A0A077YVY5_TRITR Loading...

Neur chan LBD and Neur chan memb domain containin g protein

AlphaFold DB , UniProt , Accession A0A077YVY5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 481 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.7	Very low	52.3	Low	199 Å²	199	93.9 Å²	93.9	98%	0.98	45%	0.451	S	S	*	.				0	89.7	0	-77.3	172.1	166.7	0	0	107.8
2	G	43.4	Very low	52.5	Low	23 Å²	23	91.8 Å²	91.8	24%	0.237	44%	0.438	C	S	.	.			trans	-74.6	-177	-174.8	0	0	0	0	0	113.6	S4 G5	G2-S4 PolarHBondContact O-N 3.34Å; G2-S4 VanDerWaalsContact O-N 3.14Å; G2-G5 PolarHBondContact O-N 3.35Å
3	K	49.9	Very low	52.6	Low	171 Å²	171	89.4 Å²	89.4	74%	0.743	44%	0.437	S	S	*	.	H	α-helix	trans	-51.6	-36.1	-176.8	-72.9	178.2	178.7	174.2	0	113.2	G5 R6 D7	K3-G5 PolarHBondContact O-N 3.14Å; K3-R6 CarbonylContact O-C 3.54Å; K3-R6 WeakPolarHBondContact O-CA 3.25Å; K3-R6 VanDerWaalsContact O-CB 3.3Å; K3-R6 WeakPolarHBondContact O-CB 3.36Å; K3-R6 PolarHBondContact O-N 3.4Å; K3-D7 PolarHBondContact O-N 3.2Å
4	S	53.3	Low	52.3	Low	14 Å²	14	97.9 Å²	97.9	10%	0.098	46%	0.462	C	S	.	.	H	α-helix	trans	-54.8	-51.2	177	174.9	0	0	0	0	113.3	G2 R6 D7 Y8 E52	G2-S4 PolarHBondContact O-N 3.34Å; G2-S4 VanDerWaalsContact O-N 3.14Å; S4-R6 PolarHBondContact O-N 3.43Å; S4-R6 VanDerWaalsContact O-N 3.14Å; S4-D7 CarbonylContact O-C 3.57Å; S4-D7 PolarHBondContact O-N 3.28Å; S4-Y8 WeakPolarHBondContact O-CD2 3.47Å; S4-Y8 PolarHBondContact O-N 2.87Å; S4-Y8 WeakPolarHBondContact OG-CD2 3.5Å; S4-Y8 VanDerWaalsContact OG-CE2 3.22Å; S4-Y8 WeakPolarHBondContact OG-CE2 3.39Å; S4-E52 PolarHBondContact OG-OE1 3.04Å; S4-E52 PolarHBondContact OG-OE2 2.74Å
5	G	52.5	Low	52.3	Low	19 Å²	19	102.8 Å²	102.8	20%	0.196	48%	0.481	C	S	.	.	H	α-helix	trans	-61.5	-28.8	178.4	0	0	0	0	0	113.1	G2 K3 A9	G2-G5 PolarHBondContact O-N 3.35Å; K3-G5 PolarHBondContact O-N 3.14Å; G5-A9 VanDerWaalsContact O-CB 3.27Å; G5-A9 WeakPolarHBondContact O-CB 3.32Å; G5-A9 PolarHBondContact O-N 3.5Å
6	R	51.2	Low	52.2	Low	166 Å²	166	103.6 Å²	103.6	63%	0.626	50%	0.501	S	S	*	.	H	α-helix	trans	-74.5	-40.9	174.3	-144.7	-175.5	-68.5	179.4	-1.4	110.9	K3 S4 A9 E10	K3-R6 CarbonylContact O-C 3.54Å; K3-R6 WeakPolarHBondContact O-CA 3.25Å; K3-R6 VanDerWaalsContact O-CB 3.3Å; K3-R6 WeakPolarHBondContact O-CB 3.36Å; K3-R6 PolarHBondContact O-N 3.4Å; S4-R6 PolarHBondContact O-N 3.43Å; S4-R6 VanDerWaalsContact O-N 3.14Å; R6-A9 PolarHBondContact O-N 3.12Å; R6-E10 VanDerWaalsContact O-CB 3.31Å; R6-E10 WeakPolarHBondContact O-CB 3.19Å; R6-E10 VanDerWaalsContact O-CG 3.3Å; R6-E10 WeakPolarHBondContact O-CG 3.39Å; R6-E10 PolarHBondContact O-N 3.1Å
7	D	55.8	Low	52.1	Low	98 Å²	98	105.4 Å²	105.4	52%	0.524	51%	0.512	S	S	.	.	H	α-helix	trans	-67.2	-38.8	175.6	-68.3	-30.8	0	0	0	112	K3 S4 E10 R11	K3-D7 PolarHBondContact O-N 3.2Å; S4-D7 CarbonylContact O-C 3.57Å; S4-D7 PolarHBondContact O-N 3.28Å; D7-E10 PolarHBondContact O-N 3.16Å; D7-R11 WeakPolarHBondContact O-CB 3.2Å; D7-R11 PolarHBondContact O-N 2.88Å
8	Y	54.7	Low	51.9	Low	29 Å²	29	108.7 Å²	108.7	11%	0.114	53%	0.527	C	S	.	.	H	α-helix	trans	-63.4	-49.5	171.1	-81.2	-76.9	0	0	0	110.6	S4 E10 R11 F12 E50 L77	S4-Y8 WeakPolarHBondContact O-CD2 3.47Å; S4-Y8 PolarHBondContact O-N 2.87Å; S4-Y8 WeakPolarHBondContact OG-CD2 3.5Å; S4-Y8 VanDerWaalsContact OG-CE2 3.22Å; S4-Y8 WeakPolarHBondContact OG-CE2 3.39Å; Y8-E10 VanDerWaalsContact C-N 3.29Å; Y8-E10 PolarHBondContact O-N 2.96Å; Y8-R11 PolarHBondContact O-N 3.18Å; Y8-F12 HydrophobicContact CD1-CD2 4.39Å; Y8-F12 AromaticContact CD1-CE2 3.91Å; Y8-F12 HydrophobicContact CD1-CE2 3.91Å; Y8-F12 WeakPolarHBondContact O-CD2 3.08Å; Y8-F12 PolarHBondContact O-N 3.12Å; Y8-F12 VanDerWaalsContact O-N 3.08Å; Y8-E50 PolarHBondContact OH-OE2 3.19Å; Y8-E50 VanDerWaalsContact OH-OE2 3.05Å; Y8-L77 HydrophobicContact CD1-CD2 3.76Å; Y8-L77 HydrophobicContact CE1-CD2 3.52Å
9	A	55.5	Low	51.7	Low	38 Å²	38	112.4 Å²	112.4	31%	0.314	54%	0.543	S	S	.	.	H	α-helix	trans	-57.2	-43.9	175.4	0	0	0	0	0	111.2	G5 R6 S13	G5-A9 VanDerWaalsContact O-CB 3.27Å; G5-A9 WeakPolarHBondContact O-CB 3.32Å; G5-A9 PolarHBondContact O-N 3.5Å; R6-A9 PolarHBondContact O-N 3.12Å; A9-S13 WeakPolarHBondContact O-CA 3.36Å; A9-S13 WeakPolarHBondContact O-CB 3.21Å; A9-S13 PolarHBondContact O-N 3.49Å
10	E	56.5	Low	51.7	Low	97 Å²	97	112.8 Å²	112.8	45%	0.453	55%	0.548	S	S	.	.	H	α-helix	trans	-72.3	-37	-179.9	-76.2	-175.2	-162.2	0	0	113.5	R6 D7 Y8 F12	R6-E10 VanDerWaalsContact O-CB 3.31Å; R6-E10 WeakPolarHBondContact O-CB 3.19Å; R6-E10 VanDerWaalsContact O-CG 3.3Å; R6-E10 WeakPolarHBondContact O-CG 3.39Å; R6-E10 PolarHBondContact O-N 3.1Å; D7-E10 PolarHBondContact O-N 3.16Å; Y8-E10 VanDerWaalsContact C-N 3.29Å; Y8-E10 PolarHBondContact O-N 2.96Å; E10-F12 VanDerWaalsContact C-N 3.26Å; E10-F12 PolarHBondContact O-N 3.45Å
11	R	57.5	Low	52	Low	179 Å²	179	117 Å²	117	68%	0.675	57%	0.566	S	S	*	*	H	α-helix	trans	-65.1	-33	177.9	-172.4	178.2	-114.1	179.8	1.3	111.1	D7 Y8	D7-R11 WeakPolarHBondContact O-CB 3.2Å; D7-R11 PolarHBondContact O-N 2.88Å; Y8-R11 PolarHBondContact O-N 3.18Å
12	F	55.1	Low	53.7	Low	68 Å²	68	110.8 Å²	110.8	30%	0.298	55%	0.553	S	S	.	*	H	α-helix	trans	-104.6	-17	-177.8	-64.9	-71.4	0	0	0	114.7	Y8 E10 Y133	Y8-F12 HydrophobicContact CD1-CD2 4.39Å; Y8-F12 AromaticContact CD1-CE2 3.91Å; Y8-F12 HydrophobicContact CD1-CE2 3.91Å; Y8-F12 WeakPolarHBondContact O-CD2 3.08Å; Y8-F12 PolarHBondContact O-N 3.12Å; Y8-F12 VanDerWaalsContact O-N 3.08Å; E10-F12 VanDerWaalsContact C-N 3.26Å; E10-F12 PolarHBondContact O-N 3.45Å; F12-Y133 HydrophobicContact CB-CD1 3.78Å; F12-Y133 HydrophobicContact CB-CE1 3.71Å; F12-Y133 HydrophobicContact CG-CD1 4.36Å; F12-Y133 HydrophobicContact CG-CE1 4.36Å
13	S	53.8	Low	55.6	Low	61 Å²	61	112.3 Å²	112.3	43%	0.427	56%	0.56	S	S	.	*	H	α-helix	trans	-96.8	5	-175.1	-169.6	0	0	0	0	115.6	A9 K15	A9-S13 WeakPolarHBondContact O-CA 3.36Å; A9-S13 WeakPolarHBondContact O-CB 3.21Å; A9-S13 PolarHBondContact O-N 3.49Å; S13-K15 VanDerWaalsContact C-N 3.3Å; S13-K15 PolarHBondContact O-N 2.85Å
14	R	48.7	Very low	57.4	Low	208 Å²	208	105.7 Å²	105.7	79%	0.785	53%	0.532	S	S	*	.			trans	-75.9	76.4	179	-79	-177.1	-171.7	-169.3	4	112.5
15	K	51.8	Low	59.1	Low	172 Å²	172	109.6 Å²	109.6	75%	0.748	55%	0.552	S	S	*	*	S	Bend	trans	-167	111.3	149.5	-103.3	162.2	-170.6	-175.3	0	109.6	S13	S13-K15 VanDerWaalsContact C-N 3.3Å; S13-K15 PolarHBondContact O-N 2.85Å
16	S	50.4	Low	60.8	Low	115 Å²	115	110.4 Å²	110.4	80%	0.804	55%	0.552	S	S	*	*			trans	-64.5	138.2	-178.9	52.5	0	0	0	0	112.7	Q18	S16-Q18 PolarHBondContact O-N 2.86Å
17	I	50.5	Low	62.6	Low	134 Å²	134	106.5 Å²	106.5	69%	0.687	55%	0.55	S	S	*	*			trans	-54.8	112.8	178.4	-62.5	159.9	0	0	0	110.7
18	Q	49.1	Very low	64.1	Low	166 Å²	166	105.8 Å²	105.8	78%	0.776	54%	0.544	S	S	*	.			trans	-91.9	120.7	154.6	-78.2	-169.7	-13.5	0	0	107.3	S16 N20	S16-Q18 PolarHBondContact O-N 2.86Å; Q18-N20 PolarHBondContact O-N 3.25Å
19	H	48.3	Very low	65.9	Low	179 Å²	179	104.4 Å²	104.4	83%	0.829	54%	0.538	S	S	*	.			trans	-73	74.6	179.3	-146.3	-61.3	0	0	0	109.3
20	N	52	Low	67.6	Low	119 Å²	119	103.5 Å²	103.5	64%	0.636	53%	0.528	S	S	*	.			trans	-80.2	127.6	177.6	-112.6	-2.3	0	0	0	109.8	Q18 G22	Q18-N20 PolarHBondContact O-N 3.25Å; N20-G22 PolarHBondContact O-N 3.39Å
21	Q	57.6	Low	69.2	Low	202 Å²	202	105.5 Å²	105.5	94%	0.944	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	102.7	170.4	-72.1	174.6	-21.7	0	0	108.5
22	G	79.7	Confident	70.8	Confident	68 Å²	68	103.4 Å²	103.4	70%	0.701	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	133.8	19.4	179.9	0	0	0	0	0	116.6	N20	N20-G22 PolarHBondContact O-N 3.39Å
23	C	84.6	Confident	72.6	Confident	55 Å²	55	100.4 Å²	100.4	37%	0.372	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-79.6	149.4	175.3	67.3	0	0	0	0	112.1	N89 C91	C23-N89 WeakPolarHBondContact CA-O 3.39Å; C23-C91 HydrophobicContact CB-CB 3.86Å; C23-C91 WeakPolarHBondContact CB-SG 3.37Å; C23-C91 PolarHBondContact O-SG 3.18Å; C23-C91 VanDerWaalsContact SG-CA 3.54Å; C23-C91 WeakPolarHBondContact SG-CB 3.43Å; C23-C91 CovalentContact SG-SG 2.03Å; C23-C91 PolarHBondContact SG-SG 3.41Å
24	L	87.3	Confident	74.4	Confident	32 Å²	32	100 Å²	100	17%	0.168	51%	0.509	C	S	.	.	B	Isolated β-bridge	trans	-81.7	138.4	176.7	-97.8	78.2	0	0	0	111.8	E28 V29 M88 N89 C91	L24-E28 HydrophobicContact CD2-CB 4.49Å; L24-V29 HydrophobicContact CB-CG2 3.81Å; L24-V29 HydrophobicContact CD2-CG2 4.19Å; L24-M88 WeakPolarHBondContact CD1-O 3.36Å; L24-M88 HydrophobicContact CD2-CB 4.46Å; L24-N89 PolarHBondContact N-O 3.33Å; L24-C91 PolarHBondContact O-N 3.05Å; L24-C91 VanDerWaalsContact O-N 3.1Å; L24-C91 PolarHBondContact O-SG 2.96Å
25	N	88.6	Confident	76.4	Confident	97 Å²	97	94.7 Å²	94.7	52%	0.519	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-69.3	147	173.7	-71.9	-32.9	0	0	0	111.6	S27 E28 V29	N25-S27 VanDerWaalsContact C-N 3.25Å; N25-S27 PolarHBondContact O-N 2.76Å; N25-E28 HydrophobicContact CB-CG 4.5Å; N25-E28 PolarHBondContact O-N 3.29Å; N25-E28 VanDerWaalsContact O-N 3.07Å; N25-V29 PolarHBondContact O-N 3.33Å; N25-V29 VanDerWaalsContact O-N 3.14Å
26	D	88	Confident	78.2	Confident	35 Å²	35	92.1 Å²	92.1	19%	0.187	50%	0.503	C	S	.	.	H	α-helix	trans	-52.7	-41.3	-179.1	-60.1	-13.3	0	0	0	112.5	V29 I30 K92 M95	D26-V29 PolarHBondContact O-N 2.98Å; D26-I30 WeakPolarHBondContact O-CG1 3.34Å; D26-I30 PolarHBondContact O-N 3.04Å; D26-K92 WeakPolarHBondContact OD2-CD 3.47Å; D26-K92 WeakPolarHBondContact OD2-CE 3.37Å; D26-K92 IonicContact OD2-NZ 3.84Å; D26-K92 PolarHBondContact OD2-NZ 3.06Å; D26-M95 HydrophobicContact CB-CE 4Å; D26-M95 HydrophobicContact CB-CG 4.11Å; D26-M95 HydrophobicContact CB-SD 3.81Å
27	S	88.2	Confident	80.2	Confident	85 Å²	85	88.2 Å²	88.2	59%	0.594	47%	0.471	S	S	*	.	H	α-helix	trans	-62.3	-44.4	178.1	-54.8	0	0	0	0	113	N25 V29 I30 E31	N25-S27 VanDerWaalsContact C-N 3.25Å; N25-S27 PolarHBondContact O-N 2.76Å; S27-V29 VanDerWaalsContact C-N 3.34Å; S27-V29 PolarHBondContact O-N 2.92Å; S27-I30 PolarHBondContact O-N 3.17Å; S27-E31 WeakPolarHBondContact O-CG 3.44Å; S27-E31 PolarHBondContact O-N 3.02Å
28	E	89	Confident	82.3	Confident	83 Å²	83	86.3 Å²	86.3	39%	0.388	46%	0.462	S	S	.	.	H	α-helix	trans	-67.7	-37.2	179.7	-68.7	179.4	-157.3	0	0	111.6	L24 N25 R32	L24-E28 HydrophobicContact CD2-CB 4.49Å; N25-E28 HydrophobicContact CB-CG 4.5Å; N25-E28 PolarHBondContact O-N 3.29Å; N25-E28 VanDerWaalsContact O-N 3.07Å; E28-R32 WeakPolarHBondContact O-CB 3.26Å; E28-R32 VanDerWaalsContact O-CG 3.26Å; E28-R32 WeakPolarHBondContact O-CG 3.37Å; E28-R32 PolarHBondContact O-N 3.22Å; E28-R32 VanDerWaalsContact O-N 3.12Å
29	V	91.3	Very high	84.3	Confident	0 Å²	0	85 Å²	85	0%	0	45%	0.45	C	S	.	.	H	α-helix	trans	-62.3	-48.4	175.9	173.8	0	0	0	0	109.8	L24 N25 D26 S27 R32 L33 Y85 M88 M95	L24-V29 HydrophobicContact CB-CG2 3.81Å; L24-V29 HydrophobicContact CD2-CG2 4.19Å; N25-V29 PolarHBondContact O-N 3.33Å; N25-V29 VanDerWaalsContact O-N 3.14Å; D26-V29 PolarHBondContact O-N 2.98Å; S27-V29 VanDerWaalsContact C-N 3.34Å; S27-V29 PolarHBondContact O-N 2.92Å; V29-R32 PolarHBondContact O-N 3.21Å; V29-L33 HydrophobicContact CG1-CD1 3.98Å; V29-L33 HydrophobicContact CG1-CG 4.4Å; V29-L33 VanDerWaalsContact O-CG 3.3Å; V29-L33 WeakPolarHBondContact O-CG 3.48Å; V29-L33 PolarHBondContact O-N 3.09Å; V29-Y85 HydrophobicContact CG1-CD1 4.3Å; V29-Y85 HydrophobicContact CG1-CD2 4.07Å; V29-Y85 HydrophobicContact CG1-CG 3.73Å; V29-M88 HydrophobicContact CG1-SD 4.33Å; V29-M95 HydrophobicContact CB-CE 3.91Å; V29-M95 HydrophobicContact CG1-CE 3.79Å
30	I	90.9	Very high	86.3	Confident	19 Å²	19	82.4 Å²	82.4	10%	0.097	44%	0.442	C	S	.	.	H	α-helix	trans	-66.4	-42.6	-178.6	-71.3	-68.5	0	0	0	112.4	D26 S27 R32 L33 L34 M95 L97 I101	D26-I30 WeakPolarHBondContact O-CG1 3.34Å; D26-I30 PolarHBondContact O-N 3.04Å; S27-I30 PolarHBondContact O-N 3.17Å; I30-R32 VanDerWaalsContact C-N 3.3Å; I30-R32 PolarHBondContact O-N 3.45Å; I30-L33 HydrophobicContact CD1-CD1 4.36Å; I30-L33 PolarHBondContact O-N 3.02Å; I30-L34 HydrophobicContact CG2-CD1 3.55Å; I30-L34 HydrophobicContact CG2-CG 4.03Å; I30-L34 WeakPolarHBondContact O-CB 3.49Å; I30-L34 VanDerWaalsContact O-CG 3.3Å; I30-L34 WeakPolarHBondContact O-CG 3.46Å; I30-L34 PolarHBondContact O-N 3.37Å; I30-M95 HydrophobicContact CD1-SD 3.64Å; I30-M95 HydrophobicContact CG1-CE 4.33Å; I30-M95 HydrophobicContact CG1-SD 3.27Å; I30-M95 WeakPolarHBondContact CG1-SD 3.48Å; I30-L97 HydrophobicContact CD1-CD1 3.62Å; I30-L97 HydrophobicContact CD1-CD2 3.68Å; I30-L97 HydrophobicContact CD1-CG 4.28Å; I30-L97 HydrophobicContact CG1-CD2 3.71Å; I30-I101 HydrophobicContact CG2-CD1 4.3Å
31	E	91.2	Very high	88.3	Confident	139 Å²	139	83.8 Å²	83.8	65%	0.65	44%	0.443	S	S	*	.	H	α-helix	trans	-59.2	-42.6	176.1	-75.8	178.7	-176.7	0	0	111.7	S27 S35	S27-E31 WeakPolarHBondContact O-CG 3.44Å; S27-E31 PolarHBondContact O-N 3.02Å; E31-S35 WeakPolarHBondContact O-CB 3.43Å; E31-S35 PolarHBondContact O-N 2.87Å
32	R	91.3	Very high	90	Very high	134 Å²	134	75 Å²	75	51%	0.506	40%	0.402	S	S	.	.	H	α-helix	trans	-64.3	-46.1	176	-72.3	178.1	-169.4	-162.5	7.6	112	E28 V29 I30 S35	E28-R32 WeakPolarHBondContact O-CB 3.26Å; E28-R32 VanDerWaalsContact O-CG 3.26Å; E28-R32 WeakPolarHBondContact O-CG 3.37Å; E28-R32 PolarHBondContact O-N 3.22Å; E28-R32 VanDerWaalsContact O-N 3.12Å; V29-R32 PolarHBondContact O-N 3.21Å; I30-R32 VanDerWaalsContact C-N 3.3Å; I30-R32 PolarHBondContact O-N 3.45Å; R32-S35 PolarHBondContact O-N 3.02Å; R32-S35 PolarHBondContact O-OG 3.11Å
33	L	92.3	Very high	90.6	Very high	6 Å²	6	72.1 Å²	72.1	3%	0.031	37%	0.371	C	S	.	.	H	α-helix	trans	-60	-53	177.6	-70.4	175.3	0	0	0	110.6	V29 I30 S35 T36 Y37 L83 Y85 M88	V29-L33 HydrophobicContact CG1-CD1 3.98Å; V29-L33 HydrophobicContact CG1-CG 4.4Å; V29-L33 VanDerWaalsContact O-CG 3.3Å; V29-L33 WeakPolarHBondContact O-CG 3.48Å; V29-L33 PolarHBondContact O-N 3.09Å; I30-L33 HydrophobicContact CD1-CD1 4.36Å; I30-L33 PolarHBondContact O-N 3.02Å; L33-S35 VanDerWaalsContact C-N 3.27Å; L33-S35 PolarHBondContact O-N 3.49Å; L33-T36 PolarHBondContact O-N 2.96Å; L33-T36 PolarHBondContact O-OG1 3.11Å; L33-Y37 WeakPolarHBondContact O-CB 3.43Å; L33-Y37 PolarHBondContact O-N 3.37Å; L33-Y37 VanDerWaalsContact O-N 3.15Å; L33-L83 HydrophobicContact CB-CD2 4.46Å; L33-Y85 HydrophobicContact CD1-CD1 4.04Å; L33-M88 HydrophobicContact CD2-CE 3.9Å; L33-M88 HydrophobicContact CG-CE 4.47Å
34	L	91.9	Very high	90.7	Very high	53 Å²	53	72.9 Å²	72.9	28%	0.277	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-30.4	-177.8	-68.9	177.5	0	0	0	113.2	I30 T36 Y37 I101 F104 L105	I30-L34 HydrophobicContact CG2-CD1 3.55Å; I30-L34 HydrophobicContact CG2-CG 4.03Å; I30-L34 WeakPolarHBondContact O-CB 3.49Å; I30-L34 VanDerWaalsContact O-CG 3.3Å; I30-L34 WeakPolarHBondContact O-CG 3.46Å; I30-L34 PolarHBondContact O-N 3.37Å; L34-T36 PolarHBondContact O-N 3.31Å; L34-Y37 PolarHBondContact O-N 3.17Å; L34-I101 HydrophobicContact CD1-CG2 4.41Å; L34-F104 HydrophobicContact CD2-CB 4.05Å; L34-L105 HydrophobicContact CD2-CD2 3.88Å
35	S	90.5	Very high	90.8	Very high	95 Å²	95	74 Å²	74	66%	0.664	41%	0.408	S	S	*	.	H	α-helix	trans	-63.1	-28.7	178.7	73.8	0	0	0	0	114.1	E31 R32 L33	E31-S35 WeakPolarHBondContact O-CB 3.43Å; E31-S35 PolarHBondContact O-N 2.87Å; R32-S35 PolarHBondContact O-N 3.02Å; R32-S35 PolarHBondContact O-OG 3.11Å; L33-S35 VanDerWaalsContact C-N 3.27Å; L33-S35 PolarHBondContact O-N 3.49Å
36	T	89.1	Confident	91.1	Very high	119 Å²	119	74.9 Å²	74.9	73%	0.73	41%	0.407	S	S	*	.	H	α-helix	trans	-106.4	-8.2	-179.2	60.4	0	0	0	0	112.9	L33 L34	L33-T36 PolarHBondContact O-N 2.96Å; L33-T36 PolarHBondContact O-OG1 3.11Å; L34-T36 PolarHBondContact O-N 3.31Å
37	Y	93.8	Very high	91.4	Very high	32 Å²	32	73.3 Å²	73.3	13%	0.125	40%	0.399	C	S	.	.			trans	-80.4	134.5	-172.2	-167.4	-97.5	0	0	0	112.1	L33 L34 R39 D80 A82 L83 F104 L105 W106	L33-Y37 WeakPolarHBondContact O-CB 3.43Å; L33-Y37 PolarHBondContact O-N 3.37Å; L33-Y37 VanDerWaalsContact O-N 3.15Å; L34-Y37 PolarHBondContact O-N 3.17Å; Y37-R39 HydrophobicContact CE1-CB 4.21Å; Y37-D80 WeakPolarHBondContact CE2-OD2 3.34Å; Y37-D80 VanDerWaalsContact CZ-OD2 3.3Å; Y37-D80 PolarHBondContact OH-OD2 3.37Å; Y37-A82 HydrophobicContact CD2-CB 3.85Å; Y37-A82 HydrophobicContact CE2-CB 3.86Å; Y37-L83 HydrophobicContact CD2-CD2 3.76Å; Y37-L83 HydrophobicContact CD2-CG 4.23Å; Y37-L83 HydrophobicContact CE2-CD1 4.29Å; Y37-L83 HydrophobicContact CE2-CD2 3.77Å; Y37-L83 HydrophobicContact CE2-CG 3.77Å; Y37-L83 HydrophobicContact CG-CD2 4.46Å; Y37-F104 WeakPolarHBondContact CD1-O 3.42Å; Y37-L105 HydrophobicContact CD1-CD2 4.37Å; Y37-L105 HydrophobicContact CE1-CD2 4.14Å; Y37-W106 VanDerWaalsContact OH-CB 3.26Å; Y37-W106 WeakPolarHBondContact OH-CB 3.45Å; Y37-W106 PolarHBondContact OH-N 2.77Å
38	N	92.8	Very high	91.8	Very high	95 Å²	95	72.5 Å²	72.5	51%	0.508	39%	0.393	S	S	.	.			trans	-115.8	105.4	173.2	-177	-9.9	0	0	0	109.9	N40 K41	N38-N40 PolarHBondContact O-N 3.45Å; N38-N40 VanDerWaalsContact O-N 3.09Å; N38-N40 WeakPolarHBondContact OD1-CB 3.49Å; N38-N40 PolarHBondContact OD1-N 3.26Å; N38-K41 PolarHBondContact O-N 3.34Å
39	R	91.8	Very high	92.1	Very high	138 Å²	138	68.6 Å²	68.6	52%	0.521	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.6	-178.5	79.3	177.6	-172.6	179	-1.6	115.2	Y37 K41 K103 F104 W106	Y37-R39 HydrophobicContact CE1-CB 4.21Å; R39-K41 VanDerWaalsContact C-N 3.31Å; R39-K103 PolarHBondContact NH1-O 3.08Å; R39-F104 WeakPolarHBondContact CB-O 3.37Å; R39-W106 VanDerWaalsContact O-CD1 3.27Å
40	N	91.2	Very high	92.3	Very high	124 Å²	124	72.2 Å²	72.2	66%	0.663	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.3	-177.1	-61.8	-25.5	0	0	0	112.4	N38	N38-N40 PolarHBondContact O-N 3.45Å; N38-N40 VanDerWaalsContact O-N 3.09Å; N38-N40 WeakPolarHBondContact OD1-CB 3.49Å; N38-N40 PolarHBondContact OD1-N 3.26Å
41	K	92.4	Very high	92.6	Very high	149 Å²	149	71.4 Å²	71.4	65%	0.648	39%	0.388	S	S	*	.	S	Bend	trans	-99.9	126.3	-178.8	-173.2	178.1	179.3	-178.6	0	110.1	N38 R39	N38-K41 PolarHBondContact O-N 3.34Å; R39-K41 VanDerWaalsContact C-N 3.31Å
42	V	93.8	Very high	92.8	Very high	17 Å²	17	65.3 Å²	65.3	10%	0.103	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-61.2	128.2	173.5	-179.3	0	0	0	0	109.6	G44 G45 A47 W106 Y173	V42-G44 PolarHBondContact O-N 3.43Å; V42-G45 PolarHBondContact O-N 3.12Å; V42-A47 HydrophobicContact CG1-CB 3.99Å; V42-W106 HydrophobicContact CG1-CZ2 4.2Å; V42-W106 HydrophobicContact CG2-CZ2 4.41Å; V42-Y173 HydrophobicContact CG2-CD1 4.21Å; V42-Y173 HydrophobicContact CG2-CE1 3.82Å
43	P	92.2	Very high	93	Very high	7 Å²	7	58.9 Å²	58.9	5%	0.045	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-57.5	128.4	-179.7	-25.8	33.5	0	0	0	112.4	G45 K46 D80 W106	P43-G45 PolarHBondContact O-N 3.37Å; P43-K46 CarbonylContact O-C 3.55Å; P43-D80 HydrophobicContact CB-CB 3.98Å; P43-D80 HydrophobicContact CG-CB 4.1Å; P43-W106 VanDerWaalsContact CD-CE3 3.44Å; P43-W106 HydrophobicContact CG-CD2 3.89Å; P43-W106 HydrophobicContact CG-CE3 3.54Å; P43-W106 HydrophobicContact CG-CG 4.33Å; P43-W106 HydrophobicContact CG-CZ3 4.02Å
44	G	86.5	Confident	93.1	Very high	72 Å²	72	60 Å²	60	74%	0.742	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	65.2	4.7	178	0	0	0	0	0	116.1	V42 K46	V42-G44 PolarHBondContact O-N 3.43Å; G44-K46 PolarHBondContact O-N 3.49Å
45	G	90.4	Very high	93.3	Very high	55 Å²	55	57.5 Å²	57.5	57%	0.567	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	82.2	-22.5	-175.4	0	0	0	0	0	114.5	V42 P43	V42-G45 PolarHBondContact O-N 3.12Å; P43-G45 PolarHBondContact O-N 3.37Å
46	K	94	Very high	93.4	Very high	115 Å²	115	54.7 Å²	54.7	50%	0.5	30%	0.302	S	S	.	.	S	Bend	trans	-147	118.1	168.5	-178.5	169.2	-170.4	154.1	0	109.1	P43 G44 T175 D176 E177	P43-K46 CarbonylContact O-C 3.55Å; G44-K46 PolarHBondContact O-N 3.49Å; K46-T175 WeakPolarHBondContact CE-O 3.46Å; K46-T175 PolarHBondContact NZ-O 3.43Å; K46-D176 VanDerWaalsContact CD-O 3.3Å; K46-D176 WeakPolarHBondContact CD-O 3.31Å; K46-D176 WeakPolarHBondContact CG-O 2.98Å; K46-E177 CarbonylContact C-O 3.57Å; K46-E177 WeakPolarHBondContact CA-O 3.3Å
47	A	95	Very high	93.5	Very high	2 Å²	2	52.3 Å²	52.3	2%	0.017	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.5	-179.5	0	0	0	0	0	110.8	V42 W106 E177 V178 S179	V42-A47 HydrophobicContact CG1-CB 3.99Å; A47-W106 HydrophobicContact CB-CH2 3.69Å; A47-W106 HydrophobicContact CB-CZ2 4.47Å; A47-W106 HydrophobicContact CB-CZ3 4.08Å; A47-E177 PolarHBondContact N-O 2.89Å; A47-V178 HydrophobicContact CB-CG2 4.49Å; A47-V178 WeakPolarHBondContact O-CA 3.32Å; A47-S179 PolarHBondContact O-N 3.11Å
48	S	95.7	Very high	93.5	Very high	68 Å²	68	50.9 Å²	50.9	48%	0.476	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.1	170.2	-168.2	0	0	0	0	108.3	W78 S179	S48-W78 WeakPolarHBondContact O-CB 3.38Å; S48-S179 WeakPolarHBondContact CA-O 3.38Å
49	V	96.1	Very high	93.4	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	115.6	-177.5	-175.2	0	0	0	0	108.8	E76 L77 W78 P108 V178 S179 M180 S181	V49-E76 HydrophobicContact CG1-CB 4.08Å; V49-L77 CarbonylContact C-O 3.57Å; V49-L77 WeakPolarHBondContact CA-O 3.47Å; V49-W78 HydrophobicContact CG2-CB 4.15Å; V49-P108 HydrophobicContact CG1-CG 4.35Å; V49-P108 HydrophobicContact CG2-CB 3.89Å; V49-P108 HydrophobicContact CG2-CG 4.29Å; V49-V178 HydrophobicContact CG2-CG1 3.81Å; V49-S179 PolarHBondContact N-O 3.22Å; V49-M180 HydrophobicContact CB-CG 4.42Å; V49-M180 WeakPolarHBondContact O-CA 3.49Å; V49-S181 PolarHBondContact O-N 3.04Å
50	E	96.4	Very high	93.5	Very high	76 Å²	76	46 Å²	46	36%	0.355	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.3	171.1	-68.8	-178.3	-176.2	0	0	109.8	Y8 E76 L77 S181	Y8-E50 PolarHBondContact OH-OE2 3.19Å; Y8-E50 VanDerWaalsContact OH-OE2 3.05Å; E50-E76 WeakPolarHBondContact O-CA 3.5Å; E50-L77 HydrophobicContact CB-CB 4.22Å; E50-L77 PolarHBondContact N-O 3.26Å; E50-L77 PolarHBondContact O-N 3.33Å; E50-S181 CarbonylContact C-O 3.59Å; E50-S181 WeakPolarHBondContact CA-O 2.99Å
51	L	96	Very high	93.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.2	179.7	-166.7	75	0	0	0	110.9	V53 V74 T75 E76 F168 S181 W182 S183 L221	L51-V53 HydrophobicContact CD2-CG2 4.15Å; L51-V53 HydrophobicContact CG-CG2 4.21Å; L51-V74 HydrophobicContact CD1-CG1 3.42Å; L51-V74 VanDerWaalsContact CD1-CG1 3.42Å; L51-V74 HydrophobicContact CG-CG1 4.41Å; L51-T75 WeakPolarHBondContact CA-O 3.34Å; L51-E76 HydrophobicContact CD1-CG 3.93Å; L51-F168 HydrophobicContact CD1-CD1 3.8Å; L51-F168 HydrophobicContact CD1-CE1 3.48Å; L51-F168 VanDerWaalsContact CD1-CE1 3.48Å; L51-F168 HydrophobicContact CD1-CZ 4.2Å; L51-F168 HydrophobicContact CD2-CB 4.09Å; L51-F168 HydrophobicContact CD2-CD1 3.51Å; L51-F168 HydrophobicContact CD2-CE1 4.11Å; L51-F168 HydrophobicContact CD2-CG 3.97Å; L51-F168 HydrophobicContact CG-CD1 4.32Å; L51-F168 HydrophobicContact CG-CE1 4.46Å; L51-S181 PolarHBondContact N-O 3.47Å; L51-W182 HydrophobicContact CB-CE3 4.37Å; L51-W182 HydrophobicContact CD2-CE3 4.19Å; L51-W182 HydrophobicContact CD2-CH2 3.98Å; L51-W182 HydrophobicContact CD2-CZ3 3.64Å; L51-W182 HydrophobicContact CG-CE3 4.5Å; L51-W182 HydrophobicContact CG-CZ3 4.21Å; L51-S183 PolarHBondContact O-N 3.49Å; L51-L221 HydrophobicContact CB-CD1 3.67Å; L51-L221 HydrophobicContact CD2-CB 4.18Å; L51-L221 HydrophobicContact CD2-CD1 3.57Å; L51-L221 HydrophobicContact CG-CD1 4.23Å
52	E	95.5	Very high	93.7	Very high	11 Å²	11	35.8 Å²	35.8	5%	0.051	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.5	171.3	-178.9	174.5	141.2	0	0	109.2	S4 W54 T75 S183 V185	S4-E52 PolarHBondContact OG-OE1 3.04Å; S4-E52 PolarHBondContact OG-OE2 2.74Å; E52-W54 PolarHBondContact OE1-NE1 3.19Å; E52-T75 HydrophobicContact CB-CG2 4.36Å; E52-T75 PolarHBondContact N-O 3.42Å; E52-T75 WeakPolarHBondContact O-CB 3.27Å; E52-T75 PolarHBondContact O-N 2.96Å; E52-S183 WeakPolarHBondContact CB-OG 3.2Å; E52-S183 PolarHBondContact OE2-OG 3Å; E52-V185 HydrophobicContact CG-CB 4.28Å; E52-V185 HydrophobicContact CG-CG1 4.47Å
53	V	96.2	Very high	93.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125	-177.4	176.5	0	0	0	0	110.2	L51 L72 Y73 V74 W182 A186 V187 E188 M223	L51-V53 HydrophobicContact CD2-CG2 4.15Å; L51-V53 HydrophobicContact CG-CG2 4.21Å; V53-L72 HydrophobicContact CG1-CB 4.26Å; V53-L72 HydrophobicContact CG1-CD1 4.46Å; V53-L72 HydrophobicContact CG1-CD2 4.06Å; V53-Y73 WeakPolarHBondContact CA-O 3.43Å; V53-V74 HydrophobicContact CG2-CG2 4.49Å; V53-W182 HydrophobicContact CB-CZ3 4.48Å; V53-W182 HydrophobicContact CG2-CH2 4.49Å; V53-W182 HydrophobicContact CG2-CZ3 3.93Å; V53-A186 PolarHBondContact N-O 3.21Å; V53-V187 HydrophobicContact CB-CG1 4.42Å; V53-V187 HydrophobicContact CB-CG2 4.26Å; V53-V187 HydrophobicContact CG1-CG1 4.35Å; V53-V187 WeakPolarHBondContact O-CA 3.48Å; V53-E188 PolarHBondContact O-N 3.47Å; V53-M223 HydrophobicContact CB-CE 4.36Å; V53-M223 HydrophobicContact CG1-CE 4.04Å; V53-M223 HydrophobicContact CG1-SD 4.4Å; V53-M223 HydrophobicContact CG2-CE 3.91Å
54	W	95	Very high	93.4	Very high	30 Å²	30	40.9 Å²	40.9	11%	0.114	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	118.3	172.4	-72.3	82.5	0	0	0	109.9	E52 Q56 L72 Y73 V185 E188 M190	E52-W54 PolarHBondContact OE1-NE1 3.19Å; W54-Q56 PolarHBondContact O-N 3.03Å; W54-L72 CarbonylContact O-C 3.56Å; W54-L72 VanDerWaalsContact O-CA 3.28Å; W54-L72 WeakPolarHBondContact O-CA 3.29Å; W54-L72 WeakPolarHBondContact O-CB 3.4Å; W54-Y73 PolarHBondContact N-O 3.48Å; W54-Y73 PolarHBondContact O-N 3.38Å; W54-V185 HydrophobicContact CZ2-CG1 4.43Å; W54-E188 CarbonylContact C-O 3.53Å; W54-E188 WeakPolarHBondContact CA-O 3.28Å; W54-E188 HydrophobicContact CE3-CB 4.19Å; W54-E188 HydrophobicContact CH2-CB 4.29Å; W54-E188 HydrophobicContact CH2-CG 4.27Å; W54-E188 WeakPolarHBondContact CH2-OE2 3.49Å; W54-E188 HydrophobicContact CZ3-CB 4.02Å; W54-E188 HydrophobicContact CZ3-CG 3.95Å; W54-M190 HydrophobicContact CB-CG 3.84Å; W54-M190 HydrophobicContact CB-SD 4.25Å; W54-M190 HydrophobicContact CD2-CG 4.45Å; W54-M190 HydrophobicContact CE3-CG 3.84Å
55	V	94.6	Very high	93.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	113.8	177.9	-179.5	0	0	0	0	109	I58 I70 V187 E188 M190 M194 F225	V55-I58 HydrophobicContact CG1-CG1 4.35Å; V55-I70 HydrophobicContact CG1-CD1 3.73Å; V55-I70 HydrophobicContact CG1-CG1 4.02Å; V55-I70 HydrophobicContact CG2-CD1 4.19Å; V55-V187 HydrophobicContact CG2-CG1 4Å; V55-E188 PolarHBondContact N-O 3.15Å; V55-M190 WeakPolarHBondContact O-CB 3.23Å; V55-M190 WeakPolarHBondContact O-CG 3.29Å; V55-M190 PolarHBondContact O-N 3.24Å; V55-M194 HydrophobicContact CG1-CE 3.51Å; V55-M194 HydrophobicContact CG1-SD 4.22Å; V55-F225 HydrophobicContact CG2-CE1 3.94Å; V55-F225 HydrophobicContact CG2-CZ 4.05Å
56	Q	92.5	Very high	93.9	Very high	35 Å²	35	40.6 Å²	40.6	16%	0.164	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-57.3	179.1	-173.5	-176.8	-54	0	0	110.4	W54 D71 Y73 M190	W54-Q56 PolarHBondContact O-N 3.03Å; Q56-D71 WeakPolarHBondContact CA-O 3.26Å; Q56-D71 HydrophobicContact CB-CB 4.22Å; Q56-D71 WeakPolarHBondContact CB-O 3.33Å; Q56-D71 PolarHBondContact N-O 3.23Å; Q56-Y73 HydrophobicContact CB-CD2 4.34Å; Q56-Y73 HydrophobicContact CB-CE2 3.95Å; Q56-Y73 HydrophobicContact CG-CE2 4.16Å; Q56-Y73 PolarHBondContact OE1-OH 2.92Å; Q56-M190 HydrophobicContact CB-SD 3.89Å; Q56-M190 HydrophobicContact CG-SD 4.13Å
57	E	92.2	Very high	93.9	Very high	69 Å²	69	36 Å²	36	32%	0.322	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	154.1	-177.4	-163.6	162.2	154.1	0	0	109.9	D71 R191	E57-D71 PolarHBondContact N-O 3.15Å; E57-D71 PolarHBondContact O-N 3.48Å; E57-R191 IonicContact OE2-CZ 2.8Å; E57-R191 IonicContact OE2-NH1 3.52Å; E57-R191 PolarHBondContact OE2-NH1 3.38Å
58	I	93.1	Very high	93.9	Very high	3 Å²	3	36 Å²	36	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	108	169.1	-67.7	151	0	0	0	106.1	V55 I61 F68 N69 I70 M194 L196 F227	V55-I58 HydrophobicContact CG1-CG1 4.35Å; I58-I61 HydrophobicContact CG2-CG1 4.24Å; I58-F68 HydrophobicContact CG2-CD2 4.36Å; I58-N69 CarbonylContact C-O 3.59Å; I58-I70 HydrophobicContact CG1-CB 4.31Å; I58-I70 HydrophobicContact CG1-CD1 3.91Å; I58-I70 HydrophobicContact CG1-CG1 3.87Å; I58-M194 HydrophobicContact CB-CE 4.04Å; I58-M194 HydrophobicContact CD1-CE 3.5Å; I58-M194 VanDerWaalsContact CD1-CE 3.5Å; I58-M194 HydrophobicContact CD1-SD 3.83Å; I58-M194 HydrophobicContact CG1-CE 3.57Å; I58-M194 VanDerWaalsContact N-CE 3.3Å; I58-L196 HydrophobicContact CB-CD1 4.3Å; I58-L196 HydrophobicContact CB-CD2 4.38Å; I58-L196 HydrophobicContact CG2-CD2 3.86Å; I58-F227 HydrophobicContact CD1-CE1 3.68Å; I58-F227 HydrophobicContact CD1-CZ 3.67Å; I58-F227 HydrophobicContact CG2-CZ 4.46Å
59	T	91.8	Very high	93.9	Very high	85 Å²	85	34.9 Å²	34.9	52%	0.521	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-44.7	-168.9	-51.6	0	0	0	0	112.2	N69	T59-N69 PolarHBondContact N-O 2.7Å
60	S	92.8	Very high	93.9	Very high	46 Å²	46	34.8 Å²	34.8	32%	0.322	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	147.1	-177.5	61.4	0	0	0	0	111.5	F68 N69	S60-F68 CarbonylContact O-C 3.53Å; S60-F68 VanDerWaalsContact O-CA 3.27Å; S60-F68 WeakPolarHBondContact O-CA 3.28Å; S60-N69 PolarHBondContact O-N 3.17Å; S60-N69 PolarHBondContact OG-ND2 3.05Å
61	I	94	Very high	93.9	Very high	21 Å²	21	32.2 Å²	32.2	11%	0.108	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125	167.1	-59	171.6	0	0	0	106.4	I58 F68 M152 L196 Y199 F227	I58-I61 HydrophobicContact CG2-CG1 4.24Å; I61-F68 HydrophobicContact CB-CB 4.47Å; I61-F68 HydrophobicContact CG1-CB 3.91Å; I61-M152 HydrophobicContact CG2-CE 3.7Å; I61-L196 HydrophobicContact CD1-CD2 3.53Å; I61-L196 HydrophobicContact CG1-CD2 3.96Å; I61-Y199 HydrophobicContact CB-CD2 4.08Å; I61-Y199 HydrophobicContact CB-CE2 3.75Å; I61-Y199 HydrophobicContact CD1-CD1 4.44Å; I61-Y199 HydrophobicContact CD1-CD2 3.87Å; I61-Y199 HydrophobicContact CD1-CE2 4.29Å; I61-Y199 HydrophobicContact CD1-CG 3.93Å; I61-Y199 HydrophobicContact CG1-CD2 4.46Å; I61-Y199 HydrophobicContact CG2-CE2 3.92Å; I61-F227 HydrophobicContact CD1-CB 4.28Å; I61-F227 HydrophobicContact CD1-CD1 3.68Å; I61-F227 HydrophobicContact CD1-CD2 3.7Å; I61-F227 HydrophobicContact CD1-CE1 3.85Å; I61-F227 HydrophobicContact CD1-CE2 3.86Å; I61-F227 HydrophobicContact CD1-CG 3.61Å; I61-F227 HydrophobicContact CD1-CZ 3.93Å
62	S	93.1	Very high	93.8	Very high	36 Å²	36	32.2 Å²	32.2	25%	0.252	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	111.2	-178	174.7	0	0	0	0	110.3	I64 T65 S66 D67 M152	S62-I64 PolarHBondContact O-N 3.24Å; S62-T65 WeakPolarHBondContact CB-OG1 3.47Å; S62-T65 PolarHBondContact OG-N 2.82Å; S62-T65 PolarHBondContact OG-OG1 3.25Å; S62-S66 WeakPolarHBondContact O-CA 3.35Å; S62-S66 PolarHBondContact O-N 3.07Å; S62-D67 PolarHBondContact N-O 3.44Å; S62-D67 PolarHBondContact O-N 3.37Å; S62-M152 WeakPolarHBondContact O-CE 3.4Å
63	D	90.5	Very high	93.9	Very high	19 Å²	19	34 Å²	34	10%	0.102	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-32.6	173.2	-69.6	-47.3	0	0	0	111.9	M152 Y199 R229 P286	D63-M152 HydrophobicContact CB-SD 4.46Å; D63-Y199 PolarHBondContact OD1-OH 3.46Å; D63-Y199 PolarHBondContact OD2-OH 3.27Å; D63-R229 IonicContact OD1-CZ 3.75Å; D63-R229 IonicContact OD1-NH1 2.76Å; D63-R229 IonicContact OD1-NH2 2.75Å; D63-R229 PolarHBondContact OD1-NH2 2.99Å; D63-R229 IonicContact OD2-CZ 2.66Å; D63-R229 IonicContact OD2-NH1 2.89Å; D63-R229 PolarHBondContact OD2-NH1 3.47Å; D63-R229 IonicContact OD2-NH2 3.54Å; D63-R229 PolarHBondContact OD2-NH2 2.85Å; D63-P286 HydrophobicContact CB-CG 4.21Å; D63-P286 WeakPolarHBondContact O-CB 3.45Å; D63-P286 VanDerWaalsContact O-CG 3.27Å; D63-P286 WeakPolarHBondContact O-CG 3.31Å
64	I	91.2	Very high	93.9	Very high	113 Å²	113	34 Å²	34	58%	0.579	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-44.6	-174.8	-61.4	175.6	0	0	0	111.4	S62	S62-I64 PolarHBondContact O-N 3.24Å
65	T	92.9	Very high	93.9	Very high	71 Å²	71	32.9 Å²	32.9	44%	0.436	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-3.9	-177.3	45	0	0	0	0	113.2	S62 D67 K116	S62-T65 WeakPolarHBondContact CB-OG1 3.47Å; S62-T65 PolarHBondContact OG-N 2.82Å; S62-T65 PolarHBondContact OG-OG1 3.25Å; T65-D67 VanDerWaalsContact C-N 3.28Å; T65-D67 WeakPolarHBondContact CB-OD1 3.26Å; T65-D67 WeakPolarHBondContact CB-OD2 3.49Å; T65-D67 PolarHBondContact O-N 2.92Å; T65-D67 VanDerWaalsContact OG1-CG 3.3Å; T65-D67 PolarHBondContact OG1-OD1 3.49Å; T65-D67 PolarHBondContact OG1-OD2 3.46Å; T65-K116 PolarHBondContact O-NZ 3.22Å
66	S	92.9	Very high	94	Very high	49 Å²	49	33.2 Å²	33.2	34%	0.343	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	45.4	-178.7	-49.9	0	0	0	0	112.6	S62 C150	S62-S66 WeakPolarHBondContact O-CA 3.35Å; S62-S66 PolarHBondContact O-N 3.07Å; S66-C150 PolarHBondContact O-N 2.95Å
67	D	95	Very high	94.1	Very high	20 Å²	20	32.2 Å²	32.2	11%	0.107	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	166.2	177.1	48.4	28.4	0	0	0	112.1	S62 T65 K116 T147 G148	S62-D67 PolarHBondContact N-O 3.44Å; S62-D67 PolarHBondContact O-N 3.37Å; T65-D67 VanDerWaalsContact C-N 3.28Å; T65-D67 WeakPolarHBondContact CB-OD1 3.26Å; T65-D67 WeakPolarHBondContact CB-OD2 3.49Å; T65-D67 PolarHBondContact O-N 2.92Å; T65-D67 VanDerWaalsContact OG1-CG 3.3Å; T65-D67 PolarHBondContact OG1-OD1 3.49Å; T65-D67 PolarHBondContact OG1-OD2 3.46Å; D67-K116 HydrophobicContact CB-CD 4.21Å; D67-K116 IonicContact OD2-NZ 3.69Å; D67-K116 PolarHBondContact OD2-NZ 2.92Å; D67-T147 HydrophobicContact CB-CG2 3.87Å; D67-G148 CarbonylContact C-O 3.54Å; D67-G148 WeakPolarHBondContact CA-O 3.35Å; D67-G148 WeakPolarHBondContact CB-O 3.38Å
68	F	95.4	Very high	94.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.8	174.1	75.1	-65.3	0	0	0	110.4	I58 S60 I61 I70 T147 G148 C150 C164 L166 F225	I58-F68 HydrophobicContact CG2-CD2 4.36Å; S60-F68 CarbonylContact O-C 3.53Å; S60-F68 VanDerWaalsContact O-CA 3.27Å; S60-F68 WeakPolarHBondContact O-CA 3.28Å; I61-F68 HydrophobicContact CB-CB 4.47Å; I61-F68 HydrophobicContact CG1-CB 3.91Å; F68-I70 HydrophobicContact CD2-CB 4.07Å; F68-I70 HydrophobicContact CD2-CG2 4.27Å; F68-I70 HydrophobicContact CE2-CB 3.83Å; F68-I70 HydrophobicContact CE2-CD1 4Å; F68-I70 HydrophobicContact CE2-CG2 3.73Å; F68-I70 HydrophobicContact CZ-CG2 4.31Å; F68-T147 CarbonylContact O-C 3.58Å; F68-T147 WeakPolarHBondContact O-CA 3.49Å; F68-G148 WeakPolarHBondContact CD1-O 3.33Å; F68-G148 PolarHBondContact N-O 3.03Å; F68-G148 PolarHBondContact O-N 2.88Å; F68-C150 WeakPolarHBondContact CD1-SG 3.38Å; F68-C164 HydrophobicContact CD1-CB 3.51Å; F68-C164 HydrophobicContact CE1-CB 3.43Å; F68-C164 VanDerWaalsContact CE1-CB 3.43Å; F68-C164 HydrophobicContact CE2-CB 4.47Å; F68-C164 HydrophobicContact CG-CB 4.09Å; F68-C164 HydrophobicContact CZ-CB 3.93Å; F68-L166 HydrophobicContact CE1-CG 4.25Å; F68-L166 HydrophobicContact CE2-CD1 4.33Å; F68-L166 HydrophobicContact CZ-CD1 3.71Å; F68-L166 HydrophobicContact CZ-CG 3.77Å; F68-F225 AromaticContact CE2-CD2 4Å; F68-F225 HydrophobicContact CE2-CD2 4Å; F68-F225 HydrophobicContact CE2-CE2 4.22Å; F68-F225 AromaticContact CZ-CD2 3.93Å; F68-F225 HydrophobicContact CZ-CD2 3.93Å; F68-F225 HydrophobicContact CZ-CE2 4.18Å
69	N	95.7	Very high	94.4	Very high	45 Å²	45	33.1 Å²	33.1	24%	0.241	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.1	175	-66.9	-34.4	0	0	0	108.9	I58 T59 S60 L146 T147	I58-N69 CarbonylContact C-O 3.59Å; T59-N69 PolarHBondContact N-O 2.7Å; S60-N69 PolarHBondContact O-N 3.17Å; S60-N69 PolarHBondContact OG-ND2 3.05Å; N69-L146 CarbonylContact C-O 3.58Å; N69-L146 WeakPolarHBondContact CA-O 3.44Å; N69-T147 WeakPolarHBondContact OD1-CB 3.23Å; N69-T147 WeakPolarHBondContact OD1-CG2 3.19Å; N69-T147 PolarHBondContact OD1-OG1 2.93Å
70	I	95.5	Very high	94.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.8	-176.6	-175.2	169.6	0	0	0	110.2	V55 I58 F68 L72 L146 L166 F225	V55-I70 HydrophobicContact CG1-CD1 3.73Å; V55-I70 HydrophobicContact CG1-CG1 4.02Å; V55-I70 HydrophobicContact CG2-CD1 4.19Å; I58-I70 HydrophobicContact CG1-CB 4.31Å; I58-I70 HydrophobicContact CG1-CD1 3.91Å; I58-I70 HydrophobicContact CG1-CG1 3.87Å; F68-I70 HydrophobicContact CD2-CB 4.07Å; F68-I70 HydrophobicContact CD2-CG2 4.27Å; F68-I70 HydrophobicContact CE2-CB 3.83Å; F68-I70 HydrophobicContact CE2-CD1 4Å; F68-I70 HydrophobicContact CE2-CG2 3.73Å; F68-I70 HydrophobicContact CZ-CG2 4.31Å; I70-L72 HydrophobicContact CD1-CD2 4.32Å; I70-L72 HydrophobicContact CG1-CD2 4.47Å; I70-L72 HydrophobicContact CG2-CD2 4.39Å; I70-L146 HydrophobicContact CG2-CB 3.93Å; I70-L146 PolarHBondContact N-O 3.32Å; I70-L146 PolarHBondContact O-N 3.01Å; I70-L166 HydrophobicContact CG2-CD1 3.74Å; I70-F225 HydrophobicContact CD1-CE1 4.16Å; I70-F225 HydrophobicContact CD1-CE2 3.97Å; I70-F225 HydrophobicContact CD1-CZ 3.64Å
71	D	95.2	Very high	94.6	Very high	23 Å²	23	30.6 Å²	30.6	12%	0.123	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.4	170.5	-71.3	-12.8	0	0	0	108.4	Q56 E57 H121 L144 T145	Q56-D71 WeakPolarHBondContact CA-O 3.26Å; Q56-D71 HydrophobicContact CB-CB 4.22Å; Q56-D71 WeakPolarHBondContact CB-O 3.33Å; Q56-D71 PolarHBondContact N-O 3.23Å; E57-D71 PolarHBondContact N-O 3.15Å; E57-D71 PolarHBondContact O-N 3.48Å; D71-H121 IonicContact OD1-NE2 3.84Å; D71-L144 WeakPolarHBondContact CA-O 3.2Å; D71-T145 WeakPolarHBondContact OD1-CB 3.48Å; D71-T145 WeakPolarHBondContact OD1-CG2 3.18Å; D71-T145 PolarHBondContact OD1-OG1 2.99Å
72	L	95.8	Very high	94.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	159.2	-177.3	58.6	73.5	0	0	0	112.3	V53 W54 I70 V74 F112 L144 L146 L166 M223	V53-L72 HydrophobicContact CG1-CB 4.26Å; V53-L72 HydrophobicContact CG1-CD1 4.46Å; V53-L72 HydrophobicContact CG1-CD2 4.06Å; W54-L72 CarbonylContact O-C 3.56Å; W54-L72 VanDerWaalsContact O-CA 3.28Å; W54-L72 WeakPolarHBondContact O-CA 3.29Å; W54-L72 WeakPolarHBondContact O-CB 3.4Å; I70-L72 HydrophobicContact CD1-CD2 4.32Å; I70-L72 HydrophobicContact CG1-CD2 4.47Å; I70-L72 HydrophobicContact CG2-CD2 4.39Å; L72-V74 HydrophobicContact CD1-CG2 3.2Å; L72-F112 HydrophobicContact CD1-CZ 4.31Å; L72-F112 HydrophobicContact CD2-CZ 4.38Å; L72-L144 HydrophobicContact CD1-CB 4.08Å; L72-L144 HydrophobicContact CD1-CD1 4.23Å; L72-L144 PolarHBondContact N-O 3Å; L72-L144 PolarHBondContact O-N 2.99Å; L72-L146 HydrophobicContact CD1-CD1 4.05Å; L72-L146 HydrophobicContact CD2-CD1 3.67Å; L72-L146 HydrophobicContact CG-CD1 3.97Å; L72-L166 HydrophobicContact CD2-CD1 4.43Å; L72-M223 HydrophobicContact CD2-SD 4.31Å
73	Y	96.2	Very high	94.6	Very high	49 Å²	49	30.6 Å²	30.6	19%	0.192	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.4	168.4	-62	-99.9	0	0	0	108.9	V53 W54 Q56 N141 Y142 R143 M190	V53-Y73 WeakPolarHBondContact CA-O 3.43Å; W54-Y73 PolarHBondContact N-O 3.48Å; W54-Y73 PolarHBondContact O-N 3.38Å; Q56-Y73 HydrophobicContact CB-CD2 4.34Å; Q56-Y73 HydrophobicContact CB-CE2 3.95Å; Q56-Y73 HydrophobicContact CG-CE2 4.16Å; Q56-Y73 PolarHBondContact OE1-OH 2.92Å; Y73-N141 WeakPolarHBondContact CD1-OD1 3.35Å; Y73-Y142 CarbonylContact C-O 3.54Å; Y73-Y142 VanDerWaalsContact CA-O 3.23Å; Y73-Y142 WeakPolarHBondContact CA-O 3.45Å; Y73-R143 HydrophobicContact CD1-CB 3.83Å; Y73-R143 HydrophobicContact CD1-CG 3.95Å; Y73-R143 HydrophobicContact CE1-CB 3.65Å; Y73-R143 HydrophobicContact CE1-CG 3.49Å; Y73-R143 VanDerWaalsContact CE1-CG 3.49Å; Y73-R143 HydrophobicContact CE2-CG 4.28Å; Y73-R143 WeakPolarHBondContact OH-CD 3.3Å; Y73-M190 HydrophobicContact CD2-CE 4.44Å; Y73-M190 HydrophobicContact CD2-SD 3.48Å; Y73-M190 WeakPolarHBondContact CD2-SD 3.38Å; Y73-M190 HydrophobicContact CE2-CE 4.09Å; Y73-M190 HydrophobicContact CE2-SD 3.44Å; Y73-M190 WeakPolarHBondContact CE2-SD 3.48Å
74	V	96.4	Very high	94.7	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.7	174.8	-174.6	0	0	0	0	108.7	L51 V53 L72 E76 F112 N141 Y142 L144 F168	L51-V74 HydrophobicContact CD1-CG1 3.42Å; L51-V74 VanDerWaalsContact CD1-CG1 3.42Å; L51-V74 HydrophobicContact CG-CG1 4.41Å; V53-V74 HydrophobicContact CG2-CG2 4.49Å; L72-V74 HydrophobicContact CD1-CG2 3.2Å; V74-E76 HydrophobicContact CG1-CG 4.39Å; V74-F112 HydrophobicContact CG2-CE2 4.02Å; V74-F112 HydrophobicContact CG2-CZ 3.95Å; V74-N141 CarbonylContact O-C 3.58Å; V74-N141 VanDerWaalsContact O-CA 3.27Å; V74-N141 WeakPolarHBondContact O-CA 3.18Å; V74-Y142 PolarHBondContact N-O 3.04Å; V74-Y142 PolarHBondContact O-N 3.46Å; V74-L144 HydrophobicContact CB-CD1 4.43Å; V74-L144 HydrophobicContact CG2-CD1 3.66Å; V74-F168 HydrophobicContact CG1-CE1 4.44Å; V74-F168 HydrophobicContact CG1-CE2 4.35Å; V74-F168 HydrophobicContact CG1-CZ 3.98Å
75	T	96	Very high	94.7	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.043	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.2	171	-69.8	0	0	0	0	109.5	L51 E52 L77 T140 N141	L51-T75 WeakPolarHBondContact CA-O 3.34Å; E52-T75 HydrophobicContact CB-CG2 4.36Å; E52-T75 PolarHBondContact N-O 3.42Å; E52-T75 WeakPolarHBondContact O-CB 3.27Å; E52-T75 PolarHBondContact O-N 2.96Å; T75-L77 HydrophobicContact CG2-CD1 3.61Å; T75-T140 CarbonylContact C-O 3.58Å; T75-T140 VanDerWaalsContact CA-O 3.25Å; T75-T140 WeakPolarHBondContact CA-O 3.4Å; T75-N141 PolarHBondContact OG1-ND2 3.31Å
76	E	95.6	Very high	94.5	Very high	7 Å²	7	25.5 Å²	25.5	3%	0.033	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.7	167.4	-51.6	177	135.2	0	0	109	V49 E50 L51 V74 W78 S110 T140 Y142 F168	V49-E76 HydrophobicContact CG1-CB 4.08Å; E50-E76 WeakPolarHBondContact O-CA 3.5Å; L51-E76 HydrophobicContact CD1-CG 3.93Å; V74-E76 HydrophobicContact CG1-CG 4.39Å; E76-W78 HydrophobicContact CB-CE3 4.21Å; E76-W78 HydrophobicContact CB-CZ3 4.02Å; E76-S110 WeakPolarHBondContact OE1-CB 3.47Å; E76-S110 PolarHBondContact OE1-OG 3.1Å; E76-T140 WeakPolarHBondContact CB-OG1 3.37Å; E76-T140 PolarHBondContact N-O 3.37Å; E76-T140 PolarHBondContact O-N 2.88Å; E76-T140 PolarHBondContact O-OG1 2.8Å; E76-Y142 HydrophobicContact CG-CE2 4.5Å; E76-F168 WeakPolarHBondContact OE1-CE1 3.28Å
77	L	95.5	Very high	94.2	Very high	13 Å²	13	29.5 Å²	29.5	7%	0.068	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.7	172.8	-109.2	81.8	0	0	0	109.8	Y8 V49 E50 T75 T137 V138 W139	Y8-L77 HydrophobicContact CD1-CD2 3.76Å; Y8-L77 HydrophobicContact CE1-CD2 3.52Å; V49-L77 CarbonylContact C-O 3.57Å; V49-L77 WeakPolarHBondContact CA-O 3.47Å; E50-L77 HydrophobicContact CB-CB 4.22Å; E50-L77 PolarHBondContact N-O 3.26Å; E50-L77 PolarHBondContact O-N 3.33Å; T75-L77 HydrophobicContact CG2-CD1 3.61Å; L77-T137 HydrophobicContact CD2-CG2 4.12Å; L77-T137 HydrophobicContact CG-CG2 4.3Å; L77-V138 WeakPolarHBondContact CA-O 3.48Å; L77-W139 HydrophobicContact CD1-CB 3.73Å; L77-W139 VanDerWaalsContact CD1-CD1 3.46Å; L77-W139 HydrophobicContact CD1-CD2 4.01Å; L77-W139 HydrophobicContact CD1-CG 3.49Å; L77-W139 VanDerWaalsContact CD1-CG 3.49Å; L77-W139 HydrophobicContact CG-CB 4.25Å; L77-W139 HydrophobicContact CG-CG 4.49Å
78	W	95.8	Very high	93.8	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	158.2	170.3	69.2	96.5	0	0	0	111	S48 V49 E76 W106 T137 V138 T140	S48-W78 WeakPolarHBondContact O-CB 3.38Å; V49-W78 HydrophobicContact CG2-CB 4.15Å; E76-W78 HydrophobicContact CB-CE3 4.21Å; E76-W78 HydrophobicContact CB-CZ3 4.02Å; W78-W106 AromaticContact CD1-CZ3 3.94Å; W78-W106 HydrophobicContact CG-CZ3 4.31Å; W78-W106 WeakPolarHBondContact CZ2-O 3.39Å; W78-W106 AromaticContact NE1-CE3 3.8Å; W78-W106 AromaticContact NE1-CZ3 3.92Å; W78-T137 CarbonylContact O-C 3.53Å; W78-T137 WeakPolarHBondContact O-CA 3.24Å; W78-V138 HydrophobicContact CD2-CB 4.02Å; W78-V138 HydrophobicContact CE3-CB 4.41Å; W78-V138 HydrophobicContact CH2-CB 4.14Å; W78-V138 HydrophobicContact CH2-CG1 3.57Å; W78-V138 HydrophobicContact CZ2-CB 3.69Å; W78-V138 HydrophobicContact CZ2-CG1 3.45Å; W78-V138 VanDerWaalsContact CZ2-CG1 3.45Å; W78-V138 HydrophobicContact CZ2-CG2 4.2Å; W78-V138 HydrophobicContact CZ3-CB 4.46Å; W78-V138 HydrophobicContact CZ3-CG1 4.15Å; W78-V138 PolarHBondContact N-O 3.35Å; W78-V138 VanDerWaalsContact N-O 3.11Å; W78-V138 PolarHBondContact O-N 3.03Å; W78-T140 HydrophobicContact CH2-CG2 3.5Å; W78-T140 VanDerWaalsContact CH2-CG2 3.5Å; W78-T140 HydrophobicContact CZ3-CG2 3.77Å; W78-T140 WeakPolarHBondContact CZ3-OG1 3.35Å
79	L	95.6	Very high	93.3	Very high	88 Å²	88	35.8 Å²	35.8	46%	0.461	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.7	174.6	-179.9	65.5	0	0	0	110
80	D	95.6	Very high	92.8	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	19%	0.194	C	C	.	.			trans	-115.1	101.1	170.1	-169.6	-16.1	0	0	0	111.3	Y37 P43 A82 L83 G136 V138	Y37-D80 WeakPolarHBondContact CE2-OD2 3.34Å; Y37-D80 VanDerWaalsContact CZ-OD2 3.3Å; Y37-D80 PolarHBondContact OH-OD2 3.37Å; P43-D80 HydrophobicContact CB-CB 3.98Å; P43-D80 HydrophobicContact CG-CB 4.1Å; D80-A82 PolarHBondContact O-N 3.34Å; D80-A82 VanDerWaalsContact O-N 3.13Å; D80-A82 WeakPolarHBondContact OD1-CB 3.43Å; D80-A82 PolarHBondContact OD1-N 3.12Å; D80-L83 HydrophobicContact CB-CB 4.35Å; D80-L83 HydrophobicContact CB-CD1 4.02Å; D80-L83 HydrophobicContact CB-CG 4.2Å; D80-L83 PolarHBondContact O-N 2.86Å; D80-G136 WeakPolarHBondContact CA-O 3.13Å; D80-G136 PolarHBondContact N-O 3.33Å; D80-G136 WeakPolarHBondContact O-CA 3.08Å; D80-V138 HydrophobicContact CB-CG2 4.24Å
81	P	93.3	Very high	92.3	Very high	73 Å²	73	36.4 Å²	36.4	47%	0.474	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-58.1	-26.7	179.1	-25.3	34.8	0	0	0	114.3	L83 S84	P81-L83 PolarHBondContact O-N 3.45Å; P81-S84 WeakPolarHBondContact O-CB 3.42Å; P81-S84 PolarHBondContact O-N 2.86Å
82	A	92.6	Very high	91.9	Very high	53 Å²	53	40.7 Å²	40.7	44%	0.438	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-73.6	-16.8	179.6	0	0	0	0	0	112.7	Y37 D80	Y37-A82 HydrophobicContact CD2-CB 3.85Å; Y37-A82 HydrophobicContact CE2-CB 3.86Å; D80-A82 PolarHBondContact O-N 3.34Å; D80-A82 VanDerWaalsContact O-N 3.13Å; D80-A82 WeakPolarHBondContact OD1-CB 3.43Å; D80-A82 PolarHBondContact OD1-N 3.12Å
83	L	93	Very high	91.3	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-97.7	10.1	174.9	-61.6	176	0	0	0	112.7	L33 Y37 D80 P81 Y85 L105 V132 V138	L33-L83 HydrophobicContact CB-CD2 4.46Å; Y37-L83 HydrophobicContact CD2-CD2 3.76Å; Y37-L83 HydrophobicContact CD2-CG 4.23Å; Y37-L83 HydrophobicContact CE2-CD1 4.29Å; Y37-L83 HydrophobicContact CE2-CD2 3.77Å; Y37-L83 HydrophobicContact CE2-CG 3.77Å; Y37-L83 HydrophobicContact CG-CD2 4.46Å; D80-L83 HydrophobicContact CB-CB 4.35Å; D80-L83 HydrophobicContact CB-CD1 4.02Å; D80-L83 HydrophobicContact CB-CG 4.2Å; D80-L83 PolarHBondContact O-N 2.86Å; P81-L83 PolarHBondContact O-N 3.45Å; L83-Y85 VanDerWaalsContact O-CD1 3.3Å; L83-Y85 WeakPolarHBondContact O-CD1 3.44Å; L83-Y85 PolarHBondContact O-N 3.47Å; L83-L105 HydrophobicContact CD1-CD1 4.28Å; L83-L105 HydrophobicContact CD1-CD2 3.99Å; L83-L105 HydrophobicContact CD2-CD2 3.83Å; L83-V132 HydrophobicContact CB-CG1 4.11Å; L83-V138 HydrophobicContact CD1-CG2 3.54Å
84	S	92.8	Very high	91	Very high	28 Å²	28	43.8 Å²	43.8	20%	0.196	24%	0.243	C	C	.	.			trans	-73.4	118.5	175.5	-178.1	0	0	0	0	111.1	P81 S86 H87 P134	P81-S84 WeakPolarHBondContact O-CB 3.42Å; P81-S84 PolarHBondContact O-N 2.86Å; S84-S86 PolarHBondContact OG-OG 2.97Å; S84-H87 PolarHBondContact O-CE1 3.34Å; S84-H87 PolarHBondContact O-ND1 3.48Å; S84-P134 PolarHBondContact OG-O 3.21Å
85	Y	91.3	Very high	90.7	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	24%	0.243	C	C	.	.			trans	-119.7	9.1	-179.7	59.1	-93.3	0	0	0	113.6	V29 L33 L83 H87 M88 P90 Q93 M95 V132 Y133 P134	V29-Y85 HydrophobicContact CG1-CD1 4.3Å; V29-Y85 HydrophobicContact CG1-CD2 4.07Å; V29-Y85 HydrophobicContact CG1-CG 3.73Å; L33-Y85 HydrophobicContact CD1-CD1 4.04Å; L83-Y85 VanDerWaalsContact O-CD1 3.3Å; L83-Y85 WeakPolarHBondContact O-CD1 3.44Å; L83-Y85 PolarHBondContact O-N 3.47Å; Y85-H87 PolarHBondContact O-N 3.47Å; Y85-H87 VanDerWaalsContact O-N 3.07Å; Y85-M88 WeakPolarHBondContact O-CB 3.26Å; Y85-M88 PolarHBondContact O-N 3.19Å; Y85-P90 HydrophobicContact CD2-CB 3.77Å; Y85-P90 HydrophobicContact CD2-CG 3.69Å; Y85-P90 HydrophobicContact CE2-CB 3.85Å; Y85-P90 HydrophobicContact CE2-CG 3.77Å; Y85-Q93 PolarHBondContact OH-O 2.93Å; Y85-M95 HydrophobicContact CE2-CE 4.36Å; Y85-M95 PolarHBondContact OH-N 3.01Å; Y85-V132 HydrophobicContact CE1-CB 4.37Å; Y85-V132 HydrophobicContact CE1-CG1 3.92Å; Y85-V132 PolarHBondContact OH-O 3.15Å; Y85-Y133 WeakPolarHBondContact CE1-O 3.48Å; Y85-P134 HydrophobicContact CD2-CB 4.35Å; Y85-P134 HydrophobicContact CE2-CB 3.84Å; Y85-P134 PolarHBondContact N-O 3.02Å
86	S	88.4	Confident	90.5	Very high	67 Å²	67	47.7 Å²	47.7	47%	0.469	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-50.7	-32.7	175.7	51.6	0	0	0	0	113.9	S84 M88 P134	S84-S86 PolarHBondContact OG-OG 2.97Å; S86-M88 VanDerWaalsContact C-N 3.3Å; S86-M88 PolarHBondContact O-N 3.45Å; S86-P134 VanDerWaalsContact CB-O 3.29Å; S86-P134 WeakPolarHBondContact CB-O 3.48Å; S86-P134 PolarHBondContact N-O 3.27Å; S86-P134 PolarHBondContact OG-O 2.85Å
87	H	88.2	Confident	90.2	Very high	134 Å²	134	48.6 Å²	48.6	62%	0.62	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-76.9	-10.7	179.1	65.2	-85.6	0	0	0	114.2	S84 Y85	S84-H87 PolarHBondContact O-CE1 3.34Å; S84-H87 PolarHBondContact O-ND1 3.48Å; Y85-H87 PolarHBondContact O-N 3.47Å; Y85-H87 VanDerWaalsContact O-N 3.07Å
88	M	85.6	Confident	90	Very high	33 Å²	33	52.3 Å²	52.3	16%	0.163	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-93.7	7.4	-176.2	-57.2	-169.8	-170.1	0	0	113.7	L24 V29 L33 Y85 S86	L24-M88 WeakPolarHBondContact CD1-O 3.36Å; L24-M88 HydrophobicContact CD2-CB 4.46Å; V29-M88 HydrophobicContact CG1-SD 4.33Å; L33-M88 HydrophobicContact CD2-CE 3.9Å; L33-M88 HydrophobicContact CG-CE 4.47Å; Y85-M88 WeakPolarHBondContact O-CB 3.26Å; Y85-M88 PolarHBondContact O-N 3.19Å; S86-M88 VanDerWaalsContact C-N 3.3Å; S86-M88 PolarHBondContact O-N 3.45Å
89	N	85.5	Confident	89.6	Confident	118 Å²	118	53.5 Å²	53.5	63%	0.631	30%	0.302	S	S	*	.			trans	48.9	61.4	-176.1	-68.4	-27.4	0	0	0	113.2	C23 L24	C23-N89 WeakPolarHBondContact CA-O 3.39Å; L24-N89 PolarHBondContact N-O 3.33Å
90	P	85.9	Confident	89.4	Confident	17 Å²	17	55.1 Å²	55.1	11%	0.11	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-68	146	-178	33.3	-39.1	0	0	0	111.3	Y85 K92	Y85-P90 HydrophobicContact CD2-CB 3.77Å; Y85-P90 HydrophobicContact CD2-CG 3.69Å; Y85-P90 HydrophobicContact CE2-CB 3.85Å; Y85-P90 HydrophobicContact CE2-CG 3.77Å; P90-K92 WeakPolarHBondContact CB-O 3.49Å; P90-K92 WeakPolarHBondContact CG-O 3.43Å; P90-K92 PolarHBondContact O-N 3.12Å
91	C	84.6	Confident	89.2	Confident	42 Å²	42	56.6 Å²	56.6	28%	0.284	32%	0.315	S	S	.	.	S	Bend	trans	-66.1	-28.8	174.5	-62.2	0	0	0	0	112.5	C23 L24	C23-C91 HydrophobicContact CB-CB 3.86Å; C23-C91 WeakPolarHBondContact CB-SG 3.37Å; C23-C91 PolarHBondContact O-SG 3.18Å; C23-C91 VanDerWaalsContact SG-CA 3.54Å; C23-C91 WeakPolarHBondContact SG-CB 3.43Å; C23-C91 CovalentContact SG-SG 2.03Å; C23-C91 PolarHBondContact SG-SG 3.41Å; L24-C91 PolarHBondContact O-N 3.05Å; L24-C91 VanDerWaalsContact O-N 3.1Å; L24-C91 PolarHBondContact O-SG 2.96Å
92	K	85.4	Confident	89.1	Confident	112 Å²	112	54.1 Å²	54.1	49%	0.487	30%	0.297	S	S	.	.	S	Bend	trans	-117.5	143.2	177.3	-65.2	-177.6	-166.7	151.5	0	110.7	D26 P90	D26-K92 WeakPolarHBondContact OD2-CD 3.47Å; D26-K92 WeakPolarHBondContact OD2-CE 3.37Å; D26-K92 IonicContact OD2-NZ 3.84Å; D26-K92 PolarHBondContact OD2-NZ 3.06Å; P90-K92 WeakPolarHBondContact CB-O 3.49Å; P90-K92 WeakPolarHBondContact CG-O 3.43Å; P90-K92 PolarHBondContact O-N 3.12Å
93	Q	83.6	Confident	89	Confident	74 Å²	74	58.9 Å²	58.9	35%	0.346	31%	0.308	S	S	.	.	S	Bend	trans	-71.7	-41.6	175.8	-67.1	-60.8	-35	0	0	111.8	Y85 P134	Y85-Q93 PolarHBondContact OH-O 2.93Å; Q93-P134 WeakPolarHBondContact O-CD 3.04Å; Q93-P134 VanDerWaalsContact O-CG 3.26Å; Q93-P134 WeakPolarHBondContact O-CG 3.17Å
94	N	90.3	Very high	89	Confident	40 Å²	40	64.7 Å²	64.7	21%	0.214	33%	0.333	C	S	.	.	S	Bend	trans	-119.3	132.7	-178	-53.4	-18.1	0	0	0	109.2	L131 Y133	N94-L131 HydrophobicContact CB-CD1 4.09Å; N94-L131 HydrophobicContact CB-CD2 4.36Å; N94-L131 HydrophobicContact CB-CG 4.42Å; N94-Y133 VanDerWaalsContact OD1-CD1 3.27Å; N94-Y133 WeakPolarHBondContact OD1-CD1 3.16Å
95	M	89.3	Confident	89	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.015	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.3	-176.9	-163.4	179.8	-53.5	0	0	110.3	D26 V29 I30 Y85 L97 L131 V132	D26-M95 HydrophobicContact CB-CE 4Å; D26-M95 HydrophobicContact CB-CG 4.11Å; D26-M95 HydrophobicContact CB-SD 3.81Å; V29-M95 HydrophobicContact CB-CE 3.91Å; V29-M95 HydrophobicContact CG1-CE 3.79Å; I30-M95 HydrophobicContact CD1-SD 3.64Å; I30-M95 HydrophobicContact CG1-CE 4.33Å; I30-M95 HydrophobicContact CG1-SD 3.27Å; I30-M95 WeakPolarHBondContact CG1-SD 3.48Å; Y85-M95 HydrophobicContact CE2-CE 4.36Å; Y85-M95 PolarHBondContact OH-N 3.01Å; M95-L97 HydrophobicContact CG-CD2 3.78Å; M95-L97 HydrophobicContact CG-CG 4.41Å; M95-L97 HydrophobicContact SD-CD2 3.7Å; M95-L131 WeakPolarHBondContact O-CA 3.24Å; M95-L131 WeakPolarHBondContact O-CD1 3.36Å; M95-V132 PolarHBondContact N-O 3.36Å; M95-V132 PolarHBondContact O-N 3.4Å
96	S	92	Very high	89.2	Confident	87 Å²	87	63.9 Å²	63.9	61%	0.608	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.6	171	47.3	0	0	0	0	108.9
97	L	90.4	Very high	89.5	Confident	26 Å²	26	62.1 Å²	62.1	14%	0.136	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	153.5	-172.9	-63.3	178.4	0	0	0	110.4	I30 M95 I101 L130 V132	I30-L97 HydrophobicContact CD1-CD1 3.62Å; I30-L97 HydrophobicContact CD1-CD2 3.68Å; I30-L97 HydrophobicContact CD1-CG 4.28Å; I30-L97 HydrophobicContact CG1-CD2 3.71Å; M95-L97 HydrophobicContact CG-CD2 3.78Å; M95-L97 HydrophobicContact CG-CG 4.41Å; M95-L97 HydrophobicContact SD-CD2 3.7Å; L97-I101 HydrophobicContact CB-CD1 4.06Å; L97-I101 HydrophobicContact CD1-CG2 4.18Å; L97-I101 HydrophobicContact CD2-CD1 3.91Å; L97-I101 HydrophobicContact CG-CD1 4.39Å; L97-L130 HydrophobicContact CB-CB 4.4Å; L97-L130 HydrophobicContact CB-CD2 3.76Å; L97-L130 HydrophobicContact CB-CG 3.96Å; L97-L130 HydrophobicContact CD1-CD2 4.06Å; L97-L130 HydrophobicContact CD1-CG 4.35Å; L97-L130 PolarHBondContact N-O 3.14Å; L97-V132 HydrophobicContact CD1-CG2 3.66Å
98	N	90.5	Very high	89.8	Confident	90 Å²	90	55.8 Å²	55.8	48%	0.481	28%	0.284	S	S	.	.			trans	-70.3	150.3	172.2	-163.2	11	0	0	0	110.6	E100 I101	N98-E100 PolarHBondContact O-N 2.85Å; N98-E100 VanDerWaalsContact O-N 3.16Å; N98-I101 PolarHBondContact O-N 2.93Å; N98-I101 VanDerWaalsContact O-N 3.11Å
99	N	88.4	Confident	90.1	Very high	29 Å²	29	57 Å²	57	16%	0.155	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-60.2	-25.7	-179.7	70.5	-31.9	0	0	0	113.3	I101 L102 I128	N99-I101 PolarHBondContact O-N 3.04Å; N99-L102 WeakPolarHBondContact O-CB 3.35Å; N99-L102 PolarHBondContact O-N 2.62Å; N99-L102 VanDerWaalsContact O-N 3.13Å; N99-I128 HydrophobicContact CB-CB 3.95Å; N99-I128 HydrophobicContact CB-CD1 4.43Å; N99-I128 HydrophobicContact CB-CG2 4.34Å
100	E	89.9	Confident	90.5	Very high	123 Å²	123	52.7 Å²	52.7	58%	0.575	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-60.1	-31.7	176.7	-64.2	-177.5	163.3	0	0	112.8	N98 L102 K103	N98-E100 PolarHBondContact O-N 2.85Å; N98-E100 VanDerWaalsContact O-N 3.16Å; E100-L102 PolarHBondContact O-N 3.04Å; E100-K103 PolarHBondContact O-N 3.29Å
101	I	92	Very high	90.9	Very high	35 Å²	35	53.9 Å²	53.9	18%	0.179	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-68.7	-28.7	179.7	-64.2	170.9	0	0	0	110.9	I30 L34 L97 N98 N99 K103 F104 L105 L130	I30-I101 HydrophobicContact CG2-CD1 4.3Å; L34-I101 HydrophobicContact CD1-CG2 4.41Å; L97-I101 HydrophobicContact CB-CD1 4.06Å; L97-I101 HydrophobicContact CD1-CG2 4.18Å; L97-I101 HydrophobicContact CD2-CD1 3.91Å; L97-I101 HydrophobicContact CG-CD1 4.39Å; N98-I101 PolarHBondContact O-N 2.93Å; N98-I101 VanDerWaalsContact O-N 3.11Å; N99-I101 PolarHBondContact O-N 3.04Å; I101-K103 PolarHBondContact O-N 2.8Å; I101-K103 VanDerWaalsContact O-N 3.11Å; I101-F104 PolarHBondContact O-N 3.48Å; I101-L105 HydrophobicContact CG2-CD1 4.34Å; I101-L105 HydrophobicContact CG2-CG 4.33Å; I101-L105 PolarHBondContact O-N 3.36Å; I101-L130 HydrophobicContact CB-CD2 4.47Å
102	L	91.5	Very high	91.5	Very high	20 Å²	20	52.6 Å²	52.6	11%	0.105	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-57.2	-30.9	-179.1	-170.8	63.2	0	0	0	112.6	N99 E100 F104 L105 T107 I128 L130 T140 Y142	N99-L102 WeakPolarHBondContact O-CB 3.35Å; N99-L102 PolarHBondContact O-N 2.62Å; N99-L102 VanDerWaalsContact O-N 3.13Å; E100-L102 PolarHBondContact O-N 3.04Å; L102-F104 PolarHBondContact O-N 3.46Å; L102-L105 PolarHBondContact O-N 3.1Å; L102-L105 VanDerWaalsContact O-N 3.14Å; L102-T107 HydrophobicContact CD1-CG2 3.73Å; L102-T107 HydrophobicContact CG-CG2 4.11Å; L102-I128 HydrophobicContact CD2-CG2 3.86Å; L102-L130 HydrophobicContact CB-CD2 4.26Å; L102-L130 HydrophobicContact CD1-CD1 4.23Å; L102-L130 HydrophobicContact CD1-CD2 4.35Å; L102-T140 HydrophobicContact CD1-CG2 3.92Å; L102-Y142 HydrophobicContact CD2-CE1 4.02Å
103	K	90.7	Very high	91.9	Very high	154 Å²	154	50.7 Å²	50.7	67%	0.67	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-65.8	-19.9	178.2	-61.6	178.7	-177.4	174.6	0	113.8	R39 E100 I101	R39-K103 PolarHBondContact NH1-O 3.08Å; E100-K103 PolarHBondContact O-N 3.29Å; I101-K103 PolarHBondContact O-N 2.8Å; I101-K103 VanDerWaalsContact O-N 3.11Å
104	F	92.7	Very high	92.5	Very high	125 Å²	125	48.8 Å²	48.8	55%	0.548	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-98.2	-11.9	178.2	-56.4	-75.7	0	0	0	112.7	L34 Y37 R39 I101 L102	L34-F104 HydrophobicContact CD2-CB 4.05Å; Y37-F104 WeakPolarHBondContact CD1-O 3.42Å; R39-F104 WeakPolarHBondContact CB-O 3.37Å; I101-F104 PolarHBondContact O-N 3.48Å; L102-F104 PolarHBondContact O-N 3.46Å
105	L	93.9	Very high	92.7	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.047	26%	0.255	C	S	.	.	S	Bend	trans	-91.6	157	176.8	-59	-176.7	0	0	0	110.7	L34 Y37 L83 I101 L102 L130	L34-L105 HydrophobicContact CD2-CD2 3.88Å; Y37-L105 HydrophobicContact CD1-CD2 4.37Å; Y37-L105 HydrophobicContact CE1-CD2 4.14Å; L83-L105 HydrophobicContact CD1-CD1 4.28Å; L83-L105 HydrophobicContact CD1-CD2 3.99Å; L83-L105 HydrophobicContact CD2-CD2 3.83Å; I101-L105 HydrophobicContact CG2-CD1 4.34Å; I101-L105 HydrophobicContact CG2-CG 4.33Å; I101-L105 PolarHBondContact O-N 3.36Å; L102-L105 PolarHBondContact O-N 3.1Å; L102-L105 VanDerWaalsContact O-N 3.14Å; L105-L130 HydrophobicContact CD1-CD1 4.37Å; L105-L130 HydrophobicContact CD1-CD2 3.98Å
106	W	95.4	Very high	92.9	Very high	3 Å²	3	54 Å²	54	1%	0.011	28%	0.279	C	S	.	.			trans	-72	138.3	167.3	177.8	90.6	0	0	0	109	Y37 R39 V42 P43 A47 W78 P108 Y173 V178	Y37-W106 VanDerWaalsContact OH-CB 3.26Å; Y37-W106 WeakPolarHBondContact OH-CB 3.45Å; Y37-W106 PolarHBondContact OH-N 2.77Å; R39-W106 VanDerWaalsContact O-CD1 3.27Å; V42-W106 HydrophobicContact CG1-CZ2 4.2Å; V42-W106 HydrophobicContact CG2-CZ2 4.41Å; P43-W106 VanDerWaalsContact CD-CE3 3.44Å; P43-W106 HydrophobicContact CG-CD2 3.89Å; P43-W106 HydrophobicContact CG-CE3 3.54Å; P43-W106 HydrophobicContact CG-CG 4.33Å; P43-W106 HydrophobicContact CG-CZ3 4.02Å; A47-W106 HydrophobicContact CB-CH2 3.69Å; A47-W106 HydrophobicContact CB-CZ2 4.47Å; A47-W106 HydrophobicContact CB-CZ3 4.08Å; W78-W106 AromaticContact CD1-CZ3 3.94Å; W78-W106 HydrophobicContact CG-CZ3 4.31Å; W78-W106 WeakPolarHBondContact CZ2-O 3.39Å; W78-W106 AromaticContact NE1-CE3 3.8Å; W78-W106 AromaticContact NE1-CZ3 3.92Å; W106-P108 HydrophobicContact CH2-CB 3.9Å; W106-P108 HydrophobicContact CZ3-CB 4.26Å; W106-Y173 AromaticContact CE2-CE2 3.93Å; W106-Y173 HydrophobicContact CZ2-CD2 4.06Å; W106-Y173 AromaticContact CZ2-CE2 3.71Å; W106-Y173 HydrophobicContact CZ2-CE2 3.71Å; W106-Y173 AromaticContact NE1-CE2 3.69Å; W106-Y173 AromaticContact NE1-CZ 3.41Å; W106-Y173 PolarHBondContact NE1-OH 2.91Å; W106-V178 HydrophobicContact CH2-CG2 3.86Å; W106-V178 HydrophobicContact CZ2-CG2 3.76Å
107	T	93.9	Very high	93	Very high	31 Å²	31	52 Å²	52	19%	0.19	27%	0.266	C	S	.	.			trans	-126.2	149.9	173.2	52.1	0	0	0	0	109.5	L102 N109	L102-T107 HydrophobicContact CD1-CG2 3.73Å; L102-T107 HydrophobicContact CG-CG2 4.11Å; T107-N109 PolarHBondContact O-N 3.48Å; T107-N109 PolarHBondContact O-OD1 2.99Å; T107-N109 PolarHBondContact OG1-OD1 3.02Å; T107-N109 VanDerWaalsContact OG1-OD1 3.09Å
108	P	94	Very high	93.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.281	C	S	.	.			trans	-66	-4.6	179.6	27.1	-35.2	0	0	0	114.5	V49 W106 S110 Y173 V178 M180	V49-P108 HydrophobicContact CG1-CG 4.35Å; V49-P108 HydrophobicContact CG2-CB 3.89Å; V49-P108 HydrophobicContact CG2-CG 4.29Å; W106-P108 HydrophobicContact CH2-CB 3.9Å; W106-P108 HydrophobicContact CZ3-CB 4.26Å; P108-S110 VanDerWaalsContact C-N 3.28Å; P108-S110 WeakPolarHBondContact CG-OG 3.41Å; P108-S110 PolarHBondContact O-N 3.38Å; P108-Y173 WeakPolarHBondContact O-CD2 3.47Å; P108-V178 HydrophobicContact CB-CG1 4.46Å; P108-M180 HydrophobicContact CB-CE 4.25Å
109	N	92.9	Very high	93.4	Very high	60 Å²	60	55.2 Å²	55.2	32%	0.321	29%	0.286	S	S	.	.			trans	53.3	45.4	179.8	-61.8	-32.6	0	0	0	112.1	T107 F171 Y173	T107-N109 PolarHBondContact O-N 3.48Å; T107-N109 PolarHBondContact O-OD1 2.99Å; T107-N109 PolarHBondContact OG1-OD1 3.02Å; T107-N109 VanDerWaalsContact OG1-OD1 3.09Å; N109-F171 VanDerWaalsContact O-CB 3.31Å; N109-F171 WeakPolarHBondContact O-CB 3.49Å; N109-F171 PolarHBondContact O-N 2.86Å; N109-Y173 HydrophobicContact CB-CE2 4.4Å
110	S	93.5	Very high	93.8	Very high	27 Å²	27	57.4 Å²	57.4	19%	0.189	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	147.3	-178.3	-33.6	0	0	0	0	111.9	E76 P108 E169 M180	E76-S110 WeakPolarHBondContact OE1-CB 3.47Å; E76-S110 PolarHBondContact OE1-OG 3.1Å; P108-S110 VanDerWaalsContact C-N 3.28Å; P108-S110 WeakPolarHBondContact CG-OG 3.41Å; P108-S110 PolarHBondContact O-N 3.38Å; S110-E169 CarbonylContact C-O 3.55Å; S110-E169 VanDerWaalsContact CA-O 3.26Å; S110-E169 WeakPolarHBondContact CA-O 3.43Å; S110-M180 WeakPolarHBondContact OG-CE 3.44Å
111	C	94.7	Very high	94	Very high	42 Å²	42	53.7 Å²	53.7	28%	0.284	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	164.4	177.5	71.2	0	0	0	0	112.5	I113 F168 E169	C111-I113 PolarHBondContact O-N 2.92Å; C111-F168 WeakPolarHBondContact O-CA 3.36Å; C111-E169 PolarHBondContact N-O 3.46Å; C111-E169 PolarHBondContact O-N 2.97Å
112	F	96.2	Very high	94	Very high	14 Å²	14	59 Å²	59	6%	0.061	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	99.4	170	-72.1	-82.8	0	0	0	110.8	L72 V74 N114 S115 L144 L146 L166 T167 F168 M223	L72-F112 HydrophobicContact CD1-CZ 4.31Å; L72-F112 HydrophobicContact CD2-CZ 4.38Å; V74-F112 HydrophobicContact CG2-CE2 4.02Å; V74-F112 HydrophobicContact CG2-CZ 3.95Å; F112-N114 VanDerWaalsContact C-N 3.25Å; F112-N114 PolarHBondContact O-N 3.33Å; F112-S115 PolarHBondContact O-N 2.95Å; F112-S115 PolarHBondContact O-OG 2.62Å; F112-L144 HydrophobicContact CD2-CD1 4.44Å; F112-L144 HydrophobicContact CE2-CD1 3.76Å; F112-L146 HydrophobicContact CD1-CD1 4.1Å; F112-L146 HydrophobicContact CD2-CD1 3.53Å; F112-L146 HydrophobicContact CD2-CD2 3.83Å; F112-L146 HydrophobicContact CD2-CG 4.36Å; F112-L146 HydrophobicContact CE1-CD1 3.91Å; F112-L146 HydrophobicContact CE2-CD1 3.34Å; F112-L146 HydrophobicContact CE2-CD2 4.17Å; F112-L146 HydrophobicContact CE2-CG 4.38Å; F112-L146 HydrophobicContact CG-CD1 3.91Å; F112-L146 HydrophobicContact CZ-CD1 3.54Å; F112-L166 HydrophobicContact CD1-CB 4.01Å; F112-L166 HydrophobicContact CD1-CD2 4.37Å; F112-L166 HydrophobicContact CE1-CB 4.15Å; F112-T167 CarbonylContact C-O 3.57Å; F112-T167 VanDerWaalsContact CA-O 3.26Å; F112-T167 WeakPolarHBondContact CA-O 3.12Å; F112-F168 HydrophobicContact CD1-CB 4.29Å; F112-F168 AromaticContact CD1-CD2 3.81Å; F112-F168 HydrophobicContact CD1-CD2 3.81Å; F112-F168 AromaticContact CD2-CD2 3.69Å; F112-F168 HydrophobicContact CD2-CD2 3.69Å; F112-F168 AromaticContact CD2-CE2 3.88Å; F112-F168 HydrophobicContact CD2-CE2 3.88Å; F112-F168 HydrophobicContact CE1-CB 4.09Å; F112-F168 AromaticContact CE1-CD2 3.62Å; F112-F168 HydrophobicContact CE1-CD2 3.62Å; F112-F168 HydrophobicContact CE1-CE2 4.5Å; F112-F168 HydrophobicContact CE1-CG 4.3Å; F112-F168 AromaticContact CE2-CD2 3.47Å; F112-F168 HydrophobicContact CE2-CD2 3.47Å; F112-F168 VanDerWaalsContact CE2-CD2 3.47Å; F112-F168 AromaticContact CE2-CE2 3.54Å; F112-F168 HydrophobicContact CE2-CE2 3.54Å; F112-F168 AromaticContact CG-CD2 3.85Å; F112-F168 HydrophobicContact CG-CD2 3.85Å; F112-F168 HydrophobicContact CG-CE2 4.47Å; F112-F168 AromaticContact CZ-CD2 3.45Å; F112-F168 HydrophobicContact CZ-CD2 3.45Å; F112-F168 VanDerWaalsContact CZ-CD2 3.45Å; F112-F168 AromaticContact CZ-CE2 3.9Å; F112-F168 HydrophobicContact CZ-CE2 3.9Å; F112-F168 HydrophobicContact CZ-CG 4.37Å; F112-M223 HydrophobicContact CE1-CE 3.73Å; F112-M223 HydrophobicContact CZ-CE 4.24Å
113	I	94.9	Very high	93.7	Very high	72 Å²	72	62.6 Å²	62.6	37%	0.369	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.6	-170.7	58	160.6	0	0	0	114.1	C111 T167 E169	C111-I113 PolarHBondContact O-N 2.92Å; I113-T167 HydrophobicContact CD1-CG2 3.66Å; I113-T167 HydrophobicContact CG1-CG2 3.83Å; I113-T167 PolarHBondContact N-O 3.3Å; I113-E169 HydrophobicContact CG2-CB 3.91Å
114	N	95.3	Very high	93.7	Very high	35 Å²	35	61.2 Å²	61.2	19%	0.187	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	1.5	-176	72.5	-26.6	0	0	0	112.7	F112 P149 H165 L166 T167	F112-N114 VanDerWaalsContact C-N 3.25Å; F112-N114 PolarHBondContact O-N 3.33Å; N114-P149 HydrophobicContact CB-CG 4.2Å; N114-P149 WeakPolarHBondContact O-CD 3.46Å; N114-P149 WeakPolarHBondContact O-CG 3.49Å; N114-H165 PolarHBondContact ND2-CD2 3.03Å; N114-H165 VanDerWaalsContact ND2-CD2 3.27Å; N114-H165 PolarHBondContact ND2-O 2.91Å; N114-L166 WeakPolarHBondContact OD1-CA 3.28Å; N114-T167 PolarHBondContact OD1-N 3.37Å
115	S	94.9	Very high	93.6	Very high	33 Å²	33	61.4 Å²	61.4	23%	0.231	34%	0.338	C	S	.	.			trans	-67.6	139.8	177.1	65.4	0	0	0	0	111.3	F112 T147	F112-S115 PolarHBondContact O-N 2.95Å; F112-S115 PolarHBondContact O-OG 2.62Å; S115-T147 CarbonylContact C-O 3.53Å; S115-T147 WeakPolarHBondContact CA-O 3.48Å
116	K	92.5	Very high	93.5	Very high	118 Å²	118	62.7 Å²	62.7	51%	0.513	35%	0.347	S	S	.	.	S	Bend	trans	-80.2	-37	171.6	-64.7	-173.4	-174.7	177.7	0	111.5	T65 D67 T147	T65-K116 PolarHBondContact O-NZ 3.22Å; D67-K116 HydrophobicContact CB-CD 4.21Å; D67-K116 IonicContact OD2-NZ 3.69Å; D67-K116 PolarHBondContact OD2-NZ 2.92Å; K116-T147 HydrophobicContact CB-CG2 4.16Å; K116-T147 HydrophobicContact CD-CG2 4.36Å; K116-T147 PolarHBondContact N-O 3.32Å
117	S	94.4	Very high	93.4	Very high	47 Å²	47	64.3 Å²	64.3	33%	0.329	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	146.8	174	-170	0	0	0	0	109.1	L146 T147	S117-L146 WeakPolarHBondContact O-CA 3.05Å; S117-T147 PolarHBondContact O-N 3.38Å
118	A	95.5	Very high	93.5	Very high	55 Å²	55	64.4 Å²	64.4	46%	0.455	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	116.9	177.8	0	0	0	0	0	109.3	L146	A118-L146 HydrophobicContact CB-CD2 3.3Å
119	E	95.3	Very high	93.5	Very high	127 Å²	127	68.1 Å²	68.1	59%	0.593	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.8	-176.5	-66.4	179.8	-170.1	0	0	110.2	L144 T145	E119-L144 CarbonylContact O-C 3.59Å; E119-L144 VanDerWaalsContact O-CA 3.32Å; E119-L144 WeakPolarHBondContact O-CA 3.33Å; E119-T145 PolarHBondContact N-O 3.24Å; E119-T145 PolarHBondContact O-N 3.04Å
120	I	95.3	Very high	93.5	Very high	76 Å²	76	65.2 Å²	65.2	39%	0.39	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131.3	170.6	-63.5	161.7	0	0	0	107.4	I128 L144	I120-I128 HydrophobicContact CD1-CD1 4.44Å; I120-I128 HydrophobicContact CG2-CG1 4.17Å; I120-L144 HydrophobicContact CB-CD2 4.15Å; I120-L144 HydrophobicContact CG1-CD2 3.33Å
121	H	93.6	Very high	93.6	Very high	44 Å²	44	64.8 Å²	64.8	20%	0.204	35%	0.351	C	S	.	.			trans	-65.4	141.4	175.3	-75.9	-91	0	0	0	111.6	D71 N127 R143 T145	D71-H121 IonicContact OD1-NE2 3.84Å; H121-N127 HydrophobicContact CB-CB 4.25Å; H121-N127 WeakPolarHBondContact O-CB 3.4Å; H121-N127 PolarHBondContact O-N 3.29Å; H121-N127 PolarHBondContact O-OD1 3.38Å; H121-N127 VanDerWaalsContact O-OD1 3.11Å; H121-R143 HydrophobicContact CB-CG 4.41Å; H121-R143 PolarHBondContact CD2-NE 3Å; H121-R143 PolarHBondContact N-O 3.31Å; H121-T145 PolarHBondContact CE1-OG1 2.9Å; H121-T145 PolarHBondContact NE2-OG1 2.96Å
122	E	92.2	Very high	93.5	Very high	148 Å²	148	63 Å²	63	69%	0.692	34%	0.339	S	S	*	.	B	Isolated β-bridge	trans	-125.2	111.3	172.1	-58.6	-174.2	163.7	0	0	109.2	P126	E122-P126 HydrophobicContact CG-CB 4.39Å; E122-P126 HydrophobicContact CG-CG 4.31Å
123	S	85.3	Confident	93.4	Very high	94 Å²	94	62.4 Å²	62.4	66%	0.657	34%	0.336	S	S	*	.	S	Bend	trans	-168.8	113.6	166.1	-162.8	0	0	0	0	112	F125 N127	S123-F125 VanDerWaalsContact C-N 3.28Å; S123-F125 PolarHBondContact N-O 3.07Å; S123-N127 PolarHBondContact N-OD1 3.39Å
124	P	90.8	Very high	93.3	Very high	125 Å²	125	59.8 Å²	59.8	81%	0.812	32%	0.324	S	S	*	.	S	Bend	cis	-79.3	-2.4	-15.9	31.9	-32	0	0	0	113.7
125	F	90.6	Very high	93.1	Very high	129 Å²	129	61 Å²	61	57%	0.566	33%	0.33	S	S	*	.	S	Bend	trans	-127.7	163.2	176.5	50	-94.8	0	0	0	109.1	S123 N127	S123-F125 VanDerWaalsContact C-N 3.28Å; S123-F125 PolarHBondContact N-O 3.07Å; F125-N127 PolarHBondContact O-N 3.44Å; F125-N127 PolarHBondContact O-OD1 2.93Å
126	P	93.2	Very high	93	Very high	37 Å²	37	59.4 Å²	59.4	24%	0.24	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-58.7	126.6	175.3	-23.4	33.9	0	0	0	111.1	E122 I128	E122-P126 HydrophobicContact CG-CB 4.39Å; E122-P126 HydrophobicContact CG-CG 4.31Å; P126-I128 HydrophobicContact CB-CD1 4.22Å; P126-I128 HydrophobicContact CB-CG1 4.27Å; P126-I128 PolarHBondContact O-N 3.13Å
127	N	93.3	Very high	93.1	Very high	37 Å²	37	54.4 Å²	54.4	20%	0.198	30%	0.299	C	S	.	.			trans	-76.3	68.5	-174.4	-69.9	51.7	0	0	0	111.2	H121 S123 F125 R143	H121-N127 HydrophobicContact CB-CB 4.25Å; H121-N127 WeakPolarHBondContact O-CB 3.4Å; H121-N127 PolarHBondContact O-N 3.29Å; H121-N127 PolarHBondContact O-OD1 3.38Å; H121-N127 VanDerWaalsContact O-OD1 3.11Å; S123-N127 PolarHBondContact N-OD1 3.39Å; F125-N127 PolarHBondContact O-N 3.44Å; F125-N127 PolarHBondContact O-OD1 2.93Å; N127-R143 HydrophobicContact CB-CB 3.71Å; N127-R143 PolarHBondContact O-N 3.48Å; N127-R143 VanDerWaalsContact O-N 3.11Å
128	I	94.7	Very high	93.2	Very high	33 Å²	33	52.1 Å²	52.1	17%	0.169	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	116.8	179.4	-52.8	177.9	0	0	0	107.3	N99 L102 I120 P126 N141 Y142	N99-I128 HydrophobicContact CB-CB 3.95Å; N99-I128 HydrophobicContact CB-CD1 4.43Å; N99-I128 HydrophobicContact CB-CG2 4.34Å; L102-I128 HydrophobicContact CD2-CG2 3.86Å; I120-I128 HydrophobicContact CD1-CD1 4.44Å; I120-I128 HydrophobicContact CG2-CG1 4.17Å; P126-I128 HydrophobicContact CB-CD1 4.22Å; P126-I128 HydrophobicContact CB-CG1 4.27Å; P126-I128 PolarHBondContact O-N 3.13Å; I128-N141 WeakPolarHBondContact CA-O 3.05Å; I128-Y142 HydrophobicContact CB-CD1 4.47Å; I128-Y142 HydrophobicContact CD1-CD1 4.36Å; I128-Y142 HydrophobicContact CD1-CE1 4.37Å; I128-Y142 HydrophobicContact CG1-CD1 4Å; I128-Y142 HydrophobicContact CG1-CE1 4.38Å; I128-Y142 HydrophobicContact CG2-CD1 3.95Å; I128-Y142 HydrophobicContact CG2-CE1 3.77Å
129	F	93.6	Very high	93.1	Very high	77 Å²	77	51.2 Å²	51.2	34%	0.338	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.5	172.7	173.3	-98.4	0	0	0	109.1	L131 W139 T140 N141	F129-L131 HydrophobicContact CE1-CB 3.68Å; F129-L131 HydrophobicContact CZ-CB 3.76Å; F129-L131 HydrophobicContact CZ-CD1 4.21Å; F129-L131 HydrophobicContact CZ-CD2 4.39Å; F129-L131 HydrophobicContact CZ-CG 4.36Å; F129-W139 HydrophobicContact CE1-CD2 4.11Å; F129-W139 HydrophobicContact CE1-CE3 4.36Å; F129-W139 HydrophobicContact CE1-CG 4.43Å; F129-T140 CarbonylContact O-C 3.56Å; F129-T140 VanDerWaalsContact O-CA 3.28Å; F129-T140 WeakPolarHBondContact O-CA 3.39Å; F129-N141 HydrophobicContact CB-CB 4.13Å; F129-N141 HydrophobicContact CD1-CB 4.23Å; F129-N141 PolarHBondContact N-O 3.1Å; F129-N141 PolarHBondContact O-N 3.35Å
130	L	94.7	Very high	93.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.9	177.1	174.2	62.2	0	0	0	109.1	L97 I101 L102 L105 V138 T140	L97-L130 HydrophobicContact CB-CB 4.4Å; L97-L130 HydrophobicContact CB-CD2 3.76Å; L97-L130 HydrophobicContact CB-CG 3.96Å; L97-L130 HydrophobicContact CD1-CD2 4.06Å; L97-L130 HydrophobicContact CD1-CG 4.35Å; L97-L130 PolarHBondContact N-O 3.14Å; I101-L130 HydrophobicContact CB-CD2 4.47Å; L102-L130 HydrophobicContact CB-CD2 4.26Å; L102-L130 HydrophobicContact CD1-CD1 4.23Å; L102-L130 HydrophobicContact CD1-CD2 4.35Å; L105-L130 HydrophobicContact CD1-CD1 4.37Å; L105-L130 HydrophobicContact CD1-CD2 3.98Å; L130-V138 HydrophobicContact CD1-CG1 3.63Å; L130-T140 HydrophobicContact CD1-CG2 3.86Å
131	L	94	Very high	93.1	Very high	18 Å²	18	42.9 Å²	42.9	9%	0.094	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.2	175.7	-171.4	82.8	0	0	0	109.5	N94 M95 F129 Y133 W139	N94-L131 HydrophobicContact CB-CD1 4.09Å; N94-L131 HydrophobicContact CB-CD2 4.36Å; N94-L131 HydrophobicContact CB-CG 4.42Å; M95-L131 WeakPolarHBondContact O-CA 3.24Å; M95-L131 WeakPolarHBondContact O-CD1 3.36Å; F129-L131 HydrophobicContact CE1-CB 3.68Å; F129-L131 HydrophobicContact CZ-CB 3.76Å; F129-L131 HydrophobicContact CZ-CD1 4.21Å; F129-L131 HydrophobicContact CZ-CD2 4.39Å; F129-L131 HydrophobicContact CZ-CG 4.36Å; L131-Y133 HydrophobicContact CD2-CE1 4.07Å; L131-Y133 HydrophobicContact CD2-CE2 3.91Å; L131-W139 HydrophobicContact CB-CB 4.31Å; L131-W139 HydrophobicContact CD2-CE3 3.85Å; L131-W139 HydrophobicContact CD2-CZ3 4.45Å; L131-W139 PolarHBondContact N-O 3.29Å; L131-W139 PolarHBondContact O-N 2.9Å
132	V	94.1	Very high	93.2	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.3	174.2	-171	0	0	0	0	108.9	L83 Y85 M95 L97 V138	L83-V132 HydrophobicContact CB-CG1 4.11Å; Y85-V132 HydrophobicContact CE1-CB 4.37Å; Y85-V132 HydrophobicContact CE1-CG1 3.92Å; Y85-V132 PolarHBondContact OH-O 3.15Å; M95-V132 PolarHBondContact N-O 3.36Å; M95-V132 PolarHBondContact O-N 3.4Å; L97-V132 HydrophobicContact CD1-CG2 3.66Å; V132-V138 HydrophobicContact CG2-CG2 4.49Å
133	Y	93.8	Very high	93.4	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.008	20%	0.203	C	C	.	.			trans	-81.5	158.6	175.8	-72.5	-79.5	0	0	0	111.2	F12 Y85 N94 L131 N135 G136 T137 W139	F12-Y133 HydrophobicContact CB-CD1 3.78Å; F12-Y133 HydrophobicContact CB-CE1 3.71Å; F12-Y133 HydrophobicContact CG-CD1 4.36Å; F12-Y133 HydrophobicContact CG-CE1 4.36Å; Y85-Y133 WeakPolarHBondContact CE1-O 3.48Å; N94-Y133 VanDerWaalsContact OD1-CD1 3.27Å; N94-Y133 WeakPolarHBondContact OD1-CD1 3.16Å; L131-Y133 HydrophobicContact CD2-CE1 4.07Å; L131-Y133 HydrophobicContact CD2-CE2 3.91Å; Y133-N135 WeakPolarHBondContact CB-OD1 3.49Å; Y133-N135 PolarHBondContact O-N 3.31Å; Y133-N135 VanDerWaalsContact O-N 3.16Å; Y133-G136 PolarHBondContact O-N 3.03Å; Y133-T137 WeakPolarHBondContact CB-O 3.28Å; Y133-T137 HydrophobicContact CD2-CG2 3.98Å; Y133-T137 WeakPolarHBondContact CD2-O 3.48Å; Y133-T137 PolarHBondContact N-O 3.32Å; Y133-W139 HydrophobicContact CE2-CB 4.17Å; Y133-W139 AromaticContact CE2-CE3 3.98Å; Y133-W139 HydrophobicContact CE2-CE3 3.98Å; Y133-W139 AromaticContact CZ-CE3 3.98Å; Y133-W139 VanDerWaalsContact OH-CZ3 3.31Å; Y133-W139 WeakPolarHBondContact OH-CZ3 3.27Å
134	P	92	Very high	93.9	Very high	18 Å²	18	34.7 Å²	34.7	12%	0.117	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.9	-170.4	27.5	-27.7	0	0	0	113.1	S84 Y85 S86 Q93 G136	S84-P134 PolarHBondContact OG-O 3.21Å; Y85-P134 HydrophobicContact CD2-CB 4.35Å; Y85-P134 HydrophobicContact CE2-CB 3.84Å; Y85-P134 PolarHBondContact N-O 3.02Å; S86-P134 VanDerWaalsContact CB-O 3.29Å; S86-P134 WeakPolarHBondContact CB-O 3.48Å; S86-P134 PolarHBondContact N-O 3.27Å; S86-P134 PolarHBondContact OG-O 2.85Å; Q93-P134 WeakPolarHBondContact O-CD 3.04Å; Q93-P134 VanDerWaalsContact O-CG 3.26Å; Q93-P134 WeakPolarHBondContact O-CG 3.17Å; P134-G136 VanDerWaalsContact C-N 3.31Å
135	N	92	Very high	94.2	Very high	59 Å²	59	30.6 Å²	30.6	32%	0.316	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-7.8	172.6	67.3	-21.6	0	0	0	113.5	Y133 T137	Y133-N135 WeakPolarHBondContact CB-OD1 3.49Å; Y133-N135 PolarHBondContact O-N 3.31Å; Y133-N135 VanDerWaalsContact O-N 3.16Å; N135-T137 PolarHBondContact ND2-OG1 3.03Å; N135-T137 WeakPolarHBondContact OD1-CB 3.26Å; N135-T137 PolarHBondContact OD1-N 2.92Å; N135-T137 PolarHBondContact OD1-OG1 3.43Å
136	G	92.5	Very high	94.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	94.5	4.7	-174.2	0	0	0	0	0	114.6	D80 Y133 P134 V138	D80-G136 WeakPolarHBondContact CA-O 3.13Å; D80-G136 PolarHBondContact N-O 3.33Å; D80-G136 WeakPolarHBondContact O-CA 3.08Å; Y133-G136 PolarHBondContact O-N 3.03Å; P134-G136 VanDerWaalsContact C-N 3.31Å; G136-V138 PolarHBondContact O-N 2.89Å
137	T	94.8	Very high	94.7	Very high	13 Å²	13	23.9 Å²	23.9	8%	0.08	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	125.6	172.2	-61.3	0	0	0	0	109.5	L77 W78 Y133 N135	L77-T137 HydrophobicContact CD2-CG2 4.12Å; L77-T137 HydrophobicContact CG-CG2 4.3Å; W78-T137 CarbonylContact O-C 3.53Å; W78-T137 WeakPolarHBondContact O-CA 3.24Å; Y133-T137 WeakPolarHBondContact CB-O 3.28Å; Y133-T137 HydrophobicContact CD2-CG2 3.98Å; Y133-T137 WeakPolarHBondContact CD2-O 3.48Å; Y133-T137 PolarHBondContact N-O 3.32Å; N135-T137 PolarHBondContact ND2-OG1 3.03Å; N135-T137 WeakPolarHBondContact OD1-CB 3.26Å; N135-T137 PolarHBondContact OD1-N 2.92Å; N135-T137 PolarHBondContact OD1-OG1 3.43Å
138	V	95.2	Very high	94.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.3	174.5	-175.1	0	0	0	0	108.2	L77 W78 D80 L83 L130 V132 G136 T140	L77-V138 WeakPolarHBondContact CA-O 3.48Å; W78-V138 HydrophobicContact CD2-CB 4.02Å; W78-V138 HydrophobicContact CE3-CB 4.41Å; W78-V138 HydrophobicContact CH2-CB 4.14Å; W78-V138 HydrophobicContact CH2-CG1 3.57Å; W78-V138 HydrophobicContact CZ2-CB 3.69Å; W78-V138 HydrophobicContact CZ2-CG1 3.45Å; W78-V138 VanDerWaalsContact CZ2-CG1 3.45Å; W78-V138 HydrophobicContact CZ2-CG2 4.2Å; W78-V138 HydrophobicContact CZ3-CB 4.46Å; W78-V138 HydrophobicContact CZ3-CG1 4.15Å; W78-V138 PolarHBondContact N-O 3.35Å; W78-V138 VanDerWaalsContact N-O 3.11Å; W78-V138 PolarHBondContact O-N 3.03Å; D80-V138 HydrophobicContact CB-CG2 4.24Å; L83-V138 HydrophobicContact CD1-CG2 3.54Å; L130-V138 HydrophobicContact CD1-CG1 3.63Å; V132-V138 HydrophobicContact CG2-CG2 4.49Å; G136-V138 PolarHBondContact O-N 2.89Å; V138-T140 HydrophobicContact CG1-CG2 4.24Å
139	W	95.4	Very high	94.9	Very high	36 Å²	36	22 Å²	22	14%	0.136	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115	171.9	175.2	7.1	0	0	0	108.3	L77 F129 L131 Y133	L77-W139 HydrophobicContact CD1-CB 3.73Å; L77-W139 VanDerWaalsContact CD1-CD1 3.46Å; L77-W139 HydrophobicContact CD1-CD2 4.01Å; L77-W139 HydrophobicContact CD1-CG 3.49Å; L77-W139 VanDerWaalsContact CD1-CG 3.49Å; L77-W139 HydrophobicContact CG-CB 4.25Å; L77-W139 HydrophobicContact CG-CG 4.49Å; F129-W139 HydrophobicContact CE1-CD2 4.11Å; F129-W139 HydrophobicContact CE1-CE3 4.36Å; F129-W139 HydrophobicContact CE1-CG 4.43Å; L131-W139 HydrophobicContact CB-CB 4.31Å; L131-W139 HydrophobicContact CD2-CE3 3.85Å; L131-W139 HydrophobicContact CD2-CZ3 4.45Å; L131-W139 PolarHBondContact N-O 3.29Å; L131-W139 PolarHBondContact O-N 2.9Å; Y133-W139 HydrophobicContact CE2-CB 4.17Å; Y133-W139 AromaticContact CE2-CE3 3.98Å; Y133-W139 HydrophobicContact CE2-CE3 3.98Å; Y133-W139 AromaticContact CZ-CE3 3.98Å; Y133-W139 VanDerWaalsContact OH-CZ3 3.31Å; Y133-W139 WeakPolarHBondContact OH-CZ3 3.27Å
140	T	95.2	Very high	95	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.6	167.2	57.4	0	0	0	0	110.6	T75 E76 W78 L102 F129 L130 V138 Y142	T75-T140 CarbonylContact C-O 3.58Å; T75-T140 VanDerWaalsContact CA-O 3.25Å; T75-T140 WeakPolarHBondContact CA-O 3.4Å; E76-T140 WeakPolarHBondContact CB-OG1 3.37Å; E76-T140 PolarHBondContact N-O 3.37Å; E76-T140 PolarHBondContact O-N 2.88Å; E76-T140 PolarHBondContact O-OG1 2.8Å; W78-T140 HydrophobicContact CH2-CG2 3.5Å; W78-T140 VanDerWaalsContact CH2-CG2 3.5Å; W78-T140 HydrophobicContact CZ3-CG2 3.77Å; W78-T140 WeakPolarHBondContact CZ3-OG1 3.35Å; L102-T140 HydrophobicContact CD1-CG2 3.92Å; F129-T140 CarbonylContact O-C 3.56Å; F129-T140 VanDerWaalsContact O-CA 3.28Å; F129-T140 WeakPolarHBondContact O-CA 3.39Å; L130-T140 HydrophobicContact CD1-CG2 3.86Å; V138-T140 HydrophobicContact CG1-CG2 4.24Å; T140-Y142 WeakPolarHBondContact OG1-CE2 3.39Å
141	N	95.3	Very high	94.8	Very high	28 Å²	28	24.3 Å²	24.3	15%	0.15	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	125.1	169.9	177.8	-97	0	0	0	109.9	Y73 V74 T75 I128 F129	Y73-N141 WeakPolarHBondContact CD1-OD1 3.35Å; V74-N141 CarbonylContact O-C 3.58Å; V74-N141 VanDerWaalsContact O-CA 3.27Å; V74-N141 WeakPolarHBondContact O-CA 3.18Å; T75-N141 PolarHBondContact OG1-ND2 3.31Å; I128-N141 WeakPolarHBondContact CA-O 3.05Å; F129-N141 HydrophobicContact CB-CB 4.13Å; F129-N141 HydrophobicContact CD1-CB 4.23Å; F129-N141 PolarHBondContact N-O 3.1Å; F129-N141 PolarHBondContact O-N 3.35Å
142	Y	95.4	Very high	94.7	Very high	34 Å²	34	24.8 Å²	24.8	13%	0.133	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.8	-178.3	-54.6	-87	0	0	0	109.6	Y73 V74 E76 L102 I128 T140	Y73-Y142 CarbonylContact C-O 3.54Å; Y73-Y142 VanDerWaalsContact CA-O 3.23Å; Y73-Y142 WeakPolarHBondContact CA-O 3.45Å; V74-Y142 PolarHBondContact N-O 3.04Å; V74-Y142 PolarHBondContact O-N 3.46Å; E76-Y142 HydrophobicContact CG-CE2 4.5Å; L102-Y142 HydrophobicContact CD2-CE1 4.02Å; I128-Y142 HydrophobicContact CB-CD1 4.47Å; I128-Y142 HydrophobicContact CD1-CD1 4.36Å; I128-Y142 HydrophobicContact CD1-CE1 4.37Å; I128-Y142 HydrophobicContact CG1-CD1 4Å; I128-Y142 HydrophobicContact CG1-CE1 4.38Å; I128-Y142 HydrophobicContact CG2-CD1 3.95Å; I128-Y142 HydrophobicContact CG2-CE1 3.77Å; T140-Y142 WeakPolarHBondContact OG1-CE2 3.39Å
143	R	96.1	Very high	94.5	Very high	59 Å²	59	29 Å²	29	22%	0.223	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.6	168.1	-168.6	-168.8	165.7	171.6	-5	109.6	Y73 H121 N127	Y73-R143 HydrophobicContact CD1-CB 3.83Å; Y73-R143 HydrophobicContact CD1-CG 3.95Å; Y73-R143 HydrophobicContact CE1-CB 3.65Å; Y73-R143 HydrophobicContact CE1-CG 3.49Å; Y73-R143 VanDerWaalsContact CE1-CG 3.49Å; Y73-R143 HydrophobicContact CE2-CG 4.28Å; Y73-R143 WeakPolarHBondContact OH-CD 3.3Å; H121-R143 HydrophobicContact CB-CG 4.41Å; H121-R143 PolarHBondContact CD2-NE 3Å; H121-R143 PolarHBondContact N-O 3.31Å; N127-R143 HydrophobicContact CB-CB 3.71Å; N127-R143 PolarHBondContact O-N 3.48Å; N127-R143 VanDerWaalsContact O-N 3.11Å
144	L	96.1	Very high	94.4	Very high	20 Å²	20	29.1 Å²	29.1	11%	0.105	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.2	-173.2	-55	175.3	0	0	0	111.5	D71 L72 V74 F112 E119 I120 L146	D71-L144 WeakPolarHBondContact CA-O 3.2Å; L72-L144 HydrophobicContact CD1-CB 4.08Å; L72-L144 HydrophobicContact CD1-CD1 4.23Å; L72-L144 PolarHBondContact N-O 3Å; L72-L144 PolarHBondContact O-N 2.99Å; V74-L144 HydrophobicContact CB-CD1 4.43Å; V74-L144 HydrophobicContact CG2-CD1 3.66Å; F112-L144 HydrophobicContact CD2-CD1 4.44Å; F112-L144 HydrophobicContact CE2-CD1 3.76Å; E119-L144 CarbonylContact O-C 3.59Å; E119-L144 VanDerWaalsContact O-CA 3.32Å; E119-L144 WeakPolarHBondContact O-CA 3.33Å; I120-L144 HydrophobicContact CB-CD2 4.15Å; I120-L144 HydrophobicContact CG1-CD2 3.33Å; L144-L146 HydrophobicContact CB-CD2 4.05Å; L144-L146 HydrophobicContact CB-CG 4.15Å; L144-L146 HydrophobicContact CD1-CD2 4.33Å
145	T	96.7	Very high	94.4	Very high	40 Å²	40	31.1 Å²	31.1	25%	0.245	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.8	158.1	-64.4	0	0	0	0	107.9	D71 E119 H121	D71-T145 WeakPolarHBondContact OD1-CB 3.48Å; D71-T145 WeakPolarHBondContact OD1-CG2 3.18Å; D71-T145 PolarHBondContact OD1-OG1 2.99Å; E119-T145 PolarHBondContact N-O 3.24Å; E119-T145 PolarHBondContact O-N 3.04Å; H121-T145 PolarHBondContact CE1-OG1 2.9Å; H121-T145 PolarHBondContact NE2-OG1 2.96Å
146	L	96.7	Very high	94.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.5	-178.3	-54.8	174.7	0	0	0	110.7	N69 I70 L72 F112 S117 A118 L144 L166	N69-L146 CarbonylContact C-O 3.58Å; N69-L146 WeakPolarHBondContact CA-O 3.44Å; I70-L146 HydrophobicContact CG2-CB 3.93Å; I70-L146 PolarHBondContact N-O 3.32Å; I70-L146 PolarHBondContact O-N 3.01Å; L72-L146 HydrophobicContact CD1-CD1 4.05Å; L72-L146 HydrophobicContact CD2-CD1 3.67Å; L72-L146 HydrophobicContact CG-CD1 3.97Å; F112-L146 HydrophobicContact CD1-CD1 4.1Å; F112-L146 HydrophobicContact CD2-CD1 3.53Å; F112-L146 HydrophobicContact CD2-CD2 3.83Å; F112-L146 HydrophobicContact CD2-CG 4.36Å; F112-L146 HydrophobicContact CE1-CD1 3.91Å; F112-L146 HydrophobicContact CE2-CD1 3.34Å; F112-L146 HydrophobicContact CE2-CD2 4.17Å; F112-L146 HydrophobicContact CE2-CG 4.38Å; F112-L146 HydrophobicContact CG-CD1 3.91Å; F112-L146 HydrophobicContact CZ-CD1 3.54Å; S117-L146 WeakPolarHBondContact O-CA 3.05Å; A118-L146 HydrophobicContact CB-CD2 3.3Å; L144-L146 HydrophobicContact CB-CD2 4.05Å; L144-L146 HydrophobicContact CB-CG 4.15Å; L144-L146 HydrophobicContact CD1-CD2 4.33Å; L146-L166 HydrophobicContact CD1-CD1 4.07Å
147	T	97.2	Very high	94.4	Very high	25 Å²	25	29.7 Å²	29.7	15%	0.153	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	107.7	165.9	-55.7	0	0	0	0	108.6	D67 F68 N69 S115 K116 S117	D67-T147 HydrophobicContact CB-CG2 3.87Å; F68-T147 CarbonylContact O-C 3.58Å; F68-T147 WeakPolarHBondContact O-CA 3.49Å; N69-T147 WeakPolarHBondContact OD1-CB 3.23Å; N69-T147 WeakPolarHBondContact OD1-CG2 3.19Å; N69-T147 PolarHBondContact OD1-OG1 2.93Å; S115-T147 CarbonylContact C-O 3.53Å; S115-T147 WeakPolarHBondContact CA-O 3.48Å; K116-T147 HydrophobicContact CB-CG2 4.16Å; K116-T147 HydrophobicContact CD-CG2 4.36Å; K116-T147 PolarHBondContact N-O 3.32Å; S117-T147 PolarHBondContact O-N 3.38Å
148	G	96	Very high	94.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	157.1	179.3	0	0	0	0	0	113	D67 F68	D67-G148 CarbonylContact C-O 3.54Å; D67-G148 WeakPolarHBondContact CA-O 3.35Å; D67-G148 WeakPolarHBondContact CB-O 3.38Å; F68-G148 WeakPolarHBondContact CD1-O 3.33Å; F68-G148 PolarHBondContact N-O 3.03Å; F68-G148 PolarHBondContact O-N 2.88Å
149	P	96.1	Very high	94.1	Very high	30 Å²	30	31 Å²	31	20%	0.195	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	147.9	175	31.6	-33.5	0	0	0	111.1	N114	N114-P149 HydrophobicContact CB-CG 4.2Å; N114-P149 WeakPolarHBondContact O-CD 3.46Å; N114-P149 WeakPolarHBondContact O-CG 3.49Å
150	C	95.7	Very high	93.9	Very high	9 Å²	9	29.6 Å²	29.6	6%	0.061	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.3	172.7	-67.2	0	0	0	0	110.5	S66 F68 M152 V162 C164	S66-C150 PolarHBondContact O-N 2.95Å; F68-C150 WeakPolarHBondContact CD1-SG 3.38Å; C150-M152 HydrophobicContact CB-CE 3.76Å; C150-M152 HydrophobicContact CB-CG 4.12Å; C150-V162 HydrophobicContact CB-CG1 4.2Å; C150-C164 HydrophobicContact CB-CB 4.03Å; C150-C164 WeakPolarHBondContact CB-SG 3.16Å; C150-C164 WeakPolarHBondContact SG-CB 3.45Å; C150-C164 CovalentContact SG-SG 2.04Å; C150-C164 PolarHBondContact SG-SG 3.26Å
151	L	91.7	Very high	93.8	Very high	117 Å²	117	33 Å²	33	61%	0.613	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	107.3	168.4	-61.9	177.1	0	0	0	107.5	Q163	L151-Q163 PolarHBondContact N-O 3Å; L151-Q163 PolarHBondContact O-N 3.46Å
152	M	90	Very high	93.7	Very high	28 Å²	28	31.6 Å²	31.6	14%	0.138	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118	-176.9	-63.8	174.9	173.7	0	0	109.7	I61 S62 D63 C150 L154 V162	I61-M152 HydrophobicContact CG2-CE 3.7Å; S62-M152 WeakPolarHBondContact O-CE 3.4Å; D63-M152 HydrophobicContact CB-SD 4.46Å; C150-M152 HydrophobicContact CB-CE 3.76Å; C150-M152 HydrophobicContact CB-CG 4.12Å; M152-L154 HydrophobicContact CB-CD2 4.17Å; M152-L154 HydrophobicContact CB-CG 4.32Å; M152-V162 HydrophobicContact CE-CG1 4.15Å; M152-V162 HydrophobicContact CG-CG1 3.69Å; M152-V162 HydrophobicContact CG-CG2 4.13Å
153	D	91.1	Very high	93.7	Very high	91 Å²	91	33.4 Å²	33.4	49%	0.487	18%	0.182	S	C	.	.			trans	-102.6	101.6	166.5	-175.1	-4.4	0	0	0	108.7	T155	D153-T155 VanDerWaalsContact C-N 3.29Å; D153-T155 VanDerWaalsContact CG-OG1 3.32Å; D153-T155 PolarHBondContact O-N 3.48Å; D153-T155 VanDerWaalsContact OD1-CB 3.31Å; D153-T155 WeakPolarHBondContact OD1-CB 3.21Å; D153-T155 WeakPolarHBondContact OD1-CG2 3.14Å; D153-T155 PolarHBondContact OD1-N 2.8Å; D153-T155 VanDerWaalsContact OD1-N 3.12Å; D153-T155 PolarHBondContact OD1-OG1 2.97Å; D153-T155 PolarHBondContact OD2-OG1 3.41Å
154	L	91.2	Very high	93.7	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	17%	0.172	C	C	.	.			trans	-91.2	12	-175.1	-54.3	176.4	0	0	0	112.3	M152 A156 F157 D160 P286 V288 Y290 K292	M152-L154 HydrophobicContact CB-CD2 4.17Å; M152-L154 HydrophobicContact CB-CG 4.32Å; L154-A156 PolarHBondContact O-N 3.24Å; L154-F157 HydrophobicContact CB-CB 4.2Å; L154-F157 HydrophobicContact CD2-CD2 4.17Å; L154-F157 WeakPolarHBondContact O-CB 3.44Å; L154-F157 PolarHBondContact O-N 3.16Å; L154-F157 VanDerWaalsContact O-N 3.12Å; L154-D160 WeakPolarHBondContact CD2-OD2 3.44Å; L154-P286 HydrophobicContact CD1-CG 3.32Å; L154-V288 HydrophobicContact CD1-CG1 4.06Å; L154-Y290 HydrophobicContact CB-CE2 4.05Å; L154-Y290 WeakPolarHBondContact CB-OH 3.43Å; L154-Y290 PolarHBondContact N-OH 3.34Å; L154-K292 HydrophobicContact CB-CD 4.22Å; L154-K292 WeakPolarHBondContact O-CG 3.25Å
155	T	92.4	Very high	93.7	Very high	60 Å²	60	32.1 Å²	32.1	37%	0.368	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-41	178.5	48.4	0	0	0	0	111.7	D153 Y290 K292 A293	D153-T155 VanDerWaalsContact C-N 3.29Å; D153-T155 VanDerWaalsContact CG-OG1 3.32Å; D153-T155 PolarHBondContact O-N 3.48Å; D153-T155 VanDerWaalsContact OD1-CB 3.31Å; D153-T155 WeakPolarHBondContact OD1-CB 3.21Å; D153-T155 WeakPolarHBondContact OD1-CG2 3.14Å; D153-T155 PolarHBondContact OD1-N 2.8Å; D153-T155 VanDerWaalsContact OD1-N 3.12Å; D153-T155 PolarHBondContact OD1-OG1 2.97Å; D153-T155 PolarHBondContact OD2-OG1 3.41Å; T155-Y290 HydrophobicContact CG2-CD2 3.78Å; T155-Y290 HydrophobicContact CG2-CE2 3.95Å; T155-Y290 HydrophobicContact CG2-CG 4.47Å; T155-K292 CarbonylContact O-C 3.58Å; T155-A293 PolarHBondContact O-N 2.75Å
156	A	92.3	Very high	93.7	Very high	29 Å²	29	30.2 Å²	30.2	24%	0.24	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	10.7	178.4	0	0	0	0	0	114.5	L154 F159 D160	L154-A156 PolarHBondContact O-N 3.24Å; A156-F159 WeakPolarHBondContact O-CA 3.19Å; A156-F159 PolarHBondContact O-N 2.96Å; A156-D160 HydrophobicContact CB-CB 4.42Å
157	F	92.3	Very high	93.7	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	127.4	-175.9	-178.5	-83.9	0	0	0	112.6	L154 R229 Y234 L285 K292 A293 I294	L154-F157 HydrophobicContact CB-CB 4.2Å; L154-F157 HydrophobicContact CD2-CD2 4.17Å; L154-F157 WeakPolarHBondContact O-CB 3.44Å; L154-F157 PolarHBondContact O-N 3.16Å; L154-F157 VanDerWaalsContact O-N 3.12Å; F157-R229 VanDerWaalsContact CE2-CZ 3.49Å; F157-Y234 HydrophobicContact CE1-CD1 4.08Å; F157-Y234 HydrophobicContact CE1-CE1 4.09Å; F157-Y234 HydrophobicContact CE2-CE1 4.43Å; F157-Y234 AromaticContact CZ-CD1 3.86Å; F157-Y234 HydrophobicContact CZ-CD1 3.86Å; F157-Y234 AromaticContact CZ-CE1 3.42Å; F157-Y234 HydrophobicContact CZ-CE1 3.42Å; F157-Y234 VanDerWaalsContact CZ-CE1 3.42Å; F157-Y234 HydrophobicContact CZ-CE2 4.24Å; F157-Y234 HydrophobicContact CZ-CG 4.43Å; F157-Y234 AromaticContact CZ-CZ 3.62Å; F157-L285 HydrophobicContact CD1-CD1 4.05Å; F157-L285 HydrophobicContact CD1-CD2 4.28Å; F157-L285 HydrophobicContact CD2-CD2 4.32Å; F157-L285 HydrophobicContact CE1-CD1 3.67Å; F157-L285 HydrophobicContact CE1-CD2 3.56Å; F157-L285 HydrophobicContact CE1-CG 4.26Å; F157-L285 HydrophobicContact CE2-CD2 3.56Å; F157-L285 HydrophobicContact CZ-CD1 4.19Å; F157-L285 HydrophobicContact CZ-CD2 3.15Å; F157-L285 HydrophobicContact CZ-CG 4.28Å; F157-K292 HydrophobicContact CB-CD 4.5Å; F157-A293 WeakPolarHBondContact O-CB 3.43Å; F157-I294 HydrophobicContact CD1-CB 4.28Å; F157-I294 HydrophobicContact CD1-CG2 3.81Å; F157-I294 HydrophobicContact CE1-CD1 4.27Å; F157-I294 HydrophobicContact CE1-CG2 4.39Å; F157-I294 PolarHBondContact O-N 2.94Å
158	P	91.7	Very high	93.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	cis	-101	18	13.8	39.9	-37.8	0	0	0	115.8	D160 R229 P231 Y234 Y239	P158-D160 VanDerWaalsContact C-N 3.33Å; P158-R229 WeakPolarHBondContact O-CD 3.18Å; P158-P231 HydrophobicContact CG-CB 4.49Å; P158-Y234 HydrophobicContact CB-CD2 3.76Å; P158-Y234 HydrophobicContact CB-CE2 4.41Å; P158-Y234 HydrophobicContact CB-CG 3.86Å; P158-Y234 HydrophobicContact CG-CG 4.35Å; P158-Y239 HydrophobicContact CG-CE2 4.23Å
159	F	91.1	Very high	93.6	Very high	41 Å²	41	30.4 Å²	30.4	18%	0.18	17%	0.166	C	C	.	.	S	Bend	trans	-98	19.7	179.5	-51.2	-69.2	0	0	0	112.6	A156 P231 I235 W476 L480	A156-F159 WeakPolarHBondContact O-CA 3.19Å; A156-F159 PolarHBondContact O-N 2.96Å; F159-P231 HydrophobicContact CD1-CB 3.79Å; F159-P231 HydrophobicContact CD1-CG 4.13Å; F159-P231 HydrophobicContact CE1-CB 3.52Å; F159-P231 HydrophobicContact CE1-CG 4Å; F159-P231 HydrophobicContact CZ-CB 4.49Å; F159-I235 HydrophobicContact CE1-CD1 4.3Å; F159-W476 HydrophobicContact CE1-CZ3 4.22Å; F159-W476 HydrophobicContact CE2-CZ3 4.04Å; F159-W476 HydrophobicContact CZ-CE3 4.33Å; F159-W476 HydrophobicContact CZ-CH2 4.04Å; F159-W476 AromaticContact CZ-CZ3 3.43Å; F159-W476 HydrophobicContact CZ-CZ3 3.43Å; F159-W476 VanDerWaalsContact CZ-CZ3 3.43Å; F159-L480 HydrophobicContact CD1-CD2 3.64Å; F159-L480 HydrophobicContact CD2-CD2 4.33Å; F159-L480 HydrophobicContact CE1-CD2 3.81Å; F159-L480 HydrophobicContact CE2-CD2 4.47Å; F159-L480 HydrophobicContact CG-CD2 3.94Å; F159-L480 HydrophobicContact CZ-CD2 4.25Å
160	D	92.7	Very high	93.5	Very high	5 Å²	5	29 Å²	29	3%	0.027	16%	0.157	C	C	.	.			trans	-77.8	161.1	-175.8	56.2	-46.2	0	0	0	113.5	L154 A156 P158 R229	L154-D160 WeakPolarHBondContact CD2-OD2 3.44Å; A156-D160 HydrophobicContact CB-CB 4.42Å; P158-D160 VanDerWaalsContact C-N 3.33Å; D160-R229 PolarHBondContact O-N 3.4Å; D160-R229 WeakPolarHBondContact OD1-CD 3.36Å; D160-R229 IonicContact OD1-CZ 3.37Å; D160-R229 IonicContact OD1-NE 2.95Å; D160-R229 PolarHBondContact OD1-NE 2.76Å; D160-R229 IonicContact OD1-NH2 2.7Å; D160-R229 IonicContact OD2-CZ 2.76Å; D160-R229 IonicContact OD2-NE 3.87Å; D160-R229 PolarHBondContact OD2-NE 3.49Å; D160-R229 IonicContact OD2-NH2 3.73Å; D160-R229 PolarHBondContact OD2-NH2 3.47Å
161	T	92.9	Very high	93.4	Very high	71 Å²	71	35.5 Å²	35.5	44%	0.436	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.3	167.3	59.3	0	0	0	0	108.9	F227	T161-F227 CarbonylContact C-O 3.5Å; T161-F227 WeakPolarHBondContact CA-O 3.27Å
162	V	93.6	Very high	93.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.6	-177.3	173	0	0	0	0	109	C150 M152 Y199 F227	C150-V162 HydrophobicContact CB-CG1 4.2Å; M152-V162 HydrophobicContact CE-CG1 4.15Å; M152-V162 HydrophobicContact CG-CG1 3.69Å; M152-V162 HydrophobicContact CG-CG2 4.13Å; V162-Y199 HydrophobicContact CB-CE1 4.5Å; V162-Y199 HydrophobicContact CG2-CE1 4.07Å; V162-F227 HydrophobicContact CB-CB 4.43Å; V162-F227 PolarHBondContact N-O 3.37Å; V162-F227 PolarHBondContact O-N 2.97Å
163	Q	95	Very high	93.5	Very high	72 Å²	72	34.6 Å²	34.6	34%	0.336	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123	178.2	-59.9	-172.9	1.8	0	0	110.1	L151 F225 Q226	L151-Q163 PolarHBondContact N-O 3Å; L151-Q163 PolarHBondContact O-N 3.46Å; Q163-F225 WeakPolarHBondContact CA-O 3.36Å; Q163-Q226 HydrophobicContact CG-CG 4.19Å
164	C	95.9	Very high	93.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	144.4	175.5	-47.2	0	0	0	0	109.3	F68 C150 R224 F225 F227	F68-C164 HydrophobicContact CD1-CB 3.51Å; F68-C164 HydrophobicContact CE1-CB 3.43Å; F68-C164 VanDerWaalsContact CE1-CB 3.43Å; F68-C164 HydrophobicContact CE2-CB 4.47Å; F68-C164 HydrophobicContact CG-CB 4.09Å; F68-C164 HydrophobicContact CZ-CB 3.93Å; C150-C164 HydrophobicContact CB-CB 4.03Å; C150-C164 WeakPolarHBondContact CB-SG 3.16Å; C150-C164 WeakPolarHBondContact SG-CB 3.45Å; C150-C164 CovalentContact SG-SG 2.04Å; C150-C164 PolarHBondContact SG-SG 3.26Å; C164-R224 CarbonylContact O-C 3.57Å; C164-R224 WeakPolarHBondContact O-CA 3.4Å; C164-F225 PolarHBondContact N-O 3.43Å; C164-F225 PolarHBondContact O-N 3.43Å; C164-F227 HydrophobicContact CB-CE2 4.08Å
165	H	95.7	Very high	93.8	Very high	51 Å²	51	32.2 Å²	32.2	24%	0.236	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.6	-179.9	61.1	-80	0	0	0	111.1	N114 T222 M223	N114-H165 PolarHBondContact ND2-CD2 3.03Å; N114-H165 VanDerWaalsContact ND2-CD2 3.27Å; N114-H165 PolarHBondContact ND2-O 2.91Å; H165-T222 HydrophobicContact CB-CG2 4.17Å; H165-M223 CarbonylContact C-O 3.52Å; H165-M223 WeakPolarHBondContact CA-O 3.44Å; H165-M223 WeakPolarHBondContact CB-O 3.39Å
166	L	96.6	Very high	93.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.6	171.9	-75.7	169.2	0	0	0	108.1	F68 I70 L72 F112 N114 L146 T222 M223 F225	F68-L166 HydrophobicContact CE1-CG 4.25Å; F68-L166 HydrophobicContact CE2-CD1 4.33Å; F68-L166 HydrophobicContact CZ-CD1 3.71Å; F68-L166 HydrophobicContact CZ-CG 3.77Å; I70-L166 HydrophobicContact CG2-CD1 3.74Å; L72-L166 HydrophobicContact CD2-CD1 4.43Å; F112-L166 HydrophobicContact CD1-CB 4.01Å; F112-L166 HydrophobicContact CD1-CD2 4.37Å; F112-L166 HydrophobicContact CE1-CB 4.15Å; N114-L166 WeakPolarHBondContact OD1-CA 3.28Å; L146-L166 HydrophobicContact CD1-CD1 4.07Å; L166-T222 WeakPolarHBondContact O-CA 3.39Å; L166-M223 HydrophobicContact CB-CE 4.48Å; L166-M223 HydrophobicContact CB-CG 3.67Å; L166-M223 HydrophobicContact CB-SD 3.94Å; L166-M223 HydrophobicContact CD1-SD 4.17Å; L166-M223 PolarHBondContact N-O 3.39Å; L166-M223 WeakPolarHBondContact O-CG 3.39Å; L166-M223 PolarHBondContact O-N 3.46Å; L166-F225 HydrophobicContact CD1-CE2 4.45Å
167	T	96.4	Very high	93.9	Very high	9 Å²	9	37.1 Å²	37.1	6%	0.055	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.6	-179.5	-56.6	0	0	0	0	109.2	F112 I113 N114 E220 T222	F112-T167 CarbonylContact C-O 3.57Å; F112-T167 VanDerWaalsContact CA-O 3.26Å; F112-T167 WeakPolarHBondContact CA-O 3.12Å; I113-T167 HydrophobicContact CD1-CG2 3.66Å; I113-T167 HydrophobicContact CG1-CG2 3.83Å; I113-T167 PolarHBondContact N-O 3.3Å; N114-T167 PolarHBondContact OD1-N 3.37Å; T167-E220 HydrophobicContact CG2-CB 3.69Å; T167-E220 HydrophobicContact CG2-CG 3.77Å; T167-T222 PolarHBondContact OG1-OG1 3.07Å
168	F	96.3	Very high	94	Very high	9 Å²	9	37 Å²	37	4%	0.039	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.4	179	-161.3	-102.9	0	0	0	110	L51 V74 E76 C111 F112 L221	L51-F168 HydrophobicContact CD1-CD1 3.8Å; L51-F168 HydrophobicContact CD1-CE1 3.48Å; L51-F168 VanDerWaalsContact CD1-CE1 3.48Å; L51-F168 HydrophobicContact CD1-CZ 4.2Å; L51-F168 HydrophobicContact CD2-CB 4.09Å; L51-F168 HydrophobicContact CD2-CD1 3.51Å; L51-F168 HydrophobicContact CD2-CE1 4.11Å; L51-F168 HydrophobicContact CD2-CG 3.97Å; L51-F168 HydrophobicContact CG-CD1 4.32Å; L51-F168 HydrophobicContact CG-CE1 4.46Å; V74-F168 HydrophobicContact CG1-CE1 4.44Å; V74-F168 HydrophobicContact CG1-CE2 4.35Å; V74-F168 HydrophobicContact CG1-CZ 3.98Å; E76-F168 WeakPolarHBondContact OE1-CE1 3.28Å; C111-F168 WeakPolarHBondContact O-CA 3.36Å; F112-F168 HydrophobicContact CD1-CB 4.29Å; F112-F168 AromaticContact CD1-CD2 3.81Å; F112-F168 HydrophobicContact CD1-CD2 3.81Å; F112-F168 AromaticContact CD2-CD2 3.69Å; F112-F168 HydrophobicContact CD2-CD2 3.69Å; F112-F168 AromaticContact CD2-CE2 3.88Å; F112-F168 HydrophobicContact CD2-CE2 3.88Å; F112-F168 HydrophobicContact CE1-CB 4.09Å; F112-F168 AromaticContact CE1-CD2 3.62Å; F112-F168 HydrophobicContact CE1-CD2 3.62Å; F112-F168 HydrophobicContact CE1-CE2 4.5Å; F112-F168 HydrophobicContact CE1-CG 4.3Å; F112-F168 AromaticContact CE2-CD2 3.47Å; F112-F168 HydrophobicContact CE2-CD2 3.47Å; F112-F168 VanDerWaalsContact CE2-CD2 3.47Å; F112-F168 AromaticContact CE2-CE2 3.54Å; F112-F168 HydrophobicContact CE2-CE2 3.54Å; F112-F168 AromaticContact CG-CD2 3.85Å; F112-F168 HydrophobicContact CG-CD2 3.85Å; F112-F168 HydrophobicContact CG-CE2 4.47Å; F112-F168 AromaticContact CZ-CD2 3.45Å; F112-F168 HydrophobicContact CZ-CD2 3.45Å; F112-F168 VanDerWaalsContact CZ-CD2 3.45Å; F112-F168 AromaticContact CZ-CE2 3.9Å; F112-F168 HydrophobicContact CZ-CE2 3.9Å; F112-F168 HydrophobicContact CZ-CG 4.37Å; F168-L221 HydrophobicContact CB-CB 4.34Å; F168-L221 PolarHBondContact N-O 3.4Å; F168-L221 PolarHBondContact O-N 3.17Å
169	E	95.2	Very high	94.2	Very high	11 Å²	11	38.1 Å²	38.1	5%	0.051	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	152.9	-171.7	-173.1	-176.4	162.1	0	0	110.7	S110 C111 I113 Y213 W218 E220	S110-E169 CarbonylContact C-O 3.55Å; S110-E169 VanDerWaalsContact CA-O 3.26Å; S110-E169 WeakPolarHBondContact CA-O 3.43Å; C111-E169 PolarHBondContact N-O 3.46Å; C111-E169 PolarHBondContact O-N 2.97Å; I113-E169 HydrophobicContact CG2-CB 3.91Å; E169-Y213 WeakPolarHBondContact OE1-CE2 3.4Å; E169-W218 HydrophobicContact CG-CB 4.12Å; E169-W218 HydrophobicContact CG-CG 4.34Å; E169-W218 WeakPolarHBondContact OE1-CB 3.42Å; E169-E220 HydrophobicContact CG-CG 4.34Å; E169-E220 WeakPolarHBondContact OE2-CG 3.38Å
170	S	94.6	Very high	94.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	123.6	167	40.3	0	0	0	0	110.8	Y173 M180 W218	S170-Y173 WeakPolarHBondContact CB-O 3.26Å; S170-Y173 PolarHBondContact OG-O 2.97Å; S170-M180 PolarHBondContact N-SD 3.4Å; S170-W218 PolarHBondContact O-NE1 3.48Å
171	F	92.2	Very high	94.6	Very high	145 Å²	145	37.4 Å²	37.4	64%	0.636	19%	0.191	S	C	*	.	S	Bend	trans	-71.2	-41.2	-177.7	-169.6	-103.7	0	0	0	112.8	N109	N109-F171 VanDerWaalsContact O-CB 3.31Å; N109-F171 WeakPolarHBondContact O-CB 3.49Å; N109-F171 PolarHBondContact O-N 2.86Å
172	N	91.6	Very high	94.7	Very high	94 Å²	94	35.9 Å²	35.9	50%	0.503	18%	0.178	S	C	.	.	S	Bend	trans	-103.2	-25.9	-171	-70.7	-30.4	0	0	0	114.5
173	Y	93.3	Very high	94.7	Very high	33 Å²	33	36.4 Å²	36.4	13%	0.129	18%	0.181	C	C	.	.			trans	-108.1	128	-167.6	-59.6	-64.5	0	0	0	111.1	V42 W106 P108 N109 S170 E177 V178 W218	V42-Y173 HydrophobicContact CG2-CD1 4.21Å; V42-Y173 HydrophobicContact CG2-CE1 3.82Å; W106-Y173 AromaticContact CE2-CE2 3.93Å; W106-Y173 HydrophobicContact CZ2-CD2 4.06Å; W106-Y173 AromaticContact CZ2-CE2 3.71Å; W106-Y173 HydrophobicContact CZ2-CE2 3.71Å; W106-Y173 AromaticContact NE1-CE2 3.69Å; W106-Y173 AromaticContact NE1-CZ 3.41Å; W106-Y173 PolarHBondContact NE1-OH 2.91Å; P108-Y173 WeakPolarHBondContact O-CD2 3.47Å; N109-Y173 HydrophobicContact CB-CE2 4.4Å; S170-Y173 WeakPolarHBondContact CB-O 3.26Å; S170-Y173 PolarHBondContact OG-O 2.97Å; Y173-E177 HydrophobicContact CD1-CB 4.21Å; Y173-E177 WeakPolarHBondContact CD1-OE2 3.32Å; Y173-V178 HydrophobicContact CD1-CG2 4.4Å; Y173-V178 HydrophobicContact CD2-CG2 3.71Å; Y173-V178 HydrophobicContact CG-CB 4.44Å; Y173-V178 HydrophobicContact CG-CG2 3.58Å; Y173-W218 VanDerWaalsContact O-CD1 3.31Å; Y173-W218 PolarHBondContact O-NE1 3.4Å
174	N	94.2	Very high	94.5	Very high	31 Å²	31	41.6 Å²	41.6	17%	0.166	21%	0.206	C	C	.	.			trans	-77.8	178.4	175.9	69	13.8	0	0	0	111.6	D176 E177 V178 K217 W218	N174-D176 PolarHBondContact O-N 2.68Å; N174-D176 VanDerWaalsContact O-N 3.12Å; N174-D176 WeakPolarHBondContact OD1-CA 3.37Å; N174-D176 WeakPolarHBondContact OD1-CB 3.39Å; N174-D176 PolarHBondContact OD1-N 3.22Å; N174-E177 PolarHBondContact O-N 3.28Å; N174-E177 PolarHBondContact OD1-N 2.92Å; N174-E177 VanDerWaalsContact OD1-N 3.12Å; N174-V178 PolarHBondContact O-N 3.47Å; N174-V178 VanDerWaalsContact O-O 3.11Å; N174-K217 CarbonylContact C-O 3.54Å; N174-K217 WeakPolarHBondContact CA-O 3.43Å; N174-K217 VanDerWaalsContact CB-O 3.32Å; N174-K217 WeakPolarHBondContact CB-O 2.96Å; N174-W218 HydrophobicContact CB-CD2 4.33Å; N174-W218 HydrophobicContact CB-CE3 4.37Å; N174-W218 HydrophobicContact CB-CH2 3.84Å; N174-W218 HydrophobicContact CB-CZ2 3.85Å; N174-W218 HydrophobicContact CB-CZ3 4.16Å
175	T	94.2	Very high	94	Very high	14 Å²	14	43.6 Å²	43.6	9%	0.086	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.7	178.4	53.7	0	0	0	0	115	K46 K217 H219	K46-T175 WeakPolarHBondContact CE-O 3.46Å; K46-T175 PolarHBondContact NZ-O 3.43Å; T175-K217 HydrophobicContact CG2-CB 4.11Å; T175-K217 WeakPolarHBondContact CG2-O 3.27Å; T175-K217 PolarHBondContact N-O 3.01Å; T175-K217 PolarHBondContact OG1-O 3.21Å; T175-H219 VanDerWaalsContact CG2-CE1 3.45Å; T175-H219 WeakPolarHBondContact CG2-CE1 3.43Å; T175-H219 WeakPolarHBondContact CG2-NE2 3.34Å
176	D	92.6	Very high	93.8	Very high	112 Å²	112	41.6 Å²	41.6	60%	0.599	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-35.9	-179.4	-65.4	-27	0	0	0	111.1	K46 N174	K46-D176 VanDerWaalsContact CD-O 3.3Å; K46-D176 WeakPolarHBondContact CD-O 3.31Å; K46-D176 WeakPolarHBondContact CG-O 2.98Å; N174-D176 PolarHBondContact O-N 2.68Å; N174-D176 VanDerWaalsContact O-N 3.12Å; N174-D176 WeakPolarHBondContact OD1-CA 3.37Å; N174-D176 WeakPolarHBondContact OD1-CB 3.39Å; N174-D176 PolarHBondContact OD1-N 3.22Å
177	E	94	Very high	93.6	Very high	79 Å²	79	42.4 Å²	42.4	37%	0.369	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-45	179	-65	178.9	126.8	0	0	112.6	K46 A47 Y173 N174	K46-E177 CarbonylContact C-O 3.57Å; K46-E177 WeakPolarHBondContact CA-O 3.3Å; A47-E177 PolarHBondContact N-O 2.89Å; Y173-E177 HydrophobicContact CD1-CB 4.21Å; Y173-E177 WeakPolarHBondContact CD1-OE2 3.32Å; N174-E177 PolarHBondContact O-N 3.28Å; N174-E177 PolarHBondContact OD1-N 2.92Å; N174-E177 VanDerWaalsContact OD1-N 3.12Å
178	V	95.4	Very high	93.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.3	-177.2	177.4	0	0	0	0	110.1	A47 V49 W106 P108 Y173 N174 M180	A47-V178 HydrophobicContact CB-CG2 4.49Å; A47-V178 WeakPolarHBondContact O-CA 3.32Å; V49-V178 HydrophobicContact CG2-CG1 3.81Å; W106-V178 HydrophobicContact CH2-CG2 3.86Å; W106-V178 HydrophobicContact CZ2-CG2 3.76Å; P108-V178 HydrophobicContact CB-CG1 4.46Å; Y173-V178 HydrophobicContact CD1-CG2 4.4Å; Y173-V178 HydrophobicContact CD2-CG2 3.71Å; Y173-V178 HydrophobicContact CG-CB 4.44Å; Y173-V178 HydrophobicContact CG-CG2 3.58Å; N174-V178 PolarHBondContact O-N 3.47Å; N174-V178 VanDerWaalsContact O-O 3.11Å; V178-M180 HydrophobicContact CG1-CE 4.3Å; V178-M180 HydrophobicContact CG1-CG 4.13Å
179	S	95.2	Very high	93.1	Very high	22 Å²	22	47.5 Å²	47.5	15%	0.154	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.6	171.7	-164.8	0	0	0	0	110.3	A47 S48 V49 H219	A47-S179 PolarHBondContact O-N 3.11Å; S48-S179 WeakPolarHBondContact CA-O 3.38Å; V49-S179 PolarHBondContact N-O 3.22Å; S179-H219 PolarHBondContact OG-NE2 3.4Å
180	M	95.7	Very high	92.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	133.6	177.1	-68.3	-171.3	164.4	0	0	111.4	V49 P108 S110 S170 V178 R208 H219 L221	V49-M180 HydrophobicContact CB-CG 4.42Å; V49-M180 WeakPolarHBondContact O-CA 3.49Å; P108-M180 HydrophobicContact CB-CE 4.25Å; S110-M180 WeakPolarHBondContact OG-CE 3.44Å; S170-M180 PolarHBondContact N-SD 3.4Å; V178-M180 HydrophobicContact CG1-CE 4.3Å; V178-M180 HydrophobicContact CG1-CG 4.13Å; M180-R208 VanDerWaalsContact O-CD 3.24Å; M180-R208 WeakPolarHBondContact O-CD 3.16Å; M180-H219 HydrophobicContact CB-CB 4.11Å; M180-L221 HydrophobicContact CB-CD1 3.76Å; M180-L221 HydrophobicContact CB-CG 4.23Å
181	S	96.1	Very high	92.3	Very high	30 Å²	30	57.4 Å²	57.4	21%	0.21	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	150.3	176.7	50.7	0	0	0	0	111.6	V49 E50 L51	V49-S181 PolarHBondContact O-N 3.04Å; E50-S181 CarbonylContact C-O 3.59Å; E50-S181 WeakPolarHBondContact CA-O 2.99Å; L51-S181 PolarHBondContact N-O 3.47Å
182	W	96.2	Very high	91.6	Very high	40 Å²	40	59.5 Å²	59.5	15%	0.152	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	142.7	169.3	-67.6	111.5	0	0	0	110.7	L51 V53 A186 V187 Y207 L221 M223	L51-W182 HydrophobicContact CB-CE3 4.37Å; L51-W182 HydrophobicContact CD2-CE3 4.19Å; L51-W182 HydrophobicContact CD2-CH2 3.98Å; L51-W182 HydrophobicContact CD2-CZ3 3.64Å; L51-W182 HydrophobicContact CG-CE3 4.5Å; L51-W182 HydrophobicContact CG-CZ3 4.21Å; V53-W182 HydrophobicContact CB-CZ3 4.48Å; V53-W182 HydrophobicContact CG2-CH2 4.49Å; V53-W182 HydrophobicContact CG2-CZ3 3.93Å; W182-A186 HydrophobicContact CB-CB 3.77Å; W182-A186 HydrophobicContact CD2-CB 4.05Å; W182-A186 HydrophobicContact CE3-CB 4Å; W182-A186 HydrophobicContact CG-CB 3.98Å; W182-V187 HydrophobicContact CE3-CG2 4.21Å; W182-V187 HydrophobicContact CH2-CG2 3.67Å; W182-V187 HydrophobicContact CZ2-CG2 4.37Å; W182-V187 HydrophobicContact CZ3-CG2 3.56Å; W182-Y207 VanDerWaalsContact NE1-C 3.28Å; W182-Y207 PolarHBondContact NE1-O 2.93Å; W182-L221 VanDerWaalsContact CD1-CD2 3.46Å; W182-L221 HydrophobicContact CD2-CB 4.44Å; W182-L221 HydrophobicContact CD2-CD2 3.91Å; W182-L221 HydrophobicContact CG-CD2 3.78Å; W182-L221 HydrophobicContact CH2-CB 4.12Å; W182-L221 HydrophobicContact CZ2-CB 3.58Å; W182-L221 HydrophobicContact CZ2-CD2 4.44Å; W182-M223 HydrophobicContact CH2-CB 4.4Å; W182-M223 HydrophobicContact CH2-CE 4.06Å
183	S	93.6	Very high	90.8	Very high	10 Å²	10	61 Å²	61	7%	0.07	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	172.6	165.7	91.7	0	0	0	0	110.5	L51 E52 V185 A186	L51-S183 PolarHBondContact O-N 3.49Å; E52-S183 WeakPolarHBondContact CB-OG 3.2Å; E52-S183 PolarHBondContact OE2-OG 3Å; S183-V185 PolarHBondContact O-N 2.97Å; S183-V185 VanDerWaalsContact O-N 3.16Å; S183-V185 PolarHBondContact OG-N 3.42Å; S183-A186 PolarHBondContact O-N 3.3Å; S183-A186 PolarHBondContact OG-N 2.84Å
184	E	89.3	Confident	90.3	Very high	182 Å²	182	60.6 Å²	60.6	85%	0.85	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.8	-29.4	176	-65.7	-177.1	-176.8	0	0	113
185	V	86	Confident	89.3	Confident	41 Å²	41	67.4 Å²	67.4	25%	0.248	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-30	176.7	177.4	0	0	0	0	112.1	E52 W54 S183 V187 E188	E52-V185 HydrophobicContact CG-CB 4.28Å; E52-V185 HydrophobicContact CG-CG1 4.47Å; W54-V185 HydrophobicContact CZ2-CG1 4.43Å; S183-V185 PolarHBondContact O-N 2.97Å; S183-V185 VanDerWaalsContact O-N 3.16Å; S183-V185 PolarHBondContact OG-N 3.42Å; V185-V187 PolarHBondContact O-N 2.94Å; V185-E188 HydrophobicContact CG1-CB 3.7Å; V185-E188 VanDerWaalsContact CG1-OE2 3.26Å; V185-E188 WeakPolarHBondContact CG1-OE2 3.42Å
186	A	91.2	Very high	88.9	Confident	10 Å²	10	67.4 Å²	67.4	8%	0.083	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	54.1	-88.4	-175.3	0	0	0	0	0	113.8	V53 W182 S183 S206	V53-A186 PolarHBondContact N-O 3.21Å; W182-A186 HydrophobicContact CB-CB 3.77Å; W182-A186 HydrophobicContact CD2-CB 4.05Å; W182-A186 HydrophobicContact CE3-CB 4Å; W182-A186 HydrophobicContact CG-CB 3.98Å; S183-A186 PolarHBondContact O-N 3.3Å; S183-A186 PolarHBondContact OG-N 2.84Å; A186-S206 WeakPolarHBondContact CB-OG 3.17Å
187	V	92.2	Very high	88.4	Confident	17 Å²	17	66 Å²	66	10%	0.103	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	117.3	-178.5	-172.4	0	0	0	0	109.9	V53 V55 W182 V185 I204 M223	V53-V187 HydrophobicContact CB-CG1 4.42Å; V53-V187 HydrophobicContact CB-CG2 4.26Å; V53-V187 HydrophobicContact CG1-CG1 4.35Å; V53-V187 WeakPolarHBondContact O-CA 3.48Å; V55-V187 HydrophobicContact CG2-CG1 4Å; W182-V187 HydrophobicContact CE3-CG2 4.21Å; W182-V187 HydrophobicContact CH2-CG2 3.67Å; W182-V187 HydrophobicContact CZ2-CG2 4.37Å; W182-V187 HydrophobicContact CZ3-CG2 3.56Å; V185-V187 PolarHBondContact O-N 2.94Å; V187-I204 HydrophobicContact CB-CG2 4.09Å; V187-I204 HydrophobicContact CG1-CG2 3.73Å; V187-M223 HydrophobicContact CG2-CB 4Å
188	E	90.6	Very high	88	Confident	83 Å²	83	65.5 Å²	65.5	39%	0.388	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.1	-179.2	-164.1	173.7	178.9	0	0	111.6	V53 W54 V55 V185	V53-E188 PolarHBondContact O-N 3.47Å; W54-E188 CarbonylContact C-O 3.53Å; W54-E188 WeakPolarHBondContact CA-O 3.28Å; W54-E188 HydrophobicContact CE3-CB 4.19Å; W54-E188 HydrophobicContact CH2-CB 4.29Å; W54-E188 HydrophobicContact CH2-CG 4.27Å; W54-E188 WeakPolarHBondContact CH2-OE2 3.49Å; W54-E188 HydrophobicContact CZ3-CB 4.02Å; W54-E188 HydrophobicContact CZ3-CG 3.95Å; V55-E188 PolarHBondContact N-O 3.15Å; V185-E188 HydrophobicContact CG1-CB 3.7Å; V185-E188 VanDerWaalsContact CG1-OE2 3.26Å; V185-E188 WeakPolarHBondContact CG1-OE2 3.42Å
189	P	91.4	Very high	87.9	Confident	42 Å²	42	65.8 Å²	65.8	27%	0.273	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135.4	172.6	32.2	-33.7	0	0	0	110.7	R191 M194 I204	P189-R191 VanDerWaalsContact C-N 3.25Å; P189-R191 PolarHBondContact O-N 3.16Å; P189-M194 HydrophobicContact CB-SD 4.3Å; P189-I204 HydrophobicContact CB-CD1 4.38Å; P189-I204 HydrophobicContact CG-CD1 4.29Å
190	M	87.5	Confident	87.7	Confident	81 Å²	81	66.9 Å²	66.9	40%	0.399	34%	0.344	S	S	.	.	S	Bend	trans	-70.5	-23	177.4	-68.5	-174.5	70.9	0	0	113.2	W54 V55 Q56 Y73	W54-M190 HydrophobicContact CB-CG 3.84Å; W54-M190 HydrophobicContact CB-SD 4.25Å; W54-M190 HydrophobicContact CD2-CG 4.45Å; W54-M190 HydrophobicContact CE3-CG 3.84Å; V55-M190 WeakPolarHBondContact O-CB 3.23Å; V55-M190 WeakPolarHBondContact O-CG 3.29Å; V55-M190 PolarHBondContact O-N 3.24Å; Q56-M190 HydrophobicContact CB-SD 3.89Å; Q56-M190 HydrophobicContact CG-SD 4.13Å; Y73-M190 HydrophobicContact CD2-CE 4.44Å; Y73-M190 HydrophobicContact CD2-SD 3.48Å; Y73-M190 WeakPolarHBondContact CD2-SD 3.38Å; Y73-M190 HydrophobicContact CE2-CE 4.09Å; Y73-M190 HydrophobicContact CE2-SD 3.44Å; Y73-M190 WeakPolarHBondContact CE2-SD 3.48Å
191	R	85.2	Confident	87.5	Confident	138 Å²	138	69 Å²	69	52%	0.521	35%	0.354	S	S	.	.	S	Bend	trans	-120.2	135.8	175.4	-66.7	-177.9	178.6	154.5	4.6	108.5	E57 P189 N193	E57-R191 IonicContact OE2-CZ 2.8Å; E57-R191 IonicContact OE2-NH1 3.52Å; E57-R191 PolarHBondContact OE2-NH1 3.38Å; P189-R191 VanDerWaalsContact C-N 3.25Å; P189-R191 PolarHBondContact O-N 3.16Å; R191-N193 PolarHBondContact O-N 3.48Å
192	E	78	Confident	87.2	Confident	189 Å²	189	72.4 Å²	72.4	88%	0.883	37%	0.367	S	S	*	.	S	Bend	trans	-60.3	-38.2	176.9	-66	-179	175	0	0	111.8
193	N	76.1	Confident	87	Confident	127 Å²	127	75.3 Å²	75.3	68%	0.679	38%	0.381	S	S	*	.	S	Bend	trans	-113.5	115.9	177.8	-64.5	-43.2	0	0	0	109.9	R191	R191-N193 PolarHBondContact O-N 3.48Å
194	M	81	Confident	87	Confident	24 Å²	24	76.9 Å²	76.9	12%	0.118	39%	0.388	C	S	.	.			trans	-91.6	115.5	169	-57.8	-174.8	79.9	0	0	108.2	V55 I58 P189 L196 L201	V55-M194 HydrophobicContact CG1-CE 3.51Å; V55-M194 HydrophobicContact CG1-SD 4.22Å; I58-M194 HydrophobicContact CB-CE 4.04Å; I58-M194 HydrophobicContact CD1-CE 3.5Å; I58-M194 VanDerWaalsContact CD1-CE 3.5Å; I58-M194 HydrophobicContact CD1-SD 3.83Å; I58-M194 HydrophobicContact CG1-CE 3.57Å; I58-M194 VanDerWaalsContact N-CE 3.3Å; P189-M194 HydrophobicContact CB-SD 4.3Å; M194-L196 HydrophobicContact CB-CD1 3.97Å; M194-L196 PolarHBondContact O-N 2.97Å; M194-L201 HydrophobicContact CG-CD2 4.5Å; M194-L201 HydrophobicContact SD-CD2 3.56Å; M194-L201 VanDerWaalsContact SD-CD2 3.56Å
195	E	73.6	Confident	87.3	Confident	174 Å²	174	71 Å²	71	81%	0.813	36%	0.362	S	S	*	.			trans	-85.6	90.2	-177.9	-65.5	-172.4	172.7	0	0	110.4
196	L	85.9	Confident	87.7	Confident	13 Å²	13	71.2 Å²	71.2	7%	0.068	37%	0.365	C	S	.	.			trans	-95.2	141.5	165.1	-70.1	83	0	0	0	109.3	I58 I61 M194 Y199 F227 R230	I58-L196 HydrophobicContact CB-CD1 4.3Å; I58-L196 HydrophobicContact CB-CD2 4.38Å; I58-L196 HydrophobicContact CG2-CD2 3.86Å; I61-L196 HydrophobicContact CD1-CD2 3.53Å; I61-L196 HydrophobicContact CG1-CD2 3.96Å; M194-L196 HydrophobicContact CB-CD1 3.97Å; M194-L196 PolarHBondContact O-N 2.97Å; L196-Y199 WeakPolarHBondContact CB-O 3.4Å; L196-F227 HydrophobicContact CD2-CE1 4.41Å; L196-R230 PolarHBondContact O-NH1 3.33Å
197	A	81.4	Confident	87.9	Confident	82 Å²	82	73.8 Å²	73.8	68%	0.678	37%	0.373	S	S	*	.	S	Bend	trans	-64.5	-52.3	179.7	0	0	0	0	0	111.3
198	D	87.4	Confident	88.1	Confident	70 Å²	70	79.4 Å²	79.4	37%	0.374	39%	0.393	S	S	.	.	S	Bend	trans	-100.4	-9.3	-169.8	-61.2	-37.8	0	0	0	114.2	R230	D198-R230 PolarHBondContact O-N 3.09Å
199	Y	92	Very high	88.3	Confident	5 Å²	5	78.8 Å²	78.8	2%	0.02	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.5	-174.4	-61	-92.6	0	0	0	112.9	I61 D63 V162 L196 F227 K228 R229	I61-Y199 HydrophobicContact CB-CD2 4.08Å; I61-Y199 HydrophobicContact CB-CE2 3.75Å; I61-Y199 HydrophobicContact CD1-CD1 4.44Å; I61-Y199 HydrophobicContact CD1-CD2 3.87Å; I61-Y199 HydrophobicContact CD1-CE2 4.29Å; I61-Y199 HydrophobicContact CD1-CG 3.93Å; I61-Y199 HydrophobicContact CG1-CD2 4.46Å; I61-Y199 HydrophobicContact CG2-CE2 3.92Å; D63-Y199 PolarHBondContact OD1-OH 3.46Å; D63-Y199 PolarHBondContact OD2-OH 3.27Å; V162-Y199 HydrophobicContact CB-CE1 4.5Å; V162-Y199 HydrophobicContact CG2-CE1 4.07Å; L196-Y199 WeakPolarHBondContact CB-O 3.4Å; Y199-F227 HydrophobicContact CD1-CB 4Å; Y199-F227 HydrophobicContact CG-CB 4.45Å; Y199-K228 CarbonylContact C-O 3.55Å; Y199-K228 WeakPolarHBondContact CA-O 3.32Å; Y199-R229 HydrophobicContact CD1-CB 4.22Å; Y199-R229 HydrophobicContact CE1-CB 4.22Å; Y199-R229 HydrophobicContact CE1-CG 4.35Å; Y199-R229 VanDerWaalsContact CZ-NH1 3.3Å; Y199-R229 PolarHBondContact OH-NH1 2.9Å; Y199-R229 PolarHBondContact OH-NH2 3.03Å
200	T	91.7	Very high	88.5	Confident	46 Å²	46	81.8 Å²	81.8	28%	0.282	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.9	167	52.5	0	0	0	0	108.8	E202 F227 K228 R230	T200-E202 PolarHBondContact O-N 3.3Å; T200-F227 WeakPolarHBondContact O-CA 3.32Å; T200-K228 PolarHBondContact N-O 3.43Å; T200-K228 PolarHBondContact O-N 3.49Å; T200-K228 PolarHBondContact OG1-O 2.93Å; T200-R230 HydrophobicContact CG2-CG 3.96Å
201	L	91.5	Very high	88.9	Confident	44 Å²	44	79.9 Å²	79.9	23%	0.23	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	118.4	170.9	179.1	67.5	0	0	0	108.9	M194 I204 F225 F227	M194-L201 HydrophobicContact CG-CD2 4.5Å; M194-L201 HydrophobicContact SD-CD2 3.56Å; M194-L201 VanDerWaalsContact SD-CD2 3.56Å; L201-I204 HydrophobicContact CD1-CG1 4.24Å; L201-I204 HydrophobicContact CD2-CD1 3.99Å; L201-I204 HydrophobicContact CD2-CG1 3.96Å; L201-I204 HydrophobicContact CG-CG1 4.44Å; L201-F225 HydrophobicContact CD1-CB 4.33Å; L201-F225 HydrophobicContact CD1-CD1 4.33Å; L201-F227 HydrophobicContact CB-CD1 4.27Å; L201-F227 HydrophobicContact CB-CE1 4.2Å; L201-F227 HydrophobicContact CD1-CD1 4.01Å; L201-F227 HydrophobicContact CD1-CE1 3.62Å; L201-F227 HydrophobicContact CD1-CZ 4.15Å; L201-F227 HydrophobicContact CG-CE1 4.48Å
202	E	89.8	Confident	89.4	Confident	102 Å²	102	77.6 Å²	77.6	48%	0.477	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-45.8	179	-70.8	-163.6	145.7	0	0	112.1	T200 Q226 K228	T200-E202 PolarHBondContact O-N 3.3Å; E202-Q226 PolarHBondContact N-O 3.11Å; E202-K228 HydrophobicContact CG-CB 3.77Å; E202-K228 WeakPolarHBondContact OE1-CD 3.4Å; E202-K228 IonicContact OE1-NZ 3.6Å
203	K	91.3	Very high	90.1	Very high	101 Å²	101	72.9 Å²	72.9	44%	0.439	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	152.5	179.7	60.8	-178.3	174.6	-172.2	0	113.2	I205 Q226	K203-I205 HydrophobicContact CD-CD1 4.01Å; K203-I205 HydrophobicContact CD-CG1 4.3Å; K203-I205 HydrophobicContact CG-CD1 4.49Å; K203-I205 HydrophobicContact CG-CG1 4.44Å; K203-Q226 HydrophobicContact CG-CB 3.85Å; K203-Q226 HydrophobicContact CG-CG 3.98Å; K203-Q226 PolarHBondContact O-N 3.07Å
204	I	93.9	Very high	90.8	Very high	44 Å²	44	73.8 Å²	73.8	23%	0.226	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.6	170.6	-51.3	177	0	0	0	107	V187 P189 L201 R224 F225	V187-I204 HydrophobicContact CB-CG2 4.09Å; V187-I204 HydrophobicContact CG1-CG2 3.73Å; P189-I204 HydrophobicContact CB-CD1 4.38Å; P189-I204 HydrophobicContact CG-CD1 4.29Å; L201-I204 HydrophobicContact CD1-CG1 4.24Å; L201-I204 HydrophobicContact CD2-CD1 3.99Å; L201-I204 HydrophobicContact CD2-CG1 3.96Å; L201-I204 HydrophobicContact CG-CG1 4.44Å; I204-R224 WeakPolarHBondContact CA-O 3.45Å; I204-F225 HydrophobicContact CD1-CD1 4.41Å; I204-F225 HydrophobicContact CD1-CE1 4.19Å; I204-F225 HydrophobicContact CG1-CD1 4.01Å; I204-F225 HydrophobicContact CG1-CE1 4.21Å; I204-F225 HydrophobicContact CG2-CD1 4.17Å; I204-F225 HydrophobicContact CG2-CE1 3.93Å
205	I	95	Very high	91.3	Very high	59 Å²	59	76.4 Å²	76.4	30%	0.303	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126	178	-53.4	171.4	0	0	0	108.1	K203 Y207 M223 R224	K203-I205 HydrophobicContact CD-CD1 4.01Å; K203-I205 HydrophobicContact CD-CG1 4.3Å; K203-I205 HydrophobicContact CG-CD1 4.49Å; K203-I205 HydrophobicContact CG-CG1 4.44Å; I205-Y207 HydrophobicContact CG2-CD1 4.33Å; I205-M223 CarbonylContact O-C 3.53Å; I205-R224 HydrophobicContact CB-CB 4.36Å; I205-R224 PolarHBondContact N-O 3.37Å; I205-R224 PolarHBondContact O-N 2.99Å
206	S	95.5	Very high	92.2	Very high	45 Å²	45	69.5 Å²	69.5	32%	0.315	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.6	173.9	53.5	0	0	0	0	110.4	A186 T222	A186-S206 WeakPolarHBondContact CB-OG 3.17Å; S206-T222 WeakPolarHBondContact CA-O 3.45Å
207	Y	95.7	Very high	92.7	Very high	64 Å²	64	73.4 Å²	73.4	25%	0.251	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	159.2	174.5	57.4	-94.3	0	0	0	111	W182 I205 N209 T222 R224	W182-Y207 VanDerWaalsContact NE1-C 3.28Å; W182-Y207 PolarHBondContact NE1-O 2.93Å; I205-Y207 HydrophobicContact CG2-CD1 4.33Å; Y207-N209 WeakPolarHBondContact CD2-OD1 3.36Å; Y207-N209 VanDerWaalsContact CE2-ND2 3.28Å; Y207-N209 WeakPolarHBondContact CE2-ND2 3.46Å; Y207-T222 HydrophobicContact CE1-CG2 4.2Å; Y207-T222 HydrophobicContact CE2-CG2 4.06Å; Y207-T222 PolarHBondContact N-O 3.26Å; Y207-T222 PolarHBondContact O-N 3.49Å; Y207-T222 WeakPolarHBondContact OH-CG2 3.12Å; Y207-R224 PolarHBondContact OH-NH2 3.38Å
208	R	96.1	Very high	93.4	Very high	135 Å²	135	70.4 Å²	70.4	51%	0.509	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.6	175.1	-176.8	-172.3	68.6	173.1	1.4	109.2	M180 E220 L221	M180-R208 VanDerWaalsContact O-CD 3.24Å; M180-R208 WeakPolarHBondContact O-CD 3.16Å; R208-E220 CarbonylContact C-O 3.5Å; R208-E220 WeakPolarHBondContact CA-O 3.31Å; R208-L221 HydrophobicContact CB-CD2 4Å; R208-L221 HydrophobicContact CG-CD2 3.94Å
209	N	95.1	Very high	93.8	Very high	70 Å²	70	67.9 Å²	67.9	37%	0.374	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	157.8	172.5	-74.7	-9.4	0	0	0	110.8	Y207 H219 E220	Y207-N209 WeakPolarHBondContact CD2-OD1 3.36Å; Y207-N209 VanDerWaalsContact CE2-ND2 3.28Å; Y207-N209 WeakPolarHBondContact CE2-ND2 3.46Å; N209-H219 WeakPolarHBondContact O-CA 3.41Å; N209-E220 HydrophobicContact CB-CB 4.35Å; N209-E220 PolarHBondContact N-O 2.93Å; N209-E220 PolarHBondContact O-N 3.02Å
210	E	95.8	Very high	94	Very high	104 Å²	104	68.7 Å²	68.7	49%	0.486	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.2	168.7	-176.1	178.5	128	0	0	107.9	K217 W218 H219	E210-K217 HydrophobicContact CG-CB 4.34Å; E210-K217 HydrophobicContact CG-CD 4.17Å; E210-K217 WeakPolarHBondContact OE1-CD 3.42Å; E210-K217 WeakPolarHBondContact OE1-CE 3.42Å; E210-K217 IonicContact OE1-NZ 2.79Å; E210-K217 PolarHBondContact OE1-NZ 3.26Å; E210-W218 WeakPolarHBondContact CA-O 3.37Å; E210-H219 IonicContact OE2-CE1 3.82Å
211	V	94.8	Very high	94.3	Very high	42 Å²	42	66.5 Å²	66.5	26%	0.255	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	140.3	-176.9	179	0	0	0	0	109.3	Y213 K217 W218 E220	V211-Y213 HydrophobicContact CB-CE2 4.11Å; V211-Y213 HydrophobicContact CG1-CD2 4.3Å; V211-Y213 HydrophobicContact CG1-CE2 3.81Å; V211-K217 WeakPolarHBondContact O-CA 3.34Å; V211-W218 PolarHBondContact N-O 3.25Å; V211-W218 PolarHBondContact O-N 2.89Å; V211-E220 HydrophobicContact CB-CG 4.43Å; V211-E220 HydrophobicContact CG2-CG 4.07Å; V211-E220 WeakPolarHBondContact CG2-OE1 3.37Å; V211-E220 WeakPolarHBondContact CG2-OE2 3.42Å
212	S	95.2	Very high	94.5	Very high	89 Å²	89	64.5 Å²	64.5	62%	0.622	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.9	178.7	-61.8	0	0	0	0	109.9
213	Y	92.8	Very high	94.8	Very high	91 Å²	91	59.7 Å²	59.7	36%	0.357	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	165	172.6	-70.2	-77.4	0	0	0	110	E169 V211 A215 G216 W218 E220	E169-Y213 WeakPolarHBondContact OE1-CE2 3.4Å; V211-Y213 HydrophobicContact CB-CE2 4.11Å; V211-Y213 HydrophobicContact CG1-CD2 4.3Å; V211-Y213 HydrophobicContact CG1-CE2 3.81Å; Y213-A215 PolarHBondContact O-N 2.82Å; Y213-G216 CarbonylContact C-O 3.51Å; Y213-G216 PolarHBondContact N-O 3.44Å; Y213-G216 PolarHBondContact O-N 2.93Å; Y213-G216 VanDerWaalsContact O-N 3.08Å; Y213-W218 HydrophobicContact CD2-CB 4.03Å; Y213-W218 HydrophobicContact CD2-CD2 4.03Å; Y213-W218 AromaticContact CD2-CE3 3.71Å; Y213-W218 HydrophobicContact CD2-CE3 3.71Å; Y213-W218 HydrophobicContact CD2-CG 4.16Å; Y213-W218 HydrophobicContact CE2-CB 4.09Å; Y213-W218 HydrophobicContact CE2-CG 4.48Å; Y213-W218 HydrophobicContact CG-CE3 4.25Å; Y213-E220 PolarHBondContact OH-OE1 3.38Å
214	P	92.2	Very high	95	Very high	145 Å²	145	58.7 Å²	58.7	94%	0.942	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.1	177.4	-28.1	36.4	0	0	0	114.6
215	A	91.1	Very high	95.1	Very high	79 Å²	79	56.6 Å²	56.6	65%	0.653	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	3.7	-178.5	0	0	0	0	0	114.3	Y213 W218	Y213-A215 PolarHBondContact O-N 2.82Å; A215-W218 VanDerWaalsContact C-CZ3 3.47Å; A215-W218 HydrophobicContact CB-CH2 3.5Å; A215-W218 HydrophobicContact CB-CZ3 3.95Å
216	G	92.9	Very high	95	Very high	29 Å²	29	54.8 Å²	54.8	30%	0.299	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	129.9	-155.6	-172.6	0	0	0	0	0	113.6	Y213 W218	Y213-G216 CarbonylContact C-O 3.51Å; Y213-G216 PolarHBondContact N-O 3.44Å; Y213-G216 PolarHBondContact O-N 2.93Å; Y213-G216 VanDerWaalsContact O-N 3.08Å; G216-W218 VanDerWaalsContact C-CE3 3.49Å; G216-W218 WeakPolarHBondContact O-CZ3 3.37Å
217	K	95.7	Very high	95	Very high	96 Å²	96	52.6 Å²	52.6	42%	0.417	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.1	179.6	-58.7	-167.4	-177.9	177.9	0	111.2	N174 T175 E210 V211	N174-K217 CarbonylContact C-O 3.54Å; N174-K217 WeakPolarHBondContact CA-O 3.43Å; N174-K217 VanDerWaalsContact CB-O 3.32Å; N174-K217 WeakPolarHBondContact CB-O 2.96Å; T175-K217 HydrophobicContact CG2-CB 4.11Å; T175-K217 WeakPolarHBondContact CG2-O 3.27Å; T175-K217 PolarHBondContact N-O 3.01Å; T175-K217 PolarHBondContact OG1-O 3.21Å; E210-K217 HydrophobicContact CG-CB 4.34Å; E210-K217 HydrophobicContact CG-CD 4.17Å; E210-K217 WeakPolarHBondContact OE1-CD 3.42Å; E210-K217 WeakPolarHBondContact OE1-CE 3.42Å; E210-K217 IonicContact OE1-NZ 2.79Å; E210-K217 PolarHBondContact OE1-NZ 3.26Å; V211-K217 WeakPolarHBondContact O-CA 3.34Å
218	W	95.7	Very high	94.8	Very high	19 Å²	19	54.3 Å²	54.3	7%	0.072	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.1	178.3	-84.1	-109.8	0	0	0	111.3	E169 S170 Y173 N174 E210 V211 Y213 A215 G216	E169-W218 HydrophobicContact CG-CB 4.12Å; E169-W218 HydrophobicContact CG-CG 4.34Å; E169-W218 WeakPolarHBondContact OE1-CB 3.42Å; S170-W218 PolarHBondContact O-NE1 3.48Å; Y173-W218 VanDerWaalsContact O-CD1 3.31Å; Y173-W218 PolarHBondContact O-NE1 3.4Å; N174-W218 HydrophobicContact CB-CD2 4.33Å; N174-W218 HydrophobicContact CB-CE3 4.37Å; N174-W218 HydrophobicContact CB-CH2 3.84Å; N174-W218 HydrophobicContact CB-CZ2 3.85Å; N174-W218 HydrophobicContact CB-CZ3 4.16Å; E210-W218 WeakPolarHBondContact CA-O 3.37Å; V211-W218 PolarHBondContact N-O 3.25Å; V211-W218 PolarHBondContact O-N 2.89Å; Y213-W218 HydrophobicContact CD2-CB 4.03Å; Y213-W218 HydrophobicContact CD2-CD2 4.03Å; Y213-W218 AromaticContact CD2-CE3 3.71Å; Y213-W218 HydrophobicContact CD2-CE3 3.71Å; Y213-W218 HydrophobicContact CD2-CG 4.16Å; Y213-W218 HydrophobicContact CE2-CB 4.09Å; Y213-W218 HydrophobicContact CE2-CG 4.48Å; Y213-W218 HydrophobicContact CG-CE3 4.25Å; A215-W218 VanDerWaalsContact C-CZ3 3.47Å; A215-W218 HydrophobicContact CB-CH2 3.5Å; A215-W218 HydrophobicContact CB-CZ3 3.95Å; G216-W218 VanDerWaalsContact C-CE3 3.49Å; G216-W218 WeakPolarHBondContact O-CZ3 3.37Å
219	H	96.6	Very high	94.7	Very high	16 Å²	16	48.1 Å²	48.1	7%	0.074	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.2	170.9	-70.1	-44.5	0	0	0	109.8	T175 S179 M180 N209 E210	T175-H219 VanDerWaalsContact CG2-CE1 3.45Å; T175-H219 WeakPolarHBondContact CG2-CE1 3.43Å; T175-H219 WeakPolarHBondContact CG2-NE2 3.34Å; S179-H219 PolarHBondContact OG-NE2 3.4Å; M180-H219 HydrophobicContact CB-CB 4.11Å; N209-H219 WeakPolarHBondContact O-CA 3.41Å; E210-H219 IonicContact OE2-CE1 3.82Å
220	E	96.1	Very high	94.6	Very high	22 Å²	22	50.3 Å²	50.3	10%	0.103	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.7	175.6	-77.1	-176.6	-171.5	0	0	110.1	T167 E169 R208 N209 V211 Y213	T167-E220 HydrophobicContact CG2-CB 3.69Å; T167-E220 HydrophobicContact CG2-CG 3.77Å; E169-E220 HydrophobicContact CG-CG 4.34Å; E169-E220 WeakPolarHBondContact OE2-CG 3.38Å; R208-E220 CarbonylContact C-O 3.5Å; R208-E220 WeakPolarHBondContact CA-O 3.31Å; N209-E220 HydrophobicContact CB-CB 4.35Å; N209-E220 PolarHBondContact N-O 2.93Å; N209-E220 PolarHBondContact O-N 3.02Å; V211-E220 HydrophobicContact CB-CG 4.43Å; V211-E220 HydrophobicContact CG2-CG 4.07Å; V211-E220 WeakPolarHBondContact CG2-OE1 3.37Å; V211-E220 WeakPolarHBondContact CG2-OE2 3.42Å; Y213-E220 PolarHBondContact OH-OE1 3.38Å
221	L	96.9	Very high	94.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	100.7	173.3	-66.7	171	0	0	0	108.1	L51 F168 M180 W182 R208	L51-L221 HydrophobicContact CB-CD1 3.67Å; L51-L221 HydrophobicContact CD2-CB 4.18Å; L51-L221 HydrophobicContact CD2-CD1 3.57Å; L51-L221 HydrophobicContact CG-CD1 4.23Å; F168-L221 HydrophobicContact CB-CB 4.34Å; F168-L221 PolarHBondContact N-O 3.4Å; F168-L221 PolarHBondContact O-N 3.17Å; M180-L221 HydrophobicContact CB-CD1 3.76Å; M180-L221 HydrophobicContact CB-CG 4.23Å; W182-L221 VanDerWaalsContact CD1-CD2 3.46Å; W182-L221 HydrophobicContact CD2-CB 4.44Å; W182-L221 HydrophobicContact CD2-CD2 3.91Å; W182-L221 HydrophobicContact CG-CD2 3.78Å; W182-L221 HydrophobicContact CH2-CB 4.12Å; W182-L221 HydrophobicContact CZ2-CB 3.58Å; W182-L221 HydrophobicContact CZ2-CD2 4.44Å; R208-L221 HydrophobicContact CB-CD2 4Å; R208-L221 HydrophobicContact CG-CD2 3.94Å
222	T	96.9	Very high	94.2	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.6	-177.7	-51.6	0	0	0	0	111.5	H165 L166 T167 S206 Y207	H165-T222 HydrophobicContact CB-CG2 4.17Å; L166-T222 WeakPolarHBondContact O-CA 3.39Å; T167-T222 PolarHBondContact OG1-OG1 3.07Å; S206-T222 WeakPolarHBondContact CA-O 3.45Å; Y207-T222 HydrophobicContact CE1-CG2 4.2Å; Y207-T222 HydrophobicContact CE2-CG2 4.06Å; Y207-T222 PolarHBondContact N-O 3.26Å; Y207-T222 PolarHBondContact O-N 3.49Å; Y207-T222 WeakPolarHBondContact OH-CG2 3.12Å
223	M	95.7	Very high	94	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.4	168	64.5	-173.4	79.4	0	0	109.5	V53 L72 F112 H165 L166 W182 V187 I205 F225	V53-M223 HydrophobicContact CB-CE 4.36Å; V53-M223 HydrophobicContact CG1-CE 4.04Å; V53-M223 HydrophobicContact CG1-SD 4.4Å; V53-M223 HydrophobicContact CG2-CE 3.91Å; L72-M223 HydrophobicContact CD2-SD 4.31Å; F112-M223 HydrophobicContact CE1-CE 3.73Å; F112-M223 HydrophobicContact CZ-CE 4.24Å; H165-M223 CarbonylContact C-O 3.52Å; H165-M223 WeakPolarHBondContact CA-O 3.44Å; H165-M223 WeakPolarHBondContact CB-O 3.39Å; L166-M223 HydrophobicContact CB-CE 4.48Å; L166-M223 HydrophobicContact CB-CG 3.67Å; L166-M223 HydrophobicContact CB-SD 3.94Å; L166-M223 HydrophobicContact CD1-SD 4.17Å; L166-M223 PolarHBondContact N-O 3.39Å; L166-M223 WeakPolarHBondContact O-CG 3.39Å; L166-M223 PolarHBondContact O-N 3.46Å; W182-M223 HydrophobicContact CH2-CB 4.4Å; W182-M223 HydrophobicContact CH2-CE 4.06Å; V187-M223 HydrophobicContact CG2-CB 4Å; I205-M223 CarbonylContact O-C 3.53Å; M223-F225 HydrophobicContact CB-CE2 4.29Å; M223-F225 HydrophobicContact CB-CZ 4.38Å; M223-F225 HydrophobicContact CG-CE2 3.6Å; M223-F225 HydrophobicContact CG-CZ 3.96Å; M223-F225 HydrophobicContact SD-CE2 3.67Å; M223-F225 HydrophobicContact SD-CZ 3.64Å
224	R	96.1	Very high	93.9	Very high	81 Å²	81	45.6 Å²	45.6	31%	0.306	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.1	-179.3	-175.1	-176.1	-61.3	173.2	2.6	109.7	C164 I204 I205 Y207	C164-R224 CarbonylContact O-C 3.57Å; C164-R224 WeakPolarHBondContact O-CA 3.4Å; I204-R224 WeakPolarHBondContact CA-O 3.45Å; I205-R224 HydrophobicContact CB-CB 4.36Å; I205-R224 PolarHBondContact N-O 3.37Å; I205-R224 PolarHBondContact O-N 2.99Å; Y207-R224 PolarHBondContact OH-NH2 3.38Å
225	F	94.7	Very high	93.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.3	175.8	-57	-81.3	0	0	0	109.5	V55 F68 I70 Q163 C164 L166 L201 I204 M223 F227	V55-F225 HydrophobicContact CG2-CE1 3.94Å; V55-F225 HydrophobicContact CG2-CZ 4.05Å; F68-F225 AromaticContact CE2-CD2 4Å; F68-F225 HydrophobicContact CE2-CD2 4Å; F68-F225 HydrophobicContact CE2-CE2 4.22Å; F68-F225 AromaticContact CZ-CD2 3.93Å; F68-F225 HydrophobicContact CZ-CD2 3.93Å; F68-F225 HydrophobicContact CZ-CE2 4.18Å; I70-F225 HydrophobicContact CD1-CE1 4.16Å; I70-F225 HydrophobicContact CD1-CE2 3.97Å; I70-F225 HydrophobicContact CD1-CZ 3.64Å; Q163-F225 WeakPolarHBondContact CA-O 3.36Å; C164-F225 PolarHBondContact N-O 3.43Å; C164-F225 PolarHBondContact O-N 3.43Å; L166-F225 HydrophobicContact CD1-CE2 4.45Å; L201-F225 HydrophobicContact CD1-CB 4.33Å; L201-F225 HydrophobicContact CD1-CD1 4.33Å; I204-F225 HydrophobicContact CD1-CD1 4.41Å; I204-F225 HydrophobicContact CD1-CE1 4.19Å; I204-F225 HydrophobicContact CG1-CD1 4.01Å; I204-F225 HydrophobicContact CG1-CE1 4.21Å; I204-F225 HydrophobicContact CG2-CD1 4.17Å; I204-F225 HydrophobicContact CG2-CE1 3.93Å; M223-F225 HydrophobicContact CB-CE2 4.29Å; M223-F225 HydrophobicContact CB-CZ 4.38Å; M223-F225 HydrophobicContact CG-CE2 3.6Å; M223-F225 HydrophobicContact CG-CZ 3.96Å; M223-F225 HydrophobicContact SD-CE2 3.67Å; M223-F225 HydrophobicContact SD-CZ 3.64Å; F225-F227 HydrophobicContact CB-CD2 4.35Å; F225-F227 HydrophobicContact CB-CE2 3.48Å; F225-F227 VanDerWaalsContact CB-CE2 3.48Å; F225-F227 HydrophobicContact CB-CZ 3.6Å; F225-F227 HydrophobicContact CG-CZ 4.32Å
226	Q	94.4	Very high	94	Very high	20 Å²	20	43.1 Å²	43.1	9%	0.093	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.9	173.8	-60.9	-154.8	-5.9	0	0	110.6	Q163 E202 K203	Q163-Q226 HydrophobicContact CG-CG 4.19Å; E202-Q226 PolarHBondContact N-O 3.11Å; K203-Q226 HydrophobicContact CG-CB 3.85Å; K203-Q226 HydrophobicContact CG-CG 3.98Å; K203-Q226 PolarHBondContact O-N 3.07Å
227	F	93.7	Very high	93.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.9	-179.2	-58.6	-75.8	0	0	0	110.2	I58 I61 T161 V162 C164 L196 Y199 T200 L201 F225	I58-F227 HydrophobicContact CD1-CE1 3.68Å; I58-F227 HydrophobicContact CD1-CZ 3.67Å; I58-F227 HydrophobicContact CG2-CZ 4.46Å; I61-F227 HydrophobicContact CD1-CB 4.28Å; I61-F227 HydrophobicContact CD1-CD1 3.68Å; I61-F227 HydrophobicContact CD1-CD2 3.7Å; I61-F227 HydrophobicContact CD1-CE1 3.85Å; I61-F227 HydrophobicContact CD1-CE2 3.86Å; I61-F227 HydrophobicContact CD1-CG 3.61Å; I61-F227 HydrophobicContact CD1-CZ 3.93Å; T161-F227 CarbonylContact C-O 3.5Å; T161-F227 WeakPolarHBondContact CA-O 3.27Å; V162-F227 HydrophobicContact CB-CB 4.43Å; V162-F227 PolarHBondContact N-O 3.37Å; V162-F227 PolarHBondContact O-N 2.97Å; C164-F227 HydrophobicContact CB-CE2 4.08Å; L196-F227 HydrophobicContact CD2-CE1 4.41Å; Y199-F227 HydrophobicContact CD1-CB 4Å; Y199-F227 HydrophobicContact CG-CB 4.45Å; T200-F227 WeakPolarHBondContact O-CA 3.32Å; L201-F227 HydrophobicContact CB-CD1 4.27Å; L201-F227 HydrophobicContact CB-CE1 4.2Å; L201-F227 HydrophobicContact CD1-CD1 4.01Å; L201-F227 HydrophobicContact CD1-CE1 3.62Å; L201-F227 HydrophobicContact CD1-CZ 4.15Å; L201-F227 HydrophobicContact CG-CE1 4.48Å; F225-F227 HydrophobicContact CB-CD2 4.35Å; F225-F227 HydrophobicContact CB-CE2 3.48Å; F225-F227 VanDerWaalsContact CB-CE2 3.48Å; F225-F227 HydrophobicContact CB-CZ 3.6Å; F225-F227 HydrophobicContact CG-CZ 4.32Å
228	K	92.8	Very high	93.7	Very high	100 Å²	100	42.6 Å²	42.6	44%	0.435	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.1	168.4	177	165.1	-179.6	172.9	0	109.6	Y199 T200 E202	Y199-K228 CarbonylContact C-O 3.55Å; Y199-K228 WeakPolarHBondContact CA-O 3.32Å; T200-K228 PolarHBondContact N-O 3.43Å; T200-K228 PolarHBondContact O-N 3.49Å; T200-K228 PolarHBondContact OG1-O 2.93Å; E202-K228 HydrophobicContact CG-CB 3.77Å; E202-K228 WeakPolarHBondContact OE1-CD 3.4Å; E202-K228 IonicContact OE1-NZ 3.6Å
229	R	93.2	Very high	93.5	Very high	5 Å²	5	41.7 Å²	41.7	2%	0.019	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	143.6	179.2	-168.2	179.3	-57	-84.8	-0.7	110.9	D63 F157 P158 D160 Y199 P231 Y234	D63-R229 IonicContact OD1-CZ 3.75Å; D63-R229 IonicContact OD1-NH1 2.76Å; D63-R229 IonicContact OD1-NH2 2.75Å; D63-R229 PolarHBondContact OD1-NH2 2.99Å; D63-R229 IonicContact OD2-CZ 2.66Å; D63-R229 IonicContact OD2-NH1 2.89Å; D63-R229 PolarHBondContact OD2-NH1 3.47Å; D63-R229 IonicContact OD2-NH2 3.54Å; D63-R229 PolarHBondContact OD2-NH2 2.85Å; F157-R229 VanDerWaalsContact CE2-CZ 3.49Å; P158-R229 WeakPolarHBondContact O-CD 3.18Å; D160-R229 PolarHBondContact O-N 3.4Å; D160-R229 WeakPolarHBondContact OD1-CD 3.36Å; D160-R229 IonicContact OD1-CZ 3.37Å; D160-R229 IonicContact OD1-NE 2.95Å; D160-R229 PolarHBondContact OD1-NE 2.76Å; D160-R229 IonicContact OD1-NH2 2.7Å; D160-R229 IonicContact OD2-CZ 2.76Å; D160-R229 IonicContact OD2-NE 3.87Å; D160-R229 PolarHBondContact OD2-NE 3.49Å; D160-R229 IonicContact OD2-NH2 3.73Å; D160-R229 PolarHBondContact OD2-NH2 3.47Å; Y199-R229 HydrophobicContact CD1-CB 4.22Å; Y199-R229 HydrophobicContact CE1-CB 4.22Å; Y199-R229 HydrophobicContact CE1-CG 4.35Å; Y199-R229 VanDerWaalsContact CZ-NH1 3.3Å; Y199-R229 PolarHBondContact OH-NH1 2.9Å; Y199-R229 PolarHBondContact OH-NH2 3.03Å; R229-P231 WeakPolarHBondContact O-CD 3.36Å; R229-Y234 HydrophobicContact CG-CE2 4.28Å
230	R	92.6	Very high	93.3	Very high	116 Å²	116	44.9 Å²	44.9	44%	0.438	22%	0.217	S	C	.	.			trans	-87.4	109.2	171.3	-69.2	180	171.9	169.6	1.4	109.3	L196 D198 T200 G232	L196-R230 PolarHBondContact O-NH1 3.33Å; D198-R230 PolarHBondContact O-N 3.09Å; T200-R230 HydrophobicContact CG2-CG 3.96Å; R230-G232 VanDerWaalsContact C-N 3.31Å; R230-G232 PolarHBondContact O-N 2.72Å
231	P	91.5	Very high	93.2	Very high	41 Å²	41	45.7 Å²	45.7	27%	0.266	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.1	-171.8	31.4	-36.9	0	0	0	114	P158 F159 R229 W233 Y234 I235	P158-P231 HydrophobicContact CG-CB 4.49Å; F159-P231 HydrophobicContact CD1-CB 3.79Å; F159-P231 HydrophobicContact CD1-CG 4.13Å; F159-P231 HydrophobicContact CE1-CB 3.52Å; F159-P231 HydrophobicContact CE1-CG 4Å; F159-P231 HydrophobicContact CZ-CB 4.49Å; R229-P231 WeakPolarHBondContact O-CD 3.36Å; P231-W233 PolarHBondContact O-N 2.98Å; P231-Y234 PolarHBondContact O-N 3.16Å; P231-Y234 VanDerWaalsContact O-N 3.11Å; P231-I235 HydrophobicContact CB-CD1 3.99Å; P231-I235 HydrophobicContact CB-CG1 4.44Å; P231-I235 HydrophobicContact CG-CD1 4.31Å; P231-I235 WeakPolarHBondContact O-CG1 3.5Å; P231-I235 PolarHBondContact O-N 3.41Å
232	G	91.1	Very high	93	Very high	41 Å²	41	45.7 Å²	45.7	42%	0.423	22%	0.224	S	C	.	.	H	α-helix	trans	-56.8	-41.2	-167.7	0	0	0	0	0	114.7	R230 I235 L236	R230-G232 VanDerWaalsContact C-N 3.31Å; R230-G232 PolarHBondContact O-N 2.72Å; G232-I235 PolarHBondContact O-N 2.87Å; G232-L236 WeakPolarHBondContact O-CG 3.09Å; G232-L236 PolarHBondContact O-N 3.09Å; G232-L236 VanDerWaalsContact O-N 3.16Å
233	W	91.3	Very high	92.8	Very high	116 Å²	116	47.5 Å²	47.5	44%	0.439	23%	0.232	S	C	.	.	H	α-helix	trans	-65.3	-44.6	177.8	-176.6	92.5	0	0	0	112.1	P231 I235 L236 Q237	P231-W233 PolarHBondContact O-N 2.98Å; W233-I235 PolarHBondContact O-N 3.01Å; W233-L236 PolarHBondContact O-N 3.35Å; W233-Q237 HydrophobicContact CD2-CG 4.31Å; W233-Q237 HydrophobicContact CZ2-CG 4.31Å; W233-Q237 VanDerWaalsContact CZ2-NE2 3.33Å; W233-Q237 PolarHBondContact O-N 2.93Å
234	Y	91.5	Very high	92.6	Very high	28 Å²	28	52.1 Å²	52.1	11%	0.11	26%	0.256	C	S	.	.	H	α-helix	trans	-66.3	-37.2	178.5	-60.9	-78.6	0	0	0	112.2	F157 P158 R229 P231 A238 Y239	F157-Y234 HydrophobicContact CE1-CD1 4.08Å; F157-Y234 HydrophobicContact CE1-CE1 4.09Å; F157-Y234 HydrophobicContact CE2-CE1 4.43Å; F157-Y234 AromaticContact CZ-CD1 3.86Å; F157-Y234 HydrophobicContact CZ-CD1 3.86Å; F157-Y234 AromaticContact CZ-CE1 3.42Å; F157-Y234 HydrophobicContact CZ-CE1 3.42Å; F157-Y234 VanDerWaalsContact CZ-CE1 3.42Å; F157-Y234 HydrophobicContact CZ-CE2 4.24Å; F157-Y234 HydrophobicContact CZ-CG 4.43Å; F157-Y234 AromaticContact CZ-CZ 3.62Å; P158-Y234 HydrophobicContact CB-CD2 3.76Å; P158-Y234 HydrophobicContact CB-CE2 4.41Å; P158-Y234 HydrophobicContact CB-CG 3.86Å; P158-Y234 HydrophobicContact CG-CG 4.35Å; R229-Y234 HydrophobicContact CG-CE2 4.28Å; P231-Y234 PolarHBondContact O-N 3.16Å; P231-Y234 VanDerWaalsContact O-N 3.11Å; Y234-A238 WeakPolarHBondContact O-CA 3.44Å; Y234-A238 VanDerWaalsContact O-CB 3.3Å; Y234-A238 WeakPolarHBondContact O-CB 3.48Å; Y234-A238 PolarHBondContact O-N 3.32Å; Y234-Y239 PolarHBondContact O-N 3.07Å
235	I	92.3	Very high	92.4	Very high	57 Å²	57	49 Å²	49	29%	0.292	25%	0.246	S	C	.	.	I	π-helix	trans	-61.1	-45.7	174.9	-67.2	168.5	0	0	0	110.7	F159 P231 G232 W233 Y239 L240	F159-I235 HydrophobicContact CE1-CD1 4.3Å; P231-I235 HydrophobicContact CB-CD1 3.99Å; P231-I235 HydrophobicContact CB-CG1 4.44Å; P231-I235 HydrophobicContact CG-CD1 4.31Å; P231-I235 WeakPolarHBondContact O-CG1 3.5Å; P231-I235 PolarHBondContact O-N 3.41Å; G232-I235 PolarHBondContact O-N 2.87Å; W233-I235 PolarHBondContact O-N 3.01Å; I235-Y239 HydrophobicContact CG1-CD2 4.33Å; I235-Y239 WeakPolarHBondContact O-CB 3.35Å; I235-Y239 PolarHBondContact O-N 3.29Å; I235-L240 PolarHBondContact O-N 3.48Å
236	L	91.8	Very high	92.3	Very high	115 Å²	115	49 Å²	49	60%	0.602	25%	0.246	S	C	*	.	I	π-helix	trans	-73	-35.1	-178.7	-70.8	172.4	0	0	0	113.5	G232 W233 L240 P241	G232-L236 WeakPolarHBondContact O-CG 3.09Å; G232-L236 PolarHBondContact O-N 3.09Å; G232-L236 VanDerWaalsContact O-N 3.16Å; W233-L236 PolarHBondContact O-N 3.35Å; L236-L240 HydrophobicContact CD2-CD2 4.15Å; L236-P241 WeakPolarHBondContact O-CD 3.07Å
237	Q	90.5	Very high	92	Very high	104 Å²	104	53 Å²	53	49%	0.486	26%	0.263	S	S	.	.	I	π-helix	trans	-92	-33.8	-176.2	-67.9	-153.4	7.2	0	0	114.8	W233 P241	W233-Q237 HydrophobicContact CD2-CG 4.31Å; W233-Q237 HydrophobicContact CZ2-CG 4.31Å; W233-Q237 VanDerWaalsContact CZ2-NE2 3.33Å; W233-Q237 PolarHBondContact O-N 2.93Å; Q237-P241 WeakPolarHBondContact O-CD 3.47Å; Q237-P241 WeakPolarHBondContact O-CG 3.35Å
238	A	91.4	Very high	91.8	Very high	10 Å²	10	56.6 Å²	56.6	8%	0.083	28%	0.281	C	S	.	.	I	π-helix	trans	-100.7	-58.6	-179.4	0	0	0	0	0	110.9	Y234 T242 V281 I294	Y234-A238 WeakPolarHBondContact O-CA 3.44Å; Y234-A238 VanDerWaalsContact O-CB 3.3Å; Y234-A238 WeakPolarHBondContact O-CB 3.48Å; Y234-A238 PolarHBondContact O-N 3.32Å; A238-T242 WeakPolarHBondContact O-CG2 3.38Å; A238-T242 PolarHBondContact O-N 2.8Å; A238-T242 PolarHBondContact O-OG1 3.21Å; A238-V281 HydrophobicContact CB-CG2 4.16Å; A238-I294 HydrophobicContact CB-CD1 4.07Å
239	Y	92.5	Very high	91.5	Very high	1 Å²	1	51.9 Å²	51.9	0%	0.004	26%	0.261	C	S	.	.	I	π-helix	trans	-67.6	-50.6	-172.5	-68.3	-97.2	0	0	0	112	P158 Y234 I235 T242 F243 W297 Y475 W476	P158-Y239 HydrophobicContact CG-CE2 4.23Å; Y234-Y239 PolarHBondContact O-N 3.07Å; I235-Y239 HydrophobicContact CG1-CD2 4.33Å; I235-Y239 WeakPolarHBondContact O-CB 3.35Å; I235-Y239 PolarHBondContact O-N 3.29Å; Y239-T242 WeakPolarHBondContact CA-OG1 3.46Å; Y239-T242 PolarHBondContact O-N 2.89Å; Y239-T242 VanDerWaalsContact O-N 3.1Å; Y239-T242 PolarHBondContact O-OG1 2.95Å; Y239-F243 WeakPolarHBondContact O-CD2 3.43Å; Y239-F243 PolarHBondContact O-N 3.28Å; Y239-W297 AromaticContact CD1-CD1 3.9Å; Y239-W297 AromaticContact CD1-CD2 3.74Å; Y239-W297 HydrophobicContact CD1-CD2 3.74Å; Y239-W297 AromaticContact CD1-CE2 3.54Å; Y239-W297 HydrophobicContact CD1-CE3 4.35Å; Y239-W297 AromaticContact CD1-CG 4Å; Y239-W297 HydrophobicContact CD1-CG 4Å; Y239-W297 HydrophobicContact CD1-CZ2 4.04Å; Y239-W297 AromaticContact CD1-NE1 3.61Å; Y239-W297 HydrophobicContact CE1-CB 4.2Å; Y239-W297 AromaticContact CE1-CD1 3.88Å; Y239-W297 AromaticContact CE1-CD2 3.64Å; Y239-W297 HydrophobicContact CE1-CD2 3.64Å; Y239-W297 AromaticContact CE1-CE2 3.96Å; Y239-W297 HydrophobicContact CE1-CE3 4.13Å; Y239-W297 AromaticContact CE1-CG 3.64Å; Y239-W297 HydrophobicContact CE1-CG 3.64Å; Y239-Y475 AromaticContact CE1-CE1 3.79Å; Y239-Y475 HydrophobicContact CE1-CE1 3.79Å; Y239-Y475 PolarHBondContact OH-OH 3.24Å; Y239-W476 HydrophobicContact CD1-CH2 4.29Å; Y239-W476 HydrophobicContact CD1-CZ2 4.03Å; Y239-W476 HydrophobicContact CE1-CH2 4.38Å; Y239-W476 HydrophobicContact CE1-CZ2 4.31Å
240	L	93.1	Very high	91.2	Very high	83 Å²	83	53 Å²	53	44%	0.435	27%	0.265	S	S	.	.	H	α-helix	trans	-58.5	-47.8	-175.6	177.8	68.4	0	0	0	113.3	I235 L236 T242 F243 L244	I235-L240 PolarHBondContact O-N 3.48Å; L236-L240 HydrophobicContact CD2-CD2 4.15Å; L240-T242 VanDerWaalsContact C-N 3.31Å; L240-T242 PolarHBondContact O-N 3.3Å; L240-F243 PolarHBondContact O-N 2.92Å; L240-L244 WeakPolarHBondContact O-CG 3.35Å; L240-L244 PolarHBondContact O-N 3.22Å; L240-L244 VanDerWaalsContact O-N 3.14Å
241	P	93	Very high	90.8	Very high	38 Å²	38	51.9 Å²	51.9	25%	0.247	27%	0.267	C	S	.	.	H	α-helix	trans	-62.2	-36.6	175	-27.8	39.1	0	0	0	113.4	L236 Q237 L244 T245 Q277	L236-P241 WeakPolarHBondContact O-CD 3.07Å; Q237-P241 WeakPolarHBondContact O-CD 3.47Å; Q237-P241 WeakPolarHBondContact O-CG 3.35Å; P241-L244 PolarHBondContact O-N 3.25Å; P241-T245 WeakPolarHBondContact O-CG2 3.46Å; P241-T245 PolarHBondContact O-N 2.85Å; P241-T245 PolarHBondContact O-OG1 3.24Å; P241-Q277 VanDerWaalsContact CB-NE2 3.29Å
242	T	92.7	Very high	90.4	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-69.9	-32.6	178.4	64.5	0	0	0	0	112.6	A238 Y239 L240 T245 I246 M274 W297 M298	A238-T242 WeakPolarHBondContact O-CG2 3.38Å; A238-T242 PolarHBondContact O-N 2.8Å; A238-T242 PolarHBondContact O-OG1 3.21Å; Y239-T242 WeakPolarHBondContact CA-OG1 3.46Å; Y239-T242 PolarHBondContact O-N 2.89Å; Y239-T242 VanDerWaalsContact O-N 3.1Å; Y239-T242 PolarHBondContact O-OG1 2.95Å; L240-T242 VanDerWaalsContact C-N 3.31Å; L240-T242 PolarHBondContact O-N 3.3Å; T242-T245 WeakPolarHBondContact CA-OG1 3.5Å; T242-T245 PolarHBondContact O-OG1 2.79Å; T242-I246 WeakPolarHBondContact O-CD1 3.13Å; T242-I246 VanDerWaalsContact O-CG1 3.24Å; T242-I246 WeakPolarHBondContact O-CG1 3.1Å; T242-I246 PolarHBondContact O-N 3.4Å; T242-M274 HydrophobicContact CG2-CE 3.92Å; T242-M274 HydrophobicContact CG2-SD 3.98Å; T242-W297 PolarHBondContact OG1-NE1 2.76Å; T242-M298 HydrophobicContact CG2-CE 3.81Å; T242-M298 HydrophobicContact CG2-SD 3.38Å; T242-M298 WeakPolarHBondContact CG2-SD 3.26Å
243	F	91.9	Very high	90.1	Very high	41 Å²	41	49 Å²	49	18%	0.18	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-48.4	170.6	-85	-71.1	0	0	0	111.1	Y239 L240 T245 I246 F247 W297 F468 N472	Y239-F243 WeakPolarHBondContact O-CD2 3.43Å; Y239-F243 PolarHBondContact O-N 3.28Å; L240-F243 PolarHBondContact O-N 2.92Å; F243-T245 PolarHBondContact O-N 3.35Å; F243-I246 PolarHBondContact O-N 2.81Å; F243-F247 HydrophobicContact CB-CE2 4.36Å; F243-F247 HydrophobicContact CD1-CE2 4.47Å; F243-F247 WeakPolarHBondContact O-CD2 3.3Å; F243-F247 PolarHBondContact O-N 3.38Å; F243-W297 HydrophobicContact CD1-CH2 4.36Å; F243-W297 HydrophobicContact CD1-CZ2 4.31Å; F243-W297 HydrophobicContact CD2-CZ2 4.02Å; F243-W297 AromaticContact CE1-CH2 3.57Å; F243-W297 HydrophobicContact CE1-CH2 3.57Å; F243-W297 AromaticContact CE1-CZ2 3.92Å; F243-W297 HydrophobicContact CE1-CZ2 3.92Å; F243-W297 AromaticContact CE2-CH2 3.74Å; F243-W297 HydrophobicContact CE2-CH2 3.74Å; F243-W297 AromaticContact CE2-CZ2 3.58Å; F243-W297 HydrophobicContact CE2-CZ2 3.58Å; F243-W297 HydrophobicContact CG-CZ2 4.36Å; F243-W297 AromaticContact CZ-CH2 3.21Å; F243-W297 HydrophobicContact CZ-CH2 3.21Å; F243-W297 AromaticContact CZ-CZ2 3.54Å; F243-W297 HydrophobicContact CZ-CZ2 3.54Å; F243-W297 HydrophobicContact CZ-CZ3 4.28Å; F243-F468 AromaticContact CD1-CE1 3.67Å; F243-F468 HydrophobicContact CD1-CE1 3.67Å; F243-F468 AromaticContact CD1-CZ 3.73Å; F243-F468 HydrophobicContact CD1-CZ 3.73Å; F243-F468 AromaticContact CE1-CE1 3.61Å; F243-F468 HydrophobicContact CE1-CE1 3.61Å; F243-F468 AromaticContact CE1-CZ 3.66Å; F243-F468 HydrophobicContact CE1-CZ 3.66Å; F243-N472 VanDerWaalsContact CE1-OD1 3.24Å; F243-N472 WeakPolarHBondContact CE1-OD1 3.41Å; F243-N472 WeakPolarHBondContact CZ-OD1 3.32Å
244	L	92.5	Very high	89.5	Confident	97 Å²	97	48.1 Å²	48.1	51%	0.508	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-39.8	-178.6	-66.2	175.6	0	0	0	112.3	L240 P241 I246 F247 I248	L240-L244 WeakPolarHBondContact O-CG 3.35Å; L240-L244 PolarHBondContact O-N 3.22Å; L240-L244 VanDerWaalsContact O-N 3.14Å; P241-L244 PolarHBondContact O-N 3.25Å; L244-I246 VanDerWaalsContact C-N 3.31Å; L244-I246 PolarHBondContact O-N 3.12Å; L244-F247 PolarHBondContact O-N 3.45Å; L244-I248 VanDerWaalsContact O-CG1 3.27Å; L244-I248 WeakPolarHBondContact O-CG1 3.23Å; L244-I248 PolarHBondContact O-N 3.1Å
245	T	92.4	Very high	89	Confident	15 Å²	15	49.8 Å²	49.8	9%	0.092	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-37.1	176.6	52.7	0	0	0	0	112.1	P241 T242 F243 I248 S249 A273 M274	P241-T245 WeakPolarHBondContact O-CG2 3.46Å; P241-T245 PolarHBondContact O-N 2.85Å; P241-T245 PolarHBondContact O-OG1 3.24Å; T242-T245 WeakPolarHBondContact CA-OG1 3.5Å; T242-T245 PolarHBondContact O-OG1 2.79Å; F243-T245 PolarHBondContact O-N 3.35Å; T245-I248 PolarHBondContact O-N 3.06Å; T245-S249 PolarHBondContact O-N 3.37Å; T245-A273 HydrophobicContact CG2-CB 4.15Å; T245-M274 PolarHBondContact OG1-SD 3.07Å
246	I	91.1	Very high	88	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.3	-46	175.2	-68.2	168.5	0	0	0	110.8	T242 F243 L244 I248 S249 W250 C301 V305 F468	T242-I246 WeakPolarHBondContact O-CD1 3.13Å; T242-I246 VanDerWaalsContact O-CG1 3.24Å; T242-I246 WeakPolarHBondContact O-CG1 3.1Å; T242-I246 PolarHBondContact O-N 3.4Å; F243-I246 PolarHBondContact O-N 2.81Å; L244-I246 VanDerWaalsContact C-N 3.31Å; L244-I246 PolarHBondContact O-N 3.12Å; I246-I248 VanDerWaalsContact C-N 3.29Å; I246-I248 PolarHBondContact O-N 2.88Å; I246-S249 WeakPolarHBondContact O-CB 3.15Å; I246-S249 PolarHBondContact O-N 3.15Å; I246-S249 PolarHBondContact O-OG 2.96Å; I246-W250 HydrophobicContact CG2-CD2 4.33Å; I246-W250 HydrophobicContact CG2-CH2 4.15Å; I246-W250 HydrophobicContact CG2-CZ2 3.41Å; I246-W250 VanDerWaalsContact CG2-CZ2 3.41Å; I246-W250 PolarHBondContact O-N 2.8Å; I246-C301 HydrophobicContact CD1-CB 3.71Å; I246-C301 WeakPolarHBondContact CD1-SG 3.22Å; I246-V305 HydrophobicContact CG1-CG2 4.33Å; I246-F468 HydrophobicContact CD1-CD2 4.17Å; I246-F468 HydrophobicContact CD1-CE1 4.45Å; I246-F468 HydrophobicContact CD1-CE2 3.32Å; I246-F468 HydrophobicContact CD1-CZ 3.47Å; I246-F468 VanDerWaalsContact CD1-CZ 3.47Å; I246-F468 HydrophobicContact CG2-CD1 4.44Å; I246-F468 HydrophobicContact CG2-CD2 4.37Å; I246-F468 HydrophobicContact CG2-CE1 4.34Å; I246-F468 HydrophobicContact CG2-CE2 4.34Å; I246-F468 HydrophobicContact CG2-CG 4.42Å; I246-F468 HydrophobicContact CG2-CZ 4.3Å
247	F	88.8	Confident	87.1	Confident	103 Å²	103	45.2 Å²	45.2	45%	0.452	25%	0.251	S	S	.	.	H	α-helix	trans	-59.2	-41.1	175.3	-73.6	-65.8	0	0	0	112.1	F243 L244 S249 W250 I251	F243-F247 HydrophobicContact CB-CE2 4.36Å; F243-F247 HydrophobicContact CD1-CE2 4.47Å; F243-F247 WeakPolarHBondContact O-CD2 3.3Å; F243-F247 PolarHBondContact O-N 3.38Å; L244-F247 PolarHBondContact O-N 3.45Å; F247-S249 VanDerWaalsContact C-N 3.29Å; F247-S249 PolarHBondContact O-N 2.7Å; F247-W250 AromaticContact CD1-CE3 3.7Å; F247-W250 HydrophobicContact CD1-CE3 3.7Å; F247-W250 AromaticContact CD1-CZ3 3.63Å; F247-W250 HydrophobicContact CD1-CZ3 3.63Å; F247-W250 HydrophobicContact CE1-CE3 4.07Å; F247-W250 HydrophobicContact CE1-CH2 4.34Å; F247-W250 AromaticContact CE1-CZ3 3.52Å; F247-W250 HydrophobicContact CE1-CZ3 3.52Å; F247-W250 HydrophobicContact CZ-CZ3 4.5Å; F247-W250 PolarHBondContact O-N 2.68Å; F247-W250 VanDerWaalsContact O-N 3.12Å; F247-I251 WeakPolarHBondContact O-CG1 3.48Å; F247-I251 PolarHBondContact O-N 2.66Å
248	I	88.9	Confident	86.3	Confident	77 Å²	77	50 Å²	50	40%	0.395	27%	0.27	S	S	.	.	H	α-helix	trans	-61.1	-39.4	175.1	-68.6	164.7	0	0	0	111.2	L244 T245 I246 W250 I251 L266	L244-I248 VanDerWaalsContact O-CG1 3.27Å; L244-I248 WeakPolarHBondContact O-CG1 3.23Å; L244-I248 PolarHBondContact O-N 3.1Å; T245-I248 PolarHBondContact O-N 3.06Å; I246-I248 VanDerWaalsContact C-N 3.29Å; I246-I248 PolarHBondContact O-N 2.88Å; I248-W250 PolarHBondContact O-N 2.89Å; I248-I251 WeakPolarHBondContact O-CB 3.48Å; I248-I251 PolarHBondContact O-N 2.85Å; I248-L266 HydrophobicContact CG2-CD2 4.34Å
249	S	88.1	Confident	85.9	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.007	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-32.9	176.5	79.8	0	0	0	0	112.4	T245 I246 F247 A252	T245-S249 PolarHBondContact O-N 3.37Å; I246-S249 WeakPolarHBondContact O-CB 3.15Å; I246-S249 PolarHBondContact O-N 3.15Å; I246-S249 PolarHBondContact O-OG 2.96Å; F247-S249 VanDerWaalsContact C-N 3.29Å; F247-S249 PolarHBondContact O-N 2.7Å; S249-A252 VanDerWaalsContact O-CB 3.28Å; S249-A252 WeakPolarHBondContact O-CB 3.38Å; S249-A252 PolarHBondContact O-N 3.08Å
250	W	85.6	Confident	85.5	Confident	27 Å²	27	54.4 Å²	54.4	10%	0.102	30%	0.298	C	S	.	.	H	α-helix	trans	-77.3	-27.6	178.6	-59.2	-12.8	0	0	0	113.6	I246 F247 I248 A252 F253 P465 F468	I246-W250 HydrophobicContact CG2-CD2 4.33Å; I246-W250 HydrophobicContact CG2-CH2 4.15Å; I246-W250 HydrophobicContact CG2-CZ2 3.41Å; I246-W250 VanDerWaalsContact CG2-CZ2 3.41Å; I246-W250 PolarHBondContact O-N 2.8Å; F247-W250 AromaticContact CD1-CE3 3.7Å; F247-W250 HydrophobicContact CD1-CE3 3.7Å; F247-W250 AromaticContact CD1-CZ3 3.63Å; F247-W250 HydrophobicContact CD1-CZ3 3.63Å; F247-W250 HydrophobicContact CE1-CE3 4.07Å; F247-W250 HydrophobicContact CE1-CH2 4.34Å; F247-W250 AromaticContact CE1-CZ3 3.52Å; F247-W250 HydrophobicContact CE1-CZ3 3.52Å; F247-W250 HydrophobicContact CZ-CZ3 4.5Å; F247-W250 PolarHBondContact O-N 2.68Å; F247-W250 VanDerWaalsContact O-N 3.12Å; I248-W250 PolarHBondContact O-N 2.89Å; W250-A252 PolarHBondContact O-N 3.27Å; W250-A252 VanDerWaalsContact O-N 3.15Å; W250-F253 HydrophobicContact CB-CD2 4.13Å; W250-F253 HydrophobicContact CB-CE2 4.39Å; W250-F253 AromaticContact CD1-CE2 3.79Å; W250-F253 HydrophobicContact CG-CE2 4.33Å; W250-F253 WeakPolarHBondContact O-CB 3.47Å; W250-F253 WeakPolarHBondContact O-CD2 3.28Å; W250-F253 PolarHBondContact O-N 2.89Å; W250-P465 HydrophobicContact CD2-CG 3.91Å; W250-P465 HydrophobicContact CE3-CB 4.06Å; W250-P465 HydrophobicContact CE3-CG 3.66Å; W250-P465 VanDerWaalsContact CH2-CA 3.5Å; W250-P465 HydrophobicContact CH2-CB 3.84Å; W250-P465 HydrophobicContact CH2-CG 4.2Å; W250-P465 HydrophobicContact CZ2-CB 4.39Å; W250-P465 HydrophobicContact CZ2-CG 4.44Å; W250-P465 HydrophobicContact CZ3-CB 3.65Å; W250-P465 HydrophobicContact CZ3-CG 3.8Å; W250-F468 HydrophobicContact CH2-CB 3.78Å; W250-F468 AromaticContact CH2-CD1 3.54Å; W250-F468 HydrophobicContact CH2-CD1 3.54Å; W250-F468 HydrophobicContact CH2-CE1 4.41Å; W250-F468 AromaticContact CH2-CG 3.91Å; W250-F468 HydrophobicContact CH2-CG 3.91Å; W250-F468 HydrophobicContact CZ2-CB 3.51Å; W250-F468 AromaticContact CZ2-CD1 3.83Å; W250-F468 HydrophobicContact CZ2-CD1 3.83Å; W250-F468 AromaticContact CZ2-CG 3.74Å; W250-F468 HydrophobicContact CZ2-CG 3.74Å
251	I	84.6	Confident	85.2	Confident	94 Å²	94	55.5 Å²	55.5	48%	0.482	31%	0.31	S	S	.	.	H	α-helix	trans	-57.8	-28.7	173.1	-64.8	171.8	0	0	0	110.3	F247 I248 F253 C254 L255	F247-I251 WeakPolarHBondContact O-CG1 3.48Å; F247-I251 PolarHBondContact O-N 2.66Å; I248-I251 WeakPolarHBondContact O-CB 3.48Å; I248-I251 PolarHBondContact O-N 2.85Å; I251-F253 PolarHBondContact O-N 3.12Å; I251-C254 PolarHBondContact O-N 3.49Å; I251-L255 PolarHBondContact O-N 3.33Å
252	A	83.9	Confident	85.1	Confident	9 Å²	9	55.6 Å²	55.6	7%	0.074	31%	0.313	C	S	.	.	H	α-helix	trans	-61	-26.4	174.7	0	0	0	0	0	113.4	S249 W250 R263 L266	S249-A252 VanDerWaalsContact O-CB 3.28Å; S249-A252 WeakPolarHBondContact O-CB 3.38Å; S249-A252 PolarHBondContact O-N 3.08Å; W250-A252 PolarHBondContact O-N 3.27Å; W250-A252 VanDerWaalsContact O-N 3.15Å; A252-R263 HydrophobicContact CB-CB 4.5Å; A252-R263 HydrophobicContact CB-CG 4.44Å; A252-R263 WeakPolarHBondContact O-CD 3.41Å; A252-R263 WeakPolarHBondContact O-CG 3.33Å; A252-R263 PolarHBondContact O-NE 3.2Å; A252-L266 HydrophobicContact CB-CB 4.43Å; A252-L266 HydrophobicContact CB-CD1 4.37Å
253	F	83.7	Confident	84.9	Confident	13 Å²	13	55.7 Å²	55.7	6%	0.057	31%	0.314	C	S	.	.	H	α-helix	trans	-75.5	-28.6	174.3	-54.2	-46.9	0	0	0	112.5	W250 I251 L255 E311 F464	W250-F253 HydrophobicContact CB-CD2 4.13Å; W250-F253 HydrophobicContact CB-CE2 4.39Å; W250-F253 AromaticContact CD1-CE2 3.79Å; W250-F253 HydrophobicContact CG-CE2 4.33Å; W250-F253 WeakPolarHBondContact O-CB 3.47Å; W250-F253 WeakPolarHBondContact O-CD2 3.28Å; W250-F253 PolarHBondContact O-N 2.89Å; I251-F253 PolarHBondContact O-N 3.12Å; F253-L255 VanDerWaalsContact C-N 3.31Å; F253-E311 HydrophobicContact CE1-CB 4.38Å; F253-E311 HydrophobicContact CE1-CG 4.25Å; F253-E311 WeakPolarHBondContact CE1-OE2 3.34Å; F253-F464 HydrophobicContact CE1-CE2 4.48Å; F253-F464 HydrophobicContact CE2-CB 3.95Å; F253-F464 HydrophobicContact CE2-CD1 4.49Å; F253-F464 AromaticContact CE2-CD2 3.81Å; F253-F464 HydrophobicContact CE2-CD2 3.81Å; F253-F464 HydrophobicContact CE2-CE2 4.42Å; F253-F464 AromaticContact CE2-CG 3.85Å; F253-F464 HydrophobicContact CE2-CG 3.85Å; F253-F464 HydrophobicContact CZ-CD1 4.36Å; F253-F464 AromaticContact CZ-CD2 3.7Å; F253-F464 HydrophobicContact CZ-CD2 3.7Å; F253-F464 HydrophobicContact CZ-CE1 4.46Å; F253-F464 AromaticContact CZ-CE2 3.84Å; F253-F464 HydrophobicContact CZ-CE2 3.84Å; F253-F464 AromaticContact CZ-CG 3.97Å; F253-F464 HydrophobicContact CZ-CG 3.97Å; F253-F464 HydrophobicContact CZ-CZ 4.22Å
254	C	80	Confident	84.9	Confident	96 Å²	96	56.4 Å²	56.4	65%	0.649	32%	0.322	S	S	*	.	H	α-helix	trans	-77.8	-19.3	177.4	-57.2	0	0	0	0	112.6	I251	I251-C254 PolarHBondContact O-N 3.49Å
255	L	79.8	Confident	84.8	Confident	64 Å²	64	57.1 Å²	57.1	34%	0.335	32%	0.324	S	S	.	.	S	Bend	trans	-74.4	125.2	173.8	-66.5	172.7	0	0	0	109.7	I251 F253 R263 L266	I251-L255 PolarHBondContact O-N 3.33Å; F253-L255 VanDerWaalsContact C-N 3.31Å; L255-R263 HydrophobicContact CB-CG 4.08Å; L255-R263 HydrophobicContact CD1-CG 4.39Å; L255-L266 HydrophobicContact CD1-CD1 3.52Å
256	G	72.4	Confident	84.8	Confident	51 Å²	51	58.5 Å²	58.5	53%	0.526	33%	0.33	S	S	.	.			trans	-53.5	147.1	-177.6	0	0	0	0	0	113.4	K258 A259	G256-K258 PolarHBondContact O-N 3.4Å; G256-A259 PolarHBondContact O-N 2.85Å; G256-A259 VanDerWaalsContact O-N 3.12Å
257	T	72.6	Confident	84.8	Confident	25 Å²	25	58.7 Å²	58.7	15%	0.153	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-20.2	-176.3	49	0	0	0	0	115.5	V315 A453 L454 D457	T257-V315 HydrophobicContact CG2-CG1 4.36Å; T257-A453 HydrophobicContact CG2-CB 4.37Å; T257-L454 HydrophobicContact CG2-CD2 3.59Å; T257-L454 HydrophobicContact CG2-CG 4.01Å; T257-D457 WeakPolarHBondContact CG2-OD2 3.4Å
258	K	72.8	Confident	85	Confident	204 Å²	204	57.2 Å²	57.2	89%	0.887	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-19.4	-177.3	-60.9	-174	179	-178.4	0	114	G256 I260	G256-K258 PolarHBondContact O-N 3.4Å; K258-I260 PolarHBondContact O-N 2.8Å
259	A	82.7	Confident	85.2	Confident	42 Å²	42	57.9 Å²	57.9	35%	0.347	34%	0.336	S	S	.	.			trans	-100.5	53	-176.2	0	0	0	0	0	113.1	G256 P261 A262 R263	G256-A259 PolarHBondContact O-N 2.85Å; G256-A259 VanDerWaalsContact O-N 3.12Å; A259-P261 VanDerWaalsContact C-CD 3.47Å; A259-A262 HydrophobicContact CB-CB 4.28Å; A259-A262 PolarHBondContact O-N 3.47Å; A259-A262 VanDerWaalsContact O-N 3.17Å; A259-R263 PolarHBondContact O-N 2.89Å
260	I	84.4	Confident	85.4	Confident	62 Å²	62	58.1 Å²	58.1	32%	0.318	34%	0.338	S	S	.	.	H	α-helix	trans	-51.6	-46.2	-178.3	-56.8	174.5	0	0	0	112.8	K258 A262 R263 T264	K258-I260 PolarHBondContact O-N 2.8Å; I260-A262 VanDerWaalsContact C-N 3.32Å; I260-A262 PolarHBondContact O-N 2.71Å; I260-R263 PolarHBondContact O-N 2.72Å; I260-T264 PolarHBondContact O-N 2.85Å; I260-T264 PolarHBondContact O-OG1 2.88Å; I260-T264 VanDerWaalsContact O-OG1 3.11Å
261	P	88.3	Confident	85.8	Confident	106 Å²	106	58.7 Å²	58.7	69%	0.688	34%	0.343	S	S	*	.	H	α-helix	trans	-60.6	-38.6	-178.8	-24.1	34.9	0	0	0	113.6	A259 T264 M265	A259-P261 VanDerWaalsContact C-CD 3.47Å; P261-T264 PolarHBondContact O-N 3.35Å; P261-M265 WeakPolarHBondContact O-CB 3.17Å; P261-M265 PolarHBondContact O-N 2.82Å
262	A	89.7	Confident	86.3	Confident	39 Å²	39	58.3 Å²	58.3	32%	0.322	34%	0.341	S	S	.	.	H	α-helix	trans	-67.4	-42.7	178.8	0	0	0	0	0	111.2	A259 I260 M265 L266	A259-A262 HydrophobicContact CB-CB 4.28Å; A259-A262 PolarHBondContact O-N 3.47Å; A259-A262 VanDerWaalsContact O-N 3.17Å; I260-A262 VanDerWaalsContact C-N 3.32Å; I260-A262 PolarHBondContact O-N 2.71Å; A262-M265 PolarHBondContact O-N 3.07Å; A262-L266 WeakPolarHBondContact O-CG 3.46Å; A262-L266 PolarHBondContact O-N 2.68Å; A262-L266 VanDerWaalsContact O-N 3.09Å
263	R	89.7	Confident	86.8	Confident	3 Å²	3	59.4 Å²	59.4	1%	0.011	35%	0.35	C	S	.	.	H	α-helix	trans	-62.7	-43.9	176	-68.9	179.3	62.7	173.7	-5.6	111.8	A252 L255 A259 I260 M265 L266 G267 E311 L312 D457	A252-R263 HydrophobicContact CB-CB 4.5Å; A252-R263 HydrophobicContact CB-CG 4.44Å; A252-R263 WeakPolarHBondContact O-CD 3.41Å; A252-R263 WeakPolarHBondContact O-CG 3.33Å; A252-R263 PolarHBondContact O-NE 3.2Å; L255-R263 HydrophobicContact CB-CG 4.08Å; L255-R263 HydrophobicContact CD1-CG 4.39Å; A259-R263 PolarHBondContact O-N 2.89Å; I260-R263 PolarHBondContact O-N 2.72Å; R263-M265 VanDerWaalsContact C-N 3.35Å; R263-M265 PolarHBondContact O-N 2.87Å; R263-L266 PolarHBondContact O-N 2.89Å; R263-G267 PolarHBondContact O-N 2.56Å; R263-G267 VanDerWaalsContact O-N 3.1Å; R263-E311 IonicContact NH2-OE2 2.7Å; R263-E311 PolarHBondContact NH2-OE2 3.3Å; R263-L312 HydrophobicContact CB-CD1 3.62Å; R263-L312 HydrophobicContact CB-CD2 3.99Å; R263-L312 HydrophobicContact CB-CG 4.47Å; R263-L312 HydrophobicContact CG-CD1 4.45Å; R263-D457 IonicContact CZ-OD1 3.31Å; R263-D457 VanDerWaalsContact CZ-OD1 3.31Å; R263-D457 IonicContact CZ-OD2 3.72Å; R263-D457 IonicContact NH1-OD1 3.04Å; R263-D457 PolarHBondContact NH1-OD1 2.68Å; R263-D457 IonicContact NH1-OD2 2.74Å; R263-D457 PolarHBondContact NH1-OD2 3.44Å; R263-D457 IonicContact NH2-OD1 2.88Å; R263-D457 PolarHBondContact NH2-OD1 3.18Å; R263-D457 IonicContact NH2-OD2 3.05Å
264	T	90.3	Very high	87.2	Confident	57 Å²	57	58.9 Å²	58.9	35%	0.35	35%	0.348	S	S	.	.	H	α-helix	trans	-62.2	-43.6	177.5	-55.1	0	0	0	0	111.3	I260 P261 L266 G267 V268 L312	I260-T264 PolarHBondContact O-N 2.85Å; I260-T264 PolarHBondContact O-OG1 2.88Å; I260-T264 VanDerWaalsContact O-OG1 3.11Å; P261-T264 PolarHBondContact O-N 3.35Å; T264-L266 PolarHBondContact O-N 2.83Å; T264-G267 PolarHBondContact O-N 3.5Å; T264-V268 HydrophobicContact CG2-CG2 4.08Å; T264-V268 WeakPolarHBondContact O-CB 3.27Å; T264-V268 VanDerWaalsContact O-CG2 3.29Å; T264-V268 WeakPolarHBondContact O-CG2 3.43Å; T264-V268 PolarHBondContact O-N 2.84Å; T264-L312 VanDerWaalsContact CA-CD2 3.48Å
265	M	91.7	Very high	87.9	Confident	111 Å²	111	57.3 Å²	57.3	55%	0.547	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-45.3	178.3	-175	179.7	69.9	0	0	112	P261 A262 R263 N269	P261-M265 WeakPolarHBondContact O-CB 3.17Å; P261-M265 PolarHBondContact O-N 2.82Å; A262-M265 PolarHBondContact O-N 3.07Å; R263-M265 VanDerWaalsContact C-N 3.35Å; R263-M265 PolarHBondContact O-N 2.87Å; M265-N269 WeakPolarHBondContact O-CB 3.33Å; M265-N269 PolarHBondContact O-N 2.84Å; M265-N269 PolarHBondContact O-ND2 3.41Å
266	L	91.4	Very high	88.5	Confident	45 Å²	45	61 Å²	61	24%	0.236	35%	0.349	C	S	.	.	H	α-helix	trans	-62.7	-46.7	178.2	-70.5	175	0	0	0	112.3	I248 A252 L255 A262 R263 T264 A270	I248-L266 HydrophobicContact CG2-CD2 4.34Å; A252-L266 HydrophobicContact CB-CB 4.43Å; A252-L266 HydrophobicContact CB-CD1 4.37Å; L255-L266 HydrophobicContact CD1-CD1 3.52Å; A262-L266 WeakPolarHBondContact O-CG 3.46Å; A262-L266 PolarHBondContact O-N 2.68Å; A262-L266 VanDerWaalsContact O-N 3.09Å; R263-L266 PolarHBondContact O-N 2.89Å; T264-L266 PolarHBondContact O-N 2.83Å; L266-A270 WeakPolarHBondContact O-CB 3.22Å; L266-A270 PolarHBondContact O-N 2.86Å
267	G	91	Very high	89.5	Confident	3 Å²	3	60.9 Å²	60.9	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-43.4	-178.8	0	0	0	0	0	113.3	R263 T264 A270 L271	R263-G267 PolarHBondContact O-N 2.56Å; R263-G267 VanDerWaalsContact O-N 3.1Å; T264-G267 PolarHBondContact O-N 3.5Å; G267-A270 PolarHBondContact O-N 2.04Å; G267-L271 PolarHBondContact O-N 2.89Å
268	V	92.8	Very high	90.4	Very high	73 Å²	73	62.3 Å²	62.3	44%	0.442	34%	0.339	S	S	.	.	H	α-helix	trans	-67.2	-41.5	178.7	173.9	0	0	0	0	111	T264 A270 L271 L272 L309	T264-V268 HydrophobicContact CG2-CG2 4.08Å; T264-V268 WeakPolarHBondContact O-CB 3.27Å; T264-V268 VanDerWaalsContact O-CG2 3.29Å; T264-V268 WeakPolarHBondContact O-CG2 3.43Å; T264-V268 PolarHBondContact O-N 2.84Å; V268-A270 VanDerWaalsContact C-N 3.34Å; V268-A270 PolarHBondContact O-N 3.33Å; V268-L271 PolarHBondContact O-N 2.86Å; V268-L272 WeakPolarHBondContact O-CB 3.36Å; V268-L272 PolarHBondContact O-N 2.93Å; V268-L309 HydrophobicContact CG2-CD2 4.32Å
269	N	93.3	Very high	91.4	Very high	90 Å²	90	53.8 Å²	53.8	48%	0.481	31%	0.309	S	S	.	.	H	α-helix	trans	-64.6	-38.5	176.2	-72.5	-10.7	0	0	0	112	M265 L272 A273	M265-N269 WeakPolarHBondContact O-CB 3.33Å; M265-N269 PolarHBondContact O-N 2.84Å; M265-N269 PolarHBondContact O-ND2 3.41Å; N269-L272 PolarHBondContact O-N 3.41Å; N269-A273 WeakPolarHBondContact O-CB 3.3Å; N269-A273 PolarHBondContact O-N 2.96Å
270	A	92.8	Very high	91.8	Very high	6 Å²	6	55.9 Å²	55.9	5%	0.05	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-43.5	175.2	0	0	0	0	0	111.8	L266 G267 V268 A273 M274 V305	L266-A270 WeakPolarHBondContact O-CB 3.22Å; L266-A270 PolarHBondContact O-N 2.86Å; G267-A270 PolarHBondContact O-N 2.04Å; V268-A270 VanDerWaalsContact C-N 3.34Å; V268-A270 PolarHBondContact O-N 3.33Å; A270-A273 PolarHBondContact O-N 2.87Å; A270-M274 WeakPolarHBondContact O-CG 3.44Å; A270-M274 PolarHBondContact O-N 3Å; A270-V305 HydrophobicContact CB-CG1 3.98Å
271	L	93.7	Very high	92.1	Very high	40 Å²	40	53.9 Å²	53.9	21%	0.209	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-41.1	178	-175.7	62.3	0	0	0	111.9	G267 V268 M274 T275 M302 V305 L309	G267-L271 PolarHBondContact O-N 2.89Å; V268-L271 PolarHBondContact O-N 2.86Å; L271-M274 PolarHBondContact O-N 2.95Å; L271-T275 PolarHBondContact O-N 2.95Å; L271-T275 PolarHBondContact O-OG1 2.78Å; L271-M302 HydrophobicContact CD1-CE 3.86Å; L271-M302 HydrophobicContact CD1-CG 3.78Å; L271-V305 HydrophobicContact CB-CG1 3.96Å; L271-V305 HydrophobicContact CD1-CG1 4.35Å; L271-L309 HydrophobicContact CB-CD1 4.27Å; L271-L309 HydrophobicContact CD2-CD1 3.86Å
272	L	94.8	Very high	92.2	Very high	86 Å²	86	52.1 Å²	52.1	45%	0.45	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-44.9	175.5	-178.3	61.3	0	0	0	111.3	V268 N269 M274 T275 F276	V268-L272 WeakPolarHBondContact O-CB 3.36Å; V268-L272 PolarHBondContact O-N 2.93Å; N269-L272 PolarHBondContact O-N 3.41Å; L272-M274 PolarHBondContact O-N 3.18Å; L272-T275 PolarHBondContact O-N 3.14Å; L272-F276 HydrophobicContact CD1-CD2 3.96Å; L272-F276 HydrophobicContact CD1-CE2 3.37Å; L272-F276 HydrophobicContact CD1-CZ 3.74Å; L272-F276 HydrophobicContact CD2-CE2 3.89Å; L272-F276 HydrophobicContact CG-CD2 3.82Å; L272-F276 HydrophobicContact CG-CE2 3.37Å; L272-F276 HydrophobicContact CG-CZ 4.23Å; L272-F276 WeakPolarHBondContact O-CD2 3.43Å; L272-F276 PolarHBondContact O-N 3.29Å
273	A	94.3	Very high	92.2	Very high	32 Å²	32	60 Å²	60	26%	0.264	31%	0.311	S	S	.	.	H	α-helix	trans	-59.6	-44.8	175.7	0	0	0	0	0	112.2	T245 N269 A270 T275 F276 Q277	T245-A273 HydrophobicContact CG2-CB 4.15Å; N269-A273 WeakPolarHBondContact O-CB 3.3Å; N269-A273 PolarHBondContact O-N 2.96Å; A270-A273 PolarHBondContact O-N 2.87Å; A273-T275 VanDerWaalsContact C-N 3.34Å; A273-T275 PolarHBondContact O-N 3.03Å; A273-F276 PolarHBondContact O-N 3.11Å; A273-Q277 WeakPolarHBondContact O-CG 3.31Å; A273-Q277 PolarHBondContact O-N 2.87Å
274	M	93.2	Very high	92.2	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-61.9	-40.7	175.8	-74.2	-59.8	-60	0	0	112.4	T242 T245 A270 L271 L272 Q277 F278 M298 C301 V305	T242-M274 HydrophobicContact CG2-CE 3.92Å; T242-M274 HydrophobicContact CG2-SD 3.98Å; T245-M274 PolarHBondContact OG1-SD 3.07Å; A270-M274 WeakPolarHBondContact O-CG 3.44Å; A270-M274 PolarHBondContact O-N 3Å; L271-M274 PolarHBondContact O-N 2.95Å; L272-M274 PolarHBondContact O-N 3.18Å; M274-Q277 PolarHBondContact O-N 2.75Å; M274-F278 WeakPolarHBondContact O-CB 3.46Å; M274-F278 PolarHBondContact O-N 3.28Å; M274-M298 HydrophobicContact CE-CE 3.9Å; M274-M298 HydrophobicContact CE-SD 4.25Å; M274-C301 HydrophobicContact CE-CB 3.46Å; M274-C301 VanDerWaalsContact CE-CB 3.46Å; M274-V305 HydrophobicContact CG-CG2 4.27Å
275	T	93.3	Very high	92.1	Very high	64 Å²	64	61.8 Å²	61.8	39%	0.393	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-41.7	177.9	-54	0	0	0	0	111.3	L271 L272 A273 G279 M302	L271-T275 PolarHBondContact O-N 2.95Å; L271-T275 PolarHBondContact O-OG1 2.78Å; L272-T275 PolarHBondContact O-N 3.14Å; A273-T275 VanDerWaalsContact C-N 3.34Å; A273-T275 PolarHBondContact O-N 3.03Å; T275-G279 PolarHBondContact O-N 3.38Å; T275-M302 WeakPolarHBondContact OG1-CE 3.07Å
276	F	93.1	Very high	92.1	Very high	142 Å²	142	57.4 Å²	57.4	62%	0.623	30%	0.298	S	S	*	.	H	α-helix	trans	-66	-43.1	175.5	-74.5	-52.8	0	0	0	112.7	L272 A273 F278 G279 N280	L272-F276 HydrophobicContact CD1-CD2 3.96Å; L272-F276 HydrophobicContact CD1-CE2 3.37Å; L272-F276 HydrophobicContact CD1-CZ 3.74Å; L272-F276 HydrophobicContact CD2-CE2 3.89Å; L272-F276 HydrophobicContact CG-CD2 3.82Å; L272-F276 HydrophobicContact CG-CE2 3.37Å; L272-F276 HydrophobicContact CG-CZ 4.23Å; L272-F276 WeakPolarHBondContact O-CD2 3.43Å; L272-F276 PolarHBondContact O-N 3.29Å; A273-F276 PolarHBondContact O-N 3.11Å; F276-F278 VanDerWaalsContact C-N 3.35Å; F276-F278 PolarHBondContact O-N 2.86Å; F276-G279 PolarHBondContact O-N 3.01Å; F276-N280 PolarHBondContact O-N 2.91Å
277	Q	92.8	Very high	92	Very high	48 Å²	48	66.9 Å²	66.9	22%	0.224	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-43.6	176.8	-74.2	171.8	-2.9	0	0	111.5	P241 A273 M274 G279 N280 V281 M298	P241-Q277 VanDerWaalsContact CB-NE2 3.29Å; A273-Q277 WeakPolarHBondContact O-CG 3.31Å; A273-Q277 PolarHBondContact O-N 2.87Å; M274-Q277 PolarHBondContact O-N 2.75Å; Q277-G279 VanDerWaalsContact C-N 3.34Å; Q277-G279 PolarHBondContact O-N 3.11Å; Q277-N280 PolarHBondContact O-N 2.85Å; Q277-N280 VanDerWaalsContact O-N 3.17Å; Q277-V281 WeakPolarHBondContact O-CG2 3.28Å; Q277-V281 PolarHBondContact O-N 2.82Å; Q277-M298 HydrophobicContact CB-CE 3.78Å
278	F	92.8	Very high	92	Very high	54 Å²	54	68.9 Å²	68.9	24%	0.237	34%	0.342	C	S	.	.	H	α-helix	trans	-60.3	-44.3	175.4	-176	-116.5	0	0	0	111.8	M274 F276 N280 V281 I282 M298 L299	M274-F278 WeakPolarHBondContact O-CB 3.46Å; M274-F278 PolarHBondContact O-N 3.28Å; F276-F278 VanDerWaalsContact C-N 3.35Å; F276-F278 PolarHBondContact O-N 2.86Å; F278-N280 VanDerWaalsContact C-N 3.31Å; F278-N280 PolarHBondContact O-N 2.77Å; F278-V281 PolarHBondContact O-N 2.85Å; F278-I282 HydrophobicContact CD1-CD1 3.7Å; F278-I282 HydrophobicContact CD2-CD1 4.2Å; F278-I282 HydrophobicContact CE1-CD1 3.31Å; F278-I282 HydrophobicContact CE2-CD1 3.85Å; F278-I282 HydrophobicContact CE2-CG1 4.4Å; F278-I282 HydrophobicContact CG-CD1 4.15Å; F278-I282 HydrophobicContact CZ-CD1 3.42Å; F278-I282 VanDerWaalsContact CZ-CD1 3.42Å; F278-I282 HydrophobicContact CZ-CG1 4.39Å; F278-I282 WeakPolarHBondContact O-CG1 3.42Å; F278-I282 PolarHBondContact O-N 2.88Å; F278-I282 VanDerWaalsContact O-N 3.07Å; F278-M298 HydrophobicContact CB-CE 3.91Å; F278-M298 HydrophobicContact CD2-CB 3.6Å; F278-M298 HydrophobicContact CD2-CG 4.09Å; F278-M298 HydrophobicContact CE2-CB 4.1Å; F278-L299 HydrophobicContact CZ-CD2 4.38Å
279	G	92.5	Very high	91.9	Very high	26 Å²	26	71.7 Å²	71.7	27%	0.268	37%	0.365	S	S	.	.	H	α-helix	trans	-61.9	-35.1	174.9	0	0	0	0	0	113.7	T275 F276 Q277 R283	T275-G279 PolarHBondContact O-N 3.38Å; F276-G279 PolarHBondContact O-N 3.01Å; Q277-G279 VanDerWaalsContact C-N 3.34Å; Q277-G279 PolarHBondContact O-N 3.11Å; G279-R283 VanDerWaalsContact O-CG 3.28Å; G279-R283 WeakPolarHBondContact O-CG 3.27Å; G279-R283 PolarHBondContact O-N 2.78Å
280	N	91.9	Very high	91.9	Very high	86 Å²	86	71.2 Å²	71.2	46%	0.46	36%	0.357	S	S	.	.	H	α-helix	trans	-69.5	-46.1	176.4	-169.3	42.2	0	0	0	111.7	F276 Q277 F278 I282 R283 N284	F276-N280 PolarHBondContact O-N 2.91Å; Q277-N280 PolarHBondContact O-N 2.85Å; Q277-N280 VanDerWaalsContact O-N 3.17Å; F278-N280 VanDerWaalsContact C-N 3.31Å; F278-N280 PolarHBondContact O-N 2.77Å; N280-I282 VanDerWaalsContact C-N 3.35Å; N280-I282 PolarHBondContact O-N 2.87Å; N280-R283 PolarHBondContact O-N 2.82Å; N280-N284 PolarHBondContact O-N 2.97Å; N280-N284 PolarHBondContact O-ND2 2.87Å
281	V	91.4	Very high	91.9	Very high	19 Å²	19	75.5 Å²	75.5	12%	0.115	38%	0.383	C	S	.	.	H	α-helix	trans	-59.8	-44.2	178.5	170.8	0	0	0	0	111.3	A238 Q277 F278 R283 N284 L285 I294	A238-V281 HydrophobicContact CB-CG2 4.16Å; Q277-V281 WeakPolarHBondContact O-CG2 3.28Å; Q277-V281 PolarHBondContact O-N 2.82Å; F278-V281 PolarHBondContact O-N 2.85Å; V281-R283 VanDerWaalsContact C-N 3.28Å; V281-R283 PolarHBondContact O-N 2.85Å; V281-N284 PolarHBondContact O-N 2.69Å; V281-L285 HydrophobicContact CG1-CD1 3.76Å; V281-L285 WeakPolarHBondContact O-CG 3.39Å; V281-I294 HydrophobicContact CG1-CD1 3.57Å; V281-I294 HydrophobicContact CG1-CG1 4.08Å; V281-I294 HydrophobicContact CG1-CG2 4.4Å; V281-I294 HydrophobicContact CG2-CD1 4.41Å
282	I	90.1	Very high	91.9	Very high	70 Å²	70	74.2 Å²	74.2	36%	0.359	38%	0.375	S	S	.	.	H	α-helix	trans	-63.2	-32.2	179.2	-72.4	170	0	0	0	112.5	F278 N280 N284	F278-I282 HydrophobicContact CD1-CD1 3.7Å; F278-I282 HydrophobicContact CD2-CD1 4.2Å; F278-I282 HydrophobicContact CE1-CD1 3.31Å; F278-I282 HydrophobicContact CE2-CD1 3.85Å; F278-I282 HydrophobicContact CE2-CG1 4.4Å; F278-I282 HydrophobicContact CG-CD1 4.15Å; F278-I282 HydrophobicContact CZ-CD1 3.42Å; F278-I282 VanDerWaalsContact CZ-CD1 3.42Å; F278-I282 HydrophobicContact CZ-CG1 4.39Å; F278-I282 WeakPolarHBondContact O-CG1 3.42Å; F278-I282 PolarHBondContact O-N 2.88Å; F278-I282 VanDerWaalsContact O-N 3.07Å; N280-I282 VanDerWaalsContact C-N 3.35Å; N280-I282 PolarHBondContact O-N 2.87Å; I282-N284 VanDerWaalsContact C-N 3.34Å
283	R	89.7	Confident	91.8	Very high	204 Å²	204	70.1 Å²	70.1	77%	0.77	35%	0.354	S	S	*	.	H	α-helix	trans	-72.7	-28.4	-179.1	-73.3	172.4	-169.4	-174.1	3.1	113.1	G279 N280 V281 L285	G279-R283 VanDerWaalsContact O-CG 3.28Å; G279-R283 WeakPolarHBondContact O-CG 3.27Å; G279-R283 PolarHBondContact O-N 2.78Å; N280-R283 PolarHBondContact O-N 2.82Å; V281-R283 VanDerWaalsContact C-N 3.28Å; V281-R283 PolarHBondContact O-N 2.85Å; R283-L285 VanDerWaalsContact C-N 3.33Å
284	N	88.6	Confident	91.7	Very high	85 Å²	85	68.7 Å²	68.7	46%	0.455	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.9	-179.1	-64.8	-29.5	0	0	0	113	N280 V281 I282	N280-N284 PolarHBondContact O-N 2.97Å; N280-N284 PolarHBondContact O-ND2 2.87Å; V281-N284 PolarHBondContact O-N 2.69Å; I282-N284 VanDerWaalsContact C-N 3.34Å
285	L	89.3	Confident	91.8	Very high	13 Å²	13	69.5 Å²	69.5	7%	0.068	35%	0.346	C	S	.	.	S	Bend	trans	-117.2	149.8	-177	-63.9	172.8	0	0	0	111.2	F157 V281 R283 I294	F157-L285 HydrophobicContact CD1-CD1 4.05Å; F157-L285 HydrophobicContact CD1-CD2 4.28Å; F157-L285 HydrophobicContact CD2-CD2 4.32Å; F157-L285 HydrophobicContact CE1-CD1 3.67Å; F157-L285 HydrophobicContact CE1-CD2 3.56Å; F157-L285 HydrophobicContact CE1-CG 4.26Å; F157-L285 HydrophobicContact CE2-CD2 3.56Å; F157-L285 HydrophobicContact CZ-CD1 4.19Å; F157-L285 HydrophobicContact CZ-CD2 3.15Å; F157-L285 HydrophobicContact CZ-CG 4.28Å; V281-L285 HydrophobicContact CG1-CD1 3.76Å; V281-L285 WeakPolarHBondContact O-CG 3.39Å; R283-L285 VanDerWaalsContact C-N 3.33Å; L285-I294 HydrophobicContact CD1-CG2 4.2Å
286	P	91.6	Very high	91.8	Very high	18 Å²	18	68.4 Å²	68.4	12%	0.117	34%	0.339	C	S	.	.			trans	-57.5	144.8	169.9	24.9	-34.9	0	0	0	110.6	D63 L154 V288	D63-P286 HydrophobicContact CB-CG 4.21Å; D63-P286 WeakPolarHBondContact O-CB 3.45Å; D63-P286 VanDerWaalsContact O-CG 3.27Å; D63-P286 WeakPolarHBondContact O-CG 3.31Å; L154-P286 HydrophobicContact CD1-CG 3.32Å; P286-V288 HydrophobicContact CG-CG1 4.49Å; P286-V288 PolarHBondContact O-N 3.01Å
287	R	89.4	Confident	91.8	Very high	244 Å²	244	61.7 Å²	61.7	92%	0.921	31%	0.31	S	S	*	.			trans	-75.2	99.4	173.8	-64	-177.7	-176.6	172	2.9	108.9
288	V	89.8	Confident	91.8	Very high	45 Å²	45	59.6 Å²	59.6	27%	0.273	30%	0.3	S	S	.	.			trans	-101.2	149.7	172.6	-64.4	0	0	0	0	110.8	L154 P286 Y290 K292	L154-V288 HydrophobicContact CD1-CG1 4.06Å; P286-V288 HydrophobicContact CG-CG1 4.49Å; P286-V288 PolarHBondContact O-N 3.01Å; V288-Y290 HydrophobicContact CB-CD1 4.16Å; V288-Y290 HydrophobicContact CB-CD2 4.42Å; V288-Y290 HydrophobicContact CB-CE1 3.82Å; V288-Y290 HydrophobicContact CB-CE2 4.09Å; V288-Y290 HydrophobicContact CB-CG 4.46Å; V288-Y290 HydrophobicContact CG1-CE1 4.03Å; V288-Y290 HydrophobicContact CG1-CE2 4.41Å; V288-Y290 HydrophobicContact CG2-CD2 4.15Å; V288-Y290 HydrophobicContact CG2-CE2 3.89Å; V288-K292 HydrophobicContact CG2-CD 3.71Å; V288-K292 HydrophobicContact CG2-CG 3.84Å
289	S	91.7	Very high	91.8	Very high	132 Å²	132	61.1 Å²	61.1	92%	0.923	31%	0.31	S	S	*	.	S	Bend	trans	-85.2	-14.8	-179.4	54.4	0	0	0	0	113.9
290	Y	93.1	Very high	91.9	Very high	80 Å²	80	61.3 Å²	61.3	31%	0.314	31%	0.308	S	S	.	.	S	Bend	trans	-95.3	163.1	177.8	55.3	-100.4	0	0	0	112	L154 T155 V288 K292	L154-Y290 HydrophobicContact CB-CE2 4.05Å; L154-Y290 WeakPolarHBondContact CB-OH 3.43Å; L154-Y290 PolarHBondContact N-OH 3.34Å; T155-Y290 HydrophobicContact CG2-CD2 3.78Å; T155-Y290 HydrophobicContact CG2-CE2 3.95Å; T155-Y290 HydrophobicContact CG2-CG 4.47Å; V288-Y290 HydrophobicContact CB-CD1 4.16Å; V288-Y290 HydrophobicContact CB-CD2 4.42Å; V288-Y290 HydrophobicContact CB-CE1 3.82Å; V288-Y290 HydrophobicContact CB-CE2 4.09Å; V288-Y290 HydrophobicContact CB-CG 4.46Å; V288-Y290 HydrophobicContact CG1-CE1 4.03Å; V288-Y290 HydrophobicContact CG1-CE2 4.41Å; V288-Y290 HydrophobicContact CG2-CD2 4.15Å; V288-Y290 HydrophobicContact CG2-CE2 3.89Å; Y290-K292 HydrophobicContact CE2-CG 4.32Å
291	V	92.2	Very high	91.9	Very high	97 Å²	97	57.2 Å²	57.2	59%	0.588	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-80.8	128	-179.2	-178.2	0	0	0	0	110.1	D295 V296	V291-D295 HydrophobicContact CG1-CB 4.36Å; V291-V296 HydrophobicContact CG1-CG2 3.52Å
292	K	93.6	Very high	92	Very high	13 Å²	13	59.1 Å²	59.1	6%	0.057	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-94.9	155.9	175.8	-56.1	-178.2	-61.8	-54.7	0	111.5	L154 T155 F157 V288 Y290 I294 D295 V296	L154-K292 HydrophobicContact CB-CD 4.22Å; L154-K292 WeakPolarHBondContact O-CG 3.25Å; T155-K292 CarbonylContact O-C 3.58Å; F157-K292 HydrophobicContact CB-CD 4.5Å; V288-K292 HydrophobicContact CG2-CD 3.71Å; V288-K292 HydrophobicContact CG2-CG 3.84Å; Y290-K292 HydrophobicContact CE2-CG 4.32Å; K292-I294 VanDerWaalsContact C-N 3.25Å; K292-I294 HydrophobicContact CB-CG2 4.07Å; K292-I294 PolarHBondContact O-N 3.35Å; K292-D295 WeakPolarHBondContact CB-OD2 3.46Å; K292-D295 PolarHBondContact N-OD2 2.87Å; K292-D295 VanDerWaalsContact N-OD2 3.08Å; K292-D295 IonicContact NZ-OD1 3.42Å; K292-D295 PolarHBondContact NZ-OD1 3.44Å; K292-D295 IonicContact NZ-OD2 3.3Å; K292-D295 PolarHBondContact NZ-OD2 2.85Å; K292-D295 WeakPolarHBondContact O-CA 3.41Å; K292-D295 WeakPolarHBondContact O-CB 3.38Å; K292-D295 PolarHBondContact O-N 3.14Å; K292-V296 PolarHBondContact O-N 3.16Å; K292-V296 VanDerWaalsContact O-N 3.1Å
293	A	93.7	Very high	92.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-55.7	-39.1	176	0	0	0	0	0	113	T155 F157 D295 V296 W297 Y475 Y479	T155-A293 PolarHBondContact O-N 2.75Å; F157-A293 WeakPolarHBondContact O-CB 3.43Å; A293-D295 VanDerWaalsContact C-N 3.34Å; A293-V296 PolarHBondContact O-N 3.4Å; A293-W297 PolarHBondContact O-N 3.46Å; A293-W297 VanDerWaalsContact O-N 3.09Å; A293-Y475 WeakPolarHBondContact O-CE2 3.43Å; A293-Y475 PolarHBondContact O-OH 3.33Å; A293-Y479 HydrophobicContact CB-CD1 3.4Å; A293-Y479 VanDerWaalsContact CB-CD1 3.4Å; A293-Y479 HydrophobicContact CB-CD2 4.04Å; A293-Y479 HydrophobicContact CB-CE1 3.22Å; A293-Y479 HydrophobicContact CB-CE2 3.89Å; A293-Y479 HydrophobicContact CB-CG 3.82Å; A293-Y479 VanDerWaalsContact CB-CZ 3.48Å
294	I	93.1	Very high	92.3	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-66.4	-32.7	174.1	-165.2	162.6	0	0	0	113	F157 A238 V281 L285 K292 W297 M298	F157-I294 HydrophobicContact CD1-CB 4.28Å; F157-I294 HydrophobicContact CD1-CG2 3.81Å; F157-I294 HydrophobicContact CE1-CD1 4.27Å; F157-I294 HydrophobicContact CE1-CG2 4.39Å; F157-I294 PolarHBondContact O-N 2.94Å; A238-I294 HydrophobicContact CB-CD1 4.07Å; V281-I294 HydrophobicContact CG1-CD1 3.57Å; V281-I294 HydrophobicContact CG1-CG1 4.08Å; V281-I294 HydrophobicContact CG1-CG2 4.4Å; V281-I294 HydrophobicContact CG2-CD1 4.41Å; L285-I294 HydrophobicContact CD1-CG2 4.2Å; K292-I294 VanDerWaalsContact C-N 3.25Å; K292-I294 HydrophobicContact CB-CG2 4.07Å; K292-I294 PolarHBondContact O-N 3.35Å; I294-W297 PolarHBondContact O-N 3.01Å; I294-M298 HydrophobicContact CG1-CG 4.4Å; I294-M298 WeakPolarHBondContact O-CB 2.8Å; I294-M298 VanDerWaalsContact O-CG 3.26Å; I294-M298 WeakPolarHBondContact O-CG 3.34Å; I294-M298 PolarHBondContact O-N 3.04Å
295	D	93.3	Very high	92.4	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.102	25%	0.249	C	C	.	.	H	α-helix	trans	-68.8	-42.6	177.5	-58.1	-30.1	0	0	0	110	V291 K292 A293 W297 M298 L299	V291-D295 HydrophobicContact CG1-CB 4.36Å; K292-D295 WeakPolarHBondContact CB-OD2 3.46Å; K292-D295 PolarHBondContact N-OD2 2.87Å; K292-D295 VanDerWaalsContact N-OD2 3.08Å; K292-D295 IonicContact NZ-OD1 3.42Å; K292-D295 PolarHBondContact NZ-OD1 3.44Å; K292-D295 IonicContact NZ-OD2 3.3Å; K292-D295 PolarHBondContact NZ-OD2 2.85Å; K292-D295 WeakPolarHBondContact O-CA 3.41Å; K292-D295 WeakPolarHBondContact O-CB 3.38Å; K292-D295 PolarHBondContact O-N 3.14Å; A293-D295 VanDerWaalsContact C-N 3.34Å; D295-W297 VanDerWaalsContact C-N 3.34Å; D295-W297 PolarHBondContact O-N 3.04Å; D295-M298 PolarHBondContact O-N 2.85Å; D295-L299 VanDerWaalsContact O-CB 3.29Å; D295-L299 WeakPolarHBondContact O-CB 3.27Å; D295-L299 VanDerWaalsContact O-CG 3.23Å; D295-L299 WeakPolarHBondContact O-CG 3.2Å; D295-L299 PolarHBondContact O-N 2.76Å
296	V	93.5	Very high	92.6	Very high	41 Å²	41	51.9 Å²	51.9	25%	0.248	27%	0.268	C	S	.	.	H	α-helix	trans	-58.4	-47.9	174.4	178.9	0	0	0	0	110.2	V291 K292 A293 M298 L299 S300	V291-V296 HydrophobicContact CG1-CG2 3.52Å; K292-V296 PolarHBondContact O-N 3.16Å; K292-V296 VanDerWaalsContact O-N 3.1Å; A293-V296 PolarHBondContact O-N 3.4Å; V296-M298 PolarHBondContact O-N 2.87Å; V296-L299 PolarHBondContact O-N 3.34Å; V296-S300 VanDerWaalsContact O-CB 3.3Å; V296-S300 WeakPolarHBondContact O-CB 3.21Å; V296-S300 PolarHBondContact O-N 3.01Å; V296-S300 PolarHBondContact O-OG 2.77Å
297	W	93.7	Very high	92.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-55.2	-54.7	176.3	176.9	-97.8	0	0	0	112.1	Y239 T242 F243 A293 I294 D295 L299 S300 C301 F468 F471 N472 Y475	Y239-W297 AromaticContact CD1-CD1 3.9Å; Y239-W297 AromaticContact CD1-CD2 3.74Å; Y239-W297 HydrophobicContact CD1-CD2 3.74Å; Y239-W297 AromaticContact CD1-CE2 3.54Å; Y239-W297 HydrophobicContact CD1-CE3 4.35Å; Y239-W297 AromaticContact CD1-CG 4Å; Y239-W297 HydrophobicContact CD1-CG 4Å; Y239-W297 HydrophobicContact CD1-CZ2 4.04Å; Y239-W297 AromaticContact CD1-NE1 3.61Å; Y239-W297 HydrophobicContact CE1-CB 4.2Å; Y239-W297 AromaticContact CE1-CD1 3.88Å; Y239-W297 AromaticContact CE1-CD2 3.64Å; Y239-W297 HydrophobicContact CE1-CD2 3.64Å; Y239-W297 AromaticContact CE1-CE2 3.96Å; Y239-W297 HydrophobicContact CE1-CE3 4.13Å; Y239-W297 AromaticContact CE1-CG 3.64Å; Y239-W297 HydrophobicContact CE1-CG 3.64Å; T242-W297 PolarHBondContact OG1-NE1 2.76Å; F243-W297 HydrophobicContact CD1-CH2 4.36Å; F243-W297 HydrophobicContact CD1-CZ2 4.31Å; F243-W297 HydrophobicContact CD2-CZ2 4.02Å; F243-W297 AromaticContact CE1-CH2 3.57Å; F243-W297 HydrophobicContact CE1-CH2 3.57Å; F243-W297 AromaticContact CE1-CZ2 3.92Å; F243-W297 HydrophobicContact CE1-CZ2 3.92Å; F243-W297 AromaticContact CE2-CH2 3.74Å; F243-W297 HydrophobicContact CE2-CH2 3.74Å; F243-W297 AromaticContact CE2-CZ2 3.58Å; F243-W297 HydrophobicContact CE2-CZ2 3.58Å; F243-W297 HydrophobicContact CG-CZ2 4.36Å; F243-W297 AromaticContact CZ-CH2 3.21Å; F243-W297 HydrophobicContact CZ-CH2 3.21Å; F243-W297 AromaticContact CZ-CZ2 3.54Å; F243-W297 HydrophobicContact CZ-CZ2 3.54Å; F243-W297 HydrophobicContact CZ-CZ3 4.28Å; A293-W297 PolarHBondContact O-N 3.46Å; A293-W297 VanDerWaalsContact O-N 3.09Å; I294-W297 PolarHBondContact O-N 3.01Å; D295-W297 VanDerWaalsContact C-N 3.34Å; D295-W297 PolarHBondContact O-N 3.04Å; W297-L299 PolarHBondContact O-N 3.4Å; W297-S300 PolarHBondContact O-N 3.16Å; W297-C301 VanDerWaalsContact CE2-SG 3.56Å; W297-C301 WeakPolarHBondContact O-CB 3.27Å; W297-C301 PolarHBondContact O-N 2.9Å; W297-C301 PolarHBondContact O-SG 2.92Å; W297-F468 HydrophobicContact CH2-CE2 4.34Å; W297-F468 AromaticContact CH2-CZ 3.94Å; W297-F468 HydrophobicContact CH2-CZ 3.94Å; W297-F468 HydrophobicContact CZ2-CZ 4.32Å; W297-F471 AromaticContact CE3-CE1 3.71Å; W297-F471 HydrophobicContact CE3-CE1 3.71Å; W297-F471 HydrophobicContact CE3-CZ 4.31Å; W297-F471 HydrophobicContact CZ3-CD1 4.31Å; W297-F471 AromaticContact CZ3-CE1 3.72Å; W297-F471 HydrophobicContact CZ3-CE1 3.72Å; W297-N472 WeakPolarHBondContact CH2-OD1 3.28Å; W297-N472 WeakPolarHBondContact CZ3-OD1 3.37Å; W297-Y475 HydrophobicContact CB-CE2 3.77Å; W297-Y475 HydrophobicContact CD2-CE1 4.42Å; W297-Y475 AromaticContact CE3-CD1 3.66Å; W297-Y475 HydrophobicContact CE3-CD1 3.66Å; W297-Y475 HydrophobicContact CE3-CD2 4.09Å; W297-Y475 AromaticContact CE3-CE1 3.73Å; W297-Y475 HydrophobicContact CE3-CE1 3.73Å; W297-Y475 HydrophobicContact CE3-CE2 4.15Å; W297-Y475 AromaticContact CE3-CG 3.85Å; W297-Y475 HydrophobicContact CE3-CG 3.85Å; W297-Y475 AromaticContact CE3-CZ 3.99Å; W297-Y475 HydrophobicContact CZ3-CD1 4Å; W297-Y475 HydrophobicContact CZ3-CE1 4.42Å; W297-Y475 HydrophobicContact CZ3-CG 4.26Å
298	M	92.9	Very high	92.6	Very high	4 Å²	4	42 Å²	42	2%	0.02	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-42	-176.2	-69.2	-60.9	-70.9	0	0	112.4	T242 M274 Q277 F278 I294 D295 V296 C301 M302	T242-M298 HydrophobicContact CG2-CE 3.81Å; T242-M298 HydrophobicContact CG2-SD 3.38Å; T242-M298 WeakPolarHBondContact CG2-SD 3.26Å; M274-M298 HydrophobicContact CE-CE 3.9Å; M274-M298 HydrophobicContact CE-SD 4.25Å; Q277-M298 HydrophobicContact CB-CE 3.78Å; F278-M298 HydrophobicContact CB-CE 3.91Å; F278-M298 HydrophobicContact CD2-CB 3.6Å; F278-M298 HydrophobicContact CD2-CG 4.09Å; F278-M298 HydrophobicContact CE2-CB 4.1Å; I294-M298 HydrophobicContact CG1-CG 4.4Å; I294-M298 WeakPolarHBondContact O-CB 2.8Å; I294-M298 VanDerWaalsContact O-CG 3.26Å; I294-M298 WeakPolarHBondContact O-CG 3.34Å; I294-M298 PolarHBondContact O-N 3.04Å; D295-M298 PolarHBondContact O-N 2.85Å; V296-M298 PolarHBondContact O-N 2.87Å; M298-C301 PolarHBondContact O-N 2.86Å; M298-M302 VanDerWaalsContact O-CB 3.32Å; M298-M302 WeakPolarHBondContact O-CB 3.4Å; M298-M302 PolarHBondContact O-N 2.89Å
299	L	93.5	Very high	92.7	Very high	86 Å²	86	41.3 Å²	41.3	45%	0.45	23%	0.231	S	C	.	.	H	α-helix	trans	-67.3	-42.1	178.3	-71.5	173	0	0	0	111.9	F278 D295 V296 W297 M302 T303	F278-L299 HydrophobicContact CZ-CD2 4.38Å; D295-L299 VanDerWaalsContact O-CB 3.29Å; D295-L299 WeakPolarHBondContact O-CB 3.27Å; D295-L299 VanDerWaalsContact O-CG 3.23Å; D295-L299 WeakPolarHBondContact O-CG 3.2Å; D295-L299 PolarHBondContact O-N 2.76Å; V296-L299 PolarHBondContact O-N 3.34Å; W297-L299 PolarHBondContact O-N 3.4Å; L299-M302 PolarHBondContact O-N 2.84Å; L299-T303 WeakPolarHBondContact O-CB 3.08Å; L299-T303 PolarHBondContact O-N 3.27Å; L299-T303 PolarHBondContact O-OG1 2.81Å
300	S	93.3	Very high	92.7	Very high	31 Å²	31	39.6 Å²	39.6	22%	0.217	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-46.2	174.8	-65.1	0	0	0	0	111.2	V296 W297 M302 T303 F304 F471	V296-S300 VanDerWaalsContact O-CB 3.3Å; V296-S300 WeakPolarHBondContact O-CB 3.21Å; V296-S300 PolarHBondContact O-N 3.01Å; V296-S300 PolarHBondContact O-OG 2.77Å; W297-S300 PolarHBondContact O-N 3.16Å; S300-M302 PolarHBondContact O-N 2.99Å; S300-T303 WeakPolarHBondContact O-CB 3.48Å; S300-T303 PolarHBondContact O-N 2.92Å; S300-T303 VanDerWaalsContact O-N 3.15Å; S300-F304 WeakPolarHBondContact O-CD2 3.46Å; S300-F304 PolarHBondContact O-N 2.86Å; S300-F471 VanDerWaalsContact OG-CE2 3.31Å; S300-F471 WeakPolarHBondContact OG-CE2 3.18Å; S300-F471 WeakPolarHBondContact OG-CZ 3.33Å
301	C	93.4	Very high	92.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60	-45	176.3	-69.5	0	0	0	0	112.4	I246 M274 W297 M298 T303 F304 V305	I246-C301 HydrophobicContact CD1-CB 3.71Å; I246-C301 WeakPolarHBondContact CD1-SG 3.22Å; M274-C301 HydrophobicContact CE-CB 3.46Å; M274-C301 VanDerWaalsContact CE-CB 3.46Å; W297-C301 VanDerWaalsContact CE2-SG 3.56Å; W297-C301 WeakPolarHBondContact O-CB 3.27Å; W297-C301 PolarHBondContact O-N 2.9Å; W297-C301 PolarHBondContact O-SG 2.92Å; M298-C301 PolarHBondContact O-N 2.86Å; C301-T303 VanDerWaalsContact C-N 3.28Å; C301-T303 PolarHBondContact O-N 2.8Å; C301-F304 PolarHBondContact O-N 3.21Å; C301-V305 PolarHBondContact O-N 2.76Å; C301-V305 VanDerWaalsContact O-N 3.11Å
302	M	93	Very high	92.3	Very high	58 Å²	58	32.6 Å²	32.6	29%	0.286	18%	0.175	S	C	.	.	H	α-helix	trans	-61.7	-37.4	175.5	-170.4	175	-177	0	0	111.7	L271 T275 M298 L299 S300 V305 F306	L271-M302 HydrophobicContact CD1-CE 3.86Å; L271-M302 HydrophobicContact CD1-CG 3.78Å; T275-M302 WeakPolarHBondContact OG1-CE 3.07Å; M298-M302 VanDerWaalsContact O-CB 3.32Å; M298-M302 WeakPolarHBondContact O-CB 3.4Å; M298-M302 PolarHBondContact O-N 2.89Å; L299-M302 PolarHBondContact O-N 2.84Å; S300-M302 PolarHBondContact O-N 2.99Å; M302-V305 PolarHBondContact O-N 3.22Å; M302-F306 WeakPolarHBondContact O-CB 3.15Å; M302-F306 PolarHBondContact O-N 3.01Å
303	T	92.7	Very high	92.1	Very high	81 Å²	81	34.9 Å²	34.9	50%	0.497	20%	0.196	S	C	.	.	H	α-helix	trans	-64.9	-41.9	175.2	-56.1	0	0	0	0	111.6	L299 S300 C301 V305 F306 C307	L299-T303 WeakPolarHBondContact O-CB 3.08Å; L299-T303 PolarHBondContact O-N 3.27Å; L299-T303 PolarHBondContact O-OG1 2.81Å; S300-T303 WeakPolarHBondContact O-CB 3.48Å; S300-T303 PolarHBondContact O-N 2.92Å; S300-T303 VanDerWaalsContact O-N 3.15Å; C301-T303 VanDerWaalsContact C-N 3.28Å; C301-T303 PolarHBondContact O-N 2.8Å; T303-V305 PolarHBondContact O-N 2.83Å; T303-F306 PolarHBondContact O-N 3.26Å; T303-C307 WeakPolarHBondContact O-CB 3.47Å; T303-C307 PolarHBondContact O-N 2.78Å; T303-C307 PolarHBondContact O-SG 2.94Å
304	F	92.5	Very high	91.8	Very high	34 Å²	34	42 Å²	42	15%	0.149	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-44.6	175.1	-80.4	-70.9	0	0	0	112.5	S300 C301 F306 C307 S308 L467 F468 F471	S300-F304 WeakPolarHBondContact O-CD2 3.46Å; S300-F304 PolarHBondContact O-N 2.86Å; C301-F304 PolarHBondContact O-N 3.21Å; F304-F306 VanDerWaalsContact C-N 3.34Å; F304-C307 PolarHBondContact O-N 2.84Å; F304-S308 PolarHBondContact O-N 3.36Å; F304-L467 HydrophobicContact CE1-CB 3.96Å; F304-L467 HydrophobicContact CZ-CB 4.43Å; F304-F468 AromaticContact CD2-CD2 3.91Å; F304-F468 HydrophobicContact CD2-CD2 3.91Å; F304-F468 AromaticContact CE2-CD2 3.95Å; F304-F468 HydrophobicContact CE2-CD2 3.95Å; F304-F468 HydrophobicContact CG-CD2 4.42Å; F304-F468 HydrophobicContact CZ-CD2 4.47Å; F304-F471 HydrophobicContact CE2-CB 4.18Å; F304-F471 HydrophobicContact CE2-CD1 4.18Å; F304-F471 HydrophobicContact CE2-CG 4.09Å; F304-F471 HydrophobicContact CZ-CB 4.18Å
305	V	92.1	Very high	91.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-41.5	175.9	177.3	0	0	0	0	110.6	I246 A270 L271 M274 C301 M302 T303 S308 L309	I246-V305 HydrophobicContact CG1-CG2 4.33Å; A270-V305 HydrophobicContact CB-CG1 3.98Å; L271-V305 HydrophobicContact CB-CG1 3.96Å; L271-V305 HydrophobicContact CD1-CG1 4.35Å; M274-V305 HydrophobicContact CG-CG2 4.27Å; C301-V305 PolarHBondContact O-N 2.76Å; C301-V305 VanDerWaalsContact O-N 3.11Å; M302-V305 PolarHBondContact O-N 3.22Å; T303-V305 PolarHBondContact O-N 2.83Å; V305-S308 WeakPolarHBondContact O-CB 3.45Å; V305-S308 PolarHBondContact O-N 2.94Å; V305-S308 PolarHBondContact O-OG 3.01Å; V305-L309 PolarHBondContact O-N 2.98Å
306	F	92.8	Very high	91	Very high	106 Å²	106	41.9 Å²	41.9	47%	0.465	23%	0.225	S	C	.	.	H	α-helix	trans	-62.4	-42.8	175.1	-177	-104.1	0	0	0	112.7	M302 T303 F304 S308 L309 L310	M302-F306 WeakPolarHBondContact O-CB 3.15Å; M302-F306 PolarHBondContact O-N 3.01Å; T303-F306 PolarHBondContact O-N 3.26Å; F304-F306 VanDerWaalsContact C-N 3.34Å; F306-S308 VanDerWaalsContact C-N 3.28Å; F306-S308 PolarHBondContact O-N 2.86Å; F306-L309 WeakPolarHBondContact O-CB 3.49Å; F306-L309 PolarHBondContact O-N 2.78Å; F306-L309 VanDerWaalsContact O-N 3.07Å; F306-L310 HydrophobicContact CD1-CD1 4.04Å; F306-L310 HydrophobicContact CD1-CG 4.32Å; F306-L310 HydrophobicContact CE1-CD1 3.66Å; F306-L310 HydrophobicContact CE1-CD2 4.28Å; F306-L310 HydrophobicContact CE1-CG 3.97Å; F306-L310 HydrophobicContact CZ-CD1 4.39Å; F306-L310 HydrophobicContact CZ-CD2 4.2Å; F306-L310 HydrophobicContact CZ-CG 4.3Å; F306-L310 PolarHBondContact O-N 3.33Å
307	C	91.6	Very high	90.6	Very high	47 Å²	47	45.7 Å²	45.7	32%	0.318	24%	0.236	S	C	.	.	H	α-helix	trans	-61.9	-34.6	174.9	-72.4	0	0	0	0	112.3	T303 F304 L309 L310 E311 F464	T303-C307 WeakPolarHBondContact O-CB 3.47Å; T303-C307 PolarHBondContact O-N 2.78Å; T303-C307 PolarHBondContact O-SG 2.94Å; F304-C307 PolarHBondContact O-N 2.84Å; C307-L309 VanDerWaalsContact C-N 3.3Å; C307-L309 PolarHBondContact O-N 3.42Å; C307-L310 PolarHBondContact O-N 2.75Å; C307-E311 PolarHBondContact O-N 3.05Å; C307-F464 HydrophobicContact CB-CE1 3.63Å; C307-F464 HydrophobicContact CB-CZ 4.09Å
308	S	89.6	Confident	90.1	Very high	7 Å²	7	46.7 Å²	46.7	5%	0.049	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-33.4	173.3	79.9	0	0	0	0	112.8	F304 V305 F306 L312	F304-S308 PolarHBondContact O-N 3.36Å; V305-S308 WeakPolarHBondContact O-CB 3.45Å; V305-S308 PolarHBondContact O-N 2.94Å; V305-S308 PolarHBondContact O-OG 3.01Å; F306-S308 VanDerWaalsContact C-N 3.28Å; F306-S308 PolarHBondContact O-N 2.86Å; S308-L312 PolarHBondContact O-N 3.13Å; S308-L312 VanDerWaalsContact O-N 3.12Å
309	L	91.2	Very high	89.2	Confident	31 Å²	31	47.9 Å²	47.9	16%	0.162	25%	0.25	C	S	.	.	H	α-helix	trans	-73.4	-36.2	174.8	-74.6	173.5	0	0	0	112.5	V268 L271 V305 F306 C307 E311 L312 A313	V268-L309 HydrophobicContact CG2-CD2 4.32Å; L271-L309 HydrophobicContact CB-CD1 4.27Å; L271-L309 HydrophobicContact CD2-CD1 3.86Å; V305-L309 PolarHBondContact O-N 2.98Å; F306-L309 WeakPolarHBondContact O-CB 3.49Å; F306-L309 PolarHBondContact O-N 2.78Å; F306-L309 VanDerWaalsContact O-N 3.07Å; C307-L309 VanDerWaalsContact C-N 3.3Å; C307-L309 PolarHBondContact O-N 3.42Å; L309-E311 VanDerWaalsContact C-N 3.31Å; L309-L312 HydrophobicContact CD2-CD2 4.45Å; L309-L312 PolarHBondContact O-N 3.29Å; L309-A313 WeakPolarHBondContact O-CB 3.46Å; L309-A313 PolarHBondContact O-N 3.08Å
310	L	91.6	Very high	88.3	Confident	95 Å²	95	53.1 Å²	53.1	50%	0.497	26%	0.264	S	S	.	.	H	α-helix	trans	-63.6	-39.8	173.2	-70.5	179.5	0	0	0	111.5	F306 C307 A313 W314	F306-L310 HydrophobicContact CD1-CD1 4.04Å; F306-L310 HydrophobicContact CD1-CG 4.32Å; F306-L310 HydrophobicContact CE1-CD1 3.66Å; F306-L310 HydrophobicContact CE1-CD2 4.28Å; F306-L310 HydrophobicContact CE1-CG 3.97Å; F306-L310 HydrophobicContact CZ-CD1 4.39Å; F306-L310 HydrophobicContact CZ-CD2 4.2Å; F306-L310 HydrophobicContact CZ-CG 4.3Å; F306-L310 PolarHBondContact O-N 3.33Å; C307-L310 PolarHBondContact O-N 2.75Å; L310-A313 PolarHBondContact O-N 2.9Å; L310-W314 WeakPolarHBondContact O-CB 3.26Å; L310-W314 PolarHBondContact O-N 3.44Å
311	E	89.1	Confident	87.2	Confident	16 Å²	16	56.3 Å²	56.3	8%	0.075	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-47.7	173.6	-168.3	-86.5	179.7	0	0	111.2	F253 R263 C307 L309 A313 W314 V315 I456 D457 S460 F464	F253-E311 HydrophobicContact CE1-CB 4.38Å; F253-E311 HydrophobicContact CE1-CG 4.25Å; F253-E311 WeakPolarHBondContact CE1-OE2 3.34Å; R263-E311 IonicContact NH2-OE2 2.7Å; R263-E311 PolarHBondContact NH2-OE2 3.3Å; C307-E311 PolarHBondContact O-N 3.05Å; L309-E311 VanDerWaalsContact C-N 3.31Å; E311-A313 VanDerWaalsContact C-N 3.33Å; E311-A313 PolarHBondContact O-N 2.93Å; E311-W314 WeakPolarHBondContact O-CB 3.01Å; E311-W314 PolarHBondContact O-N 2.63Å; E311-W314 VanDerWaalsContact O-N 3.13Å; E311-V315 WeakPolarHBondContact O-CG2 3.45Å; E311-V315 PolarHBondContact O-N 3.05Å; E311-I456 HydrophobicContact CG-CG2 4.32Å; E311-D457 VanDerWaalsContact OE1-OD1 3.14Å; E311-S460 VanDerWaalsContact CG-OG 3.26Å; E311-S460 WeakPolarHBondContact CG-OG 3.09Å; E311-S460 WeakPolarHBondContact OE1-CB 3.46Å; E311-S460 PolarHBondContact OE1-OG 3.16Å; E311-F464 HydrophobicContact CB-CE2 4.35Å; E311-F464 HydrophobicContact CB-CZ 4.31Å; E311-F464 HydrophobicContact CG-CE2 4.28Å
312	L	87.3	Confident	85.8	Confident	14 Å²	14	57.2 Å²	57.2	7%	0.073	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-41.6	175.5	177.1	63.8	0	0	0	112.4	R263 T264 S308 L309 W314 V315 G316	R263-L312 HydrophobicContact CB-CD1 3.62Å; R263-L312 HydrophobicContact CB-CD2 3.99Å; R263-L312 HydrophobicContact CB-CG 4.47Å; R263-L312 HydrophobicContact CG-CD1 4.45Å; T264-L312 VanDerWaalsContact CA-CD2 3.48Å; S308-L312 PolarHBondContact O-N 3.13Å; S308-L312 VanDerWaalsContact O-N 3.12Å; L309-L312 HydrophobicContact CD2-CD2 4.45Å; L309-L312 PolarHBondContact O-N 3.29Å; L312-W314 VanDerWaalsContact C-N 3.3Å; L312-W314 PolarHBondContact O-N 3.21Å; L312-V315 PolarHBondContact O-N 3.47Å; L312-G316 PolarHBondContact O-N 2.85Å
313	A	89.2	Confident	84.2	Confident	62 Å²	62	59.5 Å²	59.5	51%	0.512	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-39.6	176.9	0	0	0	0	0	111.3	L309 L310 E311 Y317	L309-A313 WeakPolarHBondContact O-CB 3.46Å; L309-A313 PolarHBondContact O-N 3.08Å; L310-A313 PolarHBondContact O-N 2.9Å; E311-A313 VanDerWaalsContact C-N 3.33Å; E311-A313 PolarHBondContact O-N 2.93Å; A313-Y317 WeakPolarHBondContact O-CB 3.5Å; A313-Y317 PolarHBondContact O-N 3.03Å
314	W	87.8	Confident	82.1	Confident	150 Å²	150	64.4 Å²	64.4	57%	0.568	31%	0.306	S	S	*	.	H	α-helix	trans	-66.2	-47.7	176.2	-174.5	-96.4	0	0	0	112.2	L310 E311 L312 G316 Y317 L318	L310-W314 WeakPolarHBondContact O-CB 3.26Å; L310-W314 PolarHBondContact O-N 3.44Å; E311-W314 WeakPolarHBondContact O-CB 3.01Å; E311-W314 PolarHBondContact O-N 2.63Å; E311-W314 VanDerWaalsContact O-N 3.13Å; L312-W314 VanDerWaalsContact C-N 3.3Å; L312-W314 PolarHBondContact O-N 3.21Å; W314-G316 VanDerWaalsContact C-N 3.34Å; W314-G316 PolarHBondContact O-N 3.06Å; W314-Y317 WeakPolarHBondContact O-CB 3.4Å; W314-Y317 PolarHBondContact O-N 2.03Å; W314-L318 PolarHBondContact O-N 3.4Å
315	V	85.2	Confident	80.1	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.024	34%	0.335	C	S	.	.	H	α-helix	trans	-60.4	-43.3	175.6	169.8	0	0	0	0	111	T257 E311 L312 Y317 L318 S319 A453 I456 D457	T257-V315 HydrophobicContact CG2-CG1 4.36Å; E311-V315 WeakPolarHBondContact O-CG2 3.45Å; E311-V315 PolarHBondContact O-N 3.05Å; L312-V315 PolarHBondContact O-N 3.47Å; V315-Y317 VanDerWaalsContact C-N 3.35Å; V315-Y317 PolarHBondContact O-N 3.49Å; V315-L318 PolarHBondContact O-N 3.43Å; V315-S319 PolarHBondContact O-N 3.07Å; V315-A453 HydrophobicContact CG1-CB 4.18Å; V315-I456 HydrophobicContact CG2-CB 4.43Å; V315-I456 HydrophobicContact CG2-CG2 3.97Å; V315-D457 WeakPolarHBondContact CG2-OD1 3.48Å
316	G	84.9	Confident	78	Confident	12 Å²	12	74.2 Å²	74.2	12%	0.124	37%	0.365	C	S	.	.	H	α-helix	trans	-64.2	-36.1	175.3	0	0	0	0	0	113.4	L312 W314 R320	L312-G316 PolarHBondContact O-N 2.85Å; W314-G316 VanDerWaalsContact C-N 3.34Å; W314-G316 PolarHBondContact O-N 3.06Å; G316-R320 WeakPolarHBondContact O-CG 3.41Å; G316-R320 PolarHBondContact O-N 2.85Å; G316-R320 VanDerWaalsContact O-N 3.11Å
317	Y	85.3	Confident	75.8	Confident	122 Å²	122	77.6 Å²	77.6	48%	0.478	38%	0.382	S	S	.	.	H	α-helix	trans	-66.6	-42.5	174.8	176.4	-99.8	0	0	0	112.2	A313 W314 V315 R320 K321	A313-Y317 WeakPolarHBondContact O-CB 3.5Å; A313-Y317 PolarHBondContact O-N 3.03Å; W314-Y317 WeakPolarHBondContact O-CB 3.4Å; W314-Y317 PolarHBondContact O-N 2.03Å; V315-Y317 VanDerWaalsContact C-N 3.35Å; V315-Y317 PolarHBondContact O-N 3.49Å; Y317-R320 PolarHBondContact O-N 2.84Å; Y317-K321 HydrophobicContact CE1-CD 4.26Å; Y317-K321 VanDerWaalsContact CE1-CE 3.4Å; Y317-K321 PolarHBondContact O-N 2.87Å; Y317-K321 WeakPolarHBondContact OH-CE 3.07Å; Y317-K321 PolarHBondContact OH-NZ 2.83Å; Y317-K321 VanDerWaalsContact OH-NZ 3.15Å
318	L	82.8	Confident	73.3	Confident	20 Å²	20	81.8 Å²	81.8	11%	0.105	41%	0.409	C	S	.	.	H	α-helix	trans	-63.8	-44.7	175.9	-70.3	175.7	0	0	0	111.7	W314 V315 R320 K321 T322 I456	W314-L318 PolarHBondContact O-N 3.4Å; V315-L318 PolarHBondContact O-N 3.43Å; L318-R320 VanDerWaalsContact C-N 3.3Å; L318-R320 PolarHBondContact O-N 2.97Å; L318-K321 PolarHBondContact O-N 2.84Å; L318-K321 VanDerWaalsContact O-N 3.12Å; L318-T322 PolarHBondContact O-OG1 2.83Å; L318-I456 HydrophobicContact CD1-CD1 3.39Å
319	S	75.2	Confident	71	Confident	29 Å²	29	84.3 Å²	84.3	20%	0.203	44%	0.436	C	S	.	.	H	α-helix	trans	-63.2	-32.9	177.5	-175.7	0	0	0	0	112.8	V315 K321 T322	V315-S319 PolarHBondContact O-N 3.07Å; S319-K321 VanDerWaalsContact C-N 3.34Å; S319-K321 PolarHBondContact O-N 2.99Å; S319-T322 VanDerWaalsContact O-CB 3.26Å; S319-T322 WeakPolarHBondContact O-CB 3.44Å; S319-T322 PolarHBondContact O-N 2.71Å
320	R	73.9	Confident	68.4	Low	196 Å²	196	91.8 Å²	91.8	74%	0.74	47%	0.47	S	S	*	.	H	α-helix	trans	-68.3	-28.6	174.5	-78.2	-177.3	-177.7	-158.7	2.2	113.8	G316 Y317 L318 T322 V323	G316-R320 WeakPolarHBondContact O-CG 3.41Å; G316-R320 PolarHBondContact O-N 2.85Å; G316-R320 VanDerWaalsContact O-N 3.11Å; Y317-R320 PolarHBondContact O-N 2.84Å; L318-R320 VanDerWaalsContact C-N 3.3Å; L318-R320 PolarHBondContact O-N 2.97Å; R320-T322 VanDerWaalsContact C-N 3.25Å; R320-T322 PolarHBondContact O-N 3.11Å; R320-V323 PolarHBondContact O-N 2.84Å
321	K	69.7	Low	65.6	Low	99 Å²	99	97.4 Å²	97.4	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-68.5	-28.2	174.8	-75.4	-173.7	176.2	176.3	0	111.9	Y317 L318 S319	Y317-K321 HydrophobicContact CE1-CD 4.26Å; Y317-K321 VanDerWaalsContact CE1-CE 3.4Å; Y317-K321 PolarHBondContact O-N 2.87Å; Y317-K321 WeakPolarHBondContact OH-CE 3.07Å; Y317-K321 PolarHBondContact OH-NZ 2.83Å; Y317-K321 VanDerWaalsContact OH-NZ 3.15Å; L318-K321 PolarHBondContact O-N 2.84Å; L318-K321 VanDerWaalsContact O-N 3.12Å; S319-K321 VanDerWaalsContact C-N 3.34Å; S319-K321 PolarHBondContact O-N 2.99Å
322	T	63.4	Low	63.3	Low	19 Å²	19	101.6 Å²	101.6	12%	0.117	53%	0.528	C	S	.	.	H	α-helix	trans	-66.4	-32.9	175.4	-51.6	0	0	0	0	112.9	L318 S319 R320 A446 N449 D450	L318-T322 PolarHBondContact O-OG1 2.83Å; S319-T322 VanDerWaalsContact O-CB 3.26Å; S319-T322 WeakPolarHBondContact O-CB 3.44Å; S319-T322 PolarHBondContact O-N 2.71Å; R320-T322 VanDerWaalsContact C-N 3.25Å; R320-T322 PolarHBondContact O-N 3.11Å; T322-A446 HydrophobicContact CG2-CB 3.46Å; T322-A446 VanDerWaalsContact CG2-CB 3.46Å; T322-N449 WeakPolarHBondContact OG1-CB 3.26Å; T322-D450 WeakPolarHBondContact CB-OD1 3.26Å; T322-D450 WeakPolarHBondContact CG2-OD1 3.37Å; T322-D450 PolarHBondContact OG1-OD1 2.83Å
323	V	59.7	Low	60.8	Low	105 Å²	105	106.8 Å²	106.8	64%	0.636	57%	0.565	S	S	*	*			trans	-101.2	-2.3	-164	-177.8	0	0	0	0	115.1	R320 P325	R320-V323 PolarHBondContact O-N 2.84Å; V323-P325 WeakPolarHBondContact O-CD 3.13Å; V323-P325 VanDerWaalsContact O-N 3.12Å
324	R	49.8	Very low	58.4	Low	185 Å²	185	108.4 Å²	108.4	70%	0.698	57%	0.573	S	S	*	*			trans	-66.2	113.4	178.1	-66.5	-170.7	-171.8	-168.5	1.9	110.5	H442	R324-H442 PolarHBondContact O-NE2 3.23Å
325	P	48.8	Very low	56.1	Low	117 Å²	117	108.2 Å²	108.2	76%	0.76	58%	0.583	S	S	*	*			trans	-77	132.1	174.7	-4.3	23.5	0	0	0	109	V323 E327	V323-P325 WeakPolarHBondContact O-CD 3.13Å; V323-P325 VanDerWaalsContact O-N 3.12Å; P325-E327 PolarHBondContact O-N 3.01Å
326	I	49.4	Very low	54	Low	122 Å²	122	118.2 Å²	118.2	63%	0.626	63%	0.626	S	S	*	*			trans	-64.8	111.3	166	-62.2	167	0	0	0	107.1	P328	I326-P328 WeakPolarHBondContact O-CD 3.42Å
327	E	46.7	Very low	51.7	Low	178 Å²	178	122.4 Å²	122.4	83%	0.832	66%	0.66	S	S	*	*			trans	-65.5	121.1	164.3	-74.8	-172.8	124.8	0	0	108.4	P325 G329	P325-E327 PolarHBondContact O-N 3.01Å; E327-G329 VanDerWaalsContact C-N 3.29Å; E327-G329 PolarHBondContact O-N 2.84Å
328	P	39.2	Very low	49.5	Very low	134 Å²	134	128 Å²	128	87%	0.87	68%	0.68	S	S	*	*			trans	-76.1	84.3	175.6	29.4	-30.5	0	0	0	109.6	I326	I326-P328 WeakPolarHBondContact O-CD 3.42Å
329	G	40	Very low	47.6	Very low	61 Å²	61	136.9 Å²	136.9	63%	0.629	72%	0.718	S	S	*	*			trans	-105.4	117.6	172.8	0	0	0	0	0	111.9	E327	E327-G329 VanDerWaalsContact C-N 3.29Å; E327-G329 PolarHBondContact O-N 2.84Å
330	Q	37.1	Very low	45.8	Very low	187 Å²	187	144.5 Å²	144.5	87%	0.874	75%	0.747	S	S	*	*			trans	65.5	100.1	151.9	-59	172.2	-12.5	0	0	117.5
331	K	34.2	Very low	43.9	Very low	213 Å²	213	145.3 Å²	145.3	93%	0.926	75%	0.75	S	S	*	*			trans	168.5	96.3	135.2	-90.7	156.4	-169	-177.2	0	111.3
332	A	39	Very low	42.3	Very low	104 Å²	104	148.9 Å²	148.9	86%	0.86	77%	0.766	S	S	*	*			trans	-161.8	65.4	150.3	0	0	0	0	0	109.2
333	S	36	Very low	40.9	Very low	123 Å²	123	158 Å²	158	86%	0.86	80%	0.804	S	S	*	*			trans	-68.8	143	156.6	177.5	0	0	0	0	108.2
334	S	38.1	Very low	39.7	Very low	97 Å²	97	156.9 Å²	156.9	68%	0.678	81%	0.814	S	S	*	*	S	Bend	trans	95.6	124.9	167.6	-150.4	0	0	0	0	117.3
335	N	39.6	Very low	38.9	Very low	146 Å²	146	152.5 Å²	152.5	78%	0.781	82%	0.818	S	S	*	*			trans	80.5	80.6	161.1	-60.4	-23.9	0	0	0	119.1
336	K	40.5	Very low	38.2	Very low	214 Å²	214	155.4 Å²	155.4	93%	0.93	83%	0.825	S	S	*	*			trans	-159.5	75.7	132.2	-105.7	165.6	-167.8	-179.7	0	110.8
337	A	38	Very low	37.6	Very low	100 Å²	100	157.5 Å²	157.5	83%	0.826	83%	0.832	S	S	*	*			trans	-72.4	145	156	0	0	0	0	0	109.4
338	R	39.2	Very low	36.8	Very low	238 Å²	238	153.8 Å²	153.8	90%	0.898	82%	0.824	S	S	*	*			trans	95.9	85.8	153.1	-157.3	176.3	179	173.6	-0.6	118.6
339	K	41.4	Very low	36.5	Very low	207 Å²	207	155.1 Å²	155.1	90%	0.9	82%	0.824	S	S	*	*			trans	-176.9	81.1	130.2	-103.3	172.5	179.5	178.7	0	109.3
340	K	38	Very low	36.1	Very low	189 Å²	189	155.9 Å²	155.9	82%	0.822	82%	0.824	S	S	*	*				58.5	118.4	99.8	-102.5	-173.4	179.9	177.6	0	116.8
341	R	33.7	Very low	36	Very low	213 Å²	213	156.2 Å²	156.2	80%	0.804	82%	0.823	S	S	*	*			trans	76.8	132.3	145.7	-73	171.4	101.6	178.7	7	116
342	K	37.1	Very low	36	Very low	174 Å²	174	151 Å²	151	76%	0.757	81%	0.813	S	S	*	*			cis	-154.1	129.4	33	-106.7	161.8	-178.9	-177.9	0	108.6
343	K	34.2	Very low	35.8	Very low	210 Å²	210	157.2 Å²	157.2	91%	0.913	82%	0.816	S	S	*	*				67.8	118.3	108.8	-80.4	-168.1	173.4	-169.9	0	116.4
344	G	34.1	Very low	36	Very low	83 Å²	83	154 Å²	154	86%	0.856	80%	0.803	S	S	*	*			trans	154	66.7	159.1	0	0	0	0	0	113.1
345	A	31.8	Very low	36	Very low	93 Å²	93	156 Å²	156	77%	0.769	81%	0.811	S	S	*	*			trans	-72.7	143.3	166.8	0	0	0	0	0	109.8
346	I	35.8	Very low	36.2	Very low	178 Å²	178	156.9 Å²	156.9	91%	0.913	81%	0.814	S	S	*	*			trans	-164.4	133.9	138.3	-86.2	138	0	0	0	107.2
347	H	35.7	Very low	35.9	Very low	166 Å²	166	153.8 Å²	153.8	77%	0.769	81%	0.808	S	S	*	*			trans	-111.9	142.2	-173.2	167.6	-87.3	0	0	0	110.1
348	C	30.4	Very low	36.2	Very low	99 Å²	99	158.2 Å²	158.2	67%	0.669	81%	0.814	S	S	*	*			trans	47.6	130.8	160	-64	0	0	0	0	121.5
349	N	31.9	Very low	36	Very low	163 Å²	163	156.6 Å²	156.6	87%	0.872	81%	0.813	S	S	*	*				170.1	161.6	94.7	-159	2.1	0	0	0	110.5
350	A	32.7	Very low	35.8	Very low	77 Å²	77	153.8 Å²	153.8	64%	0.636	81%	0.808	S	S	*	*			trans	-50.2	152.4	-176.2	0	0	0	0	0	118.1
351	K	34.9	Very low	35.6	Very low	193 Å²	193	152.1 Å²	152.1	84%	0.839	81%	0.808	S	S	*	*			trans	170.4	111.3	142.1	-94	161.5	-176.4	-175.8	0	108.4
352	S	34	Very low	35.7	Very low	103 Å²	103	145.1 Å²	145.1	72%	0.72	80%	0.802	S	S	*	*				56.7	116.7	88.9	-169.9	0	0	0	0	114.9
353	Y	34.7	Very low	35.5	Very low	235 Å²	235	142 Å²	142	92%	0.922	80%	0.802	S	S	*	*			trans	-166.3	137.1	145.7	-75.1	-71.6	0	0	0	107.4
354	G	39.5	Very low	35.7	Very low	57 Å²	57	141.4 Å²	141.4	59%	0.588	80%	0.8	S	S	*	*			cis	-177.1	160.9	0.5	0	0	0	0	0	112
355	T	38.9	Very low	35.7	Very low	137 Å²	137	146.4 Å²	146.4	84%	0.84	80%	0.801	S	S	*	*			trans	57.9	131.2	147.4	57.1	0	0	0	0	118.6
356	I	43.1	Very low	36	Very low	165 Å²	165	146.6 Å²	146.6	85%	0.846	79%	0.794	S	S	*	*				-157.3	145.5	63.1	-75.4	161.5	0	0	0	111
357	D	35.9	Very low	35.9	Very low	150 Å²	150	147.2 Å²	147.2	80%	0.802	79%	0.793	S	S	*	*			trans	-54.9	151	177.3	-74.2	-57.6	0	0	0	117.1
358	M	42.3	Very low	35.8	Very low	193 Å²	193	142.6 Å²	142.6	95%	0.951	79%	0.79	S	S	*	*				-167.9	131.2	115.3	-106.6	-179.7	162.7	0	0	112.3
359	K	36	Very low	35.8	Very low	203 Å²	203	149 Å²	149	88%	0.883	80%	0.8	S	S	*	*			trans	-48.1	145.8	169.3	-81.4	167.7	165.4	172.2	0	113.2
360	D	36.7	Very low	35.8	Very low	148 Å²	148	147.6 Å²	147.6	79%	0.791	79%	0.791	S	S	*	*				-172.9	156.9	94.8	-151.4	1.2	0	0	0	112.4
361	N	35.1	Very low	35.8	Very low	155 Å²	155	150.6 Å²	150.6	83%	0.829	80%	0.796	S	S	*	*			trans	-68.6	161.7	-172.4	-73.9	-50.9	0	0	0	115.4
362	G	34.6	Very low	35.8	Very low	66 Å²	66	148 Å²	148	68%	0.68	79%	0.791	S	S	*	*			trans	132.3	87.5	139.8	0	0	0	0	0	117.4
363	S	33.6	Very low	35.7	Very low	109 Å²	109	149.8 Å²	149.8	76%	0.762	79%	0.793	S	S	*	*			trans	41.8	124.5	135	60.2	0	0	0	0	122.6
364	K	37.5	Very low	35.7	Very low	197 Å²	197	141.8 Å²	141.8	86%	0.857	78%	0.782	S	S	*	*			trans	77.9	106.3	132.5	-70.1	-177.7	178.3	-177.2	0	120.3
365	E	35.1	Very low	35.4	Very low	188 Å²	188	144.5 Å²	144.5	88%	0.879	79%	0.787	S	S	*	*				71.3	155.8	124.7	-80.8	-151.7	161	0	0	122.2
366	P	38	Very low	35.2	Very low	97 Å²	97	144 Å²	144	63%	0.63	79%	0.789	S	S	*	*			trans	-113.5	175.5	-138.1	41.4	-31.7	0	0	0	114.7
367	H	34.4	Very low	34.6	Very low	190 Å²	190	141.1 Å²	141.1	88%	0.88	78%	0.779	S	S	*	*			trans	126.7	137.2	157.9	-81.1	-84.4	0	0	0	115.2
368	G	32.9	Very low	34.6	Very low	69 Å²	69	144 Å²	144	71%	0.711	79%	0.785	S	S	*	*			trans	105.5	100.1	151.9	0	0	0	0	0	114.5
369	R	29.8	Very low	34.3	Very low	234 Å²	234	139.6 Å²	139.6	88%	0.883	77%	0.771	S	S	*	*				73.5	129.8	85.9	-104.6	-170.1	-166	179.7	5.4	115.2
370	I	32.6	Very low	34.2	Very low	133 Å²	133	137 Å²	137	68%	0.682	77%	0.765	S	S	*	*			trans	101.5	107.7	141.4	-64.9	160	0	0	0	118.2
371	L	33.1	Very low	33.8	Very low	140 Å²	140	135.2 Å²	135.2	73%	0.733	76%	0.764	S	S	*	*				38.5	133.4	129.3	-70.5	124.2	0	0	0	121.5
372	N	34.2	Very low	33.7	Very low	139 Å²	139	131 Å²	131	74%	0.743	76%	0.758	S	S	*	*				159.8	154	123.1	-92	-15.6	0	0	0	108.4
373	N	31.7	Very low	33.5	Very low	141 Å²	141	135.5 Å²	135.5	75%	0.754	76%	0.764	S	S	*	*			cis	-175.9	159.8	-19.4	-134.6	-4.7	0	0	0	104.1
374	G	34.5	Very low	33.6	Very low	67 Å²	67	141.7 Å²	141.7	69%	0.691	77%	0.772	S	S	*	*			trans	150.8	62.7	173.4	0	0	0	0	0	111.5
375	T	33.2	Very low	33.3	Very low	113 Å²	113	135.5 Å²	135.5	69%	0.693	77%	0.765	S	S	*	*				55.6	100.3	82.9	-14.9	0	0	0	0	114.3
376	S	34.1	Very low	33.1	Very low	126 Å²	126	131.3 Å²	131.3	88%	0.881	76%	0.762	S	S	*	*			trans	-150.8	110.5	135.9	52.8	0	0	0	0	109.4
377	T	32.2	Very low	32.8	Very low	106 Å²	106	135.4 Å²	135.4	65%	0.65	77%	0.773	S	S	*	*			trans	-83.1	145.7	175.5	33.6	0	0	0	0	111.3
378	F	36	Very low	32.7	Very low	211 Å²	211	130.8 Å²	130.8	93%	0.925	76%	0.762	S	S	*	*				-153.8	141.1	129.5	-84.6	-69.8	0	0	0	111.1
379	P	34.2	Very low	32.8	Very low	99 Å²	99	138.5 Å²	138.5	64%	0.643	77%	0.772	S	S	*	*			trans	-126.2	-164.6	-158.9	28.5	-3	0	0	0	114.1
380	I	34.1	Very low	32.8	Very low	149 Å²	149	130.9 Å²	130.9	76%	0.764	77%	0.765	S	S	*	*			trans	89.2	120.9	157	-54.8	171.7	0	0	0	113.8
381	S	29.4	Very low	32.7	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	78%	0.775	S	S	*	*			cis	123.9	137	13.3	67.4	0	0	0	0	110.1
382	G	32.5	Very low	33	Very low	67 Å²	67	140.1 Å²	140.1	69%	0.691	78%	0.784	S	S	*	*			trans	135.8	97.7	170.6	0	0	0	0	0	110.3
383	I	30	Very low	33.2	Very low	159 Å²	159	138.6 Å²	138.6	82%	0.815	78%	0.781	S	S	*	*				54.8	92.6	56.9	-51.4	-177.3	0	0	0	113
384	Y	35.5	Very low	33.1	Very low	239 Å²	239	138.5 Å²	138.5	94%	0.937	79%	0.788	S	S	*	*			trans	-166.7	125.3	139.5	-84.9	-77.2	0	0	0	104.4
385	G	31.1	Very low	33.1	Very low	68 Å²	68	138.9 Å²	138.9	70%	0.701	79%	0.792	S	S	*	*			cis	115.7	96.3	21.3	0	0	0	0	0	109.1
386	A	30.8	Very low	33.1	Very low	100 Å²	100	141.2 Å²	141.2	83%	0.826	80%	0.799	S	S	*	*			trans	65.4	147.1	154.7	0	0	0	0	0	117.1
387	E	32.8	Very low	33	Very low	183 Å²	183	142.2 Å²	142.2	86%	0.855	79%	0.79	S	S	*	*			cis	-146.4	151.3	25.4	-78.3	179.1	136.2	0	0	112.7
388	S	31.8	Very low	33.1	Very low	93 Å²	93	143.9 Å²	143.9	65%	0.65	79%	0.79	S	S	*	*			trans	-79.2	149	174	167.1	0	0	0	0	111.6
389	Y	34.3	Very low	32.9	Very low	231 Å²	231	142 Å²	142	91%	0.906	78%	0.782	S	S	*	*				-157.8	105.9	126.7	-82.1	-66.5	0	0	0	109.9
390	G	31.5	Very low	33	Very low	73 Å²	73	146.4 Å²	146.4	75%	0.753	80%	0.796	S	S	*	*			trans	-158	80.3	172	0	0	0	0	0	110.5
391	Y	29.3	Very low	32.7	Very low	228 Å²	228	146 Å²	146	89%	0.894	80%	0.795	S	S	*	*			trans	-69.6	127.4	178.8	-137.6	-96.3	0	0	0	110.9
392	R	39.4	Very low	32.9	Very low	240 Å²	240	147.5 Å²	147.5	91%	0.906	80%	0.8	S	S	*	*			trans	-148.6	125	157.7	-141.8	174.8	-158.5	170.4	5.5	110.9
393	P	39.4	Very low	32.9	Very low	107 Å²	107	149.6 Å²	149.6	70%	0.695	80%	0.804	S	S	*	*			trans	-79.9	162.1	-170.3	32.2	-35.4	0	0	0	113.7
394	P	29.4	Very low	33.2	Very low	138 Å²	138	146.6 Å²	146.6	90%	0.896	80%	0.803	S	S	*	*			trans	-94.7	141.7	-163.7	17.2	0.4	0	0	0	113.7
395	G	34.7	Very low	33.3	Very low	75 Å²	75	141 Å²	141	77%	0.773	80%	0.796	S	S	*	*			trans	-155.6	95.9	175.1	0	0	0	0	0	112.4
396	L	31.4	Very low	33.4	Very low	162 Å²	162	143.6 Å²	143.6	85%	0.848	80%	0.801	S	S	*	*			trans	78.4	112.8	138.4	-141.7	71	0	0	0	121.3
397	H	33.1	Very low	33.5	Very low	147 Å²	147	147.3 Å²	147.3	68%	0.681	81%	0.806	S	S	*	*			trans	99.7	100.7	138.9	-101.7	-115.5	0	0	0	121.8
398	H	33.7	Very low	33.7	Very low	142 Å²	142	147.5 Å²	147.5	66%	0.657	81%	0.807	S	S	*	*				71.1	102.2	118.8	-93.4	-80.2	0	0	0	121.7
399	F	32.9	Very low	33.8	Very low	171 Å²	171	148.1 Å²	148.1	75%	0.75	81%	0.808	S	S	*	*				32.5	116.2	123.2	-81.1	-88.8	0	0	0	119.2
400	M	35.1	Very low	33.8	Very low	192 Å²	192	144.5 Å²	144.5	95%	0.946	80%	0.804	S	S	*	*				-150.9	122.1	113.5	-84.6	-128.5	-177.8	0	0	111.3
401	N	28.7	Very low	33.9	Very low	139 Å²	139	146.7 Å²	146.7	74%	0.743	81%	0.805	S	S	*	*			trans	-62.5	139.2	162	-104.3	-20.8	0	0	0	109.9
402	T	33.4	Very low	33.9	Very low	143 Å²	143	145.7 Å²	145.7	88%	0.877	80%	0.801	S	S	*	*				-167.3	128.4	122.7	13.8	0	0	0	0	111.5
403	S	32.1	Very low	33.7	Very low	111 Å²	111	143.8 Å²	143.8	78%	0.776	80%	0.8	S	S	*	*			trans	-68.6	139.7	176.8	48.4	0	0	0	0	113.8
404	A	36.8	Very low	33.3	Very low	97 Å²	97	142.9 Å²	142.9	80%	0.802	80%	0.796	S	S	*	*			trans	-174.2	121.7	135.3	0	0	0	0	0	111
405	P	36.6	Very low	33.6	Very low	121 Å²	121	145.9 Å²	145.9	79%	0.786	80%	0.795	S	S	*	*			trans	-106.8	-175.3	164.2	41.6	-30.6	0	0	0	110.2
406	P	34.7	Very low	33.2	Very low	122 Å²	122	148.2 Å²	148.2	79%	0.792	80%	0.798	S	S	*	*				-118.2	157.5	-77.9	33.1	-16.7	0	0	0	111.9
407	L	32.2	Very low	33.4	Very low	178 Å²	178	149.8 Å²	149.8	93%	0.932	80%	0.801	S	S	*	*			trans	-116.4	124.5	170.2	-84.4	166.3	0	0	0	111
408	Q	36.6	Very low	33.2	Very low	187 Å²	187	153.9 Å²	153.9	87%	0.874	81%	0.81	S	S	*	*			trans	-140	159.1	169.4	-106.2	-168.7	1.8	0	0	108.5
409	P	33.5	Very low	33.1	Very low	106 Å²	106	158.5 Å²	158.5	69%	0.688	82%	0.822	S	S	*	*				-128.2	161	-110.9	37.6	-22.5	0	0	0	116.6
410	L	35.5	Very low	33.1	Very low	155 Å²	155	155.7 Å²	155.7	81%	0.812	82%	0.819	S	S	*	*			trans	50.9	148.6	150.8	-73.3	166.1	0	0	0	119.9
411	P	33.8	Very low	32.8	Very low	119 Å²	119	152.7 Å²	152.7	77%	0.773	81%	0.812	S	S	*	*				-148.2	149.2	92.6	33.6	-13.2	0	0	0	117.3
412	Y	28.7	Very low	33.1	Very low	207 Å²	207	153 Å²	153	81%	0.812	82%	0.819	S	S	*	*			trans	-47.2	140.6	155.9	-127.3	-111.8	0	0	0	112.6
413	F	35.7	Very low	33	Very low	200 Å²	200	151.7 Å²	151.7	88%	0.877	82%	0.816	S	S	*	*			trans	-140.4	127.9	151	-116.9	-81.1	0	0	0	111.5
414	S	30.4	Very low	33.1	Very low	88 Å²	88	149.9 Å²	149.9	62%	0.615	81%	0.814	S	S	*	*			trans	-82.9	155.9	179.1	51.2	0	0	0	0	111.9
415	K	35.5	Very low	32.8	Very low	202 Å²	202	153.2 Å²	153.2	88%	0.878	82%	0.819	S	S	*	*			trans	-165.4	116.9	141.5	-108.6	166.5	-171.7	179.3	0	112
416	C	27.4	Very low	32.7	Very low	124 Å²	124	151.9 Å²	151.9	84%	0.838	82%	0.818	S	S	*	*			trans	-70.7	144.5	162	-72	0	0	0	0	110.7
417	Q	35.8	Very low	32.4	Very low	194 Å²	194	155.8 Å²	155.8	91%	0.907	83%	0.825	S	S	*	*			trans	-154.3	131.3	145.4	-146.3	143.2	-31.2	0	0	113.7
418	R	27.8	Very low	32.6	Very low	233 Å²	233	155.9 Å²	155.9	88%	0.879	82%	0.821	S	S	*	*			trans	-73.7	155.4	177.2	-77.2	175.4	176.8	169.7	-1.2	113.4
419	R	31.7	Very low	32.2	Very low	239 Å²	239	157.5 Å²	157.5	90%	0.902	83%	0.825	S	S	*	*			trans	-162.5	102.7	139.8	-104.1	177.7	179.1	173	0.1	109.1
420	T	34	Very low	32.3	Very low	113 Å²	113	160.7 Å²	160.7	69%	0.693	83%	0.833	S	S	*	*				58.8	97.4	96.5	56.2	0	0	0	0	116.6
421	T	28.4	Very low	32.4	Very low	129 Å²	129	162 Å²	162	79%	0.791	84%	0.835	S	S	*	*				38.9	119.1	128	56.2	0	0	0	0	120.4
422	T	34.1	Very low	32.4	Very low	146 Å²	146	165.5 Å²	165.5	90%	0.896	84%	0.841	S	S	*	*			trans	-147.9	141.7	133.4	-38.8	0	0	0	0	111.2
423	S	32.5	Very low	33.1	Very low	115 Å²	115	163.5 Å²	163.5	80%	0.804	84%	0.839	S	S	*	*			trans	-54	152.5	-171.9	-167.5	0	0	0	0	117.4
424	G	33.7	Very low	33.7	Very low	73 Å²	73	159.3 Å²	159.3	75%	0.753	83%	0.832	S	S	*	*			trans	178.2	82.7	166.5	0	0	0	0	0	112	A426	G424-A426 PolarHBondContact O-N 3.11Å
425	N	29.7	Very low	34.4	Very low	167 Å²	167	158.6 Å²	158.6	89%	0.893	82%	0.824	S	S	*	*			trans	-59.9	119.7	171.2	-79.9	-22	0	0	0	110.8
426	A	35.4	Very low	34.9	Very low	92 Å²	92	152.7 Å²	152.7	76%	0.76	81%	0.806	S	S	*	*			trans	-145.2	109.6	155	0	0	0	0	0	107.9	G424 E428	G424-A426 PolarHBondContact O-N 3.11Å; A426-E428 PolarHBondContact O-N 3.46Å
427	Q	28.9	Very low	36	Very low	205 Å²	205	151.8 Å²	151.8	96%	0.958	80%	0.798	S	S	*	*			trans	-84.7	97	-177.6	-157.6	175.8	-34.1	0	0	107.3
428	E	35	Very low	36.7	Very low	180 Å²	180	149.9 Å²	149.9	84%	0.841	79%	0.79	S	S	*	*			trans	-120.6	108.6	173.7	-137.8	172	170	0	0	108.7	A426 M430	A426-E428 PolarHBondContact O-N 3.46Å; E428-M430 PolarHBondContact O-N 3.4Å
429	K	28.1	Very low	37.7	Very low	220 Å²	220	142 Å²	142	96%	0.957	77%	0.767	S	S	*	*			trans	-54.9	115.2	168.4	-94	176.2	167.6	-179.3	0	108
430	M	35.6	Very low	38.3	Very low	174 Å²	174	135.9 Å²	135.9	86%	0.857	75%	0.747	S	S	*	*			trans	-118	117.4	166.2	-145.7	170.1	101.8	0	0	109.5	E428	E428-M430 PolarHBondContact O-N 3.4Å
431	E	37.3	Very low	39.2	Very low	183 Å²	183	136.5 Å²	136.5	86%	0.855	74%	0.742	S	S	*	*			trans	-58.3	139.5	-177.3	-153.5	146.4	106.4	0	0	112.1	Q433	E431-Q433 PolarHBondContact O-N 3.07Å; E431-Q433 VanDerWaalsContact O-N 3.14Å
432	E	34.9	Very low	40.4	Very low	192 Å²	192	133.1 Å²	133.1	90%	0.897	72%	0.718	S	S	*	*			trans	-66	106	-178	-163.7	163.2	149.2	0	0	110.6
433	Q	42.5	Very low	41.4	Very low	164 Å²	164	131.1 Å²	131.1	77%	0.766	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-82.2	130.4	-179.7	-149.1	166.9	-9.1	0	0	109.8	E431 V435	E431-Q433 PolarHBondContact O-N 3.07Å; E431-Q433 VanDerWaalsContact O-N 3.14Å; Q433-V435 PolarHBondContact O-N 3.49Å
434	P	48.6	Very low	42.8	Very low	112 Å²	112	131.7 Å²	131.7	73%	0.727	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-70.5	129.8	-170.9	1.8	9.2	0	0	0	111.3
435	V	44.6	Very low	44.2	Very low	73 Å²	73	131.6 Å²	131.6	44%	0.442	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-53.1	131.1	171.3	-176.9	0	0	0	0	109.8	Q433 K440	Q433-V435 PolarHBondContact O-N 3.49Å; V435-K440 HydrophobicContact CB-CD 4.34Å; V435-K440 HydrophobicContact CB-CG 4.14Å; V435-K440 HydrophobicContact CG1-CG 3.92Å
436	P	46.2	Very low	45.8	Very low	78 Å²	78	124.2 Å²	124.2	51%	0.506	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-58.6	144.5	178.3	10.1	-14.5	0	0	0	111.4	E438 T439	P436-E438 PolarHBondContact O-N 3.37Å; P436-E438 VanDerWaalsContact O-N 3.1Å; P436-T439 PolarHBondContact O-N 3.19Å; P436-T439 VanDerWaalsContact O-N 3.12Å
437	P	50.7	Low	47.3	Very low	105 Å²	105	127.1 Å²	127.1	68%	0.682	63%	0.631	S	S	*	*	H	α-helix	trans	-57.9	-30.8	-171.4	19.6	-30.8	0	0	0	113.5	T439 Q441	P437-T439 PolarHBondContact O-N 3.22Å; P437-Q441 PolarHBondContact O-N 2.98Å; P437-Q441 VanDerWaalsContact O-N 3.16Å
438	E	51.2	Low	49.5	Very low	155 Å²	155	119.6 Å²	119.6	72%	0.724	60%	0.601	S	S	*	*	H	α-helix	trans	-68.8	-33.5	-179.8	-64.3	-176.1	155.8	0	0	113.5	P436 H442	P436-E438 PolarHBondContact O-N 3.37Å; P436-E438 VanDerWaalsContact O-N 3.1Å; E438-H442 PolarHBondContact O-N 3.49Å
439	T	48.5	Very low	51.4	Low	67 Å²	67	112.6 Å²	112.6	41%	0.411	57%	0.569	S	S	.	*	H	α-helix	trans	-78.2	-32.4	-179.6	-25.9	0	0	0	0	111.8	P436 P437 N443	P436-T439 PolarHBondContact O-N 3.19Å; P436-T439 VanDerWaalsContact O-N 3.12Å; P437-T439 PolarHBondContact O-N 3.22Å; T439-N443 WeakPolarHBondContact O-CB 3.48Å; T439-N443 PolarHBondContact O-N 2.95Å
440	K	44.2	Very low	53.6	Low	110 Å²	110	105 Å²	105	48%	0.478	54%	0.539	S	S	.	.	H	α-helix	trans	-64.3	-45.1	170.9	-81.3	178.7	167.2	173.4	0	110.8	V435 H442 N443 E444	V435-K440 HydrophobicContact CB-CD 4.34Å; V435-K440 HydrophobicContact CB-CG 4.14Å; V435-K440 HydrophobicContact CG1-CG 3.92Å; K440-H442 PolarHBondContact O-N 3.11Å; K440-N443 PolarHBondContact O-N 3.14Å; K440-E444 WeakPolarHBondContact O-CB 3.36Å; K440-E444 VanDerWaalsContact O-CG 3.25Å; K440-E444 WeakPolarHBondContact O-CG 3.38Å; K440-E444 PolarHBondContact O-N 3.47Å
441	Q	52.3	Low	55.7	Low	126 Å²	126	100.2 Å²	100.2	59%	0.589	51%	0.514	S	S	*	.	H	α-helix	trans	-66	-36.7	-178.6	-162	169.8	5.4	0	0	113.2	P437 T445	P437-Q441 PolarHBondContact O-N 2.98Å; P437-Q441 VanDerWaalsContact O-N 3.16Å; Q441-T445 PolarHBondContact O-N 3.09Å; Q441-T445 PolarHBondContact O-OG1 3.4Å
442	H	54.4	Low	57.7	Low	59 Å²	59	95.8 Å²	95.8	27%	0.273	50%	0.495	S	S	.	.	H	α-helix	trans	-68.8	-40.5	174.7	-166.8	-82.5	0	0	0	112.3	R324 E438 K440 T445 A446	R324-H442 PolarHBondContact O-NE2 3.23Å; E438-H442 PolarHBondContact O-N 3.49Å; K440-H442 PolarHBondContact O-N 3.11Å; H442-T445 WeakPolarHBondContact CA-OG1 3.39Å; H442-T445 PolarHBondContact O-OG1 3.14Å; H442-A446 WeakPolarHBondContact O-CB 3.31Å; H442-A446 PolarHBondContact O-N 3.06Å
443	N	55.3	Low	59.9	Low	103 Å²	103	86.7 Å²	86.7	55%	0.551	45%	0.453	S	S	*	.	H	α-helix	trans	-69.6	-35.8	176.4	-75.1	-10.8	0	0	0	112.2	T439 K440 Y447	T439-N443 WeakPolarHBondContact O-CB 3.48Å; T439-N443 PolarHBondContact O-N 2.95Å; K440-N443 PolarHBondContact O-N 3.14Å; N443-Y447 WeakPolarHBondContact O-CB 3.38Å; N443-Y447 PolarHBondContact O-N 3.1Å
444	E	61.2	Low	61.7	Low	127 Å²	127	83.2 Å²	83.2	59%	0.593	44%	0.439	S	S	*	.	H	α-helix	trans	-66.4	-42.3	174.7	-76.2	172	173.1	0	0	112	K440 S448	K440-E444 WeakPolarHBondContact O-CB 3.36Å; K440-E444 VanDerWaalsContact O-CG 3.25Å; K440-E444 WeakPolarHBondContact O-CG 3.38Å; K440-E444 PolarHBondContact O-N 3.47Å; E444-S448 WeakPolarHBondContact O-CB 3.41Å; E444-S448 PolarHBondContact O-N 3Å
445	T	63.9	Low	63.4	Low	71 Å²	71	84.5 Å²	84.5	44%	0.436	43%	0.433	S	S	.	.	H	α-helix	trans	-69.8	-40.6	176.9	42.1	0	0	0	0	112.5	Q441 H442 S448 N449	Q441-T445 PolarHBondContact O-N 3.09Å; Q441-T445 PolarHBondContact O-OG1 3.4Å; H442-T445 WeakPolarHBondContact CA-OG1 3.39Å; H442-T445 PolarHBondContact O-OG1 3.14Å; T445-S448 PolarHBondContact O-N 2.85Å; T445-N449 WeakPolarHBondContact O-CB 3.39Å; T445-N449 PolarHBondContact O-N 3.01Å; T445-N449 PolarHBondContact O-ND2 3.37Å
446	A	62.2	Low	65.3	Low	12 Å²	12	83 Å²	83	10%	0.099	42%	0.422	C	S	.	.	H	α-helix	trans	-58.1	-51.3	171.2	0	0	0	0	0	111.7	T322 H442 S448 N449 D450	T322-A446 HydrophobicContact CG2-CB 3.46Å; T322-A446 VanDerWaalsContact CG2-CB 3.46Å; H442-A446 WeakPolarHBondContact O-CB 3.31Å; H442-A446 PolarHBondContact O-N 3.06Å; A446-S448 VanDerWaalsContact C-N 3.31Å; A446-S448 PolarHBondContact O-N 3.36Å; A446-N449 PolarHBondContact O-N 2.99Å; A446-D450 PolarHBondContact O-N 2.9Å
447	Y	67	Low	67.1	Low	154 Å²	154	79.8 Å²	79.8	60%	0.604	40%	0.401	S	S	*	.	H	α-helix	trans	-61.2	-39.9	177.3	-176.9	-107.3	0	0	0	112.3	N443 Q451	N443-Y447 WeakPolarHBondContact O-CB 3.38Å; N443-Y447 PolarHBondContact O-N 3.1Å; Y447-Q451 HydrophobicContact CD1-CG 4.46Å; Y447-Q451 HydrophobicContact CE1-CG 4.2Å; Y447-Q451 WeakPolarHBondContact O-CB 3.45Å; Y447-Q451 WeakPolarHBondContact O-CG 3.38Å; Y447-Q451 PolarHBondContact O-N 3.35Å; Y447-Q451 PolarHBondContact OH-NE2 3.45Å
448	S	75.5	Confident	68.7	Low	47 Å²	47	83.7 Å²	83.7	33%	0.329	40%	0.402	S	S	.	.	H	α-helix	trans	-62.8	-44.2	175.6	-172.6	0	0	0	0	112.2	E444 T445 A446 Q451 M452	E444-S448 WeakPolarHBondContact O-CB 3.41Å; E444-S448 PolarHBondContact O-N 3Å; T445-S448 PolarHBondContact O-N 2.85Å; A446-S448 VanDerWaalsContact C-N 3.31Å; A446-S448 PolarHBondContact O-N 3.36Å; S448-Q451 PolarHBondContact O-N 2.69Å; S448-M452 WeakPolarHBondContact O-CB 3.37Å; S448-M452 VanDerWaalsContact O-CG 3.26Å; S448-M452 WeakPolarHBondContact O-CG 3.07Å; S448-M452 PolarHBondContact O-N 2.9Å
449	N	75.1	Confident	70.4	Confident	33 Å²	33	81.7 Å²	81.7	18%	0.176	40%	0.395	C	S	.	.	H	α-helix	trans	-65.5	-41	178.5	-70.5	-27.9	0	0	0	112.5	T322 T445 A446 M452 A453	T322-N449 WeakPolarHBondContact OG1-CB 3.26Å; T445-N449 WeakPolarHBondContact O-CB 3.39Å; T445-N449 PolarHBondContact O-N 3.01Å; T445-N449 PolarHBondContact O-ND2 3.37Å; A446-N449 PolarHBondContact O-N 2.99Å; N449-M452 WeakPolarHBondContact O-CB 3.3Å; N449-M452 PolarHBondContact O-N 3.07Å; N449-A453 WeakPolarHBondContact O-CB 3.46Å; N449-A453 PolarHBondContact O-N 3.16Å
450	D	74.1	Confident	72.2	Confident	61 Å²	61	79 Å²	79	33%	0.326	38%	0.379	S	S	.	.	H	α-helix	trans	-67.7	-37.2	176.3	-75.8	0.1	0	0	0	111.6	T322 A446 A453 L454	T322-D450 WeakPolarHBondContact CB-OD1 3.26Å; T322-D450 WeakPolarHBondContact CG2-OD1 3.37Å; T322-D450 PolarHBondContact OG1-OD1 2.83Å; A446-D450 PolarHBondContact O-N 2.9Å; D450-A453 PolarHBondContact O-N 3.34Å; D450-L454 WeakPolarHBondContact O-CG 3.41Å; D450-L454 PolarHBondContact O-N 2.8Å
451	Q	79	Confident	74.1	Confident	72 Å²	72	75.9 Å²	75.9	34%	0.336	37%	0.371	S	S	.	.	H	α-helix	trans	-65.5	-38.6	170.6	-76.7	-163.6	-11.1	0	0	112.3	Y447 S448 L454 K455	Y447-Q451 HydrophobicContact CD1-CG 4.46Å; Y447-Q451 HydrophobicContact CE1-CG 4.2Å; Y447-Q451 WeakPolarHBondContact O-CB 3.45Å; Y447-Q451 WeakPolarHBondContact O-CG 3.38Å; Y447-Q451 PolarHBondContact O-N 3.35Å; Y447-Q451 PolarHBondContact OH-NE2 3.45Å; S448-Q451 PolarHBondContact O-N 2.69Å; Q451-L454 PolarHBondContact O-N 2.97Å; Q451-K455 WeakPolarHBondContact O-CB 3.47Å; Q451-K455 VanDerWaalsContact O-CG 3.26Å; Q451-K455 WeakPolarHBondContact O-CG 3.4Å; Q451-K455 PolarHBondContact O-N 3.27Å
452	M	80.6	Confident	75.7	Confident	90 Å²	90	77.6 Å²	77.6	44%	0.443	37%	0.373	S	S	.	.	H	α-helix	trans	-64.1	-44.6	174.7	-74.5	-179.4	-173.6	0	0	111	S448 N449 L454 K455 I456	S448-M452 WeakPolarHBondContact O-CB 3.37Å; S448-M452 VanDerWaalsContact O-CG 3.26Å; S448-M452 WeakPolarHBondContact O-CG 3.07Å; S448-M452 PolarHBondContact O-N 2.9Å; N449-M452 WeakPolarHBondContact O-CB 3.3Å; N449-M452 PolarHBondContact O-N 3.07Å; M452-L454 PolarHBondContact O-N 2.96Å; M452-K455 WeakPolarHBondContact O-CB 2.98Å; M452-K455 PolarHBondContact O-N 2.92Å; M452-K455 VanDerWaalsContact O-N 3.17Å; M452-I456 WeakPolarHBondContact O-CD1 3.37Å; M452-I456 VanDerWaalsContact O-CG1 3.23Å; M452-I456 WeakPolarHBondContact O-CG1 3.49Å; M452-I456 PolarHBondContact O-N 2.82Å
453	A	80.1	Confident	77.3	Confident	2 Å²	2	77.5 Å²	77.5	2%	0.017	38%	0.376	C	S	.	.	H	α-helix	trans	-57.1	-46.2	174.8	0	0	0	0	0	112	T257 V315 N449 D450 K455 I456 D457	T257-A453 HydrophobicContact CG2-CB 4.37Å; V315-A453 HydrophobicContact CG1-CB 4.18Å; N449-A453 WeakPolarHBondContact O-CB 3.46Å; N449-A453 PolarHBondContact O-N 3.16Å; D450-A453 PolarHBondContact O-N 3.34Å; A453-K455 PolarHBondContact O-N 2.99Å; A453-I456 PolarHBondContact O-N 3.48Å; A453-D457 PolarHBondContact O-N 3.39Å
454	L	80.7	Confident	79	Confident	91 Å²	91	73.8 Å²	73.8	48%	0.476	36%	0.355	S	S	.	.	H	α-helix	trans	-65.1	-36.1	176	-73.5	167.4	0	0	0	113.2	T257 D450 Q451 M452 R458	T257-L454 HydrophobicContact CG2-CD2 3.59Å; T257-L454 HydrophobicContact CG2-CG 4.01Å; D450-L454 WeakPolarHBondContact O-CG 3.41Å; D450-L454 PolarHBondContact O-N 2.8Å; Q451-L454 PolarHBondContact O-N 2.97Å; M452-L454 PolarHBondContact O-N 2.96Å; L454-R458 WeakPolarHBondContact O-CB 3.24Å; L454-R458 PolarHBondContact O-N 3Å
455	K	84.5	Confident	80.3	Confident	139 Å²	139	69.2 Å²	69.2	60%	0.604	34%	0.337	S	S	*	.	H	α-helix	trans	-66.9	-39.6	174.7	-76.9	173.7	-177.1	177.1	0	111.5	Q451 M452 A453 R458 L459	Q451-K455 WeakPolarHBondContact O-CB 3.47Å; Q451-K455 VanDerWaalsContact O-CG 3.26Å; Q451-K455 WeakPolarHBondContact O-CG 3.4Å; Q451-K455 PolarHBondContact O-N 3.27Å; M452-K455 WeakPolarHBondContact O-CB 2.98Å; M452-K455 PolarHBondContact O-N 2.92Å; M452-K455 VanDerWaalsContact O-N 3.17Å; A453-K455 PolarHBondContact O-N 2.99Å; K455-R458 PolarHBondContact O-N 2.85Å; K455-L459 WeakPolarHBondContact O-CB 3.19Å; K455-L459 PolarHBondContact O-N 3.4Å
456	I	84.9	Confident	81.5	Confident	42 Å²	42	69.6 Å²	69.6	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-52.6	176.8	-67.8	159.7	0	0	0	109.5	E311 V315 L318 M452 A453 R458 L459 S460	E311-I456 HydrophobicContact CG-CG2 4.32Å; V315-I456 HydrophobicContact CG2-CB 4.43Å; V315-I456 HydrophobicContact CG2-CG2 3.97Å; L318-I456 HydrophobicContact CD1-CD1 3.39Å; M452-I456 WeakPolarHBondContact O-CD1 3.37Å; M452-I456 VanDerWaalsContact O-CG1 3.23Å; M452-I456 WeakPolarHBondContact O-CG1 3.49Å; M452-I456 PolarHBondContact O-N 2.82Å; A453-I456 PolarHBondContact O-N 3.48Å; I456-R458 VanDerWaalsContact C-N 3.28Å; I456-R458 PolarHBondContact O-N 3.28Å; I456-L459 WeakPolarHBondContact O-CB 3.29Å; I456-L459 PolarHBondContact O-N 3.12Å; I456-S460 WeakPolarHBondContact O-CB 3.45Å; I456-S460 PolarHBondContact O-N 3.34Å; I456-S460 PolarHBondContact O-OG 2.59Å
457	D	83.9	Confident	82.9	Confident	9 Å²	9	73.1 Å²	73.1	5%	0.048	36%	0.356	C	S	.	.	H	α-helix	trans	-54.1	-44.8	176.7	-78.8	-16.7	0	0	0	112	T257 R263 E311 V315 A453 L459 S460 C461	T257-D457 WeakPolarHBondContact CG2-OD2 3.4Å; R263-D457 IonicContact CZ-OD1 3.31Å; R263-D457 VanDerWaalsContact CZ-OD1 3.31Å; R263-D457 IonicContact CZ-OD2 3.72Å; R263-D457 IonicContact NH1-OD1 3.04Å; R263-D457 PolarHBondContact NH1-OD1 2.68Å; R263-D457 IonicContact NH1-OD2 2.74Å; R263-D457 PolarHBondContact NH1-OD2 3.44Å; R263-D457 IonicContact NH2-OD1 2.88Å; R263-D457 PolarHBondContact NH2-OD1 3.18Å; R263-D457 IonicContact NH2-OD2 3.05Å; E311-D457 VanDerWaalsContact OE1-OD1 3.14Å; V315-D457 WeakPolarHBondContact CG2-OD1 3.48Å; A453-D457 PolarHBondContact O-N 3.39Å; D457-L459 PolarHBondContact O-N 3.49Å; D457-S460 PolarHBondContact O-N 2.87Å; D457-C461 WeakPolarHBondContact O-CB 3.36Å; D457-C461 PolarHBondContact O-N 2.93Å
458	R	83.4	Confident	84.1	Confident	188 Å²	188	66 Å²	66	71%	0.709	33%	0.328	S	S	*	.	H	α-helix	trans	-65.4	-38.8	179.1	-175.8	177.8	-76.3	177.9	-4.3	111.9	L454 K455 I456 C461 Y462	L454-R458 WeakPolarHBondContact O-CB 3.24Å; L454-R458 PolarHBondContact O-N 3Å; K455-R458 PolarHBondContact O-N 2.85Å; I456-R458 VanDerWaalsContact C-N 3.28Å; I456-R458 PolarHBondContact O-N 3.28Å; R458-C461 WeakPolarHBondContact O-CB 3.37Å; R458-Y462 HydrophobicContact CG-CE2 4.4Å; R458-Y462 WeakPolarHBondContact O-CD2 3.48Å
459	L	86.8	Confident	84.9	Confident	112 Å²	112	67.6 Å²	67.6	59%	0.586	34%	0.336	S	S	*	.	H	α-helix	trans	-67.9	-46	175.6	-178	64	0	0	0	110.6	K455 I456 D457 C461 Y462 V463	K455-L459 WeakPolarHBondContact O-CB 3.19Å; K455-L459 PolarHBondContact O-N 3.4Å; I456-L459 WeakPolarHBondContact O-CB 3.29Å; I456-L459 PolarHBondContact O-N 3.12Å; D457-L459 PolarHBondContact O-N 3.49Å; L459-C461 PolarHBondContact O-N 2.99Å; L459-Y462 PolarHBondContact O-N 3.3Å; L459-V463 HydrophobicContact CD1-CG2 3.77Å; L459-V463 HydrophobicContact CG-CG2 3.85Å; L459-V463 WeakPolarHBondContact O-CG2 3.26Å; L459-V463 PolarHBondContact O-N 3.42Å
460	S	86.3	Confident	85.8	Confident	10 Å²	10	70.2 Å²	70.2	7%	0.07	35%	0.349	C	S	.	.	H	α-helix	trans	-55.4	-39.8	176.4	-59.3	0	0	0	0	111.7	E311 I456 D457 Y462 V463 F464	E311-S460 VanDerWaalsContact CG-OG 3.26Å; E311-S460 WeakPolarHBondContact CG-OG 3.09Å; E311-S460 WeakPolarHBondContact OE1-CB 3.46Å; E311-S460 PolarHBondContact OE1-OG 3.16Å; I456-S460 WeakPolarHBondContact O-CB 3.45Å; I456-S460 PolarHBondContact O-N 3.34Å; I456-S460 PolarHBondContact O-OG 2.59Å; D457-S460 PolarHBondContact O-N 2.87Å; S460-Y462 PolarHBondContact O-N 2.96Å; S460-Y462 VanDerWaalsContact O-N 3.1Å; S460-V463 PolarHBondContact O-N 3.05Å; S460-F464 WeakPolarHBondContact O-CB 3.44Å; S460-F464 WeakPolarHBondContact O-CD2 3.34Å; S460-F464 PolarHBondContact O-N 3.28Å
461	C	85	Confident	86.7	Confident	45 Å²	45	69.2 Å²	69.2	30%	0.304	34%	0.342	S	S	.	.	H	α-helix	trans	-58.4	-23.4	177	-167.9	0	0	0	0	114.2	D457 R458 L459 P465	D457-C461 WeakPolarHBondContact O-CB 3.36Å; D457-C461 PolarHBondContact O-N 2.93Å; R458-C461 WeakPolarHBondContact O-CB 3.37Å; L459-C461 PolarHBondContact O-N 2.99Å; C461-P465 WeakPolarHBondContact O-CD 3.38Å; C461-P465 VanDerWaalsContact O-CG 3.28Å; C461-P465 WeakPolarHBondContact O-CG 3.3Å
462	Y	85.4	Confident	87.4	Confident	162 Å²	162	66.7 Å²	66.7	64%	0.635	33%	0.331	S	S	*	.	H	α-helix	trans	-104	-39.3	175.1	-65	-72.4	0	0	0	112.5	R458 L459 S460 T466	R458-Y462 HydrophobicContact CG-CE2 4.4Å; R458-Y462 WeakPolarHBondContact O-CD2 3.48Å; L459-Y462 PolarHBondContact O-N 3.3Å; S460-Y462 PolarHBondContact O-N 2.96Å; S460-Y462 VanDerWaalsContact O-N 3.1Å; Y462-T466 WeakPolarHBondContact O-CB 3.48Å; Y462-T466 WeakPolarHBondContact O-CG2 3.26Å; Y462-T466 PolarHBondContact O-N 3.4Å; Y462-T466 VanDerWaalsContact O-N 3.08Å; Y462-T466 PolarHBondContact O-OG1 3.12Å
463	V	89.3	Confident	88	Confident	57 Å²	57	67 Å²	67	35%	0.345	33%	0.333	S	S	.	.	H	α-helix	trans	-66.7	-45.2	-175.8	172.3	0	0	0	0	111.3	L459 S460 T466 L467	L459-V463 HydrophobicContact CD1-CG2 3.77Å; L459-V463 HydrophobicContact CG-CG2 3.85Å; L459-V463 WeakPolarHBondContact O-CG2 3.26Å; L459-V463 PolarHBondContact O-N 3.42Å; S460-V463 PolarHBondContact O-N 3.05Å; V463-T466 WeakPolarHBondContact CA-OG1 3.3Å; V463-T466 PolarHBondContact O-N 3.13Å; V463-T466 PolarHBondContact O-OG1 3.22Å; V463-L467 HydrophobicContact CG1-CD1 3.71Å; V463-L467 HydrophobicContact CG1-CG 4.29Å; V463-L467 WeakPolarHBondContact O-CB 3.4Å; V463-L467 VanDerWaalsContact O-CG 3.27Å; V463-L467 WeakPolarHBondContact O-CG 3.45Å; V463-L467 PolarHBondContact O-N 3.12Å
464	F	89.1	Confident	88.6	Confident	25 Å²	25	74 Å²	74	11%	0.11	36%	0.364	C	S	.	.	H	α-helix	trans	-64.7	-49	-178.5	-80.8	-91.7	0	0	0	112.6	F253 C307 E311 S460 T466 L467 F468	F253-F464 HydrophobicContact CE1-CE2 4.48Å; F253-F464 HydrophobicContact CE2-CB 3.95Å; F253-F464 HydrophobicContact CE2-CD1 4.49Å; F253-F464 AromaticContact CE2-CD2 3.81Å; F253-F464 HydrophobicContact CE2-CD2 3.81Å; F253-F464 HydrophobicContact CE2-CE2 4.42Å; F253-F464 AromaticContact CE2-CG 3.85Å; F253-F464 HydrophobicContact CE2-CG 3.85Å; F253-F464 HydrophobicContact CZ-CD1 4.36Å; F253-F464 AromaticContact CZ-CD2 3.7Å; F253-F464 HydrophobicContact CZ-CD2 3.7Å; F253-F464 HydrophobicContact CZ-CE1 4.46Å; F253-F464 AromaticContact CZ-CE2 3.84Å; F253-F464 HydrophobicContact CZ-CE2 3.84Å; F253-F464 AromaticContact CZ-CG 3.97Å; F253-F464 HydrophobicContact CZ-CG 3.97Å; F253-F464 HydrophobicContact CZ-CZ 4.22Å; C307-F464 HydrophobicContact CB-CE1 3.63Å; C307-F464 HydrophobicContact CB-CZ 4.09Å; E311-F464 HydrophobicContact CB-CE2 4.35Å; E311-F464 HydrophobicContact CB-CZ 4.31Å; E311-F464 HydrophobicContact CG-CE2 4.28Å; S460-F464 WeakPolarHBondContact O-CB 3.44Å; S460-F464 WeakPolarHBondContact O-CD2 3.34Å; S460-F464 PolarHBondContact O-N 3.28Å; F464-T466 PolarHBondContact O-N 2.95Å; F464-L467 PolarHBondContact O-N 2.96Å; F464-F468 WeakPolarHBondContact O-CB 3.43Å; F464-F468 PolarHBondContact O-N 3.47Å
465	P	88.6	Confident	89.3	Confident	32 Å²	32	70 Å²	70	21%	0.208	34%	0.342	C	S	.	.	H	α-helix	trans	-62.7	-40.5	175.7	-26.4	36.3	0	0	0	114.1	W250 C461 F468 V469	W250-P465 HydrophobicContact CD2-CG 3.91Å; W250-P465 HydrophobicContact CE3-CB 4.06Å; W250-P465 HydrophobicContact CE3-CG 3.66Å; W250-P465 VanDerWaalsContact CH2-CA 3.5Å; W250-P465 HydrophobicContact CH2-CB 3.84Å; W250-P465 HydrophobicContact CH2-CG 4.2Å; W250-P465 HydrophobicContact CZ2-CB 4.39Å; W250-P465 HydrophobicContact CZ2-CG 4.44Å; W250-P465 HydrophobicContact CZ3-CB 3.65Å; W250-P465 HydrophobicContact CZ3-CG 3.8Å; C461-P465 WeakPolarHBondContact O-CD 3.38Å; C461-P465 VanDerWaalsContact O-CG 3.28Å; C461-P465 WeakPolarHBondContact O-CG 3.3Å; P465-F468 PolarHBondContact O-N 3.03Å; P465-V469 VanDerWaalsContact O-CG2 3.28Å; P465-V469 WeakPolarHBondContact O-CG2 3.32Å; P465-V469 PolarHBondContact O-N 2.88Å
466	T	89.5	Confident	89.6	Confident	79 Å²	79	66.3 Å²	66.3	49%	0.485	33%	0.325	S	S	.	.	H	α-helix	trans	-65.6	-42.7	179.9	53.3	0	0	0	0	111.9	Y462 V463 F464 F468 V469 L470	Y462-T466 WeakPolarHBondContact O-CB 3.48Å; Y462-T466 WeakPolarHBondContact O-CG2 3.26Å; Y462-T466 PolarHBondContact O-N 3.4Å; Y462-T466 VanDerWaalsContact O-N 3.08Å; Y462-T466 PolarHBondContact O-OG1 3.12Å; V463-T466 WeakPolarHBondContact CA-OG1 3.3Å; V463-T466 PolarHBondContact O-N 3.13Å; V463-T466 PolarHBondContact O-OG1 3.22Å; F464-T466 PolarHBondContact O-N 2.95Å; T466-F468 VanDerWaalsContact C-N 3.34Å; T466-F468 PolarHBondContact O-N 2.84Å; T466-V469 PolarHBondContact O-N 2.96Å; T466-L470 WeakPolarHBondContact O-CG 3.17Å; T466-L470 PolarHBondContact O-N 2.92Å
467	L	92.3	Very high	90	Very high	86 Å²	86	68.7 Å²	68.7	45%	0.45	34%	0.341	S	S	.	.	H	α-helix	trans	-62.4	-40.2	174.4	-72.2	174.5	0	0	0	112.2	F304 V463 F464 L470 F471	F304-L467 HydrophobicContact CE1-CB 3.96Å; F304-L467 HydrophobicContact CZ-CB 4.43Å; V463-L467 HydrophobicContact CG1-CD1 3.71Å; V463-L467 HydrophobicContact CG1-CG 4.29Å; V463-L467 WeakPolarHBondContact O-CB 3.4Å; V463-L467 VanDerWaalsContact O-CG 3.27Å; V463-L467 WeakPolarHBondContact O-CG 3.45Å; V463-L467 PolarHBondContact O-N 3.12Å; F464-L467 PolarHBondContact O-N 2.96Å; L467-L470 PolarHBondContact O-N 2.88Å; L467-F471 WeakPolarHBondContact O-CB 3.37Å; L467-F471 PolarHBondContact O-N 2.72Å
468	F	92.4	Very high	90.4	Very high	4 Å²	4	76.3 Å²	76.3	2%	0.018	37%	0.37	C	S	.	.	H	α-helix	trans	-68.5	-38.7	177.5	-175	-106.4	0	0	0	112.5	F243 I246 W250 W297 F304 F464 P465 T466 F471 N472	F243-F468 AromaticContact CD1-CE1 3.67Å; F243-F468 HydrophobicContact CD1-CE1 3.67Å; F243-F468 AromaticContact CD1-CZ 3.73Å; F243-F468 HydrophobicContact CD1-CZ 3.73Å; F243-F468 AromaticContact CE1-CE1 3.61Å; F243-F468 HydrophobicContact CE1-CE1 3.61Å; F243-F468 AromaticContact CE1-CZ 3.66Å; F243-F468 HydrophobicContact CE1-CZ 3.66Å; I246-F468 HydrophobicContact CD1-CD2 4.17Å; I246-F468 HydrophobicContact CD1-CE1 4.45Å; I246-F468 HydrophobicContact CD1-CE2 3.32Å; I246-F468 HydrophobicContact CD1-CZ 3.47Å; I246-F468 VanDerWaalsContact CD1-CZ 3.47Å; I246-F468 HydrophobicContact CG2-CD1 4.44Å; I246-F468 HydrophobicContact CG2-CD2 4.37Å; I246-F468 HydrophobicContact CG2-CE1 4.34Å; I246-F468 HydrophobicContact CG2-CE2 4.34Å; I246-F468 HydrophobicContact CG2-CG 4.42Å; I246-F468 HydrophobicContact CG2-CZ 4.3Å; W250-F468 HydrophobicContact CH2-CB 3.78Å; W250-F468 AromaticContact CH2-CD1 3.54Å; W250-F468 HydrophobicContact CH2-CD1 3.54Å; W250-F468 HydrophobicContact CH2-CE1 4.41Å; W250-F468 AromaticContact CH2-CG 3.91Å; W250-F468 HydrophobicContact CH2-CG 3.91Å; W250-F468 HydrophobicContact CZ2-CB 3.51Å; W250-F468 AromaticContact CZ2-CD1 3.83Å; W250-F468 HydrophobicContact CZ2-CD1 3.83Å; W250-F468 AromaticContact CZ2-CG 3.74Å; W250-F468 HydrophobicContact CZ2-CG 3.74Å; W297-F468 HydrophobicContact CH2-CE2 4.34Å; W297-F468 AromaticContact CH2-CZ 3.94Å; W297-F468 HydrophobicContact CH2-CZ 3.94Å; W297-F468 HydrophobicContact CZ2-CZ 4.32Å; F304-F468 AromaticContact CD2-CD2 3.91Å; F304-F468 HydrophobicContact CD2-CD2 3.91Å; F304-F468 AromaticContact CE2-CD2 3.95Å; F304-F468 HydrophobicContact CE2-CD2 3.95Å; F304-F468 HydrophobicContact CG-CD2 4.42Å; F304-F468 HydrophobicContact CZ-CD2 4.47Å; F464-F468 WeakPolarHBondContact O-CB 3.43Å; F464-F468 PolarHBondContact O-N 3.47Å; P465-F468 PolarHBondContact O-N 3.03Å; T466-F468 VanDerWaalsContact C-N 3.34Å; T466-F468 PolarHBondContact O-N 2.84Å; F468-F471 HydrophobicContact CD2-CD1 4.41Å; F468-F471 HydrophobicContact CE2-CD1 4.39Å; F468-F471 PolarHBondContact O-N 2.82Å; F468-N472 VanDerWaalsContact CD1-ND2 3.26Å; F468-N472 WeakPolarHBondContact CD1-ND2 3.38Å; F468-N472 WeakPolarHBondContact CE1-ND2 3.4Å; F468-N472 WeakPolarHBondContact CZ-ND2 3.34Å; F468-N472 WeakPolarHBondContact O-CB 3.32Å; F468-N472 PolarHBondContact O-N 3.43Å; F468-N472 PolarHBondContact O-ND2 2.86Å
469	V	91.7	Very high	90.7	Very high	80 Å²	80	69.3 Å²	69.3	49%	0.485	34%	0.344	S	S	.	.	H	α-helix	trans	-62.7	-44.2	174.3	169.4	0	0	0	0	110.8	P465 T466 N472 I473	P465-V469 VanDerWaalsContact O-CG2 3.28Å; P465-V469 WeakPolarHBondContact O-CG2 3.32Å; P465-V469 PolarHBondContact O-N 2.88Å; T466-V469 PolarHBondContact O-N 2.96Å; V469-N472 WeakPolarHBondContact O-CB 3.37Å; V469-N472 PolarHBondContact O-N 3.36Å; V469-I473 HydrophobicContact CG1-CD1 4.02Å; V469-I473 WeakPolarHBondContact O-CG1 3.36Å; V469-I473 PolarHBondContact O-N 2.79Å
470	L	93.5	Very high	90.6	Very high	89 Å²	89	69 Å²	69	47%	0.466	34%	0.343	S	S	.	.	H	α-helix	trans	-60.8	-47.1	175	-71	174.1	0	0	0	111.5	T466 L467 N472 I473 F474	T466-L470 WeakPolarHBondContact O-CG 3.17Å; T466-L470 PolarHBondContact O-N 2.92Å; L467-L470 PolarHBondContact O-N 2.88Å; L470-N472 VanDerWaalsContact C-N 3.29Å; L470-N472 PolarHBondContact O-N 3.29Å; L470-I473 PolarHBondContact O-N 3.22Å; L470-F474 WeakPolarHBondContact O-CD2 3.4Å; L470-F474 PolarHBondContact O-N 3.17Å
471	F	94.1	Very high	90.3	Very high	40 Å²	40	75.8 Å²	75.8	18%	0.175	39%	0.39	C	S	.	.	H	α-helix	trans	-56.4	-44.2	175.2	171.1	-101.8	0	0	0	111.8	W297 S300 F304 L467 F468 F474 Y475	W297-F471 AromaticContact CE3-CE1 3.71Å; W297-F471 HydrophobicContact CE3-CE1 3.71Å; W297-F471 HydrophobicContact CE3-CZ 4.31Å; W297-F471 HydrophobicContact CZ3-CD1 4.31Å; W297-F471 AromaticContact CZ3-CE1 3.72Å; W297-F471 HydrophobicContact CZ3-CE1 3.72Å; S300-F471 VanDerWaalsContact OG-CE2 3.31Å; S300-F471 WeakPolarHBondContact OG-CE2 3.18Å; S300-F471 WeakPolarHBondContact OG-CZ 3.33Å; F304-F471 HydrophobicContact CE2-CB 4.18Å; F304-F471 HydrophobicContact CE2-CD1 4.18Å; F304-F471 HydrophobicContact CE2-CG 4.09Å; F304-F471 HydrophobicContact CZ-CB 4.18Å; L467-F471 WeakPolarHBondContact O-CB 3.37Å; L467-F471 PolarHBondContact O-N 2.72Å; F468-F471 HydrophobicContact CD2-CD1 4.41Å; F468-F471 HydrophobicContact CE2-CD1 4.39Å; F468-F471 PolarHBondContact O-N 2.82Å; F471-F474 PolarHBondContact O-N 3.26Å; F471-Y475 HydrophobicContact CZ-CD2 4.06Å; F471-Y475 HydrophobicContact CZ-CG 4.44Å; F471-Y475 WeakPolarHBondContact O-CB 3.35Å; F471-Y475 PolarHBondContact O-N 3.44Å
472	N	93.4	Very high	90.5	Very high	18 Å²	18	77.3 Å²	77.3	10%	0.096	39%	0.394	C	S	.	.	H	α-helix	trans	-59.3	-49.2	176.3	-89.5	-89.6	0	0	0	111.8	F243 W297 F468 V469 L470 F474 Y475 W476	F243-N472 VanDerWaalsContact CE1-OD1 3.24Å; F243-N472 WeakPolarHBondContact CE1-OD1 3.41Å; F243-N472 WeakPolarHBondContact CZ-OD1 3.32Å; W297-N472 WeakPolarHBondContact CH2-OD1 3.28Å; W297-N472 WeakPolarHBondContact CZ3-OD1 3.37Å; F468-N472 VanDerWaalsContact CD1-ND2 3.26Å; F468-N472 WeakPolarHBondContact CD1-ND2 3.38Å; F468-N472 WeakPolarHBondContact CE1-ND2 3.4Å; F468-N472 WeakPolarHBondContact CZ-ND2 3.34Å; F468-N472 WeakPolarHBondContact O-CB 3.32Å; F468-N472 PolarHBondContact O-N 3.43Å; F468-N472 PolarHBondContact O-ND2 2.86Å; V469-N472 WeakPolarHBondContact O-CB 3.37Å; V469-N472 PolarHBondContact O-N 3.36Å; L470-N472 VanDerWaalsContact C-N 3.29Å; L470-N472 PolarHBondContact O-N 3.29Å; N472-F474 VanDerWaalsContact C-N 3.33Å; N472-F474 PolarHBondContact O-N 3.03Å; N472-Y475 PolarHBondContact O-N 3.09Å; N472-W476 WeakPolarHBondContact O-CB 3.33Å; N472-W476 PolarHBondContact O-N 3.25Å; N472-W476 PolarHBondContact OD1-NE1 3.12Å
473	I	92.9	Very high	90.8	Very high	97 Å²	97	72.8 Å²	72.8	50%	0.497	38%	0.381	S	S	.	.	H	α-helix	trans	-57.2	-49.2	179.4	-66.7	164.5	0	0	0	110.1	V469 L470 V477	V469-I473 HydrophobicContact CG1-CD1 4.02Å; V469-I473 WeakPolarHBondContact O-CG1 3.36Å; V469-I473 PolarHBondContact O-N 2.79Å; L470-I473 PolarHBondContact O-N 3.22Å; I473-V477 HydrophobicContact CG2-CG2 4.41Å; I473-V477 VanDerWaalsContact O-CB 3.28Å; I473-V477 WeakPolarHBondContact O-CB 3.37Å; I473-V477 WeakPolarHBondContact O-CG2 2.97Å; I473-V477 PolarHBondContact O-N 3.15Å
474	F	93.7	Very high	90.9	Very high	148 Å²	148	73.7 Å²	73.7	65%	0.649	38%	0.383	S	S	*	.	H	α-helix	trans	-63.1	-43.8	178.4	-74.6	-63.1	0	0	0	112.8	L470 F471 N472 Y478	L470-F474 WeakPolarHBondContact O-CD2 3.4Å; L470-F474 PolarHBondContact O-N 3.17Å; F471-F474 PolarHBondContact O-N 3.26Å; N472-F474 VanDerWaalsContact C-N 3.33Å; N472-F474 PolarHBondContact O-N 3.03Å; F474-Y478 WeakPolarHBondContact O-CB 3.5Å; F474-Y478 PolarHBondContact O-N 3.08Å
475	Y	93.6	Very high	91	Very high	7 Å²	7	76.6 Å²	76.6	3%	0.027	40%	0.399	C	S	.	.	H	α-helix	trans	-61	-52.9	-179.6	179.2	-91.2	0	0	0	111.6	Y239 A293 W297 F471 N472 Y478 Y479	Y239-Y475 AromaticContact CE1-CE1 3.79Å; Y239-Y475 HydrophobicContact CE1-CE1 3.79Å; Y239-Y475 PolarHBondContact OH-OH 3.24Å; A293-Y475 WeakPolarHBondContact O-CE2 3.43Å; A293-Y475 PolarHBondContact O-OH 3.33Å; W297-Y475 HydrophobicContact CB-CE2 3.77Å; W297-Y475 HydrophobicContact CD2-CE1 4.42Å; W297-Y475 AromaticContact CE3-CD1 3.66Å; W297-Y475 HydrophobicContact CE3-CD1 3.66Å; W297-Y475 HydrophobicContact CE3-CD2 4.09Å; W297-Y475 AromaticContact CE3-CE1 3.73Å; W297-Y475 HydrophobicContact CE3-CE1 3.73Å; W297-Y475 HydrophobicContact CE3-CE2 4.15Å; W297-Y475 AromaticContact CE3-CG 3.85Å; W297-Y475 HydrophobicContact CE3-CG 3.85Å; W297-Y475 AromaticContact CE3-CZ 3.99Å; W297-Y475 HydrophobicContact CZ3-CD1 4Å; W297-Y475 HydrophobicContact CZ3-CE1 4.42Å; W297-Y475 HydrophobicContact CZ3-CG 4.26Å; F471-Y475 HydrophobicContact CZ-CD2 4.06Å; F471-Y475 HydrophobicContact CZ-CG 4.44Å; F471-Y475 WeakPolarHBondContact O-CB 3.35Å; F471-Y475 PolarHBondContact O-N 3.44Å; N472-Y475 PolarHBondContact O-N 3.09Å; Y475-Y478 PolarHBondContact O-N 3.27Å; Y475-Y479 HydrophobicContact CD1-CD2 4.38Å; Y475-Y479 AromaticContact CD2-CD2 3.63Å; Y475-Y479 HydrophobicContact CD2-CD2 3.63Å; Y475-Y479 AromaticContact CD2-CE2 3.6Å; Y475-Y479 HydrophobicContact CD2-CE2 3.6Å; Y475-Y479 HydrophobicContact CE1-CD2 4.2Å; Y475-Y479 AromaticContact CE2-CD2 3.43Å; Y475-Y479 HydrophobicContact CE2-CD2 3.43Å; Y475-Y479 VanDerWaalsContact CE2-CD2 3.43Å; Y475-Y479 AromaticContact CE2-CE2 3.34Å; Y475-Y479 HydrophobicContact CE2-CE2 3.34Å; Y475-Y479 HydrophobicContact CG-CD2 4.1Å; Y475-Y479 HydrophobicContact CG-CE2 4.48Å; Y475-Y479 AromaticContact CZ-CD2 3.72Å; Y475-Y479 WeakPolarHBondContact O-CD2 3.5Å; Y475-Y479 PolarHBondContact O-N 3.06Å; Y475-Y479 VanDerWaalsContact O-N 3.07Å
476	W	92.1	Very high	91.1	Very high	62 Å²	62	79.4 Å²	79.4	24%	0.235	41%	0.411	C	S	.	.	H	α-helix	trans	-68.3	-37.4	-177.4	-71.2	109.1	0	0	0	111.8	F159 Y239 N472 L480	F159-W476 HydrophobicContact CE1-CZ3 4.22Å; F159-W476 HydrophobicContact CE2-CZ3 4.04Å; F159-W476 HydrophobicContact CZ-CE3 4.33Å; F159-W476 HydrophobicContact CZ-CH2 4.04Å; F159-W476 AromaticContact CZ-CZ3 3.43Å; F159-W476 HydrophobicContact CZ-CZ3 3.43Å; F159-W476 VanDerWaalsContact CZ-CZ3 3.43Å; Y239-W476 HydrophobicContact CD1-CH2 4.29Å; Y239-W476 HydrophobicContact CD1-CZ2 4.03Å; Y239-W476 HydrophobicContact CE1-CH2 4.38Å; Y239-W476 HydrophobicContact CE1-CZ2 4.31Å; N472-W476 WeakPolarHBondContact O-CB 3.33Å; N472-W476 PolarHBondContact O-N 3.25Å; N472-W476 PolarHBondContact OD1-NE1 3.12Å; W476-L480 HydrophobicContact CB-CD1 4.43Å; W476-L480 HydrophobicContact CE3-CD1 3.58Å; W476-L480 HydrophobicContact CE3-CG 4.01Å; W476-L480 HydrophobicContact CZ3-CD1 4.23Å; W476-L480 WeakPolarHBondContact O-CB 3.3Å; W476-L480 WeakPolarHBondContact O-CG 3.48Å; W476-L480 PolarHBondContact O-N 3.02Å
477	V	92.3	Very high	91.2	Very high	92 Å²	92	79.4 Å²	79.4	56%	0.558	41%	0.406	S	S	*	.	H	α-helix	trans	-66.4	-41.7	174.9	171	0	0	0	0	111.4	I473 S481	I473-V477 HydrophobicContact CG2-CG2 4.41Å; I473-V477 VanDerWaalsContact O-CB 3.28Å; I473-V477 WeakPolarHBondContact O-CB 3.37Å; I473-V477 WeakPolarHBondContact O-CG2 2.97Å; I473-V477 PolarHBondContact O-N 3.15Å; V477-S481 WeakPolarHBondContact O-CB 3.38Å; V477-S481 PolarHBondContact O-N 3.01Å; V477-S481 VanDerWaalsContact O-N 3.16Å
478	Y	92.2	Very high	91.2	Very high	169 Å²	169	78.9 Å²	78.9	66%	0.663	40%	0.403	S	S	*	.	H	α-helix	trans	-69.5	-37.1	-177.8	-178.1	-98.3	0	0	0	113.3	F474 Y475	F474-Y478 WeakPolarHBondContact O-CB 3.5Å; F474-Y478 PolarHBondContact O-N 3.08Å; Y475-Y478 PolarHBondContact O-N 3.27Å
479	Y	89.9	Confident	91.1	Very high	41 Å²	41	84.7 Å²	84.7	16%	0.161	43%	0.433	C	S	.	.	H	α-helix	trans	-97.1	-15.1	-175.5	-71.8	-65.9	0	0	0	115.1	A293 Y475	A293-Y479 HydrophobicContact CB-CD1 3.4Å; A293-Y479 VanDerWaalsContact CB-CD1 3.4Å; A293-Y479 HydrophobicContact CB-CD2 4.04Å; A293-Y479 HydrophobicContact CB-CE1 3.22Å; A293-Y479 HydrophobicContact CB-CE2 3.89Å; A293-Y479 HydrophobicContact CB-CG 3.82Å; A293-Y479 VanDerWaalsContact CB-CZ 3.48Å; Y475-Y479 HydrophobicContact CD1-CD2 4.38Å; Y475-Y479 AromaticContact CD2-CD2 3.63Å; Y475-Y479 HydrophobicContact CD2-CD2 3.63Å; Y475-Y479 AromaticContact CD2-CE2 3.6Å; Y475-Y479 HydrophobicContact CD2-CE2 3.6Å; Y475-Y479 HydrophobicContact CE1-CD2 4.2Å; Y475-Y479 AromaticContact CE2-CD2 3.43Å; Y475-Y479 HydrophobicContact CE2-CD2 3.43Å; Y475-Y479 VanDerWaalsContact CE2-CD2 3.43Å; Y475-Y479 AromaticContact CE2-CE2 3.34Å; Y475-Y479 HydrophobicContact CE2-CE2 3.34Å; Y475-Y479 HydrophobicContact CG-CD2 4.1Å; Y475-Y479 HydrophobicContact CG-CE2 4.48Å; Y475-Y479 AromaticContact CZ-CD2 3.72Å; Y475-Y479 WeakPolarHBondContact O-CD2 3.5Å; Y475-Y479 PolarHBondContact O-N 3.06Å; Y475-Y479 VanDerWaalsContact O-N 3.07Å
480	L	86	Confident	91	Very high	107 Å²	107	85.1 Å²	85.1	56%	0.56	43%	0.429	S	S	*	.	H	α-helix	trans	-100.7	-18.3	173.5	-64.9	176.2	0	0	0	113.8	F159 W476	F159-L480 HydrophobicContact CD1-CD2 3.64Å; F159-L480 HydrophobicContact CD2-CD2 4.33Å; F159-L480 HydrophobicContact CE1-CD2 3.81Å; F159-L480 HydrophobicContact CE2-CD2 4.47Å; F159-L480 HydrophobicContact CG-CD2 3.94Å; F159-L480 HydrophobicContact CZ-CD2 4.25Å; W476-L480 HydrophobicContact CB-CD1 4.43Å; W476-L480 HydrophobicContact CE3-CD1 3.58Å; W476-L480 HydrophobicContact CE3-CG 4.01Å; W476-L480 HydrophobicContact CZ3-CD1 4.23Å; W476-L480 WeakPolarHBondContact O-CB 3.3Å; W476-L480 WeakPolarHBondContact O-CG 3.48Å; W476-L480 PolarHBondContact O-N 3.02Å
481	S	78.4	Confident	90.8	Very high	151 Å²	151	84.7 Å²	84.7	100%	1.056	43%	0.425	S	S	*	.			trans	-79.5	0	171.5	-175.2	0	0	0	0	110.9	V477	V477-S481 WeakPolarHBondContact O-CB 3.38Å; V477-S481 PolarHBondContact O-N 3.01Å; V477-S481 VanDerWaalsContact O-N 3.16Å

Retrieved 481 of 481 residues in 296.3 ms (Link to these results)

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