7	-173.8	-59.1	179.4	41.9	0	0	112.4	V52 L190 R191 D192 Q193 A194	V52-Q55 WeakPolarHBondContact O-CA 3Å; V52-Q55 WeakPolarHBondContact O-CB 3.34Å; V52-Q55 PolarHBondContact O-N 3.13Å; Q55-L190 CarbonylContact O-C 3.52Å; Q55-L190 WeakPolarHBondContact O-CA 3.49Å; Q55-R191 HydrophobicContact CB-CB 4.4Å; Q55-R191 WeakPolarHBondContact CB-O 3.45Å; Q55-R191 PolarHBondContact O-N 3.26Å; Q55-R191 PolarHBondContact OE1-O 2.69Å; Q55-D192 HydrophobicContact CG-CB 4.39Å; Q55-Q193 VanDerWaalsContact OE1-CA 3.31Å; Q55-A194 HydrophobicContact CB-CB 3.89Å
56	V	97.8	Very high	96.1	Very high	8 Å²	8	58.2 Å²	58.2	5%	0.048	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121	177.7	-177.8	0	0	0	0	109.6	V52 L168 L180 L190 A194	V52-V56 HydrophobicContact CB-CG2 4.39Å; V52-V56 HydrophobicContact CG2-CG2 4.27Å; V52-V56 PolarHBondContact O-N 2.81Å; V56-L168 HydrophobicContact CG1-CD1 4.18Å; V56-L168 HydrophobicContact CG2-CD1 3.76Å; V56-L180 HydrophobicContact CG1-CD1 3.96Å; V56-L180 HydrophobicContact CG1-CD2 3.53Å; V56-L180 HydrophobicContact CG1-CG 3.87Å; V56-L190 HydrophobicContact CG1-CD2 4.16Å; V56-L190 HydrophobicContact CG2-CD2 4.29Å; V56-A194 HydrophobicContact CG2-CB 3.39Å
57	E	97.2	Very high	96.3	Very high	46 Å²	46	57.7 Å²	57.7	22%	0.215	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	139.7	179.7	-170.2	171.7	-168.6	0	0	111.5	R59 Y188 I189 R191	E57-R59 VanDerWaalsContact CD-NH2 3.34Å; E57-R59 HydrophobicContact CG-CG 4.07Å; E57-R59 IonicContact OE1-CZ 3.87Å; E57-R59 IonicContact OE1-NE 2.64Å; E57-R59 PolarHBondContact OE1-NE 2.87Å; E57-R59 IonicContact OE1-NH2 3.71Å; E57-R59 PolarHBondContact OE1-NH2 2.85Å; E57-R59 IonicContact OE2-CZ 2.69Å; E57-R59 IonicContact OE2-NE 2.88Å; E57-R59 PolarHBondContact OE2-NE 3.18Å; E57-R59 IonicContact OE2-NH2 2.81Å; E57-R59 PolarHBondContact OE2-NH2 2.83Å; E57-Y188 CarbonylContact O-C 3.54Å; E57-Y188 VanDerWaalsContact O-CA 3.23Å; E57-Y188 WeakPolarHBondContact O-CA 3.32Å; E57-I189 HydrophobicContact CB-CB 4.36Å; E57-I189 PolarHBondContact N-O 2.78Å; E57-I189 PolarHBondContact O-N 3.07Å; E57-R191 IonicContact OE2-NH1 2.69Å
58	V	98.3	Very high	96.5	Very high	17 Å²	17	52 Å²	52	10%	0.103	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.7	166.1	-177.6	0	0	0	0	108.3	M40 V41 P60 L180 L182 L187	M40-V58 HydrophobicContact CB-CB 3.82Å; M40-V58 HydrophobicContact CB-CG1 4.06Å; M40-V58 HydrophobicContact CB-CG2 4.43Å; M40-V58 HydrophobicContact CG-CB 4.49Å; M40-V58 HydrophobicContact CG-CG1 4.33Å; M40-V58 HydrophobicContact SD-CG1 4.45Å; V41-V58 HydrophobicContact CG2-CG2 4.21Å; V58-P60 WeakPolarHBondContact O-CD 3.46Å; V58-L180 HydrophobicContact CG2-CB 3.89Å; V58-L180 HydrophobicContact CG2-CD2 3.78Å; V58-L180 HydrophobicContact CG2-CG 4Å; V58-L182 HydrophobicContact CG1-CD2 4.42Å; V58-L182 HydrophobicContact CG2-CD2 4.01Å; V58-L187 WeakPolarHBondContact CA-O 3.36Å
59	R	98.1	Very high	96.6	Very high	84 Å²	84	54.2 Å²	54.2	32%	0.317	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	97.8	175.9	-60.8	-170.5	-179.7	-164.4	6.1	109.1	E57 F62 S186 L187	E57-R59 VanDerWaalsContact CD-NH2 3.34Å; E57-R59 HydrophobicContact CG-CG 4.07Å; E57-R59 IonicContact OE1-CZ 3.87Å; E57-R59 IonicContact OE1-NE 2.64Å; E57-R59 PolarHBondContact OE1-NE 2.87Å; E57-R59 IonicContact OE1-NH2 3.71Å; E57-R59 PolarHBondContact OE1-NH2 2.85Å; E57-R59 IonicContact OE2-CZ 2.69Å; E57-R59 IonicContact OE2-NE 2.88Å; E57-R59 PolarHBondContact OE2-NE 3.18Å; E57-R59 IonicContact OE2-NH2 2.81Å; E57-R59 PolarHBondContact OE2-NH2 2.83Å; R59-F62 HydrophobicContact CB-CB 4.33Å; R59-F62 HydrophobicContact CB-CD2 4.22Å; R59-S186 CarbonylContact O-C 3.47Å; R59-S186 WeakPolarHBondContact O-CA 3.45Å; R59-S186 WeakPolarHBondContact O-CB 3.26Å; R59-L187 HydrophobicContact CB-CB 4.41Å; R59-L187 PolarHBondContact N-O 3.03Å; R59-L187 PolarHBondContact O-N 2.96Å
60	P	98	Very high	96.8	Very high	68 Å²	68	55.7 Å²	55.7	44%	0.442	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	147.4	176.4	30.8	-37.2	0	0	0	110.5	M40 V58 F62	M40-P60 HydrophobicContact CE-CB 3.8Å; M40-P60 HydrophobicContact CE-CG 3.91Å; M40-P60 HydrophobicContact CG-CG 4.39Å; M40-P60 HydrophobicContact SD-CB 4.3Å; M40-P60 HydrophobicContact SD-CG 4.48Å; V58-P60 WeakPolarHBondContact O-CD 3.46Å; P60-F62 PolarHBondContact O-N 2.99Å
61	G	97.8	Very high	97.1	Very high	55 Å²	55	48 Å²	48	57%	0.567	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	33.8	178.7	0	0	0	0	0	113.9	I63	G61-I63 VanDerWaalsContact C-N 3.27Å; G61-I63 PolarHBondContact O-N 2.81Å
62	F	98.7	Very high	97.4	Very high	30 Å²	30	45.1 Å²	45.1	13%	0.132	27%	0.27	C	S	.	.			trans	-67.2	-30.4	179.5	-178.3	-94.2	0	0	0	112.6	R59 P60 R114 V115 V118 L158 R185 L187	R59-F62 HydrophobicContact CB-CB 4.33Å; R59-F62 HydrophobicContact CB-CD2 4.22Å; P60-F62 PolarHBondContact O-N 2.99Å; F62-R114 HydrophobicContact CZ-CG 3.99Å; F62-R114 PolarHBondContact O-NH2 3.44Å; F62-V115 HydrophobicContact CD1-CG2 4.43Å; F62-V115 HydrophobicContact CE1-CG2 3.62Å; F62-V115 HydrophobicContact CZ-CG2 4.32Å; F62-V118 HydrophobicContact CE2-CB 4.34Å; F62-V118 HydrophobicContact CE2-CG1 4.17Å; F62-V118 HydrophobicContact CE2-CG2 4.06Å; F62-V118 HydrophobicContact CZ-CB 4.42Å; F62-V118 HydrophobicContact CZ-CG2 4.22Å; F62-L158 HydrophobicContact CD1-CD2 3.65Å; F62-L158 HydrophobicContact CE1-CD2 4.21Å; F62-R185 PolarHBondContact N-O 2.9Å; F62-L187 HydrophobicContact CB-CB 3.75Å; F62-L187 HydrophobicContact CD1-CB 3.81Å; F62-L187 HydrophobicContact CD1-CD2 4.13Å; F62-L187 HydrophobicContact CD2-CB 3.98Å; F62-L187 HydrophobicContact CD2-CD2 3.87Å; F62-L187 HydrophobicContact CE1-CB 4.44Å; F62-L187 HydrophobicContact CE1-CD2 3.93Å; F62-L187 HydrophobicContact CE2-CD2 3.64Å; F62-L187 HydrophobicContact CG-CB 3.55Å; F62-L187 HydrophobicContact CG-CD2 4.1Å; F62-L187 HydrophobicContact CG-CG 4.47Å; F62-L187 HydrophobicContact CZ-CD2 3.67Å
63	I	98.8	Very high	97.6	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.021	30%	0.303	C	S	.	.	S	Bend	trans	-115.2	154.5	168.6	64.7	175.9	0	0	0	110.9	G61 E67 E68 L71 I111 L158 L160 R185	G61-I63 VanDerWaalsContact C-N 3.27Å; G61-I63 PolarHBondContact O-N 2.81Å; I63-E67 WeakPolarHBondContact CA-OE2 3.49Å; I63-E67 HydrophobicContact CB-CB 3.94Å; I63-E67 WeakPolarHBondContact CB-OE2 3.07Å; I63-E68 HydrophobicContact CD1-CB 3.87Å; I63-E68 HydrophobicContact CD1-CG 4.49Å; I63-L71 HydrophobicContact CD1-CD1 3.95Å; I63-I111 HydrophobicContact CG2-CG2 3.76Å; I63-L158 HydrophobicContact CG2-CD1 4.46Å; I63-L158 HydrophobicContact CG2-CD2 4.06Å; I63-L160 HydrophobicContact CD1-CD2 3.44Å; I63-L160 VanDerWaalsContact CD1-CD2 3.44Å; I63-R185 HydrophobicContact CD1-CB 4.33Å; I63-R185 HydrophobicContact CD1-CG 4.25Å; I63-R185 HydrophobicContact CG1-CB 3.53Å; I63-R185 HydrophobicContact CG1-CG 3.78Å; I63-R185 PolarHBondContact N-O 2.7Å; I63-R185 WeakPolarHBondContact O-CB 3.42Å; I63-R185 WeakPolarHBondContact O-CD 3.43Å
64	T	98.8	Very high	98.1	Very high	64 Å²	64	52 Å²	52	39%	0.393	29%	0.29	S	S	.	.			trans	-80.6	173.4	173.3	80	0	0	0	0	111.7	E66 E67 E68 R185	T64-E66 VanDerWaalsContact C-N 3.29Å; T64-E66 WeakPolarHBondContact CB-OE2 3.35Å; T64-E66 PolarHBondContact OG1-N 3.03Å; T64-E66 PolarHBondContact OG1-OE2 3.18Å; T64-E67 PolarHBondContact N-OE2 3.47Å; T64-E67 PolarHBondContact O-N 2.94Å; T64-E67 PolarHBondContact OG1-N 2.84Å; T64-E68 PolarHBondContact O-N 2.86Å; T64-R185 WeakPolarHBondContact O-CD 3.42Å
65	E	98.6	Very high	98.4	Very high	109 Å²	109	47.5 Å²	47.5	51%	0.509	26%	0.258	S	S	.	.	H	α-helix	trans	-66.9	-34.6	175	-57.1	-156.7	144.6	0	0	111.7	E68 A69 R185	E65-E68 PolarHBondContact O-N 3.38Å; E65-A69 WeakPolarHBondContact O-CB 3.26Å; E65-A69 PolarHBondContact O-N 2.8Å; E65-R185 IonicContact OE1-CZ 3.45Å; E65-R185 IonicContact OE1-NH1 3.86Å; E65-R185 PolarHBondContact OE1-NH1 3.04Å; E65-R185 IonicContact OE1-NH2 3.42Å; E65-R185 PolarHBondContact OE1-NH2 2.84Å
66	E	98.8	Very high	98.4	Very high	129 Å²	129	47.5 Å²	47.5	60%	0.603	26%	0.258	S	S	*	.	H	α-helix	trans	-66.5	-44.3	175.5	-58.5	72.5	-157	0	0	111	T64 A69 V70	T64-E66 VanDerWaalsContact C-N 3.29Å; T64-E66 WeakPolarHBondContact CB-OE2 3.35Å; T64-E66 PolarHBondContact OG1-N 3.03Å; T64-E66 PolarHBondContact OG1-OE2 3.18Å; E66-A69 PolarHBondContact O-N 2.98Å; E66-V70 VanDerWaalsContact O-CG2 3.32Å; E66-V70 WeakPolarHBondContact O-CG2 3.38Å; E66-V70 PolarHBondContact O-N 3.28Å
67	E	98.8	Very high	98.4	Very high	39 Å²	39	50.7 Å²	50.7	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-39.8	176.9	-72.5	179.5	140.9	0	0	111.9	I63 T64 V70 L71 I111 R114	I63-E67 WeakPolarHBondContact CA-OE2 3.49Å; I63-E67 HydrophobicContact CB-CB 3.94Å; I63-E67 WeakPolarHBondContact CB-OE2 3.07Å; T64-E67 PolarHBondContact N-OE2 3.47Å; T64-E67 PolarHBondContact O-N 2.94Å; T64-E67 PolarHBondContact OG1-N 2.84Å; E67-V70 PolarHBondContact O-N 2.79Å; E67-L71 WeakPolarHBondContact O-CG 3.22Å; E67-L71 PolarHBondContact O-N 2.88Å; E67-I111 HydrophobicContact CB-CD1 3.65Å; E67-I111 HydrophobicContact CB-CG1 4.22Å; E67-I111 HydrophobicContact CG-CD1 3.98Å; E67-I111 HydrophobicContact CG-CG1 4.15Å; E67-R114 IonicContact OE1-CZ 3.77Å; E67-R114 IonicContact OE1-NH1 2.76Å; E67-R114 PolarHBondContact OE1-NH1 3.25Å; E67-R114 IonicContact OE1-NH2 3.71Å; E67-R114 PolarHBondContact OE1-NH2 2.9Å; E67-R114 IonicContact OE2-CZ 3.21Å; E67-R114 IonicContact OE2-NH2 2.66Å; E67-R114 PolarHBondContact OE2-NH2 3.18Å
68	E	98.8	Very high	98.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-44.2	171.7	-178	179.1	-143	0	0	111.6	I63 T64 E65 V70 L71 L72 L160 L161 R184 R185	I63-E68 HydrophobicContact CD1-CB 3.87Å; I63-E68 HydrophobicContact CD1-CG 4.49Å; T64-E68 PolarHBondContact O-N 2.86Å; E65-E68 PolarHBondContact O-N 3.38Å; E68-V70 VanDerWaalsContact C-N 3.31Å; E68-V70 PolarHBondContact O-N 3.35Å; E68-L71 PolarHBondContact O-N 2.82Å; E68-L72 HydrophobicContact CG-CD1 4.03Å; E68-L72 HydrophobicContact CG-CG 4.45Å; E68-L72 VanDerWaalsContact O-CG 3.26Å; E68-L72 WeakPolarHBondContact O-CG 3.27Å; E68-L72 PolarHBondContact O-N 3.23Å; E68-L160 HydrophobicContact CG-CB 4.4Å; E68-L160 HydrophobicContact CG-CD2 4.21Å; E68-L160 WeakPolarHBondContact OE1-CA 3.38Å; E68-L161 PolarHBondContact OE1-N 2.84Å; E68-R184 VanDerWaalsContact OE1-CG 3.27Å; E68-R184 WeakPolarHBondContact OE1-CG 3.45Å; E68-R184 IonicContact OE1-CZ 3.44Å; E68-R184 IonicContact OE1-NE 3.47Å; E68-R184 PolarHBondContact OE1-NE 3.41Å; E68-R184 IonicContact OE1-NH2 2.9Å; E68-R184 IonicContact OE2-CZ 3.89Å; E68-R184 IonicContact OE2-NE 2.7Å; E68-R184 PolarHBondContact OE2-NE 3.43Å; E68-R184 IonicContact OE2-NH2 2.99Å; E68-R184 PolarHBondContact OE2-NH2 2.88Å; E68-R185 HydrophobicContact CB-CG 4.15Å; E68-R185 HydrophobicContact CG-CG 4.43Å; E68-R185 WeakPolarHBondContact OE2-CG 3.32Å; E68-R185 IonicContact OE2-NH1 3.67Å
69	A	98.8	Very high	98.3	Very high	55 Å²	55	50.7 Å²	50.7	46%	0.455	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-39.6	177.8	0	0	0	0	0	112.2	E65 E66 L72 Q73	E65-A69 WeakPolarHBondContact O-CB 3.26Å; E65-A69 PolarHBondContact O-N 2.8Å; E66-A69 PolarHBondContact O-N 2.98Å; A69-L72 PolarHBondContact O-N 3Å; A69-Q73 WeakPolarHBondContact O-CB 3.49Å; A69-Q73 PolarHBondContact O-N 2.99Å
70	V	98.7	Very high	98.2	Very high	47 Å²	47	54.9 Å²	54.9	29%	0.285	29%	0.294	S	S	.	.	H	α-helix	trans	-62.6	-46.4	175.4	164.1	0	0	0	0	111.5	E66 E67 E68 L72 Q73 E74 P107	E66-V70 VanDerWaalsContact O-CG2 3.32Å; E66-V70 WeakPolarHBondContact O-CG2 3.38Å; E66-V70 PolarHBondContact O-N 3.28Å; E67-V70 PolarHBondContact O-N 2.79Å; E68-V70 VanDerWaalsContact C-N 3.31Å; E68-V70 PolarHBondContact O-N 3.35Å; V70-L72 VanDerWaalsContact C-N 3.34Å; V70-L72 PolarHBondContact O-N 2.75Å; V70-Q73 PolarHBondContact O-N 2.84Å; V70-E74 PolarHBondContact O-N 2.74Å; V70-P107 HydrophobicContact CG1-CB 3.57Å
71	L	98.8	Very high	98.2	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.7	-45.9	174.1	-74.4	167	0	0	0	111.2	I63 E67 E68 Q73 E74 L75 W104 C108 I111 L158 L160	I63-L71 HydrophobicContact CD1-CD1 3.95Å; E67-L71 WeakPolarHBondContact O-CG 3.22Å; E67-L71 PolarHBondContact O-N 2.88Å; E68-L71 PolarHBondContact O-N 2.82Å; L71-Q73 PolarHBondContact O-N 2.89Å; L71-E74 PolarHBondContact O-N 2.97Å; L71-L75 WeakPolarHBondContact O-CB 3.42Å; L71-L75 WeakPolarHBondContact O-CG 3.46Å; L71-L75 PolarHBondContact O-N 2.85Å; L71-W104 HydrophobicContact CD2-CZ3 4.1Å; L71-C108 HydrophobicContact CD2-CB 4.08Å; L71-I111 HydrophobicContact CD1-CD1 4.27Å; L71-I111 HydrophobicContact CD1-CG2 4.3Å; L71-I111 HydrophobicContact CD2-CD1 4.46Å; L71-I111 HydrophobicContact CG-CD1 3.99Å; L71-L158 HydrophobicContact CD1-CD1 4.23Å; L71-L160 HydrophobicContact CB-CD1 4.21Å; L71-L160 HydrophobicContact CD1-CD1 4.27Å; L71-L160 HydrophobicContact CD1-CD2 4.05Å
72	L	98.7	Very high	98.1	Very high	31 Å²	31	61.4 Å²	61.4	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-37.1	-179.6	-68	171.7	0	0	0	112.6	E68 A69 V70 E74 L75 E76 L160 L161 I221	E68-L72 HydrophobicContact CG-CD1 4.03Å; E68-L72 HydrophobicContact CG-CG 4.45Å; E68-L72 VanDerWaalsContact O-CG 3.26Å; E68-L72 WeakPolarHBondContact O-CG 3.27Å; E68-L72 PolarHBondContact O-N 3.23Å; A69-L72 PolarHBondContact O-N 3Å; V70-L72 VanDerWaalsContact C-N 3.34Å; V70-L72 PolarHBondContact O-N 2.75Å; L72-E74 PolarHBondContact O-N 2.95Å; L72-L75 PolarHBondContact O-N 3.02Å; L72-E76 VanDerWaalsContact O-CB 3.27Å; L72-E76 WeakPolarHBondContact O-CB 3.16Å; L72-E76 VanDerWaalsContact O-CG 3.29Å; L72-E76 WeakPolarHBondContact O-CG 3.43Å; L72-E76 PolarHBondContact O-N 3.26Å; L72-L160 HydrophobicContact CD2-CD1 4.41Å; L72-L161 HydrophobicContact CD1-CD2 3.55Å; L72-L161 HydrophobicContact CD2-CD1 4.46Å; L72-L161 HydrophobicContact CD2-CD2 3.81Å; L72-L161 HydrophobicContact CD2-CG 4.13Å; L72-L161 HydrophobicContact CG-CD2 4.34Å; L72-I221 HydrophobicContact CD2-CD1 3.73Å
73	Q	98.6	Very high	98	Very high	156 Å²	156	70.5 Å²	70.5	73%	0.729	33%	0.333	S	S	*	.	H	α-helix	trans	-60	-38	176.1	-176.9	178.4	-6.9	0	0	111.6	A69 V70 L71 P77	A69-Q73 WeakPolarHBondContact O-CB 3.49Å; A69-Q73 PolarHBondContact O-N 2.99Å; V70-Q73 PolarHBondContact O-N 2.84Å; L71-Q73 PolarHBondContact O-N 2.89Å; Q73-P77 WeakPolarHBondContact O-CD 3.44Å
74	E	98.4	Very high	97.8	Very high	36 Å²	36	73.1 Å²	73.1	17%	0.168	34%	0.343	C	S	.	.	H	α-helix	trans	-78.4	-39.6	177.1	-172	173.1	163.4	0	0	112.9	V70 L71 L72 R101 W104 A105 C108	V70-E74 PolarHBondContact O-N 2.74Å; L71-E74 PolarHBondContact O-N 2.97Å; L72-E74 PolarHBondContact O-N 2.95Å; E74-R101 IonicContact OE1-CZ 3.54Å; E74-R101 IonicContact OE1-NE 3.03Å; E74-R101 IonicContact OE1-NH2 3.32Å; E74-R101 PolarHBondContact OE1-NH2 2.88Å; E74-W104 WeakPolarHBondContact OE1-CA 3.39Å; E74-A105 PolarHBondContact OE1-N 2.7Å; E74-A105 WeakPolarHBondContact OE2-CB 3.44Å; E74-A105 PolarHBondContact OE2-N 3.28Å; E74-C108 WeakPolarHBondContact OE2-CB 3.46Å; E74-C108 PolarHBondContact OE2-SG 3.38Å
75	L	98.4	Very high	97.5	Very high	1 Å²	1	74.3 Å²	74.3	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-80.6	-38.4	-172.6	-68.9	176.4	0	0	0	114	L71 L72 E78 L79 W104 V132 L160 I221 V223	L71-L75 WeakPolarHBondContact O-CB 3.42Å; L71-L75 WeakPolarHBondContact O-CG 3.46Å; L71-L75 PolarHBondContact O-N 2.85Å; L72-L75 PolarHBondContact O-N 3.02Å; L75-E78 PolarHBondContact O-N 3.04Å; L75-L79 HydrophobicContact CB-CD1 3.99Å; L75-L79 WeakPolarHBondContact O-CG 3.39Å; L75-L79 PolarHBondContact O-N 2.96Å; L75-L79 VanDerWaalsContact O-N 3.08Å; L75-W104 HydrophobicContact CD1-CH2 4.38Å; L75-W104 HydrophobicContact CD1-CZ3 4.38Å; L75-W104 HydrophobicContact CD2-CH2 3.67Å; L75-W104 HydrophobicContact CD2-CZ3 3.68Å; L75-W104 HydrophobicContact CG-CH2 4.35Å; L75-W104 HydrophobicContact CG-CZ3 4.09Å; L75-V132 HydrophobicContact CD1-CG1 4.02Å; L75-V132 HydrophobicContact CD2-CB 4.48Å; L75-V132 HydrophobicContact CD2-CG1 4.01Å; L75-V132 HydrophobicContact CD2-CG2 3.92Å; L75-L160 HydrophobicContact CD1-CD1 4.43Å; L75-I221 HydrophobicContact CD1-CG2 4.29Å; L75-V223 HydrophobicContact CD1-CG2 3.94Å
76	E	97.9	Very high	96.7	Very high	17 Å²	17	74.1 Å²	74.1	8%	0.079	34%	0.342	C	S	.	.	H	α-helix	trans	-61.4	-40.8	-171.3	-78.3	-63.1	-102.8	0	0	115.8	L72 E78 L79 R80 R219	L72-E76 VanDerWaalsContact O-CB 3.27Å; L72-E76 WeakPolarHBondContact O-CB 3.16Å; L72-E76 VanDerWaalsContact O-CG 3.29Å; L72-E76 WeakPolarHBondContact O-CG 3.43Å; L72-E76 PolarHBondContact O-N 3.26Å; E76-E78 PolarHBondContact O-N 3.35Å; E76-L79 PolarHBondContact O-N 2.83Å; E76-R80 VanDerWaalsContact O-CB 3.3Å; E76-R80 WeakPolarHBondContact O-CB 3.48Å; E76-R80 VanDerWaalsContact O-CG 3.27Å; E76-R80 WeakPolarHBondContact O-CG 3.35Å; E76-R80 PolarHBondContact O-N 3.42Å; E76-R80 IonicContact OE1-CZ 2.7Å; E76-R80 IonicContact OE1-NE 3.46Å; E76-R80 PolarHBondContact OE1-NE 2.78Å; E76-R80 IonicContact OE1-NH2 2.66Å; E76-R80 PolarHBondContact OE1-NH2 3.2Å; E76-R219 VanDerWaalsContact CD-NH2 3.3Å; E76-R219 IonicContact OE1-CZ 3.08Å; E76-R219 IonicContact OE1-NH1 3.81Å; E76-R219 PolarHBondContact OE1-NH1 2.96Å; E76-R219 IonicContact OE1-NH2 3.25Å; E76-R219 PolarHBondContact OE1-NH2 2.74Å; E76-R219 IonicContact OE2-CZ 3.97Å; E76-R219 IonicContact OE2-NH1 2.69Å; E76-R219 IonicContact OE2-NH2 2.98Å; E76-R219 PolarHBondContact OE2-NH2 3.07Å
77	P	97.7	Very high	95.2	Very high	76 Å²	76	75.5 Å²	75.5	49%	0.494	35%	0.353	S	S	.	.	H	α-helix	trans	-59	-30.9	180	-26.5	36	0	0	0	113.5	Q73 K81	Q73-P77 WeakPolarHBondContact O-CD 3.44Å; P77-K81 WeakPolarHBondContact O-CD 3.49Å; P77-K81 WeakPolarHBondContact O-CE 3.36Å; P77-K81 WeakPolarHBondContact O-CG 3.36Å
78	E	96.2	Very high	93.5	Very high	63 Å²	63	76.1 Å²	76.1	29%	0.294	36%	0.356	S	S	.	.	H	α-helix	trans	-87.1	-47.9	178.8	-170.2	177.7	142	0	0	111.9	L75 E76 R80 K81 T99 R101	L75-E78 PolarHBondContact O-N 3.04Å; E76-E78 PolarHBondContact O-N 3.35Å; E78-R80 VanDerWaalsContact C-N 3.29Å; E78-R80 PolarHBondContact O-N 3.06Å; E78-K81 WeakPolarHBondContact O-CB 3.26Å; E78-K81 PolarHBondContact O-N 2.93Å; E78-K81 VanDerWaalsContact O-N 3.11Å; E78-T99 VanDerWaalsContact OE1-CB 3.29Å; E78-T99 WeakPolarHBondContact OE1-CB 3.24Å; E78-T99 PolarHBondContact OE1-OG1 2.99Å; E78-R101 IonicContact OE2-CZ 3.85Å; E78-R101 IonicContact OE2-NH1 3.93Å; E78-R101 PolarHBondContact OE2-NH1 2.75Å
79	L	97.6	Very high	91.6	Very high	0 Å²	0	86.6 Å²	86.6	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-58	-43.1	179.9	-70.6	172.5	0	0	0	111.1	L75 E76 K81 K82 R97 T99 V132 D134 I221	L75-L79 HydrophobicContact CB-CD1 3.99Å; L75-L79 WeakPolarHBondContact O-CG 3.39Å; L75-L79 PolarHBondContact O-N 2.96Å; L75-L79 VanDerWaalsContact O-N 3.08Å; E76-L79 PolarHBondContact O-N 2.83Å; L79-K81 PolarHBondContact O-N 3.23Å; L79-K81 VanDerWaalsContact O-N 3.12Å; L79-K82 WeakPolarHBondContact O-CB 3.39Å; L79-K82 PolarHBondContact O-N 2.92Å; L79-R97 VanDerWaalsContact C-CZ 3.45Å; L79-R97 HydrophobicContact CD2-CG 4.41Å; L79-R97 VanDerWaalsContact O-CD 3.27Å; L79-R97 WeakPolarHBondContact O-CD 3.43Å; L79-R97 PolarHBondContact O-NE 3.2Å; L79-R97 PolarHBondContact O-NH1 3.23Å; L79-T99 HydrophobicContact CD2-CG2 4.37Å; L79-V132 HydrophobicContact CD1-CG1 4.28Å; L79-V132 HydrophobicContact CD2-CG1 4.44Å; L79-D134 HydrophobicContact CD1-CB 4.13Å; L79-D134 HydrophobicContact CD2-CB 4.06Å; L79-I221 HydrophobicContact CD1-CD1 3.78Å; L79-I221 HydrophobicContact CD1-CG1 4.31Å
80	R	96.4	Very high	90.2	Very high	171 Å²	171	87.7 Å²	87.7	65%	0.645	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.1	179.9	-72.3	179.1	-173.3	172	3.9	114.8	E76 E78 K82	E76-R80 VanDerWaalsContact O-CB 3.3Å; E76-R80 WeakPolarHBondContact O-CB 3.48Å; E76-R80 VanDerWaalsContact O-CG 3.27Å; E76-R80 WeakPolarHBondContact O-CG 3.35Å; E76-R80 PolarHBondContact O-N 3.42Å; E76-R80 IonicContact OE1-CZ 2.7Å; E76-R80 IonicContact OE1-NE 3.46Å; E76-R80 PolarHBondContact OE1-NE 2.78Å; E76-R80 IonicContact OE1-NH2 2.66Å; E76-R80 PolarHBondContact OE1-NH2 3.2Å; E78-R80 VanDerWaalsContact C-N 3.29Å; E78-R80 PolarHBondContact O-N 3.06Å; R80-K82 VanDerWaalsContact C-N 3.31Å
81	K	96.8	Very high	89.4	Confident	176 Å²	176	89.1 Å²	89.1	77%	0.765	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-19.8	176.2	-65.6	171	-176.1	172.9	0	112.3	P77 E78 L79	P77-K81 WeakPolarHBondContact O-CD 3.49Å; P77-K81 WeakPolarHBondContact O-CE 3.36Å; P77-K81 WeakPolarHBondContact O-CG 3.36Å; E78-K81 WeakPolarHBondContact O-CB 3.26Å; E78-K81 PolarHBondContact O-N 2.93Å; E78-K81 VanDerWaalsContact O-N 3.11Å; L79-K81 PolarHBondContact O-N 3.23Å; L79-K81 VanDerWaalsContact O-N 3.12Å
82	K	96.2	Very high	88.9	Confident	85 Å²	85	89.9 Å²	89.9	37%	0.37	41%	0.406	S	S	.	.	S	Bend	trans	-90.7	142.5	179.4	-65.5	173.5	171.7	-110.7	0	110.3	L79 R80 R97 E98	L79-K82 WeakPolarHBondContact O-CB 3.39Å; L79-K82 PolarHBondContact O-N 2.92Å; R80-K82 VanDerWaalsContact C-N 3.31Å; K82-R97 HydrophobicContact CB-CB 4.12Å; K82-R97 WeakPolarHBondContact O-CD 3.43Å; K82-R97 PolarHBondContact O-NH1 3.08Å; K82-E98 WeakPolarHBondContact CD-O 3.36Å; K82-E98 WeakPolarHBondContact CE-O 3.4Å; K82-E98 PolarHBondContact NZ-O 2.72Å
83	R	95.5	Very high	88.7	Confident	221 Å²	221	89.5 Å²	89.5	83%	0.834	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-82.5	153.3	171.7	-63.4	-174.9	-179.6	-156.3	-0.1	109.2
84	Y	96.1	Very high	88.5	Confident	58 Å²	58	83.2 Å²	83.2	23%	0.227	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-71.4	136.3	169	-76	-77.5	0	0	0	110	G95 Y96 R97 D134 D136 R219	Y84-G95 WeakPolarHBondContact CD1-O 3.28Å; Y84-Y96 CarbonylContact C-O 3.51Å; Y84-Y96 VanDerWaalsContact CA-O 3.31Å; Y84-Y96 WeakPolarHBondContact CA-O 3.23Å; Y84-Y96 VanDerWaalsContact CD1-C 3.45Å; Y84-R97 HydrophobicContact CD1-CB 4.39Å; Y84-R97 HydrophobicContact CD1-CG 4.26Å; Y84-R97 HydrophobicContact CE1-CG 4.01Å; Y84-D134 WeakPolarHBondContact CE1-O 3.49Å; Y84-D134 PolarHBondContact OH-OD1 2.66Å; Y84-D134 PolarHBondContact OH-OD2 2.93Å; Y84-D136 HydrophobicContact CD1-CB 3.97Å; Y84-D136 HydrophobicContact CE1-CB 3.78Å; Y84-D136 HydrophobicContact CE2-CB 4.36Å; Y84-D136 HydrophobicContact CG-CB 4.37Å; Y84-R219 PolarHBondContact OH-NE 2.91Å
85	E	91.7	Very high	88.4	Confident	89 Å²	89	81.6 Å²	81.6	42%	0.416	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-103.3	132.3	177.5	-62.5	-179.9	-145	0	0	108.7	G95 Y96	E85-G95 WeakPolarHBondContact O-CA 3.17Å; E85-G95 PolarHBondContact O-N 2.72Å; E85-Y96 HydrophobicContact CB-CD1 4.35Å; E85-Y96 HydrophobicContact CB-CE1 3.97Å; E85-Y96 PolarHBondContact N-O 2.76Å; E85-Y96 PolarHBondContact O-N 3.28Å; E85-Y96 VanDerWaalsContact O-N 3.07Å
86	F	81.1	Confident	88.3	Confident	106 Å²	106	81.6 Å²	81.6	47%	0.465	37%	0.368	S	S	.	.			trans	-119.6	-14.1	-179.5	-68.3	-90.5	0	0	0	112.6
87	D	68.1	Low	88.3	Confident	157 Å²	157	81.8 Å²	81.8	84%	0.84	37%	0.367	S	S	*	.			trans	-124.4	109.9	177.5	-59.5	-51.3	0	0	0	107.8
88	H	63.4	Low	88.3	Confident	53 Å²	53	81 Å²	81	25%	0.245	36%	0.357	C	S	.	.			trans	-124.3	151.2	175.4	-169.2	-106.1	0	0	0	110.5	D90 D91 Y96	H88-D90 VanDerWaalsContact C-N 3.29Å; H88-D90 IonicContact CE1-OD1 2.72Å; H88-D90 IonicContact CE1-OD2 3.65Å; H88-D90 IonicContact CG-OD1 2.98Å; H88-D90 VanDerWaalsContact ND1-CG 3.29Å; H88-D90 IonicContact ND1-OD1 2.65Å; H88-D90 PolarHBondContact ND1-OD1 3.24Å; H88-D90 IonicContact ND1-OD2 3.52Å; H88-D90 PolarHBondContact O-N 3.28Å; H88-D91 PolarHBondContact O-N 2.92Å; H88-Y96 HydrophobicContact CB-CE1 4.27Å; H88-Y96 PolarHBondContact CD2-OH 3.02Å; H88-Y96 VanDerWaalsContact CG-OH 3.23Å
89	W	58.8	Low	88.3	Confident	221 Å²	221	78.7 Å²	78.7	84%	0.837	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-26.4	-169.1	69.5	-88.4	0	0	0	114
90	D	69.9	Low	88.3	Confident	78 Å²	78	85 Å²	85	42%	0.417	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-5.1	174	67.2	12.3	0	0	0	113.4	H88 A92	H88-D90 VanDerWaalsContact C-N 3.29Å; H88-D90 IonicContact CE1-OD1 2.72Å; H88-D90 IonicContact CE1-OD2 3.65Å; H88-D90 IonicContact CG-OD1 2.98Å; H88-D90 VanDerWaalsContact ND1-CG 3.29Å; H88-D90 IonicContact ND1-OD1 2.65Å; H88-D90 PolarHBondContact ND1-OD1 3.24Å; H88-D90 IonicContact ND1-OD2 3.52Å; H88-D90 PolarHBondContact O-N 3.28Å; D90-A92 PolarHBondContact O-N 2.72Å; D90-A92 PolarHBondContact OD1-N 3.2Å
91	D	81.8	Confident	88.3	Confident	76 Å²	76	78.7 Å²	78.7	41%	0.406	35%	0.353	S	S	.	.			trans	56.7	14.8	174.7	-167.5	27	0	0	0	115	H88 H94 K142	H88-D91 PolarHBondContact O-N 2.92Å; D91-H94 PolarHBondContact O-NE2 3.03Å; D91-H94 IonicContact OD1-CE1 3.2Å; D91-H94 PolarHBondContact OD1-CE1 3.33Å; D91-H94 IonicContact OD1-NE2 3.2Å; D91-H94 PolarHBondContact OD1-NE2 3.47Å; D91-K142 VanDerWaalsContact O-CD 3.32Å; D91-K142 WeakPolarHBondContact O-CD 3.46Å; D91-K142 PolarHBondContact O-NZ 3.34Å; D91-K142 IonicContact OD1-NZ 2.85Å; D91-K142 PolarHBondContact OD1-NZ 2.83Å; D91-K142 IonicContact OD2-NZ 2.82Å; D91-K142 PolarHBondContact OD2-NZ 3.33Å
92	A	88.6	Confident	88.2	Confident	16 Å²	16	76.5 Å²	76.5	13%	0.132	35%	0.349	C	S	.	.			trans	-79.3	-34.3	-172.5	0	0	0	0	0	113.3	D90 K142	D90-A92 PolarHBondContact O-N 2.72Å; D90-A92 PolarHBondContact OD1-N 3.2Å; A92-K142 PolarHBondContact O-N 3.29Å
93	I	93.3	Very high	88.2	Confident	23 Å²	23	82.8 Å²	82.8	12%	0.118	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.1	-176.2	-49.6	177.3	0	0	0	109.9	Y96 L133 L135 I141	I93-Y96 HydrophobicContact CB-CD1 3.81Å; I93-Y96 HydrophobicContact CB-CE1 3.98Å; I93-Y96 HydrophobicContact CB-CG 4.12Å; I93-Y96 HydrophobicContact CG2-CD1 3.48Å; I93-Y96 VanDerWaalsContact CG2-CD1 3.48Å; I93-Y96 HydrophobicContact CG2-CD2 4.08Å; I93-Y96 HydrophobicContact CG2-CE1 4.17Å; I93-Y96 HydrophobicContact CG2-CG 3.42Å; I93-Y96 VanDerWaalsContact CG2-CG 3.42Å; I93-Y96 WeakPolarHBondContact O-CD1 3.35Å; I93-Y96 VanDerWaalsContact O-CE1 3.32Å; I93-Y96 WeakPolarHBondContact O-CE1 3.36Å; I93-L133 HydrophobicContact CD1-CD1 4.26Å; I93-L133 HydrophobicContact CD1-CD2 4.13Å; I93-L133 HydrophobicContact CG2-CD1 4.28Å; I93-L133 HydrophobicContact CG2-CD2 4.44Å; I93-L135 HydrophobicContact CG2-CD2 3.87Å; I93-I141 HydrophobicContact CG1-CG1 4.39Å; I93-I141 HydrophobicContact CG1-CG2 4.19Å; I93-I141 HydrophobicContact CG2-CG1 4.16Å
94	H	95.6	Very high	88.3	Confident	25 Å²	25	73.4 Å²	73.4	12%	0.116	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.7	-174.5	-75.1	-106.4	0	0	0	110.8	D91 G139 Y140 K142	D91-H94 PolarHBondContact O-NE2 3.03Å; D91-H94 IonicContact OD1-CE1 3.2Å; D91-H94 PolarHBondContact OD1-CE1 3.33Å; D91-H94 IonicContact OD1-NE2 3.2Å; D91-H94 PolarHBondContact OD1-NE2 3.47Å; H94-G139 CarbonylContact O-C 3.58Å; H94-G139 WeakPolarHBondContact O-CA 3.07Å; H94-Y140 HydrophobicContact CB-CD1 3.62Å; H94-Y140 HydrophobicContact CB-CD2 4.49Å; H94-Y140 HydrophobicContact CB-CE1 3.21Å; H94-Y140 HydrophobicContact CB-CE2 4.18Å; H94-Y140 HydrophobicContact CB-CG 4.23Å; H94-Y140 AromaticContact CD2-CE2 3.92Å; H94-Y140 AromaticContact CD2-CZ 3.68Å; H94-Y140 AromaticContact CG-CE1 3.53Å; H94-Y140 AromaticContact CG-CE2 3.96Å; H94-Y140 AromaticContact CG-CZ 3.29Å; H94-Y140 VanDerWaalsContact CG-OH 3.28Å; H94-Y140 PolarHBondContact N-O 3.18Å; H94-Y140 AromaticContact ND1-CE1 3.98Å; H94-Y140 AromaticContact ND1-CZ 3.71Å; H94-Y140 PolarHBondContact ND1-OH 3.4Å; H94-Y140 PolarHBondContact O-N 2.91Å; H94-K142 WeakPolarHBondContact NE2-CE 3.37Å; H94-K142 PolarHBondContact NE2-NZ 3.43Å
95	G	96	Very high	88.4	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	61.5	49.2	176.9	0	0	0	0	0	112.1	Y84 E85 D136	Y84-G95 WeakPolarHBondContact CD1-O 3.28Å; E85-G95 WeakPolarHBondContact O-CA 3.17Å; E85-G95 PolarHBondContact O-N 2.72Å; G95-D136 WeakPolarHBondContact O-CB 3.42Å; G95-D136 PolarHBondContact O-N 3.49Å
96	Y	96.9	Very high	88.7	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.008	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	162.7	-172.3	78	-76.7	0	0	0	112.7	Y84 E85 H88 I93 E98 L133 D134	Y84-Y96 CarbonylContact C-O 3.51Å; Y84-Y96 VanDerWaalsContact CA-O 3.31Å; Y84-Y96 WeakPolarHBondContact CA-O 3.23Å; Y84-Y96 VanDerWaalsContact CD1-C 3.45Å; E85-Y96 HydrophobicContact CB-CD1 4.35Å; E85-Y96 HydrophobicContact CB-CE1 3.97Å; E85-Y96 PolarHBondContact N-O 2.76Å; E85-Y96 PolarHBondContact O-N 3.28Å; E85-Y96 VanDerWaalsContact O-N 3.07Å; H88-Y96 HydrophobicContact CB-CE1 4.27Å; H88-Y96 PolarHBondContact CD2-OH 3.02Å; H88-Y96 VanDerWaalsContact CG-OH 3.23Å; I93-Y96 HydrophobicContact CB-CD1 3.81Å; I93-Y96 HydrophobicContact CB-CE1 3.98Å; I93-Y96 HydrophobicContact CB-CG 4.12Å; I93-Y96 HydrophobicContact CG2-CD1 3.48Å; I93-Y96 VanDerWaalsContact CG2-CD1 3.48Å; I93-Y96 HydrophobicContact CG2-CD2 4.08Å; I93-Y96 HydrophobicContact CG2-CE1 4.17Å; I93-Y96 HydrophobicContact CG2-CG 3.42Å; I93-Y96 VanDerWaalsContact CG2-CG 3.42Å; I93-Y96 WeakPolarHBondContact O-CD1 3.35Å; I93-Y96 VanDerWaalsContact O-CE1 3.32Å; I93-Y96 WeakPolarHBondContact O-CE1 3.36Å; Y96-E98 HydrophobicContact CD2-CB 4.28Å; Y96-E98 HydrophobicContact CD2-CG 4.19Å; Y96-E98 HydrophobicContact CE2-CB 4.43Å; Y96-E98 HydrophobicContact CE2-CG 3.85Å; Y96-L133 HydrophobicContact CD2-CD1 3.57Å; Y96-L133 HydrophobicContact CG-CD1 4.06Å; Y96-D134 CarbonylContact C-O 3.53Å; Y96-D134 VanDerWaalsContact CA-O 3.26Å; Y96-D134 WeakPolarHBondContact CA-O 3.42Å
97	R	97.2	Very high	89.6	Confident	20 Å²	20	71.1 Å²	71.1	8%	0.075	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151	160.1	63.5	-171.8	-179.7	-170	-7.1	107.8	L79 K82 Y84 D134	L79-R97 VanDerWaalsContact C-CZ 3.45Å; L79-R97 HydrophobicContact CD2-CG 4.41Å; L79-R97 VanDerWaalsContact O-CD 3.27Å; L79-R97 WeakPolarHBondContact O-CD 3.43Å; L79-R97 PolarHBondContact O-NE 3.2Å; L79-R97 PolarHBondContact O-NH1 3.23Å; K82-R97 HydrophobicContact CB-CB 4.12Å; K82-R97 WeakPolarHBondContact O-CD 3.43Å; K82-R97 PolarHBondContact O-NH1 3.08Å; Y84-R97 HydrophobicContact CD1-CB 4.39Å; Y84-R97 HydrophobicContact CD1-CG 4.26Å; Y84-R97 HydrophobicContact CE1-CG 4.01Å; R97-D134 HydrophobicContact CG-CB 3.75Å; R97-D134 IonicContact CZ-OD2 3.79Å; R97-D134 VanDerWaalsContact CZ-OD2 3.22Å; R97-D134 PolarHBondContact N-O 2.83Å; R97-D134 IonicContact NE-OD2 3.64Å; R97-D134 PolarHBondContact NE-OD2 3.23Å; R97-D134 IonicContact NH2-OD2 3.81Å; R97-D134 PolarHBondContact NH2-OD2 2.91Å; R97-D134 PolarHBondContact O-N 3.13Å
98	E	97.1	Very high	91	Very high	59 Å²	59	63.7 Å²	63.7	28%	0.276	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	162.6	-173.1	65	-175.8	179.8	0	0	113.3	K82 Y96 H131 V132 L133	K82-E98 WeakPolarHBondContact CD-O 3.36Å; K82-E98 WeakPolarHBondContact CE-O 3.4Å; K82-E98 PolarHBondContact NZ-O 2.72Å; Y96-E98 HydrophobicContact CD2-CB 4.28Å; Y96-E98 HydrophobicContact CD2-CG 4.19Å; Y96-E98 HydrophobicContact CE2-CB 4.43Å; Y96-E98 HydrophobicContact CE2-CG 3.85Å; E98-H131 IonicContact OE2-CD2 2.75Å; E98-H131 IonicContact OE2-CE1 3.82Å; E98-H131 IonicContact OE2-NE2 2.72Å; E98-H131 PolarHBondContact OE2-NE2 3.47Å; E98-V132 CarbonylContact C-O 3.5Å; E98-V132 WeakPolarHBondContact CA-O 3.32Å; E98-V132 VanDerWaalsContact CB-O 3.32Å; E98-V132 WeakPolarHBondContact CB-O 3.38Å; E98-L133 HydrophobicContact CB-CD1 4.02Å
99	T	96.9	Very high	92.7	Very high	16 Å²	16	63.7 Å²	63.7	10%	0.098	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	164.7	169.1	-168.1	0	0	0	0	110.5	E78 L79 R101 V132	E78-T99 VanDerWaalsContact OE1-CB 3.29Å; E78-T99 WeakPolarHBondContact OE1-CB 3.24Å; E78-T99 PolarHBondContact OE1-OG1 2.99Å; L79-T99 HydrophobicContact CD2-CG2 4.37Å; T99-R101 HydrophobicContact CG2-CG 4.01Å; T99-V132 HydrophobicContact CG2-CB 3.95Å; T99-V132 HydrophobicContact CG2-CG2 4.43Å; T99-V132 PolarHBondContact N-O 2.71Å; T99-V132 PolarHBondContact O-N 3.18Å
100	E	97.1	Very high	94.6	Very high	132 Å²	132	59.7 Å²	59.7	62%	0.617	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.2	178	-80.1	-166.4	154.1	0	0	108.4	P129 V130	E100-P129 HydrophobicContact CB-CB 3.78Å; E100-P129 HydrophobicContact CB-CG 3.98Å; E100-V130 WeakPolarHBondContact CA-O 3.41Å
101	R	96.5	Very high	95.9	Very high	39 Å²	39	56.2 Å²	56.2	15%	0.147	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121	-171.7	-61.8	-175	72.4	85.7	-5.4	112.3	E74 E78 T99 W104 V130 V132	E74-R101 IonicContact OE1-CZ 3.54Å; E74-R101 IonicContact OE1-NE 3.03Å; E74-R101 IonicContact OE1-NH2 3.32Å; E74-R101 PolarHBondContact OE1-NH2 2.88Å; E78-R101 IonicContact OE2-CZ 3.85Å; E78-R101 IonicContact OE2-NH1 3.93Å; E78-R101 PolarHBondContact OE2-NH1 2.75Å; T99-R101 HydrophobicContact CG2-CG 4.01Å; R101-W104 HydrophobicContact CB-CZ2 3.81Å; R101-W104 HydrophobicContact CG-CZ2 4.32Å; R101-W104 PolarHBondContact O-NE1 2.82Å; R101-V130 PolarHBondContact N-O 3.09Å; R101-V130 PolarHBondContact O-N 3.22Å; R101-V132 HydrophobicContact CG-CG2 4.47Å
102	L	95.1	Very high	96.7	Very high	129 Å²	129	52.7 Å²	52.7	68%	0.675	26%	0.263	S	S	*	.	S	Bend	trans	-88.9	-32	173.1	-73.8	167.9	0	0	0	113.1	P129	L102-P129 HydrophobicContact CD1-CG 4.39Å; L102-P129 HydrophobicContact CD2-CB 3.89Å; L102-P129 HydrophobicContact CD2-CG 3.85Å; L102-P129 HydrophobicContact CG-CB 3.84Å; L102-P129 HydrophobicContact CG-CG 3.79Å
103	R	95.9	Very high	97.2	Very high	217 Å²	217	55.6 Å²	55.6	82%	0.819	28%	0.276	S	S	*	.			trans	-118.6	137.6	-174.7	-64.3	-173.6	-65.1	-111	-1	109.6
104	W	98	Very high	97.4	Very high	24 Å²	24	58.5 Å²	58.5	9%	0.091	29%	0.286	C	S	.	.			trans	-128.7	150.4	179	-66.5	88.4	0	0	0	109.7	L71 E74 L75 R101 C108 E109 L112 V130 V132 V223	L71-W104 HydrophobicContact CD2-CZ3 4.1Å; E74-W104 WeakPolarHBondContact OE1-CA 3.39Å; L75-W104 HydrophobicContact CD1-CH2 4.38Å; L75-W104 HydrophobicContact CD1-CZ3 4.38Å; L75-W104 HydrophobicContact CD2-CH2 3.67Å; L75-W104 HydrophobicContact CD2-CZ3 3.68Å; L75-W104 HydrophobicContact CG-CH2 4.35Å; L75-W104 HydrophobicContact CG-CZ3 4.09Å; R101-W104 HydrophobicContact CB-CZ2 3.81Å; R101-W104 HydrophobicContact CG-CZ2 4.32Å; R101-W104 PolarHBondContact O-NE1 2.82Å; W104-C108 HydrophobicContact CB-CB 4.06Å; W104-C108 HydrophobicContact CD2-CB 4.4Å; W104-C108 HydrophobicContact CE3-CB 3.67Å; W104-C108 HydrophobicContact CZ3-CB 4.43Å; W104-E109 HydrophobicContact CB-CB 4.19Å; W104-L112 HydrophobicContact CB-CD1 4.39Å; W104-L112 VanDerWaalsContact CD1-CD1 3.49Å; W104-L112 HydrophobicContact CD2-CD1 3.48Å; W104-L112 VanDerWaalsContact CD2-CD1 3.48Å; W104-L112 HydrophobicContact CE3-CD1 4.17Å; W104-L112 HydrophobicContact CG-CD1 3.56Å; W104-L112 HydrophobicContact CH2-CD1 4.44Å; W104-L112 HydrophobicContact CZ2-CD1 3.89Å; W104-V130 HydrophobicContact CZ2-CB 4.08Å; W104-V130 HydrophobicContact CZ2-CG1 3.93Å; W104-V132 HydrophobicContact CH2-CG2 3.8Å; W104-V132 HydrophobicContact CZ2-CG2 4Å; W104-V223 HydrophobicContact CH2-CG1 3.92Å; W104-V223 HydrophobicContact CH2-CG2 4.49Å; W104-V223 HydrophobicContact CZ2-CG1 4.09Å
105	A	98.1	Very high	97.5	Very high	43 Å²	43	57.3 Å²	57.3	36%	0.355	28%	0.281	S	S	.	.			trans	-62.2	151.2	169.8	0	0	0	0	0	109.6	E74 P107 C108 E109	E74-A105 PolarHBondContact OE1-N 2.7Å; E74-A105 WeakPolarHBondContact OE2-CB 3.44Å; E74-A105 PolarHBondContact OE2-N 3.28Å; A105-P107 VanDerWaalsContact C-CD 3.46Å; A105-P107 VanDerWaalsContact C-N 3.32Å; A105-P107 VanDerWaalsContact O-N 3.15Å; A105-C108 PolarHBondContact O-N 2.72Å; A105-E109 PolarHBondContact O-N 2.61Å
106	P	98.6	Very high	97.6	Very high	98 Å²	98	59.7 Å²	59.7	64%	0.636	29%	0.289	S	S	*	.	H	α-helix	trans	-50.3	-42.7	-175.3	-25.4	32.2	0	0	0	114.8	C108 E109 E110	P106-C108 PolarHBondContact O-N 3.23Å; P106-E109 PolarHBondContact O-N 2.97Å; P106-E110 WeakPolarHBondContact O-CG 3.49Å; P106-E110 PolarHBondContact O-N 2.99Å
107	P	98.3	Very high	97.6	Very high	65 Å²	65	63.9 Å²	63.9	42%	0.422	32%	0.319	S	S	.	.	H	α-helix	trans	-62.5	-39.4	176.3	-26.1	38	0	0	0	114.2	V70 A105 I111	V70-P107 HydrophobicContact CG1-CB 3.57Å; A105-P107 VanDerWaalsContact C-CD 3.46Å; A105-P107 VanDerWaalsContact C-N 3.32Å; A105-P107 VanDerWaalsContact O-N 3.15Å; P107-I111 WeakPolarHBondContact O-CG1 3.47Å; P107-I111 PolarHBondContact O-N 2.94Å
108	C	98.6	Very high	97.6	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.007	33%	0.327	C	S	.	.	H	α-helix	trans	-70.5	-38.4	176.3	-66.2	0	0	0	0	111.5	L71 E74 W104 A105 P106 E110 I111 L112	L71-C108 HydrophobicContact CD2-CB 4.08Å; E74-C108 WeakPolarHBondContact OE2-CB 3.46Å; E74-C108 PolarHBondContact OE2-SG 3.38Å; W104-C108 HydrophobicContact CB-CB 4.06Å; W104-C108 HydrophobicContact CD2-CB 4.4Å; W104-C108 HydrophobicContact CE3-CB 3.67Å; W104-C108 HydrophobicContact CZ3-CB 4.43Å; A105-C108 PolarHBondContact O-N 2.72Å; P106-C108 PolarHBondContact O-N 3.23Å; C108-E110 VanDerWaalsContact C-N 3.31Å; C108-E110 PolarHBondContact O-N 2.73Å; C108-I111 WeakPolarHBondContact O-CB 3.19Å; C108-I111 PolarHBondContact O-N 2.91Å; C108-L112 WeakPolarHBondContact O-CG 3.07Å; C108-L112 PolarHBondContact O-N 3.14Å
109	E	98.3	Very high	97.6	Very high	52 Å²	52	62.1 Å²	62.1	24%	0.243	31%	0.314	C	S	.	.	H	α-helix	trans	-64.2	-36	177.4	-170.7	62.7	-158.2	0	0	111.5	W104 A105 P106 L112 N113 R116	W104-E109 HydrophobicContact CB-CB 4.19Å; A105-E109 PolarHBondContact O-N 2.61Å; P106-E109 PolarHBondContact O-N 2.97Å; E109-L112 PolarHBondContact O-N 3.31Å; E109-N113 WeakPolarHBondContact O-CB 3.27Å; E109-N113 PolarHBondContact O-N 3.23Å; E109-N113 PolarHBondContact O-ND2 3.34Å; E109-N113 VanDerWaalsContact O-ND2 3.12Å; E109-R116 IonicContact OE1-CZ 2.76Å; E109-R116 IonicContact OE1-NH1 3.72Å; E109-R116 PolarHBondContact OE1-NH1 2.99Å; E109-R116 IonicContact OE1-NH2 3.91Å; E109-R116 IonicContact OE2-NH2 2.82Å
110	E	98.4	Very high	97.6	Very high	138 Å²	138	62 Å²	62	65%	0.645	31%	0.312	S	S	*	.	H	α-helix	trans	-60.6	-44.8	172.3	-75.1	177	-175	0	0	112.3	P106 C108 N113 R114	P106-E110 WeakPolarHBondContact O-CG 3.49Å; P106-E110 PolarHBondContact O-N 2.99Å; C108-E110 VanDerWaalsContact C-N 3.31Å; C108-E110 PolarHBondContact O-N 2.73Å; E110-N113 PolarHBondContact O-N 2.92Å; E110-R114 PolarHBondContact O-N 3.08Å
111	I	98.8	Very high	97.4	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-46.8	175.7	-63.2	162.8	0	0	0	110.2	I63 E67 L71 P107 C108 N113 R114 V115 L158	I63-I111 HydrophobicContact CG2-CG2 3.76Å; E67-I111 HydrophobicContact CB-CD1 3.65Å; E67-I111 HydrophobicContact CB-CG1 4.22Å; E67-I111 HydrophobicContact CG-CD1 3.98Å; E67-I111 HydrophobicContact CG-CG1 4.15Å; L71-I111 HydrophobicContact CD1-CD1 4.27Å; L71-I111 HydrophobicContact CD1-CG2 4.3Å; L71-I111 HydrophobicContact CD2-CD1 4.46Å; L71-I111 HydrophobicContact CG-CD1 3.99Å; P107-I111 WeakPolarHBondContact O-CG1 3.47Å; P107-I111 PolarHBondContact O-N 2.94Å; C108-I111 WeakPolarHBondContact O-CB 3.19Å; C108-I111 PolarHBondContact O-N 2.91Å; I111-N113 PolarHBondContact O-N 3.06Å; I111-R114 WeakPolarHBondContact O-CB 3.33Å; I111-R114 PolarHBondContact O-N 3.13Å; I111-R114 VanDerWaalsContact O-N 3.14Å; I111-V115 PolarHBondContact O-N 3.05Å; I111-L158 HydrophobicContact CG2-CD1 4Å
112	L	98.3	Very high	97.1	Very high	1 Å²	1	70.2 Å²	70.2	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-66.1	-36.9	179.7	-68	175.8	0	0	0	112.3	W104 C108 E109 R114 V115 R116 V223	W104-L112 HydrophobicContact CB-CD1 4.39Å; W104-L112 VanDerWaalsContact CD1-CD1 3.49Å; W104-L112 HydrophobicContact CD2-CD1 3.48Å; W104-L112 VanDerWaalsContact CD2-CD1 3.48Å; W104-L112 HydrophobicContact CE3-CD1 4.17Å; W104-L112 HydrophobicContact CG-CD1 3.56Å; W104-L112 HydrophobicContact CH2-CD1 4.44Å; W104-L112 HydrophobicContact CZ2-CD1 3.89Å; C108-L112 WeakPolarHBondContact O-CG 3.07Å; C108-L112 PolarHBondContact O-N 3.14Å; E109-L112 PolarHBondContact O-N 3.31Å; L112-R114 VanDerWaalsContact C-N 3.27Å; L112-R114 PolarHBondContact O-N 3.42Å; L112-V115 WeakPolarHBondContact O-CB 3.17Å; L112-V115 PolarHBondContact O-N 2.83Å; L112-R116 WeakPolarHBondContact O-CB 3.46Å; L112-R116 WeakPolarHBondContact O-CD 3.35Å; L112-R116 WeakPolarHBondContact O-CG 3.49Å; L112-R116 PolarHBondContact O-N 3.26Å; L112-V223 HydrophobicContact CD2-CG1 3.83Å
113	N	97.4	Very high	96.7	Very high	77 Å²	77	67.8 Å²	67.8	41%	0.412	36%	0.355	S	S	.	.	H	α-helix	trans	-62.3	-37.5	172.7	-75.4	-30.9	0	0	0	111.7	E109 E110 I111 R116 S117	E109-N113 WeakPolarHBondContact O-CB 3.27Å; E109-N113 PolarHBondContact O-N 3.23Å; E109-N113 PolarHBondContact O-ND2 3.34Å; E109-N113 VanDerWaalsContact O-ND2 3.12Å; E110-N113 PolarHBondContact O-N 2.92Å; I111-N113 PolarHBondContact O-N 3.06Å; N113-R116 PolarHBondContact O-N 2.79Å; N113-R116 PolarHBondContact OD1-NH1 3.39Å; N113-S117 WeakPolarHBondContact O-CB 3.27Å; N113-S117 PolarHBondContact O-N 3.38Å; N113-S117 PolarHBondContact O-OG 2.99Å
114	R	98.4	Very high	96.4	Very high	84 Å²	84	58.8 Å²	58.8	32%	0.317	33%	0.325	S	S	.	.	H	α-helix	trans	-64.6	-46.6	172.9	-164.6	169.2	65.7	-130.7	8.1	111.7	F62 E67 E110 I111 L112 R116 S117 V118	F62-R114 HydrophobicContact CZ-CG 3.99Å; F62-R114 PolarHBondContact O-NH2 3.44Å; E67-R114 IonicContact OE1-CZ 3.77Å; E67-R114 IonicContact OE1-NH1 2.76Å; E67-R114 PolarHBondContact OE1-NH1 3.25Å; E67-R114 IonicContact OE1-NH2 3.71Å; E67-R114 PolarHBondContact OE1-NH2 2.9Å; E67-R114 IonicContact OE2-CZ 3.21Å; E67-R114 IonicContact OE2-NH2 2.66Å; E67-R114 PolarHBondContact OE2-NH2 3.18Å; E110-R114 PolarHBondContact O-N 3.08Å; I111-R114 WeakPolarHBondContact O-CB 3.33Å; I111-R114 PolarHBondContact O-N 3.13Å; I111-R114 VanDerWaalsContact O-N 3.14Å; L112-R114 VanDerWaalsContact C-N 3.27Å; L112-R114 PolarHBondContact O-N 3.42Å; R114-R116 VanDerWaalsContact C-N 3.31Å; R114-R116 PolarHBondContact O-N 2.9Å; R114-S117 PolarHBondContact O-N 3.36Å; R114-S117 PolarHBondContact O-OG 3.06Å; R114-V118 WeakPolarHBondContact O-CB 3.15Å; R114-V118 WeakPolarHBondContact O-CG2 3.39Å; R114-V118 PolarHBondContact O-N 3.09Å; R114-V118 VanDerWaalsContact O-N 3.14Å
115	V	98.4	Very high	96.2	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.006	34%	0.344	C	S	.	.	H	α-helix	trans	-53.5	-50	172.5	172.9	0	0	0	0	110.5	F62 I111 L112 S117 V118 A119 A156 L158 L187	F62-V115 HydrophobicContact CD1-CG2 4.43Å; F62-V115 HydrophobicContact CE1-CG2 3.62Å; F62-V115 HydrophobicContact CZ-CG2 4.32Å; I111-V115 PolarHBondContact O-N 3.05Å; L112-V115 WeakPolarHBondContact O-CB 3.17Å; L112-V115 PolarHBondContact O-N 2.83Å; V115-S117 PolarHBondContact O-N 2.9Å; V115-V118 PolarHBondContact O-N 3.07Å; V115-A119 WeakPolarHBondContact O-CB 3.4Å; V115-A119 PolarHBondContact O-N 3.45Å; V115-A156 HydrophobicContact CG1-CB 4.15Å; V115-L158 HydrophobicContact CG2-CD1 3.73Å; V115-L158 HydrophobicContact CG2-CD2 3.89Å; V115-L158 HydrophobicContact CG2-CG 3.81Å; V115-L187 HydrophobicContact CG1-CD1 3.87Å; V115-L187 HydrophobicContact CG2-CD1 4.34Å
116	R	97.3	Very high	96	Very high	50 Å²	50	61.9 Å²	61.9	19%	0.189	34%	0.341	C	S	.	.	H	α-helix	trans	-60.3	-47	-177.5	-69.8	165.6	-173	158.3	2.7	111.9	E109 L112 N113 R114 V118 A119 F120 L126	E109-R116 IonicContact OE1-CZ 2.76Å; E109-R116 IonicContact OE1-NH1 3.72Å; E109-R116 PolarHBondContact OE1-NH1 2.99Å; E109-R116 IonicContact OE1-NH2 3.91Å; E109-R116 IonicContact OE2-NH2 2.82Å; L112-R116 WeakPolarHBondContact O-CB 3.46Å; L112-R116 WeakPolarHBondContact O-CD 3.35Å; L112-R116 WeakPolarHBondContact O-CG 3.49Å; L112-R116 PolarHBondContact O-N 3.26Å; N113-R116 PolarHBondContact O-N 2.79Å; N113-R116 PolarHBondContact OD1-NH1 3.39Å; R114-R116 VanDerWaalsContact C-N 3.31Å; R114-R116 PolarHBondContact O-N 2.9Å; R116-V118 PolarHBondContact O-N 3.49Å; R116-A119 PolarHBondContact O-N 2.92Å; R116-F120 PolarHBondContact O-N 2.93Å; R116-L126 HydrophobicContact CB-CD1 4.12Å; R116-L126 HydrophobicContact CG-CD1 3.47Å; R116-L126 VanDerWaalsContact CG-CD1 3.47Å
117	S	97.2	Very high	95.6	Very high	90 Å²	90	59.5 Å²	59.5	63%	0.629	32%	0.323	S	S	*	.	H	α-helix	trans	-63.4	-29.3	-179.8	73.1	0	0	0	0	113.8	N113 R114 V115	N113-S117 WeakPolarHBondContact O-CB 3.27Å; N113-S117 PolarHBondContact O-N 3.38Å; N113-S117 PolarHBondContact O-OG 2.99Å; R114-S117 PolarHBondContact O-N 3.36Å; R114-S117 PolarHBondContact O-OG 3.06Å; V115-S117 PolarHBondContact O-N 2.9Å
118	V	97.6	Very high	95.1	Very high	40 Å²	40	58.6 Å²	58.6	24%	0.242	33%	0.326	C	S	.	.	H	α-helix	trans	-87	-41.5	-178.4	163.3	0	0	0	0	111.5	F62 R114 V115 R116 L187 I189	F62-V118 HydrophobicContact CE2-CB 4.34Å; F62-V118 HydrophobicContact CE2-CG1 4.17Å; F62-V118 HydrophobicContact CE2-CG2 4.06Å; F62-V118 HydrophobicContact CZ-CB 4.42Å; F62-V118 HydrophobicContact CZ-CG2 4.22Å; R114-V118 WeakPolarHBondContact O-CB 3.15Å; R114-V118 WeakPolarHBondContact O-CG2 3.39Å; R114-V118 PolarHBondContact O-N 3.09Å; R114-V118 VanDerWaalsContact O-N 3.14Å; V115-V118 PolarHBondContact O-N 3.07Å; R116-V118 PolarHBondContact O-N 3.49Å; V118-L187 HydrophobicContact CG1-CD2 4.04Å; V118-I189 HydrophobicContact CG1-CD1 4.07Å
119	A	97.4	Very high	94.9	Very high	2 Å²	2	60.4 Å²	60.4	2%	0.017	34%	0.337	C	S	.	.	H	α-helix	trans	-87.2	-38.4	-170.3	0	0	0	0	0	113.6	V115 R116 A156 I189 R191	V115-A119 WeakPolarHBondContact O-CB 3.4Å; V115-A119 PolarHBondContact O-N 3.45Å; R116-A119 PolarHBondContact O-N 2.92Å; A119-A156 HydrophobicContact CB-CB 3.43Å; A119-A156 VanDerWaalsContact CB-CB 3.43Å; A119-I189 HydrophobicContact CB-CD1 3.95Å; A119-I189 HydrophobicContact CB-CG1 4.11Å; A119-I189 HydrophobicContact CB-CG2 4Å; A119-R191 PolarHBondContact O-NE 3.42Å; A119-R191 PolarHBondContact O-NH2 3.14Å
120	F	96.8	Very high	94.9	Very high	13 Å²	13	58.4 Å²	58.4	6%	0.057	33%	0.329	C	S	.	.	S	Bend	trans	-110	146.8	-168.5	-56.6	-90.8	0	0	0	111.8	R116 L126 T154 A156 C225 N227	R116-F120 PolarHBondContact O-N 2.93Å; F120-L126 HydrophobicContact CB-CD2 4.08Å; F120-L126 HydrophobicContact CD1-CD2 3.71Å; F120-L126 HydrophobicContact CD2-CD2 3.88Å; F120-L126 HydrophobicContact CE1-CD2 4.08Å; F120-L126 HydrophobicContact CE2-CD2 4.25Å; F120-L126 HydrophobicContact CG-CD2 3.59Å; F120-L126 HydrophobicContact CZ-CD2 4.34Å; F120-T154 HydrophobicContact CD1-CG2 3.69Å; F120-T154 HydrophobicContact CE1-CG2 3.53Å; F120-T154 WeakPolarHBondContact CE1-O 3.37Å; F120-T154 HydrophobicContact CG-CG2 4.4Å; F120-T154 HydrophobicContact CZ-CG2 4.13Å; F120-A156 HydrophobicContact CE2-CB 3.78Å; F120-A156 HydrophobicContact CZ-CB 3.85Å; F120-C225 HydrophobicContact CE2-CB 3.77Å; F120-C225 HydrophobicContact CZ-CB 3.81Å; F120-N227 HydrophobicContact CD1-CB 3.88Å; F120-N227 HydrophobicContact CE1-CB 4.02Å
121	P	91.6	Very high	94.9	Very high	85 Å²	85	52.9 Å²	52.9	55%	0.552	30%	0.303	S	S	*	.			trans	-55	144.8	170.6	-24.4	34.1	0	0	0	111.7	G123 S124	P121-G123 PolarHBondContact O-N 2.89Å; P121-S124 WeakPolarHBondContact O-CB 3.18Å; P121-S124 PolarHBondContact O-N 2.82Å
122	R	89.9	Confident	94.9	Very high	259 Å²	259	52.6 Å²	52.6	98%	0.977	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	127.1	178.2	-172.5	179.4	-177.8	-170	0.7	110.2	S124	R122-S124 VanDerWaalsContact C-N 3.28Å
123	G	86.8	Confident	94.9	Very high	79 Å²	79	52.8 Å²	52.8	81%	0.814	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	6.1	-178.5	0	0	0	0	0	114.6	P121	P121-G123 PolarHBondContact O-N 2.89Å
124	S	89.8	Confident	95	Very high	27 Å²	27	49.1 Å²	49.1	19%	0.189	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-59.1	130.3	172.6	-174.1	0	0	0	0	110	P121 R122 L126	P121-S124 WeakPolarHBondContact O-CB 3.18Å; P121-S124 PolarHBondContact O-N 2.82Å; R122-S124 VanDerWaalsContact C-N 3.28Å; S124-L126 PolarHBondContact O-N 3.24Å
125	P	93.7	Very high	95	Very high	73 Å²	73	45.1 Å²	45.1	47%	0.474	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-67.9	117.1	174.8	28.2	-33.1	0	0	0	108.7	N227 L228	P125-N227 CarbonylContact O-C 3.59Å; P125-N227 WeakPolarHBondContact O-CA 3.28Å; P125-N227 WeakPolarHBondContact O-CB 3.28Å; P125-L228 HydrophobicContact CB-CB 4.26Å; P125-L228 HydrophobicContact CB-CD1 4.07Å; P125-L228 HydrophobicContact CB-CG 4.37Å; P125-L228 HydrophobicContact CG-CB 4.21Å; P125-L228 PolarHBondContact O-N 2.95Å
126	L	94.7	Very high	95	Very high	59 Å²	59	47.5 Å²	47.5	31%	0.309	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	141.5	179.7	-60.7	178.2	0	0	0	110.5	R116 F120 S124 G128 N227	R116-L126 HydrophobicContact CB-CD1 4.12Å; R116-L126 HydrophobicContact CG-CD1 3.47Å; R116-L126 VanDerWaalsContact CG-CD1 3.47Å; F120-L126 HydrophobicContact CB-CD2 4.08Å; F120-L126 HydrophobicContact CD1-CD2 3.71Å; F120-L126 HydrophobicContact CD2-CD2 3.88Å; F120-L126 HydrophobicContact CE1-CD2 4.08Å; F120-L126 HydrophobicContact CE2-CD2 4.25Å; F120-L126 HydrophobicContact CG-CD2 3.59Å; F120-L126 HydrophobicContact CZ-CD2 4.34Å; S124-L126 PolarHBondContact O-N 3.24Å; L126-G128 PolarHBondContact O-N 2.92Å; L126-N227 HydrophobicContact CD2-CB 4.5Å
127	L	91	Very high	95	Very high	49 Å²	49	49.9 Å²	49.9	26%	0.257	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	116.8	167.3	-179.5	68.7	0	0	0	107.3	R226 L228	L127-R226 HydrophobicContact CB-CB 4.05Å; L127-R226 HydrophobicContact CD2-CB 4.06Å; L127-R226 PolarHBondContact N-O 3.12Å; L127-L228 HydrophobicContact CB-CD2 4.01Å; L127-L228 HydrophobicContact CD1-CD2 3.46Å; L127-L228 VanDerWaalsContact CD1-CD2 3.46Å; L127-L228 HydrophobicContact CG-CD2 4.34Å
128	G	87.3	Confident	94.9	Very high	46 Å²	46	48.8 Å²	48.8	47%	0.474	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	152.4	164.3	0	0	0	0	0	109.5	L126	L126-G128 PolarHBondContact O-N 2.92Å
129	P	94.9	Very high	94.9	Very high	39 Å²	39	46.9 Å²	46.9	25%	0.253	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-70.8	166.5	-3.9	-14.4	30.3	0	0	0	114.9	E100 L102	E100-P129 HydrophobicContact CB-CB 3.78Å; E100-P129 HydrophobicContact CB-CG 3.98Å; L102-P129 HydrophobicContact CD1-CG 4.39Å; L102-P129 HydrophobicContact CD2-CB 3.89Å; L102-P129 HydrophobicContact CD2-CG 3.85Å; L102-P129 HydrophobicContact CG-CB 3.84Å; L102-P129 HydrophobicContact CG-CG 3.79Å
130	V	98.1	Very high	94.9	Very high	10 Å²	10	48.6 Å²	48.6	6%	0.061	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	128.6	171.1	177.9	0	0	0	0	109.3	E100 R101 W104 V223 I224	E100-V130 WeakPolarHBondContact CA-O 3.41Å; R101-V130 PolarHBondContact N-O 3.09Å; R101-V130 PolarHBondContact O-N 3.22Å; W104-V130 HydrophobicContact CZ2-CB 4.08Å; W104-V130 HydrophobicContact CZ2-CG1 3.93Å; V130-V223 HydrophobicContact CG1-CG1 3.54Å; V130-I224 WeakPolarHBondContact CG1-O 3.31Å
131	H	98.3	Very high	95	Very high	21 Å²	21	48.7 Å²	48.7	10%	0.097	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.6	-178.7	178	-152.5	0	0	0	110.4	E98 I224 R226	E98-H131 IonicContact OE2-CD2 2.75Å; E98-H131 IonicContact OE2-CE1 3.82Å; E98-H131 IonicContact OE2-NE2 2.72Å; E98-H131 PolarHBondContact OE2-NE2 3.47Å; H131-I224 HydrophobicContact CB-CB 4.33Å; H131-I224 PolarHBondContact N-O 3.47Å; H131-I224 VanDerWaalsContact N-O 3.13Å; H131-I224 WeakPolarHBondContact O-CD1 3.18Å; H131-I224 PolarHBondContact O-N 2.99Å; H131-R226 PolarHBondContact ND1-NH1 3.41Å; H131-R226 VanDerWaalsContact ND1-NH1 3.17Å
132	V	98.7	Very high	95.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.3	174.6	-178.1	0	0	0	0	108.4	L75 L79 E98 T99 R101 W104 I221 S222 V223	L75-V132 HydrophobicContact CD1-CG1 4.02Å; L75-V132 HydrophobicContact CD2-CB 4.48Å; L75-V132 HydrophobicContact CD2-CG1 4.01Å; L75-V132 HydrophobicContact CD2-CG2 3.92Å; L79-V132 HydrophobicContact CD1-CG1 4.28Å; L79-V132 HydrophobicContact CD2-CG1 4.44Å; E98-V132 CarbonylContact C-O 3.5Å; E98-V132 WeakPolarHBondContact CA-O 3.32Å; E98-V132 VanDerWaalsContact CB-O 3.32Å; E98-V132 WeakPolarHBondContact CB-O 3.38Å; T99-V132 HydrophobicContact CG2-CB 3.95Å; T99-V132 HydrophobicContact CG2-CG2 4.43Å; T99-V132 PolarHBondContact N-O 2.71Å; T99-V132 PolarHBondContact O-N 3.18Å; R101-V132 HydrophobicContact CG-CG2 4.47Å; W104-V132 HydrophobicContact CH2-CG2 3.8Å; W104-V132 HydrophobicContact CZ2-CG2 4Å; V132-I221 HydrophobicContact CG1-CG2 3.98Å; V132-S222 WeakPolarHBondContact CA-O 3.37Å; V132-V223 HydrophobicContact CG2-CG1 4.38Å; V132-V223 HydrophobicContact CG2-CG2 4.42Å
133	L	98.5	Very high	95.6	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.2	-178.3	-178	65.7	0	0	0	109.8	I93 Y96 E98 L135 I141 I221 S222 I224	I93-L133 HydrophobicContact CD1-CD1 4.26Å; I93-L133 HydrophobicContact CD1-CD2 4.13Å; I93-L133 HydrophobicContact CG2-CD1 4.28Å; I93-L133 HydrophobicContact CG2-CD2 4.44Å; Y96-L133 HydrophobicContact CD2-CD1 3.57Å; Y96-L133 HydrophobicContact CG-CD1 4.06Å; E98-L133 HydrophobicContact CB-CD1 4.02Å; L133-L135 HydrophobicContact CD1-CD2 4.5Å; L133-L135 HydrophobicContact CD2-CD2 4.18Å; L133-L135 HydrophobicContact CD2-CG 4.38Å; L133-L135 HydrophobicContact CG-CD2 4.23Å; L133-L135 HydrophobicContact CG-CG 4.36Å; L133-I141 HydrophobicContact CD2-CD1 3.65Å; L133-I141 HydrophobicContact CD2-CG1 4.37Å; L133-I221 CarbonylContact O-C 3.5Å; L133-I221 VanDerWaalsContact O-CA 3.32Å; L133-I221 WeakPolarHBondContact O-CA 3.36Å; L133-S222 PolarHBondContact N-O 3.29Å; L133-S222 PolarHBondContact O-N 3.04Å; L133-I224 HydrophobicContact CB-CD1 4.04Å
134	D	98.8	Very high	96.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	110.9	175.7	179.6	-6.2	0	0	0	108.5	L79 Y84 Y96 R97 R219 I221	L79-D134 HydrophobicContact CD1-CB 4.13Å; L79-D134 HydrophobicContact CD2-CB 4.06Å; Y84-D134 WeakPolarHBondContact CE1-O 3.49Å; Y84-D134 PolarHBondContact OH-OD1 2.66Å; Y84-D134 PolarHBondContact OH-OD2 2.93Å; Y96-D134 CarbonylContact C-O 3.53Å; Y96-D134 VanDerWaalsContact CA-O 3.26Å; Y96-D134 WeakPolarHBondContact CA-O 3.42Å; R97-D134 HydrophobicContact CG-CB 3.75Å; R97-D134 IonicContact CZ-OD2 3.79Å; R97-D134 VanDerWaalsContact CZ-OD2 3.22Å; R97-D134 PolarHBondContact N-O 2.83Å; R97-D134 IonicContact NE-OD2 3.64Å; R97-D134 PolarHBondContact NE-OD2 3.23Å; R97-D134 IonicContact NH2-OD2 3.81Å; R97-D134 PolarHBondContact NH2-OD2 2.91Å; R97-D134 PolarHBondContact O-N 3.13Å; D134-R219 IonicContact OD1-CZ 2.75Å; D134-R219 IonicContact OD1-NE 3.81Å; D134-R219 PolarHBondContact OD1-NE 3.26Å; D134-R219 IonicContact OD1-NH2 3.58Å; D134-R219 IonicContact OD2-CZ 3.9Å; D134-R219 IonicContact OD2-NE 3.9Å; D134-R219 PolarHBondContact OD2-NE 2.85Å; D134-R219 IonicContact OD2-NH2 2.97Å; D134-R219 PolarHBondContact OD2-NH2 2.99Å; D134-I221 HydrophobicContact CB-CG1 3.94Å
135	L	98.5	Very high	96.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.7	175.7	-63.6	177.7	0	0	0	109.5	I93 L133 I141 V202 R219 R220	I93-L135 HydrophobicContact CG2-CD2 3.87Å; L133-L135 HydrophobicContact CD1-CD2 4.5Å; L133-L135 HydrophobicContact CD2-CD2 4.18Å; L133-L135 HydrophobicContact CD2-CG 4.38Å; L133-L135 HydrophobicContact CG-CD2 4.23Å; L133-L135 HydrophobicContact CG-CG 4.36Å; L135-I141 HydrophobicContact CD1-CD1 4.3Å; L135-I141 HydrophobicContact CD1-CG1 4.17Å; L135-I141 HydrophobicContact CD2-CG1 4.42Å; L135-V202 HydrophobicContact CD1-CG1 4.19Å; L135-R219 CarbonylContact O-C 3.42Å; L135-R219 VanDerWaalsContact O-CA 3.28Å; L135-R219 WeakPolarHBondContact O-CA 3.3Å; L135-R219 WeakPolarHBondContact O-CG 3.2Å; L135-R220 PolarHBondContact N-O 2.86Å; L135-R220 PolarHBondContact O-N 2.88Å
136	D	97.9	Very high	96.5	Very high	50 Å²	50	34.6 Å²	34.6	27%	0.267	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	166.4	165.3	-179.3	61.3	0	0	0	110.8	Y84 G95 A138 G139	Y84-D136 HydrophobicContact CD1-CB 3.97Å; Y84-D136 HydrophobicContact CE1-CB 3.78Å; Y84-D136 HydrophobicContact CE2-CB 4.36Å; Y84-D136 HydrophobicContact CG-CB 4.37Å; G95-D136 WeakPolarHBondContact O-CB 3.42Å; G95-D136 PolarHBondContact O-N 3.49Å; D136-A138 PolarHBondContact O-N 2.75Å; D136-A138 PolarHBondContact OD2-N 2.98Å; D136-G139 WeakPolarHBondContact O-CA 3.17Å; D136-G139 PolarHBondContact O-N 2.83Å
137	K	97.4	Very high	96.4	Very high	101 Å²	101	34.4 Å²	34.4	44%	0.439	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	-41.9	172.1	178.4	175.6	-177.4	-170.2	0	112.8	G139 R217	K137-G139 VanDerWaalsContact C-N 3.33Å; K137-R217 WeakPolarHBondContact CG-O 3.27Å
138	A	96.4	Very high	96.6	Very high	67 Å²	67	36.1 Å²	36.1	55%	0.554	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	-5.2	177	0	0	0	0	0	113.1	D136	D136-A138 PolarHBondContact O-N 2.75Å; D136-A138 PolarHBondContact OD2-N 2.98Å
139	G	96.8	Very high	96.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	148.1	-177.4	0	0	0	0	0	112.6	H94 D136 K137 R217	H94-G139 CarbonylContact O-C 3.58Å; H94-G139 WeakPolarHBondContact O-CA 3.07Å; D136-G139 WeakPolarHBondContact O-CA 3.17Å; D136-G139 PolarHBondContact O-N 2.83Å; K137-G139 VanDerWaalsContact C-N 3.33Å; G139-R217 PolarHBondContact O-NH1 3.08Å; G139-R217 PolarHBondContact O-NH2 2.82Å
140	Y	97.8	Very high	96.7	Very high	37 Å²	37	46.6 Å²	46.6	15%	0.145	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	168	-177	66.6	-82.5	0	0	0	110.4	H94 K142 V202 K204	H94-Y140 HydrophobicContact CB-CD1 3.62Å; H94-Y140 HydrophobicContact CB-CD2 4.49Å; H94-Y140 HydrophobicContact CB-CE1 3.21Å; H94-Y140 HydrophobicContact CB-CE2 4.18Å; H94-Y140 HydrophobicContact CB-CG 4.23Å; H94-Y140 AromaticContact CD2-CE2 3.92Å; H94-Y140 AromaticContact CD2-CZ 3.68Å; H94-Y140 AromaticContact CG-CE1 3.53Å; H94-Y140 AromaticContact CG-CE2 3.96Å; H94-Y140 AromaticContact CG-CZ 3.29Å; H94-Y140 VanDerWaalsContact CG-OH 3.28Å; H94-Y140 PolarHBondContact N-O 3.18Å; H94-Y140 AromaticContact ND1-CE1 3.98Å; H94-Y140 AromaticContact ND1-CZ 3.71Å; H94-Y140 PolarHBondContact ND1-OH 3.4Å; H94-Y140 PolarHBondContact O-N 2.91Å; Y140-K142 HydrophobicContact CD2-CG 4.28Å; Y140-K142 HydrophobicContact CE2-CD 4.48Å; Y140-K142 HydrophobicContact CE2-CG 3.69Å; Y140-V202 WeakPolarHBondContact CB-O 3.5Å; Y140-K204 HydrophobicContact CD1-CD 4.2Å; Y140-K204 HydrophobicContact CD1-CG 3.76Å; Y140-K204 HydrophobicContact CD2-CD 4.28Å; Y140-K204 HydrophobicContact CD2-CG 3.85Å; Y140-K204 HydrophobicContact CE1-CD 4.33Å; Y140-K204 HydrophobicContact CE1-CG 4.38Å; Y140-K204 HydrophobicContact CE2-CD 4.38Å; Y140-K204 HydrophobicContact CE2-CG 4.43Å; Y140-K204 HydrophobicContact CG-CD 4.2Å; Y140-K204 HydrophobicContact CG-CG 3.48Å; Y140-K204 VanDerWaalsContact CG-CG 3.48Å; Y140-K204 PolarHBondContact OH-NZ 3.22Å
141	I	97.9	Very high	96.5	Very high	15 Å²	15	46.3 Å²	46.3	8%	0.077	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.3	176.9	-54	176	0	0	0	106.9	I93 L133 L135 H144 E201 V202	I93-I141 HydrophobicContact CG1-CG1 4.39Å; I93-I141 HydrophobicContact CG1-CG2 4.19Å; I93-I141 HydrophobicContact CG2-CG1 4.16Å; L133-I141 HydrophobicContact CD2-CD1 3.65Å; L133-I141 HydrophobicContact CD2-CG1 4.37Å; L135-I141 HydrophobicContact CD1-CD1 4.3Å; L135-I141 HydrophobicContact CD1-CG1 4.17Å; L135-I141 HydrophobicContact CD2-CG1 4.42Å; I141-H144 WeakPolarHBondContact CG2-CE1 3.35Å; I141-E201 WeakPolarHBondContact O-CA 3.34Å; I141-E201 VanDerWaalsContact O-CB 3.26Å; I141-E201 WeakPolarHBondContact O-CB 3.29Å; I141-V202 HydrophobicContact CB-CB 4.05Å; I141-V202 HydrophobicContact CB-CG2 4.36Å; I141-V202 HydrophobicContact CD1-CB 4.11Å; I141-V202 HydrophobicContact CD1-CG2 3.7Å; I141-V202 HydrophobicContact CG1-CB 4.04Å; I141-V202 HydrophobicContact CG1-CG2 4.2Å; I141-V202 PolarHBondContact N-O 3.01Å; I141-V202 PolarHBondContact O-N 2.69Å
142	K	97.4	Very high	96.4	Very high	61 Å²	61	45.3 Å²	45.3	27%	0.265	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	161.2	176.1	-69.2	-173.2	-173.2	160.1	0	111.4	D91 A92 H94 Y140 H144	D91-K142 VanDerWaalsContact O-CD 3.32Å; D91-K142 WeakPolarHBondContact O-CD 3.46Å; D91-K142 PolarHBondContact O-NZ 3.34Å; D91-K142 IonicContact OD1-NZ 2.85Å; D91-K142 PolarHBondContact OD1-NZ 2.83Å; D91-K142 IonicContact OD2-NZ 2.82Å; D91-K142 PolarHBondContact OD2-NZ 3.33Å; A92-K142 PolarHBondContact O-N 3.29Å; H94-K142 WeakPolarHBondContact NE2-CE 3.37Å; H94-K142 PolarHBondContact NE2-NZ 3.43Å; Y140-K142 HydrophobicContact CD2-CG 4.28Å; Y140-K142 HydrophobicContact CE2-CD 4.48Å; Y140-K142 HydrophobicContact CE2-CG 3.69Å; K142-H144 PolarHBondContact O-N 3.07Å; K142-H144 PolarHBondContact O-ND1 2.8Å
143	P	97.8	Very high	96.3	Very high	70 Å²	70	47 Å²	47	46%	0.455	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	121.1	173.6	-24	32.2	0	0	0	111.7	T199 E201	P143-T199 HydrophobicContact CB-CG2 4.27Å; P143-E201 WeakPolarHBondContact CD-OE2 3.27Å; P143-E201 HydrophobicContact CG-CB 4.13Å; P143-E201 HydrophobicContact CG-CG 4.36Å
144	H	97	Very high	96.3	Very high	44 Å²	44	47 Å²	47	20%	0.204	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	162.2	175.7	67.8	-62.8	0	0	0	111.7	I141 K142 D146 T199 H200	I141-H144 WeakPolarHBondContact CG2-CE1 3.35Å; K142-H144 PolarHBondContact O-N 3.07Å; K142-H144 PolarHBondContact O-ND1 2.8Å; H144-D146 IonicContact CD2-OD1 3.22Å; H144-D146 IonicContact NE2-OD1 2.99Å; H144-T199 CarbonylContact O-C 3.58Å; H144-T199 VanDerWaalsContact O-CA 3.32Å; H144-T199 WeakPolarHBondContact O-CA 3.38Å; H144-H200 AromaticContact CD2-CE1 3.78Å; H144-H200 AromaticContact CE1-CD2 3.8Å; H144-H200 AromaticContact CE1-CE1 3.46Å; H144-H200 PolarHBondContact CE1-CE1 2.75Å; H144-H200 VanDerWaalsContact CE1-CE1 3.46Å; H144-H200 AromaticContact CE1-NE2 3.33Å; H144-H200 PolarHBondContact CE1-NE2 2.79Å; H144-H200 VanDerWaalsContact CE1-NE2 3.33Å; H144-H200 PolarHBondContact N-O 2.68Å; H144-H200 VanDerWaalsContact N-O 3.09Å; H144-H200 PolarHBondContact ND1-O 3.49Å; H144-H200 AromaticContact NE2-CE1 3.26Å; H144-H200 PolarHBondContact NE2-CE1 2.85Å; H144-H200 VanDerWaalsContact NE2-CE1 3.26Å; H144-H200 AromaticContact NE2-NE2 3.32Å; H144-H200 PolarHBondContact NE2-NE2 3.17Å; H144-H200 PolarHBondContact O-N 2.98Å; H144-H200 PolarHBondContact O-ND1 3.13Å
145	V	96.6	Very high	96.3	Very high	37 Å²	37	47 Å²	47	22%	0.224	25%	0.25	C	S	.	.			trans	-110.9	127.7	168.6	178.1	0	0	0	0	107.7	S147 E171 T199	V145-S147 PolarHBondContact O-N 3.35Å; V145-E171 HydrophobicContact CG2-CG 4.33Å; V145-T199 HydrophobicContact CG2-CG2 4.24Å
146	D	94.8	Very high	96.3	Very high	15 Å²	15	47 Å²	47	8%	0.08	25%	0.25	C	S	.	.			trans	-56.1	138.8	175	-89.9	8.8	0	0	0	110.2	H144 V148 C151 I155 R195 H200 R226	H144-D146 IonicContact CD2-OD1 3.22Å; H144-D146 IonicContact NE2-OD1 2.99Å; D146-V148 PolarHBondContact O-N 2.98Å; D146-V148 VanDerWaalsContact O-N 3.08Å; D146-C151 HydrophobicContact CB-CB 4.09Å; D146-I155 HydrophobicContact CB-CD1 3.94Å; D146-I155 VanDerWaalsContact OD2-CD1 3.28Å; D146-I155 WeakPolarHBondContact OD2-CD1 3.26Å; D146-R195 VanDerWaalsContact O-CZ 3.28Å; D146-R195 PolarHBondContact O-NH1 3.44Å; D146-R195 PolarHBondContact O-NH2 2.92Å; D146-H200 IonicContact OD1-CE1 3.81Å; D146-H200 PolarHBondContact OD1-CE1 2.75Å; D146-H200 IonicContact OD1-NE2 2.83Å; D146-R226 IonicContact OD1-NH2 3.35Å; D146-R226 IonicContact OD2-CZ 3.35Å; D146-R226 VanDerWaalsContact OD2-CZ 3.25Å; D146-R226 IonicContact OD2-NE 3.34Å; D146-R226 PolarHBondContact OD2-NE 3.11Å; D146-R226 IonicContact OD2-NH2 2.74Å; D146-R226 PolarHBondContact OD2-NH2 3.33Å
147	S	93.3	Very high	96.4	Very high	55 Å²	55	44.6 Å²	44.6	39%	0.385	24%	0.237	S	C	.	.			trans	-54.6	118.3	-175.9	177.8	0	0	0	0	112.4	V145 K149 F150 C151 R195	V145-S147 PolarHBondContact O-N 3.35Å; S147-K149 PolarHBondContact O-N 3.47Å; S147-K149 VanDerWaalsContact O-N 3.14Å; S147-K149 PolarHBondContact OG-N 2.97Å; S147-F150 PolarHBondContact O-N 3.14Å; S147-F150 VanDerWaalsContact O-N 3.09Å; S147-F150 WeakPolarHBondContact OG-CD2 3.47Å; S147-C151 PolarHBondContact O-N 3.24Å; S147-R195 PolarHBondContact O-NH2 2.96Å
148	V	94.1	Very high	96.4	Very high	86 Å²	86	39.9 Å²	39.9	52%	0.521	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.9	177	-57.7	0	0	0	0	113.2	D146 F150 Y196	D146-V148 PolarHBondContact O-N 2.98Å; D146-V148 VanDerWaalsContact O-N 3.08Å; V148-F150 VanDerWaalsContact C-N 3.34Å; V148-Y196 HydrophobicContact CB-CE1 4.46Å; V148-Y196 HydrophobicContact CG1-CD1 3.78Å; V148-Y196 HydrophobicContact CG1-CE1 3.9Å
149	K	93.4	Very high	96.5	Very high	167 Å²	167	36.7 Å²	36.7	73%	0.726	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-24	175.5	-64.8	179.1	177.6	175.5	0	113	S147	S147-K149 PolarHBondContact O-N 3.47Å; S147-K149 VanDerWaalsContact O-N 3.14Å; S147-K149 PolarHBondContact OG-N 2.97Å
150	F	91.3	Very high	96.6	Very high	137 Å²	137	36.7 Å²	36.7	60%	0.601	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.7	-26.9	-171.7	-56	-61.1	0	0	0	113.4	S147 V148	S147-F150 PolarHBondContact O-N 3.14Å; S147-F150 VanDerWaalsContact O-N 3.09Å; S147-F150 WeakPolarHBondContact OG-CD2 3.47Å; V148-F150 VanDerWaalsContact C-N 3.34Å
151	C	94.8	Very high	96.7	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.027	20%	0.196	C	C	.	.			trans	-113.2	123	-179.5	178.1	0	0	0	0	109.6	D146 S147 R195	D146-C151 HydrophobicContact CB-CB 4.09Å; S147-C151 PolarHBondContact O-N 3.24Å; C151-R195 PolarHBondContact O-NH2 3.41Å
152	G	96.1	Very high	96.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.			trans	-75.2	-156.1	178.2	0	0	0	0	0	113	T154 R195 Y196 N227	G152-T154 PolarHBondContact O-N 3.04Å; G152-R195 VanDerWaalsContact O-CD 3.31Å; G152-R195 WeakPolarHBondContact O-CD 3.32Å; G152-R195 PolarHBondContact O-NE 3.28Å; G152-Y196 VanDerWaalsContact C-OH 3.24Å; G152-N227 WeakPolarHBondContact CA-OD1 3.21Å; G152-N227 PolarHBondContact N-O 2.95Å
153	S	96.7	Very high	96.8	Very high	36 Å²	36	37.2 Å²	37.2	25%	0.252	20%	0.2	S	C	.	.	S	Bend	trans	-75.3	0.1	-169.8	62.6	0	0	0	0	115.7	R191 D192 Y196 N227	S153-R191 CarbonylContact O-C 3.59Å; S153-R191 VanDerWaalsContact O-CA 3.24Å; S153-R191 WeakPolarHBondContact O-CA 3.43Å; S153-D192 PolarHBondContact O-N 2.94Å; S153-Y196 VanDerWaalsContact CA-OH 3.23Å; S153-Y196 WeakPolarHBondContact CA-OH 3.31Å; S153-Y196 PolarHBondContact N-OH 3.37Å; S153-Y196 VanDerWaalsContact N-OH 3.13Å; S153-N227 PolarHBondContact N-ND2 3.23Å; S153-N227 PolarHBondContact N-OD1 2.56Å; S153-N227 VanDerWaalsContact N-OD1 3.09Å; S153-N227 PolarHBondContact OG-ND2 2.65Å
154	T	98.1	Very high	96.8	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.025	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	132.1	-174.8	-58.2	0	0	0	0	112.5	F120 G152 I189 L190 R191 N227	F120-T154 HydrophobicContact CD1-CG2 3.69Å; F120-T154 HydrophobicContact CE1-CG2 3.53Å; F120-T154 WeakPolarHBondContact CE1-O 3.37Å; F120-T154 HydrophobicContact CG-CG2 4.4Å; F120-T154 HydrophobicContact CZ-CG2 4.13Å; G152-T154 PolarHBondContact O-N 3.04Å; T154-I189 HydrophobicContact CG2-CG2 3.94Å; T154-L190 WeakPolarHBondContact CA-O 3Å; T154-R191 HydrophobicContact CG2-CG 4.07Å; T154-N227 PolarHBondContact N-OD1 2.75Å; T154-N227 PolarHBondContact O-N 3.45Å; T154-N227 PolarHBondContact O-OD1 3Å
155	I	98.5	Very high	96.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.7	170.2	-57.2	164.7	0	0	0	107.7	D146 Y188 I189 L190 R195 I224 R226	D146-I155 HydrophobicContact CB-CD1 3.94Å; D146-I155 VanDerWaalsContact OD2-CD1 3.28Å; D146-I155 WeakPolarHBondContact OD2-CD1 3.26Å; I155-Y188 HydrophobicContact CG2-CE2 4.24Å; I155-I189 WeakPolarHBondContact O-CA 3.26Å; I155-L190 HydrophobicContact CB-CB 4.49Å; I155-L190 PolarHBondContact N-O 2.94Å; I155-L190 PolarHBondContact O-N 3.45Å; I155-R195 HydrophobicContact CD1-CG 3.83Å; I155-R195 HydrophobicContact CG1-CG 4.12Å; I155-I224 HydrophobicContact CG2-CG2 3.78Å; I155-R226 HydrophobicContact CG1-CG 4.4Å
156	A	98.8	Very high	97	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	123.8	176.4	0	0	0	0	0	110.1	V115 A119 F120 L187 Y188 I189 I224 C225	V115-A156 HydrophobicContact CG1-CB 4.15Å; A119-A156 HydrophobicContact CB-CB 3.43Å; A119-A156 VanDerWaalsContact CB-CB 3.43Å; F120-A156 HydrophobicContact CE2-CB 3.78Å; F120-A156 HydrophobicContact CZ-CB 3.85Å; A156-L187 HydrophobicContact CB-CD1 4.25Å; A156-Y188 VanDerWaalsContact CA-O 3.31Å; A156-Y188 WeakPolarHBondContact CA-O 3.42Å; A156-I189 HydrophobicContact CB-CG1 4.49Å; A156-I189 HydrophobicContact CB-CG2 4.47Å; A156-I224 WeakPolarHBondContact O-CA 3.46Å; A156-C225 PolarHBondContact N-O 3.13Å; A156-C225 PolarHBondContact O-N 2.98Å
157	G	98.8	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129	-177.7	0	0	0	0	0	113.2	L187 Y188 V223	G157-L187 WeakPolarHBondContact O-CA 3.21Å; G157-Y188 VanDerWaalsContact CA-CE1 3.41Å; G157-Y188 PolarHBondContact N-O 3.27Å; G157-Y188 WeakPolarHBondContact O-CD1 3.49Å; G157-Y188 WeakPolarHBondContact O-CE1 3.44Å; G157-Y188 PolarHBondContact O-N 2.93Å; G157-V223 WeakPolarHBondContact CA-O 3.49Å
158	L	98.9	Very high	97.5	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	137.3	166.3	-70.1	173.9	0	0	0	109.7	F62 I63 L71 I111 V115 L160 S186 L187 S222 V223	F62-L158 HydrophobicContact CD1-CD2 3.65Å; F62-L158 HydrophobicContact CE1-CD2 4.21Å; I63-L158 HydrophobicContact CG2-CD1 4.46Å; I63-L158 HydrophobicContact CG2-CD2 4.06Å; L71-L158 HydrophobicContact CD1-CD1 4.23Å; I111-L158 HydrophobicContact CG2-CD1 4Å; V115-L158 HydrophobicContact CG2-CD1 3.73Å; V115-L158 HydrophobicContact CG2-CD2 3.89Å; V115-L158 HydrophobicContact CG2-CG 3.81Å; L158-L160 HydrophobicContact CB-CD2 4.4Å; L158-S186 WeakPolarHBondContact CA-O 3.28Å; L158-L187 HydrophobicContact CD2-CB 4.04Å; L158-L187 HydrophobicContact CD2-CD1 4.07Å; L158-L187 HydrophobicContact CG-CD1 4.41Å; L158-S222 WeakPolarHBondContact O-CA 3.35Å; L158-S222 WeakPolarHBondContact O-CB 3.28Å; L158-V223 HydrophobicContact CB-CB 4.33Å; L158-V223 PolarHBondContact N-O 2.92Å; L158-V223 PolarHBondContact O-N 3.2Å; L158-V223 VanDerWaalsContact O-N 3.13Å
159	S	98.9	Very high	97.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.3	173.4	-62.6	0	0	0	0	110.1	R185 S186 R220	S159-R185 VanDerWaalsContact O-CA 3.28Å; S159-R185 WeakPolarHBondContact O-CA 3.26Å; S159-R185 PolarHBondContact O-N 3.33Å; S159-S186 PolarHBondContact N-O 3.32Å; S159-R220 PolarHBondContact OG-NH2 2.93Å
160	L	98.9	Very high	97.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	162.1	-178.9	-42.7	180	0	0	0	110.8	I63 E68 L71 L72 L75 L158 S162 I221 V223	I63-L160 HydrophobicContact CD1-CD2 3.44Å; I63-L160 VanDerWaalsContact CD1-CD2 3.44Å; E68-L160 HydrophobicContact CG-CB 4.4Å; E68-L160 HydrophobicContact CG-CD2 4.21Å; E68-L160 WeakPolarHBondContact OE1-CA 3.38Å; L71-L160 HydrophobicContact CB-CD1 4.21Å; L71-L160 HydrophobicContact CD1-CD1 4.27Å; L71-L160 HydrophobicContact CD1-CD2 4.05Å; L72-L160 HydrophobicContact CD2-CD1 4.41Å; L75-L160 HydrophobicContact CD1-CD1 4.43Å; L158-L160 HydrophobicContact CB-CD2 4.4Å; L160-S162 PolarHBondContact O-N 3.19Å; L160-I221 HydrophobicContact CB-CB 4.21Å; L160-I221 WeakPolarHBondContact CB-O 3.32Å; L160-I221 HydrophobicContact CD1-CB 4.32Å; L160-I221 HydrophobicContact CD1-CG2 4.01Å; L160-I221 PolarHBondContact N-O 3.01Å; L160-I221 PolarHBondContact O-N 2.77Å; L160-V223 HydrophobicContact CD1-CG2 4.2Å
161	L	98.8	Very high	98.1	Very high	50 Å²	50	20.6 Å²	20.6	26%	0.262	10%	0.104	S	C	.	.	S	Bend	trans	67.8	-51.6	177	-56.9	178.3	0	0	0	116.3	E68 L72 R184 R219 I221	E68-L161 PolarHBondContact OE1-N 2.84Å; L72-L161 HydrophobicContact CD1-CD2 3.55Å; L72-L161 HydrophobicContact CD2-CD1 4.46Å; L72-L161 HydrophobicContact CD2-CD2 3.81Å; L72-L161 HydrophobicContact CD2-CG 4.13Å; L72-L161 HydrophobicContact CG-CD2 4.34Å; L161-R184 WeakPolarHBondContact O-CD 3.5Å; L161-R219 WeakPolarHBondContact CB-O 3.16Å; L161-R219 HydrophobicContact CD1-CG 4.14Å; L161-I221 HydrophobicContact CD1-CB 4.47Å; L161-I221 HydrophobicContact CD1-CD1 3.69Å; L161-I221 HydrophobicContact CD1-CG1 3.82Å; L161-I221 HydrophobicContact CG-CD1 4.43Å
162	S	98.6	Very high	98.1	Very high	11 Å²	11	27.6 Å²	27.6	8%	0.077	14%	0.141	C	C	.	.	S	Bend	trans	-147.8	157.5	-174.5	74.7	0	0	0	0	113.3	L160 Q218 R219	L160-S162 PolarHBondContact O-N 3.19Å; S162-Q218 PolarHBondContact OG-O 2.76Å; S162-R219 PolarHBondContact OG-O 3.18Å
163	D	98.6	Very high	98.1	Very high	64 Å²	64	31.3 Å²	31.3	34%	0.342	16%	0.158	S	C	.	.			trans	-69.4	153.6	174.2	-56.6	-13.1	0	0	0	111.1	L182 T183 R184 V215	D163-L182 WeakPolarHBondContact CA-O 3.21Å; D163-T183 VanDerWaalsContact OD1-CA 3.27Å; D163-T183 WeakPolarHBondContact OD1-CA 3.31Å; D163-R184 PolarHBondContact OD1-N 3.41Å; D163-V215 HydrophobicContact CB-CG1 3.79Å
164	S	98.8	Very high	98	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	169.8	170.6	61.6	0	0	0	0	110.6	L182 R220	S164-L182 PolarHBondContact N-O 3.09Å; S164-L182 WeakPolarHBondContact O-CA 3.15Å; S164-L182 WeakPolarHBondContact O-CB 3.23Å; S164-L182 PolarHBondContact O-N 2.82Å; S164-R220 VanDerWaalsContact OG-CD 3.28Å; S164-R220 WeakPolarHBondContact OG-CD 3.32Å; S164-R220 PolarHBondContact OG-NE 3.12Å
165	I	98.8	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.3	172.3	-58	169.2	0	0	0	108.1	D179 L180 V202 L203 F210 V215	I165-D179 HydrophobicContact CG2-CB 3.95Å; I165-L180 WeakPolarHBondContact CA-O 3.39Å; I165-V202 WeakPolarHBondContact O-CA 3.48Å; I165-L203 HydrophobicContact CB-CD1 3.94Å; I165-L203 HydrophobicContact CB-CG 4.29Å; I165-L203 HydrophobicContact CD1-CD1 4.34Å; I165-L203 HydrophobicContact CG2-CD1 3.71Å; I165-L203 HydrophobicContact CG2-CG 4.28Å; I165-L203 PolarHBondContact O-N 3.24Å; I165-L203 VanDerWaalsContact O-N 3.13Å; I165-F210 HydrophobicContact CD1-CB 3.58Å; I165-F210 HydrophobicContact CG1-CB 4.04Å; I165-F210 HydrophobicContact CG1-CD2 4.49Å; I165-F210 HydrophobicContact CG2-CD2 4.5Å; I165-V215 HydrophobicContact CD1-CB 4.16Å; I165-V215 HydrophobicContact CD1-CG2 4.02Å; I165-V215 HydrophobicContact CG1-CB 4.27Å; I165-V215 HydrophobicContact CG1-CG2 4.2Å
166	M	98.8	Very high	97.9	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.1	164.2	172.3	177.5	-72.5	0	0	108.8	L168 L180 L182 Y188 L190 H200 E201	M166-L168 HydrophobicContact CG-CD2 4.12Å; M166-L168 HydrophobicContact SD-CD2 4.2Å; M166-L180 HydrophobicContact CB-CB 4.31Å; M166-L180 PolarHBondContact N-O 3.41Å; M166-L180 PolarHBondContact O-N 2.87Å; M166-L180 HydrophobicContact SD-CD2 4.46Å; M166-L182 HydrophobicContact CB-CD1 3.61Å; M166-L182 HydrophobicContact CB-CG 3.99Å; M166-L182 HydrophobicContact CE-CD1 4.1Å; M166-Y188 HydrophobicContact CE-CD2 4.21Å; M166-Y188 HydrophobicContact CE-CE1 4.11Å; M166-Y188 HydrophobicContact CE-CE2 3.73Å; M166-Y188 HydrophobicContact SD-CD2 4.22Å; M166-Y188 HydrophobicContact SD-CE2 4.23Å; M166-L190 HydrophobicContact SD-CD1 3.96Å; M166-H200 HydrophobicContact CG-CB 4.41Å; M166-H200 HydrophobicContact SD-CB 4.34Å; M166-E201 CarbonylContact C-O 3.56Å; M166-E201 WeakPolarHBondContact CA-O 3.44Å
167	R	98.8	Very high	97.9	Very high	66 Å²	66	44.3 Å²	44.3	25%	0.249	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.7	174.2	170.8	168.6	-67.3	155.8	5.5	109.5	V169 L178 D179 H200 E201 L203	R167-V169 HydrophobicContact CG-CG2 3.77Å; R167-L178 CarbonylContact C-O 3.45Å; R167-L178 WeakPolarHBondContact CA-O 3.41Å; R167-D179 VanDerWaalsContact CB-OD1 3.26Å; R167-D179 WeakPolarHBondContact CB-OD1 3.48Å; R167-D179 WeakPolarHBondContact CG-OD1 3.42Å; R167-D179 IonicContact CZ-OD1 3.35Å; R167-D179 IonicContact CZ-OD2 2.75Å; R167-D179 IonicContact NE-OD1 3.63Å; R167-D179 PolarHBondContact NE-OD1 2.79Å; R167-D179 IonicContact NE-OD2 3.82Å; R167-D179 IonicContact NH2-OD1 2.88Å; R167-D179 PolarHBondContact NH2-OD1 2.86Å; R167-D179 IonicContact NH2-OD2 3.55Å; R167-D179 PolarHBondContact NH2-OD2 2.76Å; R167-H200 CarbonylContact O-C 3.39Å; R167-H200 VanDerWaalsContact O-CA 3.28Å; R167-H200 WeakPolarHBondContact O-CA 3.33Å; R167-E201 HydrophobicContact CB-CG 3.65Å; R167-E201 WeakPolarHBondContact CD-OE1 3.5Å; R167-E201 HydrophobicContact CG-CG 4.27Å; R167-E201 PolarHBondContact N-O 2.9Å; R167-E201 PolarHBondContact O-N 2.82Å; R167-L203 HydrophobicContact CB-CD2 3.98Å; R167-L203 HydrophobicContact CB-CG 4.35Å
168	L	98.7	Very high	97.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.9	171.9	-53.8	-177.4	0	0	0	108.8	V56 M166 W177 L178 L180 L190 F198 T199 H200	V56-L168 HydrophobicContact CG1-CD1 4.18Å; V56-L168 HydrophobicContact CG2-CD1 3.76Å; M166-L168 HydrophobicContact CG-CD2 4.12Å; M166-L168 HydrophobicContact SD-CD2 4.2Å; L168-W177 CarbonylContact O-C 3.57Å; L168-W177 WeakPolarHBondContact O-CA 3.5Å; L168-W177 VanDerWaalsContact O-CB 3.27Å; L168-W177 WeakPolarHBondContact O-CB 3.32Å; L168-L178 HydrophobicContact CB-CB 4.24Å; L168-L178 HydrophobicContact CB-CD1 4.15Å; L168-L178 HydrophobicContact CD1-CB 4.48Å; L168-L178 HydrophobicContact CD1-CD1 4.22Å; L168-L178 PolarHBondContact N-O 3.26Å; L168-L178 PolarHBondContact O-N 3.46Å; L168-L180 HydrophobicContact CD1-CD1 3.79Å; L168-L180 HydrophobicContact CG-CD1 3.78Å; L168-L190 HydrophobicContact CD1-CD2 3.86Å; L168-L190 HydrophobicContact CD2-CD1 4.03Å; L168-L190 HydrophobicContact CD2-CD2 4.32Å; L168-F198 HydrophobicContact CB-CB 4.14Å; L168-F198 HydrophobicContact CB-CD1 3.99Å; L168-F198 HydrophobicContact CB-CG 4.42Å; L168-T199 CarbonylContact C-O 3.59Å; L168-T199 WeakPolarHBondContact CA-O 3.49Å; L168-H200 HydrophobicContact CD2-CB 3.41Å; L168-H200 VanDerWaalsContact CD2-CB 3.41Å
169	V	98.4	Very high	97.9	Very high	29 Å²	29	44.5 Å²	44.5	18%	0.176	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.3	175.6	-175	0	0	0	0	109.5	R167 E171 P174 W177 F198 T199	R167-V169 HydrophobicContact CG-CG2 3.77Å; V169-E171 PolarHBondContact O-N 2.8Å; V169-P174 HydrophobicContact CG1-CB 4.19Å; V169-W177 HydrophobicContact CG2-CB 4.13Å; V169-F198 CarbonylContact O-C 3.49Å; V169-F198 WeakPolarHBondContact O-CA 3.36Å; V169-T199 PolarHBondContact N-O 3.2Å; V169-T199 PolarHBondContact O-N 2.79Å; V169-T199 PolarHBondContact O-OG1 3.33Å
170	K	97.8	Very high	97.8	Very high	54 Å²	54	44.5 Å²	44.5	24%	0.235	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	126	-180	-169	170.7	169.2	-160.9	0	110.5	N172 E173 E176 D197 F198	K170-N172 VanDerWaalsContact C-N 3.29Å; K170-N172 PolarHBondContact O-N 3.46Å; K170-E173 HydrophobicContact CD-CB 4.05Å; K170-E173 HydrophobicContact CG-CB 4.36Å; K170-E173 IonicContact NZ-OE2 3.63Å; K170-E173 PolarHBondContact NZ-OE2 2.8Å; K170-E173 CarbonylContact O-C 3.56Å; K170-E173 PolarHBondContact O-N 2.89Å; K170-E176 HydrophobicContact CB-CB 4.02Å; K170-E176 HydrophobicContact CD-CB 4.06Å; K170-E176 WeakPolarHBondContact CD-OE2 3.45Å; K170-E176 WeakPolarHBondContact CE-OE2 3.49Å; K170-E176 PolarHBondContact N-O 2.69Å; K170-E176 IonicContact NZ-OE1 2.68Å; K170-E176 IonicContact NZ-OE2 3.61Å; K170-E176 PolarHBondContact NZ-OE2 3.32Å; K170-D197 WeakPolarHBondContact CA-O 3.48Å; K170-F198 HydrophobicContact CB-CD1 3.93Å; K170-F198 HydrophobicContact CB-CE1 3.62Å; K170-F198 HydrophobicContact CB-CE2 4.35Å; K170-F198 HydrophobicContact CB-CG 4.42Å; K170-F198 HydrophobicContact CB-CZ 3.83Å; K170-F198 HydrophobicContact CD-CE2 4.34Å; K170-F198 HydrophobicContact CD-CZ 3.94Å; K170-F198 HydrophobicContact CG-CE1 4.36Å; K170-F198 HydrophobicContact CG-CE2 4.24Å; K170-F198 HydrophobicContact CG-CZ 4.06Å; K170-F198 VanDerWaalsContact N-CD1 3.34Å
171	E	95.1	Very high	97.8	Very high	109 Å²	109	45.9 Å²	45.9	51%	0.509	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-40.3	-171.9	-74.4	-168	119.4	0	0	112.9	V145 V169 D197 T199	V145-E171 HydrophobicContact CG2-CG 4.33Å; V169-E171 PolarHBondContact O-N 2.8Å; E171-D197 PolarHBondContact N-O 2.95Å; E171-T199 HydrophobicContact CG-CG2 3.82Å
172	N	94.8	Very high	97.8	Very high	152 Å²	152	43.5 Å²	43.5	81%	0.813	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-5	-175.9	-62.9	-50.5	0	0	0	113.8	K170	K170-N172 VanDerWaalsContact C-N 3.29Å; K170-N172 PolarHBondContact O-N 3.46Å
173	E	96.4	Very high	97.8	Very high	77 Å²	77	44.2 Å²	44.2	36%	0.36	23%	0.229	S	C	.	.			trans	-150.6	79.1	-176.1	-170.8	166.9	-150.8	0	0	110.9	K170 S175 E176	K170-E173 HydrophobicContact CD-CB 4.05Å; K170-E173 HydrophobicContact CG-CB 4.36Å; K170-E173 IonicContact NZ-OE2 3.63Å; K170-E173 PolarHBondContact NZ-OE2 2.8Å; K170-E173 CarbonylContact O-C 3.56Å; K170-E173 PolarHBondContact O-N 2.89Å; E173-S175 PolarHBondContact O-N 3.19Å; E173-E176 HydrophobicContact CG-CB 4.39Å; E173-E176 HydrophobicContact CG-CG 3.96Å; E173-E176 WeakPolarHBondContact O-CB 3.33Å; E173-E176 PolarHBondContact O-N 2.97Å; E173-E176 VanDerWaalsContact OE2-CD 3.25Å
174	P	94.9	Very high	97.8	Very high	97 Å²	97	45.6 Å²	45.6	63%	0.63	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-11.8	-171.9	-25.4	35.6	0	0	0	115.7	V169	V169-P174 HydrophobicContact CG1-CB 4.19Å
175	S	97	Very high	97.8	Very high	85 Å²	85	48.2 Å²	48.2	59%	0.594	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-17.2	169.6	48.2	0	0	0	0	113.2	S44 E173	S44-S175 WeakPolarHBondContact CB-O 3.42Å; S44-S175 PolarHBondContact OG-O 2.56Å; E173-S175 PolarHBondContact O-N 3.19Å
176	E	97.8	Very high	97.8	Very high	47 Å²	47	48.2 Å²	48.2	22%	0.22	24%	0.239	C	C	.	.			trans	-92.9	110.1	173.1	-71.2	-165	169.5	0	0	110.5	S44 L48 K170 E173	S44-E176 WeakPolarHBondContact OG-CA 3.44Å; L48-E176 HydrophobicContact CD2-CB 3.79Å; L48-E176 HydrophobicContact CD2-CG 4.24Å; K170-E176 HydrophobicContact CB-CB 4.02Å; K170-E176 HydrophobicContact CD-CB 4.06Å; K170-E176 WeakPolarHBondContact CD-OE2 3.45Å; K170-E176 WeakPolarHBondContact CE-OE2 3.49Å; K170-E176 PolarHBondContact N-O 2.69Å; K170-E176 IonicContact NZ-OE1 2.68Å; K170-E176 IonicContact NZ-OE2 3.61Å; K170-E176 PolarHBondContact NZ-OE2 3.32Å; E173-E176 HydrophobicContact CG-CB 4.39Å; E173-E176 HydrophobicContact CG-CG 3.96Å; E173-E176 WeakPolarHBondContact O-CB 3.33Å; E173-E176 PolarHBondContact O-N 2.97Å; E173-E176 VanDerWaalsContact OE2-CD 3.25Å
177	W	98.2	Very high	97.8	Very high	85 Å²	85	48.1 Å²	48.1	32%	0.322	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	156.8	-179.2	61.9	-97.5	0	0	0	112.4	V42 G43 S44 L48 L168 V169 D179	V42-W177 HydrophobicContact CG2-CZ3 4.32Å; G43-W177 CarbonylContact C-O 3.52Å; G43-W177 WeakPolarHBondContact CA-O 3.46Å; S44-W177 PolarHBondContact N-O 2.72Å; S44-W177 PolarHBondContact OG-N 3.38Å; L48-W177 WeakPolarHBondContact CD2-O 3.12Å; L168-W177 CarbonylContact O-C 3.57Å; L168-W177 WeakPolarHBondContact O-CA 3.5Å; L168-W177 VanDerWaalsContact O-CB 3.27Å; L168-W177 WeakPolarHBondContact O-CB 3.32Å; V169-W177 HydrophobicContact CG2-CB 4.13Å; W177-D179 HydrophobicContact CZ3-CB 4.15Å
178	L	98.4	Very high	97.8	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.5	170.4	-55.7	109.5	0	0	0	110.2	V41 V42 L48 V49 V52 R167 L168 L180 F198	V41-L178 HydrophobicContact CG1-CD2 3.89Å; V42-L178 CarbonylContact O-C 3.56Å; V42-L178 VanDerWaalsContact O-CA 3.22Å; V42-L178 WeakPolarHBondContact O-CA 3.3Å; L48-L178 HydrophobicContact CD2-CD1 4.36Å; L48-L178 HydrophobicContact CD2-CG 4.37Å; L48-L178 HydrophobicContact CG-CD1 4.46Å; V49-L178 HydrophobicContact CG2-CD2 4.09Å; V52-L178 HydrophobicContact CG2-CD1 3.72Å; V52-L178 HydrophobicContact CG2-CD2 3.55Å; V52-L178 HydrophobicContact CG2-CG 4.26Å; R167-L178 CarbonylContact C-O 3.45Å; R167-L178 WeakPolarHBondContact CA-O 3.41Å; L168-L178 HydrophobicContact CB-CB 4.24Å; L168-L178 HydrophobicContact CB-CD1 4.15Å; L168-L178 HydrophobicContact CD1-CB 4.48Å; L168-L178 HydrophobicContact CD1-CD1 4.22Å; L168-L178 PolarHBondContact N-O 3.26Å; L168-L178 PolarHBondContact O-N 3.46Å; L178-L180 HydrophobicContact CB-CD1 4.15Å; L178-F198 HydrophobicContact CD1-CD1 4.13Å; L178-F198 HydrophobicContact CD1-CE1 3.8Å; L178-F198 HydrophobicContact CD1-CZ 4.43Å
179	D	98.6	Very high	97.8	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.027	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.7	165.2	-73.5	-15	0	0	0	108.8	V41 V42 I165 R167 W177 F210	V41-D179 WeakPolarHBondContact CA-O 3.34Å; V42-D179 HydrophobicContact CG2-CB 3.83Å; V42-D179 PolarHBondContact N-O 2.82Å; V42-D179 PolarHBondContact O-N 3.19Å; I165-D179 HydrophobicContact CG2-CB 3.95Å; R167-D179 VanDerWaalsContact CB-OD1 3.26Å; R167-D179 WeakPolarHBondContact CB-OD1 3.48Å; R167-D179 WeakPolarHBondContact CG-OD1 3.42Å; R167-D179 IonicContact CZ-OD1 3.35Å; R167-D179 IonicContact CZ-OD2 2.75Å; R167-D179 IonicContact NE-OD1 3.63Å; R167-D179 PolarHBondContact NE-OD1 2.79Å; R167-D179 IonicContact NE-OD2 3.82Å; R167-D179 IonicContact NH2-OD1 2.88Å; R167-D179 PolarHBondContact NH2-OD1 2.86Å; R167-D179 IonicContact NH2-OD2 3.55Å; R167-D179 PolarHBondContact NH2-OD2 2.76Å; W177-D179 HydrophobicContact CZ3-CB 4.15Å; D179-F210 HydrophobicContact CB-CD2 4.06Å; D179-F210 HydrophobicContact CB-CE2 4.13Å; D179-F210 WeakPolarHBondContact O-CE2 3.39Å
180	L	98.6	Very high	97.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123	177.3	-69	68.8	0	0	0	108.6	M40 V41 V56 V58 I165 M166 L168 L178 L182 L190	M40-L180 CarbonylContact O-C 3.49Å; M40-L180 WeakPolarHBondContact O-CA 3.31Å; V41-L180 HydrophobicContact CG2-CG 4.28Å; V56-L180 HydrophobicContact CG1-CD1 3.96Å; V56-L180 HydrophobicContact CG1-CD2 3.53Å; V56-L180 HydrophobicContact CG1-CG 3.87Å; V58-L180 HydrophobicContact CG2-CB 3.89Å; V58-L180 HydrophobicContact CG2-CD2 3.78Å; V58-L180 HydrophobicContact CG2-CG 4Å; I165-L180 WeakPolarHBondContact CA-O 3.39Å; M166-L180 HydrophobicContact CB-CB 4.31Å; M166-L180 PolarHBondContact N-O 3.41Å; M166-L180 PolarHBondContact O-N 2.87Å; M166-L180 HydrophobicContact SD-CD2 4.46Å; L168-L180 HydrophobicContact CD1-CD1 3.79Å; L168-L180 HydrophobicContact CG-CD1 3.78Å; L178-L180 HydrophobicContact CB-CD1 4.15Å; L180-L182 HydrophobicContact CB-CD2 3.97Å; L180-L182 HydrophobicContact CD2-CD2 4.47Å; L180-L182 PolarHBondContact O-N 3.14Å; L180-L190 HydrophobicContact CD2-CD2 4.19Å
181	L	98.7	Very high	97.9	Very high	29 Å²	29	43.4 Å²	43.4	15%	0.152	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	100.1	172.1	-177.7	61.8	0	0	0	109.6	M40 T183 F210 V215	M40-L181 PolarHBondContact O-N 3.44Å; M40-L181 HydrophobicContact SD-CB 4.33Å; M40-L181 HydrophobicContact SD-CD2 4.33Å; M40-L181 HydrophobicContact SD-CG 4.49Å; L181-T183 HydrophobicContact CD2-CG2 4.08Å; L181-T183 HydrophobicContact CG-CG2 3.95Å; L181-T183 PolarHBondContact O-N 3.44Å; L181-F210 HydrophobicContact CB-CD1 4.02Å; L181-F210 HydrophobicContact CB-CD2 3.88Å; L181-F210 HydrophobicContact CB-CE1 3.88Å; L181-F210 HydrophobicContact CB-CE2 3.72Å; L181-F210 HydrophobicContact CB-CG 4.02Å; L181-F210 HydrophobicContact CB-CZ 3.73Å; L181-F210 HydrophobicContact CD1-CB 4.37Å; L181-F210 HydrophobicContact CD1-CG 4.29Å; L181-F210 HydrophobicContact CD2-CD1 4.1Å; L181-F210 HydrophobicContact CD2-CE1 4.23Å; L181-F210 HydrophobicContact CG-CD1 4.45Å; L181-V215 HydrophobicContact CD1-CG1 4.28Å; L181-V215 HydrophobicContact CD1-CG2 3.84Å
182	L	98.8	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	83.5	178.2	-54.8	-169	0	0	0	109.6	V58 D163 S164 M166 L180 Y188	V58-L182 HydrophobicContact CG1-CD2 4.42Å; V58-L182 HydrophobicContact CG2-CD2 4.01Å; D163-L182 WeakPolarHBondContact CA-O 3.21Å; S164-L182 PolarHBondContact N-O 3.09Å; S164-L182 WeakPolarHBondContact O-CA 3.15Å; S164-L182 WeakPolarHBondContact O-CB 3.23Å; S164-L182 PolarHBondContact O-N 2.82Å; M166-L182 HydrophobicContact CB-CD1 3.61Å; M166-L182 HydrophobicContact CB-CG 3.99Å; M166-L182 HydrophobicContact CE-CD1 4.1Å; L180-L182 HydrophobicContact CB-CD2 3.97Å; L180-L182 HydrophobicContact CD2-CD2 4.47Å; L180-L182 PolarHBondContact O-N 3.14Å; L182-Y188 HydrophobicContact CD1-CD1 3.76Å; L182-Y188 HydrophobicContact CD1-CE1 4.11Å; L182-Y188 HydrophobicContact CD1-CG 4.4Å; L182-Y188 HydrophobicContact CD2-CD1 4.06Å; L182-Y188 HydrophobicContact CD2-CG 4.12Å
183	T	98.6	Very high	98	Very high	25 Å²	25	39.5 Å²	39.5	15%	0.153	20%	0.196	C	C	.	.			trans	-66	152.8	176.4	51.9	0	0	0	0	111.7	M40 D163 L181 R185 S186	M40-T183 HydrophobicContact CE-CG2 4.44Å; M40-T183 HydrophobicContact SD-CG2 4.32Å; D163-T183 VanDerWaalsContact OD1-CA 3.27Å; D163-T183 WeakPolarHBondContact OD1-CA 3.31Å; L181-T183 HydrophobicContact CD2-CG2 4.08Å; L181-T183 HydrophobicContact CG-CG2 3.95Å; L181-T183 PolarHBondContact O-N 3.44Å; T183-R185 PolarHBondContact O-N 2.96Å; T183-S186 PolarHBondContact N-OG 3.08Å; T183-S186 WeakPolarHBondContact O-CB 3.42Å; T183-S186 PolarHBondContact O-N 3.29Å; T183-S186 PolarHBondContact O-OG 3.43Å
184	R	98.8	Very high	98	Very high	94 Å²	94	35.9 Å²	35.9	36%	0.355	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	134.4	169	-173.1	-168.5	168.1	-171.8	-10.3	109.2	E68 L161 D163 S186	E68-R184 VanDerWaalsContact OE1-CG 3.27Å; E68-R184 WeakPolarHBondContact OE1-CG 3.45Å; E68-R184 IonicContact OE1-CZ 3.44Å; E68-R184 IonicContact OE1-NE 3.47Å; E68-R184 PolarHBondContact OE1-NE 3.41Å; E68-R184 IonicContact OE1-NH2 2.9Å; E68-R184 IonicContact OE2-CZ 3.89Å; E68-R184 IonicContact OE2-NE 2.7Å; E68-R184 PolarHBondContact OE2-NE 3.43Å; E68-R184 IonicContact OE2-NH2 2.99Å; E68-R184 PolarHBondContact OE2-NH2 2.88Å; L161-R184 WeakPolarHBondContact O-CD 3.5Å; D163-R184 PolarHBondContact OD1-N 3.41Å; R184-S186 VanDerWaalsContact C-N 3.26Å; R184-S186 PolarHBondContact O-N 3.41Å
185	R	98.8	Very high	98.2	Very high	55 Å²	55	31.4 Å²	31.4	21%	0.208	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	13	-174.3	-56.4	176.3	-61.1	-104.9	8	115.8	F62 I63 T64 E65 E68 S159 T183	F62-R185 PolarHBondContact N-O 2.9Å; I63-R185 HydrophobicContact CD1-CB 4.33Å; I63-R185 HydrophobicContact CD1-CG 4.25Å; I63-R185 HydrophobicContact CG1-CB 3.53Å; I63-R185 HydrophobicContact CG1-CG 3.78Å; I63-R185 PolarHBondContact N-O 2.7Å; I63-R185 WeakPolarHBondContact O-CB 3.42Å; I63-R185 WeakPolarHBondContact O-CD 3.43Å; T64-R185 WeakPolarHBondContact O-CD 3.42Å; E65-R185 IonicContact OE1-CZ 3.45Å; E65-R185 IonicContact OE1-NH1 3.86Å; E65-R185 PolarHBondContact OE1-NH1 3.04Å; E65-R185 IonicContact OE1-NH2 3.42Å; E65-R185 PolarHBondContact OE1-NH2 2.84Å; E68-R185 HydrophobicContact CB-CG 4.15Å; E68-R185 HydrophobicContact CG-CG 4.43Å; E68-R185 WeakPolarHBondContact OE2-CG 3.32Å; E68-R185 IonicContact OE2-NH1 3.67Å; S159-R185 VanDerWaalsContact O-CA 3.28Å; S159-R185 WeakPolarHBondContact O-CA 3.26Å; S159-R185 PolarHBondContact O-N 3.33Å; T183-R185 PolarHBondContact O-N 2.96Å
186	S	98.8	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.136	C	C	.	.			trans	-81.3	155.5	173.3	65.8	0	0	0	0	112.7	R59 L158 S159 T183 R184	R59-S186 CarbonylContact O-C 3.47Å; R59-S186 WeakPolarHBondContact O-CA 3.45Å; R59-S186 WeakPolarHBondContact O-CB 3.26Å; L158-S186 WeakPolarHBondContact CA-O 3.28Å; S159-S186 PolarHBondContact N-O 3.32Å; T183-S186 PolarHBondContact N-OG 3.08Å; T183-S186 WeakPolarHBondContact O-CB 3.42Å; T183-S186 PolarHBondContact O-N 3.29Å; T183-S186 PolarHBondContact O-OG 3.43Å; R184-S186 VanDerWaalsContact C-N 3.26Å; R184-S186 PolarHBondContact O-N 3.41Å
187	L	98.9	Very high	98.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.3	163.3	173.8	65.6	0	0	0	108.6	V58 R59 F62 V115 V118 A156 G157 L158 I189	V58-L187 WeakPolarHBondContact CA-O 3.36Å; R59-L187 HydrophobicContact CB-CB 4.41Å; R59-L187 PolarHBondContact N-O 3.03Å; R59-L187 PolarHBondContact O-N 2.96Å; F62-L187 HydrophobicContact CB-CB 3.75Å; F62-L187 HydrophobicContact CD1-CB 3.81Å; F62-L187 HydrophobicContact CD1-CD2 4.13Å; F62-L187 HydrophobicContact CD2-CB 3.98Å; F62-L187 HydrophobicContact CD2-CD2 3.87Å; F62-L187 HydrophobicContact CE1-CB 4.44Å; F62-L187 HydrophobicContact CE1-CD2 3.93Å; F62-L187 HydrophobicContact CE2-CD2 3.64Å; F62-L187 HydrophobicContact CG-CB 3.55Å; F62-L187 HydrophobicContact CG-CD2 4.1Å; F62-L187 HydrophobicContact CG-CG 4.47Å; F62-L187 HydrophobicContact CZ-CD2 3.67Å; V115-L187 HydrophobicContact CG1-CD1 3.87Å; V115-L187 HydrophobicContact CG2-CD1 4.34Å; V118-L187 HydrophobicContact CG1-CD2 4.04Å; A156-L187 HydrophobicContact CB-CD1 4.25Å; G157-L187 WeakPolarHBondContact O-CA 3.21Å; L158-L187 HydrophobicContact CD2-CB 4.04Å; L158-L187 HydrophobicContact CD2-CD1 4.07Å; L158-L187 HydrophobicContact CG-CD1 4.41Å; L187-I189 HydrophobicContact CD2-CD1 4.05Å; L187-I189 HydrophobicContact CD2-CG1 4.18Å; L187-I189 HydrophobicContact CG-CD1 4.4Å; L187-I189 HydrophobicContact CG-CG1 4.02Å
188	Y	98.8	Very high	98.2	Very high	10 Å²	10	28.3 Å²	28.3	4%	0.039	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	150.9	165.1	71.8	-93.8	0	0	0	111	E57 I155 A156 G157 M166 L182 L190	E57-Y188 CarbonylContact O-C 3.54Å; E57-Y188 VanDerWaalsContact O-CA 3.23Å; E57-Y188 WeakPolarHBondContact O-CA 3.32Å; I155-Y188 HydrophobicContact CG2-CE2 4.24Å; A156-Y188 VanDerWaalsContact CA-O 3.31Å; A156-Y188 WeakPolarHBondContact CA-O 3.42Å; G157-Y188 VanDerWaalsContact CA-CE1 3.41Å; G157-Y188 PolarHBondContact N-O 3.27Å; G157-Y188 WeakPolarHBondContact O-CD1 3.49Å; G157-Y188 WeakPolarHBondContact O-CE1 3.44Å; G157-Y188 PolarHBondContact O-N 2.93Å; M166-Y188 HydrophobicContact CE-CD2 4.21Å; M166-Y188 HydrophobicContact CE-CE1 4.11Å; M166-Y188 HydrophobicContact CE-CE2 3.73Å; M166-Y188 HydrophobicContact SD-CD2 4.22Å; M166-Y188 HydrophobicContact SD-CE2 4.23Å; L182-Y188 HydrophobicContact CD1-CD1 3.76Å; L182-Y188 HydrophobicContact CD1-CE1 4.11Å; L182-Y188 HydrophobicContact CD1-CG 4.4Å; L182-Y188 HydrophobicContact CD2-CD1 4.06Å; L182-Y188 HydrophobicContact CD2-CG 4.12Å; Y188-L190 HydrophobicContact CD2-CG 4.25Å
189	I	98.8	Very high	98.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	125.6	177.4	-43.1	167.1	0	0	0	109.2	E57 V118 A119 T154 I155 A156 L187 R191	E57-I189 HydrophobicContact CB-CB 4.36Å; E57-I189 PolarHBondContact N-O 2.78Å; E57-I189 PolarHBondContact O-N 3.07Å; V118-I189 HydrophobicContact CG1-CD1 4.07Å; A119-I189 HydrophobicContact CB-CD1 3.95Å; A119-I189 HydrophobicContact CB-CG1 4.11Å; A119-I189 HydrophobicContact CB-CG2 4Å; T154-I189 HydrophobicContact CG2-CG2 3.94Å; I155-I189 WeakPolarHBondContact O-CA 3.26Å; A156-I189 HydrophobicContact CB-CG1 4.49Å; A156-I189 HydrophobicContact CB-CG2 4.47Å; L187-I189 HydrophobicContact CD2-CD1 4.05Å; L187-I189 HydrophobicContact CD2-CG1 4.18Å; L187-I189 HydrophobicContact CG-CD1 4.4Å; L187-I189 HydrophobicContact CG-CG1 4.02Å; I189-R191 HydrophobicContact CG2-CG 4.11Å
190	L	98.6	Very high	98.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.6	173.9	-54.5	-178.5	0	0	0	108.8	Q55 V56 T154 I155 M166 L168 L180 Y188 R195 H200	Q55-L190 CarbonylContact O-C 3.52Å; Q55-L190 WeakPolarHBondContact O-CA 3.49Å; V56-L190 HydrophobicContact CG1-CD2 4.16Å; V56-L190 HydrophobicContact CG2-CD2 4.29Å; T154-L190 WeakPolarHBondContact CA-O 3Å; I155-L190 HydrophobicContact CB-CB 4.49Å; I155-L190 PolarHBondContact N-O 2.94Å; I155-L190 PolarHBondContact O-N 3.45Å; M166-L190 HydrophobicContact SD-CD1 3.96Å; L168-L190 HydrophobicContact CD1-CD2 3.86Å; L168-L190 HydrophobicContact CD2-CD1 4.03Å; L168-L190 HydrophobicContact CD2-CD2 4.32Å; L180-L190 HydrophobicContact CD2-CD2 4.19Å; Y188-L190 HydrophobicContact CD2-CG 4.25Å; L190-R195 HydrophobicContact CB-CB 4.41Å; L190-H200 HydrophobicContact CD1-CB 4.39Å
191	R	97.8	Very high	98.2	Very high	39 Å²	39	31 Å²	31	15%	0.147	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156.6	-179.1	-56.7	-174.8	-179.2	90.1	-8.1	111.9	Q55 E57 A119 S153 T154 I189 Q193 A194 R195	Q55-R191 HydrophobicContact CB-CB 4.4Å; Q55-R191 WeakPolarHBondContact CB-O 3.45Å; Q55-R191 PolarHBondContact O-N 3.26Å; Q55-R191 PolarHBondContact OE1-O 2.69Å; E57-R191 IonicContact OE2-NH1 2.69Å; A119-R191 PolarHBondContact O-NE 3.42Å; A119-R191 PolarHBondContact O-NH2 3.14Å; S153-R191 CarbonylContact O-C 3.59Å; S153-R191 VanDerWaalsContact O-CA 3.24Å; S153-R191 WeakPolarHBondContact O-CA 3.43Å; T154-R191 HydrophobicContact CG2-CG 4.07Å; I189-R191 HydrophobicContact CG2-CG 4.11Å; R191-Q193 PolarHBondContact O-N 2.87Å; R191-A194 WeakPolarHBondContact O-CB 3.49Å; R191-A194 PolarHBondContact O-N 3.29Å; R191-R195 PolarHBondContact O-N 2.79Å
192	D	96.5	Very high	98.2	Very high	79 Å²	79	29.8 Å²	29.8	42%	0.422	14%	0.136	S	C	.	.	H	α-helix	trans	48.5	-126.3	163.9	-51.4	-43.8	0	0	0	113	Q55 S153 A194 R195 Y196	Q55-D192 HydrophobicContact CG-CB 4.39Å; S153-D192 PolarHBondContact O-N 2.94Å; D192-A194 VanDerWaalsContact C-N 3.27Å; D192-A194 PolarHBondContact O-N 2.81Å; D192-R195 CarbonylContact O-C 3.59Å; D192-R195 WeakPolarHBondContact O-CA 3.47Å; D192-R195 WeakPolarHBondContact O-CB 3.38Å; D192-R195 PolarHBondContact O-N 2.87Å; D192-Y196 WeakPolarHBondContact O-CD2 3.41Å; D192-Y196 PolarHBondContact O-N 2.91Å
193	Q	96.2	Very high	98.1	Very high	101 Å²	101	29.8 Å²	29.8	47%	0.472	14%	0.136	S	C	.	.	H	α-helix	trans	-57.3	-39.4	-178.4	-58.5	170.7	39.2	0	0	111.7	Q55 R191 R195 Y196 D197	Q55-Q193 VanDerWaalsContact OE1-CA 3.31Å; R191-Q193 PolarHBondContact O-N 2.87Å; Q193-R195 PolarHBondContact O-N 2.91Å; Q193-Y196 PolarHBondContact O-N 2.85Å; Q193-D197 WeakPolarHBondContact CB-OD2 3.37Å; Q193-D197 WeakPolarHBondContact O-CB 3.49Å; Q193-D197 PolarHBondContact O-N 2.93Å
194	A	97.1	Very high	98.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-64.5	-24.1	176.5	0	0	0	0	0	113.4	Q55 V56 R191 D192	Q55-A194 HydrophobicContact CB-CB 3.89Å; V56-A194 HydrophobicContact CG2-CB 3.39Å; R191-A194 WeakPolarHBondContact O-CB 3.49Å; R191-A194 PolarHBondContact O-N 3.29Å; D192-A194 VanDerWaalsContact C-N 3.27Å; D192-A194 PolarHBondContact O-N 2.81Å
195	R	97.6	Very high	98.1	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.011	13%	0.134	C	C	.	.	H	α-helix	trans	-88	-29.5	174.6	174.1	-87.5	174.7	-95.6	8.2	112.7	D146 S147 C151 G152 I155 L190 R191 D192 Q193	D146-R195 VanDerWaalsContact O-CZ 3.28Å; D146-R195 PolarHBondContact O-NH1 3.44Å; D146-R195 PolarHBondContact O-NH2 2.92Å; S147-R195 PolarHBondContact O-NH2 2.96Å; C151-R195 PolarHBondContact O-NH2 3.41Å; G152-R195 VanDerWaalsContact O-CD 3.31Å; G152-R195 WeakPolarHBondContact O-CD 3.32Å; G152-R195 PolarHBondContact O-NE 3.28Å; I155-R195 HydrophobicContact CD1-CG 3.83Å; I155-R195 HydrophobicContact CG1-CG 4.12Å; L190-R195 HydrophobicContact CB-CB 4.41Å; R191-R195 PolarHBondContact O-N 2.79Å; D192-R195 CarbonylContact O-C 3.59Å; D192-R195 WeakPolarHBondContact O-CA 3.47Å; D192-R195 WeakPolarHBondContact O-CB 3.38Å; D192-R195 PolarHBondContact O-N 2.87Å; Q193-R195 PolarHBondContact O-N 2.91Å
196	Y	97.3	Very high	98	Very high	78 Å²	78	33.3 Å²	33.3	31%	0.306	16%	0.157	S	C	.	.	H	α-helix	trans	-99.7	-40.4	-171.9	-70.3	-59.4	0	0	0	113.7	V148 G152 S153 D192 Q193	V148-Y196 HydrophobicContact CB-CE1 4.46Å; V148-Y196 HydrophobicContact CG1-CD1 3.78Å; V148-Y196 HydrophobicContact CG1-CE1 3.9Å; G152-Y196 VanDerWaalsContact C-OH 3.24Å; S153-Y196 VanDerWaalsContact CA-OH 3.23Å; S153-Y196 WeakPolarHBondContact CA-OH 3.31Å; S153-Y196 PolarHBondContact N-OH 3.37Å; S153-Y196 VanDerWaalsContact N-OH 3.13Å; D192-Y196 WeakPolarHBondContact O-CD2 3.41Å; D192-Y196 PolarHBondContact O-N 2.91Å; Q193-Y196 PolarHBondContact O-N 2.85Å
197	D	97.7	Very high	98	Very high	69 Å²	69	38 Å²	38	37%	0.369	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-9.4	-168.7	-54.8	-23.8	0	0	0	112.5	K170 E171 Q193	K170-D197 WeakPolarHBondContact CA-O 3.48Å; E171-D197 PolarHBondContact N-O 2.95Å; Q193-D197 WeakPolarHBondContact CB-OD2 3.37Å; Q193-D197 WeakPolarHBondContact O-CB 3.49Å; Q193-D197 PolarHBondContact O-N 2.93Å
198	F	98.3	Very high	97.9	Very high	5 Å²	5	38 Å²	38	2%	0.022	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.5	177.7	-68.3	-108.1	0	0	0	109.8	L48 V52 L168 V169 K170 L178	L48-F198 HydrophobicContact CD1-CE1 4.4Å; L48-F198 HydrophobicContact CD1-CZ 3.93Å; V52-F198 HydrophobicContact CG1-CE2 4.24Å; V52-F198 HydrophobicContact CG1-CZ 4.3Å; L168-F198 HydrophobicContact CB-CB 4.14Å; L168-F198 HydrophobicContact CB-CD1 3.99Å; L168-F198 HydrophobicContact CB-CG 4.42Å; V169-F198 CarbonylContact O-C 3.49Å; V169-F198 WeakPolarHBondContact O-CA 3.36Å; K170-F198 HydrophobicContact CB-CD1 3.93Å; K170-F198 HydrophobicContact CB-CE1 3.62Å; K170-F198 HydrophobicContact CB-CE2 4.35Å; K170-F198 HydrophobicContact CB-CG 4.42Å; K170-F198 HydrophobicContact CB-CZ 3.83Å; K170-F198 HydrophobicContact CD-CE2 4.34Å; K170-F198 HydrophobicContact CD-CZ 3.94Å; K170-F198 HydrophobicContact CG-CE1 4.36Å; K170-F198 HydrophobicContact CG-CE2 4.24Å; K170-F198 HydrophobicContact CG-CZ 4.06Å; K170-F198 VanDerWaalsContact N-CD1 3.34Å; L178-F198 HydrophobicContact CD1-CD1 4.13Å; L178-F198 HydrophobicContact CD1-CE1 3.8Å; L178-F198 HydrophobicContact CD1-CZ 4.43Å
199	T	98.5	Very high	97.9	Very high	21 Å²	21	40.6 Å²	40.6	13%	0.129	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	151.7	158.9	61.3	0	0	0	0	109.2	P143 H144 V145 L168 V169 E171	P143-T199 HydrophobicContact CB-CG2 4.27Å; H144-T199 CarbonylContact O-C 3.58Å; H144-T199 VanDerWaalsContact O-CA 3.32Å; H144-T199 WeakPolarHBondContact O-CA 3.38Å; V145-T199 HydrophobicContact CG2-CG2 4.24Å; L168-T199 CarbonylContact C-O 3.59Å; L168-T199 WeakPolarHBondContact CA-O 3.49Å; V169-T199 PolarHBondContact N-O 3.2Å; V169-T199 PolarHBondContact O-N 2.79Å; V169-T199 PolarHBondContact O-OG1 3.33Å; E171-T199 HydrophobicContact CG-CG2 3.82Å
200	H	98.5	Very high	97.8	Very high	15 Å²	15	41.2 Å²	41.2	7%	0.069	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.2	169	67.5	-68.4	0	0	0	110.5	H144 D146 M166 R167 L168 L190	H144-H200 AromaticContact CD2-CE1 3.78Å; H144-H200 AromaticContact CE1-CD2 3.8Å; H144-H200 AromaticContact CE1-CE1 3.46Å; H144-H200 PolarHBondContact CE1-CE1 2.75Å; H144-H200 VanDerWaalsContact CE1-CE1 3.46Å; H144-H200 AromaticContact CE1-NE2 3.33Å; H144-H200 PolarHBondContact CE1-NE2 2.79Å; H144-H200 VanDerWaalsContact CE1-NE2 3.33Å; H144-H200 PolarHBondContact N-O 2.68Å; H144-H200 VanDerWaalsContact N-O 3.09Å; H144-H200 PolarHBondContact ND1-O 3.49Å; H144-H200 AromaticContact NE2-CE1 3.26Å; H144-H200 PolarHBondContact NE2-CE1 2.85Å; H144-H200 VanDerWaalsContact NE2-CE1 3.26Å; H144-H200 AromaticContact NE2-NE2 3.32Å; H144-H200 PolarHBondContact NE2-NE2 3.17Å; H144-H200 PolarHBondContact O-N 2.98Å; H144-H200 PolarHBondContact O-ND1 3.13Å; D146-H200 IonicContact OD1-CE1 3.81Å; D146-H200 PolarHBondContact OD1-CE1 2.75Å; D146-H200 IonicContact OD1-NE2 2.83Å; M166-H200 HydrophobicContact CG-CB 4.41Å; M166-H200 HydrophobicContact SD-CB 4.34Å; R167-H200 CarbonylContact O-C 3.39Å; R167-H200 VanDerWaalsContact O-CA 3.28Å; R167-H200 WeakPolarHBondContact O-CA 3.33Å; L168-H200 HydrophobicContact CD2-CB 3.41Å; L168-H200 VanDerWaalsContact CD2-CB 3.41Å; L190-H200 HydrophobicContact CD1-CB 4.39Å
201	E	98.5	Very high	97.6	Very high	27 Å²	27	43.1 Å²	43.1	13%	0.126	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	158.6	-179.9	66	179.6	136.5	0	0	110.7	I141 P143 M166 R167 L203	I141-E201 WeakPolarHBondContact O-CA 3.34Å; I141-E201 VanDerWaalsContact O-CB 3.26Å; I141-E201 WeakPolarHBondContact O-CB 3.29Å; P143-E201 WeakPolarHBondContact CD-OE2 3.27Å; P143-E201 HydrophobicContact CG-CB 4.13Å; P143-E201 HydrophobicContact CG-CG 4.36Å; M166-E201 CarbonylContact C-O 3.56Å; M166-E201 WeakPolarHBondContact CA-O 3.44Å; R167-E201 HydrophobicContact CB-CG 3.65Å; R167-E201 WeakPolarHBondContact CD-OE1 3.5Å; R167-E201 HydrophobicContact CG-CG 4.27Å; R167-E201 PolarHBondContact N-O 2.9Å; R167-E201 PolarHBondContact O-N 2.82Å; E201-L203 HydrophobicContact CG-CD2 3.94Å
202	V	98.6	Very high	97.5	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.3	170.7	174.2	0	0	0	0	107.7	L135 Y140 I141 I165	L135-V202 HydrophobicContact CD1-CG1 4.19Å; Y140-V202 WeakPolarHBondContact CB-O 3.5Å; I141-V202 HydrophobicContact CB-CB 4.05Å; I141-V202 HydrophobicContact CB-CG2 4.36Å; I141-V202 HydrophobicContact CD1-CB 4.11Å; I141-V202 HydrophobicContact CD1-CG2 3.7Å; I141-V202 HydrophobicContact CG1-CB 4.04Å; I141-V202 HydrophobicContact CG1-CG2 4.2Å; I141-V202 PolarHBondContact N-O 3.01Å; I141-V202 PolarHBondContact O-N 2.69Å; I165-V202 WeakPolarHBondContact O-CA 3.48Å
203	L	98.5	Very high	97.4	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.238	C	C	.	.			trans	-64.1	145.8	-167.7	-60	-177.1	0	0	0	113.3	I165 R167 E201 E207 R217	I165-L203 HydrophobicContact CB-CD1 3.94Å; I165-L203 HydrophobicContact CB-CG 4.29Å; I165-L203 HydrophobicContact CD1-CD1 4.34Å; I165-L203 HydrophobicContact CG2-CD1 3.71Å; I165-L203 HydrophobicContact CG2-CG 4.28Å; I165-L203 PolarHBondContact O-N 3.24Å; I165-L203 VanDerWaalsContact O-N 3.13Å; R167-L203 HydrophobicContact CB-CD2 3.98Å; R167-L203 HydrophobicContact CB-CG 4.35Å; E201-L203 HydrophobicContact CG-CD2 3.94Å; L203-E207 HydrophobicContact CB-CB 4.46Å; L203-R217 PolarHBondContact O-NH1 2.98Å
204	K	97.8	Very high	97.5	Very high	65 Å²	65	47.5 Å²	47.5	28%	0.283	24%	0.241	S	C	.	.			trans	-67	162.1	171.9	-61.6	175.1	179.7	-175.7	0	112	Y140 E206 E207 S208	Y140-K204 HydrophobicContact CD1-CD 4.2Å; Y140-K204 HydrophobicContact CD1-CG 3.76Å; Y140-K204 HydrophobicContact CD2-CD 4.28Å; Y140-K204 HydrophobicContact CD2-CG 3.85Å; Y140-K204 HydrophobicContact CE1-CD 4.33Å; Y140-K204 HydrophobicContact CE1-CG 4.38Å; Y140-K204 HydrophobicContact CE2-CD 4.38Å; Y140-K204 HydrophobicContact CE2-CG 4.43Å; Y140-K204 HydrophobicContact CG-CD 4.2Å; Y140-K204 HydrophobicContact CG-CG 3.48Å; Y140-K204 VanDerWaalsContact CG-CG 3.48Å; Y140-K204 PolarHBondContact OH-NZ 3.22Å; K204-E206 WeakPolarHBondContact CB-OE2 3.27Å; K204-E206 PolarHBondContact O-N 3.33Å; K204-E207 CarbonylContact O-C 3.51Å; K204-E207 PolarHBondContact O-N 2.64Å; K204-E207 VanDerWaalsContact O-N 3.08Å; K204-S208 WeakPolarHBondContact O-CB 3.34Å; K204-S208 PolarHBondContact O-N 3.3Å
205	D	97.7	Very high	97.6	Very high	33 Å²	33	48.2 Å²	48.2	18%	0.176	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.2	-178.2	-167.1	48.5	0	0	0	113.4	E207 R214 R217	D205-E207 VanDerWaalsContact C-N 3.33Å; D205-R214 PolarHBondContact O-NH2 2.68Å; D205-R214 VanDerWaalsContact O-NH2 3.08Å; D205-R214 IonicContact OD1-CZ 3.72Å; D205-R214 IonicContact OD1-NH2 2.68Å; D205-R214 PolarHBondContact OD1-NH2 2.88Å; D205-R214 IonicContact OD2-CZ 2.83Å; D205-R214 IonicContact OD2-NH2 3.16Å; D205-R214 PolarHBondContact OD2-NH2 3.21Å; D205-R217 HydrophobicContact CB-CB 3.89Å; D205-R217 HydrophobicContact CB-CG 4.06Å; D205-R217 PolarHBondContact OD1-N 2.99Å
206	E	97.6	Very high	97.6	Very high	150 Å²	150	51.3 Å²	51.3	70%	0.701	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-27.7	179	-57.5	74.7	-158.9	0	0	112.2	K204	K204-E206 WeakPolarHBondContact CB-OE2 3.27Å; K204-E206 PolarHBondContact O-N 3.33Å
207	E	97.8	Very high	97.6	Very high	99 Å²	99	47.7 Å²	47.7	46%	0.463	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-7.3	-175.8	-64.7	167.6	172.2	0	0	112.3	L203 K204 D205 V209	L203-E207 HydrophobicContact CB-CB 4.46Å; K204-E207 CarbonylContact O-C 3.51Å; K204-E207 PolarHBondContact O-N 2.64Å; K204-E207 VanDerWaalsContact O-N 3.08Å; D205-E207 VanDerWaalsContact C-N 3.33Å; E207-V209 VanDerWaalsContact C-N 3.32Å; E207-V209 PolarHBondContact O-N 3.47Å
208	S	97.9	Very high	97.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.254	C	S	.	.			trans	-75.5	80.2	-173	-151.6	0	0	0	0	112.1	K204 V215	K204-S208 WeakPolarHBondContact O-CB 3.34Å; K204-S208 PolarHBondContact O-N 3.3Å; S208-V215 WeakPolarHBondContact CB-O 3.46Å; S208-V215 PolarHBondContact O-N 2.66Å; S208-V215 PolarHBondContact OG-O 2.76Å
209	V	98	Very high	97.7	Very high	63 Å²	63	51.5 Å²	51.5	38%	0.382	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	115.3	177.5	-178.4	0	0	0	0	109.4	E207 H213	E207-V209 VanDerWaalsContact C-N 3.32Å; E207-V209 PolarHBondContact O-N 3.47Å; V209-H213 CarbonylContact C-O 3.49Å; V209-H213 WeakPolarHBondContact CA-O 3.29Å
210	F	97.8	Very high	97.7	Very high	14 Å²	14	50.6 Å²	50.6	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.4	177.8	-173.6	-98.1	0	0	0	109.9	V39 V42 I165 D179 L181 G212 H213 V215	V39-F210 VanDerWaalsContact O-CE1 3.26Å; V39-F210 WeakPolarHBondContact O-CE1 3.15Å; V42-F210 HydrophobicContact CG1-CE1 4.42Å; V42-F210 HydrophobicContact CG1-CZ 3.99Å; V42-F210 HydrophobicContact CG2-CD2 4.4Å; V42-F210 HydrophobicContact CG2-CE2 3.88Å; V42-F210 HydrophobicContact CG2-CZ 4.17Å; I165-F210 HydrophobicContact CD1-CB 3.58Å; I165-F210 HydrophobicContact CG1-CB 4.04Å; I165-F210 HydrophobicContact CG1-CD2 4.49Å; I165-F210 HydrophobicContact CG2-CD2 4.5Å; D179-F210 HydrophobicContact CB-CD2 4.06Å; D179-F210 HydrophobicContact CB-CE2 4.13Å; D179-F210 WeakPolarHBondContact O-CE2 3.39Å; L181-F210 HydrophobicContact CB-CD1 4.02Å; L181-F210 HydrophobicContact CB-CD2 3.88Å; L181-F210 HydrophobicContact CB-CE1 3.88Å; L181-F210 HydrophobicContact CB-CE2 3.72Å; L181-F210 HydrophobicContact CB-CG 4.02Å; L181-F210 HydrophobicContact CB-CZ 3.73Å; L181-F210 HydrophobicContact CD1-CB 4.37Å; L181-F210 HydrophobicContact CD1-CG 4.29Å; L181-F210 HydrophobicContact CD2-CD1 4.1Å; L181-F210 HydrophobicContact CD2-CE1 4.23Å; L181-F210 HydrophobicContact CG-CD1 4.45Å; F210-G212 PolarHBondContact O-N 2.88Å; F210-H213 PolarHBondContact N-O 3.36Å; F210-H213 WeakPolarHBondContact O-CB 3.32Å; F210-H213 PolarHBondContact O-N 2.92Å; F210-V215 HydrophobicContact CB-CG2 3.85Å
211	N	94.4	Very high	97.7	Very high	41 Å²	41	49.9 Å²	49.9	22%	0.219	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	45.3	177.9	-169.1	22.5	0	0	0	113.1	V16 V42 H213	V16-N211 WeakPolarHBondContact CG1-OD1 3.19Å; V42-N211 HydrophobicContact CG1-CB 4.24Å; N211-H213 VanDerWaalsContact C-N 3.26Å; N211-H213 PolarHBondContact O-N 3.34Å; N211-H213 PolarHBondContact O-ND1 3.37Å
212	G	94.8	Very high	97.7	Very high	69 Å²	69	48.7 Å²	48.7	71%	0.711	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	-1.8	-178.3	0	0	0	0	0	115.8	F210	F210-G212 PolarHBondContact O-N 2.88Å
213	H	95.8	Very high	97.7	Very high	102 Å²	102	48.6 Å²	48.6	47%	0.472	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.7	-179.4	-60.3	86.8	0	0	0	111	Q36 V209 F210 N211	Q36-H213 PolarHBondContact OE1-CE1 2.93Å; V209-H213 CarbonylContact C-O 3.49Å; V209-H213 WeakPolarHBondContact CA-O 3.29Å; F210-H213 PolarHBondContact N-O 3.36Å; F210-H213 WeakPolarHBondContact O-CB 3.32Å; F210-H213 PolarHBondContact O-N 2.92Å; N211-H213 VanDerWaalsContact C-N 3.26Å; N211-H213 PolarHBondContact O-N 3.34Å; N211-H213 PolarHBondContact O-ND1 3.37Å
214	R	97.5	Very high	97.7	Very high	140 Å²	140	48.9 Å²	48.9	53%	0.528	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	133.7	177.4	-170	171.9	-168	-96.1	-8.9	110.5	D205 P216	D205-R214 PolarHBondContact O-NH2 2.68Å; D205-R214 VanDerWaalsContact O-NH2 3.08Å; D205-R214 IonicContact OD1-CZ 3.72Å; D205-R214 IonicContact OD1-NH2 2.68Å; D205-R214 PolarHBondContact OD1-NH2 2.88Å; D205-R214 IonicContact OD2-CZ 2.83Å; D205-R214 IonicContact OD2-NH2 3.16Å; D205-R214 PolarHBondContact OD2-NH2 3.21Å; R214-P216 WeakPolarHBondContact O-CD 3.47Å
215	V	98.1	Very high	97.8	Very high	15 Å²	15	46 Å²	46	9%	0.091	24%	0.239	C	C	.	.			trans	-113.9	94	173.4	-178.6	0	0	0	0	107.8	D163 I165 L181 S208 F210 R217	D163-V215 HydrophobicContact CB-CG1 3.79Å; I165-V215 HydrophobicContact CD1-CB 4.16Å; I165-V215 HydrophobicContact CD1-CG2 4.02Å; I165-V215 HydrophobicContact CG1-CB 4.27Å; I165-V215 HydrophobicContact CG1-CG2 4.2Å; L181-V215 HydrophobicContact CD1-CG1 4.28Å; L181-V215 HydrophobicContact CD1-CG2 3.84Å; S208-V215 WeakPolarHBondContact CB-O 3.46Å; S208-V215 PolarHBondContact O-N 2.66Å; S208-V215 PolarHBondContact OG-O 2.76Å; F210-V215 HydrophobicContact CB-CG2 3.85Å; V215-R217 PolarHBondContact O-N 3.26Å
216	P	97.8	Very high	97.8	Very high	69 Å²	69	46.5 Å²	46.5	45%	0.448	24%	0.238	S	C	.	.			trans	-61.7	127.4	-175.8	-22.2	33.5	0	0	0	111.8	R214	R214-P216 WeakPolarHBondContact O-CD 3.47Å
217	R	98.4	Very high	97.8	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	21%	0.207	C	C	.	.			trans	-71.6	141.8	174.5	-69	-65.5	-51.6	-67.7	-15.4	110.6	K137 G139 L203 D205 V215	K137-R217 WeakPolarHBondContact CG-O 3.27Å; G139-R217 PolarHBondContact O-NH1 3.08Å; G139-R217 PolarHBondContact O-NH2 2.82Å; L203-R217 PolarHBondContact O-NH1 2.98Å; D205-R217 HydrophobicContact CB-CB 3.89Å; D205-R217 HydrophobicContact CB-CG 4.06Å; D205-R217 PolarHBondContact OD1-N 2.99Å; V215-R217 PolarHBondContact O-N 3.26Å
218	Q	98.6	Very high	97.7	Very high	92 Å²	92	38.4 Å²	38.4	43%	0.43	20%	0.202	S	C	.	.			trans	-137.3	-178.6	168.7	-59.1	-64.1	-25.1	0	0	108.1	S162 R220	S162-Q218 PolarHBondContact OG-O 2.76Å; Q218-R220 PolarHBondContact O-N 3.49Å
219	R	98.6	Very high	97.4	Very high	63 Å²	63	40.8 Å²	40.8	24%	0.238	22%	0.218	C	C	.	.			trans	-56.7	127.8	171.3	-178.1	-173.6	174.3	-149.8	-2.9	109.7	E76 Y84 D134 L135 L161 S162	E76-R219 VanDerWaalsContact CD-NH2 3.3Å; E76-R219 IonicContact OE1-CZ 3.08Å; E76-R219 IonicContact OE1-NH1 3.81Å; E76-R219 PolarHBondContact OE1-NH1 2.96Å; E76-R219 IonicContact OE1-NH2 3.25Å; E76-R219 PolarHBondContact OE1-NH2 2.74Å; E76-R219 IonicContact OE2-CZ 3.97Å; E76-R219 IonicContact OE2-NH1 2.69Å; E76-R219 IonicContact OE2-NH2 2.98Å; E76-R219 PolarHBondContact OE2-NH2 3.07Å; Y84-R219 PolarHBondContact OH-NE 2.91Å; D134-R219 IonicContact OD1-CZ 2.75Å; D134-R219 IonicContact OD1-NE 3.81Å; D134-R219 PolarHBondContact OD1-NE 3.26Å; D134-R219 IonicContact OD1-NH2 3.58Å; D134-R219 IonicContact OD2-CZ 3.9Å; D134-R219 IonicContact OD2-NE 3.9Å; D134-R219 PolarHBondContact OD2-NE 2.85Å; D134-R219 IonicContact OD2-NH2 2.97Å; D134-R219 PolarHBondContact OD2-NH2 2.99Å; L135-R219 CarbonylContact O-C 3.42Å; L135-R219 VanDerWaalsContact O-CA 3.28Å; L135-R219 WeakPolarHBondContact O-CA 3.3Å; L135-R219 WeakPolarHBondContact O-CG 3.2Å; L161-R219 WeakPolarHBondContact CB-O 3.16Å; L161-R219 HydrophobicContact CD1-CG 4.14Å; S162-R219 PolarHBondContact OG-O 3.18Å
220	R	98.8	Very high	96.6	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.2	-176.3	177	-177.7	172.5	-78.1	-2.6	109.9	L135 S159 S164 Q218 S222	L135-R220 PolarHBondContact N-O 2.86Å; L135-R220 PolarHBondContact O-N 2.88Å; S159-R220 PolarHBondContact OG-NH2 2.93Å; S164-R220 VanDerWaalsContact OG-CD 3.28Å; S164-R220 WeakPolarHBondContact OG-CD 3.32Å; S164-R220 PolarHBondContact OG-NE 3.12Å; Q218-R220 PolarHBondContact O-N 3.49Å; R220-S222 PolarHBondContact NH1-OG 2.72Å
221	I	98.9	Very high	96.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	138.4	168.2	-64.3	168.2	0	0	0	108.5	L72 L75 L79 V132 L133 D134 L160 L161	L72-I221 HydrophobicContact CD2-CD1 3.73Å; L75-I221 HydrophobicContact CD1-CG2 4.29Å; L79-I221 HydrophobicContact CD1-CD1 3.78Å; L79-I221 HydrophobicContact CD1-CG1 4.31Å; V132-I221 HydrophobicContact CG1-CG2 3.98Å; L133-I221 CarbonylContact O-C 3.5Å; L133-I221 VanDerWaalsContact O-CA 3.32Å; L133-I221 WeakPolarHBondContact O-CA 3.36Å; D134-I221 HydrophobicContact CB-CG1 3.94Å; L160-I221 HydrophobicContact CB-CB 4.21Å; L160-I221 WeakPolarHBondContact CB-O 3.32Å; L160-I221 HydrophobicContact CD1-CB 4.32Å; L160-I221 HydrophobicContact CD1-CG2 4.01Å; L160-I221 PolarHBondContact N-O 3.01Å; L160-I221 PolarHBondContact O-N 2.77Å; L161-I221 HydrophobicContact CD1-CB 4.47Å; L161-I221 HydrophobicContact CD1-CD1 3.69Å; L161-I221 HydrophobicContact CD1-CG1 3.82Å; L161-I221 HydrophobicContact CG-CD1 4.43Å
222	S	98.9	Very high	96.7	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.014	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.7	166.7	38.9	0	0	0	0	112.6	V132 L133 L158 R220 I224	V132-S222 WeakPolarHBondContact CA-O 3.37Å; L133-S222 PolarHBondContact N-O 3.29Å; L133-S222 PolarHBondContact O-N 3.04Å; L158-S222 WeakPolarHBondContact O-CA 3.35Å; L158-S222 WeakPolarHBondContact O-CB 3.28Å; R220-S222 PolarHBondContact NH1-OG 2.72Å; S222-I224 WeakPolarHBondContact O-CD1 3.49Å
223	V	98.8	Very high	96.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	110.7	174	-174.6	0	0	0	0	107.6	L75 W104 L112 V130 V132 G157 L158 L160	L75-V223 HydrophobicContact CD1-CG2 3.94Å; W104-V223 HydrophobicContact CH2-CG1 3.92Å; W104-V223 HydrophobicContact CH2-CG2 4.49Å; W104-V223 HydrophobicContact CZ2-CG1 4.09Å; L112-V223 HydrophobicContact CD2-CG1 3.83Å; V130-V223 HydrophobicContact CG1-CG1 3.54Å; V132-V223 HydrophobicContact CG2-CG1 4.38Å; V132-V223 HydrophobicContact CG2-CG2 4.42Å; G157-V223 WeakPolarHBondContact CA-O 3.49Å; L158-V223 HydrophobicContact CB-CB 4.33Å; L158-V223 PolarHBondContact N-O 2.92Å; L158-V223 PolarHBondContact O-N 3.2Å; L158-V223 VanDerWaalsContact O-N 3.13Å; L160-V223 HydrophobicContact CD1-CG2 4.2Å
224	I	98.8	Very high	96.8	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.036	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120	-166.6	-50.7	92.7	0	0	0	110.2	V130 H131 L133 I155 A156 S222 R226	V130-I224 WeakPolarHBondContact CG1-O 3.31Å; H131-I224 HydrophobicContact CB-CB 4.33Å; H131-I224 PolarHBondContact N-O 3.47Å; H131-I224 VanDerWaalsContact N-O 3.13Å; H131-I224 WeakPolarHBondContact O-CD1 3.18Å; H131-I224 PolarHBondContact O-N 2.99Å; L133-I224 HydrophobicContact CB-CD1 4.04Å; I155-I224 HydrophobicContact CG2-CG2 3.78Å; A156-I224 WeakPolarHBondContact O-CA 3.46Å; S222-I224 WeakPolarHBondContact O-CD1 3.49Å; I224-R226 HydrophobicContact CG2-CG 4.35Å
225	C	98.4	Very high	96.8	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.027	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	144.2	170.4	-67.4	0	0	0	0	109.6	F120 A156	F120-C225 HydrophobicContact CE2-CB 3.77Å; F120-C225 HydrophobicContact CZ-CB 3.81Å; A156-C225 PolarHBondContact N-O 3.13Å; A156-C225 PolarHBondContact O-N 2.98Å
226	R	98.1	Very high	96.7	Very high	44 Å²	44	37.5 Å²	37.5	17%	0.166	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	158.3	177.1	-64.2	172.8	174.1	107.9	-4.7	109.3	L127 H131 D146 I155 I224	L127-R226 HydrophobicContact CB-CB 4.05Å; L127-R226 HydrophobicContact CD2-CB 4.06Å; L127-R226 PolarHBondContact N-O 3.12Å; H131-R226 PolarHBondContact ND1-NH1 3.41Å; H131-R226 VanDerWaalsContact ND1-NH1 3.17Å; D146-R226 IonicContact OD1-NH2 3.35Å; D146-R226 IonicContact OD2-CZ 3.35Å; D146-R226 VanDerWaalsContact OD2-CZ 3.25Å; D146-R226 IonicContact OD2-NE 3.34Å; D146-R226 PolarHBondContact OD2-NE 3.11Å; D146-R226 IonicContact OD2-NH2 2.74Å; D146-R226 PolarHBondContact OD2-NH2 3.33Å; I155-R226 HydrophobicContact CG1-CG 4.4Å; I224-R226 HydrophobicContact CG2-CG 4.35Å
227	N	97.2	Very high	96.6	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.037	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	160.1	166.1	60.8	-18.7	0	0	0	111.5	F120 P125 L126 G152 S153 T154	F120-N227 HydrophobicContact CD1-CB 3.88Å; F120-N227 HydrophobicContact CE1-CB 4.02Å; P125-N227 CarbonylContact O-C 3.59Å; P125-N227 WeakPolarHBondContact O-CA 3.28Å; P125-N227 WeakPolarHBondContact O-CB 3.28Å; L126-N227 HydrophobicContact CD2-CB 4.5Å; G152-N227 WeakPolarHBondContact CA-OD1 3.21Å; G152-N227 PolarHBondContact N-O 2.95Å; S153-N227 PolarHBondContact N-ND2 3.23Å; S153-N227 PolarHBondContact N-OD1 2.56Å; S153-N227 VanDerWaalsContact N-OD1 3.09Å; S153-N227 PolarHBondContact OG-ND2 2.65Å; T154-N227 PolarHBondContact N-OD1 2.75Å; T154-N227 PolarHBondContact O-N 3.45Å; T154-N227 PolarHBondContact O-OD1 3Å
228	L	95.8	Very high	96.5	Very high	72 Å²	72	37.8 Å²	37.8	38%	0.377	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-68.6	151.5	167.3	-67.4	-177.3	0	0	0	109.8	P125 L127	P125-L228 HydrophobicContact CB-CB 4.26Å; P125-L228 HydrophobicContact CB-CD1 4.07Å; P125-L228 HydrophobicContact CB-CG 4.37Å; P125-L228 HydrophobicContact CG-CB 4.21Å; P125-L228 PolarHBondContact O-N 2.95Å; L127-L228 HydrophobicContact CB-CD2 4.01Å; L127-L228 HydrophobicContact CD1-CD2 3.46Å; L127-L228 VanDerWaalsContact CD1-CD2 3.46Å; L127-L228 HydrophobicContact CG-CD2 4.34Å
229	P	93	Very high	96.3	Very high	50 Å²	50	33.3 Å²	33.3	33%	0.325	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-54.6	142.4	167.1	-21.8	33.3	0	0	0	110.9
230	G	80.6	Confident	96.1	Very high	149 Å²	149	30.6 Å²	30.6	100%	1.536	23%	0.23	S	C	*	.			trans	-78.8	0	176.1	0	0	0	0	0	113.3

Retrieved 230 of 230 residues in 376.5 ms (Link to these results)

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