A0A096LUR4_POEFO Loading...

Chitinase domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A096LUR4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 254 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	H	36.5	Very low	34.6	Very low	247 Å²	247	147.6 Å²	147.6	100%	1.144	85%	0.849	S	S	*	*				0	101.2	0	-87.3	-75.8	0	0	0	108
2	T	30.5	Very low	34.7	Very low	147 Å²	147	149.6 Å²	149.6	90%	0.902	85%	0.853	S	S	*	*			trans	-142.5	129.2	-176.7	-9.5	0	0	0	0	107.1
3	A	36.4	Very low	35.1	Very low	94 Å²	94	146.1 Å²	146.1	78%	0.777	84%	0.844	S	S	*	*			trans	-68.7	151.2	-178.3	0	0	0	0	0	112
4	F	31.3	Very low	35.4	Very low	186 Å²	186	149.7 Å²	149.7	82%	0.816	85%	0.845	S	S	*	*			trans	-149.4	112.8	157.9	-124.6	-85.6	0	0	0	110.3	W6	F4-W6 AromaticContact CD1-CD1 3.61Å; F4-W6 AromaticContact CD1-NE1 3.28Å; F4-W6 VanDerWaalsContact CD1-NE1 3.28Å; F4-W6 AromaticContact CE1-NE1 3.5Å
5	C	37.5	Very low	36	Very low	119 Å²	119	148.5 Å²	148.5	80%	0.804	84%	0.842	S	S	*	*			trans	-71	140.8	162.4	-84.5	0	0	0	0	109.6
6	W	31.3	Very low	36.3	Very low	221 Å²	221	149 Å²	149	84%	0.837	84%	0.842	S	S	*	*			trans	-131	123.2	154.8	-87.4	78.3	0	0	0	110.4	F4	F4-W6 AromaticContact CD1-CD1 3.61Å; F4-W6 AromaticContact CD1-NE1 3.28Å; F4-W6 VanDerWaalsContact CD1-NE1 3.28Å; F4-W6 AromaticContact CE1-NE1 3.5Å
7	L	34.6	Very low	36.8	Very low	163 Å²	163	146.6 Å²	146.6	85%	0.853	84%	0.837	S	S	*	*			trans	-66.1	134.2	174.7	-76.8	131.3	0	0	0	110.4	G9	L7-G9 PolarHBondContact O-N 3.43Å; L7-G9 VanDerWaalsContact O-N 3.15Å
8	V	35.9	Very low	37.4	Very low	145 Å²	145	149.7 Å²	149.7	88%	0.879	84%	0.839	S	S	*	*			trans	-71.8	103.9	169.1	-178	0	0	0	0	108	A10	V8-A10 PolarHBondContact O-N 3.1Å
9	G	35.1	Very low	37.9	Very low	67 Å²	67	152.2 Å²	152.2	69%	0.691	84%	0.84	S	S	*	*			trans	-74.3	112.3	170.9	0	0	0	0	0	110.5	L7 T11	L7-G9 PolarHBondContact O-N 3.43Å; L7-G9 VanDerWaalsContact O-N 3.15Å; G9-T11 PolarHBondContact O-N 3.15Å
10	A	34.4	Very low	38.8	Very low	94 Å²	94	150.1 Å²	150.1	78%	0.777	84%	0.836	S	S	*	*			trans	-62.2	124.6	170.4	0	0	0	0	0	110.7	V8	V8-A10 PolarHBondContact O-N 3.1Å
11	T	36.8	Very low	39.9	Very low	141 Å²	141	149.7 Å²	149.7	87%	0.865	83%	0.828	S	S	*	*			trans	-92.6	106.1	163.5	33.4	0	0	0	0	108.6	G9 S13	G9-T11 PolarHBondContact O-N 3.15Å; T11-S13 PolarHBondContact O-N 3.39Å; T11-S13 VanDerWaalsContact O-N 3.1Å
12	L	35.6	Very low	41.7	Very low	171 Å²	171	147.5 Å²	147.5	90%	0.895	82%	0.815	S	S	*	*			trans	-58.8	105.4	168.4	-88.8	137.4	0	0	0	109.5	K14	L12-K14 PolarHBondContact O-N 3.37Å
13	S	40.5	Very low	43.9	Very low	104 Å²	104	142.5 Å²	142.5	73%	0.727	78%	0.784	S	S	*	*			trans	-66.3	120.9	160.9	-178.6	0	0	0	0	107.8	T11 T15	T11-S13 PolarHBondContact O-N 3.39Å; T11-S13 VanDerWaalsContact O-N 3.1Å; S13-T15 PolarHBondContact O-N 3.1Å
14	K	39.4	Very low	45.9	Very low	197 Å²	197	146.1 Å²	146.1	86%	0.857	79%	0.785	S	S	*	*			trans	-62	103.4	171.8	-75.9	179.1	176.4	176.1	0	108	L12 D16	L12-K14 PolarHBondContact O-N 3.37Å; K14-D16 PolarHBondContact O-N 2.98Å; K14-D16 VanDerWaalsContact O-N 3.1Å
15	T	44.3	Very low	48.3	Very low	132 Å²	132	139.6 Å²	139.6	81%	0.81	77%	0.766	S	S	*	*			trans	-63.2	108.7	161.7	-4.5	0	0	0	0	106.9	S13 S17	S13-T15 PolarHBondContact O-N 3.1Å; T15-S17 PolarHBondContact O-N 2.89Å
16	D	40.4	Very low	50.3	Low	156 Å²	156	137.6 Å²	137.6	83%	0.834	75%	0.745	S	S	*	*			trans	-53.7	104.6	167	-106.8	-32	0	0	0	107.9	K14 K18	K14-D16 PolarHBondContact O-N 2.98Å; K14-D16 VanDerWaalsContact O-N 3.1Å; D16-K18 VanDerWaalsContact C-N 3.27Å; D16-K18 PolarHBondContact O-N 2.91Å
17	S	45.4	Very low	52.7	Low	108 Å²	108	131.6 Å²	131.6	76%	0.755	74%	0.737	S	S	*	*			trans	-68.3	93.8	168.7	48.1	0	0	0	0	106.6	T15 K19	T15-S17 PolarHBondContact O-N 2.89Å; S17-K19 VanDerWaalsContact C-N 3.31Å; S17-K19 PolarHBondContact O-N 2.93Å
18	K	46.7	Very low	55.4	Low	203 Å²	203	127.1 Å²	127.1	88%	0.883	72%	0.719	S	S	*	*			trans	-50.4	101.6	164.9	-88.5	-178.3	175.7	175.3	0	107	D16 S20	D16-K18 VanDerWaalsContact C-N 3.27Å; D16-K18 PolarHBondContact O-N 2.91Å; K18-S20 PolarHBondContact O-N 3.03Å
19	K	47.6	Very low	58.2	Low	196 Å²	196	122.7 Å²	122.7	85%	0.852	69%	0.693	S	S	*	*			trans	-47.3	117.7	168.5	-93.4	179.9	173.3	176.8	0	106.6	S17 Q21	S17-K19 VanDerWaalsContact C-N 3.31Å; S17-K19 PolarHBondContact O-N 2.93Å; K19-Q21 PolarHBondContact O-N 2.77Å
20	S	56.7	Low	61	Low	110 Å²	110	119.8 Å²	119.8	77%	0.769	66%	0.662	S	S	*	*			trans	-57.7	110.2	170.2	63.4	0	0	0	0	107	K18 K22	K18-S20 PolarHBondContact O-N 3.03Å; S20-K22 PolarHBondContact O-N 3.25Å
21	Q	61.6	Low	63.9	Low	142 Å²	142	121.6 Å²	121.6	66%	0.664	66%	0.655	S	S	*	*			trans	-63.9	104.1	173.1	-84.2	-178.3	-23.9	0	0	107.5	K19 V23	K19-Q21 PolarHBondContact O-N 2.77Å; Q21-V23 PolarHBondContact O-N 3.43Å
22	K	73.7	Confident	66.7	Low	201 Å²	201	119 Å²	119	87%	0.874	64%	0.635	S	S	*	*			trans	-73.1	108.7	173.4	-164	177.8	-178	-175.1	0	107.1	S20	S20-K22 PolarHBondContact O-N 3.25Å
23	V	75.8	Confident	69.6	Low	42 Å²	42	112.3 Å²	112.3	26%	0.255	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-81.6	123.5	172	-179.7	0	0	0	0	107.4	Q21 W46 K47 V50 K51	Q21-V23 PolarHBondContact O-N 3.43Å; V23-W46 HydrophobicContact CG2-CH2 4.15Å; V23-W46 HydrophobicContact CG2-CZ3 4.31Å; V23-K47 HydrophobicContact CG2-CB 4.06Å; V23-K47 HydrophobicContact CG2-CD 4.03Å; V23-K47 HydrophobicContact CG2-CG 3.87Å; V23-V50 HydrophobicContact CB-CG1 4.47Å; V23-V50 HydrophobicContact CG1-CG1 4.35Å; V23-K51 HydrophobicContact CG1-CB 4.12Å
24	E	79.1	Confident	72.2	Confident	171 Å²	171	110.8 Å²	110.8	80%	0.799	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-87.1	123	179.9	-164.8	166.2	-156	0	0	109.8
25	A	81.2	Confident	74.8	Confident	49 Å²	49	106.8 Å²	106.8	41%	0.405	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-71	131.9	177.3	0	0	0	0	0	109.8	V50	A25-V50 WeakPolarHBondContact CB-O 3.27Å
26	Q	80.4	Confident	77.2	Confident	77 Å²	77	106.7 Å²	106.7	36%	0.36	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-93.6	134	173.3	-76.4	-175	15.4	0	0	109.5	K51 R55	Q26-K51 PolarHBondContact N-O 2.97Å; Q26-R55 HydrophobicContact CB-CG 3.9Å; Q26-R55 WeakPolarHBondContact O-CG 3.47Å; Q26-R55 VanDerWaalsContact OE1-NE 3.12Å
27	S	82.1	Confident	79.9	Confident	95 Å²	95	102 Å²	102	66%	0.664	54%	0.537	S	S	*	.			trans	-111.3	-8.7	-173.5	61.1	0	0	0	0	114.6
28	S	91.2	Very high	82.3	Confident	68 Å²	68	99.3 Å²	99.3	48%	0.476	53%	0.526	S	S	.	.	S	Bend	trans	-76.9	141.8	177.8	52.1	0	0	0	0	111.1	R55	S28-R55 WeakPolarHBondContact O-CG 3.46Å
29	P	93.8	Very high	84.6	Confident	53 Å²	53	92.4 Å²	92.4	34%	0.344	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-54.5	152.3	169.6	-24.8	35.2	0	0	0	111.8	Y56 A58	P29-Y56 CarbonylContact C-O 3.54Å; P29-Y56 VanDerWaalsContact CA-O 3.29Å; P29-Y56 WeakPolarHBondContact CA-O 3.42Å; P29-Y56 HydrophobicContact CB-CE2 4.19Å; P29-Y56 HydrophobicContact CG-CE1 4.19Å; P29-Y56 HydrophobicContact CG-CE2 4.11Å; P29-A58 HydrophobicContact CB-CB 3.96Å
30	A	94.8	Very high	87	Confident	5 Å²	5	87.9 Å²	87.9	4%	0.041	49%	0.487	C	S	.	.	B	Isolated β-bridge	trans	-96.4	154.6	173.7	0	0	0	0	0	111.1	L32 Y56 C57 A58	A30-L32 VanDerWaalsContact C-N 3.35Å; A30-Y56 PolarHBondContact N-O 2.94Å; A30-C57 CarbonylContact O-C 3.5Å; A30-C57 VanDerWaalsContact O-CA 3.27Å; A30-C57 WeakPolarHBondContact O-CA 3.49Å; A30-A58 PolarHBondContact O-N 3.4Å
31	E	95.1	Very high	88.8	Confident	132 Å²	132	86.4 Å²	86.4	62%	0.617	47%	0.473	S	S	*	.	S	Bend	trans	-73	-30.2	173.9	-63.1	-57.1	128.2	0	0	112.5	C57 H59	E31-C57 PolarHBondContact O-SG 3.08Å; E31-C57 VanDerWaalsContact O-SG 3.41Å; E31-H59 IonicContact OE2-NE2 2.87Å
32	L	95.7	Very high	90.5	Very high	86 Å²	86	86.9 Å²	86.9	45%	0.45	49%	0.486	S	S	.	.	S	Bend	trans	-114.6	151.2	-175.4	-63.2	-179.9	0	0	0	111.6	A30 E36 R37	A30-L32 VanDerWaalsContact C-N 3.35Å; L32-E36 HydrophobicContact CB-CB 4.02Å; L32-E36 HydrophobicContact CD1-CB 4.45Å; L32-R37 HydrophobicContact CB-CG 3.87Å; L32-R37 PolarHBondContact O-NE 3.04Å; L32-R37 VanDerWaalsContact O-NE 3.15Å
33	S	95.4	Very high	91.6	Very high	32 Å²	32	83.1 Å²	83.1	22%	0.224	48%	0.476	C	S	.	.			trans	-64.2	164.8	174.9	67.5	0	0	0	0	112.5	L35 E36 R37	S33-L35 PolarHBondContact O-N 3.47Å; S33-E36 VanDerWaalsContact CB-OE2 3.28Å; S33-E36 WeakPolarHBondContact CB-OE2 3.18Å; S33-E36 PolarHBondContact N-OE2 2.92Å; S33-E36 PolarHBondContact O-N 3.02Å; S33-E36 WeakPolarHBondContact OG-CG 3.5Å; S33-E36 PolarHBondContact OG-N 3.28Å; S33-E36 PolarHBondContact OG-OE2 3.37Å; S33-R37 WeakPolarHBondContact O-CB 3.49Å; S33-R37 VanDerWaalsContact O-CG 3.31Å; S33-R37 WeakPolarHBondContact O-CG 3.44Å; S33-R37 PolarHBondContact O-N 2.99Å; S33-R37 PolarHBondContact O-NE 3.33Å
34	V	95.3	Very high	92.5	Very high	71 Å²	71	84.6 Å²	84.6	43%	0.43	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.2	173.4	-64.4	0	0	0	0	112.4	G38 L39 V40	V34-G38 PolarHBondContact O-N 2.98Å; V34-L39 HydrophobicContact CB-CB 4.24Å; V34-L39 HydrophobicContact CB-CD1 4.46Å; V34-L39 HydrophobicContact CG1-CD1 4.28Å; V34-L39 WeakPolarHBondContact O-CB 3.24Å; V34-L39 PolarHBondContact O-N 3.02Å; V34-V40 HydrophobicContact CB-CG2 4.42Å; V34-V40 HydrophobicContact CG2-CG2 3.98Å
35	L	94.7	Very high	93.2	Very high	114 Å²	114	80.9 Å²	80.9	60%	0.597	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-51.3	176.3	-66.5	169.2	0	0	0	110.9	S33 R37 G38 V40	S33-L35 PolarHBondContact O-N 3.47Å; L35-R37 PolarHBondContact O-N 3.38Å; L35-G38 PolarHBondContact O-N 3.31Å; L35-V40 HydrophobicContact CD2-CB 4.13Å; L35-V40 HydrophobicContact CD2-CG2 3.72Å; L35-V40 HydrophobicContact CG-CG2 4.45Å
36	E	95.8	Very high	93.9	Very high	130 Å²	130	85.8 Å²	85.8	61%	0.607	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.2	179.3	-69	159.7	137.5	0	0	112.6	L32 S33 G38	L32-E36 HydrophobicContact CB-CB 4.02Å; L32-E36 HydrophobicContact CD1-CB 4.45Å; S33-E36 VanDerWaalsContact CB-OE2 3.28Å; S33-E36 WeakPolarHBondContact CB-OE2 3.18Å; S33-E36 PolarHBondContact N-OE2 2.92Å; S33-E36 PolarHBondContact O-N 3.02Å; S33-E36 WeakPolarHBondContact OG-CG 3.5Å; S33-E36 PolarHBondContact OG-N 3.28Å; S33-E36 PolarHBondContact OG-OE2 3.37Å; E36-G38 VanDerWaalsContact C-N 3.31Å
37	R	95.8	Very high	94.6	Very high	58 Å²	58	85.7 Å²	85.7	22%	0.219	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-1.2	173.1	-68.7	-175	-68.4	160	-1.9	114	L32 S33 L35 L39 E52 R55	L32-R37 HydrophobicContact CB-CG 3.87Å; L32-R37 PolarHBondContact O-NE 3.04Å; L32-R37 VanDerWaalsContact O-NE 3.15Å; S33-R37 WeakPolarHBondContact O-CB 3.49Å; S33-R37 VanDerWaalsContact O-CG 3.31Å; S33-R37 WeakPolarHBondContact O-CG 3.44Å; S33-R37 PolarHBondContact O-N 2.99Å; S33-R37 PolarHBondContact O-NE 3.33Å; L35-R37 PolarHBondContact O-N 3.38Å; R37-L39 VanDerWaalsContact C-N 3.29Å; R37-L39 HydrophobicContact CB-CD1 4.06Å; R37-L39 HydrophobicContact CB-CG 3.89Å; R37-L39 PolarHBondContact O-N 3.29Å; R37-E52 IonicContact CZ-OE2 3.66Å; R37-E52 IonicContact NH1-OE2 2.73Å; R37-E52 PolarHBondContact NH1-OE2 2.73Å; R37-R55 PolarHBondContact NH2-O 3.15Å
38	G	95.9	Very high	95.1	Very high	51 Å²	51	84.9 Å²	84.9	53%	0.526	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	29.8	179.9	0	0	0	0	0	114	V34 L35 E36 V41	V34-G38 PolarHBondContact O-N 2.98Å; L35-G38 PolarHBondContact O-N 3.31Å; E36-G38 VanDerWaalsContact C-N 3.31Å; G38-V41 WeakPolarHBondContact O-CG1 3.26Å
39	L	96.1	Very high	95.3	Very high	58 Å²	58	86 Å²	86	30%	0.304	46%	0.462	S	S	.	.			trans	-89.5	-12.1	-177.6	-61.6	177.1	0	0	0	113.3	V34 R37 V41 E52	V34-L39 HydrophobicContact CB-CB 4.24Å; V34-L39 HydrophobicContact CB-CD1 4.46Å; V34-L39 HydrophobicContact CG1-CD1 4.28Å; V34-L39 WeakPolarHBondContact O-CB 3.24Å; V34-L39 PolarHBondContact O-N 3.02Å; R37-L39 VanDerWaalsContact C-N 3.29Å; R37-L39 HydrophobicContact CB-CD1 4.06Å; R37-L39 HydrophobicContact CB-CG 3.89Å; R37-L39 PolarHBondContact O-N 3.29Å; L39-V41 PolarHBondContact O-N 3.36Å; L39-E52 HydrophobicContact CD1-CB 4.17Å; L39-E52 HydrophobicContact CD1-CG 4.03Å; L39-E52 HydrophobicContact CD2-CG 4.41Å
40	V	96.2	Very high	95.4	Very high	100 Å²	100	86.2 Å²	86.2	61%	0.606	46%	0.462	S	S	*	.			trans	-88.4	90.3	175.5	-175.5	0	0	0	0	108.3	V34 L35	V34-V40 HydrophobicContact CB-CG2 4.42Å; V34-V40 HydrophobicContact CG2-CG2 3.98Å; L35-V40 HydrophobicContact CD2-CB 4.13Å; L35-V40 HydrophobicContact CD2-CG2 3.72Å; L35-V40 HydrophobicContact CG-CG2 4.45Å
41	V	96.4	Very high	95.4	Very high	79 Å²	79	89.6 Å²	89.6	48%	0.479	48%	0.476	S	S	.	.			trans	-129.1	160.5	-176.6	-61.7	0	0	0	0	110.7	G38 L39 V44	G38-V41 WeakPolarHBondContact O-CG1 3.26Å; L39-V41 PolarHBondContact O-N 3.36Å; V41-V44 HydrophobicContact CG2-CG2 4.03Å; V41-V44 WeakPolarHBondContact O-CG2 3.22Å
42	T	96.7	Very high	95.4	Very high	152 Å²	152	84.7 Å²	84.7	93%	0.933	45%	0.453	S	S	*	.	S	Bend	trans	-79.8	-35.8	178.5	53.2	0	0	0	0	112.8	V44	T42-V44 PolarHBondContact O-N 2.89Å
43	D	95.8	Very high	95.4	Very high	123 Å²	123	86.8 Å²	86.8	66%	0.658	46%	0.46	S	S	*	.	S	Bend	trans	-97.2	76.7	179.2	-173.6	14.8	0	0	0	110.3	Q45	D43-Q45 PolarHBondContact OD1-NE2 2.87Å
44	V	95.1	Very high	95.3	Very high	72 Å²	72	90.7 Å²	90.7	44%	0.436	47%	0.473	S	S	.	.			trans	-82.2	130	-175	-175.8	0	0	0	0	111	V41 T42 I49	V41-V44 HydrophobicContact CG2-CG2 4.03Å; V41-V44 WeakPolarHBondContact O-CG2 3.22Å; T42-V44 PolarHBondContact O-N 2.89Å; V44-I49 HydrophobicContact CG1-CD1 3.64Å; V44-I49 HydrophobicContact CG1-CG1 3.6Å
45	Q	94.9	Very high	95.3	Very high	93 Å²	93	89.7 Å²	89.7	44%	0.435	46%	0.462	S	S	.	.			trans	-91.3	131.9	171.8	-56.8	-61.3	-48.4	0	0	110.6	D43 K47 D48 I49	D43-Q45 PolarHBondContact OD1-NE2 2.87Å; Q45-K47 PolarHBondContact O-N 2.98Å; Q45-K47 VanDerWaalsContact O-N 3.08Å; Q45-D48 WeakPolarHBondContact CB-OD2 3.27Å; Q45-D48 WeakPolarHBondContact O-CB 3.5Å; Q45-D48 PolarHBondContact O-N 3.22Å; Q45-I49 PolarHBondContact O-N 2.83Å
46	W	95.2	Very high	95.3	Very high	152 Å²	152	88.4 Å²	88.4	58%	0.576	45%	0.449	S	S	*	.	H	α-helix	trans	-56.7	-31.1	179.7	72.4	-95.7	0	0	0	113	V23 D48 I49 V50	V23-W46 HydrophobicContact CG2-CH2 4.15Å; V23-W46 HydrophobicContact CG2-CZ3 4.31Å; W46-D48 VanDerWaalsContact C-N 3.31Å; W46-D48 PolarHBondContact O-N 3.15Å; W46-I49 PolarHBondContact O-N 3.21Å; W46-V50 HydrophobicContact CE3-CG2 3.89Å; W46-V50 HydrophobicContact CZ3-CG2 4.18Å; W46-V50 WeakPolarHBondContact O-CG2 3.41Å; W46-V50 PolarHBondContact O-N 3.34Å
47	K	94.7	Very high	95.3	Very high	75 Å²	75	83.4 Å²	83.4	33%	0.326	43%	0.428	S	S	.	.	H	α-helix	trans	-63.9	-38.1	178.2	-63	-173.3	-177.8	175	0	111.6	V23 Q45 K51	V23-K47 HydrophobicContact CG2-CB 4.06Å; V23-K47 HydrophobicContact CG2-CD 4.03Å; V23-K47 HydrophobicContact CG2-CG 3.87Å; Q45-K47 PolarHBondContact O-N 2.98Å; Q45-K47 VanDerWaalsContact O-N 3.08Å; K47-K51 VanDerWaalsContact O-CB 3.24Å; K47-K51 WeakPolarHBondContact O-CB 3.28Å; K47-K51 PolarHBondContact O-N 3.3Å
48	D	93.4	Very high	95.2	Very high	78 Å²	78	82.8 Å²	82.8	42%	0.417	44%	0.436	S	S	.	.	H	α-helix	trans	-70.1	-38.3	178.4	-63	-33.8	0	0	0	110.4	Q45 W46 K51 E52	Q45-D48 WeakPolarHBondContact CB-OD2 3.27Å; Q45-D48 WeakPolarHBondContact O-CB 3.5Å; Q45-D48 PolarHBondContact O-N 3.22Å; W46-D48 VanDerWaalsContact C-N 3.31Å; W46-D48 PolarHBondContact O-N 3.15Å; D48-K51 PolarHBondContact O-N 2.67Å; D48-E52 WeakPolarHBondContact O-CB 3.28Å; D48-E52 VanDerWaalsContact O-CG 3.26Å; D48-E52 WeakPolarHBondContact O-CG 3.38Å; D48-E52 PolarHBondContact O-N 2.85Å
49	I	95.2	Very high	95.1	Very high	93 Å²	93	86.5 Å²	86.5	48%	0.477	44%	0.439	S	S	.	.	H	α-helix	trans	-59	-55.1	173	-59.6	174.3	0	0	0	110.3	V44 Q45 W46 K51 E52 E53	V44-I49 HydrophobicContact CG1-CD1 3.64Å; V44-I49 HydrophobicContact CG1-CG1 3.6Å; Q45-I49 PolarHBondContact O-N 2.83Å; W46-I49 PolarHBondContact O-N 3.21Å; I49-K51 PolarHBondContact O-N 3.41Å; I49-E52 PolarHBondContact O-N 3.39Å; I49-E52 VanDerWaalsContact O-N 3.15Å; I49-E53 VanDerWaalsContact O-CB 3.28Å; I49-E53 WeakPolarHBondContact O-CB 3.31Å; I49-E53 WeakPolarHBondContact O-CG 3.42Å; I49-E53 PolarHBondContact O-N 3.34Å
50	V	95.5	Very high	94.9	Very high	56 Å²	56	86.2 Å²	86.2	34%	0.339	44%	0.437	S	S	.	.	H	α-helix	trans	-59.5	-35.2	-178.1	171.6	0	0	0	0	111.8	V23 A25 W46	V23-V50 HydrophobicContact CB-CG1 4.47Å; V23-V50 HydrophobicContact CG1-CG1 4.35Å; A25-V50 WeakPolarHBondContact CB-O 3.27Å; W46-V50 HydrophobicContact CE3-CG2 3.89Å; W46-V50 HydrophobicContact CZ3-CG2 4.18Å; W46-V50 WeakPolarHBondContact O-CG2 3.41Å; W46-V50 PolarHBondContact O-N 3.34Å
51	K	94.7	Very high	94.6	Very high	77 Å²	77	88.8 Å²	88.8	34%	0.335	44%	0.44	S	S	.	.	H	α-helix	trans	-73.1	-39	178.4	-177.9	-177	169.5	-168.3	0	112.6	V23 Q26 K47 D48 I49	V23-K51 HydrophobicContact CG1-CB 4.12Å; Q26-K51 PolarHBondContact N-O 2.97Å; K47-K51 VanDerWaalsContact O-CB 3.24Å; K47-K51 WeakPolarHBondContact O-CB 3.28Å; K47-K51 PolarHBondContact O-N 3.3Å; D48-K51 PolarHBondContact O-N 2.67Å; I49-K51 PolarHBondContact O-N 3.41Å
52	E	95.4	Very high	94.4	Very high	28 Å²	28	88.6 Å²	88.6	13%	0.131	43%	0.433	C	S	.	.	H	α-helix	trans	-106.4	-14.6	-166.2	-59.4	-67.5	149.1	0	0	114.6	R37 L39 D48 I49 K54 R55	R37-E52 IonicContact CZ-OE2 3.66Å; R37-E52 IonicContact NH1-OE2 2.73Å; R37-E52 PolarHBondContact NH1-OE2 2.73Å; L39-E52 HydrophobicContact CD1-CB 4.17Å; L39-E52 HydrophobicContact CD1-CG 4.03Å; L39-E52 HydrophobicContact CD2-CG 4.41Å; D48-E52 WeakPolarHBondContact O-CB 3.28Å; D48-E52 VanDerWaalsContact O-CG 3.26Å; D48-E52 WeakPolarHBondContact O-CG 3.38Å; D48-E52 PolarHBondContact O-N 2.85Å; I49-E52 PolarHBondContact O-N 3.39Å; I49-E52 VanDerWaalsContact O-N 3.15Å; E52-K54 PolarHBondContact O-N 2.79Å; E52-R55 VanDerWaalsContact CD-NH1 3.33Å; E52-R55 WeakPolarHBondContact O-CB 3.33Å; E52-R55 PolarHBondContact O-N 2.91Å; E52-R55 IonicContact OE1-NH1 2.68Å; E52-R55 PolarHBondContact OE1-NH1 2.81Å; E52-R55 VanDerWaalsContact OE2-CD 3.27Å; E52-R55 WeakPolarHBondContact OE2-CD 3.29Å; E52-R55 IonicContact OE2-CZ 2.71Å; E52-R55 IonicContact OE2-NE 3.56Å; E52-R55 IonicContact OE2-NH1 3.54Å; E52-R55 PolarHBondContact OE2-NH1 3.19Å
53	E	94.3	Very high	94.3	Very high	131 Å²	131	86.7 Å²	86.7	61%	0.612	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-32.9	-170.7	56.1	143.6	-148.4	0	0	114.7	I49	I49-E53 VanDerWaalsContact O-CB 3.28Å; I49-E53 WeakPolarHBondContact O-CB 3.31Å; I49-E53 WeakPolarHBondContact O-CG 3.42Å; I49-E53 PolarHBondContact O-N 3.34Å
54	K	94.3	Very high	94.3	Very high	113 Å²	113	86.9 Å²	86.9	49%	0.491	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-8.4	-179.7	-64.5	-179.5	-174.6	-179.7	0	113.5	E52 Y56	E52-K54 PolarHBondContact O-N 2.79Å; K54-Y56 WeakPolarHBondContact O-CD1 3.15Å; K54-Y56 PolarHBondContact O-N 3.07Å
55	R	95.1	Very high	94.3	Very high	51 Å²	51	92.6 Å²	92.6	19%	0.192	44%	0.439	C	S	.	.			trans	-93	65.6	-173	-56.6	-177.4	72.6	-163.5	8.2	111.9	Q26 S28 R37 E52	Q26-R55 HydrophobicContact CB-CG 3.9Å; Q26-R55 WeakPolarHBondContact O-CG 3.47Å; Q26-R55 VanDerWaalsContact OE1-NE 3.12Å; S28-R55 WeakPolarHBondContact O-CG 3.46Å; R37-R55 PolarHBondContact NH2-O 3.15Å; E52-R55 VanDerWaalsContact CD-NH1 3.33Å; E52-R55 WeakPolarHBondContact O-CB 3.33Å; E52-R55 PolarHBondContact O-N 2.91Å; E52-R55 IonicContact OE1-NH1 2.68Å; E52-R55 PolarHBondContact OE1-NH1 2.81Å; E52-R55 VanDerWaalsContact OE2-CD 3.27Å; E52-R55 WeakPolarHBondContact OE2-CD 3.29Å; E52-R55 IonicContact OE2-CZ 2.71Å; E52-R55 IonicContact OE2-NE 3.56Å; E52-R55 IonicContact OE2-NH1 3.54Å; E52-R55 PolarHBondContact OE2-NH1 3.19Å
56	Y	94.8	Very high	94.4	Very high	86 Å²	86	89.3 Å²	89.3	34%	0.337	43%	0.43	S	S	.	.			trans	-67.3	159.1	171.9	65.2	-86.7	0	0	0	111.2	P29 A30 K54 A58 I60 Q85 F86	P29-Y56 CarbonylContact C-O 3.54Å; P29-Y56 VanDerWaalsContact CA-O 3.29Å; P29-Y56 WeakPolarHBondContact CA-O 3.42Å; P29-Y56 HydrophobicContact CB-CE2 4.19Å; P29-Y56 HydrophobicContact CG-CE1 4.19Å; P29-Y56 HydrophobicContact CG-CE2 4.11Å; A30-Y56 PolarHBondContact N-O 2.94Å; K54-Y56 WeakPolarHBondContact O-CD1 3.15Å; K54-Y56 PolarHBondContact O-N 3.07Å; Y56-A58 PolarHBondContact O-N 3.18Å; Y56-I60 HydrophobicContact CE2-CD1 4.39Å; Y56-Q85 VanDerWaalsContact CE2-NE2 3.28Å; Y56-Q85 PolarHBondContact OH-NE2 2.84Å; Y56-Q85 VanDerWaalsContact OH-NE2 3.08Å; Y56-F86 HydrophobicContact CD1-CZ 4.18Å; Y56-F86 AromaticContact CD2-CE1 3.94Å; Y56-F86 HydrophobicContact CD2-CE1 3.94Å; Y56-F86 AromaticContact CD2-CZ 3.91Å; Y56-F86 HydrophobicContact CD2-CZ 3.91Å; Y56-F86 HydrophobicContact CG-CE1 4.15Å; Y56-F86 AromaticContact CG-CZ 3.75Å; Y56-F86 HydrophobicContact CG-CZ 3.75Å
57	C	95.8	Very high	94.4	Very high	25 Å²	25	87.4 Å²	87.4	17%	0.169	44%	0.437	C	S	.	.	B	Isolated β-bridge	trans	-70.8	127.8	176.7	178.1	0	0	0	0	111.1	A30 E31 H59	A30-C57 CarbonylContact O-C 3.5Å; A30-C57 VanDerWaalsContact O-CA 3.27Å; A30-C57 WeakPolarHBondContact O-CA 3.49Å; E31-C57 PolarHBondContact O-SG 3.08Å; E31-C57 VanDerWaalsContact O-SG 3.41Å; C57-H59 PolarHBondContact O-N 3.02Å; C57-H59 PolarHBondContact SG-N 3.01Å; C57-H59 VanDerWaalsContact SG-N 3.42Å
58	A	94.5	Very high	94.6	Very high	45 Å²	45	86 Å²	86	37%	0.372	43%	0.434	S	S	.	.	S	Bend	trans	-57.4	-33.5	178	0	0	0	0	0	112.1	P29 A30 Y56 I60	P29-A58 HydrophobicContact CB-CB 3.96Å; A30-A58 PolarHBondContact O-N 3.4Å; Y56-A58 PolarHBondContact O-N 3.18Å; A58-I60 PolarHBondContact O-N 2.83Å; A58-I60 VanDerWaalsContact O-N 3.15Å
59	H	92.8	Very high	94.8	Very high	130 Å²	130	84.5 Å²	84.5	60%	0.602	43%	0.426	S	S	*	.	S	Bend	trans	-86	79	175.8	-54.9	-53.8	0	0	0	111.2	E31 C57 K61	E31-H59 IonicContact OE2-NE2 2.87Å; C57-H59 PolarHBondContact O-N 3.02Å; C57-H59 PolarHBondContact SG-N 3.01Å; C57-H59 VanDerWaalsContact SG-N 3.42Å; H59-K61 PolarHBondContact O-N 3.21Å
60	I	91.8	Very high	95	Very high	51 Å²	51	80.8 Å²	80.8	26%	0.262	41%	0.411	S	S	.	.			trans	-66.1	105.5	-179.2	-58.2	179.8	0	0	0	110.4	Y56 A58 Q85 F86 S88 K89	Y56-I60 HydrophobicContact CE2-CD1 4.39Å; A58-I60 PolarHBondContact O-N 2.83Å; A58-I60 VanDerWaalsContact O-N 3.15Å; I60-Q85 HydrophobicContact CD1-CG 4.12Å; I60-Q85 VanDerWaalsContact CD1-O 3.3Å; I60-Q85 WeakPolarHBondContact CD1-O 3.03Å; I60-F86 HydrophobicContact CD1-CD1 3.81Å; I60-F86 HydrophobicContact CD1-CE1 3.78Å; I60-F86 HydrophobicContact CG1-CD1 4.3Å; I60-F86 HydrophobicContact CG1-CE1 4.18Å; I60-F86 HydrophobicContact CG2-CD1 3.98Å; I60-S88 WeakPolarHBondContact CG2-OG 3.42Å; I60-K89 HydrophobicContact CG2-CD 4.21Å; I60-K89 HydrophobicContact CG2-CG 4.22Å
61	K	90.4	Very high	95.1	Very high	154 Å²	154	81.8 Å²	81.8	67%	0.67	41%	0.409	S	S	*	.			trans	-120.7	140.9	176.5	-174.5	179.5	177	-176.4	0	111.5	H59 T63 K89	H59-K61 PolarHBondContact O-N 3.21Å; K61-T63 PolarHBondContact O-N 3.16Å; K61-K89 WeakPolarHBondContact O-CE 3.44Å; K61-K89 PolarHBondContact O-NZ 2.94Å
62	K	92.6	Very high	95.3	Very high	76 Å²	76	78.6 Å²	78.6	33%	0.33	40%	0.396	S	S	.	.			trans	-73.1	121.1	167	-164.9	-172.8	-172.7	-149.4	0	109	F64 E65 G66 K89	K62-F64 WeakPolarHBondContact CD-O 3.41Å; K62-F64 WeakPolarHBondContact CE-O 3.48Å; K62-F64 WeakPolarHBondContact CG-O 3.39Å; K62-F64 PolarHBondContact NZ-O 3.39Å; K62-E65 PolarHBondContact NZ-O 3.42Å; K62-G66 PolarHBondContact NZ-O 3.24Å; K62-K89 WeakPolarHBondContact CE-O 3.47Å
63	T	93.8	Very high	95.3	Very high	112 Å²	112	78.6 Å²	78.6	69%	0.687	40%	0.398	S	S	*	.			trans	-109.2	-19.3	179.7	51.1	0	0	0	0	112.7	K61	K61-T63 PolarHBondContact O-N 3.16Å
64	F	96	Very high	95.1	Very high	126 Å²	126	74.5 Å²	74.5	55%	0.553	38%	0.383	S	S	*	.			trans	-90.3	127.9	173	-178.6	-107.1	0	0	0	109.8	K62 G66 V68	K62-F64 WeakPolarHBondContact CD-O 3.41Å; K62-F64 WeakPolarHBondContact CE-O 3.48Å; K62-F64 WeakPolarHBondContact CG-O 3.39Å; K62-F64 PolarHBondContact NZ-O 3.39Å; F64-G66 WeakPolarHBondContact CD1-O 3.4Å; F64-G66 VanDerWaalsContact CE1-C 3.44Å; F64-V68 HydrophobicContact CD1-CG2 3.54Å; F64-V68 HydrophobicContact CE1-CG2 4.09Å
65	E	95.3	Very high	95.1	Very high	192 Å²	192	78.5 Å²	78.5	90%	0.897	40%	0.395	S	S	*	.			trans	-77.5	-36.3	-174.2	-62.6	-173.1	159.1	0	0	112.2	K62	K62-E65 PolarHBondContact NZ-O 3.42Å
66	G	96.4	Very high	95.1	Very high	24 Å²	24	80.4 Å²	80.4	25%	0.247	41%	0.409	C	S	.	.	S	Bend	trans	-68.2	175.5	-176.8	0	0	0	0	0	115.5	K62 F64	K62-G66 PolarHBondContact NZ-O 3.24Å; F64-G66 WeakPolarHBondContact CD1-O 3.4Å; F64-G66 VanDerWaalsContact CE1-C 3.44Å
67	P	96.9	Very high	95	Very high	113 Å²	113	80.4 Å²	80.4	73%	0.734	42%	0.421	S	S	*	.			trans	-65.8	144.9	174.3	28.7	-33.8	0	0	0	111.1	S91	P67-S91 WeakPolarHBondContact CA-OG 3.3Å
68	V	98	Very high	95	Very high	44 Å²	44	84.5 Å²	84.5	27%	0.267	44%	0.438	S	S	.	.			trans	-133.3	108.4	178	-174.9	0	0	0	0	108.1	F64 L90 S91 S92	F64-V68 HydrophobicContact CD1-CG2 3.54Å; F64-V68 HydrophobicContact CE1-CG2 4.09Å; V68-L90 HydrophobicContact CB-CD2 4.47Å; V68-L90 HydrophobicContact CG1-CD2 3.75Å; V68-S91 PolarHBondContact N-OG 3.47Å; V68-S91 PolarHBondContact O-N 3.31Å; V68-S91 PolarHBondContact O-OG 3.4Å; V68-S92 PolarHBondContact O-N 3.42Å
69	L	98.5	Very high	95.1	Very high	48 Å²	48	83.1 Å²	83.1	25%	0.251	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.1	173.2	-177.2	67	0	0	0	109.4	Y71 S92 V134 T177 I211	L69-Y71 HydrophobicContact CD2-CE2 4Å; L69-S92 WeakPolarHBondContact CA-O 3.46Å; L69-S92 VanDerWaalsContact CD1-OG 3.26Å; L69-S92 WeakPolarHBondContact CD1-OG 3.46Å; L69-V134 HydrophobicContact CD1-CG2 3.72Å; L69-T177 HydrophobicContact CD2-CG2 4.48Å; L69-I211 HydrophobicContact CD1-CD1 4.09Å; L69-I211 HydrophobicContact CD2-CD1 4.33Å; L69-I211 HydrophobicContact CD2-CG2 4.33Å
70	G	98.1	Very high	95.3	Very high	15 Å²	15	78.8 Å²	78.8	16%	0.155	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.1	174	0	0	0	0	0	112.2	S92 V93 S94	G70-S92 PolarHBondContact N-O 3.24Å; G70-V93 CarbonylContact O-C 3.57Å; G70-V93 WeakPolarHBondContact O-CA 3.49Å; G70-S94 PolarHBondContact O-N 3.34Å
71	Y	98.3	Very high	95.5	Very high	77 Å²	77	80 Å²	80	30%	0.302	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	136.3	171.5	-76.2	-85.4	0	0	0	111.6	L69 S94 V96 R136 T177 V213 S243	L69-Y71 HydrophobicContact CD2-CE2 4Å; Y71-S94 WeakPolarHBondContact CA-O 3.38Å; Y71-V96 HydrophobicContact CD1-CG2 3.82Å; Y71-R136 HydrophobicContact CE1-CB 4.27Å; Y71-R136 HydrophobicContact CE1-CG 4.21Å; Y71-T177 HydrophobicContact CE1-CG2 4.28Å; Y71-T177 VanDerWaalsContact OH-CG2 3.3Å; Y71-T177 WeakPolarHBondContact OH-CG2 3.48Å; Y71-V213 WeakPolarHBondContact OH-CG2 3.49Å; Y71-S243 WeakPolarHBondContact CE2-OG 3.27Å; Y71-S243 WeakPolarHBondContact OH-CB 3.2Å; Y71-S243 PolarHBondContact OH-OG 2.91Å
72	I	97.8	Very high	95.8	Very high	9 Å²	9	75.7 Å²	75.7	5%	0.046	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122	-179.6	-51	-63.8	0	0	0	109.3	G79 Y80 A83 V93 S94 P95 V96 W120	I72-G79 WeakPolarHBondContact CD1-O 3.43Å; I72-Y80 HydrophobicContact CG2-CD1 4.26Å; I72-Y80 HydrophobicContact CG2-CD2 3.6Å; I72-Y80 HydrophobicContact CG2-CE1 4.28Å; I72-Y80 HydrophobicContact CG2-CE2 3.61Å; I72-Y80 HydrophobicContact CG2-CG 3.94Å; I72-A83 HydrophobicContact CD1-CB 3.82Å; I72-A83 HydrophobicContact CG1-CB 4.4Å; I72-V93 HydrophobicContact CB-CG1 4.44Å; I72-V93 HydrophobicContact CD1-CG1 4.24Å; I72-V93 HydrophobicContact CG1-CG1 3.33Å; I72-S94 PolarHBondContact N-O 3.45Å; I72-P95 CarbonylContact O-C 3.42Å; I72-P95 WeakPolarHBondContact O-CA 3.4Å; I72-V96 PolarHBondContact O-N 3.31Å; I72-W120 HydrophobicContact CB-CH2 4.48Å; I72-W120 HydrophobicContact CB-CZ2 4.45Å; I72-W120 HydrophobicContact CG1-CH2 4.22Å; I72-W120 HydrophobicContact CG1-CZ2 4.06Å; I72-W120 HydrophobicContact CG2-CH2 4.46Å; I72-W120 HydrophobicContact CG2-CZ2 4.1Å
73	T	95.5	Very high	96	Very high	29 Å²	29	72 Å²	72	18%	0.178	38%	0.382	C	S	.	.			trans	-115	135.7	-172.1	57.5	0	0	0	0	111.6	W75 N76 V96	T73-W75 VanDerWaalsContact C-N 3.27Å; T73-W75 VanDerWaalsContact CB-CE2 3.45Å; T73-W75 HydrophobicContact CG2-CD2 4.49Å; T73-W75 HydrophobicContact CG2-CH2 3.95Å; T73-W75 HydrophobicContact CG2-CZ2 3.39Å; T73-W75 PolarHBondContact O-N 3.08Å; T73-N76 CarbonylContact O-C 3.43Å; T73-N76 PolarHBondContact O-N 3.34Å; T73-N76 VanDerWaalsContact O-N 3.12Å; T73-N76 WeakPolarHBondContact OG1-CB 3.39Å; T73-V96 HydrophobicContact CG2-CB 4.07Å; T73-V96 HydrophobicContact CG2-CG2 3.88Å
74	P	91.8	Very high	96.1	Very high	45 Å²	45	70.5 Å²	70.5	29%	0.292	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-35.8	177.3	-27.7	35.6	0	0	0	114.5	N76 V96	P74-N76 VanDerWaalsContact C-N 3.26Å; P74-N76 PolarHBondContact O-N 3.48Å; P74-V96 WeakPolarHBondContact CD-O 3.45Å
75	W	93.3	Very high	96	Very high	196 Å²	196	67.5 Å²	67.5	74%	0.742	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.5	-178.7	56.6	85.5	0	0	0	114.4	T73 V96	T73-W75 VanDerWaalsContact C-N 3.27Å; T73-W75 VanDerWaalsContact CB-CE2 3.45Å; T73-W75 HydrophobicContact CG2-CD2 4.49Å; T73-W75 HydrophobicContact CG2-CH2 3.95Å; T73-W75 HydrophobicContact CG2-CZ2 3.39Å; T73-W75 PolarHBondContact O-N 3.08Å; W75-V96 HydrophobicContact CH2-CB 4.32Å; W75-V96 HydrophobicContact CH2-CG1 3.63Å; W75-V96 HydrophobicContact CZ3-CG1 4.26Å
76	N	94.1	Very high	96	Very high	92 Å²	92	60.4 Å²	60.4	49%	0.492	32%	0.319	S	S	.	.			trans	-128.3	77	170.7	-166.7	-23.9	0	0	0	109.2	T73 P74 H78 G79	T73-N76 CarbonylContact O-C 3.43Å; T73-N76 PolarHBondContact O-N 3.34Å; T73-N76 VanDerWaalsContact O-N 3.12Å; T73-N76 WeakPolarHBondContact OG1-CB 3.39Å; P74-N76 VanDerWaalsContact C-N 3.26Å; P74-N76 PolarHBondContact O-N 3.48Å; N76-H78 PolarHBondContact O-N 3.27Å; N76-G79 PolarHBondContact O-N 2.86Å
77	S	93.2	Very high	95.9	Very high	86 Å²	86	59.2 Å²	59.2	60%	0.601	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24	-172.4	59.6	0	0	0	0	113.8	G79 Y80	S77-G79 PolarHBondContact O-N 2.81Å; S77-G79 VanDerWaalsContact O-N 3.15Å; S77-Y80 WeakPolarHBondContact O-CB 3.36Å; S77-Y80 PolarHBondContact O-N 3.26Å
78	H	96.1	Very high	95.7	Very high	110 Å²	110	55.9 Å²	55.9	51%	0.509	29%	0.287	S	S	.	.	H	α-helix	trans	-58.2	-29.2	175.9	-169.2	50.9	0	0	0	112.6	N76 Y80 D81 I82	N76-H78 PolarHBondContact O-N 3.27Å; H78-Y80 PolarHBondContact O-N 3.46Å; H78-D81 PolarHBondContact O-N 2.91Å; H78-D81 VanDerWaalsContact O-N 3.1Å; H78-I82 WeakPolarHBondContact O-CG1 3.5Å; H78-I82 PolarHBondContact O-N 3.22Å
79	G	96.9	Very high	95.6	Very high	17 Å²	17	57 Å²	57	18%	0.175	29%	0.288	C	S	.	.	H	α-helix	trans	-56.2	-35.6	175	0	0	0	0	0	113.2	I72 N76 S77 D81 I82 A83	I72-G79 WeakPolarHBondContact CD1-O 3.43Å; N76-G79 PolarHBondContact O-N 2.86Å; S77-G79 PolarHBondContact O-N 2.81Å; S77-G79 VanDerWaalsContact O-N 3.15Å; G79-D81 VanDerWaalsContact C-N 3.33Å; G79-D81 PolarHBondContact O-N 3.34Å; G79-I82 PolarHBondContact O-N 2.77Å; G79-A83 WeakPolarHBondContact O-CB 3.46Å; G79-A83 PolarHBondContact O-N 3Å
80	Y	96.8	Very high	95.6	Very high	38 Å²	38	56 Å²	56	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-38.4	178.6	-71.4	-106.7	0	0	0	111.7	I72 S77 H78 K84 W97 W120	I72-Y80 HydrophobicContact CG2-CD1 4.26Å; I72-Y80 HydrophobicContact CG2-CD2 3.6Å; I72-Y80 HydrophobicContact CG2-CE1 4.28Å; I72-Y80 HydrophobicContact CG2-CE2 3.61Å; I72-Y80 HydrophobicContact CG2-CG 3.94Å; S77-Y80 WeakPolarHBondContact O-CB 3.36Å; S77-Y80 PolarHBondContact O-N 3.26Å; H78-Y80 PolarHBondContact O-N 3.46Å; Y80-K84 VanDerWaalsContact O-CE 3.28Å; Y80-K84 WeakPolarHBondContact O-CE 3.38Å; Y80-K84 WeakPolarHBondContact O-CG 3.33Å; Y80-K84 PolarHBondContact O-N 2.8Å; Y80-W97 AromaticContact CE1-CZ2 3.94Å; Y80-W97 HydrophobicContact CE1-CZ2 3.94Å; Y80-W97 AromaticContact CZ-NE1 3.98Å; Y80-W97 PolarHBondContact OH-NE1 3.43Å; Y80-W120 HydrophobicContact CD1-CB 4.49Å; Y80-W120 AromaticContact CD1-CD1 3.58Å; Y80-W120 AromaticContact CD1-CD2 3.68Å; Y80-W120 HydrophobicContact CD1-CD2 3.68Å; Y80-W120 AromaticContact CD1-CE2 3.58Å; Y80-W120 HydrophobicContact CD1-CE3 4.42Å; Y80-W120 AromaticContact CD1-CG 3.67Å; Y80-W120 HydrophobicContact CD1-CG 3.67Å; Y80-W120 HydrophobicContact CD1-CZ2 4.25Å; Y80-W120 AromaticContact CD1-NE1 3.51Å; Y80-W120 HydrophobicContact CE1-CD2 4.1Å; Y80-W120 HydrophobicContact CE1-CE3 4.41Å; Y80-W120 HydrophobicContact CE1-CG 4.35Å; Y80-W120 AromaticContact CG-NE1 3.93Å; Y80-W120 PolarHBondContact O-NE1 2.69Å; Y80-W120 VanDerWaalsContact O-NE1 3.1Å
81	D	95.9	Very high	95.5	Very high	78 Å²	78	57 Å²	57	42%	0.417	29%	0.287	S	S	.	.	H	α-helix	trans	-69.8	-44.9	175.8	-66.7	-37.3	0	0	0	111.7	H78 G79 A83 K84 Q85	H78-D81 PolarHBondContact O-N 2.91Å; H78-D81 VanDerWaalsContact O-N 3.1Å; G79-D81 VanDerWaalsContact C-N 3.33Å; G79-D81 PolarHBondContact O-N 3.34Å; D81-A83 VanDerWaalsContact C-N 3.32Å; D81-A83 PolarHBondContact O-N 2.99Å; D81-K84 PolarHBondContact O-N 3.02Å; D81-K84 VanDerWaalsContact OD1-CE 3.26Å; D81-K84 WeakPolarHBondContact OD1-CE 3.48Å; D81-K84 IonicContact OD1-NZ 2.92Å; D81-K84 PolarHBondContact OD1-NZ 3.15Å; D81-Q85 WeakPolarHBondContact O-CB 3.43Å; D81-Q85 PolarHBondContact O-N 3.25Å
82	I	96.5	Very high	95.6	Very high	62 Å²	62	53.9 Å²	53.9	32%	0.318	28%	0.277	S	S	.	.	H	α-helix	trans	-58.6	-42.9	176.1	-67.1	-60.9	0	0	0	111.2	H78 G79 K84 Q85 F86	H78-I82 WeakPolarHBondContact O-CG1 3.5Å; H78-I82 PolarHBondContact O-N 3.22Å; G79-I82 PolarHBondContact O-N 2.77Å; I82-K84 PolarHBondContact O-N 3.28Å; I82-Q85 PolarHBondContact O-N 2.82Å; I82-F86 HydrophobicContact CD1-CD2 4.14Å; I82-F86 HydrophobicContact CD1-CE2 3.86Å; I82-F86 HydrophobicContact CG2-CD2 3.98Å; I82-F86 WeakPolarHBondContact O-CB 3.49Å; I82-F86 PolarHBondContact O-N 3.11Å
83	A	96.4	Very high	95.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.1	-39.2	177.5	0	0	0	0	0	112.8	I72 G79 D81 G87 W120 V124	I72-A83 HydrophobicContact CD1-CB 3.82Å; I72-A83 HydrophobicContact CG1-CB 4.4Å; G79-A83 WeakPolarHBondContact O-CB 3.46Å; G79-A83 PolarHBondContact O-N 3Å; D81-A83 VanDerWaalsContact C-N 3.32Å; D81-A83 PolarHBondContact O-N 2.99Å; A83-G87 WeakPolarHBondContact O-CA 3.33Å; A83-G87 PolarHBondContact O-N 3.2Å; A83-W120 HydrophobicContact CB-CZ2 3.88Å; A83-V124 HydrophobicContact CB-CG2 4.03Å
84	K	95.6	Very high	95.7	Very high	79 Å²	79	52 Å²	52	34%	0.343	27%	0.266	S	S	.	.	H	α-helix	trans	-65.7	-47.9	175.4	-70.4	174.9	-63.3	-173.1	0	110.9	Y80 D81 I82 A123 V124 S127	Y80-K84 VanDerWaalsContact O-CE 3.28Å; Y80-K84 WeakPolarHBondContact O-CE 3.38Å; Y80-K84 WeakPolarHBondContact O-CG 3.33Å; Y80-K84 PolarHBondContact O-N 2.8Å; D81-K84 PolarHBondContact O-N 3.02Å; D81-K84 VanDerWaalsContact OD1-CE 3.26Å; D81-K84 WeakPolarHBondContact OD1-CE 3.48Å; D81-K84 IonicContact OD1-NZ 2.92Å; D81-K84 PolarHBondContact OD1-NZ 3.15Å; I82-K84 PolarHBondContact O-N 3.28Å; K84-A123 HydrophobicContact CD-CB 3.76Å; K84-A123 HydrophobicContact CG-CB 3.9Å; K84-V124 HydrophobicContact CG-CG2 3.98Å; K84-S127 PolarHBondContact O-OG 3.03Å
85	Q	94.6	Very high	96	Very high	64 Å²	64	50 Å²	50	30%	0.299	25%	0.252	S	S	.	.	H	α-helix	trans	-67.4	-44.9	-174.9	-176.9	177.2	-2.9	0	0	112.6	Y56 I60 D81 I82	Y56-Q85 VanDerWaalsContact CE2-NE2 3.28Å; Y56-Q85 PolarHBondContact OH-NE2 2.84Å; Y56-Q85 VanDerWaalsContact OH-NE2 3.08Å; I60-Q85 HydrophobicContact CD1-CG 4.12Å; I60-Q85 VanDerWaalsContact CD1-O 3.3Å; I60-Q85 WeakPolarHBondContact CD1-O 3.03Å; D81-Q85 WeakPolarHBondContact O-CB 3.43Å; D81-Q85 PolarHBondContact O-N 3.25Å; I82-Q85 PolarHBondContact O-N 2.82Å
86	F	95.7	Very high	96.2	Very high	42 Å²	42	41.3 Å²	41.3	18%	0.184	22%	0.221	C	C	.	.	H	α-helix	trans	-108.1	12.7	-174	-61.2	-72.5	0	0	0	113.6	Y56 I60 I82 S88 K89	Y56-F86 HydrophobicContact CD1-CZ 4.18Å; Y56-F86 AromaticContact CD2-CE1 3.94Å; Y56-F86 HydrophobicContact CD2-CE1 3.94Å; Y56-F86 AromaticContact CD2-CZ 3.91Å; Y56-F86 HydrophobicContact CD2-CZ 3.91Å; Y56-F86 HydrophobicContact CG-CE1 4.15Å; Y56-F86 AromaticContact CG-CZ 3.75Å; Y56-F86 HydrophobicContact CG-CZ 3.75Å; I60-F86 HydrophobicContact CD1-CD1 3.81Å; I60-F86 HydrophobicContact CD1-CE1 3.78Å; I60-F86 HydrophobicContact CG1-CD1 4.3Å; I60-F86 HydrophobicContact CG1-CE1 4.18Å; I60-F86 HydrophobicContact CG2-CD1 3.98Å; I82-F86 HydrophobicContact CD1-CD2 4.14Å; I82-F86 HydrophobicContact CD1-CE2 3.86Å; I82-F86 HydrophobicContact CG2-CD2 3.98Å; I82-F86 WeakPolarHBondContact O-CB 3.49Å; I82-F86 PolarHBondContact O-N 3.11Å; F86-S88 PolarHBondContact O-N 3.12Å; F86-K89 HydrophobicContact CB-CD 4.35Å; F86-K89 HydrophobicContact CD1-CD 4.22Å; F86-K89 WeakPolarHBondContact O-CB 3.11Å; F86-K89 PolarHBondContact O-N 2.84Å
87	G	93.6	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-56.2	-26.1	-176.6	0	0	0	0	0	115	A83 K89 L90 N128	A83-G87 WeakPolarHBondContact O-CA 3.33Å; A83-G87 PolarHBondContact O-N 3.2Å; G87-K89 PolarHBondContact O-N 3.05Å; G87-L90 PolarHBondContact O-N 2.95Å; G87-L90 VanDerWaalsContact O-N 3.12Å; G87-N128 WeakPolarHBondContact O-CB 3.41Å; G87-N128 PolarHBondContact O-ND2 3.17Å
88	S	93.8	Very high	96.6	Very high	43 Å²	43	33 Å²	33	30%	0.301	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-64.3	-16	172.2	62.8	0	0	0	0	114.5	I60 F86	I60-S88 WeakPolarHBondContact CG2-OG 3.42Å; F86-S88 PolarHBondContact O-N 3.12Å
89	K	96.1	Very high	96.7	Very high	68 Å²	68	29.7 Å²	29.7	30%	0.296	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-91.3	-16.1	175.2	-63.2	175.2	175.3	-87.6	0	113	I60 K61 K62 F86 G87	I60-K89 HydrophobicContact CG2-CD 4.21Å; I60-K89 HydrophobicContact CG2-CG 4.22Å; K61-K89 WeakPolarHBondContact O-CE 3.44Å; K61-K89 PolarHBondContact O-NZ 2.94Å; K62-K89 WeakPolarHBondContact CE-O 3.47Å; F86-K89 HydrophobicContact CB-CD 4.35Å; F86-K89 HydrophobicContact CD1-CD 4.22Å; F86-K89 WeakPolarHBondContact O-CB 3.11Å; F86-K89 PolarHBondContact O-N 2.84Å; G87-K89 PolarHBondContact O-N 3.05Å
90	L	97.1	Very high	96.7	Very high	26 Å²	26	28.9 Å²	28.9	14%	0.136	15%	0.146	C	C	.	.			trans	-95.2	136.5	-174.6	-55.6	178.6	0	0	0	110.6	V68 G87 V93 N128 V131	V68-L90 HydrophobicContact CB-CD2 4.47Å; V68-L90 HydrophobicContact CG1-CD2 3.75Å; G87-L90 PolarHBondContact O-N 2.95Å; G87-L90 VanDerWaalsContact O-N 3.12Å; L90-V93 HydrophobicContact CB-CG2 4.43Å; L90-V93 HydrophobicContact CD1-CG2 3.77Å; L90-N128 PolarHBondContact O-ND2 2.83Å; L90-V131 HydrophobicContact CB-CG2 4.33Å
91	S	97.5	Very high	96.8	Very high	35 Å²	35	31.2 Å²	31.2	25%	0.245	16%	0.155	C	C	.	.	S	Bend	trans	-82.7	-35.6	166.6	54.7	0	0	0	0	111	P67 V68 V131 R132	P67-S91 WeakPolarHBondContact CA-OG 3.3Å; V68-S91 PolarHBondContact N-OG 3.47Å; V68-S91 PolarHBondContact O-N 3.31Å; V68-S91 PolarHBondContact O-OG 3.4Å; S91-V131 WeakPolarHBondContact O-CA 3.34Å; S91-R132 PolarHBondContact O-N 2.88Å
92	S	98.4	Very high	96.8	Very high	12 Å²	12	29.6 Å²	29.6	8%	0.084	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	152.5	-174.4	40.8	0	0	0	0	110.6	V68 L69 G70 R132	V68-S92 PolarHBondContact O-N 3.42Å; L69-S92 WeakPolarHBondContact CA-O 3.46Å; L69-S92 VanDerWaalsContact CD1-OG 3.26Å; L69-S92 WeakPolarHBondContact CD1-OG 3.46Å; G70-S92 PolarHBondContact N-O 3.24Å; S92-R132 CarbonylContact C-O 3.48Å; S92-R132 VanDerWaalsContact CA-O 3.23Å; S92-R132 WeakPolarHBondContact CA-O 3.42Å
93	V	98.3	Very high	96.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.8	175.3	-174.7	0	0	0	0	107.8	G70 I72 L90 P95 W120 V124 V131 R132 M133 V134	G70-V93 CarbonylContact O-C 3.57Å; G70-V93 WeakPolarHBondContact O-CA 3.49Å; I72-V93 HydrophobicContact CB-CG1 4.44Å; I72-V93 HydrophobicContact CD1-CG1 4.24Å; I72-V93 HydrophobicContact CG1-CG1 3.33Å; L90-V93 HydrophobicContact CB-CG2 4.43Å; L90-V93 HydrophobicContact CD1-CG2 3.77Å; V93-P95 HydrophobicContact CG1-CG 4.47Å; V93-P95 VanDerWaalsContact O-CD 3.31Å; V93-P95 WeakPolarHBondContact O-CD 3.41Å; V93-W120 HydrophobicContact CG1-CH2 3.76Å; V93-W120 HydrophobicContact CG1-CZ2 4.24Å; V93-V124 HydrophobicContact CG2-CG1 4.33Å; V93-V131 HydrophobicContact CG2-CG2 3.76Å; V93-R132 PolarHBondContact N-O 2.84Å; V93-M133 HydrophobicContact CB-SD 4.2Å; V93-V134 WeakPolarHBondContact O-CG2 3.37Å; V93-V134 PolarHBondContact O-N 3.4Å
94	S	98.6	Very high	96.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	89.9	177.4	-167.8	0	0	0	0	110.4	G70 Y71 I72 V134 R136 T177	G70-S94 PolarHBondContact O-N 3.34Å; Y71-S94 WeakPolarHBondContact CA-O 3.38Å; I72-S94 PolarHBondContact N-O 3.45Å; S94-V134 WeakPolarHBondContact CA-O 3.28Å; S94-V134 VanDerWaalsContact CB-O 3.3Å; S94-V134 WeakPolarHBondContact CB-O 3.44Å; S94-V134 PolarHBondContact OG-O 2.95Å; S94-R136 PolarHBondContact OG-N 3.18Å; S94-R136 VanDerWaalsContact OG-N 3.17Å; S94-T177 WeakPolarHBondContact OG-CB 3.48Å; S94-T177 PolarHBondContact OG-OG1 2.97Å
95	P	98	Very high	96.5	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	138.4	170.8	-19.5	30.2	0	0	0	112.2	I72 V93 W97 W120 P135 R136	I72-P95 CarbonylContact O-C 3.42Å; I72-P95 WeakPolarHBondContact O-CA 3.4Å; V93-P95 HydrophobicContact CG1-CG 4.47Å; V93-P95 VanDerWaalsContact O-CD 3.31Å; V93-P95 WeakPolarHBondContact O-CD 3.41Å; P95-W97 HydrophobicContact CB-CD2 3.4Å; P95-W97 VanDerWaalsContact CB-CD2 3.4Å; P95-W97 HydrophobicContact CB-CE3 3.62Å; P95-W97 HydrophobicContact CB-CG 4.09Å; P95-W97 HydrophobicContact CB-CH2 3.57Å; P95-W97 HydrophobicContact CB-CZ2 3.33Å; P95-W97 HydrophobicContact CB-CZ3 3.69Å; P95-W97 HydrophobicContact CG-CD2 4.43Å; P95-W97 HydrophobicContact CG-CE3 4.23Å; P95-W97 HydrophobicContact CG-CH2 3.63Å; P95-W97 HydrophobicContact CG-CZ2 3.84Å; P95-W97 HydrophobicContact CG-CZ3 3.82Å; P95-W97 PolarHBondContact O-N 3.02Å; P95-W120 HydrophobicContact CG-CH2 3.78Å; P95-W120 HydrophobicContact CG-CZ3 3.72Å; P95-P135 WeakPolarHBondContact O-CA 3.4Å; P95-R136 PolarHBondContact O-N 3.22Å
96	V	97.5	Very high	96.5	Very high	14 Å²	14	34.3 Å²	34.3	9%	0.085	18%	0.181	C	C	.	.	S	Bend	trans	-97	69.8	-175.2	-175.3	0	0	0	0	109.5	Y71 I72 T73 P74 W75 R136	Y71-V96 HydrophobicContact CD1-CG2 3.82Å; I72-V96 PolarHBondContact O-N 3.31Å; T73-V96 HydrophobicContact CG2-CB 4.07Å; T73-V96 HydrophobicContact CG2-CG2 3.88Å; P74-V96 WeakPolarHBondContact CD-O 3.45Å; W75-V96 HydrophobicContact CH2-CB 4.32Å; W75-V96 HydrophobicContact CH2-CG1 3.63Å; W75-V96 HydrophobicContact CZ3-CG1 4.26Å; V96-R136 HydrophobicContact CG2-CB 4.43Å
97	W	96.3	Very high	96.6	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.011	19%	0.194	C	C	.	.			trans	-113.7	-37.6	-176.2	-55.3	-31.1	0	0	0	112.9	Y80 P95 Q99 G112 D115 H116 W120	Y80-W97 AromaticContact CE1-CZ2 3.94Å; Y80-W97 HydrophobicContact CE1-CZ2 3.94Å; Y80-W97 AromaticContact CZ-NE1 3.98Å; Y80-W97 PolarHBondContact OH-NE1 3.43Å; P95-W97 HydrophobicContact CB-CD2 3.4Å; P95-W97 VanDerWaalsContact CB-CD2 3.4Å; P95-W97 HydrophobicContact CB-CE3 3.62Å; P95-W97 HydrophobicContact CB-CG 4.09Å; P95-W97 HydrophobicContact CB-CH2 3.57Å; P95-W97 HydrophobicContact CB-CZ2 3.33Å; P95-W97 HydrophobicContact CB-CZ3 3.69Å; P95-W97 HydrophobicContact CG-CD2 4.43Å; P95-W97 HydrophobicContact CG-CE3 4.23Å; P95-W97 HydrophobicContact CG-CH2 3.63Å; P95-W97 HydrophobicContact CG-CZ2 3.84Å; P95-W97 HydrophobicContact CG-CZ3 3.82Å; P95-W97 PolarHBondContact O-N 3.02Å; W97-Q99 PolarHBondContact O-NE2 3.35Å; W97-G112 WeakPolarHBondContact O-CA 3.38Å; W97-D115 HydrophobicContact CB-CB 4.1Å; W97-D115 HydrophobicContact CD2-CB 4.27Å; W97-D115 HydrophobicContact CG-CB 3.77Å; W97-H116 HydrophobicContact CE3-CB 4.19Å; W97-H116 HydrophobicContact CZ3-CB 4.02Å; W97-H116 AromaticContact CZ3-CD2 3.66Å; W97-W120 AromaticContact CH2-CE3 3.81Å; W97-W120 HydrophobicContact CH2-CE3 3.81Å; W97-W120 AromaticContact CH2-CZ3 3.57Å; W97-W120 HydrophobicContact CH2-CZ3 3.57Å; W97-W120 HydrophobicContact CZ2-CE3 4.12Å; W97-W120 AromaticContact CZ2-CZ3 3.9Å; W97-W120 HydrophobicContact CZ2-CZ3 3.9Å
98	L	98.4	Very high	96.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144.6	-157.5	-51.1	-176.1	0	0	0	112.4	V110 T111 L113 P135 R136 V137 L138 F173 F176	L98-V110 HydrophobicContact CB-CG1 3.9Å; L98-V110 HydrophobicContact CD1-CG1 4.02Å; L98-V110 HydrophobicContact CD2-CG1 4.24Å; L98-V110 HydrophobicContact CG-CG1 4.26Å; L98-T111 WeakPolarHBondContact CA-O 2.94Å; L98-L113 HydrophobicContact CD2-CD2 3.77Å; L98-L113 HydrophobicContact CD2-CG 4.28Å; L98-P135 HydrophobicContact CD1-CB 3.67Å; L98-P135 HydrophobicContact CD1-CG 4.28Å; L98-P135 HydrophobicContact CG-CB 4.07Å; L98-R136 WeakPolarHBondContact CB-O 3.12Å; L98-R136 PolarHBondContact N-O 3.07Å; L98-V137 HydrophobicContact CB-CG2 4.07Å; L98-V137 HydrophobicContact CD1-CG2 4.2Å; L98-L138 PolarHBondContact O-N 3.5Å; L98-L138 VanDerWaalsContact O-N 3.15Å; L98-F173 HydrophobicContact CD1-CD2 4.46Å; L98-F173 HydrophobicContact CD1-CE2 3.82Å; L98-F173 HydrophobicContact CD1-CZ 4.49Å; L98-F176 HydrophobicContact CD1-CD1 4.35Å; L98-F176 HydrophobicContact CD1-CE1 3.88Å
99	Q	98.2	Very high	96.9	Very high	42 Å²	42	37 Å²	37	20%	0.196	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.3	167.3	-52.7	76.3	40	0	0	109.4	W97 V110 T111 L138 D140	W97-Q99 PolarHBondContact O-NE2 3.35Å; Q99-V110 CarbonylContact O-C 3.56Å; Q99-V110 WeakPolarHBondContact O-CA 3.31Å; Q99-T111 PolarHBondContact N-O 3.15Å; Q99-T111 VanDerWaalsContact N-O 3.1Å; Q99-T111 PolarHBondContact O-N 3.29Å; Q99-T111 PolarHBondContact O-OG1 3.11Å; Q99-T111 PolarHBondContact OE1-OG1 3.03Å; Q99-L138 CarbonylContact C-O 3.58Å; Q99-L138 WeakPolarHBondContact CA-O 3.35Å; Q99-D140 HydrophobicContact CB-CB 3.76Å; Q99-D140 HydrophobicContact CG-CB 3.79Å
100	L	98.3	Very high	97	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.6	171.9	-179.2	70.2	0	0	0	109.2	F108 V110 V137 L138 F139 D140 W142 L160 L164	L100-F108 HydrophobicContact CD1-CB 4.18Å; L100-V110 HydrophobicContact CD1-CG2 3.89Å; L100-V137 HydrophobicContact CB-CG1 3.63Å; L100-L138 PolarHBondContact N-O 2.81Å; L100-F139 HydrophobicContact CD2-CD1 4.11Å; L100-F139 HydrophobicContact CD2-CD2 4.36Å; L100-F139 HydrophobicContact CD2-CE1 3.62Å; L100-F139 HydrophobicContact CD2-CE2 3.89Å; L100-F139 HydrophobicContact CD2-CG 4.46Å; L100-F139 HydrophobicContact CD2-CZ 3.5Å; L100-F139 VanDerWaalsContact CD2-CZ 3.5Å; L100-D140 PolarHBondContact O-N 3.4Å; L100-W142 HydrophobicContact CD2-CZ2 4.19Å; L100-W142 HydrophobicContact CG-CZ2 4.37Å; L100-W142 PolarHBondContact O-NE1 2.81Å; L100-L160 HydrophobicContact CD2-CD1 3.78Å; L100-L160 HydrophobicContact CD2-CD2 3.96Å; L100-L160 HydrophobicContact CD2-CG 3.77Å; L100-L164 HydrophobicContact CD1-CD2 4.29Å
101	R	97.3	Very high	97	Very high	87 Å²	87	33.9 Å²	33.9	33%	0.328	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.7	179.9	-64	-171.6	170.7	-169.6	-5	110.7	F108 D109 T111 D140	R101-F108 WeakPolarHBondContact O-CA 3.33Å; R101-D109 PolarHBondContact N-O 3.43Å; R101-D109 PolarHBondContact O-N 3.49Å; R101-T111 HydrophobicContact CG-CG2 4.46Å; R101-D140 IonicContact CZ-OD2 2.85Å; R101-D140 IonicContact NE-OD2 3.64Å; R101-D140 IonicContact NH2-OD2 2.81Å; R101-D140 PolarHBondContact NH2-OD2 2.98Å
102	R	95.9	Very high	97	Very high	43 Å²	43	32.6 Å²	32.6	16%	0.162	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	115.9	166.2	-171.3	173.1	-179.5	-102.5	3.9	108.5	F108 W142 D146 S149 E156	R102-F108 HydrophobicContact CB-CD1 4.06Å; R102-F108 HydrophobicContact CB-CE1 3.87Å; R102-F108 HydrophobicContact CG-CD1 4.2Å; R102-F108 HydrophobicContact CG-CE1 3.7Å; R102-F108 HydrophobicContact CG-CZ 4.32Å; R102-W142 HydrophobicContact CB-CH2 4.38Å; R102-W142 HydrophobicContact CB-CZ2 4.06Å; R102-D146 IonicContact CZ-OD1 3.86Å; R102-D146 IonicContact NH1-OD1 3.83Å; R102-D146 PolarHBondContact NH1-OD1 3.1Å; R102-S149 VanDerWaalsContact NH2-CB 3.35Å; R102-E156 IonicContact CZ-OE1 3.32Å; R102-E156 IonicContact CZ-OE2 2.97Å; R102-E156 VanDerWaalsContact CZ-OE2 3.32Å; R102-E156 IonicContact NE-OE2 3.25Å; R102-E156 PolarHBondContact NE-OE2 3.1Å; R102-E156 VanDerWaalsContact NH2-CD 3.32Å; R102-E156 IonicContact NH2-OE1 2.96Å; R102-E156 PolarHBondContact NH2-OE1 3.39Å; R102-E156 IonicContact NH2-OE2 3.54Å; R102-E156 PolarHBondContact NH2-OE2 3.23Å
103	R	94.4	Very high	96.8	Very high	136 Å²	136	34.4 Å²	34.4	51%	0.513	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-37.4	-176.2	-60.5	-59.4	-167.8	164.6	5	112	T107 D109	R103-T107 HydrophobicContact CB-CG2 4.25Å; R103-T107 PolarHBondContact N-O 3.34Å; R103-D109 HydrophobicContact CG-CB 3.83Å; R103-D109 IonicContact CZ-OD2 3.9Å; R103-D109 VanDerWaalsContact CZ-OD2 3.3Å; R103-D109 IonicContact NE-OD2 3.49Å; R103-D109 PolarHBondContact NE-OD2 3.03Å; R103-D109 VanDerWaalsContact NE-OD2 3.08Å; R103-D109 IonicContact NH2-OD2 2.8Å; R103-D109 PolarHBondContact NH2-OD2 2.87Å
104	A	94.4	Very high	96.5	Very high	44 Å²	44	42 Å²	42	36%	0.364	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	171.3	177.6	0	0	0	0	0	108.3	G106 T107	A104-G106 PolarHBondContact O-N 3.25Å; A104-T107 PolarHBondContact N-O 2.72Å; A104-T107 PolarHBondContact O-N 3.06Å
105	P	95.1	Very high	96.2	Very high	100 Å²	100	45 Å²	45	65%	0.649	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	124.1	172.7	-25.6	35.6	0	0	0	111.9	T107	P105-T107 PolarHBondContact O-N 3.12Å
106	G	94.3	Very high	95.9	Very high	24 Å²	24	46.8 Å²	46.8	25%	0.247	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	13.2	-177.6	0	0	0	0	0	115.1	A104 E156	A104-G106 PolarHBondContact O-N 3.25Å; G106-E156 VanDerWaalsContact N-CD 3.32Å; G106-E156 PolarHBondContact N-OE2 3.28Å
107	T	97	Very high	95.7	Very high	72 Å²	72	50 Å²	50	44%	0.442	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	114.8	177.8	-52	0	0	0	0	110.3	R103 A104 P105	R103-T107 HydrophobicContact CB-CG2 4.25Å; R103-T107 PolarHBondContact N-O 3.34Å; A104-T107 PolarHBondContact N-O 2.72Å; A104-T107 PolarHBondContact O-N 3.06Å; P105-T107 PolarHBondContact O-N 3.12Å
108	F	97.9	Very high	95.6	Very high	15 Å²	15	53 Å²	53	7%	0.066	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	156.3	-180	-57.6	-82.9	0	0	0	110.7	L100 R101 R102 W142 V150 E156 E159 L160 E163	L100-F108 HydrophobicContact CD1-CB 4.18Å; R101-F108 WeakPolarHBondContact O-CA 3.33Å; R102-F108 HydrophobicContact CB-CD1 4.06Å; R102-F108 HydrophobicContact CB-CE1 3.87Å; R102-F108 HydrophobicContact CG-CD1 4.2Å; R102-F108 HydrophobicContact CG-CE1 3.7Å; R102-F108 HydrophobicContact CG-CZ 4.32Å; F108-W142 HydrophobicContact CD1-CH2 4.22Å; F108-W142 HydrophobicContact CD1-CZ2 4.04Å; F108-W142 AromaticContact CE1-CH2 3.6Å; F108-W142 HydrophobicContact CE1-CH2 3.6Å; F108-W142 AromaticContact CE1-CZ2 3.87Å; F108-W142 HydrophobicContact CE1-CZ2 3.87Å; F108-V150 HydrophobicContact CE1-CG2 4.05Å; F108-V150 HydrophobicContact CZ-CG2 3.84Å; F108-E156 HydrophobicContact CE2-CB 4.41Å; F108-E156 WeakPolarHBondContact CE2-O 3.38Å; F108-E156 HydrophobicContact CZ-CB 4.26Å; F108-E159 HydrophobicContact CD2-CB 4.15Å; F108-E159 HydrophobicContact CE2-CB 4.08Å; F108-L160 HydrophobicContact CD1-CB 4.25Å; F108-L160 HydrophobicContact CD1-CD1 4.08Å; F108-L160 HydrophobicContact CD1-CG 4.23Å; F108-L160 VanDerWaalsContact CD2-CA 3.48Å; F108-L160 HydrophobicContact CD2-CB 3.78Å; F108-L160 HydrophobicContact CE1-CB 4.21Å; F108-L160 HydrophobicContact CE1-CD1 3.84Å; F108-L160 HydrophobicContact CE1-CG 4.36Å; F108-L160 HydrophobicContact CE2-CB 3.73Å; F108-L160 HydrophobicContact CG-CB 4.05Å; F108-L160 HydrophobicContact CG-CG 4.34Å; F108-L160 HydrophobicContact CZ-CB 3.95Å; F108-L160 HydrophobicContact CZ-CD1 4.21Å; F108-E163 HydrophobicContact CB-CB 4.19Å; F108-E163 HydrophobicContact CB-CG 4.13Å
109	D	96.1	Very high	95.5	Very high	54 Å²	54	55.3 Å²	55.3	29%	0.289	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	131.9	-179.6	172.7	42.4	0	0	0	109.3	R101 R103 T111	R101-D109 PolarHBondContact N-O 3.43Å; R101-D109 PolarHBondContact O-N 3.49Å; R103-D109 HydrophobicContact CG-CB 3.83Å; R103-D109 IonicContact CZ-OD2 3.9Å; R103-D109 VanDerWaalsContact CZ-OD2 3.3Å; R103-D109 IonicContact NE-OD2 3.49Å; R103-D109 PolarHBondContact NE-OD2 3.03Å; R103-D109 VanDerWaalsContact NE-OD2 3.08Å; R103-D109 IonicContact NH2-OD2 2.8Å; R103-D109 PolarHBondContact NH2-OD2 2.87Å; D109-T111 WeakPolarHBondContact OD2-CG2 3.46Å
110	V	98.1	Very high	95.3	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	108.1	173	-178.5	0	0	0	0	110.3	L98 Q99 L100 E163 L164 V167	L98-V110 HydrophobicContact CB-CG1 3.9Å; L98-V110 HydrophobicContact CD1-CG1 4.02Å; L98-V110 HydrophobicContact CD2-CG1 4.24Å; L98-V110 HydrophobicContact CG-CG1 4.26Å; Q99-V110 CarbonylContact O-C 3.56Å; Q99-V110 WeakPolarHBondContact O-CA 3.31Å; L100-V110 HydrophobicContact CD1-CG2 3.89Å; V110-E163 HydrophobicContact CG2-CG 4.16Å; V110-E163 PolarHBondContact N-OE1 3.44Å; V110-L164 HydrophobicContact CG2-CD2 3.98Å; V110-V167 HydrophobicContact CB-CG1 4.3Å; V110-V167 HydrophobicContact CB-CG2 3.92Å; V110-V167 HydrophobicContact CG1-CG1 4.24Å; V110-V167 HydrophobicContact CG2-CB 4.43Å; V110-V167 HydrophobicContact CG2-CG2 3.9Å
111	T	97.4	Very high	95.2	Very high	26 Å²	26	54.3 Å²	54.3	16%	0.16	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	167.1	176.4	63.7	0	0	0	0	112.4	L98 Q99 R101 D109	L98-T111 WeakPolarHBondContact CA-O 2.94Å; Q99-T111 PolarHBondContact N-O 3.15Å; Q99-T111 VanDerWaalsContact N-O 3.1Å; Q99-T111 PolarHBondContact O-N 3.29Å; Q99-T111 PolarHBondContact O-OG1 3.11Å; Q99-T111 PolarHBondContact OE1-OG1 3.03Å; R101-T111 HydrophobicContact CG-CG2 4.46Å; D109-T111 WeakPolarHBondContact OD2-CG2 3.46Å
112	G	96.3	Very high	95.1	Very high	8 Å²	8	58 Å²	58	8%	0.082	33%	0.325	C	S	.	.			trans	90.9	1.7	178.3	0	0	0	0	0	114.7	W97 H114 D115	W97-G112 WeakPolarHBondContact O-CA 3.38Å; G112-H114 PolarHBondContact O-N 3.5Å; G112-H114 VanDerWaalsContact O-N 3.14Å; G112-D115 PolarHBondContact O-N 2.79Å; G112-D115 VanDerWaalsContact O-N 3.1Å
113	L	95.7	Very high	95	Very high	51 Å²	51	57.7 Å²	57.7	27%	0.267	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-61	-22.3	-179.8	-70.6	173.6	0	0	0	114.6	L98 D115 H116 V167 E171 F173	L98-L113 HydrophobicContact CD2-CD2 3.77Å; L98-L113 HydrophobicContact CD2-CG 4.28Å; L113-D115 PolarHBondContact O-N 3.04Å; L113-H116 VanDerWaalsContact O-CB 3.22Å; L113-H116 WeakPolarHBondContact O-CB 3.29Å; L113-H116 PolarHBondContact O-N 2.93Å; L113-V167 HydrophobicContact CD2-CG1 4.05Å; L113-E171 HydrophobicContact CD2-CG 3.71Å; L113-F173 HydrophobicContact CD2-CE2 4.2Å; L113-F173 HydrophobicContact CD2-CZ 4.44Å
114	H	92.6	Very high	95	Very high	160 Å²	160	51.2 Å²	51.2	74%	0.741	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-65	-18.8	175.7	60.9	-87.3	0	0	0	113.6	G112 H116	G112-H114 PolarHBondContact O-N 3.5Å; G112-H114 VanDerWaalsContact O-N 3.14Å; H114-H116 VanDerWaalsContact C-N 3.3Å
115	D	91.3	Very high	95.1	Very high	63 Å²	63	52.7 Å²	52.7	34%	0.337	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-83.9	-5.2	174.3	-71.4	-29.7	0	0	0	112.9	W97 G112 L113 D117	W97-D115 HydrophobicContact CB-CB 4.1Å; W97-D115 HydrophobicContact CD2-CB 4.27Å; W97-D115 HydrophobicContact CG-CB 3.77Å; G112-D115 PolarHBondContact O-N 2.79Å; G112-D115 VanDerWaalsContact O-N 3.1Å; L113-D115 PolarHBondContact O-N 3.04Å; D115-D117 PolarHBondContact O-N 3.32Å; D115-D117 VanDerWaalsContact O-N 3.14Å
116	H	92.6	Very high	95	Very high	37 Å²	37	56.8 Å²	56.8	17%	0.171	31%	0.311	C	S	.	.			trans	-71	107.6	176.7	179.3	-156.4	0	0	0	111.2	W97 L113 H114 E171 F173	W97-H116 HydrophobicContact CE3-CB 4.19Å; W97-H116 HydrophobicContact CZ3-CB 4.02Å; W97-H116 AromaticContact CZ3-CD2 3.66Å; L113-H116 VanDerWaalsContact O-CB 3.22Å; L113-H116 WeakPolarHBondContact O-CB 3.29Å; L113-H116 PolarHBondContact O-N 2.93Å; H114-H116 VanDerWaalsContact C-N 3.3Å; H116-E171 PolarHBondContact CE1-O 2.74Å; H116-E171 IonicContact CE1-OE2 3.89Å; H116-E171 PolarHBondContact CE1-OE2 2.99Å; H116-E171 IonicContact CG-OE2 2.72Å; H116-E171 IonicContact ND1-OE2 3.22Å; H116-E171 PolarHBondContact ND1-OE2 3.01Å; H116-F173 AromaticContact CD2-CE1 3.94Å; H116-F173 AromaticContact CE1-CE1 3.69Å; H116-F173 AromaticContact ND1-CE1 3.85Å; H116-F173 AromaticContact ND1-CZ 3.85Å; H116-F173 AromaticContact NE2-CE1 3.76Å
117	D	93.3	Very high	94.6	Very high	82 Å²	82	58 Å²	58	44%	0.439	32%	0.315	S	S	.	.			trans	-96.9	97.9	173.6	-176.9	-15.4	0	0	0	111.3	D115 G119 W120 V121	D115-D117 PolarHBondContact O-N 3.32Å; D115-D117 VanDerWaalsContact O-N 3.14Å; D117-G119 PolarHBondContact O-N 2.97Å; D117-G119 VanDerWaalsContact OD1-CA 3.27Å; D117-G119 WeakPolarHBondContact OD1-CA 3.37Å; D117-G119 PolarHBondContact OD1-N 3.32Å; D117-W120 HydrophobicContact CB-CB 3.83Å; D117-W120 WeakPolarHBondContact O-CB 3.3Å; D117-W120 PolarHBondContact O-N 2.91Å; D117-W120 PolarHBondContact OD1-N 3.05Å; D117-V121 WeakPolarHBondContact O-CG2 3.26Å; D117-V121 PolarHBondContact O-N 2.98Å
118	A	93.8	Very high	94.4	Very high	66 Å²	66	56.3 Å²	56.3	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-29.9	176.5	0	0	0	0	0	113.2	K122	A118-K122 WeakPolarHBondContact O-CB 3.23Å; A118-K122 PolarHBondContact O-N 2.88Å
119	G	95.2	Very high	94.2	Very high	49 Å²	49	64.8 Å²	64.8	51%	0.505	34%	0.34	S	S	.	.	H	α-helix	trans	-67.9	-42.8	175.8	0	0	0	0	0	111.5	D117 K122 A123	D117-G119 PolarHBondContact O-N 2.97Å; D117-G119 VanDerWaalsContact OD1-CA 3.27Å; D117-G119 WeakPolarHBondContact OD1-CA 3.37Å; D117-G119 PolarHBondContact OD1-N 3.32Å; G119-K122 PolarHBondContact O-N 2.89Å; G119-A123 PolarHBondContact O-N 2.84Å
120	W	95.5	Very high	94.2	Very high	9 Å²	9	70.8 Å²	70.8	3%	0.034	36%	0.364	C	S	.	.	H	α-helix	trans	-63.6	-46.8	172.8	171.6	77.5	0	0	0	112	I72 Y80 A83 V93 P95 W97 D117 K122 A123 V124 M133	I72-W120 HydrophobicContact CB-CH2 4.48Å; I72-W120 HydrophobicContact CB-CZ2 4.45Å; I72-W120 HydrophobicContact CG1-CH2 4.22Å; I72-W120 HydrophobicContact CG1-CZ2 4.06Å; I72-W120 HydrophobicContact CG2-CH2 4.46Å; I72-W120 HydrophobicContact CG2-CZ2 4.1Å; Y80-W120 HydrophobicContact CD1-CB 4.49Å; Y80-W120 AromaticContact CD1-CD1 3.58Å; Y80-W120 AromaticContact CD1-CD2 3.68Å; Y80-W120 HydrophobicContact CD1-CD2 3.68Å; Y80-W120 AromaticContact CD1-CE2 3.58Å; Y80-W120 HydrophobicContact CD1-CE3 4.42Å; Y80-W120 AromaticContact CD1-CG 3.67Å; Y80-W120 HydrophobicContact CD1-CG 3.67Å; Y80-W120 HydrophobicContact CD1-CZ2 4.25Å; Y80-W120 AromaticContact CD1-NE1 3.51Å; Y80-W120 HydrophobicContact CE1-CD2 4.1Å; Y80-W120 HydrophobicContact CE1-CE3 4.41Å; Y80-W120 HydrophobicContact CE1-CG 4.35Å; Y80-W120 AromaticContact CG-NE1 3.93Å; Y80-W120 PolarHBondContact O-NE1 2.69Å; Y80-W120 VanDerWaalsContact O-NE1 3.1Å; A83-W120 HydrophobicContact CB-CZ2 3.88Å; V93-W120 HydrophobicContact CG1-CH2 3.76Å; V93-W120 HydrophobicContact CG1-CZ2 4.24Å; P95-W120 HydrophobicContact CG-CH2 3.78Å; P95-W120 HydrophobicContact CG-CZ3 3.72Å; W97-W120 AromaticContact CH2-CE3 3.81Å; W97-W120 HydrophobicContact CH2-CE3 3.81Å; W97-W120 AromaticContact CH2-CZ3 3.57Å; W97-W120 HydrophobicContact CH2-CZ3 3.57Å; W97-W120 HydrophobicContact CZ2-CE3 4.12Å; W97-W120 AromaticContact CZ2-CZ3 3.9Å; W97-W120 HydrophobicContact CZ2-CZ3 3.9Å; D117-W120 HydrophobicContact CB-CB 3.83Å; D117-W120 WeakPolarHBondContact O-CB 3.3Å; D117-W120 PolarHBondContact O-N 2.91Å; D117-W120 PolarHBondContact OD1-N 3.05Å; W120-K122 VanDerWaalsContact C-N 3.27Å; W120-K122 PolarHBondContact O-N 2.82Å; W120-A123 WeakPolarHBondContact O-CA 3.43Å; W120-A123 WeakPolarHBondContact O-CB 3.24Å; W120-A123 PolarHBondContact O-N 3.35Å; W120-V124 HydrophobicContact CD2-CG2 4.13Å; W120-V124 HydrophobicContact CG-CG2 4.48Å; W120-V124 HydrophobicContact CH2-CG2 4.48Å; W120-V124 HydrophobicContact CZ2-CG2 3.77Å; W120-V124 WeakPolarHBondContact O-CG2 3.45Å; W120-V124 PolarHBondContact O-N 3.2Å; W120-M133 HydrophobicContact CZ3-SD 4.38Å
121	V	95.3	Very high	94.1	Very high	12 Å²	12	70.8 Å²	70.8	7%	0.073	36%	0.364	C	S	.	.	H	α-helix	trans	-54.2	-46.3	176	166.9	0	0	0	0	110.9	D117 A123 V124 R125 M133	D117-V121 WeakPolarHBondContact O-CG2 3.26Å; D117-V121 PolarHBondContact O-N 2.98Å; V121-A123 VanDerWaalsContact C-N 3.33Å; V121-A123 PolarHBondContact O-N 3.46Å; V121-V124 PolarHBondContact O-N 3.16Å; V121-R125 WeakPolarHBondContact O-CB 3.38Å; V121-R125 PolarHBondContact O-N 3.15Å; V121-M133 HydrophobicContact CB-CE 4.42Å; V121-M133 HydrophobicContact CG1-CE 4.03Å; V121-M133 HydrophobicContact CG1-CG 3.95Å; V121-M133 HydrophobicContact CG1-SD 4.44Å; V121-M133 HydrophobicContact CG2-CE 4.48Å; V121-M133 HydrophobicContact CG2-CG 4.46Å; V121-M133 HydrophobicContact CG2-SD 4.31Å
122	K	95	Very high	94.1	Very high	165 Å²	165	73 Å²	73	72%	0.717	37%	0.369	S	S	*	.	H	α-helix	trans	-61.8	-39.6	176	-175	179.2	-178.6	178.1	0	112.3	A118 G119 W120 R125 K126	A118-K122 WeakPolarHBondContact O-CB 3.23Å; A118-K122 PolarHBondContact O-N 2.88Å; G119-K122 PolarHBondContact O-N 2.89Å; W120-K122 VanDerWaalsContact C-N 3.27Å; W120-K122 PolarHBondContact O-N 2.82Å; K122-R125 PolarHBondContact O-N 3.2Å; K122-K126 PolarHBondContact O-N 3.27Å
123	A	94.5	Very high	94.2	Very high	36 Å²	36	72.7 Å²	72.7	30%	0.298	37%	0.366	S	S	.	.	H	α-helix	trans	-66.5	-40.2	178.3	0	0	0	0	0	112.4	K84 G119 W120 V121 K126	K84-A123 HydrophobicContact CD-CB 3.76Å; K84-A123 HydrophobicContact CG-CB 3.9Å; G119-A123 PolarHBondContact O-N 2.84Å; W120-A123 WeakPolarHBondContact O-CA 3.43Å; W120-A123 WeakPolarHBondContact O-CB 3.24Å; W120-A123 PolarHBondContact O-N 3.35Å; V121-A123 VanDerWaalsContact C-N 3.33Å; V121-A123 PolarHBondContact O-N 3.46Å; A123-K126 VanDerWaalsContact O-CB 3.3Å; A123-K126 WeakPolarHBondContact O-CB 3.43Å; A123-K126 PolarHBondContact O-N 3.02Å
124	V	94.6	Very high	94.4	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-66.2	-45.7	174.5	178.8	0	0	0	0	110.7	A83 K84 V93 W120 V121 K126 S127 N128 V131 M133	A83-V124 HydrophobicContact CB-CG2 4.03Å; K84-V124 HydrophobicContact CG-CG2 3.98Å; V93-V124 HydrophobicContact CG2-CG1 4.33Å; W120-V124 HydrophobicContact CD2-CG2 4.13Å; W120-V124 HydrophobicContact CG-CG2 4.48Å; W120-V124 HydrophobicContact CH2-CG2 4.48Å; W120-V124 HydrophobicContact CZ2-CG2 3.77Å; W120-V124 WeakPolarHBondContact O-CG2 3.45Å; W120-V124 PolarHBondContact O-N 3.2Å; V121-V124 PolarHBondContact O-N 3.16Å; V124-K126 PolarHBondContact O-N 2.99Å; V124-K126 VanDerWaalsContact O-N 3.14Å; V124-S127 PolarHBondContact O-N 3.39Å; V124-S127 VanDerWaalsContact O-N 3.16Å; V124-S127 PolarHBondContact O-OG 3.21Å; V124-N128 PolarHBondContact O-N 2.74Å; V124-V131 HydrophobicContact CG1-CG1 3.99Å; V124-M133 HydrophobicContact CB-CE 3.81Å; V124-M133 HydrophobicContact CG1-CE 3.78Å
125	R	95.4	Very high	94.7	Very high	74 Å²	74	62.7 Å²	62.7	28%	0.279	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-16.6	176.6	-74.3	177.4	173.8	162.7	-2.1	113.6	V121 K122 N128 K129 V131 M133 G172 D174	V121-R125 WeakPolarHBondContact O-CB 3.38Å; V121-R125 PolarHBondContact O-N 3.15Å; K122-R125 PolarHBondContact O-N 3.2Å; R125-N128 WeakPolarHBondContact CA-O 3.3Å; R125-N128 CarbonylContact O-C 3.31Å; R125-N128 VanDerWaalsContact O-C 3.22Å; R125-K129 WeakPolarHBondContact O-CA 3.35Å; R125-K129 PolarHBondContact O-N 2.81Å; R125-V131 HydrophobicContact CG-CG1 3.77Å; R125-M133 HydrophobicContact CG-CE 4.16Å; R125-G172 PolarHBondContact NH2-O 3.22Å; R125-D174 IonicContact CZ-OD2 3.85Å; R125-D174 IonicContact NH2-OD1 3.86Å; R125-D174 IonicContact NH2-OD2 2.75Å; R125-D174 PolarHBondContact NH2-OD2 2.9Å
126	K	93.6	Very high	95	Very high	187 Å²	187	60.9 Å²	60.9	81%	0.813	31%	0.307	S	S	*	.	H	α-helix	trans	-67.4	-38.1	173.5	-171.6	-178.1	177	-176.9	0	112.1	K122 A123 V124	K122-K126 PolarHBondContact O-N 3.27Å; A123-K126 VanDerWaalsContact O-CB 3.3Å; A123-K126 WeakPolarHBondContact O-CB 3.43Å; A123-K126 PolarHBondContact O-N 3.02Å; V124-K126 PolarHBondContact O-N 2.99Å; V124-K126 VanDerWaalsContact O-N 3.14Å
127	S	86.5	Confident	95.3	Very high	50 Å²	50	59.1 Å²	59.1	35%	0.35	30%	0.298	S	S	.	.	H	α-helix	trans	-83.5	-25.3	178.7	63.5	0	0	0	0	112.5	K84 V124	K84-S127 PolarHBondContact O-OG 3.03Å; V124-S127 PolarHBondContact O-N 3.39Å; V124-S127 VanDerWaalsContact O-N 3.16Å; V124-S127 PolarHBondContact O-OG 3.21Å
128	N	92.4	Very high	95.5	Very high	36 Å²	36	56.6 Å²	56.6	19%	0.193	28%	0.284	C	S	.	.			trans	-147.7	102.8	173.3	-177.3	2.6	0	0	0	111.4	G87 L90 V124 R125 K130 V131	G87-N128 WeakPolarHBondContact O-CB 3.41Å; G87-N128 PolarHBondContact O-ND2 3.17Å; L90-N128 PolarHBondContact O-ND2 2.83Å; V124-N128 PolarHBondContact O-N 2.74Å; R125-N128 WeakPolarHBondContact CA-O 3.3Å; R125-N128 CarbonylContact O-C 3.31Å; R125-N128 VanDerWaalsContact O-C 3.22Å; N128-K130 PolarHBondContact O-N 3.14Å; N128-K130 VanDerWaalsContact O-N 3.12Å; N128-K130 PolarHBondContact OD1-N 3.06Å; N128-V131 HydrophobicContact CB-CB 4.14Å; N128-V131 HydrophobicContact CB-CG1 4.46Å; N128-V131 WeakPolarHBondContact O-CG1 3.37Å; N128-V131 PolarHBondContact O-N 2.92Å
129	K	93.8	Very high	95.6	Very high	193 Å²	193	53.6 Å²	53.6	84%	0.839	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.6	-179.5	-66.1	-175.5	-179.4	-179.3	0	114.2	R125	R125-K129 WeakPolarHBondContact O-CA 3.35Å; R125-K129 PolarHBondContact O-N 2.81Å
130	K	94.7	Very high	95.2	Very high	180 Å²	180	54 Å²	54	78%	0.783	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-2.7	-177.6	-62	-176.5	177.9	-176.9	0	113.1	N128 R132	N128-K130 PolarHBondContact O-N 3.14Å; N128-K130 VanDerWaalsContact O-N 3.12Å; N128-K130 PolarHBondContact OD1-N 3.06Å; K130-R132 PolarHBondContact O-N 3.36Å
131	V	96.8	Very high	94.9	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.012	28%	0.283	C	S	.	.			trans	-65.1	127.8	-179.7	70.7	0	0	0	0	110.1	L90 S91 V93 V124 R125 N128 M133	L90-V131 HydrophobicContact CB-CG2 4.33Å; S91-V131 WeakPolarHBondContact O-CA 3.34Å; V93-V131 HydrophobicContact CG2-CG2 3.76Å; V124-V131 HydrophobicContact CG1-CG1 3.99Å; R125-V131 HydrophobicContact CG-CG1 3.77Å; N128-V131 HydrophobicContact CB-CB 4.14Å; N128-V131 HydrophobicContact CB-CG1 4.46Å; N128-V131 WeakPolarHBondContact O-CG1 3.37Å; N128-V131 PolarHBondContact O-N 2.92Å; V131-M133 HydrophobicContact CG1-CE 4.1Å
132	R	98.1	Very high	94.9	Very high	72 Å²	72	57.7 Å²	57.7	27%	0.272	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	131.1	-179.6	-57.8	-74.5	-79.6	165.9	-7.6	110.3	S91 S92 V93 K130 V134 D174 K207 D209	S91-R132 PolarHBondContact O-N 2.88Å; S92-R132 CarbonylContact C-O 3.48Å; S92-R132 VanDerWaalsContact CA-O 3.23Å; S92-R132 WeakPolarHBondContact CA-O 3.42Å; V93-R132 PolarHBondContact N-O 2.84Å; K130-R132 PolarHBondContact O-N 3.36Å; R132-V134 HydrophobicContact CB-CG1 4.28Å; R132-D174 WeakPolarHBondContact CA-OD2 3.48Å; R132-D174 HydrophobicContact CB-CB 3.94Å; R132-D174 VanDerWaalsContact CZ-CB 3.42Å; R132-D174 IonicContact CZ-OD1 3.82Å; R132-D174 VanDerWaalsContact NH1-CG 3.32Å; R132-D174 IonicContact NH1-OD1 3.75Å; R132-D174 PolarHBondContact NH1-OD1 3.32Å; R132-D174 PolarHBondContact NH2-O 3.25Å; R132-K207 PolarHBondContact NH2-O 2.8Å; R132-D209 IonicContact CZ-OD1 3.08Å; R132-D209 IonicContact CZ-OD2 3.16Å; R132-D209 IonicContact NE-OD1 3.3Å; R132-D209 IonicContact NE-OD2 3.61Å; R132-D209 PolarHBondContact NE-OD2 2.97Å; R132-D209 IonicContact NH2-OD1 2.68Å; R132-D209 PolarHBondContact NH2-OD1 3.29Å; R132-D209 IonicContact NH2-OD2 3.68Å; R132-D209 PolarHBondContact NH2-OD2 2.95Å
133	M	98.4	Very high	94.9	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	103.7	172.2	-65.1	-59.7	167.1	0	0	109.3	V93 W120 V121 V124 R125 V131 P135 D174	V93-M133 HydrophobicContact CB-SD 4.2Å; W120-M133 HydrophobicContact CZ3-SD 4.38Å; V121-M133 HydrophobicContact CB-CE 4.42Å; V121-M133 HydrophobicContact CG1-CE 4.03Å; V121-M133 HydrophobicContact CG1-CG 3.95Å; V121-M133 HydrophobicContact CG1-SD 4.44Å; V121-M133 HydrophobicContact CG2-CE 4.48Å; V121-M133 HydrophobicContact CG2-CG 4.46Å; V121-M133 HydrophobicContact CG2-SD 4.31Å; V124-M133 HydrophobicContact CB-CE 3.81Å; V124-M133 HydrophobicContact CG1-CE 3.78Å; R125-M133 HydrophobicContact CG-CE 4.16Å; V131-M133 HydrophobicContact CG1-CE 4.1Å; M133-P135 VanDerWaalsContact C-CD 3.49Å; M133-P135 WeakPolarHBondContact O-CD 3.26Å; M133-D174 PolarHBondContact N-OD2 2.86Å; M133-D174 WeakPolarHBondContact O-CB 3.5Å; M133-D174 PolarHBondContact O-N 3.41Å
134	V	98.8	Very high	94.9	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.279	C	S	.	.			trans	-123.8	67.5	-174.7	-70.3	0	0	0	0	110.7	L69 V93 S94 R132 D174 G175 T177 D209 I211	L69-V134 HydrophobicContact CD1-CG2 3.72Å; V93-V134 WeakPolarHBondContact O-CG2 3.37Å; V93-V134 PolarHBondContact O-N 3.4Å; S94-V134 WeakPolarHBondContact CA-O 3.28Å; S94-V134 VanDerWaalsContact CB-O 3.3Å; S94-V134 WeakPolarHBondContact CB-O 3.44Å; S94-V134 PolarHBondContact OG-O 2.95Å; R132-V134 HydrophobicContact CB-CG1 4.28Å; V134-D174 HydrophobicContact CG1-CB 4.48Å; V134-G175 WeakPolarHBondContact CA-O 3.3Å; V134-T177 PolarHBondContact O-OG1 2.88Å; V134-D209 HydrophobicContact CG1-CB 4Å; V134-I211 HydrophobicContact CG2-CD1 3.98Å
135	P	98.6	Very high	95	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.006	31%	0.306	C	S	.	.			trans	-52	145.4	-175.2	-23.6	34.1	0	0	0	112.5	P95 L98 M133 V137 F173 G175 F176 T177	P95-P135 WeakPolarHBondContact O-CA 3.4Å; L98-P135 HydrophobicContact CD1-CB 3.67Å; L98-P135 HydrophobicContact CD1-CG 4.28Å; L98-P135 HydrophobicContact CG-CB 4.07Å; M133-P135 VanDerWaalsContact C-CD 3.49Å; M133-P135 WeakPolarHBondContact O-CD 3.26Å; P135-V137 PolarHBondContact O-N 3.27Å; P135-F173 HydrophobicContact CG-CD1 3.71Å; P135-F173 HydrophobicContact CG-CD2 3.91Å; P135-F173 HydrophobicContact CG-CE1 3.78Å; P135-F173 HydrophobicContact CG-CE2 3.97Å; P135-F173 HydrophobicContact CG-CG 3.8Å; P135-F173 HydrophobicContact CG-CZ 3.9Å; P135-G175 WeakPolarHBondContact CD-O 3.39Å; P135-F176 WeakPolarHBondContact O-CA 3.49Å; P135-T177 PolarHBondContact O-N 2.68Å
136	R	98.7	Very high	95.1	Very high	26 Å²	26	60.9 Å²	60.9	10%	0.098	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.3	177.6	-170.5	-151.4	76.6	134.5	-10.9	109.2	Y71 S94 P95 V96 L98 L138 T177 E179	Y71-R136 HydrophobicContact CE1-CB 4.27Å; Y71-R136 HydrophobicContact CE1-CG 4.21Å; S94-R136 PolarHBondContact OG-N 3.18Å; S94-R136 VanDerWaalsContact OG-N 3.17Å; P95-R136 PolarHBondContact O-N 3.22Å; V96-R136 HydrophobicContact CG2-CB 4.43Å; L98-R136 WeakPolarHBondContact CB-O 3.12Å; L98-R136 PolarHBondContact N-O 3.07Å; R136-L138 VanDerWaalsContact NH2-CB 3.28Å; R136-T177 CarbonylContact C-O 3.54Å; R136-T177 VanDerWaalsContact CA-O 3.22Å; R136-T177 WeakPolarHBondContact CA-O 3.27Å; R136-E179 VanDerWaalsContact CD-OE2 3.24Å; R136-E179 WeakPolarHBondContact CD-OE2 3.15Å; R136-E179 HydrophobicContact CG-CB 4.37Å; R136-E179 IonicContact CZ-OE2 2.73Å; R136-E179 IonicContact NE-OE2 3.49Å; R136-E179 IonicContact NH1-OE1 2.75Å; R136-E179 PolarHBondContact NH1-OE1 2.84Å; R136-E179 IonicContact NH1-OE2 3.86Å; R136-E179 PolarHBondContact NH1-OE2 2.82Å
137	V	98.7	Very high	95.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.6	174.9	-179.5	0	0	0	0	108.5	L98 L100 P135 L164 F176 T177 L178 E179	L98-V137 HydrophobicContact CB-CG2 4.07Å; L98-V137 HydrophobicContact CD1-CG2 4.2Å; L100-V137 HydrophobicContact CB-CG1 3.63Å; P135-V137 PolarHBondContact O-N 3.27Å; V137-L164 HydrophobicContact CG1-CD2 4.23Å; V137-L164 HydrophobicContact CG2-CD2 4.43Å; V137-F176 HydrophobicContact CG2-CB 4.04Å; V137-F176 HydrophobicContact CG2-CD1 3.31Å; V137-F176 HydrophobicContact CG2-CE1 3.9Å; V137-F176 HydrophobicContact CG2-CG 3.8Å; V137-T177 PolarHBondContact N-O 2.92Å; V137-L178 HydrophobicContact CB-CD2 4.28Å; V137-E179 PolarHBondContact O-N 2.99Å
138	L	98.1	Very high	95.8	Very high	28 Å²	28	51.7 Å²	51.7	15%	0.147	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.5	174.8	177.4	65.8	0	0	0	110.9	L98 Q99 L100 R136 D140 E179	L98-L138 PolarHBondContact O-N 3.5Å; L98-L138 VanDerWaalsContact O-N 3.15Å; Q99-L138 CarbonylContact C-O 3.58Å; Q99-L138 WeakPolarHBondContact CA-O 3.35Å; L100-L138 PolarHBondContact N-O 2.81Å; R136-L138 VanDerWaalsContact NH2-CB 3.28Å; L138-D140 VanDerWaalsContact C-N 3.31Å; L138-D140 HydrophobicContact CD2-CB 4.22Å; L138-D140 HydrophobicContact CG-CB 4.2Å; L138-D140 PolarHBondContact O-N 2.96Å; L138-E179 HydrophobicContact CD1-CB 4.22Å; L138-E179 HydrophobicContact CD1-CG 4.07Å; L138-E179 WeakPolarHBondContact CD1-O 3.41Å
139	F	94.7	Very high	96	Very high	3 Å²	3	51.5 Å²	51.5	1%	0.013	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	84	171.5	-75	-124.3	0	0	0	108.6	L100 W142 Y147 L160 E179 L180 L195	L100-F139 HydrophobicContact CD2-CD1 4.11Å; L100-F139 HydrophobicContact CD2-CD2 4.36Å; L100-F139 HydrophobicContact CD2-CE1 3.62Å; L100-F139 HydrophobicContact CD2-CE2 3.89Å; L100-F139 HydrophobicContact CD2-CG 4.46Å; L100-F139 HydrophobicContact CD2-CZ 3.5Å; L100-F139 VanDerWaalsContact CD2-CZ 3.5Å; F139-W142 HydrophobicContact CD1-CD2 4.3Å; F139-W142 AromaticContact CD1-CE2 3.88Å; F139-W142 HydrophobicContact CD1-CH2 4.13Å; F139-W142 AromaticContact CD1-CZ2 3.81Å; F139-W142 HydrophobicContact CD1-CZ2 3.81Å; F139-W142 HydrophobicContact CE1-CH2 4.19Å; F139-W142 HydrophobicContact CE1-CZ2 4.11Å; F139-Y147 HydrophobicContact CD1-CE1 4.46Å; F139-L160 HydrophobicContact CE1-CD1 4.01Å; F139-L160 HydrophobicContact CZ-CD1 4.46Å; F139-L160 HydrophobicContact CZ-CD2 4.46Å; F139-E179 PolarHBondContact N-O 3.39Å; F139-L180 HydrophobicContact CB-CB 4.12Å; F139-L180 HydrophobicContact CD1-CB 4.27Å; F139-L180 HydrophobicContact CD1-CD1 4.36Å; F139-L180 HydrophobicContact CD2-CB 3.62Å; F139-L180 HydrophobicContact CD2-CD1 4.43Å; F139-L180 HydrophobicContact CD2-CG 4.46Å; F139-L180 HydrophobicContact CE1-CD1 4.01Å; F139-L180 HydrophobicContact CE2-CB 4.06Å; F139-L180 HydrophobicContact CE2-CD1 4.09Å; F139-L180 HydrophobicContact CE2-CD2 4.38Å; F139-L180 HydrophobicContact CE2-CG 4.41Å; F139-L180 HydrophobicContact CG-CB 3.75Å; F139-L180 HydrophobicContact CZ-CD1 3.87Å; F139-L195 HydrophobicContact CE1-CD2 4.28Å
140	D	86.7	Confident	96.2	Very high	58 Å²	58	42.3 Å²	42.3	31%	0.31	22%	0.218	S	C	.	.			trans	-99	138.3	-170.6	-179.7	40.3	0	0	0	112.3	Q99 L100 R101 L138 W142	Q99-D140 HydrophobicContact CB-CB 3.76Å; Q99-D140 HydrophobicContact CG-CB 3.79Å; L100-D140 PolarHBondContact O-N 3.4Å; R101-D140 IonicContact CZ-OD2 2.85Å; R101-D140 IonicContact NE-OD2 3.64Å; R101-D140 IonicContact NH2-OD2 2.81Å; R101-D140 PolarHBondContact NH2-OD2 2.98Å; L138-D140 VanDerWaalsContact C-N 3.31Å; L138-D140 HydrophobicContact CD2-CB 4.22Å; L138-D140 HydrophobicContact CG-CB 4.2Å; L138-D140 PolarHBondContact O-N 2.96Å; D140-W142 VanDerWaalsContact C-N 3.26Å; D140-W142 PolarHBondContact O-N 3.41Å
141	G	89.9	Confident	96.3	Very high	70 Å²	70	35 Å²	35	72%	0.722	19%	0.186	S	C	*	.	S	Bend	trans	73.3	11.2	176.8	0	0	0	0	0	115.3
142	W	95.3	Very high	96.4	Very high	28 Å²	28	38.2 Å²	38.2	11%	0.106	22%	0.219	C	C	.	.			trans	-75.9	130.5	176.9	-73.5	56.3	0	0	0	111.1	L100 R102 F108 F139 D140 D146 Y147 V150 L160	L100-W142 HydrophobicContact CD2-CZ2 4.19Å; L100-W142 HydrophobicContact CG-CZ2 4.37Å; L100-W142 PolarHBondContact O-NE1 2.81Å; R102-W142 HydrophobicContact CB-CH2 4.38Å; R102-W142 HydrophobicContact CB-CZ2 4.06Å; F108-W142 HydrophobicContact CD1-CH2 4.22Å; F108-W142 HydrophobicContact CD1-CZ2 4.04Å; F108-W142 AromaticContact CE1-CH2 3.6Å; F108-W142 HydrophobicContact CE1-CH2 3.6Å; F108-W142 AromaticContact CE1-CZ2 3.87Å; F108-W142 HydrophobicContact CE1-CZ2 3.87Å; F139-W142 HydrophobicContact CD1-CD2 4.3Å; F139-W142 AromaticContact CD1-CE2 3.88Å; F139-W142 HydrophobicContact CD1-CH2 4.13Å; F139-W142 AromaticContact CD1-CZ2 3.81Å; F139-W142 HydrophobicContact CD1-CZ2 3.81Å; F139-W142 HydrophobicContact CE1-CH2 4.19Å; F139-W142 HydrophobicContact CE1-CZ2 4.11Å; D140-W142 VanDerWaalsContact C-N 3.26Å; D140-W142 PolarHBondContact O-N 3.41Å; W142-D146 HydrophobicContact CB-CB 4.39Å; W142-D146 HydrophobicContact CD2-CB 4.29Å; W142-D146 HydrophobicContact CE3-CB 3.77Å; W142-D146 HydrophobicContact CZ3-CB 4.47Å; W142-Y147 HydrophobicContact CB-CD2 4.05Å; W142-Y147 HydrophobicContact CB-CE2 3.47Å; W142-Y147 VanDerWaalsContact CB-CE2 3.47Å; W142-Y147 HydrophobicContact CE3-CD1 4.1Å; W142-Y147 HydrophobicContact CE3-CD2 4.37Å; W142-Y147 HydrophobicContact CE3-CE1 4.15Å; W142-Y147 HydrophobicContact CE3-CE2 4.41Å; W142-Y147 HydrophobicContact CE3-CG 4.21Å; W142-Y147 HydrophobicContact CG-CE2 4.32Å; W142-Y147 HydrophobicContact CZ3-CD1 4.47Å; W142-V150 HydrophobicContact CH2-CG2 3.86Å; W142-V150 HydrophobicContact CZ3-CB 4.13Å; W142-V150 HydrophobicContact CZ3-CG2 3.63Å; W142-L160 HydrophobicContact CH2-CD1 3.68Å; W142-L160 HydrophobicContact CZ2-CD1 4.11Å
143	S	94.9	Very high	96.4	Very high	55 Å²	55	36.3 Å²	36.3	39%	0.385	22%	0.217	S	C	.	.			trans	-80.4	163.8	168.4	74	0	0	0	0	111.1	Q145 D146 Y147	S143-Q145 PolarHBondContact O-N 3.12Å; S143-Q145 PolarHBondContact OG-N 3.22Å; S143-D146 VanDerWaalsContact CB-OD2 3.29Å; S143-D146 WeakPolarHBondContact CB-OD2 3.34Å; S143-D146 PolarHBondContact N-OD2 3.28Å; S143-D146 WeakPolarHBondContact O-CB 3.17Å; S143-D146 PolarHBondContact O-N 2.85Å; S143-D146 VanDerWaalsContact OG-CG 3.3Å; S143-D146 PolarHBondContact OG-N 2.73Å; S143-D146 VanDerWaalsContact OG-N 3.14Å; S143-D146 PolarHBondContact OG-OD2 3.36Å; S143-Y147 VanDerWaalsContact O-CD2 3.31Å; S143-Y147 WeakPolarHBondContact O-CD2 3.26Å; S143-Y147 PolarHBondContact O-N 2.91Å
144	Y	95	Very high	96.4	Very high	131 Å²	131	40.6 Å²	40.6	51%	0.514	24%	0.237	S	C	.	.	H	α-helix	trans	-54.5	-37.4	170.6	-178.9	-96.5	0	0	0	112	D146 Y147 M148 L184 K188	Y144-D146 VanDerWaalsContact C-N 3.33Å; Y144-D146 PolarHBondContact O-N 2.79Å; Y144-Y147 PolarHBondContact O-N 3.36Å; Y144-M148 HydrophobicContact CD1-CG 3.86Å; Y144-M148 HydrophobicContact CD2-CE 4.45Å; Y144-M148 HydrophobicContact CE1-CE 4.44Å; Y144-M148 HydrophobicContact CE1-CG 3.42Å; Y144-M148 VanDerWaalsContact CE1-CG 3.42Å; Y144-M148 HydrophobicContact CE1-SD 3.97Å; Y144-M148 HydrophobicContact CE2-CE 3.89Å; Y144-M148 HydrophobicContact CE2-CG 4.49Å; Y144-M148 HydrophobicContact CE2-SD 4.33Å; Y144-M148 WeakPolarHBondContact O-CG 3.45Å; Y144-M148 PolarHBondContact O-N 3.18Å; Y144-L184 HydrophobicContact CD2-CD2 4.16Å; Y144-K188 VanDerWaalsContact OH-CE 3.31Å; Y144-K188 WeakPolarHBondContact OH-CE 3.08Å
145	Q	95.9	Very high	96.4	Very high	123 Å²	123	46.8 Å²	46.8	58%	0.575	27%	0.27	S	S	*	.	H	α-helix	trans	-68.6	-31.2	178.6	-173.9	59.4	38.6	0	0	112.6	S143 M148 S149	S143-Q145 PolarHBondContact O-N 3.12Å; S143-Q145 PolarHBondContact OG-N 3.22Å; Q145-M148 PolarHBondContact O-N 2.74Å; Q145-S149 WeakPolarHBondContact O-CB 3.32Å; Q145-S149 PolarHBondContact O-N 2.88Å; Q145-S149 PolarHBondContact O-OG 3.29Å
146	D	96.7	Very high	96.4	Very high	34 Å²	34	47.7 Å²	47.7	18%	0.182	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-47.2	174.2	-65.7	-56.2	0	0	0	110.6	R102 W142 S143 Y144 M148 S149 V150	R102-D146 IonicContact CZ-OD1 3.86Å; R102-D146 IonicContact NH1-OD1 3.83Å; R102-D146 PolarHBondContact NH1-OD1 3.1Å; W142-D146 HydrophobicContact CB-CB 4.39Å; W142-D146 HydrophobicContact CD2-CB 4.29Å; W142-D146 HydrophobicContact CE3-CB 3.77Å; W142-D146 HydrophobicContact CZ3-CB 4.47Å; S143-D146 VanDerWaalsContact CB-OD2 3.29Å; S143-D146 WeakPolarHBondContact CB-OD2 3.34Å; S143-D146 PolarHBondContact N-OD2 3.28Å; S143-D146 WeakPolarHBondContact O-CB 3.17Å; S143-D146 PolarHBondContact O-N 2.85Å; S143-D146 VanDerWaalsContact OG-CG 3.3Å; S143-D146 PolarHBondContact OG-N 2.73Å; S143-D146 VanDerWaalsContact OG-N 3.14Å; S143-D146 PolarHBondContact OG-OD2 3.36Å; Y144-D146 VanDerWaalsContact C-N 3.33Å; Y144-D146 PolarHBondContact O-N 2.79Å; D146-M148 VanDerWaalsContact C-N 3.33Å; D146-M148 PolarHBondContact O-N 3.22Å; D146-S149 PolarHBondContact O-N 3.28Å; D146-V150 WeakPolarHBondContact O-CG2 3.47Å; D146-V150 PolarHBondContact O-N 2.89Å
147	Y	97.3	Very high	96.4	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-57.2	-46.8	173.5	-76.1	-75.8	0	0	0	111.6	F139 W142 S143 Y144 S149 V150 F151 Q183 L184	F139-Y147 HydrophobicContact CD1-CE1 4.46Å; W142-Y147 HydrophobicContact CB-CD2 4.05Å; W142-Y147 HydrophobicContact CB-CE2 3.47Å; W142-Y147 VanDerWaalsContact CB-CE2 3.47Å; W142-Y147 HydrophobicContact CE3-CD1 4.1Å; W142-Y147 HydrophobicContact CE3-CD2 4.37Å; W142-Y147 HydrophobicContact CE3-CE1 4.15Å; W142-Y147 HydrophobicContact CE3-CE2 4.41Å; W142-Y147 HydrophobicContact CE3-CG 4.21Å; W142-Y147 HydrophobicContact CG-CE2 4.32Å; W142-Y147 HydrophobicContact CZ3-CD1 4.47Å; S143-Y147 VanDerWaalsContact O-CD2 3.31Å; S143-Y147 WeakPolarHBondContact O-CD2 3.26Å; S143-Y147 PolarHBondContact O-N 2.91Å; Y144-Y147 PolarHBondContact O-N 3.36Å; Y147-S149 VanDerWaalsContact C-N 3.33Å; Y147-S149 PolarHBondContact O-N 3.01Å; Y147-V150 PolarHBondContact O-N 2.88Å; Y147-F151 HydrophobicContact CD1-CE1 4.29Å; Y147-F151 HydrophobicContact CD1-CE2 4.34Å; Y147-F151 AromaticContact CD1-CZ 3.76Å; Y147-F151 HydrophobicContact CD1-CZ 3.76Å; Y147-F151 HydrophobicContact CG-CZ 4.39Å; Y147-F151 WeakPolarHBondContact O-CB 3.3Å; Y147-F151 VanDerWaalsContact O-CD2 3.25Å; Y147-F151 WeakPolarHBondContact O-CD2 3.35Å; Y147-F151 WeakPolarHBondContact O-CG 3.42Å; Y147-F151 PolarHBondContact O-N 2.93Å; Y147-Q183 HydrophobicContact CE2-CB 4.45Å; Y147-Q183 VanDerWaalsContact OH-CB 3.22Å; Y147-Q183 WeakPolarHBondContact OH-CB 3.1Å; Y147-L184 HydrophobicContact CD1-CD1 4Å; Y147-L184 HydrophobicContact CD1-CG 4.41Å; Y147-L184 HydrophobicContact CD2-CD1 4.41Å; Y147-L184 HydrophobicContact CD2-CD2 3.59Å; Y147-L184 HydrophobicContact CD2-CG 4.21Å; Y147-L184 HydrophobicContact CE2-CD2 3.96Å; Y147-L184 HydrophobicContact CE2-CG 4.36Å; Y147-L184 HydrophobicContact CG-CD1 3.94Å; Y147-L184 HydrophobicContact CG-CD2 3.95Å; Y147-L184 HydrophobicContact CG-CG 4.23Å
148	M	97.4	Very high	96.4	Very high	39 Å²	39	50.8 Å²	50.8	19%	0.192	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-37.7	-179	-67	-53.4	97.5	0	0	112.5	Y144 Q145 D146 F151 G152 K188	Y144-M148 HydrophobicContact CD1-CG 3.86Å; Y144-M148 HydrophobicContact CD2-CE 4.45Å; Y144-M148 HydrophobicContact CE1-CE 4.44Å; Y144-M148 HydrophobicContact CE1-CG 3.42Å; Y144-M148 VanDerWaalsContact CE1-CG 3.42Å; Y144-M148 HydrophobicContact CE1-SD 3.97Å; Y144-M148 HydrophobicContact CE2-CE 3.89Å; Y144-M148 HydrophobicContact CE2-CG 4.49Å; Y144-M148 HydrophobicContact CE2-SD 4.33Å; Y144-M148 WeakPolarHBondContact O-CG 3.45Å; Y144-M148 PolarHBondContact O-N 3.18Å; Q145-M148 PolarHBondContact O-N 2.74Å; D146-M148 VanDerWaalsContact C-N 3.33Å; D146-M148 PolarHBondContact O-N 3.22Å; M148-F151 HydrophobicContact CE-CD2 3.42Å; M148-F151 VanDerWaalsContact CE-CD2 3.42Å; M148-F151 HydrophobicContact CE-CE2 3.57Å; M148-F151 HydrophobicContact SD-CD2 4.47Å; M148-G152 PolarHBondContact O-N 3.22Å; M148-G152 VanDerWaalsContact O-N 3.15Å; M148-K188 HydrophobicContact CE-CB 4.49Å; M148-K188 HydrophobicContact CE-CD 3.76Å; M148-K188 HydrophobicContact CE-CG 3.7Å; M148-K188 HydrophobicContact SD-CD 4.05Å; M148-K188 VanDerWaalsContact SD-CE 3.54Å
149	S	97.3	Very high	96.4	Very high	33 Å²	33	55 Å²	55	23%	0.231	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-46.5	176	-54.3	0	0	0	0	111.1	R102 Q145 D146 Y147 G152	R102-S149 VanDerWaalsContact NH2-CB 3.35Å; Q145-S149 WeakPolarHBondContact O-CB 3.32Å; Q145-S149 PolarHBondContact O-N 2.88Å; Q145-S149 PolarHBondContact O-OG 3.29Å; D146-S149 PolarHBondContact O-N 3.28Å; Y147-S149 VanDerWaalsContact C-N 3.33Å; Y147-S149 PolarHBondContact O-N 3.01Å; S149-G152 PolarHBondContact O-N 3.47Å
150	V	98.2	Very high	96.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-68.7	-45.4	-179.7	174.1	0	0	0	0	111.5	F108 W142 D146 Y147 G152 S153 E156 I157 L160 L195	F108-V150 HydrophobicContact CE1-CG2 4.05Å; F108-V150 HydrophobicContact CZ-CG2 3.84Å; W142-V150 HydrophobicContact CH2-CG2 3.86Å; W142-V150 HydrophobicContact CZ3-CB 4.13Å; W142-V150 HydrophobicContact CZ3-CG2 3.63Å; D146-V150 WeakPolarHBondContact O-CG2 3.47Å; D146-V150 PolarHBondContact O-N 2.89Å; Y147-V150 PolarHBondContact O-N 2.88Å; V150-G152 PolarHBondContact O-N 2.86Å; V150-G152 VanDerWaalsContact O-N 3.13Å; V150-S153 PolarHBondContact O-N 2.88Å; V150-S153 VanDerWaalsContact O-N 3.09Å; V150-E156 HydrophobicContact CG2-CB 4.34Å; V150-I157 HydrophobicContact CG1-CG1 3.91Å; V150-I157 WeakPolarHBondContact O-CG1 3.45Å; V150-L160 HydrophobicContact CG1-CD1 4.45Å; V150-L195 HydrophobicContact CG1-CD1 4.35Å
151	F	98.1	Very high	97.2	Very high	25 Å²	25	52.1 Å²	52.1	11%	0.11	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-24	176.6	-63.2	-24.4	0	0	0	113.5	Y147 M148 L184 K188 E191 L192 L195	Y147-F151 HydrophobicContact CD1-CE1 4.29Å; Y147-F151 HydrophobicContact CD1-CE2 4.34Å; Y147-F151 AromaticContact CD1-CZ 3.76Å; Y147-F151 HydrophobicContact CD1-CZ 3.76Å; Y147-F151 HydrophobicContact CG-CZ 4.39Å; Y147-F151 WeakPolarHBondContact O-CB 3.3Å; Y147-F151 VanDerWaalsContact O-CD2 3.25Å; Y147-F151 WeakPolarHBondContact O-CD2 3.35Å; Y147-F151 WeakPolarHBondContact O-CG 3.42Å; Y147-F151 PolarHBondContact O-N 2.93Å; M148-F151 HydrophobicContact CE-CD2 3.42Å; M148-F151 VanDerWaalsContact CE-CD2 3.42Å; M148-F151 HydrophobicContact CE-CE2 3.57Å; M148-F151 HydrophobicContact SD-CD2 4.47Å; F151-L184 HydrophobicContact CE2-CD1 3.72Å; F151-L184 HydrophobicContact CZ-CD1 3.87Å; F151-K188 HydrophobicContact CE2-CB 3.92Å; F151-K188 HydrophobicContact CE2-CG 4.45Å; F151-E191 HydrophobicContact CB-CB 4.01Å; F151-E191 HydrophobicContact CB-CG 4.34Å; F151-E191 HydrophobicContact CD1-CB 4.04Å; F151-E191 HydrophobicContact CD2-CB 3.5Å; F151-E191 HydrophobicContact CD2-CG 4.18Å; F151-E191 HydrophobicContact CE1-CB 4.37Å; F151-E191 HydrophobicContact CE2-CB 3.89Å; F151-E191 HydrophobicContact CG-CB 3.61Å; F151-E191 HydrophobicContact CG-CG 4.37Å; F151-E191 HydrophobicContact CZ-CB 4.31Å; F151-L192 HydrophobicContact CE1-CD2 4.16Å; F151-L192 HydrophobicContact CZ-CD2 3.72Å; F151-L192 HydrophobicContact CZ-CG 3.88Å; F151-L195 HydrophobicContact CD1-CB 4.33Å; F151-L195 HydrophobicContact CD1-CD2 4.38Å; F151-L195 HydrophobicContact CE1-CB 4.09Å; F151-L195 HydrophobicContact CE1-CD2 3.73Å
152	G	97.6	Very high	97.6	Very high	70 Å²	70	49.9 Å²	49.9	72%	0.722	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	0.7	178.9	0	0	0	0	0	114.8	M148 S149 V150	M148-G152 PolarHBondContact O-N 3.22Å; M148-G152 VanDerWaalsContact O-N 3.15Å; S149-G152 PolarHBondContact O-N 3.47Å; V150-G152 PolarHBondContact O-N 2.86Å; V150-G152 VanDerWaalsContact O-N 3.13Å
153	S	98.5	Very high	97.7	Very high	32 Å²	32	51 Å²	51	22%	0.224	28%	0.277	C	S	.	.			trans	-142.4	106.5	-172.1	-178.4	0	0	0	0	112	V150 D155 E156 I157	V150-S153 PolarHBondContact O-N 2.88Å; V150-S153 VanDerWaalsContact O-N 3.09Å; S153-D155 PolarHBondContact O-N 3.04Å; S153-E156 PolarHBondContact O-N 3.48Å; S153-E156 PolarHBondContact OG-N 3.44Å; S153-I157 WeakPolarHBondContact O-CG1 3.26Å; S153-I157 PolarHBondContact O-N 2.97Å; S153-I157 VanDerWaalsContact O-N 3.07Å
154	E	98.4	Very high	97.9	Very high	93 Å²	93	48.3 Å²	48.3	44%	0.435	26%	0.259	S	S	.	.	H	α-helix	trans	-58.2	-35.5	173.3	-62.5	-57.5	123.4	0	0	111.9	E156 I157 E158 H194	E154-E156 VanDerWaalsContact C-N 3.33Å; E154-E156 PolarHBondContact O-N 3Å; E154-I157 PolarHBondContact O-N 3.48Å; E154-E158 PolarHBondContact O-N 3.19Å; E154-H194 VanDerWaalsContact CD-NE2 3.33Å; E154-H194 IonicContact OE1-CD2 2.74Å; E154-H194 IonicContact OE1-CE1 3.88Å; E154-H194 IonicContact OE1-NE2 3.98Å; E154-H194 PolarHBondContact OE1-NE2 3.12Å; E154-H194 IonicContact OE2-CE1 3.68Å; E154-H194 IonicContact OE2-NE2 3.04Å; E154-H194 PolarHBondContact OE2-NE2 2.75Å; E154-H194 VanDerWaalsContact OE2-NE2 3.16Å
155	D	98.4	Very high	98.1	Very high	129 Å²	129	42.3 Å²	42.3	69%	0.69	24%	0.236	S	C	*	.	H	α-helix	trans	-61.9	-42	175.3	-66.6	-15.9	0	0	0	110.7	S153 I157 E158 E159	S153-D155 PolarHBondContact O-N 3.04Å; D155-I157 PolarHBondContact O-N 2.98Å; D155-E158 PolarHBondContact O-N 2.98Å; D155-E159 VanDerWaalsContact O-CG 3.3Å; D155-E159 WeakPolarHBondContact O-CG 3.1Å; D155-E159 PolarHBondContact O-N 2.83Å
156	E	98.4	Very high	98.2	Very high	21 Å²	21	40.8 Å²	40.8	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-69.3	-33.4	176.6	-70.6	-153.5	-141.2	0	0	112.5	R102 G106 F108 V150 S153 E154 E158 L160	R102-E156 IonicContact CZ-OE1 3.32Å; R102-E156 IonicContact CZ-OE2 2.97Å; R102-E156 VanDerWaalsContact CZ-OE2 3.32Å; R102-E156 IonicContact NE-OE2 3.25Å; R102-E156 PolarHBondContact NE-OE2 3.1Å; R102-E156 VanDerWaalsContact NH2-CD 3.32Å; R102-E156 IonicContact NH2-OE1 2.96Å; R102-E156 PolarHBondContact NH2-OE1 3.39Å; R102-E156 IonicContact NH2-OE2 3.54Å; R102-E156 PolarHBondContact NH2-OE2 3.23Å; G106-E156 VanDerWaalsContact N-CD 3.32Å; G106-E156 PolarHBondContact N-OE2 3.28Å; F108-E156 HydrophobicContact CE2-CB 4.41Å; F108-E156 WeakPolarHBondContact CE2-O 3.38Å; F108-E156 HydrophobicContact CZ-CB 4.26Å; V150-E156 HydrophobicContact CG2-CB 4.34Å; S153-E156 PolarHBondContact O-N 3.48Å; S153-E156 PolarHBondContact OG-N 3.44Å; E154-E156 VanDerWaalsContact C-N 3.33Å; E154-E156 PolarHBondContact O-N 3Å; E156-E158 VanDerWaalsContact C-N 3.35Å; E156-L160 VanDerWaalsContact O-CB 3.27Å; E156-L160 WeakPolarHBondContact O-CB 3.29Å; E156-L160 PolarHBondContact O-N 3.15Å
157	I	98.8	Very high	98.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66	-40.1	174.2	-64.5	175.7	0	0	0	110.6	V150 S153 E154 D155 S161 L195 H198	V150-I157 HydrophobicContact CG1-CG1 3.91Å; V150-I157 WeakPolarHBondContact O-CG1 3.45Å; S153-I157 WeakPolarHBondContact O-CG1 3.26Å; S153-I157 PolarHBondContact O-N 2.97Å; S153-I157 VanDerWaalsContact O-N 3.07Å; E154-I157 PolarHBondContact O-N 3.48Å; D155-I157 PolarHBondContact O-N 2.98Å; I157-S161 WeakPolarHBondContact O-CB 3.5Å; I157-S161 PolarHBondContact O-N 3.3Å; I157-S161 PolarHBondContact O-OG 3.34Å; I157-L195 HydrophobicContact CB-CD1 4.48Å; I157-L195 HydrophobicContact CG1-CD1 4.05Å; I157-L195 HydrophobicContact CG2-CD1 3.96Å; I157-H198 HydrophobicContact CG2-CB 3.63Å; I157-H198 VanDerWaalsContact CG2-CG 3.42Å
158	E	98.6	Very high	98.4	Very high	90 Å²	90	39.5 Å²	39.5	42%	0.421	23%	0.225	S	C	.	.	H	α-helix	trans	-67.1	-47.4	177	-174.5	61.4	-161.3	0	0	111.6	E154 D155 E156 L160 S161 G162 H198	E154-E158 PolarHBondContact O-N 3.19Å; D155-E158 PolarHBondContact O-N 2.98Å; E156-E158 VanDerWaalsContact C-N 3.35Å; E158-L160 VanDerWaalsContact C-N 3.3Å; E158-L160 PolarHBondContact O-N 2.99Å; E158-S161 PolarHBondContact O-N 3.29Å; E158-S161 VanDerWaalsContact O-N 3.13Å; E158-G162 PolarHBondContact O-N 3.43Å; E158-H198 IonicContact OE2-CD2 3.9Å; E158-H198 IonicContact OE2-CE1 3.36Å; E158-H198 IonicContact OE2-NE2 2.79Å; E158-H198 PolarHBondContact OE2-NE2 3.44Å
159	E	98.6	Very high	98.4	Very high	117 Å²	117	43.4 Å²	43.4	55%	0.547	24%	0.241	S	C	.	.	H	α-helix	trans	-59.5	-41.6	176.6	-69.8	-63.8	161	0	0	111.6	F108 D155 S161 G162 E163	F108-E159 HydrophobicContact CD2-CB 4.15Å; F108-E159 HydrophobicContact CE2-CB 4.08Å; D155-E159 VanDerWaalsContact O-CG 3.3Å; D155-E159 WeakPolarHBondContact O-CG 3.1Å; D155-E159 PolarHBondContact O-N 2.83Å; E159-S161 PolarHBondContact O-N 2.77Å; E159-G162 PolarHBondContact O-N 3.03Å; E159-E163 PolarHBondContact O-N 2.86Å
160	L	98.6	Very high	98.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-47.4	174	-178	156	0	0	0	111.7	L100 F108 F139 W142 V150 E156 E158 G162 E163 L164 V199	L100-L160 HydrophobicContact CD2-CD1 3.78Å; L100-L160 HydrophobicContact CD2-CD2 3.96Å; L100-L160 HydrophobicContact CD2-CG 3.77Å; F108-L160 HydrophobicContact CD1-CB 4.25Å; F108-L160 HydrophobicContact CD1-CD1 4.08Å; F108-L160 HydrophobicContact CD1-CG 4.23Å; F108-L160 VanDerWaalsContact CD2-CA 3.48Å; F108-L160 HydrophobicContact CD2-CB 3.78Å; F108-L160 HydrophobicContact CE1-CB 4.21Å; F108-L160 HydrophobicContact CE1-CD1 3.84Å; F108-L160 HydrophobicContact CE1-CG 4.36Å; F108-L160 HydrophobicContact CE2-CB 3.73Å; F108-L160 HydrophobicContact CG-CB 4.05Å; F108-L160 HydrophobicContact CG-CG 4.34Å; F108-L160 HydrophobicContact CZ-CB 3.95Å; F108-L160 HydrophobicContact CZ-CD1 4.21Å; F139-L160 HydrophobicContact CE1-CD1 4.01Å; F139-L160 HydrophobicContact CZ-CD1 4.46Å; F139-L160 HydrophobicContact CZ-CD2 4.46Å; W142-L160 HydrophobicContact CH2-CD1 3.68Å; W142-L160 HydrophobicContact CZ2-CD1 4.11Å; V150-L160 HydrophobicContact CG1-CD1 4.45Å; E156-L160 VanDerWaalsContact O-CB 3.27Å; E156-L160 WeakPolarHBondContact O-CB 3.29Å; E156-L160 PolarHBondContact O-N 3.15Å; E158-L160 VanDerWaalsContact C-N 3.3Å; E158-L160 PolarHBondContact O-N 2.99Å; L160-G162 VanDerWaalsContact C-N 3.31Å; L160-E163 PolarHBondContact O-N 2.97Å; L160-L164 HydrophobicContact CD2-CD1 3.94Å; L160-L164 PolarHBondContact O-N 3.02Å; L160-V199 HydrophobicContact CD2-CG2 3.65Å
161	S	98.6	Very high	98.4	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.1	-37.8	-179.2	-56.8	0	0	0	0	111.2	I157 E158 E159 L164 V165 V199	I157-S161 WeakPolarHBondContact O-CB 3.5Å; I157-S161 PolarHBondContact O-N 3.3Å; I157-S161 PolarHBondContact O-OG 3.34Å; E158-S161 PolarHBondContact O-N 3.29Å; E158-S161 VanDerWaalsContact O-N 3.13Å; E159-S161 PolarHBondContact O-N 2.77Å; S161-L164 PolarHBondContact O-N 3.14Å; S161-V165 WeakPolarHBondContact O-CG2 3.22Å; S161-V165 PolarHBondContact O-N 2.76Å; S161-V199 WeakPolarHBondContact OG-CG2 3.42Å
162	G	98.6	Very high	98.4	Very high	23 Å²	23	50.7 Å²	50.7	24%	0.237	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-48.2	174.9	0	0	0	0	0	112.3	E158 E159 L160 L164 V165 D166	E158-G162 PolarHBondContact O-N 3.43Å; E159-G162 PolarHBondContact O-N 3.03Å; L160-G162 VanDerWaalsContact C-N 3.31Å; G162-L164 VanDerWaalsContact C-N 3.33Å; G162-L164 PolarHBondContact O-N 3.36Å; G162-V165 WeakPolarHBondContact O-CB 3.43Å; G162-V165 PolarHBondContact O-N 3.35Å; G162-V165 VanDerWaalsContact O-N 3.12Å; G162-D166 PolarHBondContact O-N 3.02Å
163	E	98.7	Very high	98.4	Very high	51 Å²	51	47.8 Å²	47.8	24%	0.238	26%	0.257	C	S	.	.	H	α-helix	trans	-56.7	-45.7	176.2	174.5	60.8	-166.4	0	0	111.6	F108 V110 E159 L160 V165 D166 V167	F108-E163 HydrophobicContact CB-CB 4.19Å; F108-E163 HydrophobicContact CB-CG 4.13Å; V110-E163 HydrophobicContact CG2-CG 4.16Å; V110-E163 PolarHBondContact N-OE1 3.44Å; E159-E163 PolarHBondContact O-N 2.86Å; L160-E163 PolarHBondContact O-N 2.97Å; E163-V165 PolarHBondContact O-N 3.44Å; E163-D166 PolarHBondContact O-N 3.41Å; E163-V167 WeakPolarHBondContact O-CB 3.42Å; E163-V167 VanDerWaalsContact O-CG2 3.31Å; E163-V167 WeakPolarHBondContact O-CG2 3.39Å; E163-V167 PolarHBondContact O-N 3.47Å; E163-V167 WeakPolarHBondContact OE1-CG2 3.22Å
164	L	98.8	Very high	98.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-45.4	176.1	-67.4	176.7	0	0	0	111.8	L100 V110 V137 L160 S161 G162 D166 V167 A168 F176 L178 V199 L203	L100-L164 HydrophobicContact CD1-CD2 4.29Å; V110-L164 HydrophobicContact CG2-CD2 3.98Å; V137-L164 HydrophobicContact CG1-CD2 4.23Å; V137-L164 HydrophobicContact CG2-CD2 4.43Å; L160-L164 HydrophobicContact CD2-CD1 3.94Å; L160-L164 PolarHBondContact O-N 3.02Å; S161-L164 PolarHBondContact O-N 3.14Å; G162-L164 VanDerWaalsContact C-N 3.33Å; G162-L164 PolarHBondContact O-N 3.36Å; L164-D166 VanDerWaalsContact C-N 3.33Å; L164-D166 PolarHBondContact O-N 2.86Å; L164-V167 PolarHBondContact O-N 2.04Å; L164-A168 WeakPolarHBondContact O-CB 3.2Å; L164-A168 PolarHBondContact O-N 3.39Å; L164-F176 HydrophobicContact CB-CD2 4.34Å; L164-F176 HydrophobicContact CB-CE2 3.9Å; L164-F176 HydrophobicContact CD2-CD2 4.5Å; L164-F176 HydrophobicContact CD2-CE2 4.31Å; L164-F176 WeakPolarHBondContact O-CE2 3.46Å; L164-F176 WeakPolarHBondContact O-CZ 3.41Å; L164-L178 HydrophobicContact CD1-CD2 4.37Å; L164-V199 HydrophobicContact CD1-CG1 3.7Å; L164-L203 HydrophobicContact CB-CD2 4.29Å
165	V	98.9	Very high	98.4	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.03	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-44.1	177.4	165	0	0	0	0	111.5	S161 G162 E163 A168 K169 T202 L203 K206 L208	S161-V165 WeakPolarHBondContact O-CG2 3.22Å; S161-V165 PolarHBondContact O-N 2.76Å; G162-V165 WeakPolarHBondContact O-CB 3.43Å; G162-V165 PolarHBondContact O-N 3.35Å; G162-V165 VanDerWaalsContact O-N 3.12Å; E163-V165 PolarHBondContact O-N 3.44Å; V165-A168 PolarHBondContact O-N 3.44Å; V165-K169 HydrophobicContact CG1-CD 4.07Å; V165-K169 VanDerWaalsContact CG1-CE 3.49Å; V165-K169 VanDerWaalsContact CG1-NZ 3.26Å; V165-K169 WeakPolarHBondContact O-CG 3.32Å; V165-K169 PolarHBondContact O-N 3.34Å; V165-T202 HydrophobicContact CG2-CG2 4Å; V165-L203 HydrophobicContact CG2-CD2 3.95Å; V165-K206 HydrophobicContact CG1-CB 4.46Å; V165-K206 HydrophobicContact CG1-CG 3.89Å; V165-K206 HydrophobicContact CG2-CG 4.04Å; V165-L208 HydrophobicContact CG2-CD1 4.31Å
166	D	98.7	Very high	98.4	Very high	90 Å²	90	37 Å²	37	48%	0.481	20%	0.2	S	C	.	.	H	α-helix	trans	-69.4	-41.5	-176.8	-75.9	-11.3	0	0	0	111.5	G162 E163 L164 K169 T170	G162-D166 PolarHBondContact O-N 3.02Å; E163-D166 PolarHBondContact O-N 3.41Å; L164-D166 VanDerWaalsContact C-N 3.33Å; L164-D166 PolarHBondContact O-N 2.86Å; D166-K169 PolarHBondContact O-N 2.98Å; D166-T170 VanDerWaalsContact O-CB 3.27Å; D166-T170 WeakPolarHBondContact O-CB 3.4Å; D166-T170 PolarHBondContact O-N 3.43Å; D166-T170 PolarHBondContact O-OG1 3.35Å
167	V	98.6	Very high	98.5	Very high	12 Å²	12	36 Å²	36	7%	0.073	20%	0.195	C	C	.	.	H	α-helix	trans	-61.4	-46.9	172.8	170.6	0	0	0	0	111	V110 L113 E163 L164 K169 T170 E171 F173 F176	V110-V167 HydrophobicContact CB-CG1 4.3Å; V110-V167 HydrophobicContact CB-CG2 3.92Å; V110-V167 HydrophobicContact CG1-CG1 4.24Å; V110-V167 HydrophobicContact CG2-CB 4.43Å; V110-V167 HydrophobicContact CG2-CG2 3.9Å; L113-V167 HydrophobicContact CD2-CG1 4.05Å; E163-V167 WeakPolarHBondContact O-CB 3.42Å; E163-V167 VanDerWaalsContact O-CG2 3.31Å; E163-V167 WeakPolarHBondContact O-CG2 3.39Å; E163-V167 PolarHBondContact O-N 3.47Å; E163-V167 WeakPolarHBondContact OE1-CG2 3.22Å; L164-V167 PolarHBondContact O-N 2.04Å; V167-K169 VanDerWaalsContact C-N 3.32Å; V167-K169 PolarHBondContact O-N 3.17Å; V167-T170 PolarHBondContact O-N 2.91Å; V167-E171 HydrophobicContact CG1-CG 4.27Å; V167-E171 WeakPolarHBondContact O-CB 3.31Å; V167-E171 WeakPolarHBondContact O-CG 3.5Å; V167-E171 PolarHBondContact O-N 3.4Å; V167-F173 HydrophobicContact CG1-CE2 4.31Å; V167-F176 HydrophobicContact CG1-CZ 4.26Å
168	A	98.6	Very high	98.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-43.4	179.6	0	0	0	0	0	112.5	L164 V165 G172 F173 F176 L208	L164-A168 WeakPolarHBondContact O-CB 3.2Å; L164-A168 PolarHBondContact O-N 3.39Å; V165-A168 PolarHBondContact O-N 3.44Å; A168-G172 CarbonylContact O-C 3.55Å; A168-G172 WeakPolarHBondContact O-CA 3.49Å; A168-G172 PolarHBondContact O-N 2.71Å; A168-F173 HydrophobicContact CB-CB 4.32Å; A168-F173 PolarHBondContact O-N 3.5Å; A168-F176 HydrophobicContact CB-CE2 3.68Å; A168-F176 HydrophobicContact CB-CZ 3.73Å; A168-L208 HydrophobicContact CB-CD1 3.56Å; A168-L208 HydrophobicContact CB-CD2 3.83Å; A168-L208 HydrophobicContact CB-CG 4.31Å
169	K	98.3	Very high	98.4	Very high	121 Å²	121	34.3 Å²	34.3	53%	0.526	19%	0.188	S	C	.	.	H	α-helix	trans	-67.9	-42.9	177.9	-72.5	170.8	-177.4	162.8	0	112.4	V165 D166 V167 G172	V165-K169 HydrophobicContact CG1-CD 4.07Å; V165-K169 VanDerWaalsContact CG1-CE 3.49Å; V165-K169 VanDerWaalsContact CG1-NZ 3.26Å; V165-K169 WeakPolarHBondContact O-CG 3.32Å; V165-K169 PolarHBondContact O-N 3.34Å; D166-K169 PolarHBondContact O-N 2.98Å; V167-K169 VanDerWaalsContact C-N 3.32Å; V167-K169 PolarHBondContact O-N 3.17Å; K169-G172 PolarHBondContact O-N 2.83Å
170	T	97.6	Very high	98.3	Very high	112 Å²	112	28.8 Å²	28.8	69%	0.687	16%	0.162	S	C	*	.	H	α-helix	trans	-64.9	-44.5	-177.7	-60.2	0	0	0	0	111	D166 V167	D166-T170 VanDerWaalsContact O-CB 3.27Å; D166-T170 WeakPolarHBondContact O-CB 3.4Å; D166-T170 PolarHBondContact O-N 3.43Å; D166-T170 PolarHBondContact O-OG1 3.35Å; V167-T170 PolarHBondContact O-N 2.91Å
171	E	97.3	Very high	98.1	Very high	60 Å²	60	28.9 Å²	28.9	28%	0.28	16%	0.162	S	C	.	.	H	α-helix	trans	-87.2	-9.2	-178	-60.2	-60	140.5	0	0	113.4	L113 H116 V167 F173	L113-E171 HydrophobicContact CD2-CG 3.71Å; H116-E171 PolarHBondContact CE1-O 2.74Å; H116-E171 IonicContact CE1-OE2 3.89Å; H116-E171 PolarHBondContact CE1-OE2 2.99Å; H116-E171 IonicContact CG-OE2 2.72Å; H116-E171 IonicContact ND1-OE2 3.22Å; H116-E171 PolarHBondContact ND1-OE2 3.01Å; V167-E171 HydrophobicContact CG1-CG 4.27Å; V167-E171 WeakPolarHBondContact O-CB 3.31Å; V167-E171 WeakPolarHBondContact O-CG 3.5Å; V167-E171 PolarHBondContact O-N 3.4Å; E171-F173 VanDerWaalsContact C-N 3.34Å; E171-F173 HydrophobicContact CB-CD1 4.15Å; E171-F173 HydrophobicContact CB-CD2 3.76Å; E171-F173 HydrophobicContact CB-CE1 3.86Å; E171-F173 HydrophobicContact CB-CE2 3.44Å; E171-F173 VanDerWaalsContact CB-CE2 3.44Å; E171-F173 HydrophobicContact CB-CG 4.1Å; E171-F173 HydrophobicContact CB-CZ 3.5Å; E171-F173 VanDerWaalsContact CB-CZ 3.5Å; E171-F173 HydrophobicContact CG-CD2 4.44Å; E171-F173 HydrophobicContact CG-CE2 3.8Å; E171-F173 HydrophobicContact CG-CZ 3.99Å
172	G	96.7	Very high	97.8	Very high	38 Å²	38	31.1 Å²	31.1	39%	0.392	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	31.4	-177.4	0	0	0	0	0	113.6	R125 A168 K169	R125-G172 PolarHBondContact NH2-O 3.22Å; A168-G172 CarbonylContact O-C 3.55Å; A168-G172 WeakPolarHBondContact O-CA 3.49Å; A168-G172 PolarHBondContact O-N 2.71Å; K169-G172 PolarHBondContact O-N 2.83Å
173	F	98.3	Very high	97.4	Very high	10 Å²	10	34.1 Å²	34.1	4%	0.044	19%	0.185	C	C	.	.			trans	-73.4	152.6	170	-57.5	-35.3	0	0	0	110.9	L98 L113 H116 P135 V167 A168 E171 F176	L98-F173 HydrophobicContact CD1-CD2 4.46Å; L98-F173 HydrophobicContact CD1-CE2 3.82Å; L98-F173 HydrophobicContact CD1-CZ 4.49Å; L113-F173 HydrophobicContact CD2-CE2 4.2Å; L113-F173 HydrophobicContact CD2-CZ 4.44Å; H116-F173 AromaticContact CD2-CE1 3.94Å; H116-F173 AromaticContact CE1-CE1 3.69Å; H116-F173 AromaticContact ND1-CE1 3.85Å; H116-F173 AromaticContact ND1-CZ 3.85Å; H116-F173 AromaticContact NE2-CE1 3.76Å; P135-F173 HydrophobicContact CG-CD1 3.71Å; P135-F173 HydrophobicContact CG-CD2 3.91Å; P135-F173 HydrophobicContact CG-CE1 3.78Å; P135-F173 HydrophobicContact CG-CE2 3.97Å; P135-F173 HydrophobicContact CG-CG 3.8Å; P135-F173 HydrophobicContact CG-CZ 3.9Å; V167-F173 HydrophobicContact CG1-CE2 4.31Å; A168-F173 HydrophobicContact CB-CB 4.32Å; A168-F173 PolarHBondContact O-N 3.5Å; E171-F173 VanDerWaalsContact C-N 3.34Å; E171-F173 HydrophobicContact CB-CD1 4.15Å; E171-F173 HydrophobicContact CB-CD2 3.76Å; E171-F173 HydrophobicContact CB-CE1 3.86Å; E171-F173 HydrophobicContact CB-CE2 3.44Å; E171-F173 VanDerWaalsContact CB-CE2 3.44Å; E171-F173 HydrophobicContact CB-CG 4.1Å; E171-F173 HydrophobicContact CB-CZ 3.5Å; E171-F173 VanDerWaalsContact CB-CZ 3.5Å; E171-F173 HydrophobicContact CG-CD2 4.44Å; E171-F173 HydrophobicContact CG-CE2 3.8Å; E171-F173 HydrophobicContact CG-CZ 3.99Å; F173-F176 AromaticContact CD2-CE1 3.83Å; F173-F176 HydrophobicContact CD2-CE1 3.83Å; F173-F176 HydrophobicContact CD2-CZ 4.24Å; F173-F176 HydrophobicContact CE2-CE1 4.46Å
174	D	98.7	Very high	97.1	Very high	27 Å²	27	32.6 Å²	32.6	14%	0.144	18%	0.179	C	C	.	.			trans	-90.8	-6.3	-179.7	-72.4	-63.1	0	0	0	112.1	R125 R132 M133 V134 L208 D209	R125-D174 IonicContact CZ-OD2 3.85Å; R125-D174 IonicContact NH2-OD1 3.86Å; R125-D174 IonicContact NH2-OD2 2.75Å; R125-D174 PolarHBondContact NH2-OD2 2.9Å; R132-D174 WeakPolarHBondContact CA-OD2 3.48Å; R132-D174 HydrophobicContact CB-CB 3.94Å; R132-D174 VanDerWaalsContact CZ-CB 3.42Å; R132-D174 IonicContact CZ-OD1 3.82Å; R132-D174 VanDerWaalsContact NH1-CG 3.32Å; R132-D174 IonicContact NH1-OD1 3.75Å; R132-D174 PolarHBondContact NH1-OD1 3.32Å; R132-D174 PolarHBondContact NH2-O 3.25Å; M133-D174 PolarHBondContact N-OD2 2.86Å; M133-D174 WeakPolarHBondContact O-CB 3.5Å; M133-D174 PolarHBondContact O-N 3.41Å; V134-D174 HydrophobicContact CG1-CB 4.48Å; D174-L208 CarbonylContact O-C 3.56Å; D174-L208 WeakPolarHBondContact O-CA 3.32Å; D174-D209 PolarHBondContact O-N 3.12Å
175	G	98.8	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.9	-161.7	-174.1	0	0	0	0	0	111.5	V134 P135 D209	V134-G175 WeakPolarHBondContact CA-O 3.3Å; P135-G175 WeakPolarHBondContact CD-O 3.39Å; G175-D209 CarbonylContact C-O 3.22Å; G175-D209 WeakPolarHBondContact CA-O 3.37Å
176	F	98.9	Very high	96.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	155.2	178.9	-61.2	-72.7	0	0	0	113.2	L98 P135 V137 L164 V167 A168 F173 L178 L203 D209 I211	L98-F176 HydrophobicContact CD1-CD1 4.35Å; L98-F176 HydrophobicContact CD1-CE1 3.88Å; P135-F176 WeakPolarHBondContact O-CA 3.49Å; V137-F176 HydrophobicContact CG2-CB 4.04Å; V137-F176 HydrophobicContact CG2-CD1 3.31Å; V137-F176 HydrophobicContact CG2-CE1 3.9Å; V137-F176 HydrophobicContact CG2-CG 3.8Å; L164-F176 HydrophobicContact CB-CD2 4.34Å; L164-F176 HydrophobicContact CB-CE2 3.9Å; L164-F176 HydrophobicContact CD2-CD2 4.5Å; L164-F176 HydrophobicContact CD2-CE2 4.31Å; L164-F176 WeakPolarHBondContact O-CE2 3.46Å; L164-F176 WeakPolarHBondContact O-CZ 3.41Å; V167-F176 HydrophobicContact CG1-CZ 4.26Å; A168-F176 HydrophobicContact CB-CE2 3.68Å; A168-F176 HydrophobicContact CB-CZ 3.73Å; F173-F176 AromaticContact CD2-CE1 3.83Å; F173-F176 HydrophobicContact CD2-CE1 3.83Å; F173-F176 HydrophobicContact CD2-CZ 4.24Å; F173-F176 HydrophobicContact CE2-CE1 4.46Å; F176-L178 HydrophobicContact CB-CD2 3.94Å; F176-L203 HydrophobicContact CD2-CD1 4.18Å; F176-L203 HydrophobicContact CD2-CD2 4.05Å; F176-L203 HydrophobicContact CE2-CD2 4.18Å; F176-D209 PolarHBondContact N-O 3.37Å; F176-I211 PolarHBondContact O-N 3.43Å
177	T	98.9	Very high	95.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	102.6	165.2	-55.6	0	0	0	0	109.1	L69 Y71 S94 V134 P135 R136 V137 I211 V213	L69-T177 HydrophobicContact CD2-CG2 4.48Å; Y71-T177 HydrophobicContact CE1-CG2 4.28Å; Y71-T177 VanDerWaalsContact OH-CG2 3.3Å; Y71-T177 WeakPolarHBondContact OH-CG2 3.48Å; S94-T177 WeakPolarHBondContact OG-CB 3.48Å; S94-T177 PolarHBondContact OG-OG1 2.97Å; V134-T177 PolarHBondContact O-OG1 2.88Å; P135-T177 PolarHBondContact O-N 2.68Å; R136-T177 CarbonylContact C-O 3.54Å; R136-T177 VanDerWaalsContact CA-O 3.22Å; R136-T177 WeakPolarHBondContact CA-O 3.27Å; V137-T177 PolarHBondContact N-O 2.92Å; T177-I211 CarbonylContact C-O 3.44Å; T177-I211 VanDerWaalsContact CA-O 3.3Å; T177-I211 WeakPolarHBondContact CA-O 3.46Å; T177-I211 HydrophobicContact CG2-CB 4.26Å; T177-I211 HydrophobicContact CG2-CG2 3.99Å; T177-V213 HydrophobicContact CG2-CG2 3.59Å
178	L	98.6	Very high	95.6	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.5	-173.7	-56.1	-176.8	0	0	0	111.5	V137 L164 F176 L180 V199 C210 I211 L212 V213	V137-L178 HydrophobicContact CB-CD2 4.28Å; L164-L178 HydrophobicContact CD1-CD2 4.37Å; F176-L178 HydrophobicContact CB-CD2 3.94Å; L178-L180 HydrophobicContact CB-CD2 3.93Å; L178-V199 HydrophobicContact CD1-CG1 3.74Å; L178-C210 VanDerWaalsContact CD1-SG 3.58Å; L178-I211 PolarHBondContact N-O 3.48Å; L178-L212 HydrophobicContact CB-CD1 4.29Å; L178-V213 WeakPolarHBondContact O-CG2 3.5Å; L178-V213 PolarHBondContact O-N 3.47Å
179	E	97.8	Very high	95.4	Very high	53 Å²	53	42.6 Å²	42.6	25%	0.248	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	96.3	175.1	-168.9	-177.8	134.5	0	0	110.6	R136 V137 L138 F139 V213	R136-E179 VanDerWaalsContact CD-OE2 3.24Å; R136-E179 WeakPolarHBondContact CD-OE2 3.15Å; R136-E179 HydrophobicContact CG-CB 4.37Å; R136-E179 IonicContact CZ-OE2 2.73Å; R136-E179 IonicContact NE-OE2 3.49Å; R136-E179 IonicContact NH1-OE1 2.75Å; R136-E179 PolarHBondContact NH1-OE1 2.84Å; R136-E179 IonicContact NH1-OE2 3.86Å; R136-E179 PolarHBondContact NH1-OE2 2.82Å; V137-E179 PolarHBondContact O-N 2.99Å; L138-E179 HydrophobicContact CD1-CB 4.22Å; L138-E179 HydrophobicContact CD1-CG 4.07Å; L138-E179 WeakPolarHBondContact CD1-O 3.41Å; F139-E179 PolarHBondContact N-O 3.39Å; E179-V213 HydrophobicContact CB-CB 4.2Å; E179-V213 HydrophobicContact CB-CG2 4Å; E179-V213 HydrophobicContact CG-CB 4.14Å; E179-V213 HydrophobicContact CG-CG1 4.23Å; E179-V213 HydrophobicContact CG-CG2 4.32Å
180	L	95.9	Very high	95.4	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	25%	0.248	C	C	.	.			trans	-141.7	-19.9	178.9	71.3	167	0	0	0	114.1	F139 L178 S182 Q183 L192 L195 V196 L212	F139-L180 HydrophobicContact CB-CB 4.12Å; F139-L180 HydrophobicContact CD1-CB 4.27Å; F139-L180 HydrophobicContact CD1-CD1 4.36Å; F139-L180 HydrophobicContact CD2-CB 3.62Å; F139-L180 HydrophobicContact CD2-CD1 4.43Å; F139-L180 HydrophobicContact CD2-CG 4.46Å; F139-L180 HydrophobicContact CE1-CD1 4.01Å; F139-L180 HydrophobicContact CE2-CB 4.06Å; F139-L180 HydrophobicContact CE2-CD1 4.09Å; F139-L180 HydrophobicContact CE2-CD2 4.38Å; F139-L180 HydrophobicContact CE2-CG 4.41Å; F139-L180 HydrophobicContact CG-CB 3.75Å; F139-L180 HydrophobicContact CZ-CD1 3.87Å; L178-L180 HydrophobicContact CB-CD2 3.93Å; L180-S182 VanDerWaalsContact C-N 3.32Å; L180-S182 PolarHBondContact O-N 2.69Å; L180-Q183 VanDerWaalsContact O-CB 3.29Å; L180-Q183 WeakPolarHBondContact O-CB 3.1Å; L180-Q183 VanDerWaalsContact O-CG 3.26Å; L180-Q183 WeakPolarHBondContact O-CG 3.35Å; L180-Q183 PolarHBondContact O-N 2.89Å; L180-L192 HydrophobicContact CD1-CD2 4.01Å; L180-L192 HydrophobicContact CG-CD2 4.38Å; L180-L195 HydrophobicContact CD1-CD2 3.84Å; L180-V196 HydrophobicContact CD1-CG2 4.07Å; L180-V196 HydrophobicContact CD2-CG2 4.03Å; L180-V196 HydrophobicContact CG-CG2 4.4Å; L180-L212 HydrophobicContact CD2-CD1 3.67Å
181	W	95.6	Very high	95.4	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.008	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-58.5	-42.8	-166.1	-164.1	-90.6	0	0	0	113.5	Q183 L192 V193 L212 M226 F227 E231 L235	W181-Q183 VanDerWaalsContact C-N 3.28Å; W181-Q183 PolarHBondContact O-N 3.35Å; W181-L192 HydrophobicContact CE3-CB 4.37Å; W181-L192 HydrophobicContact CH2-CB 4.38Å; W181-L192 HydrophobicContact CZ3-CB 4.02Å; W181-V193 HydrophobicContact CH2-CG2 3.76Å; W181-V193 HydrophobicContact CZ3-CG2 4.38Å; W181-L212 HydrophobicContact CE3-CD2 4.17Å; W181-L212 HydrophobicContact CZ3-CD2 4.48Å; W181-M226 PolarHBondContact NE1-O 2.81Å; W181-F227 AromaticContact CD2-CD2 3.64Å; W181-F227 HydrophobicContact CD2-CD2 3.64Å; W181-F227 HydrophobicContact CD2-CE2 4.25Å; W181-F227 AromaticContact CE2-CD2 3.33Å; W181-F227 HydrophobicContact CE3-CD2 4.1Å; W181-F227 HydrophobicContact CE3-CE2 4.25Å; W181-F227 HydrophobicContact CG-CD2 4.13Å; W181-F227 AromaticContact CH2-CD2 3.95Å; W181-F227 HydrophobicContact CH2-CD2 3.95Å; W181-F227 AromaticContact CH2-CE2 3.95Å; W181-F227 HydrophobicContact CH2-CE2 3.95Å; W181-F227 AromaticContact CZ2-CD2 3.5Å; W181-F227 HydrophobicContact CZ2-CD2 3.5Å; W181-F227 VanDerWaalsContact CZ2-CD2 3.5Å; W181-F227 AromaticContact CZ2-CE2 3.98Å; W181-F227 HydrophobicContact CZ2-CE2 3.98Å; W181-F227 HydrophobicContact CZ2-CG 4.39Å; W181-F227 HydrophobicContact CZ3-CD2 4.25Å; W181-F227 HydrophobicContact CZ3-CE2 4.11Å; W181-F227 AromaticContact NE1-CD2 3.65Å; W181-E231 HydrophobicContact CH2-CB 3.73Å; W181-E231 HydrophobicContact CH2-CG 3.83Å; W181-E231 HydrophobicContact CZ2-CB 3.84Å; W181-E231 HydrophobicContact CZ2-CG 3.71Å; W181-L235 HydrophobicContact CH2-CD1 4.07Å; W181-L235 HydrophobicContact CZ3-CD1 3.73Å
182	S	91.9	Very high	95.4	Very high	46 Å²	46	40 Å²	40	32%	0.322	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-79.2	-7.5	-177.2	-59.8	0	0	0	0	113.9	L180 L184 G185 M226	L180-S182 VanDerWaalsContact C-N 3.32Å; L180-S182 PolarHBondContact O-N 2.69Å; S182-L184 VanDerWaalsContact C-N 3.27Å; S182-L184 PolarHBondContact O-N 3.35Å; S182-G185 PolarHBondContact O-N 3.48Å; S182-M226 WeakPolarHBondContact OG-CE 3.39Å
183	Q	90.8	Very high	95.5	Very high	86 Å²	86	38.3 Å²	38.3	40%	0.402	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-68	-24.4	-171.3	-60.5	-59.2	-26.3	0	0	113.5	Y147 L180 W181	Y147-Q183 HydrophobicContact CE2-CB 4.45Å; Y147-Q183 VanDerWaalsContact OH-CB 3.22Å; Y147-Q183 WeakPolarHBondContact OH-CB 3.1Å; L180-Q183 VanDerWaalsContact O-CB 3.29Å; L180-Q183 WeakPolarHBondContact O-CB 3.1Å; L180-Q183 VanDerWaalsContact O-CG 3.26Å; L180-Q183 WeakPolarHBondContact O-CG 3.35Å; L180-Q183 PolarHBondContact O-N 2.89Å; W181-Q183 VanDerWaalsContact C-N 3.28Å; W181-Q183 PolarHBondContact O-N 3.35Å
184	L	90.9	Very high	95.5	Very high	19 Å²	19	41.4 Å²	41.4	10%	0.099	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-103.6	13.5	178.9	-65.5	179.3	0	0	0	113.7	Y144 Y147 F151 S182 G186 N187 K188 L192	Y144-L184 HydrophobicContact CD2-CD2 4.16Å; Y147-L184 HydrophobicContact CD1-CD1 4Å; Y147-L184 HydrophobicContact CD1-CG 4.41Å; Y147-L184 HydrophobicContact CD2-CD1 4.41Å; Y147-L184 HydrophobicContact CD2-CD2 3.59Å; Y147-L184 HydrophobicContact CD2-CG 4.21Å; Y147-L184 HydrophobicContact CE2-CD2 3.96Å; Y147-L184 HydrophobicContact CE2-CG 4.36Å; Y147-L184 HydrophobicContact CG-CD1 3.94Å; Y147-L184 HydrophobicContact CG-CD2 3.95Å; Y147-L184 HydrophobicContact CG-CG 4.23Å; F151-L184 HydrophobicContact CE2-CD1 3.72Å; F151-L184 HydrophobicContact CZ-CD1 3.87Å; S182-L184 VanDerWaalsContact C-N 3.27Å; S182-L184 PolarHBondContact O-N 3.35Å; L184-G186 PolarHBondContact O-N 3.22Å; L184-N187 WeakPolarHBondContact O-CB 3.37Å; L184-N187 PolarHBondContact O-N 3.37Å; L184-N187 VanDerWaalsContact O-N 3.15Å; L184-N187 PolarHBondContact O-ND2 3.26Å; L184-K188 HydrophobicContact CD1-CB 3.92Å; L184-K188 HydrophobicContact CD1-CG 4.34Å; L184-L192 HydrophobicContact CD1-CD1 4.33Å; L184-L192 HydrophobicContact CD1-CG 4.44Å
185	G	88.3	Confident	95.5	Very high	52 Å²	52	40.2 Å²	40.2	54%	0.536	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	30.8	176.7	0	0	0	0	0	113.8	S182 N187	S182-G185 PolarHBondContact O-N 3.48Å; G185-N187 VanDerWaalsContact C-N 3.34Å
186	G	87.9	Confident	95.5	Very high	12 Å²	12	40.2 Å²	40.2	12%	0.124	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	6.4	179	0	0	0	0	0	115.1	L184 R189 M226	L184-G186 PolarHBondContact O-N 3.22Å; G186-R189 VanDerWaalsContact O-CG 3.29Å; G186-R189 WeakPolarHBondContact O-CG 3.26Å; G186-R189 PolarHBondContact O-NE 3.49Å; G186-M226 PolarHBondContact N-SD 2.98Å
187	N	91.9	Very high	95.5	Very high	106 Å²	106	44.1 Å²	44.1	57%	0.567	22%	0.224	S	C	*	.			trans	-82.5	165.6	169.2	-62.1	-72	0	0	0	111	L184 G185 R189	L184-N187 WeakPolarHBondContact O-CB 3.37Å; L184-N187 PolarHBondContact O-N 3.37Å; L184-N187 VanDerWaalsContact O-N 3.15Å; L184-N187 PolarHBondContact O-ND2 3.26Å; G185-N187 VanDerWaalsContact C-N 3.34Å; N187-R189 PolarHBondContact O-N 2.9Å
188	K	95.7	Very high	95.5	Very high	66 Å²	66	45.9 Å²	45.9	29%	0.287	23%	0.232	S	C	.	.			trans	59.1	33.9	170.2	-60.2	-73.5	176.4	175.7	0	114.1	Y144 M148 F151 L184 K190 E191 L192	Y144-K188 VanDerWaalsContact OH-CE 3.31Å; Y144-K188 WeakPolarHBondContact OH-CE 3.08Å; M148-K188 HydrophobicContact CE-CB 4.49Å; M148-K188 HydrophobicContact CE-CD 3.76Å; M148-K188 HydrophobicContact CE-CG 3.7Å; M148-K188 HydrophobicContact SD-CD 4.05Å; M148-K188 VanDerWaalsContact SD-CE 3.54Å; F151-K188 HydrophobicContact CE2-CB 3.92Å; F151-K188 HydrophobicContact CE2-CG 4.45Å; L184-K188 HydrophobicContact CD1-CB 3.92Å; L184-K188 HydrophobicContact CD1-CG 4.34Å; K188-K190 PolarHBondContact O-N 2.62Å; K188-E191 VanDerWaalsContact C-OE2 3.27Å; K188-E191 VanDerWaalsContact CA-OE2 3.26Å; K188-E191 WeakPolarHBondContact CA-OE2 3.39Å; K188-E191 VanDerWaalsContact CD-CD 3.49Å; K188-E191 HydrophobicContact CD-CG 4.44Å; K188-E191 WeakPolarHBondContact CD-OE1 3.25Å; K188-E191 IonicContact NZ-OE1 3.55Å; K188-E191 PolarHBondContact NZ-OE1 3.37Å; K188-E191 PolarHBondContact O-N 3.05Å; K188-L192 WeakPolarHBondContact O-CB 3.39Å; K188-L192 WeakPolarHBondContact O-CG 3.29Å; K188-L192 PolarHBondContact O-N 2.88Å
189	R	95.3	Very high	95.5	Very high	81 Å²	81	45.9 Å²	45.9	31%	0.306	23%	0.232	S	C	.	.	H	α-helix	trans	-61.8	-41.3	-174.2	-56.8	-168.7	-169.1	-174.5	-5.5	112.6	G186 N187 L192 V193 G225 M226 E231	G186-R189 VanDerWaalsContact O-CG 3.29Å; G186-R189 WeakPolarHBondContact O-CG 3.26Å; G186-R189 PolarHBondContact O-NE 3.49Å; N187-R189 PolarHBondContact O-N 2.9Å; R189-L192 PolarHBondContact O-N 3.1Å; R189-V193 VanDerWaalsContact O-CG2 3.32Å; R189-V193 WeakPolarHBondContact O-CG2 3.08Å; R189-V193 PolarHBondContact O-N 2.73Å; R189-G225 PolarHBondContact NH2-O 2.85Å; R189-G225 VanDerWaalsContact NH2-O 3.11Å; R189-M226 PolarHBondContact NE-O 2.83Å; R189-E231 HydrophobicContact CB-CG 4.43Å; R189-E231 WeakPolarHBondContact CD-OE1 3.42Å; R189-E231 IonicContact CZ-OE1 2.98Å; R189-E231 IonicContact NE-OE1 3.77Å; R189-E231 IonicContact NH1-OE1 3.75Å; R189-E231 PolarHBondContact NH1-OE1 2.75Å; R189-E231 IonicContact NH1-OE2 2.69Å
190	K	97.2	Very high	95.6	Very high	174 Å²	174	43.4 Å²	43.4	76%	0.757	22%	0.221	S	C	*	.	H	α-helix	trans	-62.9	-44.8	178.5	-67.8	-174.6	176.5	-175.6	0	111.3	K188 L192 V193 H194	K188-K190 PolarHBondContact O-N 2.62Å; K190-L192 VanDerWaalsContact C-N 3.35Å; K190-V193 PolarHBondContact O-N 3.42Å; K190-H194 PolarHBondContact O-N 3.1Å
191	E	98.2	Very high	95.7	Very high	63 Å²	63	47.6 Å²	47.6	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-66.5	-37.3	177.3	-58.7	94.7	141.1	0	0	111.8	F151 K188 H194 L195	F151-E191 HydrophobicContact CB-CB 4.01Å; F151-E191 HydrophobicContact CB-CG 4.34Å; F151-E191 HydrophobicContact CD1-CB 4.04Å; F151-E191 HydrophobicContact CD2-CB 3.5Å; F151-E191 HydrophobicContact CD2-CG 4.18Å; F151-E191 HydrophobicContact CE1-CB 4.37Å; F151-E191 HydrophobicContact CE2-CB 3.89Å; F151-E191 HydrophobicContact CG-CB 3.61Å; F151-E191 HydrophobicContact CG-CG 4.37Å; F151-E191 HydrophobicContact CZ-CB 4.31Å; K188-E191 VanDerWaalsContact C-OE2 3.27Å; K188-E191 VanDerWaalsContact CA-OE2 3.26Å; K188-E191 WeakPolarHBondContact CA-OE2 3.39Å; K188-E191 VanDerWaalsContact CD-CD 3.49Å; K188-E191 HydrophobicContact CD-CG 4.44Å; K188-E191 WeakPolarHBondContact CD-OE1 3.25Å; K188-E191 IonicContact NZ-OE1 3.55Å; K188-E191 PolarHBondContact NZ-OE1 3.37Å; K188-E191 PolarHBondContact O-N 3.05Å; E191-H194 PolarHBondContact O-N 3.14Å; E191-L195 PolarHBondContact O-N 2.87Å
192	L	97.8	Very high	95.8	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-65.9	-42.6	172.6	-79	169.7	0	0	0	112.6	F151 L180 W181 L184 K188 R189 K190 H194 L195 V196	F151-L192 HydrophobicContact CE1-CD2 4.16Å; F151-L192 HydrophobicContact CZ-CD2 3.72Å; F151-L192 HydrophobicContact CZ-CG 3.88Å; L180-L192 HydrophobicContact CD1-CD2 4.01Å; L180-L192 HydrophobicContact CG-CD2 4.38Å; W181-L192 HydrophobicContact CE3-CB 4.37Å; W181-L192 HydrophobicContact CH2-CB 4.38Å; W181-L192 HydrophobicContact CZ3-CB 4.02Å; L184-L192 HydrophobicContact CD1-CD1 4.33Å; L184-L192 HydrophobicContact CD1-CG 4.44Å; K188-L192 WeakPolarHBondContact O-CB 3.39Å; K188-L192 WeakPolarHBondContact O-CG 3.29Å; K188-L192 PolarHBondContact O-N 2.88Å; R189-L192 PolarHBondContact O-N 3.1Å; K190-L192 VanDerWaalsContact C-N 3.35Å; L192-H194 VanDerWaalsContact C-N 3.3Å; L192-H194 PolarHBondContact O-N 3.03Å; L192-L195 PolarHBondContact O-N 3.16Å; L192-V196 WeakPolarHBondContact O-CB 3.38Å; L192-V196 VanDerWaalsContact O-CG2 3.25Å; L192-V196 WeakPolarHBondContact O-CG2 3.31Å; L192-V196 PolarHBondContact O-N 3.01Å
193	V	98.6	Very high	96.2	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.024	23%	0.232	C	C	.	.	H	α-helix	trans	-57.4	-47.6	173.9	168.4	0	0	0	0	109.6	W181 R189 K190 V196 K197 E231 E234 L235	W181-V193 HydrophobicContact CH2-CG2 3.76Å; W181-V193 HydrophobicContact CZ3-CG2 4.38Å; R189-V193 VanDerWaalsContact O-CG2 3.32Å; R189-V193 WeakPolarHBondContact O-CG2 3.08Å; R189-V193 PolarHBondContact O-N 2.73Å; K190-V193 PolarHBondContact O-N 3.42Å; V193-V196 PolarHBondContact O-N 2.82Å; V193-K197 WeakPolarHBondContact O-CB 3.36Å; V193-K197 PolarHBondContact O-N 2.87Å; V193-E231 HydrophobicContact CG2-CB 3.93Å; V193-E231 HydrophobicContact CG2-CG 3.89Å; V193-E234 HydrophobicContact CG1-CB 3.87Å; V193-L235 HydrophobicContact CG1-CD2 4.06Å; V193-L235 HydrophobicContact CG1-CG 4.22Å; V193-L235 HydrophobicContact CG2-CD1 4.21Å; V193-L235 HydrophobicContact CG2-CG 4.41Å
194	H	98.6	Very high	96.5	Very high	75 Å²	75	44.9 Å²	44.9	35%	0.347	23%	0.226	S	C	.	.	H	α-helix	trans	-58.3	-51.9	177.8	-177.6	63.5	0	0	0	112.2	E154 K190 E191 L192 V196 K197 H198	E154-H194 VanDerWaalsContact CD-NE2 3.33Å; E154-H194 IonicContact OE1-CD2 2.74Å; E154-H194 IonicContact OE1-CE1 3.88Å; E154-H194 IonicContact OE1-NE2 3.98Å; E154-H194 PolarHBondContact OE1-NE2 3.12Å; E154-H194 IonicContact OE2-CE1 3.68Å; E154-H194 IonicContact OE2-NE2 3.04Å; E154-H194 PolarHBondContact OE2-NE2 2.75Å; E154-H194 VanDerWaalsContact OE2-NE2 3.16Å; K190-H194 PolarHBondContact O-N 3.1Å; E191-H194 PolarHBondContact O-N 3.14Å; L192-H194 VanDerWaalsContact C-N 3.3Å; L192-H194 PolarHBondContact O-N 3.03Å; H194-V196 PolarHBondContact O-N 3.22Å; H194-K197 PolarHBondContact O-N 3.16Å; H194-H198 PolarHBondContact O-N 2.87Å
195	L	98.6	Very high	96.9	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-57.2	-51.3	177.3	172	62.7	0	0	0	111.9	F139 V150 F151 I157 L180 E191 L192 K197 H198 V199	F139-L195 HydrophobicContact CE1-CD2 4.28Å; V150-L195 HydrophobicContact CG1-CD1 4.35Å; F151-L195 HydrophobicContact CD1-CB 4.33Å; F151-L195 HydrophobicContact CD1-CD2 4.38Å; F151-L195 HydrophobicContact CE1-CB 4.09Å; F151-L195 HydrophobicContact CE1-CD2 3.73Å; I157-L195 HydrophobicContact CB-CD1 4.48Å; I157-L195 HydrophobicContact CG1-CD1 4.05Å; I157-L195 HydrophobicContact CG2-CD1 3.96Å; L180-L195 HydrophobicContact CD1-CD2 3.84Å; E191-L195 PolarHBondContact O-N 2.87Å; L192-L195 PolarHBondContact O-N 3.16Å; L195-K197 VanDerWaalsContact C-N 3.32Å; L195-K197 PolarHBondContact O-N 2.92Å; L195-H198 PolarHBondContact O-N 3.37Å; L195-V199 HydrophobicContact CD1-CG2 3.9Å; L195-V199 HydrophobicContact CG-CG2 4.48Å; L195-V199 VanDerWaalsContact O-CG2 3.29Å; L195-V199 WeakPolarHBondContact O-CG2 3.43Å; L195-V199 PolarHBondContact O-N 3.47Å
196	V	98.6	Very high	97.4	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-63.1	-42.1	-177.5	172.6	0	0	0	0	110.8	L180 L192 V193 H194 V199 C200 L212 L235 V239	L180-V196 HydrophobicContact CD1-CG2 4.07Å; L180-V196 HydrophobicContact CD2-CG2 4.03Å; L180-V196 HydrophobicContact CG-CG2 4.4Å; L192-V196 WeakPolarHBondContact O-CB 3.38Å; L192-V196 VanDerWaalsContact O-CG2 3.25Å; L192-V196 WeakPolarHBondContact O-CG2 3.31Å; L192-V196 PolarHBondContact O-N 3.01Å; V193-V196 PolarHBondContact O-N 2.82Å; H194-V196 PolarHBondContact O-N 3.22Å; V196-V199 PolarHBondContact O-N 3.34Å; V196-C200 WeakPolarHBondContact O-CB 3.31Å; V196-C200 PolarHBondContact O-N 2.86Å; V196-C200 PolarHBondContact O-SG 3.49Å; V196-C200 VanDerWaalsContact O-SG 3.35Å; V196-L212 HydrophobicContact CG1-CD1 4.05Å; V196-L212 HydrophobicContact CG1-CD2 4.03Å; V196-L212 HydrophobicContact CG2-CD1 4.07Å; V196-L235 HydrophobicContact CB-CD2 3.99Å; V196-L235 HydrophobicContact CG1-CD1 4.32Å; V196-L235 HydrophobicContact CG1-CD2 3.79Å; V196-V239 HydrophobicContact CG1-CG1 4.41Å
197	K	98.7	Very high	97.9	Very high	81 Å²	81	58.5 Å²	58.5	35%	0.352	28%	0.28	S	S	.	.	H	α-helix	trans	-59.1	-50.5	177.9	178.2	167.7	-177.8	179.4	0	111.1	V193 H194 L195 C200 E201 L235 V238	V193-K197 WeakPolarHBondContact O-CB 3.36Å; V193-K197 PolarHBondContact O-N 2.87Å; H194-K197 PolarHBondContact O-N 3.16Å; L195-K197 VanDerWaalsContact C-N 3.32Å; L195-K197 PolarHBondContact O-N 2.92Å; K197-C200 PolarHBondContact O-N 3.36Å; K197-E201 WeakPolarHBondContact CE-OE1 3.25Å; K197-E201 HydrophobicContact CG-CG 4.36Å; K197-E201 WeakPolarHBondContact O-CB 3.41Å; K197-E201 VanDerWaalsContact O-CG 3.27Å; K197-E201 WeakPolarHBondContact O-CG 2.97Å; K197-E201 PolarHBondContact O-N 3.39Å; K197-L235 HydrophobicContact CB-CD2 4.18Å; K197-V238 HydrophobicContact CB-CG2 4.38Å; K197-V238 HydrophobicContact CG-CG1 4.35Å; K197-V238 HydrophobicContact CG-CG2 4.12Å
198	H	98.8	Very high	98.2	Very high	38 Å²	38	54 Å²	54	18%	0.176	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-49.6	178.6	-167.3	116.2	0	0	0	111.8	I157 E158 H194 L195 C200 E201 T202	I157-H198 HydrophobicContact CG2-CB 3.63Å; I157-H198 VanDerWaalsContact CG2-CG 3.42Å; E158-H198 IonicContact OE2-CD2 3.9Å; E158-H198 IonicContact OE2-CE1 3.36Å; E158-H198 IonicContact OE2-NE2 2.79Å; E158-H198 PolarHBondContact OE2-NE2 3.44Å; H194-H198 PolarHBondContact O-N 2.87Å; L195-H198 PolarHBondContact O-N 3.37Å; H198-C200 VanDerWaalsContact C-N 3.35Å; H198-C200 PolarHBondContact O-N 2.95Å; H198-E201 PolarHBondContact O-N 3.01Å; H198-T202 WeakPolarHBondContact O-CB 3.07Å; H198-T202 PolarHBondContact O-N 2.91Å; H198-T202 PolarHBondContact O-OG1 3.37Å
199	V	98.8	Very high	98.4	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-47.3	179.8	172.1	0	0	0	0	111	L160 S161 L164 L178 L195 V196 T202 L203	L160-V199 HydrophobicContact CD2-CG2 3.65Å; S161-V199 WeakPolarHBondContact OG-CG2 3.42Å; L164-V199 HydrophobicContact CD1-CG1 3.7Å; L178-V199 HydrophobicContact CD1-CG1 3.74Å; L195-V199 HydrophobicContact CD1-CG2 3.9Å; L195-V199 HydrophobicContact CG-CG2 4.48Å; L195-V199 VanDerWaalsContact O-CG2 3.29Å; L195-V199 WeakPolarHBondContact O-CG2 3.43Å; L195-V199 PolarHBondContact O-N 3.47Å; V196-V199 PolarHBondContact O-N 3.34Å; V199-T202 PolarHBondContact O-N 3.22Å; V199-L203 HydrophobicContact CG1-CD1 3.98Å; V199-L203 HydrophobicContact CG1-CG 4.49Å; V199-L203 WeakPolarHBondContact O-CG 3.41Å; V199-L203 PolarHBondContact O-N 3.05Å
200	C	98.8	Very high	98.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68.5	-40.6	-179.4	-69.1	0	0	0	0	112.5	V196 K197 H198 T202 L203 N204 C210	V196-C200 WeakPolarHBondContact O-CB 3.31Å; V196-C200 PolarHBondContact O-N 2.86Å; V196-C200 PolarHBondContact O-SG 3.49Å; V196-C200 VanDerWaalsContact O-SG 3.35Å; K197-C200 PolarHBondContact O-N 3.36Å; H198-C200 VanDerWaalsContact C-N 3.35Å; H198-C200 PolarHBondContact O-N 2.95Å; C200-T202 VanDerWaalsContact C-N 3.31Å; C200-T202 PolarHBondContact O-N 2.92Å; C200-L203 PolarHBondContact O-N 3.4Å; C200-N204 VanDerWaalsContact O-CB 3.26Å; C200-N204 WeakPolarHBondContact O-CB 3.26Å; C200-N204 PolarHBondContact O-N 3.15Å; C200-N204 PolarHBondContact O-ND2 3.33Å; C200-N204 PolarHBondContact O-OD1 3.02Å; C200-C210 WeakPolarHBondContact CA-SG 3.16Å; C200-C210 HydrophobicContact CB-CB 3.49Å; C200-C210 VanDerWaalsContact CB-CB 3.49Å; C200-C210 WeakPolarHBondContact CB-SG 3.44Å; C200-C210 WeakPolarHBondContact SG-CB 3.29Å; C200-C210 CovalentContact SG-SG 2.04Å; C200-C210 PolarHBondContact SG-SG 3.44Å
201	E	98.7	Very high	98.6	Very high	90 Å²	90	41.3 Å²	41.3	42%	0.421	21%	0.206	S	C	.	.	H	α-helix	trans	-60.4	-42.4	174.3	-74.5	175.9	170.2	0	0	111.2	K197 H198 N204 A205 V238	K197-E201 WeakPolarHBondContact CE-OE1 3.25Å; K197-E201 HydrophobicContact CG-CG 4.36Å; K197-E201 WeakPolarHBondContact O-CB 3.41Å; K197-E201 VanDerWaalsContact O-CG 3.27Å; K197-E201 WeakPolarHBondContact O-CG 2.97Å; K197-E201 PolarHBondContact O-N 3.39Å; H198-E201 PolarHBondContact O-N 3.01Å; E201-N204 PolarHBondContact O-N 3.13Å; E201-A205 WeakPolarHBondContact O-CB 3.22Å; E201-A205 PolarHBondContact O-N 3Å; E201-V238 HydrophobicContact CG-CB 4.14Å; E201-V238 HydrophobicContact CG-CG1 3.83Å; E201-V238 WeakPolarHBondContact OE1-CG1 3.39Å
202	T	98.8	Very high	98.6	Very high	24 Å²	24	38.3 Å²	38.3	15%	0.147	19%	0.192	C	C	.	.	H	α-helix	trans	-64.8	-44	176.8	-67.2	0	0	0	0	112.4	V165 H198 V199 C200 K206	V165-T202 HydrophobicContact CG2-CG2 4Å; H198-T202 WeakPolarHBondContact O-CB 3.07Å; H198-T202 PolarHBondContact O-N 2.91Å; H198-T202 PolarHBondContact O-OG1 3.37Å; V199-T202 PolarHBondContact O-N 3.22Å; C200-T202 VanDerWaalsContact C-N 3.31Å; C200-T202 PolarHBondContact O-N 2.92Å; T202-K206 WeakPolarHBondContact O-CG 3.27Å; T202-K206 PolarHBondContact O-N 2.74Å
203	L	98.8	Very high	98.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.4	-47.7	174.5	-72.3	171.8	0	0	0	111.5	L164 V165 F176 V199 C200 A205 K206 K207 L208 C210	L164-L203 HydrophobicContact CB-CD2 4.29Å; V165-L203 HydrophobicContact CG2-CD2 3.95Å; F176-L203 HydrophobicContact CD2-CD1 4.18Å; F176-L203 HydrophobicContact CD2-CD2 4.05Å; F176-L203 HydrophobicContact CE2-CD2 4.18Å; V199-L203 HydrophobicContact CG1-CD1 3.98Å; V199-L203 HydrophobicContact CG1-CG 4.49Å; V199-L203 WeakPolarHBondContact O-CG 3.41Å; V199-L203 PolarHBondContact O-N 3.05Å; C200-L203 PolarHBondContact O-N 3.4Å; L203-A205 VanDerWaalsContact C-N 3.32Å; L203-A205 PolarHBondContact O-N 3.43Å; L203-K206 CarbonylContact O-C 3.41Å; L203-K206 WeakPolarHBondContact O-CA 3.5Å; L203-K206 PolarHBondContact O-N 3.5Å; L203-K207 PolarHBondContact O-N 3.44Å; L203-L208 CarbonylContact C-O 3.51Å; L203-L208 VanDerWaalsContact C-O 3.31Å; L203-L208 HydrophobicContact CB-CB 4.09Å; L203-L208 HydrophobicContact CD2-CB 4.05Å; L203-L208 HydrophobicContact CD2-CD1 3.83Å; L203-L208 WeakPolarHBondContact O-CB 3.36Å; L203-L208 PolarHBondContact O-N 3.25Å; L203-C210 HydrophobicContact CD1-CB 4.15Å
204	N	98.4	Very high	98.6	Very high	52 Å²	52	38.6 Å²	38.6	28%	0.278	19%	0.193	S	C	.	.	H	α-helix	trans	-62.7	-38.8	-179.2	-69.9	-7.5	0	0	0	112.1	C200 E201 K206 K207 L208 V238 D240	C200-N204 VanDerWaalsContact O-CB 3.26Å; C200-N204 WeakPolarHBondContact O-CB 3.26Å; C200-N204 PolarHBondContact O-N 3.15Å; C200-N204 PolarHBondContact O-ND2 3.33Å; C200-N204 PolarHBondContact O-OD1 3.02Å; E201-N204 PolarHBondContact O-N 3.13Å; N204-K206 PolarHBondContact O-N 3.32Å; N204-K206 VanDerWaalsContact O-N 3.12Å; N204-K207 WeakPolarHBondContact O-CA 3.5Å; N204-K207 PolarHBondContact O-N 2.87Å; N204-L208 PolarHBondContact N-O 3.45Å; N204-L208 PolarHBondContact OD1-O 3.41Å; N204-V238 PolarHBondContact ND2-O 3.02Å; N204-D240 PolarHBondContact OD1-OD2 3.41Å
205	A	98.5	Very high	98.5	Very high	76 Å²	76	35.6 Å²	35.6	63%	0.628	18%	0.18	S	C	*	.	H	α-helix	trans	-59.3	-23	173.9	0	0	0	0	0	112.6	E201 L203	E201-A205 WeakPolarHBondContact O-CB 3.22Å; E201-A205 PolarHBondContact O-N 3Å; L203-A205 VanDerWaalsContact C-N 3.32Å; L203-A205 PolarHBondContact O-N 3.43Å
206	K	98.6	Very high	98.3	Very high	114 Å²	114	38 Å²	38	50%	0.496	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	9.4	174.1	-52.4	-56.2	179.1	-172.8	0	113.6	V165 T202 L203 N204 L208	V165-K206 HydrophobicContact CG1-CB 4.46Å; V165-K206 HydrophobicContact CG1-CG 3.89Å; V165-K206 HydrophobicContact CG2-CG 4.04Å; T202-K206 WeakPolarHBondContact O-CG 3.27Å; T202-K206 PolarHBondContact O-N 2.74Å; L203-K206 CarbonylContact O-C 3.41Å; L203-K206 WeakPolarHBondContact O-CA 3.5Å; L203-K206 PolarHBondContact O-N 3.5Å; N204-K206 PolarHBondContact O-N 3.32Å; N204-K206 VanDerWaalsContact O-N 3.12Å; K206-L208 VanDerWaalsContact C-N 3.3Å; K206-L208 HydrophobicContact CB-CD1 4.16Å; K206-L208 HydrophobicContact CB-CG 4.33Å
207	K	98.4	Very high	98.1	Very high	179 Å²	179	40.5 Å²	40.5	78%	0.778	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	33.5	-177.9	-51.6	177	179.8	177.7	0	113.5	R132 L203 N204	R132-K207 PolarHBondContact NH2-O 2.8Å; L203-K207 PolarHBondContact O-N 3.44Å; N204-K207 WeakPolarHBondContact O-CA 3.5Å; N204-K207 PolarHBondContact O-N 2.87Å
208	L	98.8	Very high	97.9	Very high	13 Å²	13	40.8 Å²	40.8	7%	0.068	23%	0.225	C	C	.	.			trans	-105.5	131.4	174.6	-63.8	170.6	0	0	0	108.6	V165 A168 D174 L203 N204 K206	V165-L208 HydrophobicContact CG2-CD1 4.31Å; A168-L208 HydrophobicContact CB-CD1 3.56Å; A168-L208 HydrophobicContact CB-CD2 3.83Å; A168-L208 HydrophobicContact CB-CG 4.31Å; D174-L208 CarbonylContact O-C 3.56Å; D174-L208 WeakPolarHBondContact O-CA 3.32Å; L203-L208 CarbonylContact C-O 3.51Å; L203-L208 VanDerWaalsContact C-O 3.31Å; L203-L208 HydrophobicContact CB-CB 4.09Å; L203-L208 HydrophobicContact CD2-CB 4.05Å; L203-L208 HydrophobicContact CD2-CD1 3.83Å; L203-L208 WeakPolarHBondContact O-CB 3.36Å; L203-L208 PolarHBondContact O-N 3.25Å; N204-L208 PolarHBondContact N-O 3.45Å; N204-L208 PolarHBondContact OD1-O 3.41Å; K206-L208 VanDerWaalsContact C-N 3.3Å; K206-L208 HydrophobicContact CB-CD1 4.16Å; K206-L208 HydrophobicContact CB-CG 4.33Å
209	D	98.7	Very high	97.5	Very high	37 Å²	37	41.2 Å²	41.2	20%	0.198	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	139.4	-178	-61.2	-11	0	0	0	110.8	R132 V134 D174 G175 F176 D240	R132-D209 IonicContact CZ-OD1 3.08Å; R132-D209 IonicContact CZ-OD2 3.16Å; R132-D209 IonicContact NE-OD1 3.3Å; R132-D209 IonicContact NE-OD2 3.61Å; R132-D209 PolarHBondContact NE-OD2 2.97Å; R132-D209 IonicContact NH2-OD1 2.68Å; R132-D209 PolarHBondContact NH2-OD1 3.29Å; R132-D209 IonicContact NH2-OD2 3.68Å; R132-D209 PolarHBondContact NH2-OD2 2.95Å; V134-D209 HydrophobicContact CG1-CB 4Å; D174-D209 PolarHBondContact O-N 3.12Å; G175-D209 CarbonylContact C-O 3.22Å; G175-D209 WeakPolarHBondContact CA-O 3.37Å; F176-D209 PolarHBondContact N-O 3.37Å; D209-D240 VanDerWaalsContact CA-OD2 3.26Å; D209-D240 WeakPolarHBondContact CA-OD2 3.46Å; D209-D240 HydrophobicContact CB-CB 4.48Å
210	C	98.8	Very high	97	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	104.4	172.8	-161.2	0	0	0	0	110.9	L178 C200 L203 D240	L178-C210 VanDerWaalsContact CD1-SG 3.58Å; C200-C210 WeakPolarHBondContact CA-SG 3.16Å; C200-C210 HydrophobicContact CB-CB 3.49Å; C200-C210 VanDerWaalsContact CB-CB 3.49Å; C200-C210 WeakPolarHBondContact CB-SG 3.44Å; C200-C210 WeakPolarHBondContact SG-CB 3.29Å; C200-C210 CovalentContact SG-SG 2.04Å; C200-C210 PolarHBondContact SG-SG 3.44Å; L203-C210 HydrophobicContact CD1-CB 4.15Å; C210-D240 PolarHBondContact N-OD2 3Å; C210-D240 PolarHBondContact O-N 2.94Å
211	I	98.9	Very high	96.6	Very high	16 Å²	16	48.8 Å²	48.8	8%	0.082	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.9	174.2	-58.8	176.7	0	0	0	109	L69 V134 F176 T177 L178 G241	L69-I211 HydrophobicContact CD1-CD1 4.09Å; L69-I211 HydrophobicContact CD2-CD1 4.33Å; L69-I211 HydrophobicContact CD2-CG2 4.33Å; V134-I211 HydrophobicContact CG2-CD1 3.98Å; F176-I211 PolarHBondContact O-N 3.43Å; T177-I211 CarbonylContact C-O 3.44Å; T177-I211 VanDerWaalsContact CA-O 3.3Å; T177-I211 WeakPolarHBondContact CA-O 3.46Å; T177-I211 HydrophobicContact CG2-CB 4.26Å; T177-I211 HydrophobicContact CG2-CG2 3.99Å; L178-I211 PolarHBondContact N-O 3.48Å; I211-G241 CarbonylContact C-O 3.54Å; I211-G241 VanDerWaalsContact CA-O 3.31Å; I211-G241 WeakPolarHBondContact CA-O 3.43Å
212	L	98.8	Very high	96.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.2	177.4	-175.9	67.5	0	0	0	111.5	L178 L180 W181 V196 I214 F227 L235 V239 G241 F242 S243	L178-L212 HydrophobicContact CB-CD1 4.29Å; L180-L212 HydrophobicContact CD2-CD1 3.67Å; W181-L212 HydrophobicContact CE3-CD2 4.17Å; W181-L212 HydrophobicContact CZ3-CD2 4.48Å; V196-L212 HydrophobicContact CG1-CD1 4.05Å; V196-L212 HydrophobicContact CG1-CD2 4.03Å; V196-L212 HydrophobicContact CG2-CD1 4.07Å; L212-I214 HydrophobicContact CB-CG2 4.49Å; L212-I214 HydrophobicContact CD2-CG2 3.67Å; L212-I214 HydrophobicContact CG-CG2 3.78Å; L212-F227 HydrophobicContact CD2-CE2 4.03Å; L212-L235 HydrophobicContact CD2-CD1 3.88Å; L212-V239 HydrophobicContact CB-CG1 4.36Å; L212-G241 PolarHBondContact N-O 3.37Å; L212-F242 HydrophobicContact CB-CD1 4.12Å; L212-F242 HydrophobicContact CB-CE1 4.39Å; L212-F242 HydrophobicContact CD2-CD1 4.28Å; L212-F242 HydrophobicContact CD2-CE1 4Å; L212-F242 CarbonylContact O-C 3.53Å; L212-F242 WeakPolarHBondContact O-CA 3.35Å; L212-S243 PolarHBondContact O-N 3.44Å
213	V	98.5	Very high	95.9	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.03	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.4	168.6	-175.8	0	0	0	0	109.6	Y71 T177 L178 E179 S243 M245	Y71-V213 WeakPolarHBondContact OH-CG2 3.49Å; T177-V213 HydrophobicContact CG2-CG2 3.59Å; L178-V213 WeakPolarHBondContact O-CG2 3.5Å; L178-V213 PolarHBondContact O-N 3.47Å; E179-V213 HydrophobicContact CB-CB 4.2Å; E179-V213 HydrophobicContact CB-CG2 4Å; E179-V213 HydrophobicContact CG-CB 4.14Å; E179-V213 HydrophobicContact CG-CG1 4.23Å; E179-V213 HydrophobicContact CG-CG2 4.32Å; V213-S243 WeakPolarHBondContact CA-O 3.3Å; V213-M245 HydrophobicContact CG1-CE 4.03Å; V213-M245 HydrophobicContact CG1-CG 4.07Å; V213-M245 HydrophobicContact CG1-SD 3.86Å
214	I	97.8	Very high	95.6	Very high	7 Å²	7	54.3 Å²	54.3	4%	0.036	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141.8	-179	61.3	169	0	0	0	112.2	L212 F227 F242 S243 L244 M245	L212-I214 HydrophobicContact CB-CG2 4.49Å; L212-I214 HydrophobicContact CD2-CG2 3.67Å; L212-I214 HydrophobicContact CG-CG2 3.78Å; I214-F227 HydrophobicContact CB-CB 4.37Å; I214-F227 HydrophobicContact CB-CD1 4.19Å; I214-F227 HydrophobicContact CB-CD2 4.01Å; I214-F227 HydrophobicContact CB-CE2 4.43Å; I214-F227 HydrophobicContact CB-CG 3.93Å; I214-F227 HydrophobicContact CD1-CD1 3.81Å; I214-F227 HydrophobicContact CD1-CE1 3.73Å; I214-F227 HydrophobicContact CD1-CG 4.42Å; I214-F227 HydrophobicContact CD1-CZ 4.33Å; I214-F227 HydrophobicContact CG2-CD1 4.25Å; I214-F227 HydrophobicContact CG2-CD2 3.48Å; I214-F227 VanDerWaalsContact CG2-CD2 3.48Å; I214-F227 HydrophobicContact CG2-CE1 4.23Å; I214-F227 HydrophobicContact CG2-CE2 3.52Å; I214-F227 HydrophobicContact CG2-CG 3.91Å; I214-F227 HydrophobicContact CG2-CZ 3.92Å; I214-F242 HydrophobicContact CD1-CB 3.77Å; I214-F242 HydrophobicContact CD1-CD1 3.75Å; I214-F242 HydrophobicContact CD1-CG 3.95Å; I214-F242 HydrophobicContact CG1-CB 4.12Å; I214-F242 HydrophobicContact CG1-CD1 4.25Å; I214-F242 HydrophobicContact CG2-CD1 3.78Å; I214-F242 HydrophobicContact CG2-CE1 4.32Å; I214-S243 PolarHBondContact N-O 2.74Å; I214-L244 HydrophobicContact CD1-CB 4.35Å; I214-L244 HydrophobicContact CD1-CD1 3.76Å; I214-L244 HydrophobicContact CG1-CB 4.13Å; I214-L244 HydrophobicContact CG1-CD1 3.71Å; I214-M245 PolarHBondContact O-N 2.8Å
215	P	95.9	Very high	95.3	Very high	11 Å²	11	52.2 Å²	52.2	7%	0.071	33%	0.33	C	S	.	.			trans	-70.3	165.5	170.3	31.6	-35.1	0	0	0	111.2	M226 F227 L244 M245	P215-M226 HydrophobicContact CB-CE 4.42Å; P215-M226 HydrophobicContact CG-CB 4.11Å; P215-M226 HydrophobicContact CG-CE 4.25Å; P215-F227 HydrophobicContact CG-CB 3.86Å; P215-L244 WeakPolarHBondContact O-CD1 3.37Å; P215-M245 HydrophobicContact CB-CE 4.3Å
216	P	95	Very high	95.1	Very high	51 Å²	51	51.2 Å²	51.2	33%	0.331	31%	0.313	S	S	.	.			trans	-64.5	144.4	174.6	28.3	-33.7	0	0	0	111.3	V218 M245	P216-V218 PolarHBondContact O-N 3.35Å; P216-M245 WeakPolarHBondContact CD-O 3.41Å
217	A	94.6	Very high	95	Very high	54 Å²	54	46.1 Å²	46.1	45%	0.446	29%	0.291	S	S	.	.	S	Bend	trans	-67.8	-18.3	179.5	0	0	0	0	0	113.8	G225 F227	A217-G225 PolarHBondContact O-N 2.96Å; A217-F227 WeakPolarHBondContact CA-O 3.38Å
218	V	93.3	Very high	94.8	Very high	87 Å²	87	38.6 Å²	38.6	53%	0.527	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-128.7	130.5	177	-175.8	0	0	0	0	108.1	P216 S223	P216-V218 PolarHBondContact O-N 3.35Å; V218-S223 WeakPolarHBondContact CA-O 3.34Å
219	T	90.3	Very high	94.7	Very high	48 Å²	48	47.2 Å²	47.2	29%	0.294	30%	0.296	S	S	.	.			trans	-76.6	170.7	177.4	68	0	0	0	0	111.2	S221 G222 S223	T219-S221 PolarHBondContact O-N 3.4Å; T219-S221 VanDerWaalsContact O-N 3.16Å; T219-S221 PolarHBondContact OG1-N 3.06Å; T219-S221 PolarHBondContact OG1-OG 3.28Å; T219-G222 PolarHBondContact O-N 2.93Å; T219-S223 PolarHBondContact N-O 2.7Å; T219-S223 PolarHBondContact OG1-N 3.32Å; T219-S223 PolarHBondContact OG1-O 2.89Å
220	S	89	Confident	94.6	Very high	68 Å²	68	52.6 Å²	52.6	48%	0.476	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.5	174.8	57.6	0	0	0	0	114.8	G222 Y249	S220-G222 VanDerWaalsContact C-N 3.31Å; S220-Y249 VanDerWaalsContact CA-CE2 3.46Å; S220-Y249 WeakPolarHBondContact CB-O 3.39Å; S220-Y249 PolarHBondContact O-OH 3.2Å
221	S	89.9	Confident	94.5	Very high	93 Å²	93	53.1 Å²	53.1	65%	0.65	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-0.7	170.9	64.5	0	0	0	0	113.5	T219 S223	T219-S221 PolarHBondContact O-N 3.4Å; T219-S221 VanDerWaalsContact O-N 3.16Å; T219-S221 PolarHBondContact OG1-N 3.06Å; T219-S221 PolarHBondContact OG1-OG 3.28Å; S221-S223 VanDerWaalsContact C-N 3.27Å; S221-S223 PolarHBondContact OG-OG 3.14Å
222	G	90.3	Very high	94.5	Very high	56 Å²	56	56.6 Å²	56.6	58%	0.577	34%	0.337	S	S	*	.	S	Bend	trans	78	8.2	-173.4	0	0	0	0	0	114.2	T219 S220	T219-G222 PolarHBondContact O-N 2.93Å; S220-G222 VanDerWaalsContact C-N 3.31Å
223	S	91.8	Very high	94.5	Very high	55 Å²	55	60.8 Å²	60.8	39%	0.385	36%	0.359	S	S	.	.			trans	-86.1	157	179.3	-53.2	0	0	0	0	111.1	V218 T219 S221 G225	V218-S223 WeakPolarHBondContact CA-O 3.34Å; T219-S223 PolarHBondContact N-O 2.7Å; T219-S223 PolarHBondContact OG1-N 3.32Å; T219-S223 PolarHBondContact OG1-O 2.89Å; S221-S223 VanDerWaalsContact C-N 3.27Å; S221-S223 PolarHBondContact OG-OG 3.14Å; S223-G225 PolarHBondContact O-N 3.27Å
224	P	93.3	Very high	94.5	Very high	118 Å²	118	65.6 Å²	65.6	77%	0.766	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	-56.2	137.8	171.5	-25.5	35.1	0	0	0	112.4
225	G	92.3	Very high	94.5	Very high	9 Å²	9	65.3 Å²	65.3	9%	0.093	38%	0.38	C	S	.	.			trans	-80.1	-173.2	177.7	0	0	0	0	0	114	R189 A217 S223	R189-G225 PolarHBondContact NH2-O 2.85Å; R189-G225 VanDerWaalsContact NH2-O 3.11Å; A217-G225 PolarHBondContact O-N 2.96Å; S223-G225 PolarHBondContact O-N 3.27Å
226	M	93.8	Very high	94.6	Very high	55 Å²	55	66.6 Å²	66.6	27%	0.271	39%	0.392	S	S	.	.	S	Bend	trans	-81.9	-14.4	178.7	-61.4	-175.4	-61.8	0	0	113.5	W181 S182 G186 R189 P215	W181-M226 PolarHBondContact NE1-O 2.81Å; S182-M226 WeakPolarHBondContact OG-CE 3.39Å; G186-M226 PolarHBondContact N-SD 2.98Å; R189-M226 PolarHBondContact NE-O 2.83Å; P215-M226 HydrophobicContact CB-CE 4.42Å; P215-M226 HydrophobicContact CG-CB 4.11Å; P215-M226 HydrophobicContact CG-CE 4.25Å
227	F	96.4	Very high	94.8	Very high	6 Å²	6	69.1 Å²	69.1	3%	0.026	41%	0.408	C	S	.	.	S	Bend	trans	-128.2	120.3	176.3	-171.4	-79.1	0	0	0	107.6	W181 L212 I214 P215 A217 E231 F232 L235 F242	W181-F227 AromaticContact CD2-CD2 3.64Å; W181-F227 HydrophobicContact CD2-CD2 3.64Å; W181-F227 HydrophobicContact CD2-CE2 4.25Å; W181-F227 AromaticContact CE2-CD2 3.33Å; W181-F227 HydrophobicContact CE3-CD2 4.1Å; W181-F227 HydrophobicContact CE3-CE2 4.25Å; W181-F227 HydrophobicContact CG-CD2 4.13Å; W181-F227 AromaticContact CH2-CD2 3.95Å; W181-F227 HydrophobicContact CH2-CD2 3.95Å; W181-F227 AromaticContact CH2-CE2 3.95Å; W181-F227 HydrophobicContact CH2-CE2 3.95Å; W181-F227 AromaticContact CZ2-CD2 3.5Å; W181-F227 HydrophobicContact CZ2-CD2 3.5Å; W181-F227 VanDerWaalsContact CZ2-CD2 3.5Å; W181-F227 AromaticContact CZ2-CE2 3.98Å; W181-F227 HydrophobicContact CZ2-CE2 3.98Å; W181-F227 HydrophobicContact CZ2-CG 4.39Å; W181-F227 HydrophobicContact CZ3-CD2 4.25Å; W181-F227 HydrophobicContact CZ3-CE2 4.11Å; W181-F227 AromaticContact NE1-CD2 3.65Å; L212-F227 HydrophobicContact CD2-CE2 4.03Å; I214-F227 HydrophobicContact CB-CB 4.37Å; I214-F227 HydrophobicContact CB-CD1 4.19Å; I214-F227 HydrophobicContact CB-CD2 4.01Å; I214-F227 HydrophobicContact CB-CE2 4.43Å; I214-F227 HydrophobicContact CB-CG 3.93Å; I214-F227 HydrophobicContact CD1-CD1 3.81Å; I214-F227 HydrophobicContact CD1-CE1 3.73Å; I214-F227 HydrophobicContact CD1-CG 4.42Å; I214-F227 HydrophobicContact CD1-CZ 4.33Å; I214-F227 HydrophobicContact CG2-CD1 4.25Å; I214-F227 HydrophobicContact CG2-CD2 3.48Å; I214-F227 VanDerWaalsContact CG2-CD2 3.48Å; I214-F227 HydrophobicContact CG2-CE1 4.23Å; I214-F227 HydrophobicContact CG2-CE2 3.52Å; I214-F227 HydrophobicContact CG2-CG 3.91Å; I214-F227 HydrophobicContact CG2-CZ 3.92Å; P215-F227 HydrophobicContact CG-CB 3.86Å; A217-F227 WeakPolarHBondContact CA-O 3.38Å; F227-E231 HydrophobicContact CD2-CB 4.36Å; F227-E231 HydrophobicContact CE2-CB 4.03Å; F227-E231 HydrophobicContact CZ-CB 4.24Å; F227-F232 HydrophobicContact CE1-CB 3.8Å; F227-F232 HydrophobicContact CE1-CD2 4.11Å; F227-F232 HydrophobicContact CE1-CG 4.47Å; F227-F232 HydrophobicContact CZ-CB 4.25Å; F227-L235 HydrophobicContact CE2-CD1 3.94Å; F227-L235 HydrophobicContact CZ-CD1 4.34Å; F227-F242 HydrophobicContact CE1-CE1 4.37Å; F227-F242 HydrophobicContact CE2-CE1 4.31Å; F227-F242 HydrophobicContact CZ-CD1 4.26Å; F227-F242 AromaticContact CZ-CE1 3.64Å; F227-F242 HydrophobicContact CZ-CE1 3.64Å; F227-F242 HydrophobicContact CZ-CZ 4.27Å
228	G	95.3	Very high	94.9	Very high	22 Å²	22	67.4 Å²	67.4	23%	0.227	39%	0.392	C	S	.	.			trans	-125	-165.5	-175.6	0	0	0	0	0	112.5	E230 E231 F232	G228-E230 VanDerWaalsContact C-N 3.34Å; G228-E231 WeakPolarHBondContact CA-OE2 3.43Å; G228-E231 PolarHBondContact N-OE2 3.31Å; G228-F232 WeakPolarHBondContact O-CB 3.4Å; G228-F232 PolarHBondContact O-N 3.07Å; G228-F232 VanDerWaalsContact O-N 3.11Å
229	R	96.4	Very high	95.1	Very high	193 Å²	193	63.9 Å²	63.9	73%	0.728	37%	0.371	S	S	*	.	H	α-helix	trans	-65.1	-37.9	179.5	180	174.3	177.8	-174.6	3.7	112.5	E231 F232 D233	R229-E231 PolarHBondContact O-N 2.68Å; R229-F232 PolarHBondContact O-N 3.06Å; R229-D233 WeakPolarHBondContact CG-OD2 3.27Å; R229-D233 IonicContact NE-OD2 3.79Å; R229-D233 PolarHBondContact NE-OD2 3.39Å; R229-D233 WeakPolarHBondContact O-CB 3.39Å; R229-D233 PolarHBondContact O-N 3.33Å
230	E	96.5	Very high	95.5	Very high	150 Å²	150	65.9 Å²	65.9	70%	0.701	38%	0.38	S	S	*	.	H	α-helix	trans	-58.5	-50.7	-178.4	-65.3	179	-176.2	0	0	110.6	G228 F232 D233 E234	G228-E230 VanDerWaalsContact C-N 3.34Å; E230-F232 PolarHBondContact O-N 3.09Å; E230-D233 PolarHBondContact O-N 3.23Å; E230-E234 PolarHBondContact O-N 3.08Å
231	E	97.6	Very high	96	Very high	11 Å²	11	63.8 Å²	63.8	5%	0.051	37%	0.368	C	S	.	.	H	α-helix	trans	-72.5	-31.5	179.8	-54.5	90.8	175.6	0	0	112.3	W181 R189 V193 F227 G228 R229 E234 L235	W181-E231 HydrophobicContact CH2-CB 3.73Å; W181-E231 HydrophobicContact CH2-CG 3.83Å; W181-E231 HydrophobicContact CZ2-CB 3.84Å; W181-E231 HydrophobicContact CZ2-CG 3.71Å; R189-E231 HydrophobicContact CB-CG 4.43Å; R189-E231 WeakPolarHBondContact CD-OE1 3.42Å; R189-E231 IonicContact CZ-OE1 2.98Å; R189-E231 IonicContact NE-OE1 3.77Å; R189-E231 IonicContact NH1-OE1 3.75Å; R189-E231 PolarHBondContact NH1-OE1 2.75Å; R189-E231 IonicContact NH1-OE2 2.69Å; V193-E231 HydrophobicContact CG2-CB 3.93Å; V193-E231 HydrophobicContact CG2-CG 3.89Å; F227-E231 HydrophobicContact CD2-CB 4.36Å; F227-E231 HydrophobicContact CE2-CB 4.03Å; F227-E231 HydrophobicContact CZ-CB 4.24Å; G228-E231 WeakPolarHBondContact CA-OE2 3.43Å; G228-E231 PolarHBondContact N-OE2 3.31Å; R229-E231 PolarHBondContact O-N 2.68Å; E231-E234 PolarHBondContact O-N 3.46Å; E231-L235 WeakPolarHBondContact O-CB 3.31Å; E231-L235 WeakPolarHBondContact O-CG 3.49Å; E231-L235 PolarHBondContact O-N 3.13Å; E231-L235 VanDerWaalsContact O-N 3.07Å
232	F	98.2	Very high	96.4	Very high	90 Å²	90	61.9 Å²	61.9	40%	0.395	35%	0.349	S	S	.	.	H	α-helix	trans	-61.4	-48.9	172.8	-174.3	-94.8	0	0	0	112.2	F227 G228 R229 E230 E234 L235 A236 F242	F227-F232 HydrophobicContact CE1-CB 3.8Å; F227-F232 HydrophobicContact CE1-CD2 4.11Å; F227-F232 HydrophobicContact CE1-CG 4.47Å; F227-F232 HydrophobicContact CZ-CB 4.25Å; G228-F232 WeakPolarHBondContact O-CB 3.4Å; G228-F232 PolarHBondContact O-N 3.07Å; G228-F232 VanDerWaalsContact O-N 3.11Å; R229-F232 PolarHBondContact O-N 3.06Å; E230-F232 PolarHBondContact O-N 3.09Å; F232-E234 PolarHBondContact O-N 3.38Å; F232-L235 PolarHBondContact O-N 2.79Å; F232-A236 HydrophobicContact CD1-CB 4.15Å; F232-A236 HydrophobicContact CE1-CB 3.84Å; F232-A236 HydrophobicContact CE2-CB 4.38Å; F232-A236 HydrophobicContact CZ-CB 3.97Å; F232-A236 WeakPolarHBondContact O-CB 3.41Å; F232-A236 PolarHBondContact O-N 2.88Å; F232-F242 HydrophobicContact CD2-CD2 4.09Å; F232-F242 HydrophobicContact CD2-CE1 4.42Å; F232-F242 AromaticContact CD2-CE2 3.6Å; F232-F242 HydrophobicContact CD2-CE2 3.6Å; F232-F242 AromaticContact CD2-CZ 3.77Å; F232-F242 HydrophobicContact CD2-CZ 3.77Å; F232-F242 AromaticContact CE2-CD2 3.54Å; F232-F242 HydrophobicContact CE2-CD2 3.54Å; F232-F242 AromaticContact CE2-CE2 3.27Å; F232-F242 HydrophobicContact CE2-CE2 3.27Å; F232-F242 HydrophobicContact CE2-CG 4.39Å; F232-F242 AromaticContact CE2-CZ 3.96Å; F232-F242 HydrophobicContact CE2-CZ 3.96Å; F232-F242 HydrophobicContact CZ-CD2 4.48Å; F232-F242 HydrophobicContact CZ-CE2 4.09Å
233	D	98.3	Very high	96.8	Very high	87 Å²	87	60 Å²	60	47%	0.465	33%	0.327	S	S	.	.	H	α-helix	trans	-63.6	-30.3	-176.2	-73.2	-14.4	0	0	0	111.1	R229 E230	R229-D233 WeakPolarHBondContact CG-OD2 3.27Å; R229-D233 IonicContact NE-OD2 3.79Å; R229-D233 PolarHBondContact NE-OD2 3.39Å; R229-D233 WeakPolarHBondContact O-CB 3.39Å; R229-D233 PolarHBondContact O-N 3.33Å; E230-D233 PolarHBondContact O-N 3.23Å
234	E	98.4	Very high	97	Very high	107 Å²	107	61.1 Å²	61.1	50%	0.5	33%	0.328	S	S	.	.	H	α-helix	trans	-78.8	-35.8	175.6	-67.8	-168.9	-117.1	0	0	113.9	V193 E230 E231 F232	V193-E234 HydrophobicContact CG1-CB 3.87Å; E230-E234 PolarHBondContact O-N 3.08Å; E231-E234 PolarHBondContact O-N 3.46Å; F232-E234 PolarHBondContact O-N 3.38Å
235	L	98.6	Very high	97.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-95.4	-29.4	-173	-68.7	172.4	0	0	0	113.9	W181 V193 V196 K197 L212 F227 E231 F232 P237 V238 V239 F242	W181-L235 HydrophobicContact CH2-CD1 4.07Å; W181-L235 HydrophobicContact CZ3-CD1 3.73Å; V193-L235 HydrophobicContact CG1-CD2 4.06Å; V193-L235 HydrophobicContact CG1-CG 4.22Å; V193-L235 HydrophobicContact CG2-CD1 4.21Å; V193-L235 HydrophobicContact CG2-CG 4.41Å; V196-L235 HydrophobicContact CB-CD2 3.99Å; V196-L235 HydrophobicContact CG1-CD1 4.32Å; V196-L235 HydrophobicContact CG1-CD2 3.79Å; K197-L235 HydrophobicContact CB-CD2 4.18Å; L212-L235 HydrophobicContact CD2-CD1 3.88Å; F227-L235 HydrophobicContact CE2-CD1 3.94Å; F227-L235 HydrophobicContact CZ-CD1 4.34Å; E231-L235 WeakPolarHBondContact O-CB 3.31Å; E231-L235 WeakPolarHBondContact O-CG 3.49Å; E231-L235 PolarHBondContact O-N 3.13Å; E231-L235 VanDerWaalsContact O-N 3.07Å; F232-L235 PolarHBondContact O-N 2.79Å; L235-P237 VanDerWaalsContact C-N 3.27Å; L235-V238 HydrophobicContact CD2-CG2 4.37Å; L235-V238 WeakPolarHBondContact O-CG2 3.4Å; L235-V238 PolarHBondContact O-N 2.99Å; L235-V239 HydrophobicContact CB-CG1 4.28Å; L235-V239 PolarHBondContact O-N 3.26Å; L235-F242 HydrophobicContact CB-CE1 4.33Å; L235-F242 HydrophobicContact CB-CZ 4.07Å
236	A	98.3	Very high	97.2	Very high	38 Å²	38	62.4 Å²	62.4	31%	0.314	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.4	-179.2	0	0	0	0	0	114.7	F232 V238 F242	F232-A236 HydrophobicContact CD1-CB 4.15Å; F232-A236 HydrophobicContact CE1-CB 3.84Å; F232-A236 HydrophobicContact CE2-CB 4.38Å; F232-A236 HydrophobicContact CZ-CB 3.97Å; F232-A236 WeakPolarHBondContact O-CB 3.41Å; F232-A236 PolarHBondContact O-N 2.88Å; A236-V238 VanDerWaalsContact C-N 3.27Å; A236-V238 PolarHBondContact O-N 3.5Å; A236-F242 HydrophobicContact CB-CE2 4.03Å; A236-F242 HydrophobicContact CB-CZ 4.35Å
237	P	98	Very high	97.1	Very high	105 Å²	105	66.1 Å²	66.1	68%	0.682	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.4	175.4	-22.6	35.5	0	0	0	115	L235	L235-P237 VanDerWaalsContact C-N 3.27Å
238	V	97.6	Very high	96.7	Very high	17 Å²	17	72.7 Å²	72.7	10%	0.103	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-20.2	-170.6	-61.6	0	0	0	0	114.1	K197 E201 N204 L235 A236	K197-V238 HydrophobicContact CB-CG2 4.38Å; K197-V238 HydrophobicContact CG-CG1 4.35Å; K197-V238 HydrophobicContact CG-CG2 4.12Å; E201-V238 HydrophobicContact CG-CB 4.14Å; E201-V238 HydrophobicContact CG-CG1 3.83Å; E201-V238 WeakPolarHBondContact OE1-CG1 3.39Å; N204-V238 PolarHBondContact ND2-O 3.02Å; L235-V238 HydrophobicContact CD2-CG2 4.37Å; L235-V238 WeakPolarHBondContact O-CG2 3.4Å; L235-V238 PolarHBondContact O-N 2.99Å; A236-V238 VanDerWaalsContact C-N 3.27Å; A236-V238 PolarHBondContact O-N 3.5Å
239	V	98	Very high	96.4	Very high	13 Å²	13	79.2 Å²	79.2	8%	0.079	40%	0.395	C	S	.	.			trans	-88.4	145	172.8	-53.1	0	0	0	0	110.5	V196 L212 L235 G241 F242	V196-V239 HydrophobicContact CG1-CG1 4.41Å; L212-V239 HydrophobicContact CB-CG1 4.36Å; L235-V239 HydrophobicContact CB-CG1 4.28Å; L235-V239 PolarHBondContact O-N 3.26Å; V239-G241 VanDerWaalsContact C-N 3.31Å; V239-F242 HydrophobicContact CG2-CD1 4.25Å; V239-F242 HydrophobicContact CG2-CD2 3.89Å; V239-F242 HydrophobicContact CG2-CE1 3.77Å; V239-F242 HydrophobicContact CG2-CE2 3.35Å; V239-F242 HydrophobicContact CG2-CG 4.33Å; V239-F242 HydrophobicContact CG2-CZ 3.3Å
240	D	98.3	Very high	95.9	Very high	91 Å²	91	74.9 Å²	74.9	49%	0.487	40%	0.395	S	S	.	.	S	Bend	trans	-80.1	-17.3	174.9	-63.1	-72.2	0	0	0	112.7	N204 D209 C210	N204-D240 PolarHBondContact OD1-OD2 3.41Å; D209-D240 VanDerWaalsContact CA-OD2 3.26Å; D209-D240 WeakPolarHBondContact CA-OD2 3.46Å; D209-D240 HydrophobicContact CB-CB 4.48Å; C210-D240 PolarHBondContact N-OD2 3Å; C210-D240 PolarHBondContact O-N 2.94Å
241	G	98.3	Very high	95.1	Very high	23 Å²	23	72.5 Å²	72.5	24%	0.237	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	162.8	175.5	0	0	0	0	0	113.8	I211 L212 V239	I211-G241 CarbonylContact C-O 3.54Å; I211-G241 VanDerWaalsContact CA-O 3.31Å; I211-G241 WeakPolarHBondContact CA-O 3.43Å; L212-G241 PolarHBondContact N-O 3.37Å; V239-G241 VanDerWaalsContact C-N 3.31Å
242	F	98.6	Very high	93.7	Very high	53 Å²	53	74.6 Å²	74.6	23%	0.232	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.3	172.2	-65	-83	0	0	0	110	L212 I214 F227 F232 L235 A236 V239 L244	L212-F242 HydrophobicContact CB-CD1 4.12Å; L212-F242 HydrophobicContact CB-CE1 4.39Å; L212-F242 HydrophobicContact CD2-CD1 4.28Å; L212-F242 HydrophobicContact CD2-CE1 4Å; L212-F242 CarbonylContact O-C 3.53Å; L212-F242 WeakPolarHBondContact O-CA 3.35Å; I214-F242 HydrophobicContact CD1-CB 3.77Å; I214-F242 HydrophobicContact CD1-CD1 3.75Å; I214-F242 HydrophobicContact CD1-CG 3.95Å; I214-F242 HydrophobicContact CG1-CB 4.12Å; I214-F242 HydrophobicContact CG1-CD1 4.25Å; I214-F242 HydrophobicContact CG2-CD1 3.78Å; I214-F242 HydrophobicContact CG2-CE1 4.32Å; F227-F242 HydrophobicContact CE1-CE1 4.37Å; F227-F242 HydrophobicContact CE2-CE1 4.31Å; F227-F242 HydrophobicContact CZ-CD1 4.26Å; F227-F242 AromaticContact CZ-CE1 3.64Å; F227-F242 HydrophobicContact CZ-CE1 3.64Å; F227-F242 HydrophobicContact CZ-CZ 4.27Å; F232-F242 HydrophobicContact CD2-CD2 4.09Å; F232-F242 HydrophobicContact CD2-CE1 4.42Å; F232-F242 AromaticContact CD2-CE2 3.6Å; F232-F242 HydrophobicContact CD2-CE2 3.6Å; F232-F242 AromaticContact CD2-CZ 3.77Å; F232-F242 HydrophobicContact CD2-CZ 3.77Å; F232-F242 AromaticContact CE2-CD2 3.54Å; F232-F242 HydrophobicContact CE2-CD2 3.54Å; F232-F242 AromaticContact CE2-CE2 3.27Å; F232-F242 HydrophobicContact CE2-CE2 3.27Å; F232-F242 HydrophobicContact CE2-CG 4.39Å; F232-F242 AromaticContact CE2-CZ 3.96Å; F232-F242 HydrophobicContact CE2-CZ 3.96Å; F232-F242 HydrophobicContact CZ-CD2 4.48Å; F232-F242 HydrophobicContact CZ-CE2 4.09Å; L235-F242 HydrophobicContact CB-CE1 4.33Å; L235-F242 HydrophobicContact CB-CZ 4.07Å; A236-F242 HydrophobicContact CB-CE2 4.03Å; A236-F242 HydrophobicContact CB-CZ 4.35Å; V239-F242 HydrophobicContact CG2-CD1 4.25Å; V239-F242 HydrophobicContact CG2-CD2 3.89Å; V239-F242 HydrophobicContact CG2-CE1 3.77Å; V239-F242 HydrophobicContact CG2-CE2 3.35Å; V239-F242 HydrophobicContact CG2-CG 4.33Å; V239-F242 HydrophobicContact CG2-CZ 3.3Å; F242-L244 PolarHBondContact O-N 2.89Å
243	S	98.4	Very high	91.5	Very high	17 Å²	17	76.8 Å²	76.8	12%	0.119	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	88.3	167.9	-172.2	0	0	0	0	108.4	Y71 L212 V213 I214	Y71-S243 WeakPolarHBondContact CE2-OG 3.27Å; Y71-S243 WeakPolarHBondContact OH-CB 3.2Å; Y71-S243 PolarHBondContact OH-OG 2.91Å; L212-S243 PolarHBondContact O-N 3.44Å; V213-S243 WeakPolarHBondContact CA-O 3.3Å; I214-S243 PolarHBondContact N-O 2.74Å
244	L	97.6	Very high	89.1	Confident	78 Å²	78	87.4 Å²	87.4	41%	0.408	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	115.5	-175.3	178.7	64.9	0	0	0	111.4	I214 P215 F242 T246	I214-L244 HydrophobicContact CD1-CB 4.35Å; I214-L244 HydrophobicContact CD1-CD1 3.76Å; I214-L244 HydrophobicContact CG1-CB 4.13Å; I214-L244 HydrophobicContact CG1-CD1 3.71Å; P215-L244 WeakPolarHBondContact O-CD1 3.37Å; F242-L244 PolarHBondContact O-N 2.89Å; L244-T246 VanDerWaalsContact C-N 3.35Å; L244-T246 HydrophobicContact CD2-CG2 3.63Å; L244-T246 HydrophobicContact CG-CG2 3.65Å; L244-T246 PolarHBondContact O-N 2.96Å; L244-T246 PolarHBondContact O-OG1 3.2Å
245	M	95.4	Very high	88.6	Confident	47 Å²	47	86.4 Å²	86.4	23%	0.232	48%	0.475	C	S	.	.			trans	-76.3	80.2	-178.7	-61.5	-173.9	-69.9	0	0	111.7	V213 I214 P215 P216 Y247	V213-M245 HydrophobicContact CG1-CE 4.03Å; V213-M245 HydrophobicContact CG1-CG 4.07Å; V213-M245 HydrophobicContact CG1-SD 3.86Å; I214-M245 PolarHBondContact O-N 2.8Å; P215-M245 HydrophobicContact CB-CE 4.3Å; P216-M245 WeakPolarHBondContact CD-O 3.41Å; M245-Y247 VanDerWaalsContact C-N 3.32Å; M245-Y247 HydrophobicContact CB-CE1 4.31Å; M245-Y247 HydrophobicContact CB-CE2 4.47Å; M245-Y247 PolarHBondContact O-N 3.25Å
246	T	92.8	Very high	88.1	Confident	107 Å²	107	90.9 Å²	90.9	66%	0.656	50%	0.5	S	S	*	.			trans	-97.2	39.1	-178.3	40	0	0	0	0	112.8	L244	L244-T246 VanDerWaalsContact C-N 3.35Å; L244-T246 HydrophobicContact CD2-CG2 3.63Å; L244-T246 HydrophobicContact CG-CG2 3.65Å; L244-T246 PolarHBondContact O-N 2.96Å; L244-T246 PolarHBondContact O-OG1 3.2Å
247	Y	91.6	Very high	87.5	Confident	134 Å²	134	93.9 Å²	93.9	53%	0.525	51%	0.51	S	S	.	.			trans	-136.1	-178.9	177.8	47.2	-96.6	0	0	0	109.4	M245 Y249	M245-Y247 VanDerWaalsContact C-N 3.32Å; M245-Y247 HydrophobicContact CB-CE1 4.31Å; M245-Y247 HydrophobicContact CB-CE2 4.47Å; M245-Y247 PolarHBondContact O-N 3.25Å; Y247-Y249 VanDerWaalsContact C-N 3.26Å; Y247-Y249 PolarHBondContact O-N 2.98Å
248	D	88.9	Confident	86.9	Confident	144 Å²	144	93.2 Å²	93.2	77%	0.77	50%	0.5	S	S	*	.			trans	56.1	34.6	-178.1	-58.2	-20.1	0	0	0	114.8	S250	D248-S250 VanDerWaalsContact C-N 3.34Å; D248-S250 PolarHBondContact O-N 3.49Å
249	Y	88.3	Confident	86.3	Confident	158 Å²	158	98 Å²	98	62%	0.62	53%	0.525	S	S	*	.			trans	-59.5	-42.9	178.4	-179.2	-89	0	0	0	112.8	S220 Y247	S220-Y249 VanDerWaalsContact CA-CE2 3.46Å; S220-Y249 WeakPolarHBondContact CB-O 3.39Å; S220-Y249 PolarHBondContact O-OH 3.2Å; Y247-Y249 VanDerWaalsContact C-N 3.26Å; Y247-Y249 PolarHBondContact O-N 2.98Å
250	S	87.4	Confident	85.5	Confident	103 Å²	103	103.7 Å²	103.7	72%	0.72	56%	0.555	S	S	*	*	S	Bend	trans	-89.3	123.5	-177.5	-59.7	0	0	0	0	110.3	D248	D248-S250 VanDerWaalsContact C-N 3.34Å; D248-S250 PolarHBondContact O-N 3.49Å
251	S	78.9	Confident	84.5	Confident	99 Å²	99	104.6 Å²	104.6	69%	0.692	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-79.3	131.8	160.9	57.5	0	0	0	0	108.9
252	G	67.5	Low	83.5	Confident	55 Å²	55	110.8 Å²	110.8	57%	0.567	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-55	164.9	171.5	0	0	0	0	0	112.2	R254	G252-R254 PolarHBondContact O-N 2.85Å
253	P	52.3	Low	82.2	Confident	137 Å²	137	115.7 Å²	115.7	89%	0.89	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-55	126.9	174.1	22.6	-30.2	0	0	0	109.3
254	R	47.8	Very low	80.8	Confident	309 Å²	309	124.6 Å²	124.6	100%	1.166	66%	0.659	S	S	*	*			trans	-68.7	0	169.6	-69.9	-172.7	-164.3	-179.2	4.6	110.5	G252	G252-R254 PolarHBondContact O-N 2.85Å

Retrieved 254 of 254 residues in 1086.1 ms (Link to these results)

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