G4VTR7_SCHMA Loading...

Nuclear movement protein related

AlphaFold DB , UniProt , Accession G4VTR7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 174 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.5	Very low	33.6	Very low	249 Å²	249	157.1 Å²	157.1	100%	1.227	84%	0.838	S	S	*	*				0	112.7	0	-76.4	173.5	-164.3	0	0	107.8
2	Q	28	Very low	33.7	Very low	197 Å²	197	156.9 Å²	156.9	92%	0.921	83%	0.828	S	S	*	*			trans	-90.3	134.3	175.8	-73.2	172.5	-31.5	0	0	108.6
3	A	32.4	Very low	34	Very low	96 Å²	96	156 Å²	156	79%	0.793	81%	0.813	S	S	*	*			trans	-121.1	94.7	166.7	0	0	0	0	0	108.1
4	N	26.1	Very low	34.2	Very low	158 Å²	158	158.9 Å²	158.9	85%	0.845	82%	0.816	S	S	*	*			trans	-84.3	121	158.9	-93.3	-14.5	0	0	0	107.4
5	T	40.4	Very low	34.4	Very low	131 Å²	131	157.9 Å²	157.9	80%	0.804	80%	0.799	S	S	*	*			trans	-147.7	114.3	158.8	12.7	0	0	0	0	110.5
6	H	35	Very low	34.3	Very low	163 Å²	163	152 Å²	152	76%	0.755	79%	0.791	S	S	*	*			trans	74.6	82.1	148.2	-109.4	-84.7	0	0	0	120	S8	H6-S8 PolarHBondContact CE1-OG 3.21Å; H6-S8 PolarHBondContact ND1-OG 3.39Å; H6-S8 PolarHBondContact O-N 2.77Å
7	L	32.1	Very low	34.6	Very low	176 Å²	176	150.2 Å²	150.2	92%	0.921	78%	0.779	S	S	*	*			trans	-73.2	96.2	143.2	-75.9	162.4	0	0	0	109
8	S	35	Very low	34.8	Very low	65 Å²	65	146.6 Å²	146.6	46%	0.455	77%	0.769	S	S	.	*			trans	-162.7	107.5	156.2	64.1	0	0	0	0	107.5	H6	H6-S8 PolarHBondContact CE1-OG 3.21Å; H6-S8 PolarHBondContact ND1-OG 3.39Å; H6-S8 PolarHBondContact O-N 2.77Å
9	N	33.7	Very low	35.2	Very low	158 Å²	158	142.7 Å²	142.7	85%	0.845	76%	0.76	S	S	*	*	S	Bend	trans	163.2	6.8	158.4	-81.5	-14.6	0	0	0	113.4
10	L	37.6	Very low	35.6	Very low	157 Å²	157	141.8 Å²	141.8	82%	0.822	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	1.6	179.2	-91.4	154.1	0	0	0	115.4
11	E	35.3	Very low	36.6	Very low	178 Å²	178	139 Å²	139	83%	0.832	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	2	-174.2	-66.7	-165.5	130.7	0	0	115.9
12	H	34.5	Very low	37.8	Very low	155 Å²	155	130.9 Å²	130.9	72%	0.718	71%	0.708	S	S	*	*			trans	-95.1	11.8	175.3	-95.5	98	0	0	0	114.9	K14	H12-K14 PolarHBondContact O-N 3.35Å
13	F	37.2	Very low	39.5	Very low	145 Å²	145	121.6 Å²	121.6	64%	0.636	67%	0.665	S	S	*	*			trans	-83.5	14.7	170.2	-107.8	-90.2	0	0	0	113.7	Y15 F77	F13-Y15 VanDerWaalsContact C-N 3.31Å; F13-Y15 PolarHBondContact O-N 3.38Å; F13-F77 HydrophobicContact CZ-CE2 4.48Å
14	K	36.7	Very low	41.4	Very low	197 Å²	197	121.6 Å²	121.6	86%	0.857	66%	0.655	S	S	*	*			trans	-90.1	60.1	163.5	-74.1	-175.7	176.6	177.2	0	110.5	H12	H12-K14 PolarHBondContact O-N 3.35Å
15	Y	38	Very low	43.6	Very low	143 Å²	143	119.2 Å²	119.2	56%	0.561	64%	0.639	S	S	*	*			trans	-88.9	101.5	154.4	-86.6	-90.5	0	0	0	106.7	F13 M17	F13-Y15 VanDerWaalsContact C-N 3.31Å; F13-Y15 PolarHBondContact O-N 3.38Å; Y15-M17 PolarHBondContact O-N 2.77Å
16	G	32.2	Very low	45	Very low	64 Å²	64	113.8 Å²	113.8	66%	0.66	61%	0.609	S	S	*	*			trans	-57.9	105	166.5	0	0	0	0	0	107.9	S18	G16-S18 PolarHBondContact O-N 3.42Å
17	M	39.4	Very low	46.9	Very low	122 Å²	122	114.1 Å²	114.1	60%	0.601	60%	0.604	S	S	*	*			trans	-66.2	80	160.5	-67.7	-171.4	-167.7	0	0	106.8	Y15 A19 W83	Y15-M17 PolarHBondContact O-N 2.77Å; M17-A19 PolarHBondContact O-N 2.73Å; M17-W83 HydrophobicContact CE-CB 4.39Å
18	S	38.9	Very low	48.6	Very low	84 Å²	84	106.3 Å²	106.3	59%	0.587	57%	0.566	S	S	*	*			trans	-62.1	117.8	156.8	57.3	0	0	0	0	105.3	G16 L20	G16-S18 PolarHBondContact O-N 3.42Å; S18-L20 PolarHBondContact O-N 3.38Å
19	A	41	Very low	50.1	Low	74 Å²	74	107.4 Å²	107.4	61%	0.612	57%	0.571	S	S	*	*			trans	-61.1	84.6	-177.9	0	0	0	0	0	110.6	M17 N21	M17-A19 PolarHBondContact O-N 2.73Å; A19-N21 PolarHBondContact O-N 3.08Å
20	L	44.6	Very low	52	Low	124 Å²	124	104.5 Å²	104.5	65%	0.649	56%	0.563	S	S	*	*			trans	-68.9	95.5	159.8	-69.7	178.7	0	0	0	105.6	S18 S22	S18-L20 PolarHBondContact O-N 3.38Å; L20-S22 VanDerWaalsContact C-N 3.25Å; L20-S22 PolarHBondContact O-N 2.98Å
21	N	57	Low	54	Low	83 Å²	83	98.6 Å²	98.6	44%	0.444	54%	0.54	S	S	.	.			trans	-78.4	-9.5	-173.3	-81.2	-26.7	0	0	0	113.3	A19	A19-N21 PolarHBondContact O-N 3.08Å
22	S	59.7	Low	56.5	Low	78 Å²	78	92.5 Å²	92.5	55%	0.545	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.5	175.6	46.3	0	0	0	0	110.5	L20	L20-S22 VanDerWaalsContact C-N 3.25Å; L20-S22 PolarHBondContact O-N 2.98Å
23	G	62.1	Low	59.2	Low	2 Å²	2	86 Å²	86	2%	0.021	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	142.6	170.9	0	0	0	0	0	110.6	S36 F37 K129 D131	G23-S36 CarbonylContact C-O 3.49Å; G23-S36 WeakPolarHBondContact CA-O 3.44Å; G23-F37 VanDerWaalsContact CA-CZ 3.46Å; G23-K129 PolarHBondContact N-O 3.02Å; G23-D131 VanDerWaalsContact O-CB 3.23Å; G23-D131 WeakPolarHBondContact O-CB 3.35Å
24	T	72.9	Confident	61.8	Low	97 Å²	97	79.1 Å²	79.1	60%	0.595	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	159.9	171.2	52.6	0	0	0	0	110.5	G26 S36	T24-G26 PolarHBondContact O-N 2.89Å; T24-S36 PolarHBondContact N-O 3.05Å; T24-S36 PolarHBondContact O-N 2.9Å
25	Q	72.3	Confident	64.6	Low	108 Å²	108	69.7 Å²	69.7	51%	0.505	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	119.9	174.4	-170.2	-177.2	19.6	0	0	109.6	V134 E137	Q25-V134 HydrophobicContact CB-CG2 3.64Å; Q25-V134 HydrophobicContact CG-CG2 4.08Å; Q25-E137 PolarHBondContact NE2-OE1 3.04Å; Q25-E137 PolarHBondContact NE2-OE2 3.18Å
26	G	69.7	Low	67.2	Low	16 Å²	16	64.4 Å²	64.4	17%	0.165	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	164.1	167.1	0	0	0	0	0	110.8	T24 C34	T24-G26 PolarHBondContact O-N 2.89Å; G26-C34 PolarHBondContact N-O 2.92Å; G26-C34 PolarHBondContact O-N 3.28Å
27	R	74.4	Confident	70.1	Confident	171 Å²	171	62.7 Å²	62.7	65%	0.645	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.4	163	-70.7	-160.1	-172	-80.4	-4.9	110.3	G31 E32	R27-G31 PolarHBondContact NH1-O 3.02Å; R27-E32 CarbonylContact C-O 3.5Å; R27-E32 WeakPolarHBondContact CA-O 3.43Å
28	G	69.4	Low	72.4	Confident	12 Å²	12	62.7 Å²	62.7	12%	0.124	37%	0.368	C	S	.	.			trans	-69.2	174.8	175.2	0	0	0	0	0	111.8	S30 G31 E32 C34	G28-S30 PolarHBondContact O-N 2.8Å; G28-G31 PolarHBondContact O-N 2.96Å; G28-E32 VanDerWaalsContact CA-OE2 3.32Å; G28-E32 WeakPolarHBondContact CA-OE2 3.25Å; G28-E32 PolarHBondContact N-O 3.11Å; G28-C34 WeakPolarHBondContact CA-SG 3.45Å; G28-C34 PolarHBondContact N-SG 2.72Å
29	P	65.3	Low	74.9	Confident	87 Å²	87	60.1 Å²	60.1	57%	0.565	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.3	-176.4	-25.4	34.6	0	0	0	114.7	W43 E52	P29-W43 HydrophobicContact CG-CH2 4.5Å; P29-E52 VanDerWaalsContact CG-OE2 3.3Å; P29-E52 WeakPolarHBondContact CG-OE2 3.29Å
30	S	73.2	Confident	77.3	Confident	98 Å²	98	57 Å²	57	69%	0.685	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	16	178.2	85	0	0	0	0	113.8	G28 E32	G28-S30 PolarHBondContact O-N 2.8Å; S30-E32 WeakPolarHBondContact CA-OE2 3.35Å; S30-E32 PolarHBondContact N-OE2 2.77Å; S30-E32 PolarHBondContact OG-OE1 2.91Å; S30-E32 PolarHBondContact OG-OE2 3.22Å
31	G	80.9	Confident	79.7	Confident	33 Å²	33	52 Å²	52	34%	0.34	30%	0.295	S	S	.	.	S	Bend	trans	95.1	7.2	177.5	0	0	0	0	0	114.7	R27 G28	R27-G31 PolarHBondContact NH1-O 3.02Å; G28-G31 PolarHBondContact O-N 2.96Å
32	E	87.1	Confident	81.6	Confident	50 Å²	50	48 Å²	48	23%	0.234	27%	0.274	C	S	.	.			trans	-58.9	151.5	177.3	-54.6	90.7	157.5	0	0	111.3	R27 G28 S30 C34 W43	R27-E32 CarbonylContact C-O 3.5Å; R27-E32 WeakPolarHBondContact CA-O 3.43Å; G28-E32 VanDerWaalsContact CA-OE2 3.32Å; G28-E32 WeakPolarHBondContact CA-OE2 3.25Å; G28-E32 PolarHBondContact N-O 3.11Å; S30-E32 WeakPolarHBondContact CA-OE2 3.35Å; S30-E32 PolarHBondContact N-OE2 2.77Å; S30-E32 PolarHBondContact OG-OE1 2.91Å; S30-E32 PolarHBondContact OG-OE2 3.22Å; E32-C34 PolarHBondContact O-N 3.47Å; E32-W43 HydrophobicContact CB-CG 4.1Å
33	I	90.3	Very high	83.4	Confident	18 Å²	18	44.9 Å²	44.9	9%	0.092	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	114.3	178.3	-60.7	178.4	0	0	0	107.7	W43 V134 E137 M138 N141	I33-W43 WeakPolarHBondContact O-CB 3.38Å; I33-V134 HydrophobicContact CG2-CG1 4.04Å; I33-E137 HydrophobicContact CD1-CB 3.61Å; I33-E137 HydrophobicContact CD1-CG 4.22Å; I33-E137 WeakPolarHBondContact CD1-OE2 3.47Å; I33-E137 HydrophobicContact CG2-CB 3.81Å; I33-E137 WeakPolarHBondContact CG2-OE2 3.19Å; I33-M138 HydrophobicContact CG2-CG 4.22Å; I33-M138 VanDerWaalsContact O-CE 3.25Å; I33-M138 WeakPolarHBondContact O-CE 3.14Å; I33-N141 WeakPolarHBondContact CD1-ND2 3.35Å; I33-N141 VanDerWaalsContact CG1-ND2 3.29Å; I33-N141 WeakPolarHBondContact CG1-ND2 3.3Å
34	C	93.5	Very high	85	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.8	-172.2	-58.8	0	0	0	0	111.6	G26 G28 E32 W42 W43	G26-C34 PolarHBondContact N-O 2.92Å; G26-C34 PolarHBondContact O-N 3.28Å; G28-C34 WeakPolarHBondContact CA-SG 3.45Å; G28-C34 PolarHBondContact N-SG 2.72Å; E32-C34 PolarHBondContact O-N 3.47Å; C34-W42 WeakPolarHBondContact CA-O 2.87Å; C34-W43 HydrophobicContact CB-CB 4.28Å; C34-W43 VanDerWaalsContact SG-CE3 3.55Å
35	A	94.8	Very high	86	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.4	162.5	0	0	0	0	0	108.8	F37 S41 W42 A130 V134 M138	A35-F37 HydrophobicContact CB-CE2 3.78Å; A35-F37 HydrophobicContact CB-CZ 4.26Å; A35-S41 VanDerWaalsContact O-CA 3.27Å; A35-S41 WeakPolarHBondContact O-CA 3.31Å; A35-W42 HydrophobicContact CB-CD2 4.34Å; A35-W42 HydrophobicContact CB-CZ2 3.99Å; A35-W42 PolarHBondContact N-O 2.88Å; A35-W42 PolarHBondContact O-N 3.01Å; A35-A130 HydrophobicContact CB-CB 3.97Å; A35-V134 HydrophobicContact CB-CG1 4.36Å; A35-M138 HydrophobicContact CB-CE 4.15Å
36	S	93	Very high	87.1	Confident	31 Å²	31	37.6 Å²	37.6	22%	0.217	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.8	-175	-67.2	0	0	0	0	112.4	G23 T24	G23-S36 CarbonylContact C-O 3.49Å; G23-S36 WeakPolarHBondContact CA-O 3.44Å; T24-S36 PolarHBondContact N-O 3.05Å; T24-S36 PolarHBondContact O-N 2.9Å
37	F	91.9	Very high	88.3	Confident	28 Å²	28	42 Å²	42	12%	0.123	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	171.3	-178.4	-58.1	-90.7	0	0	0	110	G23 A35 W39 G40 W42 W128 K129	G23-F37 VanDerWaalsContact CA-CZ 3.46Å; A35-F37 HydrophobicContact CB-CE2 3.78Å; A35-F37 HydrophobicContact CB-CZ 4.26Å; F37-W39 HydrophobicContact CB-CD2 4.37Å; F37-W39 HydrophobicContact CB-CG 4.32Å; F37-W39 HydrophobicContact CB-CZ2 4.37Å; F37-W39 AromaticContact CD2-CZ2 3.83Å; F37-W39 HydrophobicContact CD2-CZ2 3.83Å; F37-W39 HydrophobicContact CG-CZ2 4.23Å; F37-W39 AromaticContact CG-NE1 3.75Å; F37-W39 PolarHBondContact O-N 3.14Å; F37-G40 CarbonylContact C-O 3.49Å; F37-G40 WeakPolarHBondContact CA-O 3.25Å; F37-G40 PolarHBondContact N-O 2.81Å; F37-G40 PolarHBondContact O-N 3Å; F37-W42 AromaticContact CE2-CD1 3.52Å; F37-W42 AromaticContact CE2-NE1 3.36Å; F37-W42 AromaticContact CZ-NE1 3.92Å; F37-W128 HydrophobicContact CD1-CB 4.42Å; F37-W128 AromaticContact CD1-CD1 3.97Å; F37-W128 HydrophobicContact CD2-CB 4.41Å; F37-W128 HydrophobicContact CE1-CB 3.89Å; F37-W128 HydrophobicContact CE1-CG 4.41Å; F37-W128 HydrophobicContact CE2-CB 3.91Å; F37-W128 VanDerWaalsContact CZ-C 3.46Å; F37-W128 VanDerWaalsContact CZ-CA 3.42Å; F37-W128 HydrophobicContact CZ-CB 3.62Å; F37-K129 WeakPolarHBondContact CZ-O 3.32Å
38	E	88.9	Confident	89.4	Confident	123 Å²	123	36.8 Å²	36.8	58%	0.575	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-34.4	178.9	-172.6	-179.4	-179.4	0	0	113.1
39	W	90.4	Very high	90.8	Very high	30 Å²	30	36.2 Å²	36.2	11%	0.114	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-15.3	-178.4	58.8	-100.2	0	0	0	113.7	F37 V51 I53 L84 L123 W128	F37-W39 HydrophobicContact CB-CD2 4.37Å; F37-W39 HydrophobicContact CB-CG 4.32Å; F37-W39 HydrophobicContact CB-CZ2 4.37Å; F37-W39 AromaticContact CD2-CZ2 3.83Å; F37-W39 HydrophobicContact CD2-CZ2 3.83Å; F37-W39 HydrophobicContact CG-CZ2 4.23Å; F37-W39 AromaticContact CG-NE1 3.75Å; F37-W39 PolarHBondContact O-N 3.14Å; W39-V51 HydrophobicContact CH2-CG1 3.95Å; W39-V51 HydrophobicContact CZ3-CG1 3.68Å; W39-I53 HydrophobicContact CE3-CD1 3.9Å; W39-I53 HydrophobicContact CE3-CG1 3.82Å; W39-I53 HydrophobicContact CZ3-CD1 4.05Å; W39-I53 HydrophobicContact CZ3-CG1 3.87Å; W39-L84 HydrophobicContact CH2-CD1 4.34Å; W39-L123 HydrophobicContact CH2-CD2 3.66Å; W39-L123 HydrophobicContact CZ2-CD2 4.07Å; W39-W128 AromaticContact CD1-NE1 3.78Å; W39-W128 AromaticContact CE2-CE2 3.94Å; W39-W128 AromaticContact CE2-NE1 3.91Å; W39-W128 HydrophobicContact CZ2-CB 4.31Å; W39-W128 AromaticContact CZ2-CD2 3.82Å; W39-W128 HydrophobicContact CZ2-CD2 3.82Å; W39-W128 HydrophobicContact CZ2-CE3 4.21Å; W39-W128 AromaticContact CZ2-CG 3.86Å; W39-W128 HydrophobicContact CZ2-CG 3.86Å; W39-W128 AromaticContact NE1-CD1 3.24Å; W39-W128 AromaticContact NE1-CD2 3.92Å; W39-W128 AromaticContact NE1-CE2 3.48Å; W39-W128 AromaticContact NE1-CG 3.79Å; W39-W128 AromaticContact NE1-NE1 3.03Å
40	G	93.1	Very high	92.3	Very high	8 Å²	8	33.9 Å²	33.9	8%	0.082	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.2	-157.5	-169.9	0	0	0	0	0	112.5	F37 E52	F37-G40 CarbonylContact C-O 3.49Å; F37-G40 WeakPolarHBondContact CA-O 3.25Å; F37-G40 PolarHBondContact N-O 2.81Å; F37-G40 PolarHBondContact O-N 3Å; G40-E52 CarbonylContact C-O 3.58Å; G40-E52 VanDerWaalsContact CA-O 3.25Å; G40-E52 WeakPolarHBondContact CA-O 3.29Å
41	S	94.9	Very high	93.4	Very high	19 Å²	19	29.2 Å²	29.2	13%	0.133	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	157.4	-176.1	51.3	0	0	0	0	111.5	A35 E52	A35-S41 VanDerWaalsContact O-CA 3.27Å; A35-S41 WeakPolarHBondContact O-CA 3.31Å; S41-E52 PolarHBondContact N-O 2.86Å; S41-E52 PolarHBondContact O-N 2.77Å
42	W	96.7	Very high	94.1	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.5	169.9	70	-88.9	0	0	0	111.1	C34 A35 F37 V49 F50 V51 W120 L123 W128 A130 M138	C34-W42 WeakPolarHBondContact CA-O 2.87Å; A35-W42 HydrophobicContact CB-CD2 4.34Å; A35-W42 HydrophobicContact CB-CZ2 3.99Å; A35-W42 PolarHBondContact N-O 2.88Å; A35-W42 PolarHBondContact O-N 3.01Å; F37-W42 AromaticContact CE2-CD1 3.52Å; F37-W42 AromaticContact CE2-NE1 3.36Å; F37-W42 AromaticContact CZ-NE1 3.92Å; W42-V49 HydrophobicContact CE3-CG1 4.24Å; W42-F50 CarbonylContact C-O 3.5Å; W42-F50 WeakPolarHBondContact CA-O 3.22Å; W42-F50 VanDerWaalsContact CB-O 3.22Å; W42-F50 WeakPolarHBondContact CB-O 3.19Å; W42-V51 HydrophobicContact CB-CG2 4.29Å; W42-W120 HydrophobicContact CH2-CB 4.38Å; W42-W120 WeakPolarHBondContact CH2-O 3.42Å; W42-W120 HydrophobicContact CZ3-CB 4.15Å; W42-L123 HydrophobicContact CB-CD1 4.46Å; W42-L123 HydrophobicContact CB-CD2 4.2Å; W42-L123 HydrophobicContact CD2-CB 4.02Å; W42-L123 HydrophobicContact CG-CB 3.89Å; W42-L123 HydrophobicContact CG-CD1 4.5Å; W42-L123 HydrophobicContact CG-CD2 4.23Å; W42-L123 HydrophobicContact CG-CG 4.45Å; W42-W128 PolarHBondContact NE1-O 3.06Å; W42-W128 VanDerWaalsContact NE1-O 3.13Å; W42-A130 HydrophobicContact CH2-CB 4.35Å; W42-A130 HydrophobicContact CZ2-CB 4.01Å; W42-M138 HydrophobicContact CE3-CE 4.49Å; W42-M138 HydrophobicContact CH2-CE 4.28Å; W42-M138 HydrophobicContact CH2-SD 4.04Å; W42-M138 HydrophobicContact CZ3-CE 4.16Å; W42-M138 HydrophobicContact CZ3-SD 4.1Å
43	W	96.5	Very high	94.5	Very high	11 Å²	11	27 Å²	27	4%	0.042	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	179.6	175.2	64	101.3	0	0	0	109.8	P29 E32 I33 C34 V49 F50 E52	P29-W43 HydrophobicContact CG-CH2 4.5Å; E32-W43 HydrophobicContact CB-CG 4.1Å; I33-W43 WeakPolarHBondContact O-CB 3.38Å; C34-W43 HydrophobicContact CB-CB 4.28Å; C34-W43 VanDerWaalsContact SG-CE3 3.55Å; W43-V49 WeakPolarHBondContact O-CA 3.43Å; W43-F50 AromaticContact CD1-CD2 3.77Å; W43-F50 HydrophobicContact CD2-CB 3.58Å; W43-F50 HydrophobicContact CD2-CG 4.42Å; W43-F50 AromaticContact CE2-CG 3.68Å; W43-F50 HydrophobicContact CE3-CB 4.08Å; W43-F50 HydrophobicContact CG-CB 4.09Å; W43-F50 HydrophobicContact CH2-CB 3.97Å; W43-F50 HydrophobicContact CZ2-CB 3.45Å; W43-F50 VanDerWaalsContact CZ2-CB 3.45Å; W43-F50 HydrophobicContact CZ2-CD1 4.28Å; W43-F50 AromaticContact CZ2-CG 3.89Å; W43-F50 HydrophobicContact CZ2-CG 3.89Å; W43-F50 HydrophobicContact CZ3-CB 4.25Å; W43-F50 PolarHBondContact N-O 3.04Å; W43-F50 AromaticContact NE1-CD2 3.39Å; W43-F50 AromaticContact NE1-CG 3.54Å; W43-F50 PolarHBondContact O-N 3.21Å; W43-E52 HydrophobicContact CH2-CB 3.81Å; W43-E52 WeakPolarHBondContact CH2-OE2 3.46Å; W43-E52 HydrophobicContact CZ3-CB 3.56Å
44	Q	96.2	Very high	94.7	Very high	14 Å²	14	30 Å²	30	7%	0.065	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	153.8	-174.4	61.3	-176	-45.3	0	0	112.6	E48 V49 C119 W120 M138 L142	Q44-E48 CarbonylContact C-O 3.51Å; Q44-E48 VanDerWaalsContact CA-O 3.27Å; Q44-E48 WeakPolarHBondContact CA-O 3.2Å; Q44-E48 WeakPolarHBondContact CB-O 3.41Å; Q44-V49 HydrophobicContact CB-CG2 4.27Å; Q44-C119 PolarHBondContact NE2-SG 3.47Å; Q44-W120 PolarHBondContact NE2-O 2.78Å; Q44-M138 HydrophobicContact CG-SD 4.34Å; Q44-M138 PolarHBondContact NE2-SD 2.97Å; Q44-M138 VanDerWaalsContact NE2-SD 3.4Å; Q44-L142 HydrophobicContact CG-CD1 4.3Å; Q44-L142 HydrophobicContact CG-CD2 4.35Å
45	T	94.5	Very high	94.7	Very high	30 Å²	30	31.1 Å²	31.1	18%	0.184	16%	0.16	C	C	.	.			trans	-112.6	-178.5	164.2	66.5	0	0	0	0	108.8	Q47 E48 F50 K113 L142 Q145	T45-Q47 PolarHBondContact O-N 2.85Å; T45-Q47 PolarHBondContact OG1-N 2.9Å; T45-E48 PolarHBondContact N-O 3.41Å; T45-E48 WeakPolarHBondContact OG1-CB 3.33Å; T45-E48 PolarHBondContact OG1-N 2.84Å; T45-F50 HydrophobicContact CG2-CE2 3.96Å; T45-K113 PolarHBondContact O-NZ 3.01Å; T45-L142 VanDerWaalsContact O-CD2 3.24Å; T45-L142 WeakPolarHBondContact O-CD2 3.37Å; T45-Q145 VanDerWaalsContact CA-OE1 3.25Å; T45-Q145 VanDerWaalsContact CB-OE1 3.3Å
46	T	93.9	Very high	94.5	Very high	11 Å²	11	41.5 Å²	41.5	7%	0.067	20%	0.199	C	C	.	.	S	Bend	trans	-58.6	-29.4	173.1	51.2	0	0	0	0	111.9	P116 G117 L142 Q145 R146	T46-P116 CarbonylContact O-C 3.49Å; T46-P116 VanDerWaalsContact O-CA 3.29Å; T46-P116 WeakPolarHBondContact O-CA 3.14Å; T46-G117 PolarHBondContact O-N 3.26Å; T46-L142 HydrophobicContact CG2-CB 4.45Å; T46-L142 HydrophobicContact CG2-CD2 4.1Å; T46-L142 WeakPolarHBondContact CG2-O 3.42Å; T46-L142 VanDerWaalsContact N-CD2 3.25Å; T46-Q145 HydrophobicContact CG2-CB 3.74Å; T46-R146 HydrophobicContact CG2-CB 4.26Å
47	Q	95.7	Very high	94.5	Very high	109 Å²	109	45 Å²	45	51%	0.509	21%	0.212	S	C	.	.	S	Bend	trans	-106.4	-26.5	-173.5	-62.9	-177	64.7	0	0	113.6	T45 K113	T45-Q47 PolarHBondContact O-N 2.85Å; T45-Q47 PolarHBondContact OG1-N 2.9Å; Q47-K113 VanDerWaalsContact O-CB 3.3Å; Q47-K113 WeakPolarHBondContact O-CB 3.3Å; Q47-K113 WeakPolarHBondContact O-CG 3.47Å; Q47-K113 PolarHBondContact O-N 2.73Å
48	E	97.4	Very high	94.6	Very high	60 Å²	60	49 Å²	49	28%	0.28	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156.4	-163.7	-58.4	167.3	135.7	0	0	111.8	Q44 T45 F50 C110 L111 I112 K113	Q44-E48 CarbonylContact C-O 3.51Å; Q44-E48 VanDerWaalsContact CA-O 3.27Å; Q44-E48 WeakPolarHBondContact CA-O 3.2Å; Q44-E48 WeakPolarHBondContact CB-O 3.41Å; T45-E48 PolarHBondContact N-O 3.41Å; T45-E48 WeakPolarHBondContact OG1-CB 3.33Å; T45-E48 PolarHBondContact OG1-N 2.84Å; E48-F50 HydrophobicContact CB-CD2 4.36Å; E48-F50 HydrophobicContact CB-CE2 3.7Å; E48-F50 HydrophobicContact CB-CZ 4.03Å; E48-F50 WeakPolarHBondContact OE2-CZ 3.48Å; E48-C110 PolarHBondContact OE1-SG 2.9Å; E48-C110 VanDerWaalsContact OE1-SG 3.41Å; E48-L111 CarbonylContact C-O 3.43Å; E48-L111 WeakPolarHBondContact CA-O 3.43Å; E48-I112 HydrophobicContact CG-CD1 3.77Å; E48-K113 WeakPolarHBondContact O-CE 3.14Å
49	V	97.9	Very high	94.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.9	165.5	-179.2	0	0	0	0	107.9	W42 W43 Q44 L111 K113 W120 L123	W42-V49 HydrophobicContact CE3-CG1 4.24Å; W43-V49 WeakPolarHBondContact O-CA 3.43Å; Q44-V49 HydrophobicContact CB-CG2 4.27Å; V49-L111 HydrophobicContact CB-CB 4.23Å; V49-L111 HydrophobicContact CB-CD1 4.43Å; V49-L111 HydrophobicContact CG1-CD1 4.47Å; V49-L111 PolarHBondContact N-O 3.04Å; V49-L111 WeakPolarHBondContact O-CB 3.5Å; V49-L111 PolarHBondContact O-N 2.92Å; V49-K113 HydrophobicContact CG2-CD 4.36Å; V49-K113 HydrophobicContact CG2-CG 4.09Å; V49-W120 HydrophobicContact CG1-CE3 4.18Å; V49-W120 HydrophobicContact CG1-CZ3 4.34Å; V49-W120 HydrophobicContact CG2-CD2 3.6Å; V49-W120 HydrophobicContact CG2-CE3 3.83Å; V49-W120 HydrophobicContact CG2-CG 4.03Å; V49-W120 HydrophobicContact CG2-CH2 4.28Å; V49-W120 HydrophobicContact CG2-CZ2 4.1Å; V49-W120 HydrophobicContact CG2-CZ3 4.16Å; V49-L123 HydrophobicContact CG1-CD1 4.04Å
50	F	97.6	Very high	95.1	Very high	39 Å²	39	44.9 Å²	44.9	17%	0.171	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	139.5	178.9	-66.3	-87.7	0	0	0	110.1	W42 W43 T45 E48 M109 C110	W42-F50 CarbonylContact C-O 3.5Å; W42-F50 WeakPolarHBondContact CA-O 3.22Å; W42-F50 VanDerWaalsContact CB-O 3.22Å; W42-F50 WeakPolarHBondContact CB-O 3.19Å; W43-F50 AromaticContact CD1-CD2 3.77Å; W43-F50 HydrophobicContact CD2-CB 3.58Å; W43-F50 HydrophobicContact CD2-CG 4.42Å; W43-F50 AromaticContact CE2-CG 3.68Å; W43-F50 HydrophobicContact CE3-CB 4.08Å; W43-F50 HydrophobicContact CG-CB 4.09Å; W43-F50 HydrophobicContact CH2-CB 3.97Å; W43-F50 HydrophobicContact CZ2-CB 3.45Å; W43-F50 VanDerWaalsContact CZ2-CB 3.45Å; W43-F50 HydrophobicContact CZ2-CD1 4.28Å; W43-F50 AromaticContact CZ2-CG 3.89Å; W43-F50 HydrophobicContact CZ2-CG 3.89Å; W43-F50 HydrophobicContact CZ3-CB 4.25Å; W43-F50 PolarHBondContact N-O 3.04Å; W43-F50 AromaticContact NE1-CD2 3.39Å; W43-F50 AromaticContact NE1-CG 3.54Å; W43-F50 PolarHBondContact O-N 3.21Å; T45-F50 HydrophobicContact CG2-CE2 3.96Å; E48-F50 HydrophobicContact CB-CD2 4.36Å; E48-F50 HydrophobicContact CB-CE2 3.7Å; E48-F50 HydrophobicContact CB-CZ 4.03Å; E48-F50 WeakPolarHBondContact OE2-CZ 3.48Å; F50-M109 VanDerWaalsContact CA-O 3.28Å; F50-M109 WeakPolarHBondContact CA-O 3.21Å; F50-C110 HydrophobicContact CD1-CB 4.16Å; F50-C110 HydrophobicContact CE1-CB 3.91Å
51	V	96.8	Very high	95.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.1	174.7	-173.6	0	0	0	0	108.4	W39 W42 I53 V108 M109 L111 L123	W39-V51 HydrophobicContact CH2-CG1 3.95Å; W39-V51 HydrophobicContact CZ3-CG1 3.68Å; W42-V51 HydrophobicContact CB-CG2 4.29Å; V51-I53 HydrophobicContact CG1-CD1 4.35Å; V51-I53 HydrophobicContact CG1-CG1 4.29Å; V51-V108 CarbonylContact O-C 3.56Å; V51-V108 WeakPolarHBondContact O-CA 3.37Å; V51-M109 HydrophobicContact CB-CB 4.06Å; V51-M109 HydrophobicContact CB-CG 4.23Å; V51-M109 HydrophobicContact CB-SD 4.24Å; V51-M109 PolarHBondContact N-O 2.82Å; V51-M109 PolarHBondContact O-N 2.89Å; V51-L111 HydrophobicContact CG2-CD1 4.28Å; V51-L123 HydrophobicContact CG1-CD2 4.1Å; V51-L123 HydrophobicContact CG2-CD1 3.59Å; V51-L123 HydrophobicContact CG2-CD2 3.85Å; V51-L123 HydrophobicContact CG2-CG 4.4Å
52	E	95.7	Very high	95.3	Very high	28 Å²	28	55.9 Å²	55.9	13%	0.131	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.7	179.6	179.7	167.5	157.7	0	0	110.7	P29 G40 S41 W43 R106 M107	P29-E52 VanDerWaalsContact CG-OE2 3.3Å; P29-E52 WeakPolarHBondContact CG-OE2 3.29Å; G40-E52 CarbonylContact C-O 3.58Å; G40-E52 VanDerWaalsContact CA-O 3.25Å; G40-E52 WeakPolarHBondContact CA-O 3.29Å; S41-E52 PolarHBondContact N-O 2.86Å; S41-E52 PolarHBondContact O-N 2.77Å; W43-E52 HydrophobicContact CH2-CB 3.81Å; W43-E52 WeakPolarHBondContact CH2-OE2 3.46Å; W43-E52 HydrophobicContact CZ3-CB 3.56Å; E52-R106 HydrophobicContact CG-CG 3.84Å; E52-R106 WeakPolarHBondContact OE1-CD 3.36Å; E52-R106 IonicContact OE1-CZ 3.81Å; E52-R106 IonicContact OE1-NE 3.45Å; E52-R106 IonicContact OE1-NH1 2.76Å; E52-R106 PolarHBondContact OE1-NH1 3.41Å; E52-R106 IonicContact OE2-NH1 3.51Å; E52-M107 WeakPolarHBondContact CA-O 3.45Å
53	I	94.9	Very high	95.2	Very high	8 Å²	8	60 Å²	60	4%	0.041	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	108.3	-177.1	-60.7	-173.5	0	0	0	109.3	W39 V51 F55 W83 R106 M107	W39-I53 HydrophobicContact CE3-CD1 3.9Å; W39-I53 HydrophobicContact CE3-CG1 3.82Å; W39-I53 HydrophobicContact CZ3-CD1 4.05Å; W39-I53 HydrophobicContact CZ3-CG1 3.87Å; V51-I53 HydrophobicContact CG1-CD1 4.35Å; V51-I53 HydrophobicContact CG1-CG1 4.29Å; I53-F55 HydrophobicContact CG2-CD1 4.41Å; I53-F55 HydrophobicContact CG2-CE1 3.85Å; I53-F55 HydrophobicContact CG2-CZ 4.22Å; I53-W83 HydrophobicContact CD1-CD2 3.89Å; I53-W83 HydrophobicContact CD1-CE3 3.03Å; I53-W83 HydrophobicContact CD1-CH2 3.44Å; I53-W83 VanDerWaalsContact CD1-CH2 3.44Å; I53-W83 HydrophobicContact CD1-CZ2 4.19Å; I53-W83 HydrophobicContact CD1-CZ3 2.83Å; I53-W83 HydrophobicContact CG1-CE3 4.47Å; I53-W83 HydrophobicContact CG1-CZ3 4.27Å; I53-R106 CarbonylContact O-C 3.48Å; I53-R106 WeakPolarHBondContact O-CA 3.27Å; I53-M107 HydrophobicContact CB-CB 4.39Å; I53-M107 PolarHBondContact N-O 3.46Å; I53-M107 PolarHBondContact O-N 2.96Å
54	P	94.5	Very high	95.2	Very high	80 Å²	80	60 Å²	60	52%	0.519	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	141.7	174.4	31.5	-33.1	0	0	0	110.7
55	F	94.1	Very high	95.2	Very high	24 Å²	24	63.3 Å²	63.3	11%	0.105	31%	0.308	C	S	.	.			trans	-110.5	132.4	171.1	-57.8	-57.8	0	0	0	109.6	I53 Q57 V59 I64 F77 L101 K105 M107	I53-F55 HydrophobicContact CG2-CD1 4.41Å; I53-F55 HydrophobicContact CG2-CE1 3.85Å; I53-F55 HydrophobicContact CG2-CZ 4.22Å; F55-Q57 WeakPolarHBondContact CB-O 3.41Å; F55-Q57 PolarHBondContact O-N 2.94Å; F55-V59 HydrophobicContact CB-CG2 3.87Å; F55-V59 HydrophobicContact CD1-CG2 4.26Å; F55-V59 HydrophobicContact CD2-CB 4.13Å; F55-V59 HydrophobicContact CD2-CG2 3.79Å; F55-V59 HydrophobicContact CE2-CG2 4.39Å; F55-V59 HydrophobicContact CG-CG2 3.71Å; F55-I64 HydrophobicContact CE2-CD1 4.08Å; F55-I64 HydrophobicContact CZ-CD1 4.18Å; F55-F77 AromaticContact CD1-CZ 3.88Å; F55-F77 HydrophobicContact CD1-CZ 3.88Å; F55-F77 HydrophobicContact CE1-CE1 4.33Å; F55-F77 AromaticContact CE1-CZ 3.82Å; F55-F77 HydrophobicContact CE1-CZ 3.82Å; F55-L101 HydrophobicContact CD2-CD1 3.95Å; F55-L101 HydrophobicContact CE2-CD1 3.62Å; F55-K105 PolarHBondContact N-O 3.2Å; F55-M107 HydrophobicContact CE2-CB 3.75Å; F55-M107 HydrophobicContact CZ-CB 3.89Å
56	R	90.9	Very high	95.3	Very high	218 Å²	218	63 Å²	63	82%	0.823	31%	0.307	S	S	*	.	S	Bend	trans	-69	-23.9	175.5	-63.8	-176.4	-177.9	168.4	3.1	112.5
57	Q	91.7	Very high	95.5	Very high	105 Å²	105	69.2 Å²	69.2	49%	0.491	33%	0.333	S	S	.	.	S	Bend	trans	-115	162.6	-178.8	67.4	-175	3.7	0	0	111.4	F55 V59	F55-Q57 WeakPolarHBondContact CB-O 3.41Å; F55-Q57 PolarHBondContact O-N 2.94Å; Q57-V59 HydrophobicContact CG-CG2 4.09Å; Q57-V59 PolarHBondContact O-N 2.72Å
58	I	94.7	Very high	95.6	Very high	113 Å²	113	65.6 Å²	65.6	58%	0.579	32%	0.317	S	S	*	.			trans	-68.7	125.3	167.3	-66	178.1	0	0	0	108	K104 K105	I58-K104 CarbonylContact C-O 3.56Å; I58-K104 WeakPolarHBondContact CA-O 3.47Å; I58-K104 HydrophobicContact CB-CB 4.48Å; I58-K104 HydrophobicContact CG2-CB 3.64Å; I58-K104 HydrophobicContact CG2-CD 3.54Å; I58-K104 HydrophobicContact CG2-CG 4.24Å; I58-K105 HydrophobicContact CG1-CG 4.47Å
59	V	94.5	Very high	95.6	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.315	C	S	.	.			trans	-113.8	137.9	179.9	173.2	0	0	0	0	108.9	F55 Q57 Q63 I64 F77 L101 K104	F55-V59 HydrophobicContact CB-CG2 3.87Å; F55-V59 HydrophobicContact CD1-CG2 4.26Å; F55-V59 HydrophobicContact CD2-CB 4.13Å; F55-V59 HydrophobicContact CD2-CG2 3.79Å; F55-V59 HydrophobicContact CE2-CG2 4.39Å; F55-V59 HydrophobicContact CG-CG2 3.71Å; Q57-V59 HydrophobicContact CG-CG2 4.09Å; Q57-V59 PolarHBondContact O-N 2.72Å; V59-Q63 HydrophobicContact CG1-CB 4.42Å; V59-I64 HydrophobicContact CG1-CD1 3.8Å; V59-I64 HydrophobicContact CG1-CG1 3.82Å; V59-F77 HydrophobicContact CB-CE1 4.44Å; V59-F77 HydrophobicContact CG1-CE1 3.72Å; V59-F77 HydrophobicContact CG2-CE1 3.78Å; V59-F77 HydrophobicContact CG2-CZ 3.88Å; V59-L101 HydrophobicContact CB-CD2 4.45Å; V59-L101 HydrophobicContact CG1-CD2 4.26Å; V59-L101 VanDerWaalsContact O-CD2 3.3Å; V59-L101 WeakPolarHBondContact O-CD2 3.26Å; V59-K104 PolarHBondContact N-O 2.89Å; V59-K104 VanDerWaalsContact O-CB 3.25Å; V59-K104 WeakPolarHBondContact O-CB 3.27Å
60	D	95.3	Very high	95.6	Very high	66 Å²	66	68.9 Å²	68.9	35%	0.353	34%	0.338	S	S	.	.			trans	-90.2	143.2	166.6	-164.9	-76.6	0	0	0	110.2	K62 Q63	D60-K62 PolarHBondContact O-N 2.9Å; D60-K62 VanDerWaalsContact O-N 3.11Å; D60-K62 WeakPolarHBondContact OD1-CB 3.4Å; D60-K62 VanDerWaalsContact OD1-CG 3.31Å; D60-K62 WeakPolarHBondContact OD1-CG 3.44Å; D60-K62 PolarHBondContact OD1-N 2.93Å; D60-Q63 HydrophobicContact CB-CG 4.27Å; D60-Q63 WeakPolarHBondContact O-CB 3.12Å; D60-Q63 PolarHBondContact O-N 3.27Å
61	V	95.1	Very high	95.6	Very high	77 Å²	77	69.5 Å²	69.5	47%	0.467	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-53	-34.9	177.6	179	0	0	0	0	111.3	Q63 I64 W99 L101	V61-Q63 PolarHBondContact O-N 3.23Å; V61-I64 PolarHBondContact O-N 2.99Å; V61-W99 HydrophobicContact CG1-CH2 3.78Å; V61-W99 HydrophobicContact CG1-CZ3 4.25Å; V61-L101 HydrophobicContact CG2-CB 3.95Å; V61-L101 HydrophobicContact CG2-CD2 3.67Å; V61-L101 HydrophobicContact CG2-CG 4.44Å
62	K	96.2	Very high	95.7	Very high	180 Å²	180	71.5 Å²	71.5	78%	0.783	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-63.9	-19.6	178.6	-64.3	173.5	-176.5	177.8	0	113.8	D60 I64	D60-K62 PolarHBondContact O-N 2.9Å; D60-K62 VanDerWaalsContact O-N 3.11Å; D60-K62 WeakPolarHBondContact OD1-CB 3.4Å; D60-K62 VanDerWaalsContact OD1-CG 3.31Å; D60-K62 WeakPolarHBondContact OD1-CG 3.44Å; D60-K62 PolarHBondContact OD1-N 2.93Å; K62-I64 VanDerWaalsContact C-N 3.34Å
63	Q	95.7	Very high	95.8	Very high	87 Å²	87	70.1 Å²	70.1	41%	0.407	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-84.1	-12.2	177.4	-59.7	177.6	-75.5	0	0	112.1	V59 D60 V61 F77 V78	V59-Q63 HydrophobicContact CG1-CB 4.42Å; D60-Q63 HydrophobicContact CB-CG 4.27Å; D60-Q63 WeakPolarHBondContact O-CB 3.12Å; D60-Q63 PolarHBondContact O-N 3.27Å; V61-Q63 PolarHBondContact O-N 3.23Å; Q63-F77 HydrophobicContact CB-CD1 4.26Å; Q63-F77 CarbonylContact O-C 3.55Å; Q63-F77 WeakPolarHBondContact O-CA 3.1Å; Q63-V78 PolarHBondContact O-N 2.85Å
64	I	96.3	Very high	95.8	Very high	12 Å²	12	72.3 Å²	72.3	6%	0.062	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.7	-177.4	-60.8	172.6	0	0	0	109.4	F55 V59 V61 K62 C66 G76 F77 W99 L101 M107	F55-I64 HydrophobicContact CE2-CD1 4.08Å; F55-I64 HydrophobicContact CZ-CD1 4.18Å; V59-I64 HydrophobicContact CG1-CD1 3.8Å; V59-I64 HydrophobicContact CG1-CG1 3.82Å; V61-I64 PolarHBondContact O-N 2.99Å; K62-I64 VanDerWaalsContact C-N 3.34Å; I64-C66 HydrophobicContact CG2-CB 4.27Å; I64-G76 WeakPolarHBondContact CA-O 3.39Å; I64-F77 HydrophobicContact CG1-CE1 4.45Å; I64-W99 HydrophobicContact CB-CH2 4.24Å; I64-W99 HydrophobicContact CB-CZ3 4.49Å; I64-W99 HydrophobicContact CD1-CZ3 4.35Å; I64-W99 HydrophobicContact CG2-CH2 4.04Å; I64-W99 HydrophobicContact CG2-CZ3 4.17Å; I64-L101 HydrophobicContact CD1-CD1 4.01Å; I64-L101 HydrophobicContact CD1-CD2 4.2Å; I64-M107 HydrophobicContact CD1-SD 4.3Å; I64-M107 HydrophobicContact CG2-CE 4.29Å; I64-M107 HydrophobicContact CG2-SD 4.05Å
65	V	96.2	Very high	95.9	Very high	82 Å²	82	68.5 Å²	68.5	50%	0.497	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.5	162.5	-180	0	0	0	0	106.8	C75 G76 V78	V65-C75 CarbonylContact O-C 3.51Å; V65-C75 WeakPolarHBondContact O-CA 3.28Å; V65-G76 PolarHBondContact N-O 2.57Å; V65-G76 PolarHBondContact O-N 3.28Å; V65-V78 HydrophobicContact CG2-CB 4.34Å; V65-V78 HydrophobicContact CG2-CG2 3.52Å
66	C	96.6	Very high	96	Very high	23 Å²	23	67.6 Å²	67.6	16%	0.155	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	117.3	175.6	-169.7	0	0	0	0	110.3	I64 T74 C75 W99 M107	I64-C66 HydrophobicContact CG2-CB 4.27Å; C66-T74 WeakPolarHBondContact CA-O 3.28Å; C66-C75 WeakPolarHBondContact CA-SG 3.32Å; C66-C75 HydrophobicContact CB-CB 3.7Å; C66-C75 WeakPolarHBondContact CB-SG 3.22Å; C66-C75 WeakPolarHBondContact SG-CB 3.34Å; C66-C75 CovalentContact SG-SG 2.04Å; C66-C75 PolarHBondContact SG-SG 2.92Å; C66-W99 HydrophobicContact CB-CD2 4.25Å; C66-W99 HydrophobicContact CB-CG 4.3Å; C66-W99 HydrophobicContact CB-CZ2 4.3Å; C66-M107 HydrophobicContact CB-CE 3.82Å; C66-M107 WeakPolarHBondContact SG-CE 3.24Å
67	K	97	Very high	96.2	Very high	142 Å²	142	58.5 Å²	58.5	62%	0.617	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.8	178.9	-176.3	177.8	-179.8	179.6	0	108.7	T69 I73 T74	K67-T69 HydrophobicContact CG-CG2 4.49Å; K67-I73 CarbonylContact O-C 3.52Å; K67-I73 WeakPolarHBondContact O-CA 3.23Å; K67-T74 PolarHBondContact N-O 2.78Å; K67-T74 PolarHBondContact O-N 2.82Å
68	I	97.8	Very high	96.4	Very high	33 Å²	33	57.7 Å²	57.7	17%	0.169	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.3	177.7	-58.1	174.6	0	0	0	107.3	I73 I92 A94 L111	I68-I73 HydrophobicContact CG1-CD1 4.4Å; I68-I73 HydrophobicContact CG1-CG1 4.3Å; I68-I73 HydrophobicContact CG1-CG2 4.37Å; I68-I73 HydrophobicContact CG2-CD1 4.48Å; I68-I73 HydrophobicContact CG2-CG1 4.27Å; I68-I92 HydrophobicContact CG2-CD1 3.48Å; I68-I92 VanDerWaalsContact CG2-CD1 3.48Å; I68-A94 HydrophobicContact CG2-CB 4.36Å; I68-L111 HydrophobicContact CD1-CD2 4.07Å; I68-L111 HydrophobicContact CG2-CD2 4.27Å
69	T	98.3	Very high	96.4	Very high	41 Å²	41	56.5 Å²	56.5	25%	0.252	32%	0.323	S	S	.	.			trans	-122	175.9	171.1	77.9	0	0	0	0	109.3	K67 S71 T72 I92 A94	K67-T69 HydrophobicContact CG-CG2 4.49Å; T69-S71 PolarHBondContact O-N 3.4Å; T69-S71 PolarHBondContact OG1-N 2.88Å; T69-T72 PolarHBondContact N-O 3.18Å; T69-T72 PolarHBondContact OG1-N 2.99Å; T69-T72 PolarHBondContact OG1-O 3.08Å; T69-T72 PolarHBondContact OG1-OG1 3.36Å; T69-I92 WeakPolarHBondContact O-CD1 3.25Å; T69-I92 WeakPolarHBondContact O-CG1 3.44Å; T69-A94 VanDerWaalsContact C-CB 3.49Å
70	N	98.1	Very high	96.4	Very high	89 Å²	89	60.8 Å²	60.8	48%	0.476	34%	0.343	S	S	.	.	S	Bend	trans	-61.9	-17.5	-178.3	-71.2	3.5	0	0	0	113.5	L91 I92 A94	N70-L91 CarbonylContact O-C 3.57Å; N70-L91 VanDerWaalsContact O-CA 3.26Å; N70-L91 WeakPolarHBondContact O-CA 3.41Å; N70-L91 WeakPolarHBondContact O-CD2 3.47Å; N70-I92 WeakPolarHBondContact CA-O 2.97Å; N70-I92 WeakPolarHBondContact CB-O 3.31Å; N70-I92 PolarHBondContact O-N 3.13Å; N70-I92 PolarHBondContact OD1-O 3.34Å; N70-A94 WeakPolarHBondContact OD1-CB 3.33Å; N70-A94 PolarHBondContact OD1-N 2.96Å; N70-A94 VanDerWaalsContact OD1-N 3.11Å
71	S	98	Very high	96.3	Very high	51 Å²	51	65.8 Å²	65.8	36%	0.357	37%	0.365	S	S	.	.	S	Bend	trans	-135.5	-7.2	-176.5	59.3	0	0	0	0	114.6	T69 N87 L88	T69-S71 PolarHBondContact O-N 3.4Å; T69-S71 PolarHBondContact OG1-N 2.88Å; S71-N87 CarbonylContact O-C 3.53Å; S71-N87 WeakPolarHBondContact O-CA 3.48Å; S71-L88 PolarHBondContact O-N 2.99Å
72	T	97.9	Very high	96.2	Very high	42 Å²	42	64 Å²	64	26%	0.258	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151	-176.1	67	0	0	0	0	112.1	T69 G86 N87	T69-T72 PolarHBondContact N-O 3.18Å; T69-T72 PolarHBondContact OG1-N 2.99Å; T69-T72 PolarHBondContact OG1-O 3.08Å; T69-T72 PolarHBondContact OG1-OG1 3.36Å; T72-G86 WeakPolarHBondContact CA-O 3.49Å; T72-G86 WeakPolarHBondContact CB-O 3.48Å; T72-N87 WeakPolarHBondContact CG2-OD1 3.34Å
73	I	97.3	Very high	96	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.4	167.7	-61.1	-174.5	0	0	0	108.7	K67 I68 C75 L84 S85 G86 L88 M109 L111	K67-I73 CarbonylContact O-C 3.52Å; K67-I73 WeakPolarHBondContact O-CA 3.23Å; I68-I73 HydrophobicContact CG1-CD1 4.4Å; I68-I73 HydrophobicContact CG1-CG1 4.3Å; I68-I73 HydrophobicContact CG1-CG2 4.37Å; I68-I73 HydrophobicContact CG2-CD1 4.48Å; I68-I73 HydrophobicContact CG2-CG1 4.27Å; I73-C75 HydrophobicContact CG2-CB 4.41Å; I73-C75 WeakPolarHBondContact CG2-SG 3.2Å; I73-L84 HydrophobicContact CB-CD2 4.06Å; I73-L84 HydrophobicContact CD1-CD2 4.44Å; I73-L84 HydrophobicContact CG2-CD2 3.5Å; I73-L84 HydrophobicContact CG2-CG 4.49Å; I73-S85 VanDerWaalsContact O-CA 3.26Å; I73-S85 WeakPolarHBondContact O-CA 3.47Å; I73-G86 PolarHBondContact N-O 3.01Å; I73-G86 PolarHBondContact O-N 2.86Å; I73-G86 VanDerWaalsContact O-N 3.08Å; I73-L88 HydrophobicContact CD1-CD1 4.21Å; I73-L88 HydrophobicContact CD1-CD2 3.71Å; I73-L88 HydrophobicContact CD1-CG 4.37Å; I73-L88 HydrophobicContact CG1-CD1 3.97Å; I73-L88 HydrophobicContact CG1-CD2 3.89Å; I73-L88 HydrophobicContact CG1-CG 4.09Å; I73-M109 HydrophobicContact CD1-SD 4.16Å; I73-M109 HydrophobicContact CG2-CE 4.44Å; I73-M109 HydrophobicContact CG2-SD 4.37Å; I73-L111 HydrophobicContact CD1-CD1 3.51Å; I73-L111 HydrophobicContact CD1-CD2 3.58Å; I73-L111 HydrophobicContact CD1-CG 4.18Å
74	T	96.2	Very high	95.8	Very high	53 Å²	53	52.6 Å²	52.6	33%	0.325	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	112.1	165	-65.7	0	0	0	0	109	C66 K67 P82 L84 S85	C66-T74 WeakPolarHBondContact CA-O 3.28Å; K67-T74 PolarHBondContact N-O 2.78Å; K67-T74 PolarHBondContact O-N 2.82Å; T74-P82 HydrophobicContact CG2-CB 4.08Å; T74-P82 HydrophobicContact CG2-CG 3.83Å; T74-L84 CarbonylContact C-O 3.6Å; T74-L84 VanDerWaalsContact CA-O 3.28Å; T74-L84 WeakPolarHBondContact CA-O 3.23Å; T74-S85 PolarHBondContact OG1-OG 3.49Å; T74-S85 VanDerWaalsContact OG1-OG 3.08Å
75	C	95.6	Very high	95.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.2	-178.2	-51.7	0	0	0	0	111	V65 C66 I73 P82 W83 L84 M107 M109	V65-C75 CarbonylContact O-C 3.51Å; V65-C75 WeakPolarHBondContact O-CA 3.28Å; C66-C75 WeakPolarHBondContact CA-SG 3.32Å; C66-C75 HydrophobicContact CB-CB 3.7Å; C66-C75 WeakPolarHBondContact CB-SG 3.22Å; C66-C75 WeakPolarHBondContact SG-CB 3.34Å; C66-C75 CovalentContact SG-SG 2.04Å; C66-C75 PolarHBondContact SG-SG 2.92Å; I73-C75 HydrophobicContact CG2-CB 4.41Å; I73-C75 WeakPolarHBondContact CG2-SG 3.2Å; C75-P82 WeakPolarHBondContact O-CA 3.37Å; C75-P82 WeakPolarHBondContact O-CB 3.43Å; C75-W83 VanDerWaalsContact C-CE2 3.47Å; C75-W83 HydrophobicContact CB-CE3 4.36Å; C75-W83 HydrophobicContact CB-CH2 3.08Å; C75-W83 HydrophobicContact CB-CZ2 3.36Å; C75-W83 HydrophobicContact CB-CZ3 3.58Å; C75-W83 VanDerWaalsContact O-CD2 3.28Å; C75-W83 PolarHBondContact O-N 3.12Å; C75-W83 VanDerWaalsContact O-N 3.08Å; C75-L84 PolarHBondContact N-O 3.39Å; C75-L84 PolarHBondContact O-N 3.07Å; C75-M107 HydrophobicContact CB-CE 4.47Å; C75-M109 HydrophobicContact CB-CE 3.87Å
76	G	95.7	Very high	95.7	Very high	5 Å²	5	51.3 Å²	51.3	5%	0.052	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	171.7	-165.1	0	0	0	0	0	112.5	I64 V65 W83	I64-G76 WeakPolarHBondContact CA-O 3.39Å; V65-G76 PolarHBondContact N-O 2.57Å; V65-G76 PolarHBondContact O-N 3.28Å; G76-W83 VanDerWaalsContact CA-NE1 3.29Å
77	F	95.8	Very high	95.8	Very high	28 Å²	28	54.4 Å²	54.4	12%	0.123	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	144.8	164	-66.5	-58.1	0	0	0	110.3	F13 F55 V59 Q63 I64 G79 Q80	F13-F77 HydrophobicContact CZ-CE2 4.48Å; F55-F77 AromaticContact CD1-CZ 3.88Å; F55-F77 HydrophobicContact CD1-CZ 3.88Å; F55-F77 HydrophobicContact CE1-CE1 4.33Å; F55-F77 AromaticContact CE1-CZ 3.82Å; F55-F77 HydrophobicContact CE1-CZ 3.82Å; V59-F77 HydrophobicContact CB-CE1 4.44Å; V59-F77 HydrophobicContact CG1-CE1 3.72Å; V59-F77 HydrophobicContact CG2-CE1 3.78Å; V59-F77 HydrophobicContact CG2-CZ 3.88Å; Q63-F77 HydrophobicContact CB-CD1 4.26Å; Q63-F77 CarbonylContact O-C 3.55Å; Q63-F77 WeakPolarHBondContact O-CA 3.1Å; I64-F77 HydrophobicContact CG1-CE1 4.45Å; F77-G79 PolarHBondContact O-N 3.03Å; F77-Q80 HydrophobicContact CB-CB 4.12Å; F77-Q80 HydrophobicContact CB-CG 4.07Å; F77-Q80 PolarHBondContact O-N 2.78Å
78	V	95.6	Very high	95.9	Very high	87 Å²	87	48 Å²	48	53%	0.527	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	124.7	175.4	177.9	0	0	0	0	109.5	Q63 V65 Q80	Q63-V78 PolarHBondContact O-N 2.85Å; V65-V78 HydrophobicContact CG2-CB 4.34Å; V65-V78 HydrophobicContact CG2-CG2 3.52Å; V78-Q80 VanDerWaalsContact C-N 3.29Å; V78-Q80 PolarHBondContact O-N 2.04Å
79	G	95.1	Very high	95.8	Very high	88 Å²	88	49.7 Å²	49.7	91%	0.907	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	8.4	177.6	0	0	0	0	0	115.6	F77	F77-G79 PolarHBondContact O-N 3.03Å
80	Q	94.3	Very high	95.8	Very high	91 Å²	91	49.5 Å²	49.5	43%	0.425	30%	0.296	S	S	.	.	S	Bend	trans	-118.1	165.5	178	-58.2	-172.5	6.6	0	0	112	F77 V78	F77-Q80 HydrophobicContact CB-CB 4.12Å; F77-Q80 HydrophobicContact CB-CG 4.07Å; F77-Q80 PolarHBondContact O-N 2.78Å; V78-Q80 VanDerWaalsContact C-N 3.29Å; V78-Q80 PolarHBondContact O-N 2.04Å
81	Q	93.3	Very high	95.8	Very high	171 Å²	171	50 Å²	50	80%	0.799	30%	0.298	S	S	*	.			trans	-58.4	129.4	172.2	-174.9	66.5	28.7	0	0	109.7	W83	Q81-W83 PolarHBondContact O-N 2.94Å
82	P	93.6	Very high	95.8	Very high	40 Å²	40	47.6 Å²	47.6	26%	0.26	28%	0.281	S	S	.	.			trans	-60	135.8	176.3	-24.4	34	0	0	0	111.9	T74 C75	T74-P82 HydrophobicContact CG2-CB 4.08Å; T74-P82 HydrophobicContact CG2-CG 3.83Å; C75-P82 WeakPolarHBondContact O-CA 3.37Å; C75-P82 WeakPolarHBondContact O-CB 3.43Å
83	W	90.6	Very high	95.9	Very high	27 Å²	27	49.4 Å²	49.4	10%	0.102	29%	0.286	C	S	.	.	S	Bend	trans	-77.5	-27	173.1	41.3	-104.4	0	0	0	111.7	M17 I53 C75 G76 Q81 M107 M109	M17-W83 HydrophobicContact CE-CB 4.39Å; I53-W83 HydrophobicContact CD1-CD2 3.89Å; I53-W83 HydrophobicContact CD1-CE3 3.03Å; I53-W83 HydrophobicContact CD1-CH2 3.44Å; I53-W83 VanDerWaalsContact CD1-CH2 3.44Å; I53-W83 HydrophobicContact CD1-CZ2 4.19Å; I53-W83 HydrophobicContact CD1-CZ3 2.83Å; I53-W83 HydrophobicContact CG1-CE3 4.47Å; I53-W83 HydrophobicContact CG1-CZ3 4.27Å; C75-W83 VanDerWaalsContact C-CE2 3.47Å; C75-W83 HydrophobicContact CB-CE3 4.36Å; C75-W83 HydrophobicContact CB-CH2 3.08Å; C75-W83 HydrophobicContact CB-CZ2 3.36Å; C75-W83 HydrophobicContact CB-CZ3 3.58Å; C75-W83 VanDerWaalsContact O-CD2 3.28Å; C75-W83 PolarHBondContact O-N 3.12Å; C75-W83 VanDerWaalsContact O-N 3.08Å; G76-W83 VanDerWaalsContact CA-NE1 3.29Å; Q81-W83 PolarHBondContact O-N 2.94Å; W83-M107 HydrophobicContact CH2-CE 3.89Å; W83-M107 HydrophobicContact CH2-SD 3.52Å; W83-M107 VanDerWaalsContact CH2-SD 3.52Å; W83-M107 HydrophobicContact CZ2-CE 4.15Å; W83-M107 HydrophobicContact CZ2-SD 3.43Å; W83-M107 WeakPolarHBondContact CZ2-SD 3.47Å; W83-M109 HydrophobicContact CH2-CE 3.22Å; W83-M109 HydrophobicContact CZ2-CE 4.48Å; W83-M109 HydrophobicContact CZ3-CE 3.48Å; W83-M109 VanDerWaalsContact CZ3-CE 3.48Å
84	L	92.7	Very high	95.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	116.3	173.5	-168.8	94.6	0	0	0	108.7	W39 I73 T74 C75 M109 L123 M124 W128	W39-L84 HydrophobicContact CH2-CD1 4.34Å; I73-L84 HydrophobicContact CB-CD2 4.06Å; I73-L84 HydrophobicContact CD1-CD2 4.44Å; I73-L84 HydrophobicContact CG2-CD2 3.5Å; I73-L84 HydrophobicContact CG2-CG 4.49Å; T74-L84 CarbonylContact C-O 3.6Å; T74-L84 VanDerWaalsContact CA-O 3.28Å; T74-L84 WeakPolarHBondContact CA-O 3.23Å; C75-L84 PolarHBondContact N-O 3.39Å; C75-L84 PolarHBondContact O-N 3.07Å; L84-M109 HydrophobicContact CD2-CE 3.7Å; L84-M109 HydrophobicContact CD2-SD 4.11Å; L84-L123 HydrophobicContact CD1-CD2 3.71Å; L84-M124 HydrophobicContact CD1-CE 4.27Å; L84-M124 HydrophobicContact CD2-CE 4.47Å; L84-M124 HydrophobicContact CG-CE 3.8Å; L84-W128 HydrophobicContact CB-CH2 4.3Å; L84-W128 HydrophobicContact CD1-CE3 3.94Å; L84-W128 HydrophobicContact CD1-CH2 3.27Å; L84-W128 HydrophobicContact CD1-CZ2 4.19Å; L84-W128 HydrophobicContact CD1-CZ3 3.09Å; L84-W128 HydrophobicContact CG-CH2 3.84Å; L84-W128 HydrophobicContact CG-CZ3 3.86Å
85	S	95	Very high	95.9	Very high	46 Å²	46	53.5 Å²	53.5	32%	0.322	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	133	173.2	-175.9	0	0	0	0	111.2	I73 T74 K127	I73-S85 VanDerWaalsContact O-CA 3.26Å; I73-S85 WeakPolarHBondContact O-CA 3.47Å; T74-S85 PolarHBondContact OG1-OG 3.49Å; T74-S85 VanDerWaalsContact OG1-OG 3.08Å; S85-K127 WeakPolarHBondContact O-CE 3.43Å; S85-K127 PolarHBondContact O-NZ 3.14Å
86	G	96.1	Very high	96.1	Very high	21 Å²	21	58.1 Å²	58.1	22%	0.216	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.4	-171.1	176.7	0	0	0	0	0	114.1	T72 I73 M124	T72-G86 WeakPolarHBondContact CA-O 3.49Å; T72-G86 WeakPolarHBondContact CB-O 3.48Å; I73-G86 PolarHBondContact N-O 3.01Å; I73-G86 PolarHBondContact O-N 2.86Å; I73-G86 VanDerWaalsContact O-N 3.08Å; G86-M124 VanDerWaalsContact CA-SD 3.55Å; G86-M124 VanDerWaalsContact N-CE 3.31Å
87	N	98	Very high	96.2	Very high	88 Å²	88	58.6 Å²	58.6	47%	0.471	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	129.5	177.5	-60.6	-59.1	0	0	0	110.3	S71 T72 M124 T125	S71-N87 CarbonylContact O-C 3.53Å; S71-N87 WeakPolarHBondContact O-CA 3.48Å; T72-N87 WeakPolarHBondContact CG2-OD1 3.34Å; N87-M124 CarbonylContact O-C 3.57Å; N87-M124 WeakPolarHBondContact O-CA 3.24Å; N87-M124 WeakPolarHBondContact O-CB 3.49Å; N87-M124 WeakPolarHBondContact O-CG 3.43Å; N87-T125 HydrophobicContact CB-CG2 3.92Å; N87-T125 PolarHBondContact O-N 3.28Å
88	L	98.2	Very high	96.2	Very high	8 Å²	8	61.3 Å²	61.3	4%	0.042	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-65.6	152.4	173.7	-69.3	170.2	0	0	0	110.9	S71 I73 S90 I92 L111 W120 T125	S71-L88 PolarHBondContact O-N 2.99Å; I73-L88 HydrophobicContact CD1-CD1 4.21Å; I73-L88 HydrophobicContact CD1-CD2 3.71Å; I73-L88 HydrophobicContact CD1-CG 4.37Å; I73-L88 HydrophobicContact CG1-CD1 3.97Å; I73-L88 HydrophobicContact CG1-CD2 3.89Å; I73-L88 HydrophobicContact CG1-CG 4.09Å; L88-S90 WeakPolarHBondContact CB-O 3.09Å; L88-S90 PolarHBondContact O-N 3.24Å; L88-I92 HydrophobicContact CD1-CB 4.49Å; L88-I92 HydrophobicContact CD1-CD1 3.54Å; L88-I92 HydrophobicContact CD1-CG1 3.71Å; L88-I92 HydrophobicContact CD1-CG2 4.01Å; L88-L111 HydrophobicContact CD2-CD1 4.08Å; L88-W120 HydrophobicContact CB-CH2 3.85Å; L88-W120 HydrophobicContact CB-CZ3 4.2Å; L88-W120 HydrophobicContact CD1-CH2 4.38Å; L88-W120 HydrophobicContact CD2-CH2 4.02Å; L88-W120 HydrophobicContact CD2-CZ3 3.94Å; L88-W120 HydrophobicContact CG-CH2 4.31Å; L88-T125 VanDerWaalsContact O-CG2 3.3Å; L88-T125 WeakPolarHBondContact O-CG2 3.43Å
89	F	97.6	Very high	96.3	Very high	67 Å²	67	60.9 Å²	60.9	29%	0.294	35%	0.349	S	S	.	.	S	Bend	trans	-58.2	-37.2	177.9	171.3	-92.1	0	0	0	112.9	T118 W120 H121 S122 L123	F89-T118 HydrophobicContact CE1-CG2 4.49Å; F89-W120 HydrophobicContact CB-CD2 3.93Å; F89-W120 HydrophobicContact CB-CE3 3.7Å; F89-W120 HydrophobicContact CB-CG 4.4Å; F89-W120 HydrophobicContact CB-CZ3 4.12Å; F89-W120 HydrophobicContact CD1-CB 3.89Å; F89-W120 AromaticContact CD1-CD1 3.72Å; F89-W120 AromaticContact CD1-CD2 3.8Å; F89-W120 HydrophobicContact CD1-CD2 3.8Å; F89-W120 HydrophobicContact CD1-CE3 4.43Å; F89-W120 AromaticContact CD1-CG 3.53Å; F89-W120 HydrophobicContact CD1-CG 3.53Å; F89-W120 HydrophobicContact CE1-CB 4.42Å; F89-W120 HydrophobicContact CE1-CG 4.25Å; F89-W120 HydrophobicContact CG-CB 4.4Å; F89-W120 HydrophobicContact CG-CD2 4.28Å; F89-W120 HydrophobicContact CG-CE3 4.48Å; F89-W120 HydrophobicContact CG-CG 4.26Å; F89-H121 AromaticContact CE1-ND1 3.94Å; F89-H121 HydrophobicContact CE2-CB 4.36Å; F89-H121 AromaticContact CE2-ND1 3.42Å; F89-H121 WeakPolarHBondContact CE2-ND1 3.45Å; F89-H121 AromaticContact CZ-CE1 3.74Å; F89-H121 AromaticContact CZ-ND1 3.07Å; F89-H121 WeakPolarHBondContact CZ-ND1 3.32Å; F89-S122 WeakPolarHBondContact CB-O 3.33Å; F89-S122 WeakPolarHBondContact CD2-OG 3.34Å; F89-L123 PolarHBondContact N-O 3.18Å
90	S	97.5	Very high	96.4	Very high	37 Å²	37	59 Å²	59	26%	0.259	32%	0.323	S	S	.	.	S	Bend	trans	-144.1	171.7	176.5	-165.3	0	0	0	0	111	L88 W120	L88-S90 WeakPolarHBondContact CB-O 3.09Å; L88-S90 PolarHBondContact O-N 3.24Å; S90-W120 WeakPolarHBondContact O-CZ2 3.4Å
91	L	98.2	Very high	96.5	Very high	99 Å²	99	56.2 Å²	56.2	52%	0.518	31%	0.311	S	S	.	.			trans	-68.3	144.1	178.6	-64	179.1	0	0	0	111.3	N70 A114	N70-L91 CarbonylContact O-C 3.57Å; N70-L91 VanDerWaalsContact O-CA 3.26Å; N70-L91 WeakPolarHBondContact O-CA 3.41Å; N70-L91 WeakPolarHBondContact O-CD2 3.47Å; L91-A114 HydrophobicContact CB-CB 3.75Å; L91-A114 VanDerWaalsContact O-CB 3.25Å; L91-A114 WeakPolarHBondContact O-CB 3.17Å; L91-A114 PolarHBondContact O-N 3.19Å
92	I	98.6	Very high	96.6	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-122.1	164	172.7	64.3	166.3	0	0	0	109.9	I68 T69 N70 L88 A94 L111 I112 W120	I68-I92 HydrophobicContact CG2-CD1 3.48Å; I68-I92 VanDerWaalsContact CG2-CD1 3.48Å; T69-I92 WeakPolarHBondContact O-CD1 3.25Å; T69-I92 WeakPolarHBondContact O-CG1 3.44Å; N70-I92 WeakPolarHBondContact CA-O 2.97Å; N70-I92 WeakPolarHBondContact CB-O 3.31Å; N70-I92 PolarHBondContact O-N 3.13Å; N70-I92 PolarHBondContact OD1-O 3.34Å; L88-I92 HydrophobicContact CD1-CB 4.49Å; L88-I92 HydrophobicContact CD1-CD1 3.54Å; L88-I92 HydrophobicContact CD1-CG1 3.71Å; L88-I92 HydrophobicContact CD1-CG2 4.01Å; I92-A94 PolarHBondContact O-N 2.72Å; I92-L111 HydrophobicContact CD1-CB 4.2Å; I92-L111 HydrophobicContact CD1-CD2 4.04Å; I92-L111 HydrophobicContact CG2-CB 4.14Å; I92-I112 CarbonylContact C-O 3.58Å; I92-I112 WeakPolarHBondContact CA-O 3.39Å; I92-I112 WeakPolarHBondContact CB-O 3.43Å; I92-W120 HydrophobicContact CG2-CH2 3.78Å; I92-W120 HydrophobicContact CG2-CZ2 3.79Å
93	K	98.3	Very high	96.6	Very high	81 Å²	81	58.1 Å²	58.1	35%	0.352	32%	0.316	S	S	.	.			trans	-90	92.2	168	-56.2	-178	-173.8	176.3	0	108.6	S95 E96 S97 I112	K93-S95 PolarHBondContact O-N 3.4Å; K93-E96 HydrophobicContact CB-CB 4.18Å; K93-E96 HydrophobicContact CB-CG 4.31Å; K93-E96 HydrophobicContact CD-CG 4.32Å; K93-E96 WeakPolarHBondContact CD-OE1 3.37Å; K93-E96 VanDerWaalsContact CD-OE2 3.22Å; K93-E96 WeakPolarHBondContact CD-OE2 3.14Å; K93-E96 IonicContact NZ-OE1 3.08Å; K93-E96 PolarHBondContact NZ-OE1 2.86Å; K93-E96 VanDerWaalsContact NZ-OE1 3.08Å; K93-E96 IonicContact NZ-OE2 3Å; K93-E96 PolarHBondContact NZ-OE2 3.17Å; K93-E96 PolarHBondContact O-N 3.42Å; K93-S97 PolarHBondContact O-N 3.4Å; K93-S97 VanDerWaalsContact O-N 3.09Å; K93-S97 PolarHBondContact O-OG 3.08Å; K93-I112 HydrophobicContact CB-CB 4.3Å; K93-I112 HydrophobicContact CB-CG2 4.43Å; K93-I112 HydrophobicContact CD-CG2 4.03Å; K93-I112 HydrophobicContact CG-CG2 4.44Å; K93-I112 PolarHBondContact N-O 3Å
94	A	97.8	Very high	96.8	Very high	21 Å²	21	62.1 Å²	62.1	17%	0.174	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-32.8	-173.4	0	0	0	0	0	113.4	I68 T69 N70 I92 E96 S97	I68-A94 HydrophobicContact CG2-CB 4.36Å; T69-A94 VanDerWaalsContact C-CB 3.49Å; N70-A94 WeakPolarHBondContact OD1-CB 3.33Å; N70-A94 PolarHBondContact OD1-N 2.96Å; N70-A94 VanDerWaalsContact OD1-N 3.11Å; I92-A94 PolarHBondContact O-N 2.72Å; A94-E96 VanDerWaalsContact C-N 3.26Å; A94-E96 PolarHBondContact O-N 3.43Å; A94-S97 PolarHBondContact O-N 3.08Å
95	S	97.2	Very high	96.9	Very high	117 Å²	117	67.4 Å²	67.4	82%	0.818	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-23.9	177.4	54.6	0	0	0	0	114.2	K93	K93-S95 PolarHBondContact O-N 3.4Å
96	E	97.9	Very high	96.9	Very high	98 Å²	98	69 Å²	69	46%	0.458	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-10.6	177.6	-60.9	176.3	-154	0	0	111.6	K93 A94 I112	K93-E96 HydrophobicContact CB-CB 4.18Å; K93-E96 HydrophobicContact CB-CG 4.31Å; K93-E96 HydrophobicContact CD-CG 4.32Å; K93-E96 WeakPolarHBondContact CD-OE1 3.37Å; K93-E96 VanDerWaalsContact CD-OE2 3.22Å; K93-E96 WeakPolarHBondContact CD-OE2 3.14Å; K93-E96 IonicContact NZ-OE1 3.08Å; K93-E96 PolarHBondContact NZ-OE1 2.86Å; K93-E96 VanDerWaalsContact NZ-OE1 3.08Å; K93-E96 IonicContact NZ-OE2 3Å; K93-E96 PolarHBondContact NZ-OE2 3.17Å; K93-E96 PolarHBondContact O-N 3.42Å; A94-E96 VanDerWaalsContact C-N 3.26Å; A94-E96 PolarHBondContact O-N 3.43Å; E96-I112 HydrophobicContact CB-CB 4.14Å; E96-I112 HydrophobicContact CB-CG1 3.68Å; E96-I112 HydrophobicContact CB-CG2 4.48Å; E96-I112 VanDerWaalsContact O-CG1 3.31Å; E96-I112 WeakPolarHBondContact O-CG1 3.2Å
97	S	98	Very high	96.9	Very high	14 Å²	14	68 Å²	68	10%	0.098	35%	0.346	C	S	.	.			trans	-84.8	143.2	-178.5	-57.5	0	0	0	0	111	K93 A94 C110 I112	K93-S97 PolarHBondContact O-N 3.4Å; K93-S97 VanDerWaalsContact O-N 3.09Å; K93-S97 PolarHBondContact O-OG 3.08Å; A94-S97 PolarHBondContact O-N 3.08Å; S97-C110 CarbonylContact C-O 3.59Å; S97-C110 VanDerWaalsContact CA-O 3.26Å; S97-C110 WeakPolarHBondContact CA-O 3.45Å; S97-C110 WeakPolarHBondContact CB-O 3.26Å; S97-I112 PolarHBondContact OG-N 2.76Å
98	T	97.6	Very high	96.8	Very high	85 Å²	85	65 Å²	65	52%	0.521	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	161.4	-173.9	61	0	0	0	0	112	M109 C110	T98-M109 CarbonylContact O-C 3.58Å; T98-M109 VanDerWaalsContact O-CA 3.32Å; T98-M109 WeakPolarHBondContact O-CA 3.48Å; T98-C110 PolarHBondContact N-O 2.85Å; T98-C110 PolarHBondContact O-N 3.41Å
99	W	97.6	Very high	96.7	Very high	78 Å²	78	64.7 Å²	64.7	30%	0.295	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.3	163.5	69.4	-92.5	0	0	0	110.1	V61 I64 C66 M107 V108 M109	V61-W99 HydrophobicContact CG1-CH2 3.78Å; V61-W99 HydrophobicContact CG1-CZ3 4.25Å; I64-W99 HydrophobicContact CB-CH2 4.24Å; I64-W99 HydrophobicContact CB-CZ3 4.49Å; I64-W99 HydrophobicContact CD1-CZ3 4.35Å; I64-W99 HydrophobicContact CG2-CH2 4.04Å; I64-W99 HydrophobicContact CG2-CZ3 4.17Å; C66-W99 HydrophobicContact CB-CD2 4.25Å; C66-W99 HydrophobicContact CB-CG 4.3Å; C66-W99 HydrophobicContact CB-CZ2 4.3Å; W99-M107 HydrophobicContact CB-CE 3.66Å; W99-M107 HydrophobicContact CD2-CE 3.64Å; W99-M107 HydrophobicContact CE3-CE 3.61Å; W99-M107 HydrophobicContact CE3-CG 4.37Å; W99-M107 HydrophobicContact CE3-SD 4.32Å; W99-M107 HydrophobicContact CG-CE 3.68Å; W99-M107 HydrophobicContact CZ3-CE 4.41Å; W99-V108 CarbonylContact C-O 3.48Å; W99-V108 WeakPolarHBondContact CA-O 3.17Å; W99-M109 HydrophobicContact CB-CB 4.44Å; W99-M109 HydrophobicContact CB-CG 3.95Å
100	S	96.1	Very high	96.7	Very high	50 Å²	50	62.4 Å²	62.4	35%	0.35	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.9	-178.8	48	0	0	0	0	111	H102 M107 V108	S100-H102 PolarHBondContact OG-CD2 3.02Å; S100-H102 PolarHBondContact OG-NE2 2.82Å; S100-M107 CarbonylContact O-C 3.59Å; S100-M107 WeakPolarHBondContact O-CA 3.22Å; S100-V108 PolarHBondContact N-O 2.8Å; S100-V108 PolarHBondContact O-N 2.88Å
101	L	97.1	Very high	96.8	Very high	32 Å²	32	60.7 Å²	60.7	17%	0.168	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	112.9	172	-176.4	65.4	0	0	0	109.3	F55 V59 V61 I64 R106	F55-L101 HydrophobicContact CD2-CD1 3.95Å; F55-L101 HydrophobicContact CE2-CD1 3.62Å; V59-L101 HydrophobicContact CB-CD2 4.45Å; V59-L101 HydrophobicContact CG1-CD2 4.26Å; V59-L101 VanDerWaalsContact O-CD2 3.3Å; V59-L101 WeakPolarHBondContact O-CD2 3.26Å; V61-L101 HydrophobicContact CG2-CB 3.95Å; V61-L101 HydrophobicContact CG2-CD2 3.67Å; V61-L101 HydrophobicContact CG2-CG 4.44Å; I64-L101 HydrophobicContact CD1-CD1 4.01Å; I64-L101 HydrophobicContact CD1-CD2 4.2Å; L101-R106 CarbonylContact C-O 3.56Å
102	H	94.7	Very high	96.8	Very high	74 Å²	74	57.3 Å²	57.3	34%	0.343	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.2	179.1	-65.2	-105.7	0	0	0	110.1	S100 K104 K105 R106	S100-H102 PolarHBondContact OG-CD2 3.02Å; S100-H102 PolarHBondContact OG-NE2 2.82Å; H102-K104 PolarHBondContact O-N 3.03Å; H102-K105 PolarHBondContact O-N 3.21Å; H102-R106 HydrophobicContact CB-CB 4.45Å; H102-R106 PolarHBondContact N-O 2.89Å; H102-R106 PolarHBondContact O-N 2.82Å; H102-R106 VanDerWaalsContact O-N 3.08Å
103	E	94.5	Very high	96.8	Very high	176 Å²	176	57.3 Å²	57.3	82%	0.822	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	25.1	175.2	-60.2	178.7	-168.4	0	0	114.6	K105	E103-K105 PolarHBondContact O-N 3.06Å
104	K	94.4	Very high	96.7	Very high	112 Å²	112	55.5 Å²	55.5	49%	0.487	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	10.5	-174	-56.3	-173.3	179.4	-171.5	0	114.9	I58 V59 H102	I58-K104 CarbonylContact C-O 3.56Å; I58-K104 WeakPolarHBondContact CA-O 3.47Å; I58-K104 HydrophobicContact CB-CB 4.48Å; I58-K104 HydrophobicContact CG2-CB 3.64Å; I58-K104 HydrophobicContact CG2-CD 3.54Å; I58-K104 HydrophobicContact CG2-CG 4.24Å; V59-K104 PolarHBondContact N-O 2.89Å; V59-K104 VanDerWaalsContact O-CB 3.25Å; V59-K104 WeakPolarHBondContact O-CB 3.27Å; H102-K104 PolarHBondContact O-N 3.03Å
105	K	95.3	Very high	96.6	Very high	110 Å²	110	57.4 Å²	57.4	48%	0.478	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-5.8	-173.3	-72.4	-173.8	179.4	-178.7	0	113.9	F55 I58 H102 E103	F55-K105 PolarHBondContact N-O 3.2Å; I58-K105 HydrophobicContact CG1-CG 4.47Å; H102-K105 PolarHBondContact O-N 3.21Å; E103-K105 PolarHBondContact O-N 3.06Å
106	R	94	Very high	96.4	Very high	80 Å²	80	55.9 Å²	55.9	30%	0.302	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	126.1	-178.8	173.6	176.2	58.5	174.2	3.7	110.8	E52 I53 L101 H102 V108	E52-R106 HydrophobicContact CG-CG 3.84Å; E52-R106 WeakPolarHBondContact OE1-CD 3.36Å; E52-R106 IonicContact OE1-CZ 3.81Å; E52-R106 IonicContact OE1-NE 3.45Å; E52-R106 IonicContact OE1-NH1 2.76Å; E52-R106 PolarHBondContact OE1-NH1 3.41Å; E52-R106 IonicContact OE2-NH1 3.51Å; I53-R106 CarbonylContact O-C 3.48Å; I53-R106 WeakPolarHBondContact O-CA 3.27Å; L101-R106 CarbonylContact C-O 3.56Å; H102-R106 HydrophobicContact CB-CB 4.45Å; H102-R106 PolarHBondContact N-O 2.89Å; H102-R106 PolarHBondContact O-N 2.82Å; H102-R106 VanDerWaalsContact O-N 3.08Å; R106-V108 HydrophobicContact CG-CG2 4.03Å
107	M	95.5	Very high	96	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	136.1	168.5	-175.8	171.4	174.5	0	0	110	E52 I53 F55 I64 C66 C75 W83 W99 S100 M109	E52-M107 WeakPolarHBondContact CA-O 3.45Å; I53-M107 HydrophobicContact CB-CB 4.39Å; I53-M107 PolarHBondContact N-O 3.46Å; I53-M107 PolarHBondContact O-N 2.96Å; F55-M107 HydrophobicContact CE2-CB 3.75Å; F55-M107 HydrophobicContact CZ-CB 3.89Å; I64-M107 HydrophobicContact CD1-SD 4.3Å; I64-M107 HydrophobicContact CG2-CE 4.29Å; I64-M107 HydrophobicContact CG2-SD 4.05Å; C66-M107 HydrophobicContact CB-CE 3.82Å; C66-M107 WeakPolarHBondContact SG-CE 3.24Å; C75-M107 HydrophobicContact CB-CE 4.47Å; W83-M107 HydrophobicContact CH2-CE 3.89Å; W83-M107 HydrophobicContact CH2-SD 3.52Å; W83-M107 VanDerWaalsContact CH2-SD 3.52Å; W83-M107 HydrophobicContact CZ2-CE 4.15Å; W83-M107 HydrophobicContact CZ2-SD 3.43Å; W83-M107 WeakPolarHBondContact CZ2-SD 3.47Å; W99-M107 HydrophobicContact CB-CE 3.66Å; W99-M107 HydrophobicContact CD2-CE 3.64Å; W99-M107 HydrophobicContact CE3-CE 3.61Å; W99-M107 HydrophobicContact CE3-CG 4.37Å; W99-M107 HydrophobicContact CE3-SD 4.32Å; W99-M107 HydrophobicContact CG-CE 3.68Å; W99-M107 HydrophobicContact CZ3-CE 4.41Å; S100-M107 CarbonylContact O-C 3.59Å; S100-M107 WeakPolarHBondContact O-CA 3.22Å; M107-M109 HydrophobicContact CE-CE 3.65Å; M107-M109 HydrophobicContact CE-CG 4.21Å; M107-M109 HydrophobicContact SD-CE 4.44Å
108	V	96	Very high	95.8	Very high	24 Å²	24	55 Å²	55	15%	0.145	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.9	174.1	-177.1	0	0	0	0	107.9	V51 W99 S100 R106	V51-V108 CarbonylContact O-C 3.56Å; V51-V108 WeakPolarHBondContact O-CA 3.37Å; W99-V108 CarbonylContact C-O 3.48Å; W99-V108 WeakPolarHBondContact CA-O 3.17Å; S100-V108 PolarHBondContact N-O 2.8Å; S100-V108 PolarHBondContact O-N 2.88Å; R106-V108 HydrophobicContact CG-CG2 4.03Å
109	M	97.3	Very high	95.6	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	140.7	169	-50.7	-177.6	-167.1	0	0	109.6	F50 V51 I73 C75 W83 L84 T98 W99 M107 L111	F50-M109 VanDerWaalsContact CA-O 3.28Å; F50-M109 WeakPolarHBondContact CA-O 3.21Å; V51-M109 HydrophobicContact CB-CB 4.06Å; V51-M109 HydrophobicContact CB-CG 4.23Å; V51-M109 HydrophobicContact CB-SD 4.24Å; V51-M109 PolarHBondContact N-O 2.82Å; V51-M109 PolarHBondContact O-N 2.89Å; I73-M109 HydrophobicContact CD1-SD 4.16Å; I73-M109 HydrophobicContact CG2-CE 4.44Å; I73-M109 HydrophobicContact CG2-SD 4.37Å; C75-M109 HydrophobicContact CB-CE 3.87Å; W83-M109 HydrophobicContact CH2-CE 3.22Å; W83-M109 HydrophobicContact CZ2-CE 4.48Å; W83-M109 HydrophobicContact CZ3-CE 3.48Å; W83-M109 VanDerWaalsContact CZ3-CE 3.48Å; L84-M109 HydrophobicContact CD2-CE 3.7Å; L84-M109 HydrophobicContact CD2-SD 4.11Å; T98-M109 CarbonylContact O-C 3.58Å; T98-M109 VanDerWaalsContact O-CA 3.32Å; T98-M109 WeakPolarHBondContact O-CA 3.48Å; W99-M109 HydrophobicContact CB-CB 4.44Å; W99-M109 HydrophobicContact CB-CG 3.95Å; M107-M109 HydrophobicContact CE-CE 3.65Å; M107-M109 HydrophobicContact CE-CG 4.21Å; M107-M109 HydrophobicContact SD-CE 4.44Å; M109-L111 HydrophobicContact CB-CD2 4.25Å
110	C	97.8	Very high	95.5	Very high	20 Å²	20	48.1 Å²	48.1	14%	0.135	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	113.7	165.3	-179.5	0	0	0	0	108.5	E48 F50 S97 T98	E48-C110 PolarHBondContact OE1-SG 2.9Å; E48-C110 VanDerWaalsContact OE1-SG 3.41Å; F50-C110 HydrophobicContact CD1-CB 4.16Å; F50-C110 HydrophobicContact CE1-CB 3.91Å; S97-C110 CarbonylContact C-O 3.59Å; S97-C110 VanDerWaalsContact CA-O 3.26Å; S97-C110 WeakPolarHBondContact CA-O 3.45Å; S97-C110 WeakPolarHBondContact CB-O 3.26Å; T98-C110 PolarHBondContact N-O 2.85Å; T98-C110 PolarHBondContact O-N 3.41Å
111	L	98.4	Very high	95.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.8	-178.6	-48	176	0	0	0	109.3	E48 V49 V51 I68 I73 L88 I92 M109 K113	E48-L111 CarbonylContact C-O 3.43Å; E48-L111 WeakPolarHBondContact CA-O 3.43Å; V49-L111 HydrophobicContact CB-CB 4.23Å; V49-L111 HydrophobicContact CB-CD1 4.43Å; V49-L111 HydrophobicContact CG1-CD1 4.47Å; V49-L111 PolarHBondContact N-O 3.04Å; V49-L111 WeakPolarHBondContact O-CB 3.5Å; V49-L111 PolarHBondContact O-N 2.92Å; V51-L111 HydrophobicContact CG2-CD1 4.28Å; I68-L111 HydrophobicContact CD1-CD2 4.07Å; I68-L111 HydrophobicContact CG2-CD2 4.27Å; I73-L111 HydrophobicContact CD1-CD1 3.51Å; I73-L111 HydrophobicContact CD1-CD2 3.58Å; I73-L111 HydrophobicContact CD1-CG 4.18Å; L88-L111 HydrophobicContact CD2-CD1 4.08Å; I92-L111 HydrophobicContact CD1-CB 4.2Å; I92-L111 HydrophobicContact CD1-CD2 4.04Å; I92-L111 HydrophobicContact CG2-CB 4.14Å; M109-L111 HydrophobicContact CB-CD2 4.25Å; L111-K113 PolarHBondContact O-N 3.3Å
112	I	98.4	Very high	95.4	Very high	28 Å²	28	47.9 Å²	47.9	14%	0.144	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.5	-177.9	-52.1	-52.5	0	0	0	109.5	E48 I92 K93 E96 S97 A114	E48-I112 HydrophobicContact CG-CD1 3.77Å; I92-I112 CarbonylContact C-O 3.58Å; I92-I112 WeakPolarHBondContact CA-O 3.39Å; I92-I112 WeakPolarHBondContact CB-O 3.43Å; K93-I112 HydrophobicContact CB-CB 4.3Å; K93-I112 HydrophobicContact CB-CG2 4.43Å; K93-I112 HydrophobicContact CD-CG2 4.03Å; K93-I112 HydrophobicContact CG-CG2 4.44Å; K93-I112 PolarHBondContact N-O 3Å; E96-I112 HydrophobicContact CB-CB 4.14Å; E96-I112 HydrophobicContact CB-CG1 3.68Å; E96-I112 HydrophobicContact CB-CG2 4.48Å; E96-I112 VanDerWaalsContact O-CG1 3.31Å; E96-I112 WeakPolarHBondContact O-CG1 3.2Å; S97-I112 PolarHBondContact OG-N 2.76Å; I112-A114 PolarHBondContact O-N 2.56Å
113	K	98.3	Very high	95.6	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-63.4	134.6	-179.8	-65.5	176	177.1	179.6	0	110.2	T45 Q47 E48 V49 L111 S115 T118	T45-K113 PolarHBondContact O-NZ 3.01Å; Q47-K113 VanDerWaalsContact O-CB 3.3Å; Q47-K113 WeakPolarHBondContact O-CB 3.3Å; Q47-K113 WeakPolarHBondContact O-CG 3.47Å; Q47-K113 PolarHBondContact O-N 2.73Å; E48-K113 WeakPolarHBondContact O-CE 3.14Å; V49-K113 HydrophobicContact CG2-CD 4.36Å; V49-K113 HydrophobicContact CG2-CG 4.09Å; L111-K113 PolarHBondContact O-N 3.3Å; K113-S115 PolarHBondContact O-N 3.21Å; K113-T118 PolarHBondContact NZ-O 2.6Å
114	A	98	Very high	95.6	Very high	42 Å²	42	36 Å²	36	35%	0.347	20%	0.203	S	C	.	.	S	Bend	trans	-71	-24.3	171	0	0	0	0	0	112	L91 I112	L91-A114 HydrophobicContact CB-CB 3.75Å; L91-A114 VanDerWaalsContact O-CB 3.25Å; L91-A114 WeakPolarHBondContact O-CB 3.17Å; L91-A114 PolarHBondContact O-N 3.19Å; I112-A114 PolarHBondContact O-N 2.56Å
115	S	95.5	Very high	95.7	Very high	62 Å²	62	34.3 Å²	34.3	43%	0.434	20%	0.203	S	C	.	.	S	Bend	trans	-125.6	85.7	176.5	-56.8	0	0	0	0	110.4	K113 T118	K113-S115 PolarHBondContact O-N 3.21Å; S115-T118 WeakPolarHBondContact O-CB 3.45Å; S115-T118 PolarHBondContact O-N 3.42Å; S115-T118 PolarHBondContact O-OG1 2.87Å
116	P	92.7	Very high	95.5	Very high	85 Å²	85	34 Å²	34	55%	0.552	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	147	175.6	-26.1	35.2	0	0	0	112.4	T46 T118	T46-P116 CarbonylContact O-C 3.49Å; T46-P116 VanDerWaalsContact O-CA 3.29Å; T46-P116 WeakPolarHBondContact O-CA 3.14Å; P116-T118 VanDerWaalsContact C-N 3.29Å; P116-T118 PolarHBondContact O-N 3.36Å
117	G	89.2	Confident	95.5	Very high	42 Å²	42	32.7 Å²	32.7	43%	0.433	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-15.6	-175.8	0	0	0	0	0	114.5	T46 C119	T46-G117 PolarHBondContact O-N 3.26Å; G117-C119 PolarHBondContact O-N 2.99Å
118	T	92.6	Very high	95.4	Very high	51 Å²	51	33.7 Å²	33.7	31%	0.313	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-69.6	124.5	176.5	-51.9	0	0	0	0	110.6	F89 K113 S115 P116	F89-T118 HydrophobicContact CE1-CG2 4.49Å; K113-T118 PolarHBondContact NZ-O 2.6Å; S115-T118 WeakPolarHBondContact O-CB 3.45Å; S115-T118 PolarHBondContact O-N 3.42Å; S115-T118 PolarHBondContact O-OG1 2.87Å; P116-T118 VanDerWaalsContact C-N 3.29Å; P116-T118 PolarHBondContact O-N 3.36Å
119	C	94.1	Very high	95.3	Very high	17 Å²	17	38.3 Å²	38.3	12%	0.115	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-79.2	123.3	170.1	-170.2	0	0	0	0	110.1	Q44 G117 H121 E139 L142	Q44-C119 PolarHBondContact NE2-SG 3.47Å; G117-C119 PolarHBondContact O-N 2.99Å; C119-H121 PolarHBondContact O-CE1 2.96Å; C119-H121 VanDerWaalsContact O-CE1 3.31Å; C119-E139 HydrophobicContact CB-CG 4.18Å; C119-L142 HydrophobicContact CB-CD1 3.58Å
120	W	96.7	Very high	95.2	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-82.9	126	171.6	-74.5	34.9	0	0	0	109	W42 Q44 V49 L88 F89 S90 I92 L123	W42-W120 HydrophobicContact CH2-CB 4.38Å; W42-W120 WeakPolarHBondContact CH2-O 3.42Å; W42-W120 HydrophobicContact CZ3-CB 4.15Å; Q44-W120 PolarHBondContact NE2-O 2.78Å; V49-W120 HydrophobicContact CG1-CE3 4.18Å; V49-W120 HydrophobicContact CG1-CZ3 4.34Å; V49-W120 HydrophobicContact CG2-CD2 3.6Å; V49-W120 HydrophobicContact CG2-CE3 3.83Å; V49-W120 HydrophobicContact CG2-CG 4.03Å; V49-W120 HydrophobicContact CG2-CH2 4.28Å; V49-W120 HydrophobicContact CG2-CZ2 4.1Å; V49-W120 HydrophobicContact CG2-CZ3 4.16Å; L88-W120 HydrophobicContact CB-CH2 3.85Å; L88-W120 HydrophobicContact CB-CZ3 4.2Å; L88-W120 HydrophobicContact CD1-CH2 4.38Å; L88-W120 HydrophobicContact CD2-CH2 4.02Å; L88-W120 HydrophobicContact CD2-CZ3 3.94Å; L88-W120 HydrophobicContact CG-CH2 4.31Å; F89-W120 HydrophobicContact CB-CD2 3.93Å; F89-W120 HydrophobicContact CB-CE3 3.7Å; F89-W120 HydrophobicContact CB-CG 4.4Å; F89-W120 HydrophobicContact CB-CZ3 4.12Å; F89-W120 HydrophobicContact CD1-CB 3.89Å; F89-W120 AromaticContact CD1-CD1 3.72Å; F89-W120 AromaticContact CD1-CD2 3.8Å; F89-W120 HydrophobicContact CD1-CD2 3.8Å; F89-W120 HydrophobicContact CD1-CE3 4.43Å; F89-W120 AromaticContact CD1-CG 3.53Å; F89-W120 HydrophobicContact CD1-CG 3.53Å; F89-W120 HydrophobicContact CE1-CB 4.42Å; F89-W120 HydrophobicContact CE1-CG 4.25Å; F89-W120 HydrophobicContact CG-CB 4.4Å; F89-W120 HydrophobicContact CG-CD2 4.28Å; F89-W120 HydrophobicContact CG-CE3 4.48Å; F89-W120 HydrophobicContact CG-CG 4.26Å; S90-W120 WeakPolarHBondContact O-CZ2 3.4Å; I92-W120 HydrophobicContact CG2-CH2 3.78Å; I92-W120 HydrophobicContact CG2-CZ2 3.79Å; W120-L123 HydrophobicContact CZ3-CD1 4.27Å; W120-L123 WeakPolarHBondContact CZ3-O 3.24Å
121	H	95	Very high	94.9	Very high	73 Å²	73	40.5 Å²	40.5	34%	0.338	24%	0.237	S	C	.	.	S	Bend	trans	-90.1	-14.1	178.2	-42.6	84.4	0	0	0	111.7	F89 C119 K129 A130 L135	F89-H121 AromaticContact CE1-ND1 3.94Å; F89-H121 HydrophobicContact CE2-CB 4.36Å; F89-H121 AromaticContact CE2-ND1 3.42Å; F89-H121 WeakPolarHBondContact CE2-ND1 3.45Å; F89-H121 AromaticContact CZ-CE1 3.74Å; F89-H121 AromaticContact CZ-ND1 3.07Å; F89-H121 WeakPolarHBondContact CZ-ND1 3.32Å; C119-H121 PolarHBondContact O-CE1 2.96Å; C119-H121 VanDerWaalsContact O-CE1 3.31Å; H121-K129 WeakPolarHBondContact O-CA 3.26Å; H121-A130 PolarHBondContact O-N 3.5Å; H121-L135 HydrophobicContact CB-CD1 4.16Å; H121-L135 HydrophobicContact CB-CD2 4.13Å
122	S	96.2	Very high	94.6	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.028	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-152.2	159.6	177.3	52.9	0	0	0	0	109.8	F89 M124 W128	F89-S122 WeakPolarHBondContact CB-O 3.33Å; F89-S122 WeakPolarHBondContact CD2-OG 3.34Å; S122-M124 WeakPolarHBondContact CB-O 3.29Å; S122-M124 PolarHBondContact OG-O 3.28Å; S122-W128 WeakPolarHBondContact CA-O 3.46Å
123	L	96.9	Very high	94.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-73.8	-34.9	172.2	178.6	60.9	0	0	0	111.7	W39 W42 V49 V51 L84 F89 W120 W128	W39-L123 HydrophobicContact CH2-CD2 3.66Å; W39-L123 HydrophobicContact CZ2-CD2 4.07Å; W42-L123 HydrophobicContact CB-CD1 4.46Å; W42-L123 HydrophobicContact CB-CD2 4.2Å; W42-L123 HydrophobicContact CD2-CB 4.02Å; W42-L123 HydrophobicContact CG-CB 3.89Å; W42-L123 HydrophobicContact CG-CD1 4.5Å; W42-L123 HydrophobicContact CG-CD2 4.23Å; W42-L123 HydrophobicContact CG-CG 4.45Å; V49-L123 HydrophobicContact CG1-CD1 4.04Å; V51-L123 HydrophobicContact CG1-CD2 4.1Å; V51-L123 HydrophobicContact CG2-CD1 3.59Å; V51-L123 HydrophobicContact CG2-CD2 3.85Å; V51-L123 HydrophobicContact CG2-CG 4.4Å; L84-L123 HydrophobicContact CD1-CD2 3.71Å; F89-L123 PolarHBondContact N-O 3.18Å; W120-L123 HydrophobicContact CZ3-CD1 4.27Å; W120-L123 WeakPolarHBondContact CZ3-O 3.24Å; L123-W128 HydrophobicContact CB-CB 4.27Å; L123-W128 HydrophobicContact CB-CE3 4.03Å; L123-W128 HydrophobicContact CD2-CE3 3.78Å; L123-W128 HydrophobicContact CD2-CZ3 4.11Å; L123-W128 HydrophobicContact CG-CE3 4.04Å; L123-W128 HydrophobicContact CG-CZ3 4.46Å; L123-W128 PolarHBondContact N-O 3.44Å
124	M	95.5	Very high	93.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-124.3	163.2	177.6	-73.2	-167.3	175.3	0	0	112	L84 G86 N87 S122 D126 K127 W128	L84-M124 HydrophobicContact CD1-CE 4.27Å; L84-M124 HydrophobicContact CD2-CE 4.47Å; L84-M124 HydrophobicContact CG-CE 3.8Å; G86-M124 VanDerWaalsContact CA-SD 3.55Å; G86-M124 VanDerWaalsContact N-CE 3.31Å; N87-M124 CarbonylContact O-C 3.57Å; N87-M124 WeakPolarHBondContact O-CA 3.24Å; N87-M124 WeakPolarHBondContact O-CB 3.49Å; N87-M124 WeakPolarHBondContact O-CG 3.43Å; S122-M124 WeakPolarHBondContact CB-O 3.29Å; S122-M124 PolarHBondContact OG-O 3.28Å; M124-D126 PolarHBondContact O-N 3.04Å; M124-K127 HydrophobicContact CB-CG 3.81Å; M124-K127 HydrophobicContact CG-CG 4.46Å; M124-K127 PolarHBondContact N-O 3.41Å; M124-K127 HydrophobicContact SD-CD 4.29Å; M124-K127 WeakPolarHBondContact SD-CE 3.45Å; M124-K127 HydrophobicContact SD-CG 4.23Å; M124-W128 HydrophobicContact CB-CE3 4.16Å; M124-W128 HydrophobicContact CB-CZ3 4.29Å; M124-W128 HydrophobicContact CE-CE3 4.49Å; M124-W128 HydrophobicContact CE-CH2 3.8Å; M124-W128 HydrophobicContact CE-CZ3 3.37Å; M124-W128 HydrophobicContact CG-CE3 3.73Å; M124-W128 HydrophobicContact CG-CH2 4.48Å; M124-W128 HydrophobicContact CG-CZ3 3.47Å; M124-W128 VanDerWaalsContact CG-CZ3 3.47Å; M124-W128 HydrophobicContact SD-CE3 3.94Å; M124-W128 HydrophobicContact SD-CH2 3.62Å; M124-W128 HydrophobicContact SD-CZ3 3.14Å; M124-W128 WeakPolarHBondContact SD-CZ3 3.47Å
125	T	95.4	Very high	93.7	Very high	78 Å²	78	49.4 Å²	49.4	48%	0.479	28%	0.283	S	S	.	.	S	Bend	trans	-57.9	-32.5	-178.3	52.1	0	0	0	0	113.6	N87 L88	N87-T125 HydrophobicContact CB-CG2 3.92Å; N87-T125 PolarHBondContact O-N 3.28Å; L88-T125 VanDerWaalsContact O-CG2 3.3Å; L88-T125 WeakPolarHBondContact O-CG2 3.43Å
126	D	92.6	Very high	93.5	Very high	103 Å²	103	48.1 Å²	48.1	55%	0.551	27%	0.272	S	S	*	.	S	Bend	trans	-117.7	-15.1	-169.4	61.6	-31.6	0	0	0	114.2	M124	M124-D126 PolarHBondContact O-N 3.04Å
127	K	93	Very high	93.4	Very high	52 Å²	52	46.4 Å²	46.4	23%	0.226	26%	0.256	C	S	.	.	S	Bend	trans	-146.4	165	-172.1	62	-172.9	171.9	-174.2	0	114	S85 M124	S85-K127 WeakPolarHBondContact O-CE 3.43Å; S85-K127 PolarHBondContact O-NZ 3.14Å; M124-K127 HydrophobicContact CB-CG 3.81Å; M124-K127 HydrophobicContact CG-CG 4.46Å; M124-K127 PolarHBondContact N-O 3.41Å; M124-K127 HydrophobicContact SD-CD 4.29Å; M124-K127 WeakPolarHBondContact SD-CE 3.45Å; M124-K127 HydrophobicContact SD-CG 4.23Å
128	W	93.4	Very high	93.5	Very high	23 Å²	23	44.6 Å²	44.6	9%	0.087	24%	0.236	C	C	.	.			trans	58.8	50.5	-178.9	-44.4	-46.7	0	0	0	112.8	F37 W39 W42 L84 S122 L123 M124	F37-W128 HydrophobicContact CD1-CB 4.42Å; F37-W128 AromaticContact CD1-CD1 3.97Å; F37-W128 HydrophobicContact CD2-CB 4.41Å; F37-W128 HydrophobicContact CE1-CB 3.89Å; F37-W128 HydrophobicContact CE1-CG 4.41Å; F37-W128 HydrophobicContact CE2-CB 3.91Å; F37-W128 VanDerWaalsContact CZ-C 3.46Å; F37-W128 VanDerWaalsContact CZ-CA 3.42Å; F37-W128 HydrophobicContact CZ-CB 3.62Å; W39-W128 AromaticContact CD1-NE1 3.78Å; W39-W128 AromaticContact CE2-CE2 3.94Å; W39-W128 AromaticContact CE2-NE1 3.91Å; W39-W128 HydrophobicContact CZ2-CB 4.31Å; W39-W128 AromaticContact CZ2-CD2 3.82Å; W39-W128 HydrophobicContact CZ2-CD2 3.82Å; W39-W128 HydrophobicContact CZ2-CE3 4.21Å; W39-W128 AromaticContact CZ2-CG 3.86Å; W39-W128 HydrophobicContact CZ2-CG 3.86Å; W39-W128 AromaticContact NE1-CD1 3.24Å; W39-W128 AromaticContact NE1-CD2 3.92Å; W39-W128 AromaticContact NE1-CE2 3.48Å; W39-W128 AromaticContact NE1-CG 3.79Å; W39-W128 AromaticContact NE1-NE1 3.03Å; W42-W128 PolarHBondContact NE1-O 3.06Å; W42-W128 VanDerWaalsContact NE1-O 3.13Å; L84-W128 HydrophobicContact CB-CH2 4.3Å; L84-W128 HydrophobicContact CD1-CE3 3.94Å; L84-W128 HydrophobicContact CD1-CH2 3.27Å; L84-W128 HydrophobicContact CD1-CZ2 4.19Å; L84-W128 HydrophobicContact CD1-CZ3 3.09Å; L84-W128 HydrophobicContact CG-CH2 3.84Å; L84-W128 HydrophobicContact CG-CZ3 3.86Å; S122-W128 WeakPolarHBondContact CA-O 3.46Å; L123-W128 HydrophobicContact CB-CB 4.27Å; L123-W128 HydrophobicContact CB-CE3 4.03Å; L123-W128 HydrophobicContact CD2-CE3 3.78Å; L123-W128 HydrophobicContact CD2-CZ3 4.11Å; L123-W128 HydrophobicContact CG-CE3 4.04Å; L123-W128 HydrophobicContact CG-CZ3 4.46Å; L123-W128 PolarHBondContact N-O 3.44Å; M124-W128 HydrophobicContact CB-CE3 4.16Å; M124-W128 HydrophobicContact CB-CZ3 4.29Å; M124-W128 HydrophobicContact CE-CE3 4.49Å; M124-W128 HydrophobicContact CE-CH2 3.8Å; M124-W128 HydrophobicContact CE-CZ3 3.37Å; M124-W128 HydrophobicContact CG-CE3 3.73Å; M124-W128 HydrophobicContact CG-CH2 4.48Å; M124-W128 HydrophobicContact CG-CZ3 3.47Å; M124-W128 VanDerWaalsContact CG-CZ3 3.47Å; M124-W128 HydrophobicContact SD-CE3 3.94Å; M124-W128 HydrophobicContact SD-CH2 3.62Å; M124-W128 HydrophobicContact SD-CZ3 3.14Å; M124-W128 WeakPolarHBondContact SD-CZ3 3.47Å
129	K	95.5	Very high	93.5	Very high	121 Å²	121	43 Å²	43	53%	0.526	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.8	171.6	-71.1	175.3	179.7	-175.2	0	109.3	G23 F37 H121	G23-K129 PolarHBondContact N-O 3.02Å; F37-K129 WeakPolarHBondContact CZ-O 3.32Å; H121-K129 WeakPolarHBondContact O-CA 3.26Å
130	A	93.9	Very high	93.2	Very high	10 Å²	10	45.4 Å²	45.4	8%	0.083	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	143	167.8	0	0	0	0	0	108.8	A35 W42 H121 V134 L135 M138	A35-A130 HydrophobicContact CB-CB 3.97Å; W42-A130 HydrophobicContact CH2-CB 4.35Å; W42-A130 HydrophobicContact CZ2-CB 4.01Å; H121-A130 PolarHBondContact O-N 3.5Å; A130-V134 HydrophobicContact CB-CB 4.37Å; A130-V134 HydrophobicContact CB-CG1 4.24Å; A130-L135 HydrophobicContact CB-CB 4.21Å; A130-M138 HydrophobicContact CB-SD 4.48Å
131	D	91.9	Very high	92.9	Very high	57 Å²	57	47.7 Å²	47.7	31%	0.305	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-58.2	146.3	168.1	179.1	-87.1	0	0	0	110.1	G23 L133 V134 L135	G23-D131 VanDerWaalsContact O-CB 3.23Å; G23-D131 WeakPolarHBondContact O-CB 3.35Å; D131-L133 PolarHBondContact O-N 2.9Å; D131-L133 VanDerWaalsContact O-N 3.12Å; D131-L133 WeakPolarHBondContact OD1-CB 3.42Å; D131-L133 PolarHBondContact OD1-N 2.96Å; D131-V134 HydrophobicContact CB-CB 4.49Å; D131-V134 HydrophobicContact CB-CG2 4.15Å; D131-V134 WeakPolarHBondContact O-CB 3.32Å; D131-V134 PolarHBondContact O-N 2.78Å; D131-L135 WeakPolarHBondContact O-CB 3.36Å; D131-L135 PolarHBondContact O-N 2.81Å
132	P	91.5	Very high	92.7	Very high	97 Å²	97	44.8 Å²	44.8	63%	0.63	23%	0.231	S	C	*	.	H	α-helix	trans	-51.7	-34.5	-178.8	-30.5	37.6	0	0	0	115.1	D136	P132-D136 WeakPolarHBondContact O-CB 3.3Å; P132-D136 PolarHBondContact O-N 2.74Å
133	L	91	Very high	92.4	Very high	128 Å²	128	45.2 Å²	45.2	67%	0.67	23%	0.234	S	C	*	.	H	α-helix	trans	-71.4	-41.9	177.3	-64.5	177.2	0	0	0	111.6	D131 L135 D136 E137	D131-L133 PolarHBondContact O-N 2.9Å; D131-L133 VanDerWaalsContact O-N 3.12Å; D131-L133 WeakPolarHBondContact OD1-CB 3.42Å; D131-L133 PolarHBondContact OD1-N 2.96Å; L133-L135 VanDerWaalsContact C-N 3.32Å; L133-L135 PolarHBondContact O-N 3.26Å; L133-D136 PolarHBondContact O-N 2.8Å; L133-E137 WeakPolarHBondContact O-CG 3.5Å; L133-E137 PolarHBondContact O-N 2.8Å; L133-E137 VanDerWaalsContact O-N 3.07Å
134	V	91.6	Very high	92	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-41.2	176	178.5	0	0	0	0	110.5	Q25 I33 A35 A130 D131 E137 M138	Q25-V134 HydrophobicContact CB-CG2 3.64Å; Q25-V134 HydrophobicContact CG-CG2 4.08Å; I33-V134 HydrophobicContact CG2-CG1 4.04Å; A35-V134 HydrophobicContact CB-CG1 4.36Å; A130-V134 HydrophobicContact CB-CB 4.37Å; A130-V134 HydrophobicContact CB-CG1 4.24Å; D131-V134 HydrophobicContact CB-CB 4.49Å; D131-V134 HydrophobicContact CB-CG2 4.15Å; D131-V134 WeakPolarHBondContact O-CB 3.32Å; D131-V134 PolarHBondContact O-N 2.78Å; V134-E137 PolarHBondContact O-N 3Å; V134-M138 HydrophobicContact CG1-CE 3.89Å; V134-M138 HydrophobicContact CG1-SD 4.44Å; V134-M138 VanDerWaalsContact O-CG 3.31Å; V134-M138 WeakPolarHBondContact O-CG 3.31Å; V134-M138 PolarHBondContact O-N 3.44Å
135	L	92.9	Very high	91.6	Very high	32 Å²	32	48.6 Å²	48.6	17%	0.168	25%	0.25	C	S	.	.	H	α-helix	trans	-63.5	-45	177.4	177.6	59.1	0	0	0	111.8	H121 A130 D131 L133 E137 M138 E139	H121-L135 HydrophobicContact CB-CD1 4.16Å; H121-L135 HydrophobicContact CB-CD2 4.13Å; A130-L135 HydrophobicContact CB-CB 4.21Å; D131-L135 WeakPolarHBondContact O-CB 3.36Å; D131-L135 PolarHBondContact O-N 2.81Å; L133-L135 VanDerWaalsContact C-N 3.32Å; L133-L135 PolarHBondContact O-N 3.26Å; L135-E137 VanDerWaalsContact C-N 3.3Å; L135-E137 PolarHBondContact O-N 3.18Å; L135-M138 WeakPolarHBondContact O-CB 3.44Å; L135-M138 PolarHBondContact O-N 3.48Å; L135-M138 VanDerWaalsContact O-N 3.17Å; L135-E139 HydrophobicContact CD1-CG 4.47Å; L135-E139 WeakPolarHBondContact O-CG 3.33Å; L135-E139 PolarHBondContact O-N 2.85Å
136	D	91	Very high	91.3	Very high	35 Å²	35	49.9 Å²	49.9	19%	0.187	25%	0.246	C	C	.	.	H	α-helix	trans	-58.1	-44.9	176	-176.7	76.4	0	0	0	111.8	P132 L133 E139 R140 Y165	P132-D136 WeakPolarHBondContact O-CB 3.3Å; P132-D136 PolarHBondContact O-N 2.74Å; L133-D136 PolarHBondContact O-N 2.8Å; D136-E139 PolarHBondContact O-N 3.33Å; D136-R140 PolarHBondContact O-N 2.89Å; D136-R140 IonicContact OD2-CZ 3.3Å; D136-R140 IonicContact OD2-NH1 3.52Å; D136-R140 PolarHBondContact OD2-NH1 2.84Å; D136-R140 IonicContact OD2-NH2 3.82Å; D136-R140 PolarHBondContact OD2-NH2 3.24Å; D136-Y165 PolarHBondContact OD1-OH 3.31Å; D136-Y165 PolarHBondContact OD2-OH 3.21Å
137	E	90.7	Very high	91	Very high	48 Å²	48	47.1 Å²	47.1	22%	0.224	23%	0.231	C	C	.	.	H	α-helix	trans	-64	-39.6	174.5	-79	-173.4	-176.5	0	0	113.1	Q25 I33 L133 V134 L135 R140 N141	Q25-E137 PolarHBondContact NE2-OE1 3.04Å; Q25-E137 PolarHBondContact NE2-OE2 3.18Å; I33-E137 HydrophobicContact CD1-CB 3.61Å; I33-E137 HydrophobicContact CD1-CG 4.22Å; I33-E137 WeakPolarHBondContact CD1-OE2 3.47Å; I33-E137 HydrophobicContact CG2-CB 3.81Å; I33-E137 WeakPolarHBondContact CG2-OE2 3.19Å; L133-E137 WeakPolarHBondContact O-CG 3.5Å; L133-E137 PolarHBondContact O-N 2.8Å; L133-E137 VanDerWaalsContact O-N 3.07Å; V134-E137 PolarHBondContact O-N 3Å; L135-E137 VanDerWaalsContact C-N 3.3Å; L135-E137 PolarHBondContact O-N 3.18Å; E137-R140 PolarHBondContact O-N 2.99Å; E137-N141 WeakPolarHBondContact O-CB 3.12Å; E137-N141 PolarHBondContact O-N 3.35Å
138	M	92.4	Very high	90.7	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.02	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-47.3	173	-75.6	-179.7	176.1	0	0	111.2	I33 A35 W42 Q44 A130 V134 L135 R140 N141 L142	I33-M138 HydrophobicContact CG2-CG 4.22Å; I33-M138 VanDerWaalsContact O-CE 3.25Å; I33-M138 WeakPolarHBondContact O-CE 3.14Å; A35-M138 HydrophobicContact CB-CE 4.15Å; W42-M138 HydrophobicContact CE3-CE 4.49Å; W42-M138 HydrophobicContact CH2-CE 4.28Å; W42-M138 HydrophobicContact CH2-SD 4.04Å; W42-M138 HydrophobicContact CZ3-CE 4.16Å; W42-M138 HydrophobicContact CZ3-SD 4.1Å; Q44-M138 HydrophobicContact CG-SD 4.34Å; Q44-M138 PolarHBondContact NE2-SD 2.97Å; Q44-M138 VanDerWaalsContact NE2-SD 3.4Å; A130-M138 HydrophobicContact CB-SD 4.48Å; V134-M138 HydrophobicContact CG1-CE 3.89Å; V134-M138 HydrophobicContact CG1-SD 4.44Å; V134-M138 VanDerWaalsContact O-CG 3.31Å; V134-M138 WeakPolarHBondContact O-CG 3.31Å; V134-M138 PolarHBondContact O-N 3.44Å; L135-M138 WeakPolarHBondContact O-CB 3.44Å; L135-M138 PolarHBondContact O-N 3.48Å; L135-M138 VanDerWaalsContact O-N 3.17Å; M138-R140 VanDerWaalsContact C-N 3.31Å; M138-R140 PolarHBondContact O-N 3.29Å; M138-N141 PolarHBondContact O-N 3.46Å; M138-L142 WeakPolarHBondContact O-CB 3.07Å; M138-L142 VanDerWaalsContact O-CG 3.24Å; M138-L142 WeakPolarHBondContact O-CG 3.34Å; M138-L142 PolarHBondContact O-N 3.41Å
139	E	92.1	Very high	90.4	Very high	19 Å²	19	51.6 Å²	51.6	9%	0.089	26%	0.256	C	S	.	.	H	α-helix	trans	-59.4	-41.6	177.2	-72.3	-173.7	138.1	0	0	111.8	C119 L135 D136 L142 T143 Y165 R166	C119-E139 HydrophobicContact CB-CG 4.18Å; L135-E139 HydrophobicContact CD1-CG 4.47Å; L135-E139 WeakPolarHBondContact O-CG 3.33Å; L135-E139 PolarHBondContact O-N 2.85Å; D136-E139 PolarHBondContact O-N 3.33Å; E139-L142 PolarHBondContact O-N 3.04Å; E139-T143 PolarHBondContact O-N 2.81Å; E139-T143 PolarHBondContact O-OG1 3Å; E139-Y165 HydrophobicContact CB-CD2 3.98Å; E139-Y165 HydrophobicContact CB-CE2 4.08Å; E139-R166 WeakPolarHBondContact OE2-CG 3.49Å; E139-R166 IonicContact OE2-NE 3Å
140	R	89.2	Confident	90	Very high	67 Å²	67	50.7 Å²	50.7	25%	0.253	25%	0.254	S	S	.	.	H	α-helix	trans	-61.1	-49.9	174.8	-173.7	-177.3	-65.3	99.5	8.8	111.2	D136 E137 M138 L142 T143 I144 I161 Y165	D136-R140 PolarHBondContact O-N 2.89Å; D136-R140 IonicContact OD2-CZ 3.3Å; D136-R140 IonicContact OD2-NH1 3.52Å; D136-R140 PolarHBondContact OD2-NH1 2.84Å; D136-R140 IonicContact OD2-NH2 3.82Å; D136-R140 PolarHBondContact OD2-NH2 3.24Å; E137-R140 PolarHBondContact O-N 2.99Å; M138-R140 VanDerWaalsContact C-N 3.31Å; M138-R140 PolarHBondContact O-N 3.29Å; R140-L142 PolarHBondContact O-N 3.13Å; R140-T143 WeakPolarHBondContact O-CB 3.12Å; R140-T143 PolarHBondContact O-N 3.29Å; R140-T143 VanDerWaalsContact O-N 3.14Å; R140-I144 PolarHBondContact O-N 3.21Å; R140-I161 HydrophobicContact CG-CB 4.25Å; R140-I161 HydrophobicContact CG-CD1 4.41Å; R140-Y165 HydrophobicContact CB-CE2 4.36Å; R140-Y165 PolarHBondContact NH2-OH 3.46Å
141	N	89.4	Confident	89.7	Confident	49 Å²	49	53.3 Å²	53.3	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-61.7	-41.7	179	-85.4	-5	0	0	0	113.2	I33 E137 M138 T143 I144 Q145	I33-N141 WeakPolarHBondContact CD1-ND2 3.35Å; I33-N141 VanDerWaalsContact CG1-ND2 3.29Å; I33-N141 WeakPolarHBondContact CG1-ND2 3.3Å; E137-N141 WeakPolarHBondContact O-CB 3.12Å; E137-N141 PolarHBondContact O-N 3.35Å; M138-N141 PolarHBondContact O-N 3.46Å; N141-T143 PolarHBondContact O-N 3.09Å; N141-I144 PolarHBondContact O-N 3.39Å; N141-Q145 WeakPolarHBondContact O-CG 3.47Å; N141-Q145 PolarHBondContact O-N 2.8Å
142	L	91.7	Very high	89.3	Confident	11 Å²	11	56.1 Å²	56.1	6%	0.058	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-36.4	175.9	-69.4	178.8	0	0	0	111.5	Q44 T45 T46 C119 M138 E139 R140 R146	Q44-L142 HydrophobicContact CG-CD1 4.3Å; Q44-L142 HydrophobicContact CG-CD2 4.35Å; T45-L142 VanDerWaalsContact O-CD2 3.24Å; T45-L142 WeakPolarHBondContact O-CD2 3.37Å; T46-L142 HydrophobicContact CG2-CB 4.45Å; T46-L142 HydrophobicContact CG2-CD2 4.1Å; T46-L142 WeakPolarHBondContact CG2-O 3.42Å; T46-L142 VanDerWaalsContact N-CD2 3.25Å; C119-L142 HydrophobicContact CB-CD1 3.58Å; M138-L142 WeakPolarHBondContact O-CB 3.07Å; M138-L142 VanDerWaalsContact O-CG 3.24Å; M138-L142 WeakPolarHBondContact O-CG 3.34Å; M138-L142 PolarHBondContact O-N 3.41Å; E139-L142 PolarHBondContact O-N 3.04Å; R140-L142 PolarHBondContact O-N 3.13Å; L142-R146 WeakPolarHBondContact O-CB 3.3Å; L142-R146 PolarHBondContact O-N 3.04Å
143	T	89.4	Confident	88.9	Confident	14 Å²	14	55.5 Å²	55.5	9%	0.086	30%	0.299	C	S	.	.	H	α-helix	trans	-64.1	-47.1	175	-55.3	0	0	0	0	111.2	E139 R140 N141 Q145 R146 L147 I161	E139-T143 PolarHBondContact O-N 2.81Å; E139-T143 PolarHBondContact O-OG1 3Å; R140-T143 WeakPolarHBondContact O-CB 3.12Å; R140-T143 PolarHBondContact O-N 3.29Å; R140-T143 VanDerWaalsContact O-N 3.14Å; N141-T143 PolarHBondContact O-N 3.09Å; T143-Q145 PolarHBondContact O-N 3.24Å; T143-R146 PolarHBondContact O-N 3.31Å; T143-L147 HydrophobicContact CG2-CD1 4.37Å; T143-L147 WeakPolarHBondContact O-CG 3.25Å; T143-L147 PolarHBondContact O-N 3.32Å; T143-I161 HydrophobicContact CG2-CD1 3.94Å
144	I	87.8	Confident	88.4	Confident	21 Å²	21	54.2 Å²	54.2	11%	0.108	29%	0.292	C	S	.	.	H	α-helix	trans	-58.2	-49.3	175.9	-64.1	171.3	0	0	0	110.9	R140 N141 R146 L147 Q148 F156 I161	R140-I144 PolarHBondContact O-N 3.21Å; N141-I144 PolarHBondContact O-N 3.39Å; I144-R146 VanDerWaalsContact C-N 3.29Å; I144-R146 PolarHBondContact O-N 3.11Å; I144-L147 PolarHBondContact O-N 3.05Å; I144-Q148 HydrophobicContact CG2-CG 4.48Å; I144-Q148 WeakPolarHBondContact O-CG 3.26Å; I144-Q148 PolarHBondContact O-N 3.24Å; I144-F156 HydrophobicContact CG2-CB 4.26Å; I144-I161 HydrophobicContact CB-CD1 4.49Å; I144-I161 HydrophobicContact CD1-CD1 4.18Å; I144-I161 HydrophobicContact CG1-CD1 3.34Å; I144-I161 HydrophobicContact CG1-CG1 4.2Å
145	Q	88.1	Confident	87.8	Confident	50 Å²	50	59.4 Å²	59.4	23%	0.234	32%	0.32	C	S	.	.	H	α-helix	trans	-58.8	-42.3	179.5	-73.6	173.6	26.5	0	0	111.6	T45 T46 N141 T143 Q148 I149	T45-Q145 VanDerWaalsContact CA-OE1 3.25Å; T45-Q145 VanDerWaalsContact CB-OE1 3.3Å; T46-Q145 HydrophobicContact CG2-CB 3.74Å; N141-Q145 WeakPolarHBondContact O-CG 3.47Å; N141-Q145 PolarHBondContact O-N 2.8Å; T143-Q145 PolarHBondContact O-N 3.24Å; Q145-Q148 PolarHBondContact O-N 3.37Å; Q145-I149 WeakPolarHBondContact O-CD1 3.39Å; Q145-I149 VanDerWaalsContact O-CG1 3.26Å; Q145-I149 WeakPolarHBondContact O-CG1 3.4Å; Q145-I149 PolarHBondContact O-N 3.45Å
146	R	87.6	Confident	87	Confident	105 Å²	105	60 Å²	60	40%	0.396	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-46	177.1	-177.2	177	178	-174.1	-3.4	111.6	T46 L142 T143 I144 Q148 I149 E150 G168	T46-R146 HydrophobicContact CG2-CB 4.26Å; L142-R146 WeakPolarHBondContact O-CB 3.3Å; L142-R146 PolarHBondContact O-N 3.04Å; T143-R146 PolarHBondContact O-N 3.31Å; I144-R146 VanDerWaalsContact C-N 3.29Å; I144-R146 PolarHBondContact O-N 3.11Å; R146-Q148 VanDerWaalsContact C-N 3.34Å; R146-Q148 PolarHBondContact O-N 3.31Å; R146-I149 PolarHBondContact O-N 3.38Å; R146-E150 HydrophobicContact CG-CG 4.37Å; R146-E150 IonicContact CZ-OE1 3.36Å; R146-E150 IonicContact NE-OE1 2.75Å; R146-E150 PolarHBondContact NE-OE1 2.91Å; R146-E150 IonicContact NE-OE2 3.99Å; R146-E150 IonicContact NH2-OE1 3.08Å; R146-E150 PolarHBondContact NH2-OE1 3.22Å; R146-E150 VanDerWaalsContact NH2-OE1 3.08Å; R146-E150 WeakPolarHBondContact O-CB 3.47Å; R146-E150 WeakPolarHBondContact O-CG 3.29Å; R146-E150 PolarHBondContact O-N 3.46Å; R146-G168 PolarHBondContact NH1-O 2.86Å
147	L	87.6	Confident	86.2	Confident	44 Å²	44	62 Å²	62	23%	0.23	34%	0.338	C	S	.	.	H	α-helix	trans	-62.3	-40	178.7	-70.5	172.4	0	0	0	112.4	T143 I144 E150 N151 F156	T143-L147 HydrophobicContact CG2-CD1 4.37Å; T143-L147 WeakPolarHBondContact O-CG 3.25Å; T143-L147 PolarHBondContact O-N 3.32Å; I144-L147 PolarHBondContact O-N 3.05Å; L147-E150 PolarHBondContact O-N 3.01Å; L147-N151 WeakPolarHBondContact O-CB 3.41Å; L147-N151 PolarHBondContact O-N 3.45Å; L147-N151 PolarHBondContact O-ND2 3.48Å; L147-F156 HydrophobicContact CB-CD2 3.96Å; L147-F156 HydrophobicContact CB-CE2 4.12Å; L147-F156 HydrophobicContact CB-CG 4.34Å
148	Q	86.1	Confident	85.5	Confident	69 Å²	69	64.9 Å²	64.9	32%	0.322	36%	0.363	S	S	.	.	H	α-helix	trans	-64.3	-40	175.1	-73	174.4	-30.5	0	0	112.2	I144 Q145 R146 N151 F156	I144-Q148 HydrophobicContact CG2-CG 4.48Å; I144-Q148 WeakPolarHBondContact O-CG 3.26Å; I144-Q148 PolarHBondContact O-N 3.24Å; Q145-Q148 PolarHBondContact O-N 3.37Å; R146-Q148 VanDerWaalsContact C-N 3.34Å; R146-Q148 PolarHBondContact O-N 3.31Å; Q148-N151 CarbonylContact O-C 3.47Å; Q148-F156 HydrophobicContact CG-CB 4.32Å; Q148-F156 HydrophobicContact CG-CD2 3.92Å
149	I	86.9	Confident	84.5	Confident	101 Å²	101	66.8 Å²	66.8	52%	0.518	38%	0.38	S	S	.	.	H	α-helix	trans	-67.2	-42.8	176.3	-69.1	164.3	0	0	0	111.1	Q145 R146 N151	Q145-I149 WeakPolarHBondContact O-CD1 3.39Å; Q145-I149 VanDerWaalsContact O-CG1 3.26Å; Q145-I149 WeakPolarHBondContact O-CG1 3.4Å; Q145-I149 PolarHBondContact O-N 3.45Å; R146-I149 PolarHBondContact O-N 3.38Å; I149-N151 VanDerWaalsContact C-N 3.31Å; I149-N151 PolarHBondContact O-N 3.27Å
150	E	87.3	Confident	83.4	Confident	101 Å²	101	72.9 Å²	72.9	47%	0.472	41%	0.413	S	S	.	.	H	α-helix	trans	-72.6	-24.2	-178.5	-72.2	175.8	174.7	0	0	112.6	R146 L147 P152	R146-E150 HydrophobicContact CG-CG 4.37Å; R146-E150 IonicContact CZ-OE1 3.36Å; R146-E150 IonicContact NE-OE1 2.75Å; R146-E150 PolarHBondContact NE-OE1 2.91Å; R146-E150 IonicContact NE-OE2 3.99Å; R146-E150 IonicContact NH2-OE1 3.08Å; R146-E150 PolarHBondContact NH2-OE1 3.22Å; R146-E150 VanDerWaalsContact NH2-OE1 3.08Å; R146-E150 WeakPolarHBondContact O-CB 3.47Å; R146-E150 WeakPolarHBondContact O-CG 3.29Å; R146-E150 PolarHBondContact O-N 3.46Å; L147-E150 PolarHBondContact O-N 3.01Å; E150-P152 WeakPolarHBondContact O-CD 3.45Å
151	N	88.1	Confident	82.4	Confident	65 Å²	65	71.1 Å²	71.1	35%	0.348	41%	0.408	S	S	.	.	S	Bend	trans	-128	70.7	-177.9	-54.1	-89.9	0	0	0	111	L147 Q148 I149 G153 L154 F156	L147-N151 WeakPolarHBondContact O-CB 3.41Å; L147-N151 PolarHBondContact O-N 3.45Å; L147-N151 PolarHBondContact O-ND2 3.48Å; Q148-N151 CarbonylContact O-C 3.47Å; I149-N151 VanDerWaalsContact C-N 3.31Å; I149-N151 PolarHBondContact O-N 3.27Å; N151-G153 PolarHBondContact O-N 2.76Å; N151-L154 HydrophobicContact CB-CB 4.33Å; N151-L154 HydrophobicContact CB-CD1 3.94Å; N151-L154 HydrophobicContact CB-CG 4.34Å; N151-L154 PolarHBondContact O-N 2.94Å; N151-L154 VanDerWaalsContact O-N 3.13Å; N151-F156 HydrophobicContact CB-CE2 4.04Å; N151-F156 HydrophobicContact CB-CZ 4.34Å
152	P	84	Confident	81.3	Confident	117 Å²	117	73.7 Å²	73.7	76%	0.76	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	125.5	-179.5	25	-33.9	0	0	0	110.4	E150	E150-P152 WeakPolarHBondContact O-CD 3.45Å
153	G	82.1	Confident	80.2	Confident	84 Å²	84	76 Å²	76	87%	0.866	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.4	-7.8	-178.1	0	0	0	0	0	115	N151	N151-G153 PolarHBondContact O-N 2.76Å
154	L	80.2	Confident	79.1	Confident	101 Å²	101	81.1 Å²	81.1	53%	0.529	48%	0.483	S	S	.	.			trans	-99.8	132.1	168.2	-63.7	-178	0	0	0	110.3	N151 F156	N151-L154 HydrophobicContact CB-CB 4.33Å; N151-L154 HydrophobicContact CB-CD1 3.94Å; N151-L154 HydrophobicContact CB-CG 4.34Å; N151-L154 PolarHBondContact O-N 2.94Å; N151-L154 VanDerWaalsContact O-N 3.13Å; L154-F156 HydrophobicContact CB-CD2 4.26Å; L154-F156 HydrophobicContact CB-CE1 4.46Å; L154-F156 HydrophobicContact CB-CE2 3.47Å; L154-F156 VanDerWaalsContact CB-CE2 3.47Å; L154-F156 HydrophobicContact CB-CZ 3.6Å; L154-F156 HydrophobicContact CD1-CE2 4.27Å; L154-F156 HydrophobicContact CD1-CZ 3.65Å; L154-F156 HydrophobicContact CG-CZ 4.29Å
155	D	79.8	Confident	78.2	Confident	110 Å²	110	81.3 Å²	81.3	59%	0.588	48%	0.483	S	S	*	.			trans	-97.1	115.7	173	-175	13.8	0	0	0	110.4	S157	D155-S157 VanDerWaalsContact CG-OG 3.29Å; D155-S157 WeakPolarHBondContact OD1-CB 3.46Å; D155-S157 PolarHBondContact OD1-N 3.43Å; D155-S157 PolarHBondContact OD1-OG 3.4Å; D155-S157 PolarHBondContact OD2-OG 2.89Å; D155-S157 VanDerWaalsContact OD2-OG 3.06Å
156	F	75.8	Confident	77	Confident	46 Å²	46	85.8 Å²	85.8	20%	0.202	50%	0.497	C	S	.	.			trans	-106.2	9.2	176	-57.8	-80.3	0	0	0	112.9	I144 L147 Q148 N151 L154 S158 A159	I144-F156 HydrophobicContact CG2-CB 4.26Å; L147-F156 HydrophobicContact CB-CD2 3.96Å; L147-F156 HydrophobicContact CB-CE2 4.12Å; L147-F156 HydrophobicContact CB-CG 4.34Å; Q148-F156 HydrophobicContact CG-CB 4.32Å; Q148-F156 HydrophobicContact CG-CD2 3.92Å; N151-F156 HydrophobicContact CB-CE2 4.04Å; N151-F156 HydrophobicContact CB-CZ 4.34Å; L154-F156 HydrophobicContact CB-CD2 4.26Å; L154-F156 HydrophobicContact CB-CE1 4.46Å; L154-F156 HydrophobicContact CB-CE2 3.47Å; L154-F156 VanDerWaalsContact CB-CE2 3.47Å; L154-F156 HydrophobicContact CB-CZ 3.6Å; L154-F156 HydrophobicContact CD1-CE2 4.27Å; L154-F156 HydrophobicContact CD1-CZ 3.65Å; L154-F156 HydrophobicContact CG-CZ 4.29Å; F156-S158 PolarHBondContact O-N 2.95Å; F156-A159 HydrophobicContact CB-CB 4.21Å; F156-A159 VanDerWaalsContact O-CB 3.29Å; F156-A159 WeakPolarHBondContact O-CB 3.22Å; F156-A159 PolarHBondContact O-N 3.21Å
157	S	73.7	Confident	75.8	Confident	76 Å²	76	88.6 Å²	88.6	53%	0.531	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.5	-176.3	64.6	0	0	0	0	113.2	D155	D155-S157 VanDerWaalsContact CG-OG 3.29Å; D155-S157 WeakPolarHBondContact OD1-CB 3.46Å; D155-S157 PolarHBondContact OD1-N 3.43Å; D155-S157 PolarHBondContact OD1-OG 3.4Å; D155-S157 PolarHBondContact OD2-OG 2.89Å; D155-S157 VanDerWaalsContact OD2-OG 3.06Å
158	S	75.7	Confident	74.4	Confident	108 Å²	108	88 Å²	88	76%	0.755	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	7	176.2	68.1	0	0	0	0	114	F156	F156-S158 PolarHBondContact O-N 2.95Å
159	A	72.4	Confident	73.1	Confident	45 Å²	45	85.6 Å²	85.6	37%	0.372	52%	0.518	S	S	.	.			trans	-75.6	126.9	-178.2	0	0	0	0	0	110.5	F156 I161	F156-A159 HydrophobicContact CB-CB 4.21Å; F156-A159 VanDerWaalsContact O-CB 3.29Å; F156-A159 WeakPolarHBondContact O-CB 3.22Å; F156-A159 PolarHBondContact O-N 3.21Å; A159-I161 PolarHBondContact O-N 2.99Å
160	D	69.5	Low	71.7	Confident	146 Å²	146	85.2 Å²	85.2	78%	0.781	52%	0.523	S	S	*	.			trans	-78.3	105.6	168.7	-170	21.7	0	0	0	109.1	S162	D160-S162 PolarHBondContact O-N 3.5Å
161	I	67.3	Low	70.3	Confident	30 Å²	30	90 Å²	90	15%	0.154	54%	0.542	C	S	.	.			trans	-83.3	97.3	175.4	-57.8	-173.5	0	0	0	108.1	R140 T143 I144 A159 Y165	R140-I161 HydrophobicContact CG-CB 4.25Å; R140-I161 HydrophobicContact CG-CD1 4.41Å; T143-I161 HydrophobicContact CG2-CD1 3.94Å; I144-I161 HydrophobicContact CB-CD1 4.49Å; I144-I161 HydrophobicContact CD1-CD1 4.18Å; I144-I161 HydrophobicContact CG1-CD1 3.34Å; I144-I161 HydrophobicContact CG1-CG1 4.2Å; A159-I161 PolarHBondContact O-N 2.99Å; I161-Y165 HydrophobicContact CG2-CD1 3.77Å; I161-Y165 HydrophobicContact CG2-CG 4.28Å
162	S	66.3	Low	68.6	Low	104 Å²	104	94.7 Å²	94.7	73%	0.727	56%	0.559	S	S	*	*			trans	-97.7	145	165.4	66.8	0	0	0	0	110.6	D160	D160-S162 PolarHBondContact O-N 3.5Å
163	G	67.8	Low	67	Low	58 Å²	58	95 Å²	95	60%	0.598	56%	0.561	S	S	*	*	S	Bend	trans	110.5	-166	176.5	0	0	0	0	0	114.9	Y165	G163-Y165 WeakPolarHBondContact O-CD1 3.21Å; G163-Y165 WeakPolarHBondContact O-CE1 3.41Å; G163-Y165 PolarHBondContact O-N 3.44Å
164	N	67.2	Low	65.5	Low	122 Å²	122	101.3 Å²	101.3	65%	0.652	58%	0.583	S	S	*	*			trans	-84.1	95.6	-177.7	-173.3	23.2	0	0	0	110.9	R166	N164-R166 PolarHBondContact OD1-N 3Å
165	Y	68.6	Low	64.8	Low	25 Å²	25	101.3 Å²	101.3	10%	0.098	59%	0.585	C	S	.	*			trans	-93.5	-6.3	172.9	45	-90.7	0	0	0	113.6	D136 E139 R140 I161 G163 N167 G168 G169	D136-Y165 PolarHBondContact OD1-OH 3.31Å; D136-Y165 PolarHBondContact OD2-OH 3.21Å; E139-Y165 HydrophobicContact CB-CD2 3.98Å; E139-Y165 HydrophobicContact CB-CE2 4.08Å; R140-Y165 HydrophobicContact CB-CE2 4.36Å; R140-Y165 PolarHBondContact NH2-OH 3.46Å; I161-Y165 HydrophobicContact CG2-CD1 3.77Å; I161-Y165 HydrophobicContact CG2-CG 4.28Å; G163-Y165 WeakPolarHBondContact O-CD1 3.21Å; G163-Y165 WeakPolarHBondContact O-CE1 3.41Å; G163-Y165 PolarHBondContact O-N 3.44Å; Y165-N167 PolarHBondContact O-N 3.08Å; Y165-G168 PolarHBondContact O-N 3.42Å; Y165-G169 PolarHBondContact O-N 3.25Å
166	R	63	Low	64	Low	144 Å²	144	100.8 Å²	100.8	54%	0.543	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62	136.2	179.6	-62.2	-166.4	169.9	168.6	3.2	110.6	E139 N164	E139-R166 WeakPolarHBondContact OE2-CG 3.49Å; E139-R166 IonicContact OE2-NE 3Å; N164-R166 PolarHBondContact OD1-N 3Å
167	N	62.2	Low	63.3	Low	164 Å²	164	103.9 Å²	103.9	88%	0.877	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.3	31	-178.2	-52.2	-58.5	0	0	0	115.9	Y165	Y165-N167 PolarHBondContact O-N 3.08Å
168	G	58.2	Low	62.7	Low	33 Å²	33	105.5 Å²	105.5	34%	0.34	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	100.7	23.3	166.8	0	0	0	0	0	115.5	R146 Y165	R146-G168 PolarHBondContact NH1-O 2.86Å; Y165-G168 PolarHBondContact O-N 3.42Å
169	G	59.9	Low	61.9	Low	17 Å²	17	105.4 Å²	105.4	18%	0.175	60%	0.602	C	S	.	*	S	Bend	trans	76.9	173.8	171.6	0	0	0	0	0	115.4	Y165 K171	Y165-G169 PolarHBondContact O-N 3.25Å; G169-K171 PolarHBondContact O-N 3.08Å
170	P	55.8	Low	61.2	Low	94 Å²	94	109.4 Å²	109.4	61%	0.61	62%	0.617	S	S	*	*			trans	-60.9	127.1	173.6	14.4	-16	0	0	0	109.9	F172	P170-F172 PolarHBondContact O-N 2.75Å
171	K	58.7	Low	60.6	Low	201 Å²	201	106.8 Å²	106.8	87%	0.874	61%	0.606	S	S	*	*			trans	-72.9	111.2	167.8	-67.5	-176.2	178.6	-177.6	0	107.5	G169	G169-K171 PolarHBondContact O-N 3.08Å
172	F	53.3	Low	60.1	Low	163 Å²	163	112.7 Å²	112.7	72%	0.715	64%	0.64	S	S	*	*			trans	-64.6	131.7	169.1	-65.9	-76.5	0	0	0	108.6	P170 V174	P170-F172 PolarHBondContact O-N 2.75Å; F172-V174 PolarHBondContact O-N 3.41Å
173	P	49.2	Very low	59.6	Low	123 Å²	123	113.4 Å²	113.4	80%	0.799	63%	0.633	S	S	*	*			trans	-59.2	134.6	167.6	-8.7	21.3	0	0	0	108.4
174	V	51.2	Low	58.8	Low	217 Å²	217	118.5 Å²	118.5	100%	1.315	64%	0.636	S	S	*	*			trans	-68.9	0	163.5	-70.6	0	0	0	0	110.8	F172	F172-V174 PolarHBondContact O-N 3.41Å

Retrieved 174 of 174 residues in 42.8 ms (Link to these results)

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