A0A077YWX6_TRITR Loading...

F-actin-capping protein subunit alpha

F-actin-capping proteins bind in a Ca(2+)-independent manner to the fast growing ends of actin filaments (barbed end) thereby blocking the exchange of subunits at these ends. Unlike other capping proteins (such as gelsolin and severin), these proteins do not sever actin filaments.

AlphaFold DB , UniProt , Accession A0A077YWX6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 276 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	24.1	Very low	33.2	Very low	236 Å²	236	97.4 Å²	97.4	100%	1.163	56%	0.563	S	S	*	*				0	106.4	0	-71.2	-158.6	-92.4	0	0	108	S3	M1-S3 PolarHBondContact O-N 3.16Å
2	P	28.4	Very low	34.4	Very low	129 Å²	129	90.3 Å²	90.3	84%	0.838	52%	0.523	S	S	*	.			trans	-72	124.8	173.3	24.1	-18.2	0	0	0	108.1
3	S	25.6	Very low	35.8	Very low	77 Å²	77	94.5 Å²	94.5	54%	0.538	52%	0.524	S	S	.	.			trans	-50.2	134.9	-178.7	53.9	0	0	0	0	112.5	M1 A5 N6	M1-S3 PolarHBondContact O-N 3.16Å; S3-A5 PolarHBondContact O-N 2.63Å; S3-N6 PolarHBondContact O-N 2.8Å
4	E	29.5	Very low	37	Very low	166 Å²	166	94.4 Å²	94.4	78%	0.776	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-53.6	-14	174.4	-68.9	-180	139.5	0	0	113.7	N6 E7	E4-N6 VanDerWaalsContact C-N 3.29Å; E4-N6 PolarHBondContact O-N 3.44Å; E4-E7 PolarHBondContact O-N 2.58Å
5	A	25.9	Very low	38.1	Very low	86 Å²	86	88.1 Å²	88.1	71%	0.711	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-65.3	-18.5	178.2	0	0	0	0	0	115.6	S3	S3-A5 PolarHBondContact O-N 2.63Å
6	N	28	Very low	39.2	Very low	127 Å²	127	88 Å²	88	68%	0.679	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-91.9	5.9	178	-82.6	-10.3	0	0	0	114.1	S3 E4 A8	S3-N6 PolarHBondContact O-N 2.8Å; E4-N6 VanDerWaalsContact C-N 3.29Å; E4-N6 PolarHBondContact O-N 3.44Å; N6-A8 PolarHBondContact O-N 3.06Å
7	E	31.9	Very low	40.5	Very low	71 Å²	71	85.9 Å²	85.9	33%	0.332	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-13.6	-175.8	-78.8	-160.9	133.4	0	0	115.1	E4 T9 K46 K183	E4-E7 PolarHBondContact O-N 2.58Å; E7-T9 PolarHBondContact O-N 3.38Å; E7-K46 WeakPolarHBondContact OE1-CE 3.49Å; E7-K46 IonicContact OE1-NZ 3.42Å; E7-K46 PolarHBondContact OE1-NZ 2.82Å; E7-K183 IonicContact OE1-NZ 3.75Å; E7-K183 PolarHBondContact OE1-NZ 2.82Å; E7-K183 IonicContact OE2-NZ 3.45Å; E7-K183 PolarHBondContact OE2-NZ 3.34Å
8	A	33	Very low	41.8	Very low	45 Å²	45	85 Å²	85	37%	0.372	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-15.6	-172.5	0	0	0	0	0	115	N6 Q195	N6-A8 PolarHBondContact O-N 3.06Å; A8-Q195 VanDerWaalsContact CB-OE1 3.26Å; A8-Q195 PolarHBondContact O-NE2 3.18Å; A8-Q195 PolarHBondContact O-OE1 3.24Å
9	T	40.3	Very low	43.1	Very low	82 Å²	82	81.6 Å²	81.6	50%	0.503	45%	0.452	S	S	.	.	S	Bend	trans	-94.2	-12.4	-159.3	-24.5	0	0	0	0	115	E7	E7-T9 PolarHBondContact O-N 3.38Å
10	L	48.4	Very low	44.4	Very low	45 Å²	45	80.6 Å²	80.6	24%	0.236	45%	0.454	C	S	.	.			trans	-127.4	84	-173	-66.9	169.7	0	0	0	112.2	F18 H43	L10-F18 HydrophobicContact CD1-CE1 4.3Å; L10-F18 HydrophobicContact CD2-CB 3.66Å; L10-F18 HydrophobicContact CD2-CD1 3.69Å; L10-F18 HydrophobicContact CD2-CD2 3.6Å; L10-F18 HydrophobicContact CD2-CE1 4.14Å; L10-F18 HydrophobicContact CD2-CE2 4.06Å; L10-F18 HydrophobicContact CD2-CG 3.38Å; L10-F18 HydrophobicContact CD2-CZ 4.3Å; L10-H43 WeakPolarHBondContact CB-NE2 3.32Å; L10-H43 PolarHBondContact O-NE2 3.48Å
11	T	50.1	Low	45.8	Very low	7 Å²	7	81 Å²	81	4%	0.043	46%	0.456	C	S	.	.			trans	-62	144.3	158.2	56.7	0	0	0	0	108.4	R13 R14 C15 N159 H187	T11-R13 PolarHBondContact O-N 2.96Å; T11-R14 PolarHBondContact O-N 3.46Å; T11-C15 PolarHBondContact O-N 2.76Å; T11-N159 HydrophobicContact CG2-CB 4.36Å; T11-H187 HydrophobicContact CG2-CB 3.69Å
12	P	47.6	Very low	48	Very low	13 Å²	13	71.1 Å²	71.1	8%	0.084	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.3	-168.7	-21	28.9	0	0	0	115.2	C15 H47 Y152	P12-C15 WeakPolarHBondContact O-CB 3.27Å; P12-H47 HydrophobicContact CG-CB 4.28Å; P12-Y152 VanDerWaalsContact CB-OH 3.26Å; P12-Y152 WeakPolarHBondContact CB-OH 3.26Å; P12-Y152 VanDerWaalsContact CG-OH 3.31Å; P12-Y152 WeakPolarHBondContact CG-OH 3.38Å
13	R	52.5	Low	50.1	Low	144 Å²	144	70.6 Å²	70.6	54%	0.543	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-24	170.2	-110.7	-167.9	-174.9	-164.9	-2.1	115.5	T11 C15 S16 Y152	T11-R13 PolarHBondContact O-N 2.96Å; R13-C15 PolarHBondContact O-N 3.03Å; R13-S16 PolarHBondContact O-N 2.92Å; R13-S16 PolarHBondContact O-OG 3.39Å; R13-S16 VanDerWaalsContact O-OG 3.08Å; R13-Y152 HydrophobicContact CB-CD1 4.13Å; R13-Y152 HydrophobicContact CB-CD2 4.19Å; R13-Y152 HydrophobicContact CB-CE1 4.34Å; R13-Y152 HydrophobicContact CB-CE2 4.35Å; R13-Y152 HydrophobicContact CB-CG 4.07Å; R13-Y152 HydrophobicContact CG-CD2 3.78Å; R13-Y152 HydrophobicContact CG-CE2 4.06Å; R13-Y152 HydrophobicContact CG-CG 4.07Å
14	R	52.1	Low	52.4	Low	93 Å²	93	70.7 Å²	70.7	35%	0.351	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13	169.9	-88.1	-167.6	-178.2	-156.5	3.5	112.1	T11 S16 S17 F18 H187	T11-R14 PolarHBondContact O-N 3.46Å; R14-S16 PolarHBondContact O-N 2.97Å; R14-S17 PolarHBondContact O-N 3.36Å; R14-S17 PolarHBondContact O-OG 2.83Å; R14-F18 VanDerWaalsContact O-CB 3.23Å; R14-F18 WeakPolarHBondContact O-CB 3.46Å; R14-F18 PolarHBondContact O-N 3.13Å; R14-H187 VanDerWaalsContact CZ-CE1 3.42Å; R14-H187 PolarHBondContact NH2-CE1 3.03Å
15	C	53.7	Low	54.5	Low	0 Å²	0	69.3 Å²	69.3	0%	0	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.5	171.1	-76.5	0	0	0	0	113.5	T11 P12 R13 P19 F40 H43 F89	T11-C15 PolarHBondContact O-N 2.76Å; P12-C15 WeakPolarHBondContact O-CB 3.27Å; R13-C15 PolarHBondContact O-N 3.03Å; C15-P19 WeakPolarHBondContact O-CD 3.26Å; C15-P19 WeakPolarHBondContact O-CG 3.18Å; C15-F40 HydrophobicContact CB-CD1 4.41Å; C15-F40 HydrophobicContact CB-CE1 3.94Å; C15-F40 VanDerWaalsContact O-CE1 3.29Å; C15-F40 WeakPolarHBondContact O-CE1 3.41Å; C15-H43 PolarHBondContact SG-CE1 3.25Å; C15-F89 HydrophobicContact CB-CE1 4.46Å; C15-F89 HydrophobicContact CB-CZ 4Å
16	S	56	Low	56.6	Low	87 Å²	87	70.1 Å²	70.1	61%	0.608	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-32.5	173.7	63.1	0	0	0	0	113.6	R13 R14	R13-S16 PolarHBondContact O-N 2.92Å; R13-S16 PolarHBondContact O-OG 3.39Å; R13-S16 VanDerWaalsContact O-OG 3.08Å; R14-S16 PolarHBondContact O-N 2.97Å
17	S	61	Low	58.6	Low	53 Å²	53	73 Å²	73	37%	0.371	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-32.6	178	66.8	0	0	0	0	113	R14 P19 A20 D21	R14-S17 PolarHBondContact O-N 3.36Å; R14-S17 PolarHBondContact O-OG 2.83Å; S17-P19 VanDerWaalsContact C-CD 3.47Å; S17-A20 WeakPolarHBondContact O-CB 3.31Å; S17-A20 PolarHBondContact O-N 2.83Å; S17-D21 PolarHBondContact O-N 2.85Å
18	F	65.1	Low	60.6	Low	69 Å²	69	73.6 Å²	73.6	30%	0.303	39%	0.391	S	S	.	.	H	α-helix	trans	-53.7	-42.6	-179.8	-176.3	-105.9	0	0	0	115.4	L10 R14 A20 D21 V22	L10-F18 HydrophobicContact CD1-CE1 4.3Å; L10-F18 HydrophobicContact CD2-CB 3.66Å; L10-F18 HydrophobicContact CD2-CD1 3.69Å; L10-F18 HydrophobicContact CD2-CD2 3.6Å; L10-F18 HydrophobicContact CD2-CE1 4.14Å; L10-F18 HydrophobicContact CD2-CE2 4.06Å; L10-F18 HydrophobicContact CD2-CG 3.38Å; L10-F18 HydrophobicContact CD2-CZ 4.3Å; R14-F18 VanDerWaalsContact O-CB 3.23Å; R14-F18 WeakPolarHBondContact O-CB 3.46Å; R14-F18 PolarHBondContact O-N 3.13Å; F18-A20 PolarHBondContact O-N 3.27Å; F18-D21 PolarHBondContact O-N 2.87Å; F18-V22 HydrophobicContact CD1-CG2 3.88Å; F18-V22 HydrophobicContact CD2-CG2 3.99Å; F18-V22 HydrophobicContact CE1-CG2 3.51Å; F18-V22 HydrophobicContact CE2-CG2 3.63Å; F18-V22 HydrophobicContact CG-CG2 4.12Å; F18-V22 HydrophobicContact CZ-CG2 3.38Å; F18-V22 WeakPolarHBondContact O-CG2 3.48Å; F18-V22 PolarHBondContact O-N 3.03Å
19	P	64.9	Low	62.7	Low	21 Å²	21	75.8 Å²	75.8	14%	0.136	40%	0.397	C	S	.	.	H	α-helix	trans	-65.6	-29.6	178.8	18.4	-24.7	0	0	0	112	C15 S17 R23 F40	C15-P19 WeakPolarHBondContact O-CD 3.26Å; C15-P19 WeakPolarHBondContact O-CG 3.18Å; S17-P19 VanDerWaalsContact C-CD 3.47Å; P19-R23 WeakPolarHBondContact O-CB 3.4Å; P19-R23 WeakPolarHBondContact O-CD 3.29Å; P19-R23 WeakPolarHBondContact O-CG 3.42Å; P19-R23 PolarHBondContact O-N 2.88Å; P19-F40 HydrophobicContact CB-CE2 4.05Å; P19-F40 HydrophobicContact CB-CZ 3.74Å; P19-F40 HydrophobicContact CG-CE1 4.38Å; P19-F40 HydrophobicContact CG-CE2 4.28Å; P19-F40 HydrophobicContact CG-CZ 3.55Å
20	A	69.8	Low	64.3	Low	60 Å²	60	79.7 Å²	79.7	50%	0.496	41%	0.409	S	S	.	.	H	α-helix	trans	-67.8	-44.5	173.8	0	0	0	0	0	111.1	S17 F18 R23 S24	S17-A20 WeakPolarHBondContact O-CB 3.31Å; S17-A20 PolarHBondContact O-N 2.83Å; F18-A20 PolarHBondContact O-N 3.27Å; A20-R23 PolarHBondContact O-N 2.9Å; A20-S24 PolarHBondContact O-N 3.35Å
21	D	73.5	Confident	65.5	Low	91 Å²	91	80.5 Å²	80.5	49%	0.487	42%	0.419	S	S	.	.	H	α-helix	trans	-63.2	-47.3	177.8	-62.7	-25.8	0	0	0	111.1	S17 F18 S24 L25	S17-D21 PolarHBondContact O-N 2.85Å; F18-D21 PolarHBondContact O-N 2.87Å; D21-S24 PolarHBondContact O-N 3.32Å; D21-S24 PolarHBondContact O-OG 3.01Å; D21-L25 WeakPolarHBondContact O-CG 3.49Å; D21-L25 PolarHBondContact O-N 3.35Å
22	V	70.8	Confident	66.7	Low	27 Å²	27	80.9 Å²	80.9	16%	0.164	42%	0.42	C	S	.	.	H	α-helix	trans	-67	-38.5	179.3	177	0	0	0	0	111.9	F18 S24 L25 L26 L32	F18-V22 HydrophobicContact CD1-CG2 3.88Å; F18-V22 HydrophobicContact CD2-CG2 3.99Å; F18-V22 HydrophobicContact CE1-CG2 3.51Å; F18-V22 HydrophobicContact CE2-CG2 3.63Å; F18-V22 HydrophobicContact CG-CG2 4.12Å; F18-V22 HydrophobicContact CZ-CG2 3.38Å; F18-V22 WeakPolarHBondContact O-CG2 3.48Å; F18-V22 PolarHBondContact O-N 3.03Å; V22-S24 VanDerWaalsContact C-N 3.29Å; V22-S24 PolarHBondContact O-N 3.05Å; V22-L25 PolarHBondContact O-N 2.92Å; V22-L26 HydrophobicContact CG1-CD1 3.53Å; V22-L26 HydrophobicContact CG1-CG 4.42Å; V22-L26 PolarHBondContact O-N 3.44Å; V22-L32 HydrophobicContact CG1-CD1 3.48Å; V22-L32 VanDerWaalsContact CG1-CD1 3.48Å; V22-L32 HydrophobicContact CG1-CD2 4.12Å; V22-L32 HydrophobicContact CG1-CG 4.47Å
23	R	71.3	Confident	68.1	Low	118 Å²	118	86.4 Å²	86.4	45%	0.445	44%	0.443	S	S	.	.	H	α-helix	trans	-58	-42.9	172.3	-81.2	173.2	-171.3	175.1	5.1	111.5	P19 A20 L25 K27 L32	P19-R23 WeakPolarHBondContact O-CB 3.4Å; P19-R23 WeakPolarHBondContact O-CD 3.29Å; P19-R23 WeakPolarHBondContact O-CG 3.42Å; P19-R23 PolarHBondContact O-N 2.88Å; A20-R23 PolarHBondContact O-N 2.9Å; R23-L25 VanDerWaalsContact C-N 3.26Å; R23-L25 PolarHBondContact O-N 2.74Å; R23-K27 PolarHBondContact O-N 3.18Å; R23-L32 VanDerWaalsContact CA-CD2 3.41Å; R23-L32 HydrophobicContact CB-CD2 3.99Å; R23-L32 HydrophobicContact CG-CD2 3.39Å; R23-L32 HydrophobicContact CG-CG 4.49Å
24	S	74.5	Confident	69.2	Low	80 Å²	80	87 Å²	87	56%	0.559	45%	0.45	S	S	*	.	H	α-helix	trans	-63.6	-31.9	179	80.7	0	0	0	0	113.1	A20 D21 V22	A20-S24 PolarHBondContact O-N 3.35Å; D21-S24 PolarHBondContact O-N 3.32Å; D21-S24 PolarHBondContact O-OG 3.01Å; V22-S24 VanDerWaalsContact C-N 3.29Å; V22-S24 PolarHBondContact O-N 3.05Å
25	L	73.9	Confident	70.6	Confident	137 Å²	137	87.4 Å²	87.4	72%	0.717	46%	0.462	S	S	*	.	H	α-helix	trans	-82.3	-44.4	-177.9	-70.3	171.5	0	0	0	113.2	D21 V22 R23	D21-L25 WeakPolarHBondContact O-CG 3.49Å; D21-L25 PolarHBondContact O-N 3.35Å; V22-L25 PolarHBondContact O-N 2.92Å; R23-L25 VanDerWaalsContact C-N 3.26Å; R23-L25 PolarHBondContact O-N 2.74Å
26	L	70.3	Confident	71.9	Confident	102 Å²	102	88 Å²	88	53%	0.534	47%	0.467	S	S	.	.	H	α-helix	trans	-85.4	-18.1	-167.9	-77.3	166.2	0	0	0	114.5	V22 N28 L32	V22-L26 HydrophobicContact CG1-CD1 3.53Å; V22-L26 HydrophobicContact CG1-CG 4.42Å; V22-L26 PolarHBondContact O-N 3.44Å; L26-N28 PolarHBondContact O-N 3.27Å; L26-L32 HydrophobicContact CD1-CD1 3.8Å
27	K	70.6	Confident	73.2	Confident	188 Å²	188	85.6 Å²	85.6	82%	0.817	45%	0.452	S	S	*	.			trans	50.2	9.5	176.2	-61.2	-176.3	179.4	179.9	0	116.3	R23	R23-K27 PolarHBondContact O-N 3.18Å
28	N	73.6	Confident	74.4	Confident	84 Å²	84	88 Å²	88	45%	0.449	46%	0.461	S	S	.	.			trans	-130	93.6	177.9	-176	-15	0	0	0	109.6	L26 E30 S31 L32	L26-N28 PolarHBondContact O-N 3.27Å; N28-E30 VanDerWaalsContact C-N 3.34Å; N28-E30 PolarHBondContact O-N 3.33Å; N28-E30 PolarHBondContact OD1-N 3.47Å; N28-S31 PolarHBondContact O-OG 3.29Å; N28-L32 WeakPolarHBondContact O-CB 3.3Å; N28-L32 PolarHBondContact O-N 3.36Å
29	D	75.9	Confident	75.5	Confident	91 Å²	91	87.1 Å²	87.1	49%	0.487	47%	0.467	S	S	.	.	H	α-helix	trans	-65.7	-31.2	-171	-75.5	-18.2	0	0	0	113.8	L32 K33	D29-L32 PolarHBondContact O-N 2.93Å; D29-K33 VanDerWaalsContact O-CG 3.25Å; D29-K33 WeakPolarHBondContact O-CG 3.28Å; D29-K33 PolarHBondContact O-N 3.31Å
30	E	74.7	Confident	76.6	Confident	164 Å²	164	86.6 Å²	86.6	77%	0.766	46%	0.462	S	S	*	.	H	α-helix	trans	-72.1	-50.5	-174.9	-69.2	-163.3	158.1	0	0	112.2	N28 L32 K33	N28-E30 VanDerWaalsContact C-N 3.34Å; N28-E30 PolarHBondContact O-N 3.33Å; N28-E30 PolarHBondContact OD1-N 3.47Å; E30-L32 PolarHBondContact O-N 2.77Å; E30-K33 PolarHBondContact O-N 3.49Å
31	S	74.1	Confident	77.7	Confident	62 Å²	62	84.4 Å²	84.4	43%	0.434	44%	0.444	S	S	.	.	H	α-helix	trans	-60.8	-36.2	175	63.8	0	0	0	0	111.6	N28 V35	N28-S31 PolarHBondContact O-OG 3.29Å; S31-V35 WeakPolarHBondContact O-CG2 3.31Å; S31-V35 PolarHBondContact O-N 3.32Å
32	L	74.8	Confident	78.5	Confident	14 Å²	14	87 Å²	87	7%	0.073	45%	0.449	C	S	.	.	H	α-helix	trans	-69.7	-40.3	-179.3	179.6	55.1	0	0	0	111.5	V22 R23 L26 N28 D29 E30 K34 V35 A36	V22-L32 HydrophobicContact CG1-CD1 3.48Å; V22-L32 VanDerWaalsContact CG1-CD1 3.48Å; V22-L32 HydrophobicContact CG1-CD2 4.12Å; V22-L32 HydrophobicContact CG1-CG 4.47Å; R23-L32 VanDerWaalsContact CA-CD2 3.41Å; R23-L32 HydrophobicContact CB-CD2 3.99Å; R23-L32 HydrophobicContact CG-CD2 3.39Å; R23-L32 HydrophobicContact CG-CG 4.49Å; L26-L32 HydrophobicContact CD1-CD1 3.8Å; N28-L32 WeakPolarHBondContact O-CB 3.3Å; N28-L32 PolarHBondContact O-N 3.36Å; D29-L32 PolarHBondContact O-N 2.93Å; E30-L32 PolarHBondContact O-N 2.77Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 2.76Å; L32-V35 PolarHBondContact O-N 3.48Å; L32-A36 HydrophobicContact CD1-CB 4.21Å; L32-A36 WeakPolarHBondContact O-CA 3.19Å; L32-A36 WeakPolarHBondContact O-CB 3.39Å; L32-A36 PolarHBondContact O-N 3.37Å
33	K	76.8	Confident	79.5	Confident	130 Å²	130	86.4 Å²	86.4	57%	0.565	44%	0.444	S	S	*	.	H	α-helix	trans	-56.9	-46.1	179.3	-80.8	172.1	-174.8	179	0	112.3	D29 E30 A37	D29-K33 VanDerWaalsContact O-CG 3.25Å; D29-K33 WeakPolarHBondContact O-CG 3.28Å; D29-K33 PolarHBondContact O-N 3.31Å; E30-K33 PolarHBondContact O-N 3.49Å; K33-A37 VanDerWaalsContact O-CB 3.32Å; K33-A37 WeakPolarHBondContact O-CB 3.46Å; K33-A37 PolarHBondContact O-N 2.96Å
34	K	76	Confident	80.5	Confident	157 Å²	157	80.8 Å²	80.8	68%	0.683	42%	0.423	S	S	*	.	H	α-helix	trans	-68.3	-50.4	-179.1	-171.2	176.3	179.8	179.1	0	111.9	L32 A36 A37 D38	L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 2.76Å; K34-A36 VanDerWaalsContact C-N 3.31Å; K34-A36 PolarHBondContact O-N 3.17Å; K34-A37 PolarHBondContact O-N 2.88Å; K34-D38 PolarHBondContact O-N 2.62Å
35	V	80.4	Confident	81.4	Confident	100 Å²	100	78.6 Å²	78.6	61%	0.606	40%	0.403	S	S	*	.	H	α-helix	trans	-64.8	-38.4	-180	175.6	0	0	0	0	111.3	S31 L32 A39	S31-V35 WeakPolarHBondContact O-CG2 3.31Å; S31-V35 PolarHBondContact O-N 3.32Å; L32-V35 PolarHBondContact O-N 3.48Å; V35-A39 VanDerWaalsContact O-CB 3.29Å; V35-A39 WeakPolarHBondContact O-CB 3.34Å; V35-A39 PolarHBondContact O-N 2.81Å
36	A	81.5	Confident	82.3	Confident	13 Å²	13	74.4 Å²	74.4	11%	0.107	38%	0.379	C	S	.	.	H	α-helix	trans	-62.3	-49.9	174.8	0	0	0	0	0	110.5	L32 K34 D38 A39 F40 M87	L32-A36 HydrophobicContact CD1-CB 4.21Å; L32-A36 WeakPolarHBondContact O-CA 3.19Å; L32-A36 WeakPolarHBondContact O-CB 3.39Å; L32-A36 PolarHBondContact O-N 3.37Å; K34-A36 VanDerWaalsContact C-N 3.31Å; K34-A36 PolarHBondContact O-N 3.17Å; A36-D38 VanDerWaalsContact C-N 3.32Å; A36-D38 PolarHBondContact O-N 3.37Å; A36-A39 CarbonylContact O-C 3.56Å; A36-A39 WeakPolarHBondContact O-CB 3.25Å; A36-A39 PolarHBondContact O-N 3.25Å; A36-F40 HydrophobicContact CB-CD2 4.11Å; A36-F40 HydrophobicContact CB-CE2 3.97Å; A36-F40 WeakPolarHBondContact O-CD2 3.39Å; A36-F40 PolarHBondContact O-N 3.41Å; A36-M87 HydrophobicContact CB-CE 4.39Å; A36-M87 HydrophobicContact CB-SD 4.14Å
37	A	83.1	Confident	83.4	Confident	36 Å²	36	70.1 Å²	70.1	30%	0.298	36%	0.356	S	S	.	.	H	α-helix	trans	-55.1	-46.7	-179.6	0	0	0	0	0	112	K33 K34 A39 F40 A41	K33-A37 VanDerWaalsContact O-CB 3.32Å; K33-A37 WeakPolarHBondContact O-CB 3.46Å; K33-A37 PolarHBondContact O-N 2.96Å; K34-A37 PolarHBondContact O-N 2.88Å; A37-A39 PolarHBondContact O-N 3.28Å; A37-F40 PolarHBondContact O-N 3.43Å; A37-A41 WeakPolarHBondContact O-CB 3.26Å; A37-A41 PolarHBondContact O-N 2.65Å
38	D	87	Confident	84.5	Confident	104 Å²	104	61.6 Å²	61.6	56%	0.556	32%	0.319	S	S	*	.	H	α-helix	trans	-64.2	-40.3	176.7	-68.5	-20.6	0	0	0	111.9	K34 A36 A41 Y42	K34-D38 PolarHBondContact O-N 2.62Å; A36-D38 VanDerWaalsContact C-N 3.32Å; A36-D38 PolarHBondContact O-N 3.37Å; D38-A41 PolarHBondContact O-N 2.93Å; D38-Y42 WeakPolarHBondContact O-CB 3.42Å; D38-Y42 PolarHBondContact O-N 3.08Å
39	A	88.1	Confident	85.4	Confident	51 Å²	51	59.6 Å²	59.6	42%	0.421	31%	0.306	S	S	.	.	H	α-helix	trans	-66.6	-41.5	177.6	0	0	0	0	0	112.5	V35 A36 A37 Y42 H43	V35-A39 VanDerWaalsContact O-CB 3.29Å; V35-A39 WeakPolarHBondContact O-CB 3.34Å; V35-A39 PolarHBondContact O-N 2.81Å; A36-A39 CarbonylContact O-C 3.56Å; A36-A39 WeakPolarHBondContact O-CB 3.25Å; A36-A39 PolarHBondContact O-N 3.25Å; A37-A39 PolarHBondContact O-N 3.28Å; A39-Y42 PolarHBondContact O-N 3.49Å; A39-H43 VanDerWaalsContact O-CB 3.25Å; A39-H43 WeakPolarHBondContact O-CB 3.32Å; A39-H43 PolarHBondContact O-N 3.36Å
40	F	88.7	Confident	86.2	Confident	9 Å²	9	57.2 Å²	57.2	4%	0.039	30%	0.296	C	S	.	.	H	α-helix	trans	-66.9	-41.1	174.4	-77.9	-70.4	0	0	0	111.3	C15 P19 A36 A37 H43 N44 H86 M87 F89	C15-F40 HydrophobicContact CB-CD1 4.41Å; C15-F40 HydrophobicContact CB-CE1 3.94Å; C15-F40 VanDerWaalsContact O-CE1 3.29Å; C15-F40 WeakPolarHBondContact O-CE1 3.41Å; P19-F40 HydrophobicContact CB-CE2 4.05Å; P19-F40 HydrophobicContact CB-CZ 3.74Å; P19-F40 HydrophobicContact CG-CE1 4.38Å; P19-F40 HydrophobicContact CG-CE2 4.28Å; P19-F40 HydrophobicContact CG-CZ 3.55Å; A36-F40 HydrophobicContact CB-CD2 4.11Å; A36-F40 HydrophobicContact CB-CE2 3.97Å; A36-F40 WeakPolarHBondContact O-CD2 3.39Å; A36-F40 PolarHBondContact O-N 3.41Å; A37-F40 PolarHBondContact O-N 3.43Å; F40-H43 PolarHBondContact O-N 3.35Å; F40-N44 WeakPolarHBondContact O-CB 3.47Å; F40-N44 PolarHBondContact O-N 2.8Å; F40-N44 PolarHBondContact O-ND2 3.03Å; F40-H86 HydrophobicContact CB-CB 3.93Å; F40-H86 WeakPolarHBondContact CB-O 2.92Å; F40-M87 HydrophobicContact CD2-CE 4.15Å; F40-M87 HydrophobicContact CD2-SD 3.21Å; F40-M87 WeakPolarHBondContact CD2-SD 3.39Å; F40-M87 HydrophobicContact CE2-CE 3.93Å; F40-M87 HydrophobicContact CE2-SD 3.63Å; F40-M87 HydrophobicContact CG-SD 4.14Å; F40-F89 HydrophobicContact CD1-CE1 4.49Å; F40-F89 AromaticContact CD1-CZ 3.98Å; F40-F89 HydrophobicContact CD1-CZ 3.98Å; F40-F89 HydrophobicContact CE1-CZ 4.07Å
41	A	91.3	Very high	87	Confident	15 Å²	15	49.7 Å²	49.7	12%	0.124	26%	0.261	C	S	.	.	H	α-helix	trans	-59.4	-48.9	174.8	0	0	0	0	0	111.2	A37 D38 K45 H86	A37-A41 WeakPolarHBondContact O-CB 3.26Å; A37-A41 PolarHBondContact O-N 2.65Å; D38-A41 PolarHBondContact O-N 2.93Å; A41-K45 WeakPolarHBondContact O-CB 3.28Å; A41-K45 WeakPolarHBondContact O-CD 3.21Å; A41-K45 WeakPolarHBondContact O-CG 3.45Å; A41-K45 PolarHBondContact O-N 2.78Å; A41-H86 HydrophobicContact CB-CB 4.44Å; A41-H86 WeakPolarHBondContact CB-CD2 3.33Å
42	Y	92.1	Very high	87.7	Confident	146 Å²	146	50.8 Å²	50.8	57%	0.573	27%	0.274	S	S	*	.	H	α-helix	trans	-60.4	-47	175.8	176.9	-98.3	0	0	0	111.9	D38 A39 K46	D38-Y42 WeakPolarHBondContact O-CB 3.42Å; D38-Y42 PolarHBondContact O-N 3.08Å; A39-Y42 PolarHBondContact O-N 3.49Å; Y42-K46 HydrophobicContact CD1-CD 4.42Å; Y42-K46 HydrophobicContact CE1-CD 3.59Å; Y42-K46 WeakPolarHBondContact O-CB 3.47Å; Y42-K46 PolarHBondContact O-N 3.34Å; Y42-K46 PolarHBondContact OH-NZ 2.81Å
43	H	90.4	Very high	88.2	Confident	13 Å²	13	51.1 Å²	51.1	6%	0.06	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-52.6	-179.5	-177.6	-71.1	0	0	0	111.4	L10 C15 A39 F40 K45 K46 H47	L10-H43 WeakPolarHBondContact CB-NE2 3.32Å; L10-H43 PolarHBondContact O-NE2 3.48Å; C15-H43 PolarHBondContact SG-CE1 3.25Å; A39-H43 VanDerWaalsContact O-CB 3.25Å; A39-H43 WeakPolarHBondContact O-CB 3.32Å; A39-H43 PolarHBondContact O-N 3.36Å; F40-H43 PolarHBondContact O-N 3.35Å; H43-K45 PolarHBondContact O-N 3.26Å; H43-K46 PolarHBondContact O-N 3.06Å; H43-H47 AromaticContact CD2-CD2 3.65Å; H43-H47 AromaticContact CD2-NE2 3.99Å; H43-H47 AromaticContact CE1-CD2 3.38Å; H43-H47 PolarHBondContact CE1-CD2 3.46Å; H43-H47 AromaticContact CE1-CG 3.88Å; H43-H47 AromaticContact CG-CD2 3.88Å; H43-H47 AromaticContact ND1-CD2 3.72Å; H43-H47 AromaticContact NE2-CD2 3.34Å; H43-H47 PolarHBondContact NE2-CD2 2.8Å; H43-H47 VanDerWaalsContact NE2-CD2 3.34Å; H43-H47 AromaticContact NE2-NE2 3.66Å; H43-H47 WeakPolarHBondContact O-CB 3.21Å; H43-H47 PolarHBondContact O-CD2 2.83Å; H43-H47 VanDerWaalsContact O-CD2 3.29Å; H43-H47 PolarHBondContact O-N 3.46Å
44	N	92.4	Very high	88.4	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-59	-47.1	-178.3	-73.2	-32.9	0	0	0	111.4	F40 H47 F48 F49 V62 F84 H86 F89	F40-N44 WeakPolarHBondContact O-CB 3.47Å; F40-N44 PolarHBondContact O-N 2.8Å; F40-N44 PolarHBondContact O-ND2 3.03Å; N44-H47 PolarHBondContact O-N 3.24Å; N44-F48 PolarHBondContact O-N 3.43Å; N44-F48 VanDerWaalsContact O-N 3.08Å; N44-F49 HydrophobicContact CB-CB 3.94Å; N44-F49 PolarHBondContact O-N 3.28Å; N44-V62 HydrophobicContact CB-CG1 4.25Å; N44-F84 HydrophobicContact CB-CE1 4.42Å; N44-H86 PolarHBondContact ND2-ND1 3.48Å; N44-H86 PolarHBondContact ND2-O 3.36Å; N44-F89 WeakPolarHBondContact OD1-CE1 3.47Å
45	K	94.5	Very high	88.6	Confident	34 Å²	34	51 Å²	51	15%	0.148	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-44.7	175.7	-69.2	171.5	-171.5	180	0	111.9	A41 H43 H47 F48 V62 P64 E67 F73	A41-K45 WeakPolarHBondContact O-CB 3.28Å; A41-K45 WeakPolarHBondContact O-CD 3.21Å; A41-K45 WeakPolarHBondContact O-CG 3.45Å; A41-K45 PolarHBondContact O-N 2.78Å; H43-K45 PolarHBondContact O-N 3.26Å; K45-H47 VanDerWaalsContact C-N 3.3Å; K45-H47 PolarHBondContact O-N 3.12Å; K45-F48 VanDerWaalsContact O-CD1 3.28Å; K45-F48 WeakPolarHBondContact O-CD1 3.31Å; K45-F48 PolarHBondContact O-N 2.72Å; K45-V62 WeakPolarHBondContact CA-O 3.49Å; K45-V62 HydrophobicContact CG-CG1 3.86Å; K45-P64 HydrophobicContact CB-CG 4.18Å; K45-P64 WeakPolarHBondContact O-CD 3.25Å; K45-E67 WeakPolarHBondContact CE-OE1 3.47Å; K45-E67 VanDerWaalsContact CE-OE2 3.28Å; K45-E67 WeakPolarHBondContact CE-OE2 3.1Å; K45-E67 IonicContact NZ-OE1 3.07Å; K45-E67 PolarHBondContact NZ-OE1 3.49Å; K45-E67 IonicContact NZ-OE2 2.86Å; K45-E67 PolarHBondContact NZ-OE2 3.22Å; K45-F73 HydrophobicContact CG-CE1 4.23Å; K45-F73 HydrophobicContact CG-CZ 4.36Å
46	K	92.9	Very high	88.8	Confident	48 Å²	48	48.3 Å²	48.3	21%	0.209	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-37	-179.7	178.4	174.6	-177.3	171.4	0	111.8	E7 Y42 H43 K163	E7-K46 WeakPolarHBondContact OE1-CE 3.49Å; E7-K46 IonicContact OE1-NZ 3.42Å; E7-K46 PolarHBondContact OE1-NZ 2.82Å; Y42-K46 HydrophobicContact CD1-CD 4.42Å; Y42-K46 HydrophobicContact CE1-CD 3.59Å; Y42-K46 WeakPolarHBondContact O-CB 3.47Å; Y42-K46 PolarHBondContact O-N 3.34Å; Y42-K46 PolarHBondContact OH-NZ 2.81Å; H43-K46 PolarHBondContact O-N 3.06Å; K46-K163 WeakPolarHBondContact O-CD 3.25Å; K46-K163 PolarHBondContact O-NZ 3.21Å
47	H	91.7	Very high	88.9	Confident	13 Å²	13	56.5 Å²	56.5	6%	0.06	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	6.7	-176.4	-72.5	-78.5	0	0	0	114.2	P12 H43 N44 K45 H161	P12-H47 HydrophobicContact CG-CB 4.28Å; H43-H47 AromaticContact CD2-CD2 3.65Å; H43-H47 AromaticContact CD2-NE2 3.99Å; H43-H47 AromaticContact CE1-CD2 3.38Å; H43-H47 PolarHBondContact CE1-CD2 3.46Å; H43-H47 AromaticContact CE1-CG 3.88Å; H43-H47 AromaticContact CG-CD2 3.88Å; H43-H47 AromaticContact ND1-CD2 3.72Å; H43-H47 AromaticContact NE2-CD2 3.34Å; H43-H47 PolarHBondContact NE2-CD2 2.8Å; H43-H47 VanDerWaalsContact NE2-CD2 3.34Å; H43-H47 AromaticContact NE2-NE2 3.66Å; H43-H47 WeakPolarHBondContact O-CB 3.21Å; H43-H47 PolarHBondContact O-CD2 2.83Å; H43-H47 VanDerWaalsContact O-CD2 3.29Å; H43-H47 PolarHBondContact O-N 3.46Å; N44-H47 PolarHBondContact O-N 3.24Å; K45-H47 VanDerWaalsContact C-N 3.3Å; K45-H47 PolarHBondContact O-N 3.12Å; H47-H161 AromaticContact CG-NE2 3.95Å; H47-H161 AromaticContact ND1-CD2 3.63Å; H47-H161 AromaticContact ND1-CE1 3.8Å; H47-H161 AromaticContact ND1-NE2 3.03Å; H47-H161 PolarHBondContact ND1-NE2 2.95Å; H47-H161 PolarHBondContact O-CE1 3.35Å
48	F	94.4	Very high	89.2	Confident	9 Å²	9	57.8 Å²	57.8	4%	0.039	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	56.3	179.4	-56.1	-22.5	0	0	0	110.7	N44 K45 P50 H61 V62 T63 Y65 C146 V148 K163 R165	N44-F48 PolarHBondContact O-N 3.43Å; N44-F48 VanDerWaalsContact O-N 3.08Å; K45-F48 VanDerWaalsContact O-CD1 3.28Å; K45-F48 WeakPolarHBondContact O-CD1 3.31Å; K45-F48 PolarHBondContact O-N 2.72Å; F48-P50 WeakPolarHBondContact O-CD 3.47Å; F48-H61 HydrophobicContact CB-CB 4.42Å; F48-V62 WeakPolarHBondContact CA-O 3.29Å; F48-T63 HydrophobicContact CB-CG2 4.2Å; F48-T63 HydrophobicContact CD1-CG2 3.56Å; F48-T63 HydrophobicContact CE1-CG2 4.21Å; F48-T63 HydrophobicContact CG-CG2 4.03Å; F48-Y65 HydrophobicContact CE1-CE2 4.1Å; F48-Y65 HydrophobicContact CZ-CE2 4.17Å; F48-C146 HydrophobicContact CD2-CB 3.66Å; F48-C146 HydrophobicContact CE2-CB 3.67Å; F48-C146 HydrophobicContact CG-CB 4.17Å; F48-C146 HydrophobicContact CZ-CB 4.19Å; F48-C146 VanDerWaalsContact CZ-SG 3.57Å; F48-V148 HydrophobicContact CB-CG2 3.33Å; F48-V148 HydrophobicContact CD2-CG2 3.86Å; F48-V148 HydrophobicContact CG-CG2 4.12Å; F48-K163 HydrophobicContact CD2-CD 3.65Å; F48-K163 HydrophobicContact CD2-CG 3.5Å; F48-K163 HydrophobicContact CE2-CD 3.72Å; F48-K163 HydrophobicContact CE2-CG 3.59Å; F48-K163 HydrophobicContact CG-CD 4.12Å; F48-K163 HydrophobicContact CG-CG 4.39Å; F48-K163 HydrophobicContact CZ-CD 4.25Å; F48-R165 HydrophobicContact CE2-CB 4.1Å; F48-R165 HydrophobicContact CZ-CB 4.03Å; F48-R165 HydrophobicContact CZ-CG 4.25Å
49	F	92.7	Very high	89.5	Confident	41 Å²	41	54.2 Å²	54.2	18%	0.18	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	123.2	-173.5	-176.2	-88.4	0	0	0	110.8	N44 V51 H61 V62 F84 F89	N44-F49 HydrophobicContact CB-CB 3.94Å; N44-F49 PolarHBondContact O-N 3.28Å; F49-V51 HydrophobicContact CD1-CG2 4Å; F49-V51 HydrophobicContact CE1-CG2 4.36Å; F49-H61 WeakPolarHBondContact O-CA 3.32Å; F49-V62 HydrophobicContact CB-CB 4.32Å; F49-V62 PolarHBondContact O-N 2.88Å; F49-F84 HydrophobicContact CD1-CE1 4.29Å; F49-F84 HydrophobicContact CD1-CE2 4.16Å; F49-F84 AromaticContact CD1-CZ 3.53Å; F49-F84 HydrophobicContact CD1-CZ 3.53Å; F49-F84 HydrophobicContact CE1-CE2 4.05Å; F49-F84 AromaticContact CE1-CZ 3.61Å; F49-F84 HydrophobicContact CE1-CZ 3.61Å; F49-F84 HydrophobicContact CG-CZ 4.42Å; F49-F89 HydrophobicContact CD2-CD1 4.29Å; F49-F89 HydrophobicContact CE1-CB 4.27Å; F49-F89 HydrophobicContact CE1-CD1 4.23Å; F49-F89 AromaticContact CE2-CD1 3.64Å; F49-F89 HydrophobicContact CE2-CD1 3.64Å; F49-F89 HydrophobicContact CE2-CE1 4.16Å; F49-F89 HydrophobicContact CE2-CG 4.47Å; F49-F89 HydrophobicContact CZ-CB 3.91Å; F49-F89 AromaticContact CZ-CD1 3.62Å; F49-F89 HydrophobicContact CZ-CD1 3.62Å; F49-F89 HydrophobicContact CZ-CG 4.11Å
50	P	92.8	Very high	89.7	Confident	41 Å²	41	51.8 Å²	51.8	27%	0.266	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.1	178.5	30.9	-33	0	0	0	110.9	F48 P59 A60	F48-P50 WeakPolarHBondContact O-CD 3.47Å; P50-P59 HydrophobicContact CB-CB 4Å; P50-P59 HydrophobicContact CB-CG 4.02Å; P50-A60 CarbonylContact C-O 3.53Å; P50-A60 WeakPolarHBondContact CA-O 3.34Å
51	V	92.3	Very high	90	Very high	6 Å²	6	51.3 Å²	51.3	4%	0.036	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114.5	178.6	178.9	0	0	0	0	107.5	F49 P59 A60 V62 F82 F84 W94	F49-V51 HydrophobicContact CD1-CG2 4Å; F49-V51 HydrophobicContact CE1-CG2 4.36Å; V51-P59 CarbonylContact O-C 3.56Å; V51-P59 VanDerWaalsContact O-CA 3.29Å; V51-P59 WeakPolarHBondContact O-CA 3.41Å; V51-P59 VanDerWaalsContact O-CB 3.25Å; V51-P59 WeakPolarHBondContact O-CB 3.47Å; V51-A60 PolarHBondContact N-O 3.47Å; V51-A60 PolarHBondContact O-N 3.18Å; V51-V62 HydrophobicContact CG2-CG2 3.58Å; V51-F82 HydrophobicContact CB-CE2 4.46Å; V51-F82 HydrophobicContact CG1-CE2 4.23Å; V51-F82 HydrophobicContact CG2-CE2 4.18Å; V51-F82 HydrophobicContact CG2-CZ 4.5Å; V51-F84 HydrophobicContact CG1-CD2 4.41Å; V51-F84 HydrophobicContact CG1-CE2 4.49Å; V51-F84 HydrophobicContact CG2-CD2 3.68Å; V51-F84 HydrophobicContact CG2-CE2 3.49Å; V51-F84 VanDerWaalsContact CG2-CE2 3.49Å; V51-F84 HydrophobicContact CG2-CZ 4.17Å; V51-W94 HydrophobicContact CG1-CZ2 4.36Å
52	A	88	Confident	90.2	Very high	86 Å²	86	50.6 Å²	50.6	71%	0.711	28%	0.277	S	S	*	.			trans	-69.4	139.5	173.5	0	0	0	0	0	109.8
53	I	85.6	Confident	90.4	Very high	20 Å²	20	43.7 Å²	43.7	10%	0.103	25%	0.25	C	C	.	.			trans	-117.8	131.5	176.7	-42.9	173.6	0	0	0	106.6	G55 V56 A60 W94	I53-G55 PolarHBondContact O-N 3.3Å; I53-V56 HydrophobicContact CB-CB 3.94Å; I53-V56 HydrophobicContact CB-CG2 3.77Å; I53-V56 HydrophobicContact CD1-CB 4.49Å; I53-V56 HydrophobicContact CD1-CG2 4.33Å; I53-V56 HydrophobicContact CG2-CB 4.44Å; I53-V56 HydrophobicContact CG2-CG2 3.71Å; I53-V56 PolarHBondContact O-N 3.43Å; I53-A60 HydrophobicContact CD1-CB 4.05Å; I53-W94 HydrophobicContact CB-CH2 4.38Å; I53-W94 HydrophobicContact CB-CZ2 4.35Å; I53-W94 HydrophobicContact CD1-CH2 3.3Å; I53-W94 HydrophobicContact CD1-CZ2 4.08Å; I53-W94 HydrophobicContact CD1-CZ3 3.66Å; I53-W94 HydrophobicContact CG1-CH2 3.42Å; I53-W94 VanDerWaalsContact CG1-CH2 3.42Å; I53-W94 HydrophobicContact CG1-CZ2 3.67Å; I53-W94 HydrophobicContact CG1-CZ3 4.18Å; I53-W94 HydrophobicContact CG2-CD2 4.44Å; I53-W94 HydrophobicContact CG2-CE3 4.47Å; I53-W94 HydrophobicContact CG2-CH2 4.15Å; I53-W94 HydrophobicContact CG2-CZ2 4.07Å; I53-W94 HydrophobicContact CG2-CZ3 4.34Å
54	E	81.5	Confident	90.6	Very high	196 Å²	196	46.5 Å²	46.5	92%	0.916	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	128.5	178	-168.8	173.3	-173.4	0	0	110.5	V56	E54-V56 VanDerWaalsContact C-N 3.29Å; E54-V56 PolarHBondContact O-N 3.16Å
55	G	80.1	Confident	90.8	Very high	90 Å²	90	49.1 Å²	49.1	93%	0.928	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-1.1	-179.9	0	0	0	0	0	116.1	I53	I53-G55 PolarHBondContact O-N 3.3Å
56	V	83.6	Confident	90.8	Very high	42 Å²	42	47.8 Å²	47.8	26%	0.255	27%	0.274	S	S	.	.			trans	-110.6	126.8	178.8	-169.8	0	0	0	0	109.5	I53 E54 K58 N78	I53-V56 HydrophobicContact CB-CB 3.94Å; I53-V56 HydrophobicContact CB-CG2 3.77Å; I53-V56 HydrophobicContact CD1-CB 4.49Å; I53-V56 HydrophobicContact CD1-CG2 4.33Å; I53-V56 HydrophobicContact CG2-CB 4.44Å; I53-V56 HydrophobicContact CG2-CG2 3.71Å; I53-V56 PolarHBondContact O-N 3.43Å; E54-V56 VanDerWaalsContact C-N 3.29Å; E54-V56 PolarHBondContact O-N 3.16Å; V56-K58 WeakPolarHBondContact CG1-O 3.25Å; V56-K58 PolarHBondContact O-N 3.48Å; V56-N78 VanDerWaalsContact CG2-ND2 3.26Å; V56-N78 WeakPolarHBondContact CG2-ND2 3.19Å
57	E	83.4	Confident	90.9	Very high	186 Å²	186	48.8 Å²	48.8	87%	0.869	28%	0.28	S	S	*	.	S	Bend	trans	-64.9	-39.9	-177.5	-172.4	-176.4	-175.8	0	0	112.7
58	K	89.3	Confident	91	Very high	62 Å²	62	51 Å²	51	27%	0.27	29%	0.291	S	S	.	.	S	Bend	trans	-103	131.8	-175.6	-51.4	-158.2	-161.3	178.3	0	111.1	V56 R77 D117	V56-K58 WeakPolarHBondContact CG1-O 3.25Å; V56-K58 PolarHBondContact O-N 3.48Å; K58-R77 VanDerWaalsContact CD-NH1 3.28Å; K58-D117 IonicContact NZ-OD1 3.88Å; K58-D117 PolarHBondContact NZ-OD1 3.36Å; K58-D117 VanDerWaalsContact NZ-OD1 3.16Å; K58-D117 IonicContact NZ-OD2 2.66Å; K58-D117 PolarHBondContact NZ-OD2 3.28Å
59	P	92.9	Very high	90.9	Very high	29 Å²	29	54.9 Å²	54.9	19%	0.188	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-70.6	156.2	-178.3	30.4	-35.7	0	0	0	111.9	P50 V51 N130	P50-P59 HydrophobicContact CB-CB 4Å; P50-P59 HydrophobicContact CB-CG 4.02Å; V51-P59 CarbonylContact O-C 3.56Å; V51-P59 VanDerWaalsContact O-CA 3.29Å; V51-P59 WeakPolarHBondContact O-CA 3.41Å; V51-P59 VanDerWaalsContact O-CB 3.25Å; V51-P59 WeakPolarHBondContact O-CB 3.47Å; P59-N130 PolarHBondContact O-OD1 2.89Å
60	A	93.8	Very high	90.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	147.5	162.5	0	0	0	0	0	110.1	P50 V51 I53 H75 F82 W94	P50-A60 CarbonylContact C-O 3.53Å; P50-A60 WeakPolarHBondContact CA-O 3.34Å; V51-A60 PolarHBondContact N-O 3.47Å; V51-A60 PolarHBondContact O-N 3.18Å; I53-A60 HydrophobicContact CD1-CB 4.05Å; A60-H75 HydrophobicContact CB-CB 4.17Å; A60-H75 WeakPolarHBondContact CB-ND1 3.29Å; A60-F82 HydrophobicContact CB-CE1 3.84Å; A60-F82 HydrophobicContact CB-CZ 3.97Å; A60-W94 HydrophobicContact CB-CH2 4.34Å
61	H	95.1	Very high	90.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.8	172.4	-62.6	175	0	0	0	110.6	F48 F49 T63 N66 S128 N130 Y132	F48-H61 HydrophobicContact CB-CB 4.42Å; F49-H61 WeakPolarHBondContact O-CA 3.32Å; H61-T63 HydrophobicContact CB-CG2 3.65Å; H61-T63 PolarHBondContact O-N 3.2Å; H61-N66 PolarHBondContact O-ND2 3.48Å; H61-S128 PolarHBondContact CE1-O 3.3Å; H61-S128 PolarHBondContact NE2-OG 3.07Å; H61-N130 VanDerWaalsContact CB-OD1 3.27Å; H61-N130 WeakPolarHBondContact CB-OD1 3.44Å; H61-N130 PolarHBondContact CD2-OD1 3.03Å; H61-N130 PolarHBondContact N-OD1 2.88Å; H61-Y132 PolarHBondContact O-OH 3.49Å
62	V	95.6	Very high	90.8	Very high	0 Å²	0	58 Å²	58	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	110	167.3	170.3	0	0	0	0	107.7	N44 K45 F48 F49 V51 F73 F82 F84	N44-V62 HydrophobicContact CB-CG1 4.25Å; K45-V62 WeakPolarHBondContact CA-O 3.49Å; K45-V62 HydrophobicContact CG-CG1 3.86Å; F48-V62 WeakPolarHBondContact CA-O 3.29Å; F49-V62 HydrophobicContact CB-CB 4.32Å; F49-V62 PolarHBondContact O-N 2.88Å; V51-V62 HydrophobicContact CG2-CG2 3.58Å; V62-F73 HydrophobicContact CG1-CD1 4.29Å; V62-F73 HydrophobicContact CG1-CE1 3.75Å; V62-F73 HydrophobicContact CG1-CE2 4.05Å; V62-F73 HydrophobicContact CG1-CZ 3.62Å; V62-F73 HydrophobicContact CG2-CD2 4.38Å; V62-F82 HydrophobicContact CG2-CE2 4.26Å; V62-F82 HydrophobicContact CG2-CZ 4.41Å; V62-F84 HydrophobicContact CG1-CD1 4.31Å; V62-F84 HydrophobicContact CG2-CB 4.3Å; V62-F84 HydrophobicContact CG2-CD1 3.68Å; V62-F84 HydrophobicContact CG2-CD2 4.18Å; V62-F84 HydrophobicContact CG2-CE1 3.97Å; V62-F84 HydrophobicContact CG2-CE2 4.46Å; V62-F84 HydrophobicContact CG2-CG 3.78Å; V62-F84 HydrophobicContact CG2-CZ 4.35Å
63	T	96.1	Very high	91.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.304	C	S	.	.			trans	-136.8	164.4	-176.5	80.4	0	0	0	0	110.7	F48 H61 Y65 N66 Y132	F48-T63 HydrophobicContact CB-CG2 4.2Å; F48-T63 HydrophobicContact CD1-CG2 3.56Å; F48-T63 HydrophobicContact CE1-CG2 4.21Å; F48-T63 HydrophobicContact CG-CG2 4.03Å; H61-T63 HydrophobicContact CB-CG2 3.65Å; H61-T63 PolarHBondContact O-N 3.2Å; T63-Y65 PolarHBondContact O-N 3.06Å; T63-Y65 WeakPolarHBondContact OG1-CB 3.38Å; T63-Y65 PolarHBondContact OG1-N 3Å; T63-N66 WeakPolarHBondContact CA-OD1 3.44Å; T63-N66 PolarHBondContact N-OD1 2.85Å; T63-N66 PolarHBondContact O-OD1 3.43Å; T63-N66 PolarHBondContact OG1-N 3.43Å; T63-N66 PolarHBondContact OG1-OD1 2.84Å; T63-Y132 HydrophobicContact CG2-CE2 4.09Å; T63-Y132 WeakPolarHBondContact CG2-OH 3.03Å
64	P	94.9	Very high	91.7	Very high	73 Å²	73	53.4 Å²	53.4	47%	0.474	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.3	168.8	-19.4	32.9	0	0	0	113.4	K45	K45-P64 HydrophobicContact CB-CG 4.18Å; K45-P64 WeakPolarHBondContact O-CD 3.25Å
65	Y	94.8	Very high	92.3	Very high	55 Å²	55	44.1 Å²	44.1	22%	0.216	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-12.3	-172.4	-55.1	-66.2	0	0	0	113.6	F48 T63 Y132 L134 V144 R165	F48-Y65 HydrophobicContact CE1-CE2 4.1Å; F48-Y65 HydrophobicContact CZ-CE2 4.17Å; T63-Y65 PolarHBondContact O-N 3.06Å; T63-Y65 WeakPolarHBondContact OG1-CB 3.38Å; T63-Y65 PolarHBondContact OG1-N 3Å; Y65-Y132 HydrophobicContact CG-CD2 4.48Å; Y65-L134 HydrophobicContact CD1-CD1 3.93Å; Y65-V144 HydrophobicContact CD1-CB 4.35Å; Y65-V144 HydrophobicContact CD1-CG1 4.01Å; Y65-V144 HydrophobicContact CD1-CG2 4.04Å; Y65-V144 HydrophobicContact CD2-CG1 3.74Å; Y65-V144 HydrophobicContact CE1-CG1 4.12Å; Y65-V144 HydrophobicContact CE1-CG2 4.34Å; Y65-V144 HydrophobicContact CE2-CG1 3.85Å; Y65-V144 HydrophobicContact CG-CB 4.29Å; Y65-V144 HydrophobicContact CG-CG1 3.83Å; Y65-V144 HydrophobicContact CG-CG2 4.47Å; Y65-R165 HydrophobicContact CE2-CG 4.24Å; Y65-R165 WeakPolarHBondContact OH-CD 3.38Å; Y65-R165 PolarHBondContact OH-NH1 2.78Å
66	N	94.8	Very high	92.9	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	21%	0.214	C	C	.	.	S	Bend	trans	-125	11	179.8	66.8	-32.3	0	0	0	113.6	H61 T63 I68 F73 Y74 Y132	H61-N66 PolarHBondContact O-ND2 3.48Å; T63-N66 WeakPolarHBondContact CA-OD1 3.44Å; T63-N66 PolarHBondContact N-OD1 2.85Å; T63-N66 PolarHBondContact O-OD1 3.43Å; T63-N66 PolarHBondContact OG1-N 3.43Å; T63-N66 PolarHBondContact OG1-OD1 2.84Å; N66-I68 PolarHBondContact O-N 3.02Å; N66-F73 CarbonylContact O-C 3.57Å; N66-F73 WeakPolarHBondContact O-CA 3.2Å; N66-Y74 VanDerWaalsContact CB-O 3.25Å; N66-Y74 WeakPolarHBondContact CB-O 3.47Å; N66-Y74 PolarHBondContact ND2-O 2.91Å; N66-Y74 PolarHBondContact O-N 2.95Å; N66-Y132 HydrophobicContact CB-CD1 3.82Å; N66-Y132 HydrophobicContact CB-CE1 3.43Å; N66-Y132 VanDerWaalsContact CB-CE1 3.43Å
67	E	95	Very high	93.3	Very high	69 Å²	69	40.8 Å²	40.8	32%	0.322	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	117.9	173.3	-172.9	167.8	-153.3	0	0	109.7	K45 E69 F73	K45-E67 WeakPolarHBondContact CE-OE1 3.47Å; K45-E67 VanDerWaalsContact CE-OE2 3.28Å; K45-E67 WeakPolarHBondContact CE-OE2 3.1Å; K45-E67 IonicContact NZ-OE1 3.07Å; K45-E67 PolarHBondContact NZ-OE1 3.49Å; K45-E67 IonicContact NZ-OE2 2.86Å; K45-E67 PolarHBondContact NZ-OE2 3.22Å; E67-E69 WeakPolarHBondContact CG-O 3.18Å; E67-F73 HydrophobicContact CB-CD1 4.11Å; E67-F73 HydrophobicContact CB-CE1 3.88Å; E67-F73 HydrophobicContact CG-CE1 4.13Å
68	I	93.5	Very high	93.6	Very high	60 Å²	60	34.6 Å²	34.6	31%	0.308	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-50.6	177.3	-58.9	160.5	0	0	0	109.3	N66 R72 Y97	N66-I68 PolarHBondContact O-N 3.02Å; I68-R72 HydrophobicContact CD1-CG 4.32Å; I68-R72 PolarHBondContact N-O 3.33Å; I68-Y97 HydrophobicContact CD1-CD1 3.94Å; I68-Y97 HydrophobicContact CD1-CD2 3.84Å; I68-Y97 HydrophobicContact CD1-CE1 3.82Å; I68-Y97 HydrophobicContact CD1-CE2 3.72Å; I68-Y97 HydrophobicContact CD1-CG 3.94Å; I68-Y97 HydrophobicContact CG1-CE1 4.18Å; I68-Y97 HydrophobicContact CG1-CE2 4.39Å; I68-Y97 HydrophobicContact CG2-CE2 3.99Å
69	E	92.5	Very high	93.7	Very high	89 Å²	89	37.9 Å²	37.9	42%	0.416	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	172.1	176.4	59.4	170.3	-162.8	0	0	108.4	E67 S71 R72 R83	E67-E69 WeakPolarHBondContact CG-O 3.18Å; E69-S71 PolarHBondContact O-N 2.83Å; E69-R72 HydrophobicContact CG-CB 3.45Å; E69-R72 VanDerWaalsContact CG-CB 3.45Å; E69-R72 HydrophobicContact CG-CG 4.35Å; E69-R72 PolarHBondContact O-N 3.42Å; E69-R72 IonicContact OE1-NE 3.27Å; E69-R72 PolarHBondContact OE1-NE 2.93Å; E69-R72 VanDerWaalsContact OE1-NE 3.16Å; E69-R83 IonicContact OE1-CZ 2.76Å; E69-R83 IonicContact OE1-NH1 3.84Å; E69-R83 IonicContact OE1-NH2 3.48Å; E69-R83 PolarHBondContact OE1-NH2 3.05Å
70	A	89.5	Confident	93.7	Very high	78 Å²	78	39 Å²	39	65%	0.645	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	118.3	-179.7	0	0	0	0	0	111.5	R72	A70-R72 PolarHBondContact O-N 3.29Å
71	S	91.6	Very high	93.8	Very high	45 Å²	45	39.1 Å²	39.1	32%	0.315	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	8.9	-178.7	-58.6	0	0	0	0	116.4	E69 R83 F84	E69-S71 PolarHBondContact O-N 2.83Å; S71-R83 CarbonylContact O-C 3.53Å; S71-R83 VanDerWaalsContact O-CA 3.26Å; S71-R83 WeakPolarHBondContact O-CA 3.29Å; S71-F84 PolarHBondContact O-N 3.06Å
72	R	95.6	Very high	93.8	Very high	31 Å²	31	39.1 Å²	39.1	12%	0.117	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.9	170.8	-172.2	179.5	-73.9	-84.9	-1.3	110.9	I68 E69 A70 S81 F82 D93	I68-R72 HydrophobicContact CD1-CG 4.32Å; I68-R72 PolarHBondContact N-O 3.33Å; E69-R72 HydrophobicContact CG-CB 3.45Å; E69-R72 VanDerWaalsContact CG-CB 3.45Å; E69-R72 HydrophobicContact CG-CG 4.35Å; E69-R72 PolarHBondContact O-N 3.42Å; E69-R72 IonicContact OE1-NE 3.27Å; E69-R72 PolarHBondContact OE1-NE 2.93Å; E69-R72 VanDerWaalsContact OE1-NE 3.16Å; A70-R72 PolarHBondContact O-N 3.29Å; R72-S81 PolarHBondContact NH1-OG 3.33Å; R72-F82 CarbonylContact C-O 3.56Å; R72-F82 VanDerWaalsContact CA-O 3.31Å; R72-F82 WeakPolarHBondContact CA-O 3.45Å; R72-D93 IonicContact CZ-OD2 3.5Å; R72-D93 PolarHBondContact NH1-O 3.41Å; R72-D93 IonicContact NH1-OD2 3.68Å; R72-D93 IonicContact NH2-OD2 2.8Å; R72-D93 PolarHBondContact NH2-OD2 2.77Å
73	F	96.3	Very high	93.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.1	-174.7	-60.3	-86.2	0	0	0	111.4	K45 V62 N66 E67 S81 F82 F84 H86	K45-F73 HydrophobicContact CG-CE1 4.23Å; K45-F73 HydrophobicContact CG-CZ 4.36Å; V62-F73 HydrophobicContact CG1-CD1 4.29Å; V62-F73 HydrophobicContact CG1-CE1 3.75Å; V62-F73 HydrophobicContact CG1-CE2 4.05Å; V62-F73 HydrophobicContact CG1-CZ 3.62Å; V62-F73 HydrophobicContact CG2-CD2 4.38Å; N66-F73 CarbonylContact O-C 3.57Å; N66-F73 WeakPolarHBondContact O-CA 3.2Å; E67-F73 HydrophobicContact CB-CD1 4.11Å; E67-F73 HydrophobicContact CB-CE1 3.88Å; E67-F73 HydrophobicContact CG-CE1 4.13Å; F73-S81 CarbonylContact O-C 3.57Å; F73-S81 WeakPolarHBondContact O-CA 3.38Å; F73-F82 HydrophobicContact CB-CD1 4.3Å; F73-F82 HydrophobicContact CB-CD2 4.5Å; F73-F82 HydrophobicContact CB-CE1 3.73Å; F73-F82 HydrophobicContact CB-CE2 3.96Å; F73-F82 HydrophobicContact CB-CZ 3.55Å; F73-F82 HydrophobicContact CD2-CE2 4.21Å; F73-F82 HydrophobicContact CG-CE2 4.44Å; F73-F82 HydrophobicContact CG-CZ 4.32Å; F73-F82 PolarHBondContact N-O 2.87Å; F73-F82 VanDerWaalsContact O-CD1 3.31Å; F73-F82 WeakPolarHBondContact O-CD1 3.49Å; F73-F82 PolarHBondContact O-N 2.78Å; F73-F84 HydrophobicContact CD2-CB 3.78Å; F73-F84 HydrophobicContact CE2-CB 3.8Å; F73-H86 AromaticContact CE2-CE1 3.97Å; F73-H86 AromaticContact CE2-NE2 3.97Å; F73-H86 AromaticContact CZ-CE1 3.75Å; F73-H86 AromaticContact CZ-NE2 3.79Å
74	Y	95	Very high	93.7	Very high	9 Å²	9	43.8 Å²	43.8	4%	0.035	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	137.6	174.3	-178.7	-124.9	0	0	0	111.3	N66 P76 M80 Y97 I102	N66-Y74 VanDerWaalsContact CB-O 3.25Å; N66-Y74 WeakPolarHBondContact CB-O 3.47Å; N66-Y74 PolarHBondContact ND2-O 2.91Å; N66-Y74 PolarHBondContact O-N 2.95Å; Y74-P76 HydrophobicContact CD1-CB 4.41Å; Y74-P76 HydrophobicContact CD1-CG 3.81Å; Y74-P76 VanDerWaalsContact CE1-CA 3.46Å; Y74-P76 HydrophobicContact CE1-CB 3.81Å; Y74-P76 HydrophobicContact CE1-CG 3.71Å; Y74-M80 WeakPolarHBondContact CD2-O 3.34Å; Y74-Y97 AromaticContact CD2-CD1 3.45Å; Y74-Y97 HydrophobicContact CD2-CD1 3.45Å; Y74-Y97 VanDerWaalsContact CD2-CD1 3.45Å; Y74-Y97 HydrophobicContact CD2-CE1 4.31Å; Y74-Y97 HydrophobicContact CD2-CG 4.13Å; Y74-Y97 AromaticContact CE2-CD1 3.73Å; Y74-Y97 HydrophobicContact CE2-CD1 3.73Å; Y74-Y97 HydrophobicContact CE2-CG 4.46Å; Y74-Y97 HydrophobicContact CG-CD1 4.15Å; Y74-I102 HydrophobicContact CD1-CD1 3.96Å; Y74-I102 HydrophobicContact CD1-CG2 4.44Å; Y74-I102 HydrophobicContact CE1-CD1 4.02Å; Y74-I102 HydrophobicContact CE1-CG2 3.53Å
75	H	94.4	Very high	93.5	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	101.5	170.7	-174.8	50.3	0	0	0	109.9	A60 R77 N78 R79 M80 F82 W94	A60-H75 HydrophobicContact CB-CB 4.17Å; A60-H75 WeakPolarHBondContact CB-ND1 3.29Å; H75-R77 VanDerWaalsContact C-N 3.33Å; H75-R77 PolarHBondContact O-N 3.04Å; H75-N78 PolarHBondContact O-N 3.3Å; H75-R79 PolarHBondContact O-N 3.45Å; H75-M80 PolarHBondContact N-O 3.35Å; H75-M80 PolarHBondContact O-N 3.06Å; H75-F82 HydrophobicContact CB-CE1 4.3Å; H75-W94 HydrophobicContact CB-CZ3 4.31Å
76	P	93.4	Very high	93.2	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.013	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-39.2	-172.3	-25.4	32.6	0	0	0	114.7	Y74 N78 R79 Y132	Y74-P76 HydrophobicContact CD1-CB 4.41Å; Y74-P76 HydrophobicContact CD1-CG 3.81Å; Y74-P76 VanDerWaalsContact CE1-CA 3.46Å; Y74-P76 HydrophobicContact CE1-CB 3.81Å; Y74-P76 HydrophobicContact CE1-CG 3.71Å; P76-N78 VanDerWaalsContact C-N 3.34Å; P76-N78 PolarHBondContact O-N 3.48Å; P76-R79 PolarHBondContact O-N 2.8Å; P76-Y132 HydrophobicContact CG-CD1 3.56Å; P76-Y132 HydrophobicContact CG-CE1 3.91Å
77	R	91.9	Very high	92.6	Very high	61 Å²	61	43.2 Å²	43.2	23%	0.23	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-41.4	-174.6	-174.7	178.1	-64.1	-128.6	4.6	113	K58 H75 E113 D117	K58-R77 VanDerWaalsContact CD-NH1 3.28Å; H75-R77 VanDerWaalsContact C-N 3.33Å; H75-R77 PolarHBondContact O-N 3.04Å; R77-E113 IonicContact CZ-OE1 2.68Å; R77-E113 IonicContact NE-OE1 3.07Å; R77-E113 PolarHBondContact NE-OE1 3.28Å; R77-E113 VanDerWaalsContact NE-OE1 3.07Å; R77-E113 IonicContact NE-OE2 3.04Å; R77-E113 IonicContact NH2-OE1 2.65Å; R77-E113 PolarHBondContact NH2-OE1 3.38Å; R77-D117 IonicContact CZ-OD1 3.68Å; R77-D117 IonicContact CZ-OD2 3.16Å; R77-D117 VanDerWaalsContact CZ-OD2 3.29Å; R77-D117 IonicContact NH1-OD1 2.72Å; R77-D117 IonicContact NH1-OD2 2.7Å; R77-D117 PolarHBondContact NH1-OD2 3.08Å; R77-D117 VanDerWaalsContact NH2-CG 3.32Å; R77-D117 IonicContact NH2-OD1 2.65Å; R77-D117 PolarHBondContact NH2-OD1 2.84Å; R77-D117 IonicContact NH2-OD2 2.62Å; R77-D117 PolarHBondContact NH2-OD2 2.68Å
78	N	88.8	Confident	92.1	Very high	55 Å²	55	45.7 Å²	45.7	29%	0.294	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-2.4	-179.7	-58.6	-6.6	0	0	0	112.7	V56 H75 P76 M80	V56-N78 VanDerWaalsContact CG2-ND2 3.26Å; V56-N78 WeakPolarHBondContact CG2-ND2 3.19Å; H75-N78 PolarHBondContact O-N 3.3Å; P76-N78 VanDerWaalsContact C-N 3.34Å; P76-N78 PolarHBondContact O-N 3.48Å; N78-M80 HydrophobicContact CB-CG 3.96Å; N78-M80 HydrophobicContact CB-SD 4.24Å; N78-M80 WeakPolarHBondContact O-CG 3.42Å; N78-M80 PolarHBondContact O-N 2.89Å
79	R	92.3	Very high	91.8	Very high	131 Å²	131	45.4 Å²	45.4	49%	0.494	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	42.6	-173.5	-54.8	-175.9	-179	-179.8	-0.3	112.8	H75 P76 Y97	H75-R79 PolarHBondContact O-N 3.45Å; P76-R79 PolarHBondContact O-N 2.8Å; R79-Y97 PolarHBondContact O-N 3.01Å
80	M	93.4	Very high	91.6	Very high	52 Å²	52	47 Å²	47	26%	0.256	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	149.6	179	-59.5	-173.4	81.1	0	0	110.5	Y74 H75 N78 W94 S95	Y74-M80 WeakPolarHBondContact CD2-O 3.34Å; H75-M80 PolarHBondContact N-O 3.35Å; H75-M80 PolarHBondContact O-N 3.06Å; N78-M80 HydrophobicContact CB-CG 3.96Å; N78-M80 HydrophobicContact CB-SD 4.24Å; N78-M80 WeakPolarHBondContact O-CG 3.42Å; N78-M80 PolarHBondContact O-N 2.89Å; M80-W94 HydrophobicContact CB-CE3 3.88Å; M80-W94 HydrophobicContact CB-CZ3 4.21Å; M80-W94 HydrophobicContact CE-CB 3.81Å; M80-W94 HydrophobicContact CE-CE3 4.35Å; M80-W94 HydrophobicContact SD-CE3 4.15Å; M80-S95 CarbonylContact C-O 3.47Å; M80-S95 VanDerWaalsContact CA-O 3.26Å; M80-S95 WeakPolarHBondContact CA-O 3.31Å
81	S	94.7	Very high	91.8	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	155.3	162.4	77.5	0	0	0	0	110.4	R72 F73 W94 S95	R72-S81 PolarHBondContact NH1-OG 3.33Å; F73-S81 CarbonylContact O-C 3.57Å; F73-S81 WeakPolarHBondContact O-CA 3.38Å; S81-W94 VanDerWaalsContact O-CA 3.3Å; S81-W94 WeakPolarHBondContact O-CA 3.43Å; S81-S95 PolarHBondContact N-O 3.07Å; S81-S95 PolarHBondContact O-N 3.48Å; S81-S95 PolarHBondContact OG-OG 2.84Å
82	F	95.2	Very high	91.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	149.4	175.6	62.1	-82.8	0	0	0	110.6	V51 A60 V62 R72 F73 H75 F84 W94	V51-F82 HydrophobicContact CB-CE2 4.46Å; V51-F82 HydrophobicContact CG1-CE2 4.23Å; V51-F82 HydrophobicContact CG2-CE2 4.18Å; V51-F82 HydrophobicContact CG2-CZ 4.5Å; A60-F82 HydrophobicContact CB-CE1 3.84Å; A60-F82 HydrophobicContact CB-CZ 3.97Å; V62-F82 HydrophobicContact CG2-CE2 4.26Å; V62-F82 HydrophobicContact CG2-CZ 4.41Å; R72-F82 CarbonylContact C-O 3.56Å; R72-F82 VanDerWaalsContact CA-O 3.31Å; R72-F82 WeakPolarHBondContact CA-O 3.45Å; F73-F82 HydrophobicContact CB-CD1 4.3Å; F73-F82 HydrophobicContact CB-CD2 4.5Å; F73-F82 HydrophobicContact CB-CE1 3.73Å; F73-F82 HydrophobicContact CB-CE2 3.96Å; F73-F82 HydrophobicContact CB-CZ 3.55Å; F73-F82 HydrophobicContact CD2-CE2 4.21Å; F73-F82 HydrophobicContact CG-CE2 4.44Å; F73-F82 HydrophobicContact CG-CZ 4.32Å; F73-F82 PolarHBondContact N-O 2.87Å; F73-F82 VanDerWaalsContact O-CD1 3.31Å; F73-F82 WeakPolarHBondContact O-CD1 3.49Å; F73-F82 PolarHBondContact O-N 2.78Å; H75-F82 HydrophobicContact CB-CE1 4.3Å; F82-F84 HydrophobicContact CD2-CB 4.15Å; F82-F84 HydrophobicContact CE2-CB 3.95Å; F82-F84 HydrophobicContact CE2-CD2 4.42Å; F82-F84 HydrophobicContact CE2-CG 4.47Å; F82-W94 HydrophobicContact CB-CD2 3.56Å; F82-W94 HydrophobicContact CB-CE3 3.76Å; F82-W94 HydrophobicContact CB-CG 4.13Å; F82-W94 HydrophobicContact CB-CH2 3.84Å; F82-W94 HydrophobicContact CB-CZ2 3.68Å; F82-W94 HydrophobicContact CB-CZ3 3.9Å; F82-W94 HydrophobicContact CD1-CE3 4.18Å; F82-W94 AromaticContact CD1-CH2 3.25Å; F82-W94 HydrophobicContact CD1-CH2 3.25Å; F82-W94 AromaticContact CD1-CZ2 3.86Å; F82-W94 HydrophobicContact CD1-CZ2 3.86Å; F82-W94 AromaticContact CD1-CZ3 3.46Å; F82-W94 HydrophobicContact CD1-CZ3 3.46Å; F82-W94 VanDerWaalsContact CD1-CZ3 3.46Å; F82-W94 HydrophobicContact CD2-CH2 4.26Å; F82-W94 HydrophobicContact CD2-CZ2 4.07Å; F82-W94 AromaticContact CE1-CH2 3.77Å; F82-W94 HydrophobicContact CE1-CH2 3.77Å; F82-W94 HydrophobicContact CE1-CZ2 4.49Å; F82-W94 HydrophobicContact CE1-CZ3 4.23Å; F82-W94 HydrophobicContact CG-CD2 4.36Å; F82-W94 HydrophobicContact CG-CE3 4.31Å; F82-W94 AromaticContact CG-CH2 3.53Å; F82-W94 HydrophobicContact CG-CH2 3.53Å; F82-W94 AromaticContact CG-CZ2 3.61Å; F82-W94 HydrophobicContact CG-CZ2 3.61Å; F82-W94 AromaticContact CG-CZ3 3.92Å; F82-W94 HydrophobicContact CG-CZ3 3.92Å; F82-W94 HydrophobicContact CZ-CH2 4.44Å
83	R	95	Very high	91.7	Very high	94 Å²	94	49 Å²	49	36%	0.355	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	140.6	165	-72	-172.5	176.9	-75.5	-8.9	109.5	E69 S71 S91 T92 D93	E69-R83 IonicContact OE1-CZ 2.76Å; E69-R83 IonicContact OE1-NH1 3.84Å; E69-R83 IonicContact OE1-NH2 3.48Å; E69-R83 PolarHBondContact OE1-NH2 3.05Å; S71-R83 CarbonylContact O-C 3.53Å; S71-R83 VanDerWaalsContact O-CA 3.26Å; S71-R83 WeakPolarHBondContact O-CA 3.29Å; R83-S91 CarbonylContact O-C 3.55Å; R83-S91 VanDerWaalsContact O-CA 3.28Å; R83-S91 WeakPolarHBondContact O-CA 3.48Å; R83-T92 PolarHBondContact N-O 3.04Å; R83-T92 PolarHBondContact O-N 3.24Å; R83-D93 HydrophobicContact CB-CB 4.41Å; R83-D93 HydrophobicContact CG-CB 4.28Å; R83-D93 IonicContact NE-OD2 3.16Å
84	F	94	Very high	91.6	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.5	177.1	-174.2	-107	0	0	0	111.1	N44 F49 V51 V62 S71 F73 F82 H86 F89 E90	N44-F84 HydrophobicContact CB-CE1 4.42Å; F49-F84 HydrophobicContact CD1-CE1 4.29Å; F49-F84 HydrophobicContact CD1-CE2 4.16Å; F49-F84 AromaticContact CD1-CZ 3.53Å; F49-F84 HydrophobicContact CD1-CZ 3.53Å; F49-F84 HydrophobicContact CE1-CE2 4.05Å; F49-F84 AromaticContact CE1-CZ 3.61Å; F49-F84 HydrophobicContact CE1-CZ 3.61Å; F49-F84 HydrophobicContact CG-CZ 4.42Å; V51-F84 HydrophobicContact CG1-CD2 4.41Å; V51-F84 HydrophobicContact CG1-CE2 4.49Å; V51-F84 HydrophobicContact CG2-CD2 3.68Å; V51-F84 HydrophobicContact CG2-CE2 3.49Å; V51-F84 VanDerWaalsContact CG2-CE2 3.49Å; V51-F84 HydrophobicContact CG2-CZ 4.17Å; V62-F84 HydrophobicContact CG1-CD1 4.31Å; V62-F84 HydrophobicContact CG2-CB 4.3Å; V62-F84 HydrophobicContact CG2-CD1 3.68Å; V62-F84 HydrophobicContact CG2-CD2 4.18Å; V62-F84 HydrophobicContact CG2-CE1 3.97Å; V62-F84 HydrophobicContact CG2-CE2 4.46Å; V62-F84 HydrophobicContact CG2-CG 3.78Å; V62-F84 HydrophobicContact CG2-CZ 4.35Å; S71-F84 PolarHBondContact O-N 3.06Å; F73-F84 HydrophobicContact CD2-CB 3.78Å; F73-F84 HydrophobicContact CE2-CB 3.8Å; F82-F84 HydrophobicContact CD2-CB 4.15Å; F82-F84 HydrophobicContact CE2-CB 3.95Å; F82-F84 HydrophobicContact CE2-CD2 4.42Å; F82-F84 HydrophobicContact CE2-CG 4.47Å; F84-H86 AromaticContact CD1-CE1 3.65Å; F84-H86 AromaticContact CD1-CG 3.96Å; F84-H86 AromaticContact CD1-ND1 3.31Å; F84-H86 VanDerWaalsContact CD1-ND1 3.31Å; F84-H86 WeakPolarHBondContact CD1-ND1 3.48Å; F84-H86 AromaticContact CE1-ND1 3.47Å; F84-H86 WeakPolarHBondContact CE1-ND1 3.3Å; F84-H86 PolarHBondContact O-N 2.76Å; F84-F89 HydrophobicContact CZ-CB 4.31Å; F84-F89 HydrophobicContact CZ-CD1 4.41Å; F84-E90 WeakPolarHBondContact CA-O 3.42Å; F84-E90 VanDerWaalsContact CD2-O 3.29Å; F84-E90 WeakPolarHBondContact CD2-O 3.27Å
85	D	91	Very high	91.5	Very high	71 Å²	71	53.5 Å²	53.5	38%	0.38	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	105.9	171.3	-173.5	-30.6	0	0	0	108.9	M87 Q88 F89 E90	D85-M87 PolarHBondContact O-N 2.87Å; D85-M87 WeakPolarHBondContact OD1-CA 3.35Å; D85-M87 WeakPolarHBondContact OD1-CB 3.42Å; D85-M87 PolarHBondContact OD1-N 3.32Å; D85-Q88 HydrophobicContact CB-CB 4.23Å; D85-Q88 PolarHBondContact O-N 2.94Å; D85-Q88 PolarHBondContact OD1-N 3.22Å; D85-Q88 WeakPolarHBondContact OD2-CG 2.91Å; D85-F89 VanDerWaalsContact O-CA 3.32Å; D85-F89 WeakPolarHBondContact O-CA 3.43Å; D85-F89 PolarHBondContact O-N 3.37Å; D85-E90 PolarHBondContact N-O 3.2Å
86	H	88.8	Confident	91.5	Very high	9 Å²	9	59 Å²	59	4%	0.042	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.1	-179	-66.7	-69.1	0	0	0	114.3	F40 A41 N44 F73 F84	F40-H86 HydrophobicContact CB-CB 3.93Å; F40-H86 WeakPolarHBondContact CB-O 2.92Å; A41-H86 HydrophobicContact CB-CB 4.44Å; A41-H86 WeakPolarHBondContact CB-CD2 3.33Å; N44-H86 PolarHBondContact ND2-ND1 3.48Å; N44-H86 PolarHBondContact ND2-O 3.36Å; F73-H86 AromaticContact CE2-CE1 3.97Å; F73-H86 AromaticContact CE2-NE2 3.97Å; F73-H86 AromaticContact CZ-CE1 3.75Å; F73-H86 AromaticContact CZ-NE2 3.79Å; F84-H86 AromaticContact CD1-CE1 3.65Å; F84-H86 AromaticContact CD1-CG 3.96Å; F84-H86 AromaticContact CD1-ND1 3.31Å; F84-H86 VanDerWaalsContact CD1-ND1 3.31Å; F84-H86 WeakPolarHBondContact CD1-ND1 3.48Å; F84-H86 AromaticContact CE1-ND1 3.47Å; F84-H86 WeakPolarHBondContact CE1-ND1 3.3Å; F84-H86 PolarHBondContact O-N 2.76Å
87	M	83.1	Confident	91.5	Very high	43 Å²	43	61.8 Å²	61.8	21%	0.212	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-43	178.2	-66.5	-68.8	-55.1	0	0	111.7	A36 F40 D85 F89	A36-M87 HydrophobicContact CB-CE 4.39Å; A36-M87 HydrophobicContact CB-SD 4.14Å; F40-M87 HydrophobicContact CD2-CE 4.15Å; F40-M87 HydrophobicContact CD2-SD 3.21Å; F40-M87 WeakPolarHBondContact CD2-SD 3.39Å; F40-M87 HydrophobicContact CE2-CE 3.93Å; F40-M87 HydrophobicContact CE2-SD 3.63Å; F40-M87 HydrophobicContact CG-SD 4.14Å; D85-M87 PolarHBondContact O-N 2.87Å; D85-M87 WeakPolarHBondContact OD1-CA 3.35Å; D85-M87 WeakPolarHBondContact OD1-CB 3.42Å; D85-M87 PolarHBondContact OD1-N 3.32Å; M87-F89 WeakPolarHBondContact O-CE2 3.28Å
88	Q	84.3	Confident	91.4	Very high	121 Å²	121	62.9 Å²	62.9	57%	0.565	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-14.9	-179.7	-57.7	-56.1	-30	0	0	113	D85 E90	D85-Q88 HydrophobicContact CB-CB 4.23Å; D85-Q88 PolarHBondContact O-N 2.94Å; D85-Q88 PolarHBondContact OD1-N 3.22Å; D85-Q88 WeakPolarHBondContact OD2-CG 2.91Å; Q88-E90 HydrophobicContact CB-CB 4.41Å; Q88-E90 HydrophobicContact CB-CG 4.23Å; Q88-E90 PolarHBondContact O-N 3.07Å
89	F	86.8	Confident	91.4	Very high	54 Å²	54	62.7 Å²	62.7	24%	0.237	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	32.7	-174.2	-51.8	-86	0	0	0	113.3	C15 F40 N44 F49 F84 D85 M87	C15-F89 HydrophobicContact CB-CE1 4.46Å; C15-F89 HydrophobicContact CB-CZ 4Å; F40-F89 HydrophobicContact CD1-CE1 4.49Å; F40-F89 AromaticContact CD1-CZ 3.98Å; F40-F89 HydrophobicContact CD1-CZ 3.98Å; F40-F89 HydrophobicContact CE1-CZ 4.07Å; N44-F89 WeakPolarHBondContact OD1-CE1 3.47Å; F49-F89 HydrophobicContact CD2-CD1 4.29Å; F49-F89 HydrophobicContact CE1-CB 4.27Å; F49-F89 HydrophobicContact CE1-CD1 4.23Å; F49-F89 AromaticContact CE2-CD1 3.64Å; F49-F89 HydrophobicContact CE2-CD1 3.64Å; F49-F89 HydrophobicContact CE2-CE1 4.16Å; F49-F89 HydrophobicContact CE2-CG 4.47Å; F49-F89 HydrophobicContact CZ-CB 3.91Å; F49-F89 AromaticContact CZ-CD1 3.62Å; F49-F89 HydrophobicContact CZ-CD1 3.62Å; F49-F89 HydrophobicContact CZ-CG 4.11Å; F84-F89 HydrophobicContact CZ-CB 4.31Å; F84-F89 HydrophobicContact CZ-CD1 4.41Å; D85-F89 VanDerWaalsContact O-CA 3.32Å; D85-F89 WeakPolarHBondContact O-CA 3.43Å; D85-F89 PolarHBondContact O-N 3.37Å; M87-F89 WeakPolarHBondContact O-CE2 3.28Å
90	E	89	Confident	91.3	Very high	122 Å²	122	59.5 Å²	59.5	57%	0.57	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	147.3	-177.8	-69.5	-176.5	170.7	0	0	111.5	F84 D85 Q88	F84-E90 WeakPolarHBondContact CA-O 3.42Å; F84-E90 VanDerWaalsContact CD2-O 3.29Å; F84-E90 WeakPolarHBondContact CD2-O 3.27Å; D85-E90 PolarHBondContact N-O 3.2Å; Q88-E90 HydrophobicContact CB-CB 4.41Å; Q88-E90 HydrophobicContact CB-CG 4.23Å; Q88-E90 PolarHBondContact O-N 3.07Å
91	S	92.3	Very high	91	Very high	32 Å²	32	60.8 Å²	60.8	22%	0.224	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.4	173	66.9	0	0	0	0	110.8	R83 W94	R83-S91 CarbonylContact O-C 3.55Å; R83-S91 VanDerWaalsContact O-CA 3.28Å; R83-S91 WeakPolarHBondContact O-CA 3.48Å; S91-W94 WeakPolarHBondContact OG-CZ2 3.41Å; S91-W94 PolarHBondContact OG-NE1 3.21Å
92	T	93.3	Very high	90.8	Very high	76 Å²	76	62.3 Å²	62.3	47%	0.466	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	171.2	-178.6	54	0	0	0	0	110.1	R83 W94	R83-T92 PolarHBondContact N-O 3.04Å; R83-T92 PolarHBondContact O-N 3.24Å; T92-W94 PolarHBondContact O-N 2.71Å
93	D	92.4	Very high	90.7	Very high	89 Å²	89	64.8 Å²	64.8	48%	0.476	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.1	49.3	171.5	-165.9	24.1	0	0	0	113.3	R72 R83 S95	R72-D93 IonicContact CZ-OD2 3.5Å; R72-D93 PolarHBondContact NH1-O 3.41Å; R72-D93 IonicContact NH1-OD2 3.68Å; R72-D93 IonicContact NH2-OD2 2.8Å; R72-D93 PolarHBondContact NH2-OD2 2.77Å; R83-D93 HydrophobicContact CB-CB 4.41Å; R83-D93 HydrophobicContact CG-CB 4.28Å; R83-D93 IonicContact NE-OD2 3.16Å; D93-S95 PolarHBondContact O-N 2.86Å
94	W	93.7	Very high	90.6	Very high	67 Å²	67	65.9 Å²	65.9	25%	0.254	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	116.7	175.1	-74.4	91	0	0	0	109.9	V51 I53 A60 H75 M80 S81 F82 S91 T92	V51-W94 HydrophobicContact CG1-CZ2 4.36Å; I53-W94 HydrophobicContact CB-CH2 4.38Å; I53-W94 HydrophobicContact CB-CZ2 4.35Å; I53-W94 HydrophobicContact CD1-CH2 3.3Å; I53-W94 HydrophobicContact CD1-CZ2 4.08Å; I53-W94 HydrophobicContact CD1-CZ3 3.66Å; I53-W94 HydrophobicContact CG1-CH2 3.42Å; I53-W94 VanDerWaalsContact CG1-CH2 3.42Å; I53-W94 HydrophobicContact CG1-CZ2 3.67Å; I53-W94 HydrophobicContact CG1-CZ3 4.18Å; I53-W94 HydrophobicContact CG2-CD2 4.44Å; I53-W94 HydrophobicContact CG2-CE3 4.47Å; I53-W94 HydrophobicContact CG2-CH2 4.15Å; I53-W94 HydrophobicContact CG2-CZ2 4.07Å; I53-W94 HydrophobicContact CG2-CZ3 4.34Å; A60-W94 HydrophobicContact CB-CH2 4.34Å; H75-W94 HydrophobicContact CB-CZ3 4.31Å; M80-W94 HydrophobicContact CB-CE3 3.88Å; M80-W94 HydrophobicContact CB-CZ3 4.21Å; M80-W94 HydrophobicContact CE-CB 3.81Å; M80-W94 HydrophobicContact CE-CE3 4.35Å; M80-W94 HydrophobicContact SD-CE3 4.15Å; S81-W94 VanDerWaalsContact O-CA 3.3Å; S81-W94 WeakPolarHBondContact O-CA 3.43Å; F82-W94 HydrophobicContact CB-CD2 3.56Å; F82-W94 HydrophobicContact CB-CE3 3.76Å; F82-W94 HydrophobicContact CB-CG 4.13Å; F82-W94 HydrophobicContact CB-CH2 3.84Å; F82-W94 HydrophobicContact CB-CZ2 3.68Å; F82-W94 HydrophobicContact CB-CZ3 3.9Å; F82-W94 HydrophobicContact CD1-CE3 4.18Å; F82-W94 AromaticContact CD1-CH2 3.25Å; F82-W94 HydrophobicContact CD1-CH2 3.25Å; F82-W94 AromaticContact CD1-CZ2 3.86Å; F82-W94 HydrophobicContact CD1-CZ2 3.86Å; F82-W94 AromaticContact CD1-CZ3 3.46Å; F82-W94 HydrophobicContact CD1-CZ3 3.46Å; F82-W94 VanDerWaalsContact CD1-CZ3 3.46Å; F82-W94 HydrophobicContact CD2-CH2 4.26Å; F82-W94 HydrophobicContact CD2-CZ2 4.07Å; F82-W94 AromaticContact CE1-CH2 3.77Å; F82-W94 HydrophobicContact CE1-CH2 3.77Å; F82-W94 HydrophobicContact CE1-CZ2 4.49Å; F82-W94 HydrophobicContact CE1-CZ3 4.23Å; F82-W94 HydrophobicContact CG-CD2 4.36Å; F82-W94 HydrophobicContact CG-CE3 4.31Å; F82-W94 AromaticContact CG-CH2 3.53Å; F82-W94 HydrophobicContact CG-CH2 3.53Å; F82-W94 AromaticContact CG-CZ2 3.61Å; F82-W94 HydrophobicContact CG-CZ2 3.61Å; F82-W94 AromaticContact CG-CZ3 3.92Å; F82-W94 HydrophobicContact CG-CZ3 3.92Å; F82-W94 HydrophobicContact CZ-CH2 4.44Å; S91-W94 WeakPolarHBondContact OG-CZ2 3.41Å; S91-W94 PolarHBondContact OG-NE1 3.21Å; T92-W94 PolarHBondContact O-N 2.71Å
95	S	93.6	Very high	90.6	Very high	37 Å²	37	65.9 Å²	65.9	26%	0.259	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	149.2	-179.3	73.1	0	0	0	0	111	M80 S81 D93 Y97	M80-S95 CarbonylContact C-O 3.47Å; M80-S95 VanDerWaalsContact CA-O 3.26Å; M80-S95 WeakPolarHBondContact CA-O 3.31Å; S81-S95 PolarHBondContact N-O 3.07Å; S81-S95 PolarHBondContact O-N 3.48Å; S81-S95 PolarHBondContact OG-OG 2.84Å; D93-S95 PolarHBondContact O-N 2.86Å; S95-Y97 PolarHBondContact O-N 3.06Å
96	P	93.8	Very high	90.7	Very high	116 Å²	116	63.1 Å²	63.1	75%	0.753	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.1	140.6	168.1	-25	34.9	0	0	0	111
97	Y	93.4	Very high	91	Very high	61 Å²	61	67 Å²	67	24%	0.239	37%	0.368	C	S	.	.			trans	-138.8	136.7	176.9	-177.9	-93.6	0	0	0	109.8	I68 Y74 R79 S95 D99 I102	I68-Y97 HydrophobicContact CD1-CD1 3.94Å; I68-Y97 HydrophobicContact CD1-CD2 3.84Å; I68-Y97 HydrophobicContact CD1-CE1 3.82Å; I68-Y97 HydrophobicContact CD1-CE2 3.72Å; I68-Y97 HydrophobicContact CD1-CG 3.94Å; I68-Y97 HydrophobicContact CG1-CE1 4.18Å; I68-Y97 HydrophobicContact CG1-CE2 4.39Å; I68-Y97 HydrophobicContact CG2-CE2 3.99Å; Y74-Y97 AromaticContact CD2-CD1 3.45Å; Y74-Y97 HydrophobicContact CD2-CD1 3.45Å; Y74-Y97 VanDerWaalsContact CD2-CD1 3.45Å; Y74-Y97 HydrophobicContact CD2-CE1 4.31Å; Y74-Y97 HydrophobicContact CD2-CG 4.13Å; Y74-Y97 AromaticContact CE2-CD1 3.73Å; Y74-Y97 HydrophobicContact CE2-CD1 3.73Å; Y74-Y97 HydrophobicContact CE2-CG 4.46Å; Y74-Y97 HydrophobicContact CG-CD1 4.15Å; R79-Y97 PolarHBondContact O-N 3.01Å; S95-Y97 PolarHBondContact O-N 3.06Å; Y97-D99 HydrophobicContact CE1-CB 3.95Å; Y97-I102 HydrophobicContact CE1-CD1 4.03Å
98	S	90.2	Very high	91.5	Very high	83 Å²	83	67.4 Å²	67.4	58%	0.58	37%	0.369	S	S	*	.			trans	-141.8	140.7	178	154.4	0	0	0	0	108.1	D103	S98-D103 PolarHBondContact OG-OD2 3.34Å
99	D	90	Very high	92.1	Very high	52 Å²	52	61.9 Å²	61.9	28%	0.278	34%	0.343	S	S	.	.			trans	-140.9	133	175.5	176.4	-77.4	0	0	0	107.1	Y97 N101 I102 D103	Y97-D99 HydrophobicContact CE1-CB 3.95Å; D99-N101 PolarHBondContact O-N 2.56Å; D99-N101 VanDerWaalsContact O-N 3.13Å; D99-N101 WeakPolarHBondContact OD1-CA 3.48Å; D99-N101 VanDerWaalsContact OD1-CB 3.27Å; D99-N101 WeakPolarHBondContact OD1-CB 3.42Å; D99-N101 PolarHBondContact OD1-N 2.76Å; D99-N101 PolarHBondContact OD1-ND2 3.04Å; D99-I102 HydrophobicContact CB-CB 4.13Å; D99-I102 HydrophobicContact CB-CD1 3.93Å; D99-I102 HydrophobicContact CB-CG1 3.95Å; D99-I102 PolarHBondContact O-N 2.76Å; D99-I102 PolarHBondContact OD1-N 2.65Å; D99-D103 WeakPolarHBondContact O-CB 3.43Å; D99-D103 VanDerWaalsContact O-CG 3.3Å; D99-D103 PolarHBondContact O-N 2.98Å
100	A	89.7	Confident	92.5	Very high	64 Å²	64	61.7 Å²	61.7	53%	0.529	35%	0.348	S	S	.	.	H	α-helix	trans	-58.3	-32.1	-173.5	0	0	0	0	0	113.3	Q104	A100-Q104 WeakPolarHBondContact O-CG 3.48Å; A100-Q104 PolarHBondContact O-N 2.68Å
101	N	87.4	Confident	92.8	Very high	78 Å²	78	57.9 Å²	57.9	42%	0.417	34%	0.338	S	S	.	.	H	α-helix	trans	-74.6	-39.1	177.6	-59.5	-65.1	0	0	0	111.6	D99	D99-N101 PolarHBondContact O-N 2.56Å; D99-N101 VanDerWaalsContact O-N 3.13Å; D99-N101 WeakPolarHBondContact OD1-CA 3.48Å; D99-N101 VanDerWaalsContact OD1-CB 3.27Å; D99-N101 WeakPolarHBondContact OD1-CB 3.42Å; D99-N101 PolarHBondContact OD1-N 2.76Å; D99-N101 PolarHBondContact OD1-ND2 3.04Å
102	I	90.2	Very high	93	Very high	35 Å²	35	56.3 Å²	56.3	18%	0.179	33%	0.327	C	S	.	.	H	α-helix	trans	-66.2	-46.2	176.7	-63.8	-178.2	0	0	0	109.9	Y74 Y97 D99 Q104 L105 E106	Y74-I102 HydrophobicContact CD1-CD1 3.96Å; Y74-I102 HydrophobicContact CD1-CG2 4.44Å; Y74-I102 HydrophobicContact CE1-CD1 4.02Å; Y74-I102 HydrophobicContact CE1-CG2 3.53Å; Y97-I102 HydrophobicContact CE1-CD1 4.03Å; D99-I102 HydrophobicContact CB-CB 4.13Å; D99-I102 HydrophobicContact CB-CD1 3.93Å; D99-I102 HydrophobicContact CB-CG1 3.95Å; D99-I102 PolarHBondContact O-N 2.76Å; D99-I102 PolarHBondContact OD1-N 2.65Å; I102-Q104 VanDerWaalsContact C-N 3.29Å; I102-Q104 PolarHBondContact O-N 3.22Å; I102-L105 PolarHBondContact O-N 2.64Å; I102-L105 VanDerWaalsContact O-N 3.08Å; I102-E106 PolarHBondContact O-N 2.88Å
103	D	91.8	Very high	93.2	Very high	53 Å²	53	53.3 Å²	53.3	28%	0.283	31%	0.308	S	S	.	.	H	α-helix	trans	-64.4	-33.5	-176.7	-68.9	-26.1	0	0	0	112.4	S98 D99 L105 E106	S98-D103 PolarHBondContact OG-OD2 3.34Å; D99-D103 WeakPolarHBondContact O-CB 3.43Å; D99-D103 VanDerWaalsContact O-CG 3.3Å; D99-D103 PolarHBondContact O-N 2.98Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 2.89Å; D103-E106 WeakPolarHBondContact O-CB 3.3Å; D103-E106 PolarHBondContact O-N 3Å
104	Q	93.1	Very high	93.3	Very high	117 Å²	117	52 Å²	52	55%	0.547	31%	0.309	S	S	.	.	H	α-helix	trans	-64.3	-36.2	173.6	-77.1	170.3	18.4	0	0	113.1	A100 I102	A100-Q104 WeakPolarHBondContact O-CG 3.48Å; A100-Q104 PolarHBondContact O-N 2.68Å; I102-Q104 VanDerWaalsContact C-N 3.29Å; I102-Q104 PolarHBondContact O-N 3.22Å
105	L	94	Very high	93.4	Very high	3 Å²	3	51 Å²	51	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-87.3	-12.8	-178.1	-62.6	177.2	0	0	0	113	I102 D103 K108 R109 L134 R135 E141 F143	I102-L105 PolarHBondContact O-N 2.64Å; I102-L105 VanDerWaalsContact O-N 3.08Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 2.89Å; L105-K108 PolarHBondContact O-N 3.22Å; L105-R109 WeakPolarHBondContact O-CB 2.95Å; L105-R109 PolarHBondContact O-N 3.08Å; L105-L134 WeakPolarHBondContact CD1-O 3.42Å; L105-R135 HydrophobicContact CD1-CG 4.35Å; L105-E141 HydrophobicContact CD2-CB 4.03Å; L105-E141 HydrophobicContact CD2-CG 3.67Å; L105-F143 HydrophobicContact CB-CE1 4.38Å; L105-F143 HydrophobicContact CD2-CZ 4.29Å
106	E	94.4	Very high	93.6	Very high	13 Å²	13	49.2 Å²	49.2	6%	0.061	30%	0.297	C	S	.	.	H	α-helix	trans	-55.6	-43.6	-172.2	-176.7	55	-154.1	0	0	114.2	I102 D103 K108 R109 S110	I102-E106 PolarHBondContact O-N 2.88Å; D103-E106 WeakPolarHBondContact O-CB 3.3Å; D103-E106 PolarHBondContact O-N 3Å; E106-K108 VanDerWaalsContact C-N 3.33Å; E106-K108 PolarHBondContact O-N 3.33Å; E106-R109 VanDerWaalsContact CD-NE 3.29Å; E106-R109 PolarHBondContact O-N 3.34Å; E106-R109 IonicContact OE1-CZ 3.29Å; E106-R109 IonicContact OE1-NE 2.76Å; E106-R109 PolarHBondContact OE1-NE 2.88Å; E106-R109 IonicContact OE1-NH2 2.76Å; E106-R109 PolarHBondContact OE1-NH2 3.17Å; E106-R109 WeakPolarHBondContact OE2-CD 3.02Å; E106-R109 IonicContact OE2-CZ 3.32Å; E106-R109 IonicContact OE2-NE 2.84Å; E106-R109 PolarHBondContact OE2-NE 3.39Å; E106-R109 IonicContact OE2-NH2 3.01Å; E106-S110 WeakPolarHBondContact O-CB 3.26Å; E106-S110 PolarHBondContact O-N 3.03Å; E106-S110 PolarHBondContact O-OG 3.29Å; E106-S110 VanDerWaalsContact O-OG 3.12Å
107	P	94.2	Very high	93.7	Very high	90 Å²	90	45 Å²	45	58%	0.584	27%	0.268	S	S	*	.	H	α-helix	trans	-61.1	-39.7	179.4	-24.2	35	0	0	0	113.4	S110 A111	P107-S110 PolarHBondContact O-OG 3.41Å; P107-S110 VanDerWaalsContact O-OG 3.04Å; P107-A111 WeakPolarHBondContact O-CB 3.43Å; P107-A111 PolarHBondContact O-N 2.63Å
108	K	94.2	Very high	93.8	Very high	52 Å²	52	44.8 Å²	44.8	23%	0.226	28%	0.28	C	S	.	.	H	α-helix	trans	-71.8	-42.3	176.8	-76.2	-174.1	-175.6	179.5	0	111.1	L105 E106 A111 L112 E141 F143 D211 W215	L105-K108 PolarHBondContact O-N 3.22Å; E106-K108 VanDerWaalsContact C-N 3.33Å; E106-K108 PolarHBondContact O-N 3.33Å; K108-A111 PolarHBondContact O-N 3.39Å; K108-L112 PolarHBondContact O-N 2.99Å; K108-E141 WeakPolarHBondContact CD-OE2 3.37Å; K108-E141 IonicContact NZ-OE1 3.77Å; K108-E141 PolarHBondContact NZ-OE1 3.35Å; K108-E141 IonicContact NZ-OE2 3.78Å; K108-E141 PolarHBondContact NZ-OE2 3.43Å; K108-F143 HydrophobicContact CB-CE1 3.68Å; K108-F143 HydrophobicContact CB-CE2 4.44Å; K108-F143 HydrophobicContact CB-CZ 3.45Å; K108-F143 VanDerWaalsContact CB-CZ 3.45Å; K108-F143 HydrophobicContact CD-CE2 4.41Å; K108-F143 HydrophobicContact CD-CZ 3.9Å; K108-F143 HydrophobicContact CG-CZ 4.34Å; K108-D211 VanDerWaalsContact CE-OD2 3.28Å; K108-D211 WeakPolarHBondContact CE-OD2 3.07Å; K108-W215 HydrophobicContact CB-CZ2 4.03Å
109	R	95.8	Very high	94.1	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.019	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-45.6	177.9	-173.6	-140.7	68.5	74.4	4.2	111.5	L105 E106 A111 L112 E113 V131 F143	L105-R109 WeakPolarHBondContact O-CB 2.95Å; L105-R109 PolarHBondContact O-N 3.08Å; E106-R109 VanDerWaalsContact CD-NE 3.29Å; E106-R109 PolarHBondContact O-N 3.34Å; E106-R109 IonicContact OE1-CZ 3.29Å; E106-R109 IonicContact OE1-NE 2.76Å; E106-R109 PolarHBondContact OE1-NE 2.88Å; E106-R109 IonicContact OE1-NH2 2.76Å; E106-R109 PolarHBondContact OE1-NH2 3.17Å; E106-R109 WeakPolarHBondContact OE2-CD 3.02Å; E106-R109 IonicContact OE2-CZ 3.32Å; E106-R109 IonicContact OE2-NE 2.84Å; E106-R109 PolarHBondContact OE2-NE 3.39Å; E106-R109 IonicContact OE2-NH2 3.01Å; R109-A111 VanDerWaalsContact C-N 3.35Å; R109-L112 PolarHBondContact O-N 2.76Å; R109-E113 IonicContact CZ-OE2 3.57Å; R109-E113 VanDerWaalsContact CZ-OE2 3.27Å; R109-E113 IonicContact NH1-OE1 3.66Å; R109-E113 PolarHBondContact NH1-OE1 2.8Å; R109-E113 IonicContact NH1-OE2 2.63Å; R109-E113 PolarHBondContact NH1-OE2 2.82Å; R109-E113 IonicContact NH2-OE2 3.76Å; R109-E113 PolarHBondContact NH2-OE2 3.24Å; R109-E113 WeakPolarHBondContact O-CB 3.34Å; R109-E113 PolarHBondContact O-N 2.86Å; R109-V131 VanDerWaalsContact CD-O 3.31Å; R109-V131 WeakPolarHBondContact CD-O 3.42Å; R109-V131 HydrophobicContact CG-CB 4.31Å; R109-V131 HydrophobicContact CG-CG1 3.82Å; R109-V131 PolarHBondContact NH1-O 3.41Å; R109-F143 HydrophobicContact CB-CD1 4.16Å; R109-F143 HydrophobicContact CB-CE1 4.03Å
110	S	95.5	Very high	94.4	Very high	50 Å²	50	39.6 Å²	39.6	35%	0.35	25%	0.245	S	C	.	.	H	α-helix	trans	-66	-37.2	179	63.7	0	0	0	0	112.2	E106 P107 E113 A114	E106-S110 WeakPolarHBondContact O-CB 3.26Å; E106-S110 PolarHBondContact O-N 3.03Å; E106-S110 PolarHBondContact O-OG 3.29Å; E106-S110 VanDerWaalsContact O-OG 3.12Å; P107-S110 PolarHBondContact O-OG 3.41Å; P107-S110 VanDerWaalsContact O-OG 3.04Å; S110-E113 PolarHBondContact O-N 2.87Å; S110-A114 PolarHBondContact O-N 3.27Å
111	A	96.2	Very high	94.6	Very high	42 Å²	42	44.6 Å²	44.6	35%	0.347	26%	0.257	S	S	.	.	H	α-helix	trans	-63.4	-43.6	174.6	0	0	0	0	0	111.7	P107 K108 R109 A114	P107-A111 WeakPolarHBondContact O-CB 3.43Å; P107-A111 PolarHBondContact O-N 2.63Å; K108-A111 PolarHBondContact O-N 3.39Å; R109-A111 VanDerWaalsContact C-N 3.35Å; A111-A114 PolarHBondContact O-N 3.46Å
112	L	96.5	Very high	95	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.3	-43	173.3	176.2	56.4	0	0	0	111.9	K108 R109 A114 V115 I116 V131 F143 V145 W215 V218	K108-L112 PolarHBondContact O-N 2.99Å; R109-L112 PolarHBondContact O-N 2.76Å; L112-A114 VanDerWaalsContact C-N 3.29Å; L112-A114 PolarHBondContact O-N 3.25Å; L112-V115 PolarHBondContact O-N 3.49Å; L112-I116 HydrophobicContact CD1-CD1 4.38Å; L112-I116 HydrophobicContact CD1-CG1 3.86Å; L112-I116 HydrophobicContact CG-CG1 4.26Å; L112-I116 WeakPolarHBondContact O-CG1 3.45Å; L112-I116 PolarHBondContact O-N 2.95Å; L112-V131 HydrophobicContact CB-CG1 4.31Å; L112-V131 HydrophobicContact CD2-CG1 3.71Å; L112-V131 HydrophobicContact CG-CG1 3.96Å; L112-V131 HydrophobicContact CG-CG2 4.49Å; L112-F143 HydrophobicContact CD2-CB 3.74Å; L112-F143 HydrophobicContact CD2-CG 4.37Å; L112-V145 HydrophobicContact CD2-CG2 3.84Å; L112-V145 HydrophobicContact CG-CG2 4.28Å; L112-W215 HydrophobicContact CB-CD2 3.8Å; L112-W215 HydrophobicContact CB-CE3 3.94Å; L112-W215 HydrophobicContact CB-CG 4.2Å; L112-W215 HydrophobicContact CB-CZ2 4.5Å; L112-W215 HydrophobicContact CB-CZ3 4.33Å; L112-W215 HydrophobicContact CD1-CB 4.37Å; L112-W215 HydrophobicContact CD1-CD2 4.11Å; L112-W215 HydrophobicContact CD1-CE3 3.66Å; L112-W215 HydrophobicContact CD1-CG 4.42Å; L112-W215 HydrophobicContact CD1-CZ3 4.34Å; L112-W215 HydrophobicContact CD2-CE3 3.94Å; L112-W215 HydrophobicContact CD2-CH2 4.37Å; L112-W215 HydrophobicContact CD2-CZ3 3.79Å; L112-W215 HydrophobicContact CG-CD2 4.38Å; L112-W215 HydrophobicContact CG-CE3 4.04Å; L112-W215 HydrophobicContact CG-CZ3 4.38Å; L112-V218 HydrophobicContact CD1-CG1 4.23Å
113	E	96.3	Very high	95.3	Very high	13 Å²	13	48.5 Å²	48.5	6%	0.061	29%	0.285	C	S	.	.	H	α-helix	trans	-58.1	-39.9	178.5	-175.5	169.1	-129.3	0	0	112.2	R77 R109 S110 V115 I116 D117 V131	R77-E113 IonicContact CZ-OE1 2.68Å; R77-E113 IonicContact NE-OE1 3.07Å; R77-E113 PolarHBondContact NE-OE1 3.28Å; R77-E113 VanDerWaalsContact NE-OE1 3.07Å; R77-E113 IonicContact NE-OE2 3.04Å; R77-E113 IonicContact NH2-OE1 2.65Å; R77-E113 PolarHBondContact NH2-OE1 3.38Å; R109-E113 IonicContact CZ-OE2 3.57Å; R109-E113 VanDerWaalsContact CZ-OE2 3.27Å; R109-E113 IonicContact NH1-OE1 3.66Å; R109-E113 PolarHBondContact NH1-OE1 2.8Å; R109-E113 IonicContact NH1-OE2 2.63Å; R109-E113 PolarHBondContact NH1-OE2 2.82Å; R109-E113 IonicContact NH2-OE2 3.76Å; R109-E113 PolarHBondContact NH2-OE2 3.24Å; R109-E113 WeakPolarHBondContact O-CB 3.34Å; R109-E113 PolarHBondContact O-N 2.86Å; S110-E113 PolarHBondContact O-N 2.87Å; E113-V115 PolarHBondContact O-N 3.18Å; E113-I116 PolarHBondContact O-N 2.88Å; E113-D117 WeakPolarHBondContact O-CB 3.48Å; E113-D117 PolarHBondContact O-N 3.19Å; E113-V131 HydrophobicContact CB-CB 4.14Å; E113-V131 HydrophobicContact CB-CG2 3.94Å; E113-V131 HydrophobicContact CG-CG2 4.28Å
114	A	95.6	Very high	95.4	Very high	61 Å²	61	47 Å²	47	50%	0.504	28%	0.276	S	S	.	.	H	α-helix	trans	-62.4	-42.2	177.7	0	0	0	0	0	113	S110 A111 L112 A118	S110-A114 PolarHBondContact O-N 3.27Å; A111-A114 PolarHBondContact O-N 3.46Å; L112-A114 VanDerWaalsContact C-N 3.29Å; L112-A114 PolarHBondContact O-N 3.25Å; A114-A118 PolarHBondContact O-N 3.39Å
115	V	96.5	Very high	95.2	Very high	45 Å²	45	51.6 Å²	51.6	27%	0.273	29%	0.294	S	S	.	.	H	α-helix	trans	-72.4	-36.5	178.9	-167.4	0	0	0	0	111.1	L112 E113 Y119 W215 V219	L112-V115 PolarHBondContact O-N 3.49Å; E113-V115 PolarHBondContact O-N 3.18Å; V115-Y119 PolarHBondContact O-N 2.92Å; V115-W215 HydrophobicContact CG2-CB 4.19Å; V115-V219 HydrophobicContact CB-CG2 3.84Å; V115-V219 HydrophobicContact CG1-CB 3.79Å; V115-V219 HydrophobicContact CG1-CG1 4.11Å; V115-V219 HydrophobicContact CG1-CG2 3.35Å
116	I	97.1	Very high	94.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.2	-41.5	175	-68.4	-65.9	0	0	0	111.2	L112 E113 A118 Y119 I120 A129 V131 V145 V219 I222	L112-I116 HydrophobicContact CD1-CD1 4.38Å; L112-I116 HydrophobicContact CD1-CG1 3.86Å; L112-I116 HydrophobicContact CG-CG1 4.26Å; L112-I116 WeakPolarHBondContact O-CG1 3.45Å; L112-I116 PolarHBondContact O-N 2.95Å; E113-I116 PolarHBondContact O-N 2.88Å; I116-A118 VanDerWaalsContact C-N 3.31Å; I116-A118 PolarHBondContact O-N 2.84Å; I116-Y119 WeakPolarHBondContact O-CA 3.35Å; I116-Y119 WeakPolarHBondContact O-CB 3.5Å; I116-Y119 PolarHBondContact O-N 3.36Å; I116-I120 HydrophobicContact CG2-CG1 4.13Å; I116-I120 WeakPolarHBondContact O-CG1 3.36Å; I116-I120 PolarHBondContact O-N 3.23Å; I116-A129 HydrophobicContact CG2-CB 3.64Å; I116-V131 HydrophobicContact CB-CG2 4.44Å; I116-V131 HydrophobicContact CG1-CG2 4.36Å; I116-V145 HydrophobicContact CD1-CG1 3.94Å; I116-V145 HydrophobicContact CD1-CG2 4.32Å; I116-V145 HydrophobicContact CG1-CG1 4.01Å; I116-V145 HydrophobicContact CG1-CG2 4.22Å; I116-V145 HydrophobicContact CG2-CG1 3.91Å; I116-V219 HydrophobicContact CD1-CG2 3.64Å; I116-V219 HydrophobicContact CG1-CG2 4.23Å; I116-I222 HydrophobicContact CD1-CD1 3.77Å
117	D	95.4	Very high	94.9	Very high	27 Å²	27	57.9 Å²	57.9	14%	0.144	33%	0.329	C	S	.	.	H	α-helix	trans	-57	-45.1	178.2	-85.9	-12.9	0	0	0	111.8	K58 R77 E113 Y119 I120 E121	K58-D117 IonicContact NZ-OD1 3.88Å; K58-D117 PolarHBondContact NZ-OD1 3.36Å; K58-D117 VanDerWaalsContact NZ-OD1 3.16Å; K58-D117 IonicContact NZ-OD2 2.66Å; K58-D117 PolarHBondContact NZ-OD2 3.28Å; R77-D117 IonicContact CZ-OD1 3.68Å; R77-D117 IonicContact CZ-OD2 3.16Å; R77-D117 VanDerWaalsContact CZ-OD2 3.29Å; R77-D117 IonicContact NH1-OD1 2.72Å; R77-D117 IonicContact NH1-OD2 2.7Å; R77-D117 PolarHBondContact NH1-OD2 3.08Å; R77-D117 VanDerWaalsContact NH2-CG 3.32Å; R77-D117 IonicContact NH2-OD1 2.65Å; R77-D117 PolarHBondContact NH2-OD1 2.84Å; R77-D117 IonicContact NH2-OD2 2.62Å; R77-D117 PolarHBondContact NH2-OD2 2.68Å; E113-D117 WeakPolarHBondContact O-CB 3.48Å; E113-D117 PolarHBondContact O-N 3.19Å; D117-Y119 VanDerWaalsContact C-N 3.33Å; D117-Y119 PolarHBondContact O-N 3.45Å; D117-I120 PolarHBondContact O-N 3.17Å; D117-E121 PolarHBondContact O-N 3.38Å; D117-E121 VanDerWaalsContact O-N 3.07Å
118	A	95.9	Very high	94.9	Very high	58 Å²	58	54.3 Å²	54.3	48%	0.479	31%	0.306	S	S	.	.	H	α-helix	trans	-63.4	-37.6	175.1	0	0	0	0	0	112.5	A114 I116 A122	A114-A118 PolarHBondContact O-N 3.39Å; I116-A118 VanDerWaalsContact C-N 3.31Å; I116-A118 PolarHBondContact O-N 2.84Å; A118-A122 PolarHBondContact O-N 3.38Å
119	Y	97	Very high	95	Very high	15 Å²	15	52 Å²	52	6%	0.059	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-44	174.9	173	-103.9	0	0	0	112.3	V115 I116 D117 A122 H123 F124 I147 V219 I222 E226	V115-Y119 PolarHBondContact O-N 2.92Å; I116-Y119 WeakPolarHBondContact O-CA 3.35Å; I116-Y119 WeakPolarHBondContact O-CB 3.5Å; I116-Y119 PolarHBondContact O-N 3.36Å; D117-Y119 VanDerWaalsContact C-N 3.33Å; D117-Y119 PolarHBondContact O-N 3.45Å; Y119-A122 PolarHBondContact O-N 3Å; Y119-H123 AromaticContact CD2-CE1 3.44Å; Y119-H123 VanDerWaalsContact CD2-CE1 3.44Å; Y119-H123 WeakPolarHBondContact CD2-CE1 3.44Å; Y119-H123 AromaticContact CD2-ND1 3.28Å; Y119-H123 VanDerWaalsContact CD2-ND1 3.28Å; Y119-H123 WeakPolarHBondContact CD2-ND1 3.46Å; Y119-H123 HydrophobicContact CE2-CB 4.44Å; Y119-H123 AromaticContact CE2-CD2 3.97Å; Y119-H123 AromaticContact CE2-CE1 3.37Å; Y119-H123 WeakPolarHBondContact CE2-CE1 3.38Å; Y119-H123 AromaticContact CE2-CG 3.67Å; Y119-H123 AromaticContact CE2-ND1 3.26Å; Y119-H123 VanDerWaalsContact CE2-ND1 3.26Å; Y119-H123 WeakPolarHBondContact CE2-ND1 3.28Å; Y119-H123 AromaticContact CE2-NE2 3.8Å; Y119-H123 PolarHBondContact O-N 2.85Å; Y119-H123 VanDerWaalsContact O-N 3.12Å; Y119-H123 PolarHBondContact O-ND1 3.48Å; Y119-F124 AromaticContact CE1-CE2 3.8Å; Y119-F124 HydrophobicContact CE1-CE2 3.8Å; Y119-I147 HydrophobicContact CD1-CD1 4.42Å; Y119-I147 HydrophobicContact CE1-CD1 4.18Å; Y119-V219 HydrophobicContact CD2-CG1 4.04Å; Y119-V219 HydrophobicContact CG-CG1 4.02Å; Y119-I222 HydrophobicContact CD1-CG2 4.41Å; Y119-I222 HydrophobicContact CE1-CG2 3.76Å; Y119-E226 PolarHBondContact OH-OE2 2.9Å
120	I	96.2	Very high	95	Very high	11 Å²	11	51.9 Å²	51.9	6%	0.056	30%	0.296	C	S	.	.	H	α-helix	trans	-62.9	-46.3	179.2	-66.2	-54.7	0	0	0	111.3	I116 D117 A122 H123 F124 A129 I147	I116-I120 HydrophobicContact CG2-CG1 4.13Å; I116-I120 WeakPolarHBondContact O-CG1 3.36Å; I116-I120 PolarHBondContact O-N 3.23Å; D117-I120 PolarHBondContact O-N 3.17Å; I120-A122 VanDerWaalsContact C-N 3.25Å; I120-A122 PolarHBondContact O-N 3.35Å; I120-H123 PolarHBondContact O-N 3.49Å; I120-F124 HydrophobicContact CD1-CD2 3.69Å; I120-F124 HydrophobicContact CD1-CE2 4.06Å; I120-F124 HydrophobicContact CG2-CB 4.31Å; I120-F124 PolarHBondContact O-N 3.41Å; I120-A129 HydrophobicContact CD1-CB 4.09Å; I120-A129 HydrophobicContact CG1-CB 3.73Å; I120-I147 HydrophobicContact CD1-CB 4.26Å; I120-I147 HydrophobicContact CD1-CD1 3.93Å; I120-I147 HydrophobicContact CD1-CG1 3.98Å; I120-I147 HydrophobicContact CD1-CG2 3.41Å; I120-I147 VanDerWaalsContact CD1-CG2 3.41Å
121	E	94.2	Very high	95.1	Very high	168 Å²	168	49.5 Å²	49.5	79%	0.785	28%	0.28	S	S	*	.	H	α-helix	trans	-59.2	-38.3	178.6	-172	174.2	-175.1	0	0	111.9	D117	D117-E121 PolarHBondContact O-N 3.38Å; D117-E121 VanDerWaalsContact O-N 3.07Å
122	A	95.9	Very high	95.1	Very high	78 Å²	78	47.7 Å²	47.7	65%	0.645	26%	0.264	S	S	*	.	H	α-helix	trans	-74.1	-30.4	179.1	0	0	0	0	0	114.4	A118 Y119 I120	A118-A122 PolarHBondContact O-N 3.38Å; Y119-A122 PolarHBondContact O-N 3Å; I120-A122 VanDerWaalsContact C-N 3.25Å; I120-A122 PolarHBondContact O-N 3.35Å
123	H	95.5	Very high	95.1	Very high	117 Å²	117	48.2 Å²	48.2	54%	0.542	27%	0.269	S	S	.	.	H	α-helix	trans	-114.6	-24.2	-168.7	-63	82.4	0	0	0	114.7	Y119 I120	Y119-H123 AromaticContact CD2-CE1 3.44Å; Y119-H123 VanDerWaalsContact CD2-CE1 3.44Å; Y119-H123 WeakPolarHBondContact CD2-CE1 3.44Å; Y119-H123 AromaticContact CD2-ND1 3.28Å; Y119-H123 VanDerWaalsContact CD2-ND1 3.28Å; Y119-H123 WeakPolarHBondContact CD2-ND1 3.46Å; Y119-H123 HydrophobicContact CE2-CB 4.44Å; Y119-H123 AromaticContact CE2-CD2 3.97Å; Y119-H123 AromaticContact CE2-CE1 3.37Å; Y119-H123 WeakPolarHBondContact CE2-CE1 3.38Å; Y119-H123 AromaticContact CE2-CG 3.67Å; Y119-H123 AromaticContact CE2-ND1 3.26Å; Y119-H123 VanDerWaalsContact CE2-ND1 3.26Å; Y119-H123 WeakPolarHBondContact CE2-ND1 3.28Å; Y119-H123 AromaticContact CE2-NE2 3.8Å; Y119-H123 PolarHBondContact O-N 2.85Å; Y119-H123 VanDerWaalsContact O-N 3.12Å; Y119-H123 PolarHBondContact O-ND1 3.48Å; I120-H123 PolarHBondContact O-N 3.49Å
124	F	93.7	Very high	95	Very high	21 Å²	21	50 Å²	50	9%	0.092	28%	0.279	C	S	.	.			trans	-129.2	97.1	-171.2	-61.9	-86.7	0	0	0	112.3	Y119 I120 Q126 G127 I147 N149 W162 E226	Y119-F124 AromaticContact CE1-CE2 3.8Å; Y119-F124 HydrophobicContact CE1-CE2 3.8Å; I120-F124 HydrophobicContact CD1-CD2 3.69Å; I120-F124 HydrophobicContact CD1-CE2 4.06Å; I120-F124 HydrophobicContact CG2-CB 4.31Å; I120-F124 PolarHBondContact O-N 3.41Å; F124-Q126 PolarHBondContact O-N 3.37Å; F124-G127 PolarHBondContact O-N 3.16Å; F124-I147 HydrophobicContact CD2-CG2 4.49Å; F124-I147 HydrophobicContact CE2-CG2 4.18Å; F124-I147 HydrophobicContact CZ-CG2 4.3Å; F124-N149 HydrophobicContact CB-CB 4.34Å; F124-N149 HydrophobicContact CD1-CB 3.5Å; F124-N149 VanDerWaalsContact CD1-CB 3.5Å; F124-N149 WeakPolarHBondContact CD1-ND2 3.32Å; F124-N149 HydrophobicContact CE1-CB 4.19Å; F124-N149 HydrophobicContact CG-CB 4.28Å; F124-W162 AromaticContact CE1-CD1 3.53Å; F124-W162 HydrophobicContact CE1-CD2 4.08Å; F124-W162 AromaticContact CE1-CE2 3.9Å; F124-W162 AromaticContact CE1-CG 3.88Å; F124-W162 HydrophobicContact CE1-CG 3.88Å; F124-W162 AromaticContact CE1-NE1 3.55Å; F124-W162 AromaticContact CZ-CD1 3.94Å; F124-W162 AromaticContact CZ-CE2 3.91Å; F124-W162 HydrophobicContact CZ-CZ2 4.36Å; F124-W162 AromaticContact CZ-NE1 3.5Å; F124-E226 WeakPolarHBondContact CZ-OE2 3.21Å
125	K	88.8	Confident	94.7	Very high	214 Å²	214	53 Å²	53	93%	0.93	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-32.9	-179.1	-63.7	-171.2	178.1	-171.2	0	115.8
126	Q	88.8	Confident	94.2	Very high	130 Å²	130	51.5 Å²	51.5	61%	0.607	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.1	21.1	-180	-64.6	-179.4	-26.1	0	0	110.7	F124 N149	F124-Q126 PolarHBondContact O-N 3.37Å; Q126-N149 PolarHBondContact O-OD1 3.38Å
127	G	92.7	Very high	93.7	Very high	19 Å²	19	59 Å²	59	20%	0.196	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	155.4	-179.3	0	0	0	0	0	112	F124 V148	F124-G127 PolarHBondContact O-N 3.16Å; G127-V148 CarbonylContact C-O 3.53Å; G127-V148 VanDerWaalsContact CA-O 3.24Å; G127-V148 WeakPolarHBondContact CA-O 3.48Å
128	S	94.7	Very high	93.4	Very high	15 Å²	15	61.6 Å²	61.6	11%	0.105	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	155.6	167.4	52	0	0	0	0	109	H61 V148	H61-S128 PolarHBondContact CE1-O 3.3Å; H61-S128 PolarHBondContact NE2-OG 3.07Å; S128-V148 PolarHBondContact N-O 3.27Å; S128-V148 PolarHBondContact O-N 3.46Å
129	A	96.4	Very high	93	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.033	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	149.6	175.9	0	0	0	0	0	111.4	I116 I120 C146 I147	I116-A129 HydrophobicContact CG2-CB 3.64Å; I120-A129 HydrophobicContact CD1-CB 4.09Å; I120-A129 HydrophobicContact CG1-CB 3.73Å; A129-C146 CarbonylContact C-O 3.54Å; A129-C146 WeakPolarHBondContact CA-O 3.21Å; A129-C146 WeakPolarHBondContact CB-O 3.46Å; A129-I147 HydrophobicContact CB-CG1 3.99Å
130	N	96.6	Very high	92.8	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	142.4	166.2	-71.3	125.9	0	0	0	110.3	P59 H61 Y132 C146	P59-N130 PolarHBondContact O-OD1 2.89Å; H61-N130 VanDerWaalsContact CB-OD1 3.27Å; H61-N130 WeakPolarHBondContact CB-OD1 3.44Å; H61-N130 PolarHBondContact CD2-OD1 3.03Å; H61-N130 PolarHBondContact N-OD1 2.88Å; N130-Y132 HydrophobicContact CB-CE1 4.17Å; N130-Y132 HydrophobicContact CB-CE2 3.99Å; N130-Y132 WeakPolarHBondContact CB-OH 3.26Å; N130-C146 PolarHBondContact N-O 2.82Å; N130-C146 PolarHBondContact O-N 2.94Å
131	V	97.4	Very high	92.7	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.006	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.3	178.4	-175.6	0	0	0	0	109	R109 L112 E113 I116 V144 V145	R109-V131 VanDerWaalsContact CD-O 3.31Å; R109-V131 WeakPolarHBondContact CD-O 3.42Å; R109-V131 HydrophobicContact CG-CB 4.31Å; R109-V131 HydrophobicContact CG-CG1 3.82Å; R109-V131 PolarHBondContact NH1-O 3.41Å; L112-V131 HydrophobicContact CB-CG1 4.31Å; L112-V131 HydrophobicContact CD2-CG1 3.71Å; L112-V131 HydrophobicContact CG-CG1 3.96Å; L112-V131 HydrophobicContact CG-CG2 4.49Å; E113-V131 HydrophobicContact CB-CB 4.14Å; E113-V131 HydrophobicContact CB-CG2 3.94Å; E113-V131 HydrophobicContact CG-CG2 4.28Å; I116-V131 HydrophobicContact CB-CG2 4.44Å; I116-V131 HydrophobicContact CG1-CG2 4.36Å; V131-V144 CarbonylContact C-O 3.45Å; V131-V144 WeakPolarHBondContact CA-O 3.35Å; V131-V145 HydrophobicContact CG1-CG2 4.34Å; V131-V145 HydrophobicContact CG2-CG1 4.26Å; V131-V145 HydrophobicContact CG2-CG2 4.12Å
132	Y	96.6	Very high	92.8	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.6	-179.5	-50.1	-74.7	0	0	0	110.1	H61 T63 Y65 N66 P76 N130 F143 V144 C146	H61-Y132 PolarHBondContact O-OH 3.49Å; T63-Y132 HydrophobicContact CG2-CE2 4.09Å; T63-Y132 WeakPolarHBondContact CG2-OH 3.03Å; Y65-Y132 HydrophobicContact CG-CD2 4.48Å; N66-Y132 HydrophobicContact CB-CD1 3.82Å; N66-Y132 HydrophobicContact CB-CE1 3.43Å; N66-Y132 VanDerWaalsContact CB-CE1 3.43Å; P76-Y132 HydrophobicContact CG-CD1 3.56Å; P76-Y132 HydrophobicContact CG-CE1 3.91Å; N130-Y132 HydrophobicContact CB-CE1 4.17Å; N130-Y132 HydrophobicContact CB-CE2 3.99Å; N130-Y132 WeakPolarHBondContact CB-OH 3.26Å; Y132-F143 CarbonylContact O-C 3.5Å; Y132-F143 VanDerWaalsContact O-CA 3.3Å; Y132-F143 WeakPolarHBondContact O-CA 3.23Å; Y132-V144 HydrophobicContact CD2-CB 4.42Å; Y132-V144 WeakPolarHBondContact CD2-O 3.45Å; Y132-V144 PolarHBondContact N-O 2.86Å; Y132-V144 PolarHBondContact O-N 2.7Å; Y132-C146 HydrophobicContact CE2-CB 4.22Å
133	G	95.4	Very high	92.8	Very high	10 Å²	10	55 Å²	55	10%	0.103	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.7	168.8	0	0	0	0	0	109.4
134	L	93.5	Very high	92.9	Very high	52 Å²	52	49.5 Å²	49.5	27%	0.272	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	153.8	-177.9	-60.5	173.4	0	0	0	109.6	Y65 L105 E142 V144	Y65-L134 HydrophobicContact CD1-CD1 3.93Å; L105-L134 WeakPolarHBondContact CD1-O 3.42Å; L134-E142 HydrophobicContact CB-CB 4.41Å; L134-E142 PolarHBondContact N-O 3.26Å; L134-E142 PolarHBondContact O-N 3.28Å; L134-E142 VanDerWaalsContact O-O 3.1Å; L134-V144 HydrophobicContact CD1-CG2 3.8Å
135	R	90.2	Very high	93.1	Very high	123 Å²	123	48.5 Å²	48.5	46%	0.464	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.6	163.7	-74.2	-168.6	177.4	-138.5	7.5	109.1	L105 K140	L105-R135 HydrophobicContact CD1-CG 4.35Å; R135-K140 WeakPolarHBondContact CA-O 3.28Å
136	S	86.4	Confident	93.5	Very high	14 Å²	14	38.3 Å²	38.3	10%	0.098	21%	0.21	C	C	.	.			trans	-64.8	163.3	172.4	171.3	0	0	0	0	110.8	D138 G139 K140	S136-D138 WeakPolarHBondContact CB-OD1 3.48Å; S136-D138 PolarHBondContact O-N 2.84Å; S136-D138 VanDerWaalsContact O-N 3.16Å; S136-D138 PolarHBondContact OG-OD1 3.47Å; S136-G139 PolarHBondContact O-N 2.94Å; S136-K140 PolarHBondContact N-O 2.66Å
137	T	86.3	Confident	93.9	Very high	158 Å²	158	32.1 Å²	32.1	97%	0.969	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.6	175.5	53.3	0	0	0	0	113.3	G139	T137-G139 VanDerWaalsContact C-N 3.33Å
138	D	89.2	Confident	94	Very high	80 Å²	80	31.3 Å²	31.3	43%	0.428	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	7.7	174.2	66.8	-15.1	0	0	0	113.5	S136 K140	S136-D138 WeakPolarHBondContact CB-OD1 3.48Å; S136-D138 PolarHBondContact O-N 2.84Å; S136-D138 VanDerWaalsContact O-N 3.16Å; S136-D138 PolarHBondContact OG-OD1 3.47Å; D138-K140 VanDerWaalsContact C-N 3.3Å; D138-K140 PolarHBondContact O-N 2.85Å; D138-K140 PolarHBondContact OD1-N 3.13Å; D138-K140 VanDerWaalsContact OD2-CD 3.26Å; D138-K140 WeakPolarHBondContact OD2-CD 3.13Å; D138-K140 VanDerWaalsContact OD2-CE 3.3Å; D138-K140 WeakPolarHBondContact OD2-CE 3.39Å; D138-K140 IonicContact OD2-NZ 2.64Å; D138-K140 PolarHBondContact OD2-NZ 2.93Å
139	G	88.3	Confident	94	Very high	41 Å²	41	32.3 Å²	32.3	42%	0.423	18%	0.177	S	C	.	.	S	Bend	trans	81.6	0.3	177.1	0	0	0	0	0	115.2	S136 T137	S136-G139 PolarHBondContact O-N 2.94Å; T137-G139 VanDerWaalsContact C-N 3.33Å
140	K	92.2	Very high	93.8	Very high	67 Å²	67	33.3 Å²	33.3	29%	0.291	18%	0.181	S	C	.	.			trans	-76	154.5	178.2	-66.4	-179.6	-174	149.4	0	112.6	R135 S136 D138 E171	R135-K140 WeakPolarHBondContact CA-O 3.28Å; S136-K140 PolarHBondContact N-O 2.66Å; D138-K140 VanDerWaalsContact C-N 3.3Å; D138-K140 PolarHBondContact O-N 2.85Å; D138-K140 PolarHBondContact OD1-N 3.13Å; D138-K140 VanDerWaalsContact OD2-CD 3.26Å; D138-K140 WeakPolarHBondContact OD2-CD 3.13Å; D138-K140 VanDerWaalsContact OD2-CE 3.3Å; D138-K140 WeakPolarHBondContact OD2-CE 3.39Å; D138-K140 IonicContact OD2-NZ 2.64Å; D138-K140 PolarHBondContact OD2-NZ 2.93Å; K140-E171 WeakPolarHBondContact CE-OE2 3.35Å; K140-E171 IonicContact NZ-OE2 2.71Å; K140-E171 PolarHBondContact NZ-OE2 3.01Å
141	E	94	Very high	93.5	Very high	59 Å²	59	39.2 Å²	39.2	28%	0.276	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	126.9	175.6	-53.5	-176.1	175.2	0	0	110.6	L105 K108 F143 I170	L105-E141 HydrophobicContact CD2-CB 4.03Å; L105-E141 HydrophobicContact CD2-CG 3.67Å; K108-E141 WeakPolarHBondContact CD-OE2 3.37Å; K108-E141 IonicContact NZ-OE1 3.77Å; K108-E141 PolarHBondContact NZ-OE1 3.35Å; K108-E141 IonicContact NZ-OE2 3.78Å; K108-E141 PolarHBondContact NZ-OE2 3.43Å; E141-F143 HydrophobicContact CB-CE2 4.07Å; E141-I170 HydrophobicContact CB-CD1 4.31Å; E141-I170 PolarHBondContact O-N 3.01Å
142	E	95.3	Very high	93	Very high	26 Å²	26	41.5 Å²	41.5	12%	0.121	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.3	174.3	-68.6	-168.7	159	0	0	111.3	L134 V168 R169	L134-E142 HydrophobicContact CB-CB 4.41Å; L134-E142 PolarHBondContact N-O 3.26Å; L134-E142 PolarHBondContact O-N 3.28Å; L134-E142 VanDerWaalsContact O-O 3.1Å; E142-V168 CarbonylContact C-O 3.57Å; E142-V168 WeakPolarHBondContact CA-O 3.11Å; E142-R169 HydrophobicContact CG-CB 4.13Å; E142-R169 HydrophobicContact CG-CG 4.08Å; E142-R169 IonicContact OE1-CZ 2.67Å; E142-R169 IonicContact OE1-NE 2.91Å; E142-R169 PolarHBondContact OE1-NE 3.03Å; E142-R169 IonicContact OE1-NH2 3.84Å; E142-R169 PolarHBondContact OE1-NH2 2.95Å
143	F	96.7	Very high	92.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.7	174.8	-60.3	-88.9	0	0	0	109.5	L105 K108 R109 L112 Y132 E141 T167 V168 I170 W215	L105-F143 HydrophobicContact CB-CE1 4.38Å; L105-F143 HydrophobicContact CD2-CZ 4.29Å; K108-F143 HydrophobicContact CB-CE1 3.68Å; K108-F143 HydrophobicContact CB-CE2 4.44Å; K108-F143 HydrophobicContact CB-CZ 3.45Å; K108-F143 VanDerWaalsContact CB-CZ 3.45Å; K108-F143 HydrophobicContact CD-CE2 4.41Å; K108-F143 HydrophobicContact CD-CZ 3.9Å; K108-F143 HydrophobicContact CG-CZ 4.34Å; R109-F143 HydrophobicContact CB-CD1 4.16Å; R109-F143 HydrophobicContact CB-CE1 4.03Å; L112-F143 HydrophobicContact CD2-CB 3.74Å; L112-F143 HydrophobicContact CD2-CG 4.37Å; Y132-F143 CarbonylContact O-C 3.5Å; Y132-F143 VanDerWaalsContact O-CA 3.3Å; Y132-F143 WeakPolarHBondContact O-CA 3.23Å; E141-F143 HydrophobicContact CB-CE2 4.07Å; F143-T167 CarbonylContact O-C 3.58Å; F143-T167 WeakPolarHBondContact O-CA 3.18Å; F143-V168 HydrophobicContact CB-CB 4.45Å; F143-V168 PolarHBondContact N-O 3.05Å; F143-V168 PolarHBondContact O-N 3.38Å; F143-I170 HydrophobicContact CD2-CD1 4.44Å; F143-I170 HydrophobicContact CE2-CD1 3.77Å; F143-I170 HydrophobicContact CE2-CG1 4.42Å; F143-W215 HydrophobicContact CD1-CH2 4.43Å; F143-W215 AromaticContact CD2-CH2 3.56Å; F143-W215 HydrophobicContact CD2-CH2 3.56Å; F143-W215 HydrophobicContact CD2-CZ2 4.46Å; F143-W215 HydrophobicContact CD2-CZ3 4.32Å; F143-W215 AromaticContact CE2-CH2 3.79Å; F143-W215 HydrophobicContact CE2-CH2 3.79Å; F143-W215 HydrophobicContact CE2-CZ2 4.33Å; F143-W215 AromaticContact CG-CH2 3.91Å; F143-W215 HydrophobicContact CG-CH2 3.91Å; F143-W215 HydrophobicContact CG-CZ3 4.5Å; F143-W215 HydrophobicContact CZ-CH2 4.32Å; F143-W215 HydrophobicContact CZ-CZ2 4.49Å
144	V	97.5	Very high	92.1	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	116.9	-179.3	-173.8	0	0	0	0	109.5	Y65 V131 Y132 L134 R165 W166 T167	Y65-V144 HydrophobicContact CD1-CB 4.35Å; Y65-V144 HydrophobicContact CD1-CG1 4.01Å; Y65-V144 HydrophobicContact CD1-CG2 4.04Å; Y65-V144 HydrophobicContact CD2-CG1 3.74Å; Y65-V144 HydrophobicContact CE1-CG1 4.12Å; Y65-V144 HydrophobicContact CE1-CG2 4.34Å; Y65-V144 HydrophobicContact CE2-CG1 3.85Å; Y65-V144 HydrophobicContact CG-CB 4.29Å; Y65-V144 HydrophobicContact CG-CG1 3.83Å; Y65-V144 HydrophobicContact CG-CG2 4.47Å; V131-V144 CarbonylContact C-O 3.45Å; V131-V144 WeakPolarHBondContact CA-O 3.35Å; Y132-V144 HydrophobicContact CD2-CB 4.42Å; Y132-V144 WeakPolarHBondContact CD2-O 3.45Å; Y132-V144 PolarHBondContact N-O 2.86Å; Y132-V144 PolarHBondContact O-N 2.7Å; L134-V144 HydrophobicContact CD1-CG2 3.8Å; V144-R165 HydrophobicContact CG1-CG 4.13Å; V144-W166 CarbonylContact C-O 3.5Å; V144-W166 WeakPolarHBondContact CA-O 3.45Å; V144-T167 HydrophobicContact CG2-CG2 4.2Å
145	V	97.8	Very high	92	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	122	172.5	-173.1	0	0	0	0	108.6	L112 I116 V131 I147 R165 W166	L112-V145 HydrophobicContact CD2-CG2 3.84Å; L112-V145 HydrophobicContact CG-CG2 4.28Å; I116-V145 HydrophobicContact CD1-CG1 3.94Å; I116-V145 HydrophobicContact CD1-CG2 4.32Å; I116-V145 HydrophobicContact CG1-CG1 4.01Å; I116-V145 HydrophobicContact CG1-CG2 4.22Å; I116-V145 HydrophobicContact CG2-CG1 3.91Å; V131-V145 HydrophobicContact CG1-CG2 4.34Å; V131-V145 HydrophobicContact CG2-CG1 4.26Å; V131-V145 HydrophobicContact CG2-CG2 4.12Å; V145-I147 HydrophobicContact CG1-CD1 4.28Å; V145-I147 HydrophobicContact CG1-CG1 3.92Å; V145-R165 CarbonylContact O-C 3.58Å; V145-R165 WeakPolarHBondContact O-CA 3.11Å; V145-W166 HydrophobicContact CB-CB 4.2Å; V145-W166 PolarHBondContact N-O 2.8Å; V145-W166 PolarHBondContact O-N 3.23Å
146	C	97.6	Very high	92	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.4	173	-65.5	0	0	0	0	108.7	F48 A129 N130 Y132	F48-C146 HydrophobicContact CD2-CB 3.66Å; F48-C146 HydrophobicContact CE2-CB 3.67Å; F48-C146 HydrophobicContact CG-CB 4.17Å; F48-C146 HydrophobicContact CZ-CB 4.19Å; F48-C146 VanDerWaalsContact CZ-SG 3.57Å; A129-C146 CarbonylContact C-O 3.54Å; A129-C146 WeakPolarHBondContact CA-O 3.21Å; A129-C146 WeakPolarHBondContact CB-O 3.46Å; N130-C146 PolarHBondContact N-O 2.82Å; N130-C146 PolarHBondContact O-N 2.94Å; Y132-C146 HydrophobicContact CE2-CB 4.22Å
147	I	97.3	Very high	92.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.7	179.2	-56.6	175.3	0	0	0	108.3	Y119 I120 F124 A129 V145 K163 S164 I222	Y119-I147 HydrophobicContact CD1-CD1 4.42Å; Y119-I147 HydrophobicContact CE1-CD1 4.18Å; I120-I147 HydrophobicContact CD1-CB 4.26Å; I120-I147 HydrophobicContact CD1-CD1 3.93Å; I120-I147 HydrophobicContact CD1-CG1 3.98Å; I120-I147 HydrophobicContact CD1-CG2 3.41Å; I120-I147 VanDerWaalsContact CD1-CG2 3.41Å; F124-I147 HydrophobicContact CD2-CG2 4.49Å; F124-I147 HydrophobicContact CE2-CG2 4.18Å; F124-I147 HydrophobicContact CZ-CG2 4.3Å; A129-I147 HydrophobicContact CB-CG1 3.99Å; V145-I147 HydrophobicContact CG1-CD1 4.28Å; V145-I147 HydrophobicContact CG1-CG1 3.92Å; I147-K163 WeakPolarHBondContact O-CA 3.32Å; I147-S164 WeakPolarHBondContact CB-OG 3.29Å; I147-S164 PolarHBondContact N-O 2.91Å; I147-S164 PolarHBondContact O-N 3.25Å; I147-I222 HydrophobicContact CD1-CG2 4.33Å
148	V	95.5	Very high	92.5	Very high	1 Å²	1	50 Å²	50	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.5	178.6	-175.8	0	0	0	0	109.3	F48 G127 S128 N150 W162	F48-V148 HydrophobicContact CB-CG2 3.33Å; F48-V148 HydrophobicContact CD2-CG2 3.86Å; F48-V148 HydrophobicContact CG-CG2 4.12Å; G127-V148 CarbonylContact C-O 3.53Å; G127-V148 VanDerWaalsContact CA-O 3.24Å; G127-V148 WeakPolarHBondContact CA-O 3.48Å; S128-V148 PolarHBondContact N-O 3.27Å; S128-V148 PolarHBondContact O-N 3.46Å; V148-N150 VanDerWaalsContact CG1-ND2 3.28Å; V148-N150 WeakPolarHBondContact CG1-ND2 3.39Å; V148-W162 WeakPolarHBondContact CA-O 3.35Å
149	N	94.8	Very high	92.6	Very high	36 Å²	36	46.6 Å²	46.6	19%	0.193	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	116.2	165.5	-175.7	14.2	0	0	0	109.6	F124 Q126 W162	F124-N149 HydrophobicContact CB-CB 4.34Å; F124-N149 HydrophobicContact CD1-CB 3.5Å; F124-N149 VanDerWaalsContact CD1-CB 3.5Å; F124-N149 WeakPolarHBondContact CD1-ND2 3.32Å; F124-N149 HydrophobicContact CE1-CB 4.19Å; F124-N149 HydrophobicContact CG-CB 4.28Å; Q126-N149 PolarHBondContact O-OD1 3.38Å; N149-W162 HydrophobicContact CB-CB 4.2Å; N149-W162 PolarHBondContact N-O 2.96Å; N149-W162 PolarHBondContact O-N 2.84Å
150	N	90.8	Very high	92.8	Very high	25 Å²	25	45.2 Å²	45.2	13%	0.134	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.9	-175.6	-72.3	-35.1	0	0	0	109.7	V148 Y152 H161	V148-N150 VanDerWaalsContact CG1-ND2 3.28Å; V148-N150 WeakPolarHBondContact CG1-ND2 3.39Å; N150-Y152 HydrophobicContact CB-CD2 4.44Å; N150-Y152 HydrophobicContact CB-CE1 4.48Å; N150-Y152 HydrophobicContact CB-CE2 3.68Å; N150-Y152 PolarHBondContact ND2-OH 2.96Å; N150-Y152 PolarHBondContact OD1-OH 3.03Å; N150-Y152 VanDerWaalsContact OD1-OH 3.12Å; N150-H161 PolarHBondContact OD1-ND1 2.78Å
151	R	90.2	Very high	92.9	Very high	125 Å²	125	42.2 Å²	42.2	47%	0.472	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	112.7	171	-168.8	161.7	169.9	-163.3	1.7	110	W158 N159 G160	R151-W158 HydrophobicContact CB-CH2 4.1Å; R151-W158 HydrophobicContact CB-CZ3 4.17Å; R151-W158 HydrophobicContact CG-CH2 3.54Å; R151-W158 HydrophobicContact CG-CZ2 4.33Å; R151-W158 HydrophobicContact CG-CZ3 4.07Å; R151-N159 WeakPolarHBondContact O-CA 3.34Å; R151-G160 PolarHBondContact N-O 2.98Å; R151-G160 PolarHBondContact O-N 2.87Å
152	Y	86.7	Confident	93	Very high	50 Å²	50	41.1 Å²	41.1	20%	0.196	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.5	-178.2	-54.4	-54.9	0	0	0	110.2	P12 R13 N150 P154 N159	P12-Y152 VanDerWaalsContact CB-OH 3.26Å; P12-Y152 WeakPolarHBondContact CB-OH 3.26Å; P12-Y152 VanDerWaalsContact CG-OH 3.31Å; P12-Y152 WeakPolarHBondContact CG-OH 3.38Å; R13-Y152 HydrophobicContact CB-CD1 4.13Å; R13-Y152 HydrophobicContact CB-CD2 4.19Å; R13-Y152 HydrophobicContact CB-CE1 4.34Å; R13-Y152 HydrophobicContact CB-CE2 4.35Å; R13-Y152 HydrophobicContact CB-CG 4.07Å; R13-Y152 HydrophobicContact CG-CD2 3.78Å; R13-Y152 HydrophobicContact CG-CE2 4.06Å; R13-Y152 HydrophobicContact CG-CG 4.07Å; N150-Y152 HydrophobicContact CB-CD2 4.44Å; N150-Y152 HydrophobicContact CB-CE1 4.48Å; N150-Y152 HydrophobicContact CB-CE2 3.68Å; N150-Y152 PolarHBondContact ND2-OH 2.96Å; N150-Y152 PolarHBondContact OD1-OH 3.03Å; N150-Y152 VanDerWaalsContact OD1-OH 3.12Å; Y152-P154 VanDerWaalsContact C-CD 3.48Å; Y152-N159 WeakPolarHBondContact CA-OD1 3.31Å; Y152-N159 HydrophobicContact CD1-CB 3.9Å; Y152-N159 WeakPolarHBondContact CD1-OD1 3.35Å; Y152-N159 HydrophobicContact CE1-CB 4.45Å
153	Q	88.4	Confident	93	Very high	54 Å²	54	41 Å²	41	25%	0.252	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	70.2	176.1	-65.1	-162.1	-22.7	0	0	109.7	K155 N156 F157 W158	Q153-K155 PolarHBondContact O-N 2.94Å; Q153-N156 HydrophobicContact CB-CB 4.1Å; Q153-N156 CarbonylContact O-C 3.55Å; Q153-N156 WeakPolarHBondContact O-CA 3.38Å; Q153-N156 PolarHBondContact O-N 2.9Å; Q153-N156 PolarHBondContact OE1-ND2 3.46Å; Q153-F157 PolarHBondContact O-N 3.21Å; Q153-W158 CarbonylContact C-O 3.58Å; Q153-W158 WeakPolarHBondContact CA-O 3.25Å; Q153-W158 HydrophobicContact CB-CD2 4.32Å; Q153-W158 HydrophobicContact CB-CZ2 4.21Å; Q153-W158 VanDerWaalsContact CD-CZ2 3.5Å; Q153-W158 HydrophobicContact CG-CZ2 3.84Å; Q153-W158 PolarHBondContact N-O 2.67Å; Q153-W158 PolarHBondContact O-N 3.47Å; Q153-W158 VanDerWaalsContact OE1-CE2 3.27Å
154	P	85.5	Confident	93	Very high	62 Å²	62	41 Å²	41	40%	0.403	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-61.7	-29.8	-177.6	24.8	-34.6	0	0	0	113.1	Y152 N156 F157	Y152-P154 VanDerWaalsContact C-CD 3.48Å; P154-N156 PolarHBondContact O-N 2.56Å; P154-F157 PolarHBondContact O-N 3.47Å
155	K	90.6	Very high	93	Very high	193 Å²	193	44.5 Å²	44.5	84%	0.839	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-61.9	-28.2	173	-66	-173.6	178.1	-176.1	0	113.1	Q153	Q153-K155 PolarHBondContact O-N 2.94Å
156	N	92	Very high	93	Very high	84 Å²	84	44.5 Å²	44.5	45%	0.449	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-103.8	15.6	177.4	-59.2	-18.7	0	0	0	110.9	Q153 P154 W158	Q153-N156 HydrophobicContact CB-CB 4.1Å; Q153-N156 CarbonylContact O-C 3.55Å; Q153-N156 WeakPolarHBondContact O-CA 3.38Å; Q153-N156 PolarHBondContact O-N 2.9Å; Q153-N156 PolarHBondContact OE1-ND2 3.46Å; P154-N156 PolarHBondContact O-N 2.56Å; N156-W158 VanDerWaalsContact O-CD1 3.27Å; N156-W158 PolarHBondContact O-N 2.85Å; N156-W158 VanDerWaalsContact O-N 3.1Å
157	F	91.1	Very high	93	Very high	82 Å²	82	45.6 Å²	45.6	36%	0.36	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	31.5	176.5	-51.3	-85.5	0	0	0	115.2	Q153 P154 Y188 F189 E190	Q153-F157 PolarHBondContact O-N 3.21Å; P154-F157 PolarHBondContact O-N 3.47Å; F157-Y188 CarbonylContact O-C 3.55Å; F157-Y188 WeakPolarHBondContact O-CA 3.49Å; F157-F189 VanDerWaalsContact CA-CZ 3.47Å; F157-F189 HydrophobicContact CB-CD2 3.97Å; F157-F189 HydrophobicContact CB-CE2 3.97Å; F157-F189 HydrophobicContact CB-CG 4.28Å; F157-F189 HydrophobicContact CB-CZ 4.27Å; F157-F189 AromaticContact CD1-CD2 3.81Å; F157-F189 HydrophobicContact CD1-CD2 3.81Å; F157-F189 AromaticContact CD1-CE2 3.64Å; F157-F189 HydrophobicContact CD1-CE2 3.64Å; F157-F189 HydrophobicContact CG-CD2 4.4Å; F157-F189 HydrophobicContact CG-CE2 4.26Å; F157-F189 WeakPolarHBondContact O-CD1 3.09Å; F157-F189 VanDerWaalsContact O-CE1 3.29Å; F157-F189 WeakPolarHBondContact O-CE1 3.28Å; F157-F189 PolarHBondContact O-N 2.94Å; F157-E190 HydrophobicContact CB-CB 3.72Å; F157-E190 HydrophobicContact CB-CG 4.37Å; F157-E190 HydrophobicContact CD2-CB 4.05Å; F157-E190 HydrophobicContact CD2-CG 3.73Å; F157-E190 HydrophobicContact CE2-CG 4.25Å; F157-E190 HydrophobicContact CG-CB 3.95Å; F157-E190 HydrophobicContact CG-CG 4.09Å
158	W	91	Very high	92.9	Very high	64 Å²	64	45.6 Å²	45.6	24%	0.242	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	151	176.6	76.1	-96	0	0	0	114.7	R151 Q153 N156 H187 Y188	R151-W158 HydrophobicContact CB-CH2 4.1Å; R151-W158 HydrophobicContact CB-CZ3 4.17Å; R151-W158 HydrophobicContact CG-CH2 3.54Å; R151-W158 HydrophobicContact CG-CZ2 4.33Å; R151-W158 HydrophobicContact CG-CZ3 4.07Å; Q153-W158 CarbonylContact C-O 3.58Å; Q153-W158 WeakPolarHBondContact CA-O 3.25Å; Q153-W158 HydrophobicContact CB-CD2 4.32Å; Q153-W158 HydrophobicContact CB-CZ2 4.21Å; Q153-W158 VanDerWaalsContact CD-CZ2 3.5Å; Q153-W158 HydrophobicContact CG-CZ2 3.84Å; Q153-W158 PolarHBondContact N-O 2.67Å; Q153-W158 PolarHBondContact O-N 3.47Å; Q153-W158 VanDerWaalsContact OE1-CE2 3.27Å; N156-W158 VanDerWaalsContact O-CD1 3.27Å; N156-W158 PolarHBondContact O-N 2.85Å; N156-W158 VanDerWaalsContact O-N 3.1Å; W158-H187 CarbonylContact C-O 3.53Å; W158-H187 WeakPolarHBondContact CA-O 3.27Å; W158-Y188 HydrophobicContact CB-CD2 4.02Å
159	N	91.9	Very high	92.9	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.043	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.2	176.9	-62.3	-61.9	0	0	0	110.1	T11 R151 Y152 V186 H187 F189	T11-N159 HydrophobicContact CG2-CB 4.36Å; R151-N159 WeakPolarHBondContact O-CA 3.34Å; Y152-N159 WeakPolarHBondContact CA-OD1 3.31Å; Y152-N159 HydrophobicContact CD1-CB 3.9Å; Y152-N159 WeakPolarHBondContact CD1-OD1 3.35Å; Y152-N159 HydrophobicContact CE1-CB 4.45Å; N159-V186 CarbonylContact O-C 3.59Å; N159-V186 WeakPolarHBondContact O-CA 3.48Å; N159-H187 PolarHBondContact N-O 2.88Å; N159-H187 PolarHBondContact O-N 2.83Å; N159-F189 WeakPolarHBondContact ND2-CE1 3.36Å
160	G	92.7	Very high	92.9	Very high	13 Å²	13	48.7 Å²	48.7	13%	0.134	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.1	172.2	0	0	0	0	0	111	R151 I185	R151-G160 PolarHBondContact N-O 2.98Å; R151-G160 PolarHBondContact O-N 2.87Å; G160-I185 CarbonylContact C-O 3.42Å; G160-I185 WeakPolarHBondContact CA-O 3.49Å
161	H	93.2	Very high	92.9	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.019	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	112.2	176.2	173.7	70.5	0	0	0	108.6	H47 N150 V184 I185	H47-H161 AromaticContact CG-NE2 3.95Å; H47-H161 AromaticContact ND1-CD2 3.63Å; H47-H161 AromaticContact ND1-CE1 3.8Å; H47-H161 AromaticContact ND1-NE2 3.03Å; H47-H161 PolarHBondContact ND1-NE2 2.95Å; H47-H161 PolarHBondContact O-CE1 3.35Å; N150-H161 PolarHBondContact OD1-ND1 2.78Å; H161-V184 WeakPolarHBondContact O-CA 3.32Å; H161-I185 HydrophobicContact CB-CB 4.32Å; H161-I185 PolarHBondContact N-O 2.77Å; H161-I185 PolarHBondContact O-N 2.91Å
162	W	95.8	Very high	92.8	Very high	36 Å²	36	47.3 Å²	47.3	14%	0.136	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.3	167.1	178.3	-80.2	0	0	0	109	F124 V148 N149 S164 I182 V184 E226	F124-W162 AromaticContact CE1-CD1 3.53Å; F124-W162 HydrophobicContact CE1-CD2 4.08Å; F124-W162 AromaticContact CE1-CE2 3.9Å; F124-W162 AromaticContact CE1-CG 3.88Å; F124-W162 HydrophobicContact CE1-CG 3.88Å; F124-W162 AromaticContact CE1-NE1 3.55Å; F124-W162 AromaticContact CZ-CD1 3.94Å; F124-W162 AromaticContact CZ-CE2 3.91Å; F124-W162 HydrophobicContact CZ-CZ2 4.36Å; F124-W162 AromaticContact CZ-NE1 3.5Å; V148-W162 WeakPolarHBondContact CA-O 3.35Å; N149-W162 HydrophobicContact CB-CB 4.2Å; N149-W162 PolarHBondContact N-O 2.96Å; N149-W162 PolarHBondContact O-N 2.84Å; W162-S164 PolarHBondContact NE1-OG 3.12Å; W162-I182 HydrophobicContact CH2-CG2 3.69Å; W162-I182 HydrophobicContact CZ2-CG2 3.53Å; W162-I182 HydrophobicContact CZ3-CG2 4.28Å; W162-V184 HydrophobicContact CD2-CG2 4.22Å; W162-V184 HydrophobicContact CE3-CG1 4.5Å; W162-V184 HydrophobicContact CE3-CG2 3.39Å; W162-V184 HydrophobicContact CH2-CG2 4.43Å; W162-V184 HydrophobicContact CZ3-CG2 3.52Å; W162-E226 HydrophobicContact CH2-CB 4.34Å; W162-E226 HydrophobicContact CZ2-CB 3.94Å; W162-E226 HydrophobicContact CZ2-CG 3.86Å
163	K	95.4	Very high	92.7	Very high	24 Å²	24	49 Å²	49	10%	0.104	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	127.3	173.7	-177.9	-177.4	71.4	-175.7	0	109.8	K46 F48 I147 K183	K46-K163 WeakPolarHBondContact O-CD 3.25Å; K46-K163 PolarHBondContact O-NZ 3.21Å; F48-K163 HydrophobicContact CD2-CD 3.65Å; F48-K163 HydrophobicContact CD2-CG 3.5Å; F48-K163 HydrophobicContact CE2-CD 3.72Å; F48-K163 HydrophobicContact CE2-CG 3.59Å; F48-K163 HydrophobicContact CG-CD 4.12Å; F48-K163 HydrophobicContact CG-CG 4.39Å; F48-K163 HydrophobicContact CZ-CD 4.25Å; I147-K163 WeakPolarHBondContact O-CA 3.32Å; K163-K183 PolarHBondContact N-O 2.77Å; K163-K183 PolarHBondContact O-N 2.67Å
164	S	96.9	Very high	92.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.9	168.1	50.9	0	0	0	0	110.9	I147 W162 K181 E226	I147-S164 WeakPolarHBondContact CB-OG 3.29Å; I147-S164 PolarHBondContact N-O 2.91Å; I147-S164 PolarHBondContact O-N 3.25Å; W162-S164 PolarHBondContact NE1-OG 3.12Å; S164-K181 WeakPolarHBondContact CA-O 3.42Å; S164-E226 WeakPolarHBondContact CB-OE1 3.36Å; S164-E226 PolarHBondContact OG-OE1 2.95Å
165	R	97.5	Very high	93.2	Very high	74 Å²	74	54.1 Å²	54.1	28%	0.279	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.4	175	-179.3	-159.9	62.3	-173.6	5.5	108.1	F48 Y65 V144 V145 G180 K181	F48-R165 HydrophobicContact CE2-CB 4.1Å; F48-R165 HydrophobicContact CZ-CB 4.03Å; F48-R165 HydrophobicContact CZ-CG 4.25Å; Y65-R165 HydrophobicContact CE2-CG 4.24Å; Y65-R165 WeakPolarHBondContact OH-CD 3.38Å; Y65-R165 PolarHBondContact OH-NH1 2.78Å; V144-R165 HydrophobicContact CG1-CG 4.13Å; V145-R165 CarbonylContact O-C 3.58Å; V145-R165 WeakPolarHBondContact O-CA 3.11Å; R165-G180 CarbonylContact O-C 3.59Å; R165-G180 VanDerWaalsContact O-CA 3.25Å; R165-G180 WeakPolarHBondContact O-CA 3.44Å; R165-K181 PolarHBondContact N-O 2.87Å; R165-K181 PolarHBondContact O-N 2.88Å
166	W	98	Very high	93.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.7	177.7	-60.2	97.8	0	0	0	109.7	V144 V145 I178 I182 I202 I222 E225 E226	V144-W166 CarbonylContact C-O 3.5Å; V144-W166 WeakPolarHBondContact CA-O 3.45Å; V145-W166 HydrophobicContact CB-CB 4.2Å; V145-W166 PolarHBondContact N-O 2.8Å; V145-W166 PolarHBondContact O-N 3.23Å; W166-I178 HydrophobicContact CE3-CD1 3.67Å; W166-I178 HydrophobicContact CE3-CG1 3.84Å; W166-I178 HydrophobicContact CZ3-CD1 4.12Å; W166-I178 HydrophobicContact CZ3-CG1 4.36Å; W166-I182 HydrophobicContact CZ2-CD1 4.16Å; W166-I182 HydrophobicContact CZ2-CG1 4.16Å; W166-I202 HydrophobicContact CH2-CB 4.43Å; W166-I202 HydrophobicContact CH2-CD1 3.71Å; W166-I202 HydrophobicContact CH2-CG2 4.15Å; W166-I202 HydrophobicContact CZ2-CD1 4.32Å; W166-I202 HydrophobicContact CZ3-CB 4.3Å; W166-I202 HydrophobicContact CZ3-CD1 4.39Å; W166-I202 HydrophobicContact CZ3-CG2 3.88Å; W166-I222 HydrophobicContact CB-CD1 4.16Å; W166-I222 HydrophobicContact CB-CG1 4.49Å; W166-I222 HydrophobicContact CD2-CD1 4.24Å; W166-I222 HydrophobicContact CD2-CG1 3.66Å; W166-I222 HydrophobicContact CE3-CG1 4.09Å; W166-I222 HydrophobicContact CG-CD1 3.86Å; W166-I222 HydrophobicContact CG-CG1 3.83Å; W166-I222 HydrophobicContact CZ2-CB 4.35Å; W166-I222 HydrophobicContact CZ2-CG1 4.23Å; W166-I222 HydrophobicContact CZ2-CG2 4.18Å; W166-E225 HydrophobicContact CH2-CB 3.62Å; W166-E225 HydrophobicContact CH2-CG 4.14Å; W166-E225 HydrophobicContact CZ2-CB 4.26Å; W166-E226 HydrophobicContact CZ2-CG 3.95Å; W166-E226 PolarHBondContact NE1-OE1 2.93Å
167	T	97.3	Very high	93.6	Very high	22 Å²	22	44 Å²	44	14%	0.135	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.6	175.4	-59.7	0	0	0	0	108.3	F143 V144 I178 V179	F143-T167 CarbonylContact O-C 3.58Å; F143-T167 WeakPolarHBondContact O-CA 3.18Å; V144-T167 HydrophobicContact CG2-CG2 4.2Å; T167-I178 CarbonylContact O-C 3.38Å; T167-I178 WeakPolarHBondContact O-CA 3.37Å; T167-V179 PolarHBondContact N-O 2.64Å; T167-V179 PolarHBondContact O-N 3.3Å
168	V	96.4	Very high	93.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	113.2	175.1	-175.7	0	0	0	0	108	E142 F143 A176 K177 I178 W215 V218	E142-V168 CarbonylContact C-O 3.57Å; E142-V168 WeakPolarHBondContact CA-O 3.11Å; F143-V168 HydrophobicContact CB-CB 4.45Å; F143-V168 PolarHBondContact N-O 3.05Å; F143-V168 PolarHBondContact O-N 3.38Å; V168-A176 HydrophobicContact CG1-CB 4.26Å; V168-K177 WeakPolarHBondContact CA-O 2.85Å; V168-I178 HydrophobicContact CG2-CD1 4.25Å; V168-I178 HydrophobicContact CG2-CG1 4.17Å; V168-W215 HydrophobicContact CG1-CZ3 4.27Å; V168-V218 HydrophobicContact CG1-CG2 4.18Å; V168-V218 HydrophobicContact CG2-CG1 3.84Å; V168-V218 HydrophobicContact CG2-CG2 3.94Å
169	R	95.2	Very high	94.1	Very high	82 Å²	82	39.5 Å²	39.5	31%	0.309	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125	175.6	-179.8	-177.1	-70.9	-177.6	-6	109.4	E142 E171 A176 K177	E142-R169 HydrophobicContact CG-CB 4.13Å; E142-R169 HydrophobicContact CG-CG 4.08Å; E142-R169 IonicContact OE1-CZ 2.67Å; E142-R169 IonicContact OE1-NE 2.91Å; E142-R169 PolarHBondContact OE1-NE 3.03Å; E142-R169 IonicContact OE1-NH2 3.84Å; E142-R169 PolarHBondContact OE1-NH2 2.95Å; R169-E171 WeakPolarHBondContact CD-OE1 3.36Å; R169-E171 PolarHBondContact O-N 3.32Å; R169-A176 CarbonylContact O-C 3.53Å; R169-A176 WeakPolarHBondContact O-CA 3.43Å; R169-A176 WeakPolarHBondContact O-CB 3.43Å; R169-K177 PolarHBondContact N-O 3.23Å; R169-K177 PolarHBondContact O-N 3.19Å
170	I	93.6	Very high	94.3	Very high	21 Å²	21	39.2 Å²	39.2	11%	0.108	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	113	175.5	-58.2	-178.9	0	0	0	108.1	E141 F143 S172 F208 L214	E141-I170 HydrophobicContact CB-CD1 4.31Å; E141-I170 PolarHBondContact O-N 3.01Å; F143-I170 HydrophobicContact CD2-CD1 4.44Å; F143-I170 HydrophobicContact CE2-CD1 3.77Å; F143-I170 HydrophobicContact CE2-CG1 4.42Å; I170-S172 WeakPolarHBondContact CG2-O 3.24Å; I170-F208 HydrophobicContact CG2-CZ 4.17Å; I170-L214 HydrophobicContact CD1-CD2 4.3Å
171	E	91.5	Very high	94.5	Very high	70 Å²	70	42.9 Å²	42.9	33%	0.327	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-37.4	-176.5	-65.7	-69.2	173.8	0	0	111.8	K140 R169 Q175 K177	K140-E171 WeakPolarHBondContact CE-OE2 3.35Å; K140-E171 IonicContact NZ-OE2 2.71Å; K140-E171 PolarHBondContact NZ-OE2 3.01Å; R169-E171 WeakPolarHBondContact CD-OE1 3.36Å; R169-E171 PolarHBondContact O-N 3.32Å; E171-Q175 PolarHBondContact N-O 2.87Å; E171-K177 HydrophobicContact CG-CB 4.3Å
172	S	88.6	Confident	94.7	Very high	50 Å²	50	42.7 Å²	42.7	35%	0.35	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	-179.5	176.6	64.7	0	0	0	0	110.5	I170 H174 Q175	I170-S172 WeakPolarHBondContact CG2-O 3.24Å; S172-H174 PolarHBondContact O-N 2.83Å; S172-Q175 PolarHBondContact N-O 3.34Å; S172-Q175 VanDerWaalsContact N-O 3.13Å; S172-Q175 PolarHBondContact O-N 3.32Å; S172-Q175 WeakPolarHBondContact OG-CB 3.43Å; S172-Q175 PolarHBondContact OG-N 2.88Å
173	S	84.7	Confident	94.7	Very high	86 Å²	86	41.5 Å²	41.5	60%	0.601	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-21	-179.7	59.3	0	0	0	0	114.5	F208	S173-F208 WeakPolarHBondContact O-CE2 3.35Å; S173-F208 WeakPolarHBondContact O-CZ 3.22Å
174	H	89.8	Confident	94.7	Very high	104 Å²	104	41.1 Å²	41.1	48%	0.481	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.1	6.7	-176.6	-57.9	-54.4	0	0	0	114.2	S172 S207 F208	S172-H174 PolarHBondContact O-N 2.83Å; H174-S207 CarbonylContact O-C 3.55Å; H174-S207 WeakPolarHBondContact O-CA 3.35Å; H174-F208 VanDerWaalsContact CA-O 3.32Å; H174-F208 WeakPolarHBondContact CA-O 3.41Å; H174-F208 WeakPolarHBondContact CB-O 3.49Å; H174-F208 PolarHBondContact ND1-O 2.92Å; H174-F208 PolarHBondContact O-N 3.24Å
175	Q	93.7	Very high	94.6	Very high	120 Å²	120	41.9 Å²	41.9	56%	0.561	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.1	135	-179.7	-61.2	-174.6	-17	0	0	111.4	E171 S172 L206	E171-Q175 PolarHBondContact N-O 2.87Å; S172-Q175 PolarHBondContact N-O 3.34Å; S172-Q175 VanDerWaalsContact N-O 3.13Å; S172-Q175 PolarHBondContact O-N 3.32Å; S172-Q175 WeakPolarHBondContact OG-CB 3.43Å; S172-Q175 PolarHBondContact OG-N 2.88Å; Q175-L206 WeakPolarHBondContact CA-O 3.48Å
176	A	94.8	Very high	94.4	Very high	3 Å²	3	41 Å²	41	3%	0.025	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	155.4	171.8	0	0	0	0	0	110.7	V168 R169 L206 F208 L214	V168-A176 HydrophobicContact CG1-CB 4.26Å; R169-A176 CarbonylContact O-C 3.53Å; R169-A176 WeakPolarHBondContact O-CA 3.43Å; R169-A176 WeakPolarHBondContact O-CB 3.43Å; A176-L206 HydrophobicContact CB-CD1 3.92Å; A176-L206 HydrophobicContact CB-CG 4.06Å; A176-L206 PolarHBondContact N-O 3.12Å; A176-L206 PolarHBondContact O-N 3.06Å; A176-F208 HydrophobicContact CB-CD1 4.23Å; A176-F208 HydrophobicContact CB-CE1 3.91Å; A176-L214 HydrophobicContact CB-CD1 4.17Å
177	K	95.7	Very high	94.1	Very high	62 Å²	62	41.2 Å²	41.2	27%	0.27	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.3	175.5	-175.5	176.3	-179.3	168.1	0	109	V168 R169 E171 V179 E203	V168-K177 WeakPolarHBondContact CA-O 2.85Å; R169-K177 PolarHBondContact N-O 3.23Å; R169-K177 PolarHBondContact O-N 3.19Å; E171-K177 HydrophobicContact CG-CB 4.3Å; K177-V179 HydrophobicContact CD-CG2 4.47Å; K177-V179 HydrophobicContact CG-CG2 4.29Å; K177-E203 VanDerWaalsContact CE-CD 3.43Å; K177-E203 WeakPolarHBondContact CE-OE1 3.48Å; K177-E203 IonicContact NZ-OE1 2.75Å; K177-E203 PolarHBondContact NZ-OE1 3.34Å
178	I	96.3	Very high	93.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.7	174.9	-174.7	173.2	0	0	0	109.9	W166 T167 V168 E203 R204 L206 V218 I221 I222	W166-I178 HydrophobicContact CE3-CD1 3.67Å; W166-I178 HydrophobicContact CE3-CG1 3.84Å; W166-I178 HydrophobicContact CZ3-CD1 4.12Å; W166-I178 HydrophobicContact CZ3-CG1 4.36Å; T167-I178 CarbonylContact O-C 3.38Å; T167-I178 WeakPolarHBondContact O-CA 3.37Å; V168-I178 HydrophobicContact CG2-CD1 4.25Å; V168-I178 HydrophobicContact CG2-CG1 4.17Å; I178-E203 WeakPolarHBondContact O-CA 3.12Å; I178-R204 HydrophobicContact CG2-CB 3.55Å; I178-R204 HydrophobicContact CG2-CG 4.31Å; I178-R204 WeakPolarHBondContact CG2-O 3.5Å; I178-R204 PolarHBondContact N-O 3.42Å; I178-R204 PolarHBondContact O-N 2.89Å; I178-L206 HydrophobicContact CB-CD2 4.47Å; I178-L206 HydrophobicContact CG2-CD2 4.28Å; I178-V218 HydrophobicContact CD1-CG1 4.19Å; I178-I221 HydrophobicContact CD1-CG2 4.24Å; I178-I221 HydrophobicContact CG2-CD1 4.42Å; I178-I221 HydrophobicContact CG2-CG2 4.33Å; I178-I222 HydrophobicContact CD1-CG1 4.3Å
179	V	97.2	Very high	93.6	Very high	50 Å²	50	47 Å²	47	30%	0.303	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.1	176.6	-179	0	0	0	0	108.6	T167 K177 I202 E203	T167-V179 PolarHBondContact N-O 2.64Å; T167-V179 PolarHBondContact O-N 3.3Å; K177-V179 HydrophobicContact CD-CG2 4.47Å; K177-V179 HydrophobicContact CG-CG2 4.29Å; V179-I202 CarbonylContact C-O 3.57Å; V179-I202 WeakPolarHBondContact CA-O 3.21Å; V179-E203 HydrophobicContact CG2-CG 4.45Å
180	G	96.7	Very high	93.5	Very high	2 Å²	2	47 Å²	47	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	152	-178.4	0	0	0	0	0	113	R165 I202	R165-G180 CarbonylContact O-C 3.59Å; R165-G180 VanDerWaalsContact O-CA 3.25Å; R165-G180 WeakPolarHBondContact O-CA 3.44Å; G180-I202 PolarHBondContact N-O 2.94Å; G180-I202 PolarHBondContact O-N 2.75Å
181	K	97.1	Very high	93.3	Very high	90 Å²	90	54.3 Å²	54.3	39%	0.391	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	117.4	162.4	-172.9	172.9	-175.6	170.1	0	109.3	S164 R165 S199 K200	S164-K181 WeakPolarHBondContact CA-O 3.42Å; R165-K181 PolarHBondContact N-O 2.87Å; R165-K181 PolarHBondContact O-N 2.88Å; K181-S199 WeakPolarHBondContact CE-OG 3.36Å; K181-K200 WeakPolarHBondContact CA-O 3.45Å
182	I	96.8	Very high	93.2	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.8	173.9	-55.3	165.7	0	0	0	107.9	W162 W166 V184 S199 K200 I202 E226 C229	W162-I182 HydrophobicContact CH2-CG2 3.69Å; W162-I182 HydrophobicContact CZ2-CG2 3.53Å; W162-I182 HydrophobicContact CZ3-CG2 4.28Å; W166-I182 HydrophobicContact CZ2-CD1 4.16Å; W166-I182 HydrophobicContact CZ2-CG1 4.16Å; I182-V184 HydrophobicContact CG2-CG2 4.32Å; I182-S199 CarbonylContact O-C 3.53Å; I182-S199 VanDerWaalsContact O-CA 3.32Å; I182-S199 WeakPolarHBondContact O-CA 3.18Å; I182-K200 PolarHBondContact N-O 3.34Å; I182-K200 PolarHBondContact O-N 3.28Å; I182-I202 HydrophobicContact CD1-CD1 3.52Å; I182-I202 HydrophobicContact CG1-CD1 3.96Å; I182-E226 HydrophobicContact CD1-CB 4.4Å; I182-E226 HydrophobicContact CD1-CG 3.74Å; I182-E226 HydrophobicContact CG1-CG 4.26Å; I182-C229 HydrophobicContact CD1-CB 3.81Å
183	K	95.8	Very high	93.3	Very high	11 Å²	11	55.7 Å²	55.7	5%	0.048	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.1	174.1	-170.4	168.6	-168.8	171	0	109.9	E7 K163 I185 N198	E7-K183 IonicContact OE1-NZ 3.75Å; E7-K183 PolarHBondContact OE1-NZ 2.82Å; E7-K183 IonicContact OE2-NZ 3.45Å; E7-K183 PolarHBondContact OE2-NZ 3.34Å; K163-K183 PolarHBondContact N-O 2.77Å; K163-K183 PolarHBondContact O-N 2.67Å; K183-I185 HydrophobicContact CD-CD1 4.42Å; K183-I185 HydrophobicContact CG-CG1 4.3Å; K183-N198 CarbonylContact C-O 3.54Å; K183-N198 VanDerWaalsContact CA-O 3.28Å; K183-N198 WeakPolarHBondContact CA-O 3.5Å; K183-N198 WeakPolarHBondContact CG-O 3.28Å
184	V	95.1	Very high	93.6	Very high	16 Å²	16	56.1 Å²	56.1	10%	0.097	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.5	177.4	-172.7	0	0	0	0	108.5	H161 W162 I182 V186 L196 V197 N198 I233	H161-V184 WeakPolarHBondContact O-CA 3.32Å; W162-V184 HydrophobicContact CD2-CG2 4.22Å; W162-V184 HydrophobicContact CE3-CG1 4.5Å; W162-V184 HydrophobicContact CE3-CG2 3.39Å; W162-V184 HydrophobicContact CH2-CG2 4.43Å; W162-V184 HydrophobicContact CZ3-CG2 3.52Å; I182-V184 HydrophobicContact CG2-CG2 4.32Å; V184-V186 HydrophobicContact CG1-CG2 4.35Å; V184-L196 HydrophobicContact CG1-CD2 4.26Å; V184-V197 WeakPolarHBondContact O-CA 3.09Å; V184-N198 HydrophobicContact CB-CB 4.44Å; V184-N198 PolarHBondContact N-O 2.87Å; V184-N198 PolarHBondContact O-N 2.87Å; V184-I233 HydrophobicContact CB-CD1 4.22Å; V184-I233 HydrophobicContact CG2-CD1 3.83Å
185	I	94.2	Very high	93.7	Very high	16 Å²	16	54 Å²	54	8%	0.082	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.6	176.1	-52.5	175.7	0	0	0	108.1	G160 H161 K183 L196 V197	G160-I185 CarbonylContact C-O 3.42Å; G160-I185 WeakPolarHBondContact CA-O 3.49Å; H161-I185 HydrophobicContact CB-CB 4.32Å; H161-I185 PolarHBondContact N-O 2.77Å; H161-I185 PolarHBondContact O-N 2.91Å; K183-I185 HydrophobicContact CD-CD1 4.42Å; K183-I185 HydrophobicContact CG-CG1 4.3Å; I185-L196 CarbonylContact C-O 3.59Å; I185-L196 VanDerWaalsContact CA-O 3.27Å; I185-L196 WeakPolarHBondContact CA-O 3.39Å; I185-V197 HydrophobicContact CG2-CG2 4.44Å
186	V	93.4	Very high	93.7	Very high	55 Å²	55	50.8 Å²	50.8	33%	0.333	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.6	171.6	-174.7	0	0	0	0	108.3	N159 V184 Q195 L196	N159-V186 CarbonylContact O-C 3.59Å; N159-V186 WeakPolarHBondContact O-CA 3.48Å; V184-V186 HydrophobicContact CG1-CG2 4.35Å; V186-Q195 CarbonylContact O-C 3.32Å; V186-Q195 VanDerWaalsContact O-CA 3.25Å; V186-Q195 WeakPolarHBondContact O-CA 3.29Å; V186-L196 HydrophobicContact CB-CB 4.15Å; V186-L196 PolarHBondContact N-O 2.84Å; V186-L196 PolarHBondContact O-N 2.9Å
187	H	92.6	Very high	93.6	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.019	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	118	179.1	177.7	-165.8	0	0	0	108.7	T11 R14 W158 N159 N193 Q195	T11-H187 HydrophobicContact CG2-CB 3.69Å; R14-H187 VanDerWaalsContact CZ-CE1 3.42Å; R14-H187 PolarHBondContact NH2-CE1 3.03Å; W158-H187 CarbonylContact C-O 3.53Å; W158-H187 WeakPolarHBondContact CA-O 3.27Å; N159-H187 PolarHBondContact N-O 2.88Å; N159-H187 PolarHBondContact O-N 2.83Å; H187-N193 PolarHBondContact CD2-OD1 3.02Å; H187-N193 VanDerWaalsContact CD2-OD1 3.24Å; H187-N193 PolarHBondContact NE2-OD1 3.48Å; H187-Q195 HydrophobicContact CB-CG 4.36Å
188	Y	91.8	Very high	93.5	Very high	97 Å²	97	53.5 Å²	53.5	38%	0.38	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.4	173.6	177.2	-100.3	0	0	0	108.7	F157 W158 E190 V194	F157-Y188 CarbonylContact O-C 3.55Å; F157-Y188 WeakPolarHBondContact O-CA 3.49Å; W158-Y188 HydrophobicContact CB-CD2 4.02Å; Y188-E190 HydrophobicContact CE1-CB 3.85Å; Y188-E190 HydrophobicContact CE2-CB 3.88Å; Y188-E190 VanDerWaalsContact OH-CB 3.31Å; Y188-E190 WeakPolarHBondContact OH-CB 3.32Å; Y188-E190 PolarHBondContact OH-OE2 2.87Å; Y188-V194 PolarHBondContact N-O 3.45Å; Y188-V194 PolarHBondContact O-N 2.99Å
189	F	91.1	Very high	93.5	Very high	48 Å²	48	56.2 Å²	56.2	21%	0.211	31%	0.307	C	S	.	.			trans	-138.2	27.3	-169.8	59.8	-87	0	0	0	114.4	F157 N159 G192	F157-F189 VanDerWaalsContact CA-CZ 3.47Å; F157-F189 HydrophobicContact CB-CD2 3.97Å; F157-F189 HydrophobicContact CB-CE2 3.97Å; F157-F189 HydrophobicContact CB-CG 4.28Å; F157-F189 HydrophobicContact CB-CZ 4.27Å; F157-F189 AromaticContact CD1-CD2 3.81Å; F157-F189 HydrophobicContact CD1-CD2 3.81Å; F157-F189 AromaticContact CD1-CE2 3.64Å; F157-F189 HydrophobicContact CD1-CE2 3.64Å; F157-F189 HydrophobicContact CG-CD2 4.4Å; F157-F189 HydrophobicContact CG-CE2 4.26Å; F157-F189 WeakPolarHBondContact O-CD1 3.09Å; F157-F189 VanDerWaalsContact O-CE1 3.29Å; F157-F189 WeakPolarHBondContact O-CE1 3.28Å; F157-F189 PolarHBondContact O-N 2.94Å; N159-F189 WeakPolarHBondContact ND2-CE1 3.36Å; F189-G192 CarbonylContact C-O 3.33Å; F189-G192 VanDerWaalsContact C-O 3.32Å; F189-G192 WeakPolarHBondContact CA-O 3.35Å
190	E	92.1	Very high	93.3	Very high	80 Å²	80	56.6 Å²	56.6	37%	0.374	31%	0.305	S	S	.	.	S	Bend	trans	-83.8	122.4	168.7	-158.6	169.4	-151.6	0	0	108.3	F157 Y188 G192	F157-E190 HydrophobicContact CB-CB 3.72Å; F157-E190 HydrophobicContact CB-CG 4.37Å; F157-E190 HydrophobicContact CD2-CB 4.05Å; F157-E190 HydrophobicContact CD2-CG 3.73Å; F157-E190 HydrophobicContact CE2-CG 4.25Å; F157-E190 HydrophobicContact CG-CB 3.95Å; F157-E190 HydrophobicContact CG-CG 4.09Å; Y188-E190 HydrophobicContact CE1-CB 3.85Å; Y188-E190 HydrophobicContact CE2-CB 3.88Å; Y188-E190 VanDerWaalsContact OH-CB 3.31Å; Y188-E190 WeakPolarHBondContact OH-CB 3.32Å; Y188-E190 PolarHBondContact OH-OE2 2.87Å; E190-G192 PolarHBondContact O-N 3.01Å
191	D	90.9	Very high	93.3	Very high	175 Å²	175	61.4 Å²	61.4	94%	0.936	34%	0.336	S	S	*	.	S	Bend	trans	50.5	22.8	178.4	-59.7	-31.8	0	0	0	115.8
192	G	89.4	Confident	93.2	Very high	45 Å²	45	57.7 Å²	57.7	46%	0.464	32%	0.32	S	S	.	.	S	Bend	trans	175.6	-173.5	-175.8	0	0	0	0	0	111.6	F189 E190	F189-G192 CarbonylContact C-O 3.33Å; F189-G192 VanDerWaalsContact C-O 3.32Å; F189-G192 WeakPolarHBondContact CA-O 3.35Å; E190-G192 PolarHBondContact O-N 3.01Å
193	N	89.9	Confident	93.2	Very high	104 Å²	104	63.5 Å²	63.5	56%	0.556	35%	0.347	S	S	*	.			trans	-137.6	105.2	171.8	176.9	12.1	0	0	0	108.5	H187 Q195	H187-N193 PolarHBondContact CD2-OD1 3.02Å; H187-N193 VanDerWaalsContact CD2-OD1 3.24Å; H187-N193 PolarHBondContact NE2-OD1 3.48Å; N193-Q195 WeakPolarHBondContact OD1-CG 3.34Å
194	V	91.2	Very high	93.1	Very high	96 Å²	96	67.8 Å²	67.8	58%	0.582	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.3	178.8	-176.9	0	0	0	0	108.4	Y188	Y188-V194 PolarHBondContact N-O 3.45Å; Y188-V194 PolarHBondContact O-N 2.99Å
195	Q	92.3	Very high	93	Very high	60 Å²	60	71.9 Å²	71.9	28%	0.28	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.2	179.2	-60.6	-169	-0.3	0	0	111.6	A8 V186 H187 N193	A8-Q195 VanDerWaalsContact CB-OE1 3.26Å; A8-Q195 PolarHBondContact O-NE2 3.18Å; A8-Q195 PolarHBondContact O-OE1 3.24Å; V186-Q195 CarbonylContact O-C 3.32Å; V186-Q195 VanDerWaalsContact O-CA 3.25Å; V186-Q195 WeakPolarHBondContact O-CA 3.29Å; H187-Q195 HydrophobicContact CB-CG 4.36Å; N193-Q195 WeakPolarHBondContact OD1-CG 3.34Å
196	L	92.6	Very high	92.9	Very high	52 Å²	52	71.9 Å²	71.9	27%	0.272	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.3	166.8	-179.6	154.3	0	0	0	107.6	V184 I185 V186 N198 I233	V184-L196 HydrophobicContact CG1-CD2 4.26Å; I185-L196 CarbonylContact C-O 3.59Å; I185-L196 VanDerWaalsContact CA-O 3.27Å; I185-L196 WeakPolarHBondContact CA-O 3.39Å; V186-L196 HydrophobicContact CB-CB 4.15Å; V186-L196 PolarHBondContact N-O 2.84Å; V186-L196 PolarHBondContact O-N 2.9Å; L196-N198 HydrophobicContact CD2-CB 4.25Å; L196-I233 HydrophobicContact CD1-CG2 4.19Å
197	V	94.1	Very high	92.8	Very high	73 Å²	73	73.6 Å²	73.6	44%	0.442	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	118.8	171.8	-177.6	0	0	0	0	107.8	V184 I185	V184-V197 WeakPolarHBondContact O-CA 3.09Å; I185-V197 HydrophobicContact CG2-CG2 4.44Å
198	N	94.1	Very high	92.7	Very high	49 Å²	49	74 Å²	74	26%	0.262	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.5	174.6	-170.5	-41	0	0	0	109.5	K183 V184 L196 I233	K183-N198 CarbonylContact C-O 3.54Å; K183-N198 VanDerWaalsContact CA-O 3.28Å; K183-N198 WeakPolarHBondContact CA-O 3.5Å; K183-N198 WeakPolarHBondContact CG-O 3.28Å; V184-N198 HydrophobicContact CB-CB 4.44Å; V184-N198 PolarHBondContact N-O 2.87Å; V184-N198 PolarHBondContact O-N 2.87Å; L196-N198 HydrophobicContact CD2-CB 4.25Å; N198-I233 HydrophobicContact CB-CD1 4.21Å; N198-I233 HydrophobicContact CB-CG1 4.42Å; N198-I233 VanDerWaalsContact ND2-CG1 3.28Å; N198-I233 WeakPolarHBondContact ND2-CG1 3.32Å
199	S	94.4	Very high	92.6	Very high	56 Å²	56	74.4 Å²	74.4	39%	0.392	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	122.4	172.5	172.3	0	0	0	0	109.8	K181 I182	K181-S199 WeakPolarHBondContact CE-OG 3.36Å; I182-S199 CarbonylContact O-C 3.53Å; I182-S199 VanDerWaalsContact O-CA 3.32Å; I182-S199 WeakPolarHBondContact O-CA 3.18Å
200	K	93.8	Very high	92.4	Very high	58 Å²	58	76.1 Å²	76.1	25%	0.252	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	106.3	177.4	-173.6	-175.4	168.8	-162.7	0	110	K181 I182 I202 E225 C229	K181-K200 WeakPolarHBondContact CA-O 3.45Å; I182-K200 PolarHBondContact N-O 3.34Å; I182-K200 PolarHBondContact O-N 3.28Å; K200-I202 HydrophobicContact CD-CD1 4.16Å; K200-I202 HydrophobicContact CD-CG1 4.3Å; K200-I202 HydrophobicContact CG-CD1 4.27Å; K200-I202 HydrophobicContact CG-CG1 4.16Å; K200-E225 IonicContact NZ-OE2 3.07Å; K200-E225 PolarHBondContact NZ-OE2 3.47Å; K200-C229 HydrophobicContact CD-CB 4.14Å
201	P	96	Very high	92	Very high	103 Å²	103	75.3 Å²	75.3	67%	0.669	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	143.1	167.5	32.1	-32.7	0	0	0	110
202	I	96.3	Very high	91.9	Very high	13 Å²	13	71.6 Å²	71.6	7%	0.067	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139.5	-176.6	-68.5	146.5	0	0	0	108.6	W166 V179 G180 I182 K200 R204 E225	W166-I202 HydrophobicContact CH2-CB 4.43Å; W166-I202 HydrophobicContact CH2-CD1 3.71Å; W166-I202 HydrophobicContact CH2-CG2 4.15Å; W166-I202 HydrophobicContact CZ2-CD1 4.32Å; W166-I202 HydrophobicContact CZ3-CB 4.3Å; W166-I202 HydrophobicContact CZ3-CD1 4.39Å; W166-I202 HydrophobicContact CZ3-CG2 3.88Å; V179-I202 CarbonylContact C-O 3.57Å; V179-I202 WeakPolarHBondContact CA-O 3.21Å; G180-I202 PolarHBondContact N-O 2.94Å; G180-I202 PolarHBondContact O-N 2.75Å; I182-I202 HydrophobicContact CD1-CD1 3.52Å; I182-I202 HydrophobicContact CG1-CD1 3.96Å; K200-I202 HydrophobicContact CD-CD1 4.16Å; K200-I202 HydrophobicContact CD-CG1 4.3Å; K200-I202 HydrophobicContact CG-CD1 4.27Å; K200-I202 HydrophobicContact CG-CG1 4.16Å; I202-R204 HydrophobicContact CG2-CG 4.22Å; I202-E225 HydrophobicContact CD1-CB 3.95Å; I202-E225 HydrophobicContact CD1-CG 4.41Å; I202-E225 HydrophobicContact CG2-CG 4.02Å
203	E	96.5	Very high	92	Very high	123 Å²	123	72.2 Å²	72.2	58%	0.575	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	127.5	173.8	-175.4	171.9	160.5	0	0	108.6	K177 I178 V179	K177-E203 VanDerWaalsContact CE-CD 3.43Å; K177-E203 WeakPolarHBondContact CE-OE1 3.48Å; K177-E203 IonicContact NZ-OE1 2.75Å; K177-E203 PolarHBondContact NZ-OE1 3.34Å; I178-E203 WeakPolarHBondContact O-CA 3.12Å; V179-E203 HydrophobicContact CG2-CG 4.45Å
204	R	94.3	Very high	92.2	Very high	101 Å²	101	67.2 Å²	67.2	38%	0.381	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	149.2	174.2	-50.9	-75.7	-71.9	-96.7	-5.8	109.2	I178 I202 I221 E225	I178-R204 HydrophobicContact CG2-CB 3.55Å; I178-R204 HydrophobicContact CG2-CG 4.31Å; I178-R204 WeakPolarHBondContact CG2-O 3.5Å; I178-R204 PolarHBondContact N-O 3.42Å; I178-R204 PolarHBondContact O-N 2.89Å; I202-R204 HydrophobicContact CG2-CG 4.22Å; R204-I221 HydrophobicContact CG-CG2 4.22Å; R204-E225 IonicContact CZ-OE1 3.67Å; R204-E225 IonicContact NH1-OE1 2.72Å; R204-E225 PolarHBondContact NH1-OE1 2.81Å
205	S	93.1	Very high	92.4	Very high	102 Å²	102	62.9 Å²	62.9	71%	0.713	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	141.3	166.8	-58.9	0	0	0	0	108.3
206	L	92.3	Very high	92.5	Very high	15 Å²	15	65.4 Å²	65.4	8%	0.079	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.2	179.5	69.3	90.8	0	0	0	110.4	Q175 A176 I178 F208 L214 V218 I221	Q175-L206 WeakPolarHBondContact CA-O 3.48Å; A176-L206 HydrophobicContact CB-CD1 3.92Å; A176-L206 HydrophobicContact CB-CG 4.06Å; A176-L206 PolarHBondContact N-O 3.12Å; A176-L206 PolarHBondContact O-N 3.06Å; I178-L206 HydrophobicContact CB-CD2 4.47Å; I178-L206 HydrophobicContact CG2-CD2 4.28Å; L206-F208 HydrophobicContact CD1-CB 4.25Å; L206-F208 HydrophobicContact CD1-CD1 3.89Å; L206-F208 HydrophobicContact CD1-CG 4.5Å; L206-L214 HydrophobicContact CD1-CD1 3.4Å; L206-L214 VanDerWaalsContact CD1-CD1 3.4Å; L206-L214 HydrophobicContact CD2-CD1 4.4Å; L206-L214 HydrophobicContact CG-CD1 4.49Å; L206-V218 HydrophobicContact CD2-CG2 3.94Å; L206-I221 HydrophobicContact CB-CD1 4.25Å; L206-I221 HydrophobicContact CD2-CD1 3.97Å
207	S	90.9	Very high	92.6	Very high	92 Å²	92	64.9 Å²	64.9	64%	0.643	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.4	170.6	55.5	0	0	0	0	109.7	H174	H174-S207 CarbonylContact O-C 3.55Å; H174-S207 WeakPolarHBondContact O-CA 3.35Å
208	F	90	Very high	92.7	Very high	11 Å²	11	61.4 Å²	61.4	5%	0.048	34%	0.343	C	S	.	.			trans	-138.7	151.1	-179.3	66.4	-84.1	0	0	0	111.3	I170 S173 H174 A176 L206 L214	I170-F208 HydrophobicContact CG2-CZ 4.17Å; S173-F208 WeakPolarHBondContact O-CE2 3.35Å; S173-F208 WeakPolarHBondContact O-CZ 3.22Å; H174-F208 VanDerWaalsContact CA-O 3.32Å; H174-F208 WeakPolarHBondContact CA-O 3.41Å; H174-F208 WeakPolarHBondContact CB-O 3.49Å; H174-F208 PolarHBondContact ND1-O 2.92Å; H174-F208 PolarHBondContact O-N 3.24Å; A176-F208 HydrophobicContact CB-CD1 4.23Å; A176-F208 HydrophobicContact CB-CE1 3.91Å; L206-F208 HydrophobicContact CD1-CB 4.25Å; L206-F208 HydrophobicContact CD1-CD1 3.89Å; L206-F208 HydrophobicContact CD1-CG 4.5Å; F208-L214 HydrophobicContact CB-CB 3.87Å; F208-L214 HydrophobicContact CB-CD1 4.2Å; F208-L214 HydrophobicContact CD1-CB 4.48Å; F208-L214 HydrophobicContact CD1-CD1 3.74Å; F208-L214 HydrophobicContact CD1-CD2 4.41Å; F208-L214 HydrophobicContact CD1-CG 4.43Å; F208-L214 HydrophobicContact CD2-CB 3.8Å; F208-L214 HydrophobicContact CD2-CD2 4.19Å; F208-L214 HydrophobicContact CD2-CG 4.39Å; F208-L214 HydrophobicContact CE1-CD1 4.22Å; F208-L214 HydrophobicContact CE1-CD2 4.27Å; F208-L214 HydrophobicContact CE2-CB 4.47Å; F208-L214 HydrophobicContact CE2-CD2 4.05Å; F208-L214 HydrophobicContact CG-CB 3.81Å; F208-L214 HydrophobicContact CG-CD1 3.9Å; F208-L214 HydrophobicContact CG-CD2 4.37Å; F208-L214 HydrophobicContact CG-CG 4.24Å; F208-L214 HydrophobicContact CZ-CD2 4.1Å
209	T	88.9	Confident	92.8	Very high	106 Å²	106	60 Å²	60	65%	0.65	34%	0.337	S	S	*	.	S	Bend	trans	-97.2	-37.5	-179.8	51.1	0	0	0	0	112.7
210	N	88.4	Confident	92.8	Very high	84 Å²	84	63.9 Å²	63.9	45%	0.449	35%	0.346	S	S	.	.	S	Bend	trans	-144.9	165.2	177.1	63.3	32.7	0	0	0	110.3	V212 N213 L214	N210-V212 PolarHBondContact O-N 2.97Å; N210-V212 PolarHBondContact OD1-N 2.99Å; N210-N213 PolarHBondContact O-N 3.48Å; N210-N213 WeakPolarHBondContact OD1-CB 3.26Å; N210-N213 PolarHBondContact OD1-N 3.38Å; N210-L214 PolarHBondContact O-N 3.36Å
211	D	83.8	Confident	92.9	Very high	64 Å²	64	61.7 Å²	61.7	34%	0.342	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-32.4	-177.1	-69.6	-1.6	0	0	0	112.7	K108 L214 W215	K108-D211 VanDerWaalsContact CE-OD2 3.28Å; K108-D211 WeakPolarHBondContact CE-OD2 3.07Å; D211-L214 WeakPolarHBondContact O-CB 3.37Å; D211-L214 PolarHBondContact O-N 2.95Å; D211-W215 PolarHBondContact O-N 3.19Å; D211-W215 VanDerWaalsContact O-N 3.17Å; D211-W215 PolarHBondContact O-NE1 2.79Å
212	V	88.1	Confident	93	Very high	97 Å²	97	56.8 Å²	56.8	59%	0.588	31%	0.306	S	S	*	.	H	α-helix	trans	-66.4	-45.7	178.5	-179.2	0	0	0	0	111	N210 L214 W215 Q216	N210-V212 PolarHBondContact O-N 2.97Å; N210-V212 PolarHBondContact OD1-N 2.99Å; V212-L214 VanDerWaalsContact C-N 3.32Å; V212-W215 PolarHBondContact O-N 2.87Å; V212-Q216 WeakPolarHBondContact O-CG 3.28Å; V212-Q216 PolarHBondContact O-N 2.81Å
213	N	91.9	Very high	93	Very high	57 Å²	57	56.9 Å²	56.9	31%	0.305	31%	0.31	S	S	.	.	H	α-helix	trans	-67	-35.1	177	-178.2	-87.6	0	0	0	111.4	N210 T217	N210-N213 PolarHBondContact O-N 3.48Å; N210-N213 WeakPolarHBondContact OD1-CB 3.26Å; N210-N213 PolarHBondContact OD1-N 3.38Å; N213-T217 VanDerWaalsContact O-CB 3.29Å; N213-T217 WeakPolarHBondContact O-CB 3.44Å; N213-T217 PolarHBondContact O-N 3.49Å; N213-T217 PolarHBondContact O-OG1 3.4Å
214	L	93.7	Very high	93	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-56.3	-54.7	174.1	172	60	0	0	0	111	I170 A176 L206 F208 N210 D211 V212 Q216 T217 V218	I170-L214 HydrophobicContact CD1-CD2 4.3Å; A176-L214 HydrophobicContact CB-CD1 4.17Å; L206-L214 HydrophobicContact CD1-CD1 3.4Å; L206-L214 VanDerWaalsContact CD1-CD1 3.4Å; L206-L214 HydrophobicContact CD2-CD1 4.4Å; L206-L214 HydrophobicContact CG-CD1 4.49Å; F208-L214 HydrophobicContact CB-CB 3.87Å; F208-L214 HydrophobicContact CB-CD1 4.2Å; F208-L214 HydrophobicContact CD1-CB 4.48Å; F208-L214 HydrophobicContact CD1-CD1 3.74Å; F208-L214 HydrophobicContact CD1-CD2 4.41Å; F208-L214 HydrophobicContact CD1-CG 4.43Å; F208-L214 HydrophobicContact CD2-CB 3.8Å; F208-L214 HydrophobicContact CD2-CD2 4.19Å; F208-L214 HydrophobicContact CD2-CG 4.39Å; F208-L214 HydrophobicContact CE1-CD1 4.22Å; F208-L214 HydrophobicContact CE1-CD2 4.27Å; F208-L214 HydrophobicContact CE2-CB 4.47Å; F208-L214 HydrophobicContact CE2-CD2 4.05Å; F208-L214 HydrophobicContact CG-CB 3.81Å; F208-L214 HydrophobicContact CG-CD1 3.9Å; F208-L214 HydrophobicContact CG-CD2 4.37Å; F208-L214 HydrophobicContact CG-CG 4.24Å; F208-L214 HydrophobicContact CZ-CD2 4.1Å; N210-L214 PolarHBondContact O-N 3.36Å; D211-L214 WeakPolarHBondContact O-CB 3.37Å; D211-L214 PolarHBondContact O-N 2.95Å; V212-L214 VanDerWaalsContact C-N 3.32Å; L214-Q216 PolarHBondContact O-N 3.34Å; L214-T217 PolarHBondContact O-N 3.47Å; L214-V218 HydrophobicContact CD1-CG2 4.04Å; L214-V218 VanDerWaalsContact O-CG2 3.32Å; L214-V218 WeakPolarHBondContact O-CG2 3.45Å; L214-V218 PolarHBondContact O-N 2.85Å
215	W	95	Very high	93.1	Very high	5 Å²	5	51 Å²	51	2%	0.019	29%	0.286	C	S	.	.	H	α-helix	trans	-67	-38.4	-176	-55.1	137	0	0	0	113.2	K108 L112 V115 F143 V168 D211 V212 T217 V218 V219	K108-W215 HydrophobicContact CB-CZ2 4.03Å; L112-W215 HydrophobicContact CB-CD2 3.8Å; L112-W215 HydrophobicContact CB-CE3 3.94Å; L112-W215 HydrophobicContact CB-CG 4.2Å; L112-W215 HydrophobicContact CB-CZ2 4.5Å; L112-W215 HydrophobicContact CB-CZ3 4.33Å; L112-W215 HydrophobicContact CD1-CB 4.37Å; L112-W215 HydrophobicContact CD1-CD2 4.11Å; L112-W215 HydrophobicContact CD1-CE3 3.66Å; L112-W215 HydrophobicContact CD1-CG 4.42Å; L112-W215 HydrophobicContact CD1-CZ3 4.34Å; L112-W215 HydrophobicContact CD2-CE3 3.94Å; L112-W215 HydrophobicContact CD2-CH2 4.37Å; L112-W215 HydrophobicContact CD2-CZ3 3.79Å; L112-W215 HydrophobicContact CG-CD2 4.38Å; L112-W215 HydrophobicContact CG-CE3 4.04Å; L112-W215 HydrophobicContact CG-CZ3 4.38Å; V115-W215 HydrophobicContact CG2-CB 4.19Å; F143-W215 HydrophobicContact CD1-CH2 4.43Å; F143-W215 AromaticContact CD2-CH2 3.56Å; F143-W215 HydrophobicContact CD2-CH2 3.56Å; F143-W215 HydrophobicContact CD2-CZ2 4.46Å; F143-W215 HydrophobicContact CD2-CZ3 4.32Å; F143-W215 AromaticContact CE2-CH2 3.79Å; F143-W215 HydrophobicContact CE2-CH2 3.79Å; F143-W215 HydrophobicContact CE2-CZ2 4.33Å; F143-W215 AromaticContact CG-CH2 3.91Å; F143-W215 HydrophobicContact CG-CH2 3.91Å; F143-W215 HydrophobicContact CG-CZ3 4.5Å; F143-W215 HydrophobicContact CZ-CH2 4.32Å; F143-W215 HydrophobicContact CZ-CZ2 4.49Å; V168-W215 HydrophobicContact CG1-CZ3 4.27Å; D211-W215 PolarHBondContact O-N 3.19Å; D211-W215 VanDerWaalsContact O-N 3.17Å; D211-W215 PolarHBondContact O-NE1 2.79Å; V212-W215 PolarHBondContact O-N 2.87Å; W215-T217 VanDerWaalsContact C-N 3.33Å; W215-T217 PolarHBondContact O-N 2.93Å; W215-V218 HydrophobicContact CE3-CG2 4.32Å; W215-V218 PolarHBondContact O-N 2.91Å; W215-V219 WeakPolarHBondContact O-CG2 3.49Å; W215-V219 PolarHBondContact O-N 3.17Å
216	Q	94.4	Very high	93.3	Very high	113 Å²	113	46.3 Å²	46.3	53%	0.528	25%	0.253	S	S	.	.	H	α-helix	trans	-60.9	-43.1	172.8	-71	177.7	-16.3	0	0	111.9	V212 L214 V219 K220	V212-Q216 WeakPolarHBondContact O-CG 3.28Å; V212-Q216 PolarHBondContact O-N 2.81Å; L214-Q216 PolarHBondContact O-N 3.34Å; Q216-V219 PolarHBondContact O-N 3.1Å; Q216-K220 WeakPolarHBondContact O-CB 3.44Å; Q216-K220 PolarHBondContact O-N 3.26Å
217	T	94.6	Very high	93.5	Very high	40 Å²	40	47.8 Å²	47.8	25%	0.245	27%	0.265	C	S	.	.	H	α-helix	trans	-66.3	-41.9	177.8	-59.4	0	0	0	0	111.5	N213 L214 W215 K220 I221	N213-T217 VanDerWaalsContact O-CB 3.29Å; N213-T217 WeakPolarHBondContact O-CB 3.44Å; N213-T217 PolarHBondContact O-N 3.49Å; N213-T217 PolarHBondContact O-OG1 3.4Å; L214-T217 PolarHBondContact O-N 3.47Å; W215-T217 VanDerWaalsContact C-N 3.33Å; W215-T217 PolarHBondContact O-N 2.93Å; T217-K220 PolarHBondContact O-N 3.3Å; T217-I221 HydrophobicContact CG2-CD1 4.06Å; T217-I221 WeakPolarHBondContact O-CG1 3.43Å; T217-I221 PolarHBondContact O-N 2.92Å
218	V	95.9	Very high	93.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-51.2	175	166.1	0	0	0	0	110.9	L112 V168 I178 L206 L214 W215 K220 I221 I222	L112-V218 HydrophobicContact CD1-CG1 4.23Å; V168-V218 HydrophobicContact CG1-CG2 4.18Å; V168-V218 HydrophobicContact CG2-CG1 3.84Å; V168-V218 HydrophobicContact CG2-CG2 3.94Å; I178-V218 HydrophobicContact CD1-CG1 4.19Å; L206-V218 HydrophobicContact CD2-CG2 3.94Å; L214-V218 HydrophobicContact CD1-CG2 4.04Å; L214-V218 VanDerWaalsContact O-CG2 3.32Å; L214-V218 WeakPolarHBondContact O-CG2 3.45Å; L214-V218 PolarHBondContact O-N 2.85Å; W215-V218 HydrophobicContact CE3-CG2 4.32Å; W215-V218 PolarHBondContact O-N 2.91Å; V218-K220 VanDerWaalsContact C-N 3.31Å; V218-K220 PolarHBondContact O-N 3.01Å; V218-I221 PolarHBondContact O-N 3.22Å; V218-I222 HydrophobicContact CG1-CD1 3.84Å; V218-I222 HydrophobicContact CG1-CG1 4.49Å; V218-I222 VanDerWaalsContact O-CG1 3.32Å; V218-I222 WeakPolarHBondContact O-CG1 3.25Å; V218-I222 PolarHBondContact O-N 2.84Å
219	V	96.3	Very high	94	Very high	20 Å²	20	46.7 Å²	46.7	12%	0.121	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-36.8	-179.9	173.4	0	0	0	0	112.1	V115 I116 Y119 W215 Q216 I222 G223	V115-V219 HydrophobicContact CB-CG2 3.84Å; V115-V219 HydrophobicContact CG1-CB 3.79Å; V115-V219 HydrophobicContact CG1-CG1 4.11Å; V115-V219 HydrophobicContact CG1-CG2 3.35Å; I116-V219 HydrophobicContact CD1-CG2 3.64Å; I116-V219 HydrophobicContact CG1-CG2 4.23Å; Y119-V219 HydrophobicContact CD2-CG1 4.04Å; Y119-V219 HydrophobicContact CG-CG1 4.02Å; W215-V219 WeakPolarHBondContact O-CG2 3.49Å; W215-V219 PolarHBondContact O-N 3.17Å; Q216-V219 PolarHBondContact O-N 3.1Å; V219-I222 PolarHBondContact O-N 2.92Å; V219-G223 PolarHBondContact O-N 2.86Å
220	K	95.7	Very high	94.3	Very high	137 Å²	137	48 Å²	48	60%	0.596	25%	0.251	S	S	*	.	H	α-helix	trans	-60.6	-46.8	172.8	-177.3	178.3	172.9	-178.7	0	112	Q216 T217 V218 I222 G223 E224	Q216-K220 WeakPolarHBondContact O-CB 3.44Å; Q216-K220 PolarHBondContact O-N 3.26Å; T217-K220 PolarHBondContact O-N 3.3Å; V218-K220 VanDerWaalsContact C-N 3.31Å; V218-K220 PolarHBondContact O-N 3.01Å; K220-I222 VanDerWaalsContact C-N 3.35Å; K220-I222 PolarHBondContact O-N 2.9Å; K220-G223 PolarHBondContact O-N 2.93Å; K220-E224 WeakPolarHBondContact CE-OE1 3.36Å; K220-E224 WeakPolarHBondContact O-CG 3.46Å; K220-E224 PolarHBondContact O-N 2.75Å
221	I	95.8	Very high	94.7	Very high	13 Å²	13	50 Å²	50	7%	0.067	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-44.3	177.3	-68.6	166.5	0	0	0	110.8	I178 R204 L206 T217 V218 E224 E225	I178-I221 HydrophobicContact CD1-CG2 4.24Å; I178-I221 HydrophobicContact CG2-CD1 4.42Å; I178-I221 HydrophobicContact CG2-CG2 4.33Å; R204-I221 HydrophobicContact CG-CG2 4.22Å; L206-I221 HydrophobicContact CB-CD1 4.25Å; L206-I221 HydrophobicContact CD2-CD1 3.97Å; T217-I221 HydrophobicContact CG2-CD1 4.06Å; T217-I221 WeakPolarHBondContact O-CG1 3.43Å; T217-I221 PolarHBondContact O-N 2.92Å; V218-I221 PolarHBondContact O-N 3.22Å; I221-E224 PolarHBondContact O-N 2.93Å; I221-E225 HydrophobicContact CG2-CG 4.3Å; I221-E225 WeakPolarHBondContact O-CB 3.37Å; I221-E225 WeakPolarHBondContact O-CG 3.39Å; I221-E225 PolarHBondContact O-N 3.42Å
222	I	96.9	Very high	95.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.3	-51.9	176.1	-68.1	171.8	0	0	0	109.7	I116 Y119 I147 W166 I178 V218 V219 K220 E224 E225 E226	I116-I222 HydrophobicContact CD1-CD1 3.77Å; Y119-I222 HydrophobicContact CD1-CG2 4.41Å; Y119-I222 HydrophobicContact CE1-CG2 3.76Å; I147-I222 HydrophobicContact CD1-CG2 4.33Å; W166-I222 HydrophobicContact CB-CD1 4.16Å; W166-I222 HydrophobicContact CB-CG1 4.49Å; W166-I222 HydrophobicContact CD2-CD1 4.24Å; W166-I222 HydrophobicContact CD2-CG1 3.66Å; W166-I222 HydrophobicContact CE3-CG1 4.09Å; W166-I222 HydrophobicContact CG-CD1 3.86Å; W166-I222 HydrophobicContact CG-CG1 3.83Å; W166-I222 HydrophobicContact CZ2-CB 4.35Å; W166-I222 HydrophobicContact CZ2-CG1 4.23Å; W166-I222 HydrophobicContact CZ2-CG2 4.18Å; I178-I222 HydrophobicContact CD1-CG1 4.3Å; V218-I222 HydrophobicContact CG1-CD1 3.84Å; V218-I222 HydrophobicContact CG1-CG1 4.49Å; V218-I222 VanDerWaalsContact O-CG1 3.32Å; V218-I222 WeakPolarHBondContact O-CG1 3.25Å; V218-I222 PolarHBondContact O-N 2.84Å; V219-I222 PolarHBondContact O-N 2.92Å; K220-I222 VanDerWaalsContact C-N 3.35Å; K220-I222 PolarHBondContact O-N 2.9Å; I222-E224 PolarHBondContact O-N 2.71Å; I222-E225 PolarHBondContact O-N 2.86Å; I222-E226 HydrophobicContact CG2-CG 4.24Å; I222-E226 WeakPolarHBondContact O-CB 3.48Å; I222-E226 VanDerWaalsContact O-CG 3.28Å; I222-E226 WeakPolarHBondContact O-CG 3.13Å; I222-E226 PolarHBondContact O-N 2.86Å
223	G	96.7	Very high	95.5	Very high	15 Å²	15	45.9 Å²	45.9	16%	0.155	24%	0.237	C	C	.	.	H	α-helix	trans	-58.6	-44.8	179.4	0	0	0	0	0	113.7	V219 K220 S227	V219-G223 PolarHBondContact O-N 2.86Å; K220-G223 PolarHBondContact O-N 2.93Å; G223-S227 WeakPolarHBondContact O-CB 2.97Å; G223-S227 PolarHBondContact O-N 2.93Å
224	E	96.6	Very high	95.7	Very high	80 Å²	80	45 Å²	45	37%	0.374	24%	0.242	S	C	.	.	H	α-helix	trans	-62.4	-48.5	177.4	-74.4	175.3	-177.3	0	0	111.9	K220 I221 I222 S227 N228	K220-E224 WeakPolarHBondContact CE-OE1 3.36Å; K220-E224 WeakPolarHBondContact O-CG 3.46Å; K220-E224 PolarHBondContact O-N 2.75Å; I221-E224 PolarHBondContact O-N 2.93Å; I222-E224 PolarHBondContact O-N 2.71Å; E224-S227 PolarHBondContact O-N 2.59Å; E224-N228 VanDerWaalsContact O-CB 3.32Å; E224-N228 WeakPolarHBondContact O-CB 3.37Å; E224-N228 PolarHBondContact O-N 2.98Å; E224-N228 PolarHBondContact O-ND2 3.3Å
225	E	96.7	Very high	95.7	Very high	19 Å²	19	50.3 Å²	50.3	9%	0.089	27%	0.27	C	S	.	.	H	α-helix	trans	-71.9	-35.5	-176.2	-72.6	-66.4	168.2	0	0	113.5	W166 K200 I202 R204 I221 I222 C229	W166-E225 HydrophobicContact CH2-CB 3.62Å; W166-E225 HydrophobicContact CH2-CG 4.14Å; W166-E225 HydrophobicContact CZ2-CB 4.26Å; K200-E225 IonicContact NZ-OE2 3.07Å; K200-E225 PolarHBondContact NZ-OE2 3.47Å; I202-E225 HydrophobicContact CD1-CB 3.95Å; I202-E225 HydrophobicContact CD1-CG 4.41Å; I202-E225 HydrophobicContact CG2-CG 4.02Å; R204-E225 IonicContact CZ-OE1 3.67Å; R204-E225 IonicContact NH1-OE1 2.72Å; R204-E225 PolarHBondContact NH1-OE1 2.81Å; I221-E225 HydrophobicContact CG2-CG 4.3Å; I221-E225 WeakPolarHBondContact O-CB 3.37Å; I221-E225 WeakPolarHBondContact O-CG 3.39Å; I221-E225 PolarHBondContact O-N 3.42Å; I222-E225 PolarHBondContact O-N 2.86Å; E225-C229 WeakPolarHBondContact O-CB 3.31Å; E225-C229 PolarHBondContact O-N 2.89Å
226	E	96.7	Very high	95.6	Very high	5 Å²	5	52 Å²	52	2%	0.023	28%	0.283	C	S	.	.	H	α-helix	trans	-69.3	-42.3	173.6	-67.8	-167.4	177.6	0	0	111.3	Y119 F124 W162 S164 W166 I182 I222 N228 C229 Q230	Y119-E226 PolarHBondContact OH-OE2 2.9Å; F124-E226 WeakPolarHBondContact CZ-OE2 3.21Å; W162-E226 HydrophobicContact CH2-CB 4.34Å; W162-E226 HydrophobicContact CZ2-CB 3.94Å; W162-E226 HydrophobicContact CZ2-CG 3.86Å; S164-E226 WeakPolarHBondContact CB-OE1 3.36Å; S164-E226 PolarHBondContact OG-OE1 2.95Å; W166-E226 HydrophobicContact CZ2-CG 3.95Å; W166-E226 PolarHBondContact NE1-OE1 2.93Å; I182-E226 HydrophobicContact CD1-CB 4.4Å; I182-E226 HydrophobicContact CD1-CG 3.74Å; I182-E226 HydrophobicContact CG1-CG 4.26Å; I222-E226 HydrophobicContact CG2-CG 4.24Å; I222-E226 WeakPolarHBondContact O-CB 3.48Å; I222-E226 VanDerWaalsContact O-CG 3.28Å; I222-E226 WeakPolarHBondContact O-CG 3.13Å; I222-E226 PolarHBondContact O-N 2.86Å; E226-N228 PolarHBondContact O-N 2.98Å; E226-C229 WeakPolarHBondContact O-CB 3.28Å; E226-C229 PolarHBondContact O-N 3.38Å; E226-Q230 PolarHBondContact O-N 3.48Å
227	S	96.6	Very high	95.5	Very high	45 Å²	45	49.6 Å²	49.6	32%	0.315	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-43.9	173.1	-171.9	0	0	0	0	111.8	G223 E224 C229 Q230 K231	G223-S227 WeakPolarHBondContact O-CB 2.97Å; G223-S227 PolarHBondContact O-N 2.93Å; E224-S227 PolarHBondContact O-N 2.59Å; S227-C229 VanDerWaalsContact C-N 3.32Å; S227-C229 PolarHBondContact O-N 3.37Å; S227-Q230 PolarHBondContact O-N 3.22Å; S227-K231 WeakPolarHBondContact O-CG 3.34Å; S227-K231 PolarHBondContact O-N 2.98Å
228	N	96.4	Very high	95.3	Very high	77 Å²	77	53.8 Å²	53.8	41%	0.412	29%	0.294	S	S	.	.	H	α-helix	trans	-63.2	-38.8	175.9	-71.8	-19.9	0	0	0	111.7	E224 E226 A232	E224-N228 VanDerWaalsContact O-CB 3.32Å; E224-N228 WeakPolarHBondContact O-CB 3.37Å; E224-N228 PolarHBondContact O-N 2.98Å; E224-N228 PolarHBondContact O-ND2 3.3Å; E226-N228 PolarHBondContact O-N 2.98Å; N228-A232 VanDerWaalsContact O-CB 3.26Å; N228-A232 WeakPolarHBondContact O-CB 3.26Å; N228-A232 PolarHBondContact O-N 2.99Å
229	C	95.1	Very high	95.1	Very high	3 Å²	3	61 Å²	61	2%	0.02	32%	0.321	C	S	.	.	H	α-helix	trans	-63.5	-45.2	174.8	-173.5	0	0	0	0	111.5	I182 K200 E225 E226 S227 A232 I233	I182-C229 HydrophobicContact CD1-CB 3.81Å; K200-C229 HydrophobicContact CD-CB 4.14Å; E225-C229 WeakPolarHBondContact O-CB 3.31Å; E225-C229 PolarHBondContact O-N 2.89Å; E226-C229 WeakPolarHBondContact O-CB 3.28Å; E226-C229 PolarHBondContact O-N 3.38Å; S227-C229 VanDerWaalsContact C-N 3.32Å; S227-C229 PolarHBondContact O-N 3.37Å; C229-A232 PolarHBondContact O-N 3.45Å; C229-I233 WeakPolarHBondContact O-CG1 3.37Å; C229-I233 PolarHBondContact O-N 3.2Å
230	Q	95.3	Very high	94.8	Very high	135 Å²	135	63.2 Å²	63.2	63%	0.631	33%	0.332	S	S	*	.	H	α-helix	trans	-60.9	-47	177.5	-176.8	-178.7	-4.8	0	0	112.1	E226 S227 I233 G234	E226-Q230 PolarHBondContact O-N 3.48Å; S227-Q230 PolarHBondContact O-N 3.22Å; Q230-I233 PolarHBondContact O-N 3.34Å; Q230-G234 PolarHBondContact O-N 2.95Å; Q230-G234 VanDerWaalsContact O-N 3.08Å
231	K	96.4	Very high	94.3	Very high	124 Å²	124	58.3 Å²	58.3	54%	0.539	32%	0.32	S	S	.	.	H	α-helix	trans	-59.7	-48.8	176	-70	172.9	-173.4	172.7	0	111.3	S227 I233 G234 D235	S227-K231 WeakPolarHBondContact O-CG 3.34Å; S227-K231 PolarHBondContact O-N 2.98Å; K231-I233 VanDerWaalsContact C-N 3.3Å; K231-I233 PolarHBondContact O-N 3.04Å; K231-G234 WeakPolarHBondContact O-CA 3.47Å; K231-G234 PolarHBondContact O-N 2.96Å; K231-D235 PolarHBondContact O-N 3.29Å
232	A	95.3	Very high	93.9	Very high	48 Å²	48	61 Å²	61	40%	0.397	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-35.3	-179.9	0	0	0	0	0	113.4	N228 C229 S236	N228-A232 VanDerWaalsContact O-CB 3.26Å; N228-A232 WeakPolarHBondContact O-CB 3.26Å; N228-A232 PolarHBondContact O-N 2.99Å; C229-A232 PolarHBondContact O-N 3.45Å; A232-S236 VanDerWaalsContact O-CB 3.24Å; A232-S236 WeakPolarHBondContact O-CB 3.24Å; A232-S236 PolarHBondContact O-N 3.44Å; A232-S236 PolarHBondContact O-OG 3.22Å
233	I	94.6	Very high	93.2	Very high	27 Å²	27	64.2 Å²	64.2	14%	0.138	36%	0.357	C	S	.	.	H	α-helix	trans	-65	-47.5	172.3	-71.3	166	0	0	0	110.2	V184 L196 N198 C229 Q230 K231 S236 C237	V184-I233 HydrophobicContact CB-CD1 4.22Å; V184-I233 HydrophobicContact CG2-CD1 3.83Å; L196-I233 HydrophobicContact CD1-CG2 4.19Å; N198-I233 HydrophobicContact CB-CD1 4.21Å; N198-I233 HydrophobicContact CB-CG1 4.42Å; N198-I233 VanDerWaalsContact ND2-CG1 3.28Å; N198-I233 WeakPolarHBondContact ND2-CG1 3.32Å; C229-I233 WeakPolarHBondContact O-CG1 3.37Å; C229-I233 PolarHBondContact O-N 3.2Å; Q230-I233 PolarHBondContact O-N 3.34Å; K231-I233 VanDerWaalsContact C-N 3.3Å; K231-I233 PolarHBondContact O-N 3.04Å; I233-S236 PolarHBondContact O-N 2.91Å; I233-C237 PolarHBondContact O-N 3.08Å; I233-C237 PolarHBondContact O-SG 3.25Å; I233-C237 VanDerWaalsContact O-SG 3.34Å
234	G	94.2	Very high	92.7	Very high	40 Å²	40	67.2 Å²	67.2	41%	0.412	37%	0.369	S	S	.	.	H	α-helix	trans	-57.2	-50.2	177.4	0	0	0	0	0	112.6	Q230 K231 S236 C237 H238	Q230-G234 PolarHBondContact O-N 2.95Å; Q230-G234 VanDerWaalsContact O-N 3.08Å; K231-G234 WeakPolarHBondContact O-CA 3.47Å; K231-G234 PolarHBondContact O-N 2.96Å; G234-S236 VanDerWaalsContact C-N 3.32Å; G234-S236 PolarHBondContact O-N 3.41Å; G234-C237 PolarHBondContact O-N 3.38Å; G234-H238 PolarHBondContact O-N 2.9Å
235	D	94.9	Very high	92.2	Very high	111 Å²	111	69.4 Å²	69.4	59%	0.594	38%	0.378	S	S	*	.	H	α-helix	trans	-62.7	-39.2	178.7	-63.4	-22.1	0	0	0	111.7	K231 H238 R239	K231-D235 PolarHBondContact O-N 3.29Å; D235-H238 PolarHBondContact O-N 2.88Å; D235-R239 WeakPolarHBondContact O-CB 3.4Å; D235-R239 PolarHBondContact O-N 2.75Å
236	S	93.1	Very high	91.6	Very high	40 Å²	40	74.9 Å²	74.9	28%	0.28	40%	0.398	S	S	.	.	H	α-helix	trans	-65.5	-42.3	177	-64.8	0	0	0	0	111.9	A232 I233 G234 R239 L240	A232-S236 VanDerWaalsContact O-CB 3.24Å; A232-S236 WeakPolarHBondContact O-CB 3.24Å; A232-S236 PolarHBondContact O-N 3.44Å; A232-S236 PolarHBondContact O-OG 3.22Å; I233-S236 PolarHBondContact O-N 2.91Å; G234-S236 VanDerWaalsContact C-N 3.32Å; G234-S236 PolarHBondContact O-N 3.41Å; S236-R239 PolarHBondContact O-N 3.29Å; S236-L240 WeakPolarHBondContact O-CB 3.24Å; S236-L240 WeakPolarHBondContact O-CD1 3.37Å; S236-L240 VanDerWaalsContact O-CG 3.24Å; S236-L240 WeakPolarHBondContact O-CG 3.47Å; S236-L240 PolarHBondContact O-N 3Å
237	C	90.8	Very high	91.1	Very high	62 Å²	62	77.9 Å²	77.9	42%	0.419	43%	0.429	S	S	.	.	H	α-helix	trans	-62	-43.1	174.8	-72.1	0	0	0	0	111.6	I233 G234 L240 G241	I233-C237 PolarHBondContact O-N 3.08Å; I233-C237 PolarHBondContact O-SG 3.25Å; I233-C237 VanDerWaalsContact O-SG 3.34Å; G234-C237 PolarHBondContact O-N 3.38Å; C237-L240 PolarHBondContact O-N 3.49Å; C237-G241 PolarHBondContact O-N 2.99Å
238	H	90.9	Very high	90.9	Very high	129 Å²	129	82.4 Å²	82.4	60%	0.597	45%	0.45	S	S	*	.	H	α-helix	trans	-63	-48	176.6	-176.8	55.1	0	0	0	111.7	G234 D235 L240 G241 D242	G234-H238 PolarHBondContact O-N 2.9Å; D235-H238 PolarHBondContact O-N 2.88Å; H238-L240 VanDerWaalsContact C-N 3.35Å; H238-L240 PolarHBondContact O-N 3.39Å; H238-G241 PolarHBondContact O-N 3.44Å; H238-D242 IonicContact CE1-OD2 2.86Å; H238-D242 PolarHBondContact CE1-OD2 3.04Å; H238-D242 IonicContact ND1-OD2 2.82Å; H238-D242 IonicContact NE2-OD2 3.21Å; H238-D242 PolarHBondContact NE2-OD2 3.46Å; H238-D242 PolarHBondContact O-N 3Å; H238-D242 VanDerWaalsContact O-N 3.13Å
239	R	91.4	Very high	90.6	Very high	150 Å²	150	89 Å²	89	57%	0.566	47%	0.469	S	S	*	.	H	α-helix	trans	-60.8	-39.7	177	-175.7	177	62.6	-162.6	-4.6	112.8	D235 S236 G241 D242 S243	D235-R239 WeakPolarHBondContact O-CB 3.4Å; D235-R239 PolarHBondContact O-N 2.75Å; S236-R239 PolarHBondContact O-N 3.29Å; R239-G241 VanDerWaalsContact C-N 3.32Å; R239-G241 PolarHBondContact O-N 3.11Å; R239-D242 PolarHBondContact O-N 3.01Å; R239-S243 PolarHBondContact O-N 3.12Å; R239-S243 PolarHBondContact O-OG 3.39Å
240	L	90.5	Very high	90.3	Very high	67 Å²	67	95.6 Å²	95.6	35%	0.351	49%	0.493	S	S	.	.	I	π-helix	trans	-59.2	-43.9	176.3	-80.3	163.4	0	0	0	111.5	S236 C237 H238 I244 F245	S236-L240 WeakPolarHBondContact O-CB 3.24Å; S236-L240 WeakPolarHBondContact O-CD1 3.37Å; S236-L240 VanDerWaalsContact O-CG 3.24Å; S236-L240 WeakPolarHBondContact O-CG 3.47Å; S236-L240 PolarHBondContact O-N 3Å; C237-L240 PolarHBondContact O-N 3.49Å; H238-L240 VanDerWaalsContact C-N 3.35Å; H238-L240 PolarHBondContact O-N 3.39Å; L240-I244 HydrophobicContact CD2-CB 4.14Å; L240-I244 HydrophobicContact CD2-CD1 3.51Å; L240-I244 HydrophobicContact CD2-CG1 4.38Å; L240-I244 HydrophobicContact CD2-CG2 4.16Å; L240-I244 HydrophobicContact CG-CD1 4.23Å; L240-I244 PolarHBondContact O-N 3.38Å; L240-F245 HydrophobicContact CB-CE2 4.39Å; L240-F245 WeakPolarHBondContact O-CD2 3.33Å; L240-F245 WeakPolarHBondContact O-CG 3.44Å; L240-F245 PolarHBondContact O-N 3.19Å
241	G	86.3	Confident	89.9	Confident	34 Å²	34	97.6 Å²	97.6	35%	0.351	50%	0.503	S	S	.	.	I	π-helix	trans	-62.6	-43.8	177.2	0	0	0	0	0	113.5	C237 H238 R239	C237-G241 PolarHBondContact O-N 2.99Å; H238-G241 PolarHBondContact O-N 3.44Å; R239-G241 VanDerWaalsContact C-N 3.32Å; R239-G241 PolarHBondContact O-N 3.11Å
242	D	85.7	Confident	89.6	Confident	69 Å²	69	95.5 Å²	95.5	37%	0.369	50%	0.497	S	S	.	.	I	π-helix	trans	-88.2	-35.6	-169.6	-80.5	-19	0	0	0	115.4	H238 R239 R246	H238-D242 IonicContact CE1-OD2 2.86Å; H238-D242 PolarHBondContact CE1-OD2 3.04Å; H238-D242 IonicContact ND1-OD2 2.82Å; H238-D242 IonicContact NE2-OD2 3.21Å; H238-D242 PolarHBondContact NE2-OD2 3.46Å; H238-D242 PolarHBondContact O-N 3Å; H238-D242 VanDerWaalsContact O-N 3.13Å; R239-D242 PolarHBondContact O-N 3.01Å; D242-R246 WeakPolarHBondContact O-CD 3.32Å; D242-R246 WeakPolarHBondContact O-CG 3.04Å; D242-R246 PolarHBondContact O-NE 3.1Å; D242-R246 VanDerWaalsContact O-NE 3.09Å; D242-R246 IonicContact OD1-CZ 2.88Å; D242-R246 IonicContact OD1-NH2 3.49Å; D242-R246 PolarHBondContact OD1-NH2 3.39Å
243	S	84	Confident	89.3	Confident	68 Å²	68	95.5 Å²	95.5	48%	0.476	49%	0.493	S	S	.	.	I	π-helix	trans	-110.7	-51	-176.2	65.4	0	0	0	0	112.8	R239 G247	R239-S243 PolarHBondContact O-N 3.12Å; R239-S243 PolarHBondContact O-OG 3.39Å; S243-G247 PolarHBondContact O-N 2.97Å
244	I	84.9	Confident	89.1	Confident	78 Å²	78	99.7 Å²	99.7	40%	0.4	52%	0.519	S	S	.	.	I	π-helix	trans	-72.3	-50.5	-168.4	-63.5	170.9	0	0	0	110.9	L240 R246 G247 L248	L240-I244 HydrophobicContact CD2-CB 4.14Å; L240-I244 HydrophobicContact CD2-CD1 3.51Å; L240-I244 HydrophobicContact CD2-CG1 4.38Å; L240-I244 HydrophobicContact CD2-CG2 4.16Å; L240-I244 HydrophobicContact CG-CD1 4.23Å; L240-I244 PolarHBondContact O-N 3.38Å; I244-R246 VanDerWaalsContact C-N 3.31Å; I244-R246 PolarHBondContact O-N 3.47Å; I244-G247 PolarHBondContact O-N 3.13Å; I244-G247 VanDerWaalsContact O-N 3.12Å; I244-L248 PolarHBondContact O-N 3.09Å; I244-L248 VanDerWaalsContact O-N 3.1Å
245	F	86.8	Confident	88.9	Confident	126 Å²	126	102.7 Å²	102.7	55%	0.553	53%	0.53	S	S	*	.	H	α-helix	trans	-65.4	-34.9	178.8	-67.8	-33.1	0	0	0	112.8	L240 G247 L248 R249	L240-F245 HydrophobicContact CB-CE2 4.39Å; L240-F245 WeakPolarHBondContact O-CD2 3.33Å; L240-F245 WeakPolarHBondContact O-CG 3.44Å; L240-F245 PolarHBondContact O-N 3.19Å; F245-G247 VanDerWaalsContact C-N 3.3Å; F245-G247 PolarHBondContact O-N 3.45Å; F245-L248 HydrophobicContact CD1-CD1 4.31Å; F245-L248 PolarHBondContact O-N 2.72Å; F245-R249 PolarHBondContact O-N 3.34Å; F245-R249 VanDerWaalsContact O-N 3.11Å
246	R	83.2	Confident	88.7	Confident	135 Å²	135	107.5 Å²	107.5	51%	0.509	54%	0.54	S	S	.	.	H	α-helix	trans	-66.9	-32.4	173.9	-60.4	-167.8	-159.5	170.8	5.3	112.5	D242 I244 R249	D242-R246 WeakPolarHBondContact O-CD 3.32Å; D242-R246 WeakPolarHBondContact O-CG 3.04Å; D242-R246 PolarHBondContact O-NE 3.1Å; D242-R246 VanDerWaalsContact O-NE 3.09Å; D242-R246 IonicContact OD1-CZ 2.88Å; D242-R246 IonicContact OD1-NH2 3.49Å; D242-R246 PolarHBondContact OD1-NH2 3.39Å; I244-R246 VanDerWaalsContact C-N 3.31Å; I244-R246 PolarHBondContact O-N 3.47Å; R246-R249 CarbonylContact O-C 3.57Å
247	G	87.8	Confident	88.6	Confident	67 Å²	67	108.5 Å²	108.5	69%	0.691	55%	0.546	S	S	*	.	H	α-helix	trans	-69.1	-35	174.7	0	0	0	0	0	113.5	S243 I244 F245	S243-G247 PolarHBondContact O-N 2.97Å; I244-G247 PolarHBondContact O-N 3.13Å; I244-G247 VanDerWaalsContact O-N 3.12Å; F245-G247 VanDerWaalsContact C-N 3.3Å; F245-G247 PolarHBondContact O-N 3.45Å
248	L	91.8	Very high	88.7	Confident	141 Å²	141	114.3 Å²	114.3	74%	0.738	56%	0.564	S	S	*	*	H	α-helix	trans	-73.3	-50	177	-70	174.8	0	0	0	112.4	I244 F245	I244-L248 PolarHBondContact O-N 3.09Å; I244-L248 VanDerWaalsContact O-N 3.1Å; F245-L248 HydrophobicContact CD1-CD1 4.31Å; F245-L248 PolarHBondContact O-N 2.72Å
249	R	89.9	Confident	88.7	Confident	215 Å²	215	112.1 Å²	112.1	81%	0.811	56%	0.556	S	S	*	*	S	Bend	trans	-143.2	115.6	178.2	-175.4	179.6	176.3	-141.5	0.9	109.3	F245 R246	F245-R249 PolarHBondContact O-N 3.34Å; F245-R249 VanDerWaalsContact O-N 3.11Å; R246-R249 CarbonylContact O-C 3.57Å
250	R	87.5	Confident	88.5	Confident	142 Å²	142	108.2 Å²	108.2	54%	0.536	55%	0.547	S	S	.	.			trans	-62.9	143.6	172.2	-57.4	172.9	61.2	96.5	0	109.7	L252	R250-L252 WeakPolarHBondContact CB-O 3.36Å; R250-L252 PolarHBondContact NE-O 3.12Å; R250-L252 VanDerWaalsContact NE-O 3.12Å; R250-L252 PolarHBondContact O-N 3.07Å
251	Q	87.1	Confident	88.4	Confident	177 Å²	177	113.1 Å²	113.1	83%	0.827	56%	0.561	S	S	*	*	S	Bend	trans	-62.8	-33.9	172.8	-69.3	179.1	-14.4	0	0	112
252	L	90.6	Very high	88.3	Confident	79 Å²	79	115.6 Å²	115.6	41%	0.414	57%	0.57	S	S	.	*	S	Bend	trans	-136.4	154	173.5	-70.3	172.3	0	0	0	110.6	R250	R250-L252 WeakPolarHBondContact CB-O 3.36Å; R250-L252 PolarHBondContact NE-O 3.12Å; R250-L252 VanDerWaalsContact NE-O 3.12Å; R250-L252 PolarHBondContact O-N 3.07Å
253	P	89.8	Confident	88.1	Confident	48 Å²	48	118.9 Å²	118.9	31%	0.312	58%	0.582	S	S	.	*			trans	-48.5	163.8	164.8	-26.3	34.2	0	0	0	112.9	T255 R256 S257 I259	P253-T255 PolarHBondContact O-N 3.15Å; P253-T255 VanDerWaalsContact O-N 3.14Å; P253-R256 PolarHBondContact O-N 3.47Å; P253-S257 VanDerWaalsContact CD-O 3.25Å; P253-S257 WeakPolarHBondContact CD-O 3.25Å; P253-S257 WeakPolarHBondContact CG-O 3.15Å; P253-I259 HydrophobicContact CG-CG1 3.89Å
254	V	90.1	Very high	87.9	Confident	115 Å²	115	120.9 Å²	120.9	70%	0.697	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-32.2	179.5	179.7	0	0	0	0	111.9	R256	V254-R256 PolarHBondContact O-N 3.44Å; V254-R256 VanDerWaalsContact O-N 3.16Å
255	T	90.7	Very high	87.6	Confident	103 Å²	103	123.9 Å²	123.9	63%	0.632	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-11.3	175.6	59.8	0	0	0	0	114.5	P253 S257	P253-T255 PolarHBondContact O-N 3.15Å; P253-T255 VanDerWaalsContact O-N 3.14Å; T255-S257 WeakPolarHBondContact CB-OG 3.43Å; T255-S257 PolarHBondContact O-N 3.48Å; T255-S257 PolarHBondContact OG1-N 3.34Å; T255-S257 PolarHBondContact OG1-OG 3.32Å
256	R	90.8	Very high	87	Confident	213 Å²	213	124.5 Å²	124.5	80%	0.804	61%	0.611	S	S	*	*	S	Bend	trans	57.9	25.1	-173.6	-54.4	-179.9	178.6	174.8	-1	113.7	P253 V254	P253-R256 PolarHBondContact O-N 3.47Å; V254-R256 PolarHBondContact O-N 3.44Å; V254-R256 VanDerWaalsContact O-N 3.16Å
257	S	90.5	Very high	86.2	Confident	60 Å²	60	123.5 Å²	123.5	42%	0.42	61%	0.608	S	S	.	*	S	Bend	trans	-122.9	154.5	174.1	58	0	0	0	0	110.3	P253 T255	P253-S257 VanDerWaalsContact CD-O 3.25Å; P253-S257 WeakPolarHBondContact CD-O 3.25Å; P253-S257 WeakPolarHBondContact CG-O 3.15Å; T255-S257 WeakPolarHBondContact CB-OG 3.43Å; T255-S257 PolarHBondContact O-N 3.48Å; T255-S257 PolarHBondContact OG1-N 3.34Å; T255-S257 PolarHBondContact OG1-OG 3.32Å
258	K	92.7	Very high	85.2	Confident	184 Å²	184	128.3 Å²	128.3	80%	0.8	61%	0.61	S	S	*	*			trans	-60.7	150	167.4	-70.4	-177.7	179.2	178.4	0	109	D260	K258-D260 PolarHBondContact O-N 3.42Å
259	I	89.9	Confident	83.9	Confident	84 Å²	84	126 Å²	126	43%	0.431	60%	0.602	S	S	.	*			trans	-59.3	126.1	177.5	-62.8	174.9	0	0	0	108.8	P253 W261	P253-I259 HydrophobicContact CG-CG1 3.89Å; I259-W261 HydrophobicContact CB-CZ2 4.49Å; I259-W261 HydrophobicContact CD1-CH2 4.37Å; I259-W261 HydrophobicContact CG2-CD2 3.99Å; I259-W261 HydrophobicContact CG2-CE3 4.04Å; I259-W261 HydrophobicContact CG2-CG 4.46Å; I259-W261 HydrophobicContact CG2-CZ3 4.35Å; I259-W261 PolarHBondContact O-N 3.21Å; I259-W261 VanDerWaalsContact O-N 3.15Å
260	D	87.3	Confident	82.6	Confident	67 Å²	67	119.6 Å²	119.6	36%	0.358	60%	0.602	S	S	.	*			trans	-80.2	88	170.2	-171.9	-24.2	0	0	0	107.8	K258 P262 K263 L264	K258-D260 PolarHBondContact O-N 3.42Å; D260-P262 VanDerWaalsContact OD1-CD 3.27Å; D260-P262 WeakPolarHBondContact OD1-CD 3.49Å; D260-K263 HydrophobicContact CB-CB 4.11Å; D260-K263 HydrophobicContact CB-CD 4.12Å; D260-K263 HydrophobicContact CB-CG 4.27Å; D260-K263 PolarHBondContact O-N 3.29Å; D260-K263 VanDerWaalsContact O-N 3.13Å; D260-K263 PolarHBondContact OD1-N 3.25Å; D260-K263 WeakPolarHBondContact OD2-CD 3.33Å; D260-K263 WeakPolarHBondContact OD2-CE 3.03Å; D260-K263 WeakPolarHBondContact OD2-CG 3.49Å; D260-K263 IonicContact OD2-NZ 2.68Å; D260-K263 PolarHBondContact OD2-NZ 2.88Å; D260-L264 PolarHBondContact O-N 3.46Å; D260-L264 VanDerWaalsContact O-N 3.13Å
261	W	88.1	Confident	81.3	Confident	170 Å²	170	117.8 Å²	117.8	64%	0.644	61%	0.607	S	S	*	*	H	α-helix	trans	-55.7	-42.1	-176.8	-62.6	107.7	0	0	0	113.3	I259 K263 L264 I265	I259-W261 HydrophobicContact CB-CZ2 4.49Å; I259-W261 HydrophobicContact CD1-CH2 4.37Å; I259-W261 HydrophobicContact CG2-CD2 3.99Å; I259-W261 HydrophobicContact CG2-CE3 4.04Å; I259-W261 HydrophobicContact CG2-CG 4.46Å; I259-W261 HydrophobicContact CG2-CZ3 4.35Å; I259-W261 PolarHBondContact O-N 3.21Å; I259-W261 VanDerWaalsContact O-N 3.15Å; W261-K263 VanDerWaalsContact C-N 3.34Å; W261-K263 PolarHBondContact O-N 3.13Å; W261-L264 HydrophobicContact CE3-CD2 4.05Å; W261-L264 HydrophobicContact CZ3-CD2 4.1Å; W261-L264 WeakPolarHBondContact O-CB 3.27Å; W261-L264 PolarHBondContact O-N 3.13Å; W261-I265 PolarHBondContact O-N 3.16Å
262	P	85.7	Confident	79.9	Confident	86 Å²	86	115.9 Å²	115.9	56%	0.558	60%	0.598	S	S	*	*	H	α-helix	trans	-57.2	-41.4	173	-27.5	34.4	0	0	0	114.2	D260 I265	D260-P262 VanDerWaalsContact OD1-CD 3.27Å; D260-P262 WeakPolarHBondContact OD1-CD 3.49Å; P262-I265 PolarHBondContact O-N 2.91Å
263	K	80.9	Confident	78.3	Confident	139 Å²	139	118.6 Å²	118.6	60%	0.604	61%	0.612	S	S	*	*	H	α-helix	trans	-65	-39.8	176.3	-76.3	-177	-171.6	143.7	0	112	D260 W261 I265 N266 Y267	D260-K263 HydrophobicContact CB-CB 4.11Å; D260-K263 HydrophobicContact CB-CD 4.12Å; D260-K263 HydrophobicContact CB-CG 4.27Å; D260-K263 PolarHBondContact O-N 3.29Å; D260-K263 VanDerWaalsContact O-N 3.13Å; D260-K263 PolarHBondContact OD1-N 3.25Å; D260-K263 WeakPolarHBondContact OD2-CD 3.33Å; D260-K263 WeakPolarHBondContact OD2-CE 3.03Å; D260-K263 WeakPolarHBondContact OD2-CG 3.49Å; D260-K263 IonicContact OD2-NZ 2.68Å; D260-K263 PolarHBondContact OD2-NZ 2.88Å; W261-K263 VanDerWaalsContact C-N 3.34Å; W261-K263 PolarHBondContact O-N 3.13Å; K263-I265 VanDerWaalsContact C-N 3.28Å; K263-I265 PolarHBondContact O-N 2.98Å; K263-N266 PolarHBondContact O-N 3.35Å; K263-Y267 WeakPolarHBondContact O-CB 3.1Å; K263-Y267 PolarHBondContact O-N 3.33Å
264	L	80.1	Confident	76.4	Confident	109 Å²	109	125 Å²	125	57%	0.571	64%	0.635	S	S	*	*	H	α-helix	trans	-58.5	-38.8	-179.7	-165	82.2	0	0	0	112.4	D260 W261 N266 Y267	D260-L264 PolarHBondContact O-N 3.46Å; D260-L264 VanDerWaalsContact O-N 3.13Å; W261-L264 HydrophobicContact CE3-CD2 4.05Å; W261-L264 HydrophobicContact CZ3-CD2 4.1Å; W261-L264 WeakPolarHBondContact O-CB 3.27Å; W261-L264 PolarHBondContact O-N 3.13Å; L264-N266 VanDerWaalsContact C-N 3.3Å; L264-N266 PolarHBondContact O-N 3.22Å; L264-Y267 PolarHBondContact O-N 3.14Å
265	I	78.4	Confident	74.8	Confident	142 Å²	142	125.3 Å²	125.3	73%	0.728	64%	0.639	S	S	*	*	H	α-helix	trans	-66.2	-33.9	-179.1	-64.9	167.3	0	0	0	111.7	W261 P262 K263	W261-I265 PolarHBondContact O-N 3.16Å; P262-I265 PolarHBondContact O-N 2.91Å; K263-I265 VanDerWaalsContact C-N 3.28Å; K263-I265 PolarHBondContact O-N 2.98Å
266	N	74.3	Confident	72.4	Confident	139 Å²	139	133.1 Å²	133.1	74%	0.743	67%	0.669	S	S	*	*	H	α-helix	trans	-99.3	-1.8	-176.6	-66	-29.2	0	0	0	113.4	K263 L264 K268	K263-N266 PolarHBondContact O-N 3.35Å; L264-N266 VanDerWaalsContact C-N 3.3Å; L264-N266 PolarHBondContact O-N 3.22Å; N266-K268 PolarHBondContact O-N 3.02Å
267	Y	65.3	Low	71.5	Confident	113 Å²	113	129.2 Å²	129.2	44%	0.443	66%	0.662	S	S	.	*			trans	-78.5	111.9	-172	-158.2	-106	0	0	0	112.1	K263 L264 V269 E272	K263-Y267 WeakPolarHBondContact O-CB 3.1Å; K263-Y267 PolarHBondContact O-N 3.33Å; L264-Y267 PolarHBondContact O-N 3.14Å; Y267-V269 HydrophobicContact CD1-CG2 3.85Å; Y267-V269 HydrophobicContact CE1-CG2 4.31Å; Y267-V269 PolarHBondContact O-N 3.19Å; Y267-E272 WeakPolarHBondContact CE2-OE2 3.39Å; Y267-E272 PolarHBondContact OH-OE2 3.04Å; Y267-E272 VanDerWaalsContact OH-OE2 3.04Å
268	K	66.9	Low	70.5	Confident	168 Å²	168	132.8 Å²	132.8	73%	0.73	68%	0.675	S	S	*	*			trans	-87	94.6	167.8	-72.1	-174.1	-179.8	-179.8	0	109.6	N266 G270 T271	N266-K268 PolarHBondContact O-N 3.02Å; K268-G270 PolarHBondContact O-N 2.86Å; K268-T271 WeakPolarHBondContact CB-OG1 3.48Å; K268-T271 PolarHBondContact O-N 3.03Å; K268-T271 VanDerWaalsContact O-N 3.16Å; K268-T271 PolarHBondContact O-OG1 3.16Å
269	V	64.6	Low	69.2	Low	94 Å²	94	129.9 Å²	129.9	57%	0.57	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.6	-27.9	-177.5	-179.6	0	0	0	0	113.5	Y267 L273	Y267-V269 HydrophobicContact CD1-CG2 3.85Å; Y267-V269 HydrophobicContact CE1-CG2 4.31Å; Y267-V269 PolarHBondContact O-N 3.19Å; V269-L273 HydrophobicContact CG1-CD1 4.12Å
270	G	62.8	Low	68	Low	79 Å²	79	132.6 Å²	132.6	81%	0.814	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-16.2	-176.7	0	0	0	0	0	116.5	K268	K268-G270 PolarHBondContact O-N 2.86Å
271	T	60.8	Low	66.8	Low	104 Å²	104	136.8 Å²	136.8	64%	0.638	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-21.1	-170.1	12.2	0	0	0	0	115	K268	K268-T271 WeakPolarHBondContact CB-OG1 3.48Å; K268-T271 PolarHBondContact O-N 3.03Å; K268-T271 VanDerWaalsContact O-N 3.16Å; K268-T271 PolarHBondContact O-OG1 3.16Å
272	E	58.7	Low	65.4	Low	138 Å²	138	134.5 Å²	134.5	65%	0.645	71%	0.706	S	S	*	*	S	Bend	trans	-109.5	-3.5	-174.3	-68.4	-160.3	164	0	0	115.1	Y267 K274	Y267-E272 WeakPolarHBondContact CE2-OE2 3.39Å; Y267-E272 PolarHBondContact OH-OE2 3.04Å; Y267-E272 VanDerWaalsContact OH-OE2 3.04Å; E272-K274 PolarHBondContact O-N 3.35Å
273	L	56.5	Low	63.9	Low	135 Å²	135	138 Å²	138	71%	0.707	72%	0.716	S	S	*	*			trans	-82.2	19.8	175.7	-78	167.8	0	0	0	113.9	V269 P275	V269-L273 HydrophobicContact CG1-CD1 4.12Å; L273-P275 WeakPolarHBondContact O-CD 3.39Å
274	K	49.5	Very low	62.6	Low	183 Å²	183	137.9 Å²	137.9	80%	0.796	73%	0.725	S	S	*	*			trans	-70.5	121.7	171.3	-82	-172.9	177.3	-179.2	0	108.8	E272 Q276	E272-K274 PolarHBondContact O-N 3.35Å; K274-Q276 PolarHBondContact O-N 3.22Å
275	P	55.7	Low	61.2	Low	122 Å²	122	140.3 Å²	140.3	79%	0.792	74%	0.738	S	S	*	*			trans	-64.7	129.6	169.9	28.5	-30.3	0	0	0	107.9	L273	L273-P275 WeakPolarHBondContact O-CD 3.39Å
276	Q	40.9	Very low	59.6	Low	267 Å²	267	140.2 Å²	140.2	100%	1.248	74%	0.739	S	S	*	*			trans	-74.4	0	149.6	-80.5	-174	-13.6	0	0	108.3	K274	K274-Q276 PolarHBondContact O-N 3.22Å

Retrieved 276 of 276 residues in 1046.3 ms (Link to these results)

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