G4VK54_SCHMA Loading...

Integrin alpha FG-GAP repeat containing 1

AlphaFold DB , UniProt , Accession G4VK54, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 793 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	50.4	Low	59	Low	180 Å²	180	108.3 Å²	108.3	89%	0.887	57%	0.571	S	S	*	*				0	-55.3	0	-152	-178.9	157.6	0	0	111.6	L3 I4 I5	M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 2.73Å; M1-I4 PolarHBondContact O-N 3.09Å; M1-I5 HydrophobicContact CE-CD1 4.31Å; M1-I5 HydrophobicContact CG-CD1 4.45Å; M1-I5 PolarHBondContact O-N 3.06Å; M1-I5 VanDerWaalsContact O-N 3.13Å
2	N	59.9	Low	57.9	Low	134 Å²	134	111.8 Å²	111.8	72%	0.717	58%	0.581	S	S	*	*	H	α-helix	trans	-55.7	-39.6	175.5	-78.2	-8.1	0	0	0	114.3	I4 I5 T6	N2-I4 VanDerWaalsContact C-N 3.28Å; N2-I4 PolarHBondContact O-N 2.79Å; N2-I5 PolarHBondContact O-N 3.39Å; N2-T6 PolarHBondContact O-N 3.21Å; N2-T6 PolarHBondContact O-OG1 3.5Å
3	L	59.6	Low	56.7	Low	146 Å²	146	116.8 Å²	116.8	76%	0.764	60%	0.596	S	S	*	*	H	α-helix	trans	-64.9	-29.6	177.3	-148.9	100.6	0	0	0	113.6	M1 T6 F7	M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 2.73Å; L3-T6 WeakPolarHBondContact CA-OG1 2.81Å; L3-T6 PolarHBondContact O-OG1 3.35Å; L3-F7 VanDerWaalsContact O-CB 3.26Å; L3-F7 WeakPolarHBondContact O-CB 3.44Å; L3-F7 PolarHBondContact O-N 3.06Å; L3-F7 VanDerWaalsContact O-N 3.09Å
4	I	69.2	Low	55.3	Low	109 Å²	109	118.4 Å²	118.4	56%	0.559	61%	0.606	S	S	*	*	H	α-helix	trans	-78.4	-39	179	-66	170.1	0	0	0	109.7	M1 N2 F7 L8	M1-I4 PolarHBondContact O-N 3.09Å; N2-I4 VanDerWaalsContact C-N 3.28Å; N2-I4 PolarHBondContact O-N 2.79Å; I4-F7 PolarHBondContact O-N 3.47Å; I4-L8 HydrophobicContact CG2-CD1 3.83Å; I4-L8 WeakPolarHBondContact O-CB 3.24Å; I4-L8 WeakPolarHBondContact O-CG 3.27Å; I4-L8 PolarHBondContact O-N 3.24Å
5	I	69.7	Low	54	Low	90 Å²	90	118.3 Å²	118.3	46%	0.462	61%	0.606	S	S	.	*	H	α-helix	trans	-66.4	-44.6	177.4	-63.7	169.3	0	0	0	110.2	M1 N2 L8 S9	M1-I5 HydrophobicContact CE-CD1 4.31Å; M1-I5 HydrophobicContact CG-CD1 4.45Å; M1-I5 PolarHBondContact O-N 3.06Å; M1-I5 VanDerWaalsContact O-N 3.13Å; N2-I5 PolarHBondContact O-N 3.39Å; I5-L8 PolarHBondContact O-N 3.39Å; I5-S9 WeakPolarHBondContact O-CB 3.31Å; I5-S9 PolarHBondContact O-N 3.45Å; I5-S9 PolarHBondContact O-OG 3.06Å
6	T	62.4	Low	52.6	Low	78 Å²	78	116.3 Å²	116.3	48%	0.479	61%	0.605	S	S	.	*	H	α-helix	trans	-66.6	-37.6	175.4	40.5	0	0	0	0	112.4	N2 L3 S9 V10	N2-T6 PolarHBondContact O-N 3.21Å; N2-T6 PolarHBondContact O-OG1 3.5Å; L3-T6 WeakPolarHBondContact CA-OG1 2.81Å; L3-T6 PolarHBondContact O-OG1 3.35Å; T6-S9 WeakPolarHBondContact CA-OG 3.31Å; T6-S9 PolarHBondContact O-N 3.47Å; T6-S9 PolarHBondContact O-OG 3.03Å; T6-V10 WeakPolarHBondContact O-CB 3.24Å; T6-V10 WeakPolarHBondContact O-CG2 3.3Å; T6-V10 PolarHBondContact O-N 3.3Å
7	F	65.1	Low	51.4	Low	142 Å²	142	114.9 Å²	114.9	62%	0.623	61%	0.606	S	S	*	*	H	α-helix	trans	-65.8	-42	175.3	-166.2	-95.8	0	0	0	111.8	L3 I4 L11	L3-F7 VanDerWaalsContact O-CB 3.26Å; L3-F7 WeakPolarHBondContact O-CB 3.44Å; L3-F7 PolarHBondContact O-N 3.06Å; L3-F7 VanDerWaalsContact O-N 3.09Å; I4-F7 PolarHBondContact O-N 3.47Å; F7-L11 WeakPolarHBondContact O-CB 3.4Å; F7-L11 PolarHBondContact O-N 3.25Å
8	L	59.4	Low	50.1	Low	104 Å²	104	115 Å²	115	55%	0.545	62%	0.616	S	S	.	*	H	α-helix	trans	-66.8	-40	175.6	-80.4	162.1	0	0	0	112.4	I4 I5 L11 H12	I4-L8 HydrophobicContact CG2-CD1 3.83Å; I4-L8 WeakPolarHBondContact O-CB 3.24Å; I4-L8 WeakPolarHBondContact O-CG 3.27Å; I4-L8 PolarHBondContact O-N 3.24Å; I5-L8 PolarHBondContact O-N 3.39Å; L8-L11 PolarHBondContact O-N 3Å; L8-H12 WeakPolarHBondContact O-CB 3.19Å; L8-H12 PolarHBondContact O-N 3Å
9	S	54.8	Low	49.1	Very low	53 Å²	53	113.7 Å²	113.7	37%	0.371	60%	0.602	S	S	.	*	H	α-helix	trans	-69.8	-37.6	177.8	66.2	0	0	0	0	112	I5 T6 H12 F13	I5-S9 WeakPolarHBondContact O-CB 3.31Å; I5-S9 PolarHBondContact O-N 3.45Å; I5-S9 PolarHBondContact O-OG 3.06Å; T6-S9 WeakPolarHBondContact CA-OG 3.31Å; T6-S9 PolarHBondContact O-N 3.47Å; T6-S9 PolarHBondContact O-OG 3.03Å; S9-H12 PolarHBondContact O-N 3.45Å; S9-F13 WeakPolarHBondContact O-CB 3.42Å; S9-F13 PolarHBondContact O-N 2.89Å
10	V	53.8	Low	48	Very low	73 Å²	73	114.3 Å²	114.3	44%	0.442	61%	0.61	S	S	.	*	H	α-helix	trans	-70.6	-35.8	175.3	170.3	0	0	0	0	110.7	T6 F13 L14	T6-V10 WeakPolarHBondContact O-CB 3.24Å; T6-V10 WeakPolarHBondContact O-CG2 3.3Å; T6-V10 PolarHBondContact O-N 3.3Å; V10-F13 PolarHBondContact O-N 3.15Å; V10-L14 HydrophobicContact CG1-CD1 3.42Å; V10-L14 VanDerWaalsContact CG1-CD1 3.42Å; V10-L14 HydrophobicContact CG1-CG 4.19Å; V10-L14 VanDerWaalsContact O-CB 3.26Å; V10-L14 WeakPolarHBondContact O-CB 3.33Å; V10-L14 WeakPolarHBondContact O-CG 3.45Å; V10-L14 PolarHBondContact O-N 2.86Å
11	L	44.7	Very low	47.2	Very low	82 Å²	82	114.3 Å²	114.3	43%	0.429	61%	0.605	S	S	.	*	H	α-helix	trans	-67	-37.1	172	-164.2	72.6	0	0	0	111.3	F7 L8 L15	F7-L11 WeakPolarHBondContact O-CB 3.4Å; F7-L11 PolarHBondContact O-N 3.25Å; L8-L11 PolarHBondContact O-N 3Å; L11-L15 HydrophobicContact CD1-CD1 3.52Å; L11-L15 HydrophobicContact CG-CD1 3.84Å; L11-L15 VanDerWaalsContact O-CB 3.31Å; L11-L15 WeakPolarHBondContact O-CB 3.23Å; L11-L15 PolarHBondContact O-N 2.72Å; L11-L15 VanDerWaalsContact O-N 3.08Å
12	H	45.7	Very low	46	Very low	151 Å²	151	113.3 Å²	113.3	70%	0.699	60%	0.602	S	S	*	*	H	α-helix	trans	-67.2	-35.6	172.3	-122.4	48.9	0	0	0	112.8	L8 S9	L8-H12 WeakPolarHBondContact O-CB 3.19Å; L8-H12 PolarHBondContact O-N 3Å; S9-H12 PolarHBondContact O-N 3.45Å
13	F	42.9	Very low	44.3	Very low	177 Å²	177	114 Å²	114	78%	0.776	60%	0.604	S	S	*	*	H	α-helix	trans	-79.6	-38.5	179.3	-105.2	-86.7	0	0	0	113.3	S9 V10	S9-F13 WeakPolarHBondContact O-CB 3.42Å; S9-F13 PolarHBondContact O-N 2.89Å; V10-F13 PolarHBondContact O-N 3.15Å
14	L	37	Very low	42.7	Very low	139 Å²	139	112.4 Å²	112.4	73%	0.728	60%	0.603	S	S	*	*	H	α-helix	trans	-80.4	-20.3	179.6	-74.8	167.2	0	0	0	113	V10	V10-L14 HydrophobicContact CG1-CD1 3.42Å; V10-L14 VanDerWaalsContact CG1-CD1 3.42Å; V10-L14 HydrophobicContact CG1-CG 4.19Å; V10-L14 VanDerWaalsContact O-CB 3.26Å; V10-L14 WeakPolarHBondContact O-CB 3.33Å; V10-L14 WeakPolarHBondContact O-CG 3.45Å; V10-L14 PolarHBondContact O-N 2.86Å
15	L	35.2	Very low	40.6	Very low	117 Å²	117	116.3 Å²	116.3	61%	0.613	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	52.4	173.3	-64.5	156.8	0	0	0	109.9	L11	L11-L15 HydrophobicContact CD1-CD1 3.52Å; L11-L15 HydrophobicContact CG-CD1 3.84Å; L11-L15 VanDerWaalsContact O-CB 3.31Å; L11-L15 WeakPolarHBondContact O-CB 3.23Å; L11-L15 PolarHBondContact O-N 2.72Å; L11-L15 VanDerWaalsContact O-N 3.08Å
16	S	32	Very low	38.6	Very low	85 Å²	85	114.2 Å²	114.2	59%	0.594	61%	0.61	S	S	*	*	S	Bend	trans	-58.6	129.2	149.6	-73.3	0	0	0	0	106.9	C18	S16-C18 PolarHBondContact O-N 3.41Å
17	P	32.1	Very low	36.9	Very low	94 Å²	94	114.7 Å²	114.7	61%	0.61	61%	0.608	S	S	*	*			trans	-76.7	91.9	-145	29.4	-34.6	0	0	0	111.1	Y19	P17-Y19 HydrophobicContact CB-CD2 3.46Å; P17-Y19 VanDerWaalsContact CB-CD2 3.46Å; P17-Y19 HydrophobicContact CB-CE2 3.92Å; P17-Y19 HydrophobicContact CB-CG 4.32Å; P17-Y19 PolarHBondContact O-N 3.21Å
18	C	28.5	Very low	35.1	Very low	116 Å²	116	113.5 Å²	113.5	78%	0.784	60%	0.599	S	S	*	*			trans	-64.6	58.3	139.4	-67.3	0	0	0	0	108.7	S16 T20	S16-C18 PolarHBondContact O-N 3.41Å; C18-T20 PolarHBondContact O-N 2.74Å
19	Y	31.3	Very low	33.6	Very low	90 Å²	90	111 Å²	111	35%	0.353	59%	0.587	S	S	.	*			trans	-62.1	93.7	147.1	-79.5	-65.2	0	0	0	103.6	P17 F21 L757 Y761	P17-Y19 HydrophobicContact CB-CD2 3.46Å; P17-Y19 VanDerWaalsContact CB-CD2 3.46Å; P17-Y19 HydrophobicContact CB-CE2 3.92Å; P17-Y19 HydrophobicContact CB-CG 4.32Å; P17-Y19 PolarHBondContact O-N 3.21Å; Y19-F21 HydrophobicContact CG-CE2 4.31Å; Y19-F21 WeakPolarHBondContact O-CD2 3.13Å; Y19-F21 PolarHBondContact O-N 2.82Å; Y19-L757 HydrophobicContact CD2-CD1 4.28Å; Y19-L757 HydrophobicContact CE2-CD1 4.25Å; Y19-L757 HydrophobicContact CE2-CD2 4.39Å; Y19-L757 HydrophobicContact CE2-CG 4.26Å; Y19-Y761 PolarHBondContact OH-OH 3.46Å
20	T	27	Very low	32.6	Very low	126 Å²	126	109.9 Å²	109.9	77%	0.773	58%	0.576	S	S	*	*			trans	-50.3	76.6	152.7	46.6	0	0	0	0	106.5	C18 I22	C18-T20 PolarHBondContact O-N 2.74Å; T20-I22 VanDerWaalsContact C-N 3.29Å; T20-I22 PolarHBondContact O-N 3Å
21	F	30.2	Very low	31.5	Very low	115 Å²	115	106.7 Å²	106.7	50%	0.504	56%	0.557	S	S	.	*			trans	-62.8	105.9	162.5	-88.3	-86	0	0	0	103.4	Y19 L23	Y19-F21 HydrophobicContact CG-CE2 4.31Å; Y19-F21 WeakPolarHBondContact O-CD2 3.13Å; Y19-F21 PolarHBondContact O-N 2.82Å; F21-L23 PolarHBondContact O-N 3.2Å
22	I	26.2	Very low	31.1	Very low	158 Å²	158	105.2 Å²	105.2	81%	0.81	55%	0.554	S	S	*	*			trans	-49.3	96.6	157.6	-64.9	166	0	0	0	103.7	T20 P24	T20-I22 VanDerWaalsContact C-N 3.29Å; T20-I22 PolarHBondContact O-N 3Å; I22-P24 WeakPolarHBondContact O-CD 3.45Å
23	L	24.8	Very low	30.6	Very low	148 Å²	148	103.5 Å²	103.5	78%	0.775	55%	0.546	S	S	*	.			trans	-54.9	114.8	178.5	-78	152.9	0	0	0	105.4	F21 K25	F21-L23 PolarHBondContact O-N 3.2Å; L23-K25 PolarHBondContact O-N 3.25Å; L23-K25 VanDerWaalsContact O-N 3.14Å
24	P	25.3	Very low	30.7	Very low	113 Å²	113	95.4 Å²	95.4	73%	0.734	51%	0.511	S	S	*	.			trans	-54.3	128.3	162	22.4	-28.4	0	0	0	105.6	I22 S26	I22-P24 WeakPolarHBondContact O-CD 3.45Å; P24-S26 PolarHBondContact O-N 3.27Å
25	K	24.7	Very low	30.9	Very low	191 Å²	191	89.9 Å²	89.9	83%	0.83	49%	0.485	S	S	*	.			trans	-42.8	115.5	179.3	-88.7	176	173.6	174.5	0	107.6	L23 I27	L23-K25 PolarHBondContact O-N 3.25Å; L23-K25 VanDerWaalsContact O-N 3.14Å; K25-I27 PolarHBondContact O-N 2.74Å
26	S	27.3	Very low	31.3	Very low	47 Å²	47	90.9 Å²	90.9	33%	0.329	49%	0.485	S	S	.	.			trans	-25.9	111.3	171.7	163.5	0	0	0	0	111.1	P24 R28	P24-S26 PolarHBondContact O-N 3.27Å; S26-R28 VanDerWaalsContact C-N 3.31Å; S26-R28 PolarHBondContact O-N 3.46Å
27	I	27.2	Very low	32.3	Very low	88 Å²	88	89.4 Å²	89.4	45%	0.451	47%	0.468	S	S	.	.			trans	-51.3	97.6	168	-64.7	157.2	0	0	0	106.5	K25 N29	K25-I27 PolarHBondContact O-N 2.74Å; I27-N29 PolarHBondContact O-N 3.18Å
28	R	26.5	Very low	33.4	Very low	116 Å²	116	84.9 Å²	84.9	44%	0.438	44%	0.439	S	S	.	.			trans	-77.7	76.5	170.5	-70.6	-171.6	-170.1	-154.2	1.1	105.8	S26 I30 I740	S26-R28 VanDerWaalsContact C-N 3.31Å; S26-R28 PolarHBondContact O-N 3.46Å; R28-I30 HydrophobicContact CB-CD1 3.92Å; R28-I30 HydrophobicContact CB-CG1 4Å; R28-I30 WeakPolarHBondContact O-CD1 3.49Å; R28-I30 WeakPolarHBondContact O-CG1 3.38Å; R28-I30 PolarHBondContact O-N 2.75Å; R28-I30 VanDerWaalsContact O-N 3.11Å; R28-I740 HydrophobicContact CG-CD1 3.75Å
29	N	29.2	Very low	34.7	Very low	52 Å²	52	80.9 Å²	80.9	28%	0.278	41%	0.412	S	S	.	.				3.7	88.7	114.5	-86.1	-13.1	0	0	0	114.9	I27 N708 E709	I27-N29 PolarHBondContact O-N 3.18Å; N29-N708 HydrophobicContact CB-CB 3.52Å; N29-N708 WeakPolarHBondContact ND2-CB 3.15Å; N29-N708 PolarHBondContact ND2-ND2 3.41Å; N29-N708 PolarHBondContact ND2-OD1 3.16Å; N29-N708 VanDerWaalsContact OD1-CG 3.31Å; N29-N708 PolarHBondContact OD1-ND2 2.77Å; N29-E709 WeakPolarHBondContact O-CG 3.35Å
30	I	33.2	Very low	35.9	Very low	30 Å²	30	78.2 Å²	78.2	15%	0.154	40%	0.403	C	S	.	.			trans	-126.7	150.1	178.7	-58.6	148.8	0	0	0	110.9	R28 N34 L65 L83 E709	R28-I30 HydrophobicContact CB-CD1 3.92Å; R28-I30 HydrophobicContact CB-CG1 4Å; R28-I30 WeakPolarHBondContact O-CD1 3.49Å; R28-I30 WeakPolarHBondContact O-CG1 3.38Å; R28-I30 PolarHBondContact O-N 2.75Å; R28-I30 VanDerWaalsContact O-N 3.11Å; I30-N34 HydrophobicContact CG2-CB 4.43Å; I30-N34 WeakPolarHBondContact CG2-ND2 3.04Å; I30-L65 HydrophobicContact CB-CD1 3.27Å; I30-L65 HydrophobicContact CB-CD2 3.8Å; I30-L65 HydrophobicContact CB-CG 3.52Å; I30-L65 HydrophobicContact CD1-CB 4.49Å; I30-L65 HydrophobicContact CD1-CD1 3.83Å; I30-L65 HydrophobicContact CD1-CD2 4.5Å; I30-L65 HydrophobicContact CD1-CG 3.59Å; I30-L65 HydrophobicContact CG1-CD1 4.11Å; I30-L65 HydrophobicContact CG1-CG 4.13Å; I30-L65 HydrophobicContact CG2-CD1 3.11Å; I30-L65 HydrophobicContact CG2-CG 3.97Å; I30-L83 HydrophobicContact CD1-CD1 3.96Å; I30-E709 WeakPolarHBondContact CA-OE1 3.04Å; I30-E709 VanDerWaalsContact CG1-OE1 3.32Å; I30-E709 WeakPolarHBondContact CG1-OE1 3.43Å; I30-E709 WeakPolarHBondContact CG2-OE1 3.43Å
31	S	30.9	Very low	37.7	Very low	6 Å²	6	73.7 Å²	73.7	4%	0.042	37%	0.372	C	S	.	.			trans	-100.1	164.6	-155.7	52.2	0	0	0	0	116.2	Q33 N34 E709 Y711	S31-Q33 VanDerWaalsContact C-N 3.28Å; S31-Q33 PolarHBondContact O-N 3.44Å; S31-Q33 VanDerWaalsContact O-N 3.16Å; S31-N34 WeakPolarHBondContact O-CB 2.99Å; S31-N34 PolarHBondContact O-N 3.48Å; S31-N34 VanDerWaalsContact O-N 3.07Å; S31-E709 WeakPolarHBondContact CB-OE2 3.37Å; S31-E709 PolarHBondContact OG-OE2 3Å; S31-Y711 WeakPolarHBondContact CB-OH 3.46Å; S31-Y711 PolarHBondContact OG-OH 3.38Å
32	S	34.9	Very low	39.4	Very low	51 Å²	51	68.2 Å²	68.2	36%	0.357	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-16	176	46.9	0	0	0	0	117.1	N34 A35 S665	S32-N34 PolarHBondContact O-N 2.92Å; S32-A35 WeakPolarHBondContact O-CB 3.35Å; S32-A35 PolarHBondContact O-N 3.09Å; S32-S665 PolarHBondContact OG-O 3.48Å
33	Q	37	Very low	40.9	Very low	114 Å²	114	64 Å²	64	53%	0.533	33%	0.33	S	S	.	.	H	α-helix	trans	-70	-25.4	171	-72	178.3	0.1	0	0	112.3	S31 A35 F36 F37 Y711	S31-Q33 VanDerWaalsContact C-N 3.28Å; S31-Q33 PolarHBondContact O-N 3.44Å; S31-Q33 VanDerWaalsContact O-N 3.16Å; Q33-A35 VanDerWaalsContact C-N 3.27Å; Q33-A35 PolarHBondContact O-N 3.25Å; Q33-F36 PolarHBondContact O-N 3.32Å; Q33-F37 PolarHBondContact O-N 2.95Å; Q33-Y711 WeakPolarHBondContact CB-OH 3.48Å; Q33-Y711 VanDerWaalsContact CD-CE1 3.45Å; Q33-Y711 VanDerWaalsContact CD-OH 3.24Å; Q33-Y711 HydrophobicContact CG-CE1 4.28Å; Q33-Y711 HydrophobicContact CG-CE2 4Å; Q33-Y711 WeakPolarHBondContact CG-OH 3.46Å; Q33-Y711 PolarHBondContact OE1-OH 3.5Å
34	N	43.5	Very low	42.3	Very low	8 Å²	8	61.4 Å²	61.4	4%	0.043	31%	0.312	C	S	.	.	H	α-helix	trans	-65.5	-34.6	172.9	-78.9	8	0	0	0	110.9	I30 S31 S32 F36 F37 I38 V56 L65	I30-N34 HydrophobicContact CG2-CB 4.43Å; I30-N34 WeakPolarHBondContact CG2-ND2 3.04Å; S31-N34 WeakPolarHBondContact O-CB 2.99Å; S31-N34 PolarHBondContact O-N 3.48Å; S31-N34 VanDerWaalsContact O-N 3.07Å; S32-N34 PolarHBondContact O-N 2.92Å; N34-F36 PolarHBondContact O-N 2.93Å; N34-F37 PolarHBondContact O-N 2.88Å; N34-I38 HydrophobicContact CB-CD1 3.71Å; N34-I38 WeakPolarHBondContact O-CB 3.5Å; N34-I38 WeakPolarHBondContact O-CD1 3.13Å; N34-I38 WeakPolarHBondContact O-CG1 3.48Å; N34-I38 PolarHBondContact O-N 3.39Å; N34-V56 HydrophobicContact CB-CG1 3.88Å; N34-L65 HydrophobicContact CB-CD1 4.04Å; N34-L65 WeakPolarHBondContact ND2-CD1 3.28Å
35	A	42.1	Very low	43.7	Very low	22 Å²	22	60.5 Å²	60.5	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-57.9	-44.7	177.6	0	0	0	0	0	113	S32 Q33 S39 P54 V56	S32-A35 WeakPolarHBondContact O-CB 3.35Å; S32-A35 PolarHBondContact O-N 3.09Å; Q33-A35 VanDerWaalsContact C-N 3.27Å; Q33-A35 PolarHBondContact O-N 3.25Å; A35-S39 WeakPolarHBondContact O-CB 3.38Å; A35-S39 PolarHBondContact O-N 3.05Å; A35-P54 HydrophobicContact CB-CG 4.37Å; A35-P54 WeakPolarHBondContact O-CG 3.49Å; A35-V56 VanDerWaalsContact CA-CG2 3.48Å; A35-V56 HydrophobicContact CB-CB 4.39Å; A35-V56 HydrophobicContact CB-CG2 3.72Å
36	F	44	Very low	45.4	Very low	138 Å²	138	52.8 Å²	52.8	61%	0.605	28%	0.275	S	S	*	.	H	α-helix	trans	-70	-44.5	178.5	-173.7	-100.3	0	0	0	112.6	Q33 N34 I38 S39 D40 N572	Q33-F36 PolarHBondContact O-N 3.32Å; N34-F36 PolarHBondContact O-N 2.93Å; F36-I38 VanDerWaalsContact C-N 3.31Å; F36-I38 PolarHBondContact O-N 3.2Å; F36-S39 PolarHBondContact O-N 3.38Å; F36-D40 PolarHBondContact O-N 3.48Å; F36-N572 WeakPolarHBondContact CD1-ND2 3.37Å; F36-N572 VanDerWaalsContact CE1-CG 3.42Å; F36-N572 WeakPolarHBondContact CE1-ND2 3.43Å; F36-N572 VanDerWaalsContact CE1-OD1 3.29Å; F36-N572 WeakPolarHBondContact CE1-OD1 3.2Å; F36-N572 PolarHBondContact O-ND2 3.39Å
37	F	52.2	Low	47.1	Very low	54 Å²	54	60.8 Å²	60.8	24%	0.237	30%	0.298	C	S	.	.	H	α-helix	trans	-62.3	-40.5	176.9	178.4	-117.9	0	0	0	112.2	Q33 N34 D40 W41 V86 N572 H573	Q33-F37 PolarHBondContact O-N 2.95Å; N34-F37 PolarHBondContact O-N 2.88Å; F37-D40 PolarHBondContact O-N 2.97Å; F37-W41 WeakPolarHBondContact O-CB 3.48Å; F37-W41 PolarHBondContact O-N 3.11Å; F37-V86 HydrophobicContact CD1-CG1 4.17Å; F37-V86 HydrophobicContact CD1-CG2 4.42Å; F37-V86 HydrophobicContact CE1-CB 3.67Å; F37-V86 HydrophobicContact CE1-CG1 3.11Å; F37-V86 HydrophobicContact CE1-CG2 3.94Å; F37-V86 HydrophobicContact CE2-CG1 4.19Å; F37-V86 HydrophobicContact CZ-CB 4.17Å; F37-V86 HydrophobicContact CZ-CG1 3.13Å; F37-N572 HydrophobicContact CD2-CB 4.27Å; F37-H573 AromaticContact CD2-CE1 3.77Å; F37-H573 AromaticContact CE2-CE1 3.18Å; F37-H573 WeakPolarHBondContact CE2-CE1 3.46Å; F37-H573 AromaticContact CE2-NE2 3.59Å; F37-H573 AromaticContact CZ-CE1 3.84Å
38	I	56	Low	49	Very low	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-72.2	-42.4	179	-67.2	160.9	0	0	0	110.1	N34 F36 D40 W41 L42 V56 V67 V82	N34-I38 HydrophobicContact CB-CD1 3.71Å; N34-I38 WeakPolarHBondContact O-CB 3.5Å; N34-I38 WeakPolarHBondContact O-CD1 3.13Å; N34-I38 WeakPolarHBondContact O-CG1 3.48Å; N34-I38 PolarHBondContact O-N 3.39Å; F36-I38 VanDerWaalsContact C-N 3.31Å; F36-I38 PolarHBondContact O-N 3.2Å; I38-D40 VanDerWaalsContact C-N 3.25Å; I38-D40 PolarHBondContact O-N 2.82Å; I38-W41 PolarHBondContact O-N 2.85Å; I38-L42 HydrophobicContact CG2-CD1 3.84Å; I38-L42 HydrophobicContact CG2-CG 4.07Å; I38-L42 WeakPolarHBondContact O-CB 3.36Å; I38-L42 WeakPolarHBondContact O-CG 3.48Å; I38-L42 PolarHBondContact O-N 3.06Å; I38-V56 HydrophobicContact CD1-CG1 3.82Å; I38-V56 HydrophobicContact CD1-CG2 4.04Å; I38-V67 HydrophobicContact CB-CG2 4.42Å; I38-V67 HydrophobicContact CD1-CG2 3.54Å; I38-V67 HydrophobicContact CG1-CG2 4.34Å; I38-V67 HydrophobicContact CG2-CB 4.21Å; I38-V67 HydrophobicContact CG2-CG1 3.66Å; I38-V67 HydrophobicContact CG2-CG2 3.68Å; I38-V82 HydrophobicContact CD1-CB 4.3Å; I38-V82 HydrophobicContact CD1-CG1 3.45Å; I38-V82 VanDerWaalsContact CD1-CG1 3.45Å; I38-V82 HydrophobicContact CD1-CG2 4.02Å; I38-V82 HydrophobicContact CG1-CG1 4.23Å; I38-V82 HydrophobicContact CG1-CG2 3.93Å; I38-V82 HydrophobicContact CG2-CG2 4Å
39	S	55.2	Low	51.2	Low	31 Å²	31	58.9 Å²	58.9	22%	0.217	29%	0.292	C	S	.	.	H	α-helix	trans	-55.8	-43	174.3	-167.4	0	0	0	0	111.4	A35 F36 L42 V43	A35-S39 WeakPolarHBondContact O-CB 3.38Å; A35-S39 PolarHBondContact O-N 3.05Å; F36-S39 PolarHBondContact O-N 3.38Å; S39-L42 PolarHBondContact O-N 3.2Å; S39-V43 VanDerWaalsContact O-CG2 3.26Å; S39-V43 WeakPolarHBondContact O-CG2 3.28Å; S39-V43 PolarHBondContact O-N 3.43Å
40	D	55.7	Low	53.1	Low	34 Å²	34	57.8 Å²	57.8	18%	0.182	29%	0.288	C	S	.	.	H	α-helix	trans	-72.7	-38.7	177.9	-168.8	56.3	0	0	0	113.2	F36 F37 I38 L42 V43 K44 N572	F36-D40 PolarHBondContact O-N 3.48Å; F37-D40 PolarHBondContact O-N 2.97Å; I38-D40 VanDerWaalsContact C-N 3.25Å; I38-D40 PolarHBondContact O-N 2.82Å; D40-L42 VanDerWaalsContact C-N 3.28Å; D40-L42 PolarHBondContact O-N 3.09Å; D40-V43 PolarHBondContact O-N 3.43Å; D40-K44 VanDerWaalsContact O-CB 3.28Å; D40-K44 WeakPolarHBondContact O-CB 3.32Å; D40-K44 PolarHBondContact O-N 2.95Å; D40-K44 VanDerWaalsContact OD1-CD 3.26Å; D40-K44 WeakPolarHBondContact OD1-CD 3.35Å; D40-K44 WeakPolarHBondContact OD1-CE 3.48Å; D40-K44 IonicContact OD1-NZ 3.83Å; D40-K44 PolarHBondContact OD1-NZ 3.37Å; D40-K44 WeakPolarHBondContact OD2-CD 3.46Å; D40-K44 IonicContact OD2-NZ 2.73Å; D40-K44 PolarHBondContact OD2-NZ 2.88Å; D40-N572 HydrophobicContact CB-CB 4.35Å; D40-N572 VanDerWaalsContact CB-CG 3.42Å; D40-N572 WeakPolarHBondContact CB-ND2 3.19Å; D40-N572 VanDerWaalsContact CG-ND2 3.32Å; D40-N572 WeakPolarHBondContact OD2-CB 3.32Å; D40-N572 PolarHBondContact OD2-ND2 2.84Å; D40-N572 PolarHBondContact OD2-OD1 2.88Å
41	W	64.9	Low	54.8	Low	31 Å²	31	57.7 Å²	57.7	12%	0.117	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-42.7	171.7	174.1	79.7	0	0	0	111	F37 I38 T45 S46 I79 V82 C85 V86 C91	F37-W41 WeakPolarHBondContact O-CB 3.48Å; F37-W41 PolarHBondContact O-N 3.11Å; I38-W41 PolarHBondContact O-N 2.85Å; W41-T45 WeakPolarHBondContact O-CA 3.5Å; W41-T45 WeakPolarHBondContact O-CB 3.46Å; W41-T45 PolarHBondContact O-N 3.16Å; W41-T45 PolarHBondContact O-OG1 2.85Å; W41-S46 PolarHBondContact O-N 3.28Å; W41-I79 HydrophobicContact CH2-CD1 4.31Å; W41-I79 HydrophobicContact CZ3-CD1 3.9Å; W41-V82 HydrophobicContact CZ3-CG2 4.45Å; W41-C85 HydrophobicContact CH2-CB 3.82Å; W41-C85 HydrophobicContact CZ2-CB 3.88Å; W41-V86 HydrophobicContact CB-CG1 4.36Å; W41-V86 HydrophobicContact CB-CG2 4.44Å; W41-V86 HydrophobicContact CD2-CG2 4.02Å; W41-V86 HydrophobicContact CE3-CG2 4.41Å; W41-V86 HydrophobicContact CG-CG1 4.01Å; W41-V86 HydrophobicContact CG-CG2 4Å; W41-C91 HydrophobicContact CH2-CB 4.33Å; W41-C91 HydrophobicContact CZ2-CB 4.39Å
42	L	65.7	Low	56.5	Low	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-45.2	177.5	-72.6	172	0	0	0	111.8	I38 S39 D40 S46 R47 L48 V50 V67 F69 I79	I38-L42 HydrophobicContact CG2-CD1 3.84Å; I38-L42 HydrophobicContact CG2-CG 4.07Å; I38-L42 WeakPolarHBondContact O-CB 3.36Å; I38-L42 WeakPolarHBondContact O-CG 3.48Å; I38-L42 PolarHBondContact O-N 3.06Å; S39-L42 PolarHBondContact O-N 3.2Å; D40-L42 VanDerWaalsContact C-N 3.28Å; D40-L42 PolarHBondContact O-N 3.09Å; L42-S46 VanDerWaalsContact C-OG 3.3Å; L42-S46 VanDerWaalsContact CA-OG 3.23Å; L42-S46 WeakPolarHBondContact CA-OG 3.39Å; L42-S46 PolarHBondContact O-OG 3.1Å; L42-R47 PolarHBondContact O-N 3.43Å; L42-L48 HydrophobicContact CD2-CD1 4.11Å; L42-L48 PolarHBondContact O-N 2.75Å; L42-V50 HydrophobicContact CB-CG2 4.02Å; L42-V50 HydrophobicContact CD1-CG2 4.31Å; L42-V67 HydrophobicContact CD1-CG1 4.3Å; L42-F69 HydrophobicContact CD1-CD1 3.57Å; L42-F69 HydrophobicContact CD1-CD2 4.08Å; L42-F69 HydrophobicContact CD1-CE1 3.52Å; L42-F69 HydrophobicContact CD1-CE2 4.05Å; L42-F69 HydrophobicContact CD1-CG 3.85Å; L42-F69 HydrophobicContact CD1-CZ 3.79Å; L42-F69 HydrophobicContact CD2-CD1 4.41Å; L42-F69 HydrophobicContact CD2-CE1 3.5Å; L42-F69 HydrophobicContact CD2-CE2 4.17Å; L42-F69 HydrophobicContact CD2-CZ 3.37Å; L42-F69 HydrophobicContact CG-CE1 4.16Å; L42-F69 HydrophobicContact CG-CZ 4.14Å; L42-I79 HydrophobicContact CD2-CD1 3.88Å
43	V	57.9	Low	58.1	Low	69 Å²	69	61.1 Å²	61.1	42%	0.418	31%	0.306	S	S	.	.	H	α-helix	trans	-74.1	-48.9	-179.3	174.2	0	0	0	0	111.8	S39 D40 R47 V50	S39-V43 VanDerWaalsContact O-CG2 3.26Å; S39-V43 WeakPolarHBondContact O-CG2 3.28Å; S39-V43 PolarHBondContact O-N 3.43Å; D40-V43 PolarHBondContact O-N 3.43Å; V43-R47 VanDerWaalsContact O-CA 3.3Å; V43-R47 WeakPolarHBondContact O-CA 3.03Å; V43-R47 PolarHBondContact O-N 3.38Å; V43-V50 HydrophobicContact CG2-CG2 4.09Å
44	K	55.4	Low	59.9	Low	94 Å²	94	56.3 Å²	56.3	41%	0.409	29%	0.285	S	S	.	.	H	α-helix	trans	-82.5	-39.6	-173	-68.5	-175.4	-176.4	146.2	0	113.8	D40 L570	D40-K44 VanDerWaalsContact O-CB 3.28Å; D40-K44 WeakPolarHBondContact O-CB 3.32Å; D40-K44 PolarHBondContact O-N 2.95Å; D40-K44 VanDerWaalsContact OD1-CD 3.26Å; D40-K44 WeakPolarHBondContact OD1-CD 3.35Å; D40-K44 WeakPolarHBondContact OD1-CE 3.48Å; D40-K44 IonicContact OD1-NZ 3.83Å; D40-K44 PolarHBondContact OD1-NZ 3.37Å; D40-K44 WeakPolarHBondContact OD2-CD 3.46Å; D40-K44 IonicContact OD2-NZ 2.73Å; D40-K44 PolarHBondContact OD2-NZ 2.88Å; K44-L570 PolarHBondContact NZ-O 3.02Å
45	T	54.9	Low	61.6	Low	94 Å²	94	57 Å²	57	58%	0.577	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-45.5	-170.6	-41	0	0	0	0	111.2	W41	W41-T45 WeakPolarHBondContact O-CA 3.5Å; W41-T45 WeakPolarHBondContact O-CB 3.46Å; W41-T45 PolarHBondContact O-N 3.16Å; W41-T45 PolarHBondContact O-OG1 2.85Å
46	S	58.7	Low	63.4	Low	30 Å²	30	57 Å²	57	21%	0.21	29%	0.286	C	S	.	.	S	Bend	trans	-92.8	-4.7	177.8	45.3	0	0	0	0	114.9	W41 L42 L48	W41-S46 PolarHBondContact O-N 3.28Å; L42-S46 VanDerWaalsContact C-OG 3.3Å; L42-S46 VanDerWaalsContact CA-OG 3.23Å; L42-S46 WeakPolarHBondContact CA-OG 3.39Å; L42-S46 PolarHBondContact O-OG 3.1Å; S46-L48 PolarHBondContact O-N 3.31Å
47	R	62.9	Low	65	Low	215 Å²	215	52.4 Å²	52.4	81%	0.811	27%	0.267	S	S	*	.			trans	56.6	35.1	-177.9	-56.2	-179.3	179.7	-178.1	-0.4	113.2	L42 V43	L42-R47 PolarHBondContact O-N 3.43Å; V43-R47 VanDerWaalsContact O-CA 3.3Å; V43-R47 WeakPolarHBondContact O-CA 3.03Å; V43-R47 PolarHBondContact O-N 3.38Å
48	L	67.7	Low	66.3	Low	25 Å²	25	50.4 Å²	50.4	13%	0.131	26%	0.258	C	S	.	.			trans	-91.1	130	178.8	-64.4	173.4	0	0	0	109.9	L42 S46 V50 F69 T71 Y77	L42-L48 HydrophobicContact CD2-CD1 4.11Å; L42-L48 PolarHBondContact O-N 2.75Å; S46-L48 PolarHBondContact O-N 3.31Å; L48-V50 PolarHBondContact O-N 2.92Å; L48-F69 HydrophobicContact CB-CE2 4.45Å; L48-F69 HydrophobicContact CD1-CE2 3.89Å; L48-F69 HydrophobicContact CD1-CZ 3.67Å; L48-T71 HydrophobicContact CB-CG2 4.2Å; L48-Y77 HydrophobicContact CD2-CE2 4.34Å
49	H	73.4	Confident	67.5	Low	138 Å²	138	50.6 Å²	50.6	64%	0.639	26%	0.259	S	S	*	.			trans	-85.8	85.7	175.3	-67.4	-69	0	0	0	109.4	T71 V72	H49-T71 CarbonylContact O-C 3.59Å; H49-T71 WeakPolarHBondContact O-CA 3.48Å; H49-T71 WeakPolarHBondContact O-CB 3.25Å; H49-V72 HydrophobicContact CB-CG1 4.37Å; H49-V72 HydrophobicContact CB-CG2 3.52Å; H49-V72 PolarHBondContact O-N 2.68Å
50	V	69.7	Low	68.8	Low	30 Å²	30	51 Å²	51	18%	0.182	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-65.3	130.3	179.9	-177.4	0	0	0	0	110.3	L42 V43 L48 S52 F69 S70	L42-V50 HydrophobicContact CB-CG2 4.02Å; L42-V50 HydrophobicContact CD1-CG2 4.31Å; V43-V50 HydrophobicContact CG2-CG2 4.09Å; L48-V50 PolarHBondContact O-N 2.92Å; V50-S52 WeakPolarHBondContact CG1-O 3.45Å; V50-F69 HydrophobicContact CG1-CB 4.38Å; V50-F69 HydrophobicContact CG1-CD2 4.27Å; V50-F69 HydrophobicContact CG2-CD2 3.93Å; V50-F69 HydrophobicContact CG2-CE2 4.22Å; V50-S70 WeakPolarHBondContact CA-O 3.37Å
51	A	67.3	Low	70	Confident	27 Å²	27	52.8 Å²	52.8	22%	0.223	27%	0.268	C	S	.	.			trans	-90.2	-29.5	-175.8	0	0	0	0	0	114	S70 V72	A51-S70 PolarHBondContact N-O 3.07Å; A51-V72 HydrophobicContact CB-CG1 3.99Å
52	S	66.8	Low	70.6	Confident	13 Å²	13	55 Å²	55	9%	0.091	28%	0.282	C	S	.	.	S	Bend	trans	-143.5	165.9	-179.7	68.9	0	0	0	0	111.2	V50 S70 F108 S109	V50-S52 WeakPolarHBondContact CG1-O 3.45Å; S52-S70 PolarHBondContact OG-OG 3.33Å; S52-F108 WeakPolarHBondContact CB-O 3.39Å; S52-S109 WeakPolarHBondContact CB-O 3.47Å; S52-S109 PolarHBondContact OG-O 3.07Å
53	N	68.8	Low	70.9	Confident	116 Å²	116	55.4 Å²	55.4	62%	0.62	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-59.4	136.9	-179.8	-60.3	-34.3	0	0	0	111	T110 P111	N53-T110 HydrophobicContact CB-CG2 3.62Å; N53-P111 VanDerWaalsContact O-CD 3.32Å; N53-P111 WeakPolarHBondContact O-CD 3.29Å
54	P	75.4	Confident	71.8	Confident	13 Å²	13	54.7 Å²	54.7	8%	0.084	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-70	141.2	179.7	28.3	-34.4	0	0	0	111.7	A35 V56 V67 Y68 F69	A35-P54 HydrophobicContact CB-CG 4.37Å; A35-P54 WeakPolarHBondContact O-CG 3.49Å; P54-V56 HydrophobicContact CB-CG2 4.46Å; P54-V67 HydrophobicContact CB-CG1 4.11Å; P54-Y68 WeakPolarHBondContact CA-O 3.46Å; P54-F69 HydrophobicContact CB-CB 4.01Å
55	L	79.3	Confident	72.8	Confident	23 Å²	23	50.3 Å²	50.3	12%	0.12	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	128.2	164.1	173.8	68.7	0	0	0	108.3	E57 V67 Y68 P111 A113 V124	L55-E57 HydrophobicContact CD1-CB 4.43Å; L55-V67 VanDerWaalsContact O-CA 3.31Å; L55-V67 WeakPolarHBondContact O-CA 3.1Å; L55-Y68 HydrophobicContact CD2-CD2 4.2Å; L55-Y68 PolarHBondContact N-O 2.6Å; L55-Y68 PolarHBondContact O-N 2.99Å; L55-P111 HydrophobicContact CB-CB 4Å; L55-P111 HydrophobicContact CB-CG 3.69Å; L55-P111 HydrophobicContact CD2-CB 4.37Å; L55-A113 HydrophobicContact CD1-CB 4.19Å; L55-A113 HydrophobicContact CD2-CB 4.05Å; L55-V124 HydrophobicContact CD2-CG1 4.01Å
56	V	78.8	Confident	74	Confident	21 Å²	21	45.8 Å²	45.8	13%	0.127	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	105.2	177.7	-175.2	0	0	0	0	108.9	N34 A35 I38 P54 L65 D66 V67	N34-V56 HydrophobicContact CB-CG1 3.88Å; A35-V56 VanDerWaalsContact CA-CG2 3.48Å; A35-V56 HydrophobicContact CB-CB 4.39Å; A35-V56 HydrophobicContact CB-CG2 3.72Å; I38-V56 HydrophobicContact CD1-CG1 3.82Å; I38-V56 HydrophobicContact CD1-CG2 4.04Å; P54-V56 HydrophobicContact CB-CG2 4.46Å; V56-L65 HydrophobicContact CG1-CB 4.29Å; V56-L65 HydrophobicContact CG1-CD1 3.49Å; V56-L65 VanDerWaalsContact CG1-CD1 3.49Å; V56-L65 HydrophobicContact CG1-CD2 4.12Å; V56-L65 HydrophobicContact CG1-CG 4.19Å; V56-D66 WeakPolarHBondContact CA-O 3.36Å; V56-V67 HydrophobicContact CB-CG2 4.42Å; V56-V67 HydrophobicContact CG1-CG2 4.09Å; V56-V67 HydrophobicContact CG2-CG2 3.87Å
57	E	78.2	Confident	75.3	Confident	43 Å²	43	44.4 Å²	44.4	20%	0.201	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	152.8	-175.1	-167.1	158.8	-173.7	0	0	110.1	L55 I59 D66 A113 K122	L55-E57 HydrophobicContact CD1-CB 4.43Å; E57-I59 HydrophobicContact CB-CD1 3.96Å; E57-I59 HydrophobicContact CB-CG1 4.46Å; E57-I59 HydrophobicContact CG-CD1 4.07Å; E57-I59 PolarHBondContact O-N 3.13Å; E57-D66 PolarHBondContact N-O 3.02Å; E57-D66 VanDerWaalsContact N-O 3.08Å; E57-D66 CarbonylContact O-C 3.59Å; E57-D66 WeakPolarHBondContact O-CA 3.44Å; E57-D66 WeakPolarHBondContact O-CB 3.46Å; E57-D66 PolarHBondContact O-N 2.98Å; E57-D66 VanDerWaalsContact O-O 3.09Å; E57-A113 WeakPolarHBondContact OE2-CB 3.36Å; E57-K122 IonicContact OE1-NZ 3.27Å; E57-K122 PolarHBondContact OE1-NZ 3.27Å
58	D	79.5	Confident	76.4	Confident	11 Å²	11	34.2 Å²	34.2	6%	0.059	19%	0.186	C	C	.	.			trans	-81.1	98.1	171.5	178.6	1.6	0	0	0	107.5	L61 D62 G63 N64 L65	D58-L61 WeakPolarHBondContact OD1-CA 3.36Å; D58-L61 PolarHBondContact OD1-N 3.38Å; D58-D62 PolarHBondContact OD1-N 2.01Å; D58-G63 WeakPolarHBondContact OD2-CA 3.31Å; D58-G63 PolarHBondContact OD2-N 2.87Å; D58-N64 VanDerWaalsContact CB-O 3.28Å; D58-N64 WeakPolarHBondContact CB-O 3.45Å; D58-L65 HydrophobicContact CB-CD2 4.48Å
59	I	82.2	Confident	77.3	Confident	5 Å²	5	33 Å²	33	3%	0.026	18%	0.179	C	C	.	.	S	Bend	trans	-91.9	-36.8	-175.3	-60	-61.9	0	0	0	110.4	E57 L61 D66 Y68 A113 K122 V124	E57-I59 HydrophobicContact CB-CD1 3.96Å; E57-I59 HydrophobicContact CB-CG1 4.46Å; E57-I59 HydrophobicContact CG-CD1 4.07Å; E57-I59 PolarHBondContact O-N 3.13Å; I59-L61 VanDerWaalsContact C-N 3.25Å; I59-L61 PolarHBondContact O-N 3.21Å; I59-D66 PolarHBondContact N-OD2 3.32Å; I59-D66 VanDerWaalsContact N-OD2 3.11Å; I59-Y68 HydrophobicContact CB-CE2 4.03Å; I59-Y68 HydrophobicContact CG1-CD2 4.15Å; I59-Y68 HydrophobicContact CG1-CE2 3.44Å; I59-Y68 VanDerWaalsContact CG1-CE2 3.44Å; I59-A113 HydrophobicContact CD1-CB 3.5Å; I59-A113 VanDerWaalsContact CD1-CB 3.5Å; I59-K122 HydrophobicContact CD1-CB 4Å; I59-K122 HydrophobicContact CD1-CD 4.24Å; I59-K122 HydrophobicContact CG2-CB 4.13Å; I59-K122 WeakPolarHBondContact CG2-O 3.23Å; I59-V124 HydrophobicContact CD1-CG2 4.45Å; I59-V124 HydrophobicContact CG1-CG2 4.03Å; I59-V124 HydrophobicContact CG2-CG2 4.02Å
60	D	82.1	Confident	77.9	Confident	40 Å²	40	26.4 Å²	26.4	21%	0.214	15%	0.149	C	C	.	.	S	Bend	trans	-79.4	-8.7	178.5	77.7	-3.7	0	0	0	113.7	D62 D66 Y138	D60-D62 PolarHBondContact O-N 3.29Å; D60-D62 WeakPolarHBondContact OD1-CB 3.31Å; D60-D62 VanDerWaalsContact OD1-CG 3.24Å; D60-D62 PolarHBondContact OD1-N 3.37Å; D60-D66 PolarHBondContact N-OD2 3.29Å; D60-Y138 HydrophobicContact CB-CD1 4.31Å; D60-Y138 HydrophobicContact CB-CD2 3.24Å; D60-Y138 HydrophobicContact CB-CE2 3.67Å; D60-Y138 HydrophobicContact CB-CG 3.61Å
61	L	80.6	Confident	78.3	Confident	70 Å²	70	25.1 Å²	25.1	37%	0.366	14%	0.141	S	C	.	.			trans	62.1	26.1	179.9	-53.1	173.7	0	0	0	112.6	D58 I59 G63	D58-L61 WeakPolarHBondContact OD1-CA 3.36Å; D58-L61 PolarHBondContact OD1-N 3.38Å; I59-L61 VanDerWaalsContact C-N 3.25Å; I59-L61 PolarHBondContact O-N 3.21Å; L61-G63 PolarHBondContact O-N 2.81Å
62	D	78.2	Confident	78.9	Confident	77 Å²	77	27.6 Å²	27.6	41%	0.412	15%	0.153	S	C	.	.	S	Bend	trans	-78.6	-7.1	176.4	92.4	-10.5	0	0	0	113	D58 D60 N64	D58-D62 PolarHBondContact OD1-N 2.01Å; D60-D62 PolarHBondContact O-N 3.29Å; D60-D62 WeakPolarHBondContact OD1-CB 3.31Å; D60-D62 VanDerWaalsContact OD1-CG 3.24Å; D60-D62 PolarHBondContact OD1-N 3.37Å; D62-N64 WeakPolarHBondContact OD1-CA 3.31Å; D62-N64 WeakPolarHBondContact OD1-CB 3.25Å; D62-N64 PolarHBondContact OD1-N 3.3Å; D62-N64 PolarHBondContact OD1-ND2 3.35Å; D62-N64 PolarHBondContact OD2-ND2 2.81Å
63	G	71.8	Confident	79.5	Confident	10 Å²	10	32 Å²	32	10%	0.103	18%	0.176	C	C	.	.	S	Bend	trans	89	2	-179.7	0	0	0	0	0	114.6	D58 L61	D58-G63 WeakPolarHBondContact OD2-CA 3.31Å; D58-G63 PolarHBondContact OD2-N 2.87Å; L61-G63 PolarHBondContact O-N 2.81Å
64	N	76.7	Confident	80.2	Confident	53 Å²	53	26.5 Å²	26.5	28%	0.283	15%	0.146	S	C	.	.	S	Bend	trans	-106.5	158	170.4	-49.9	-76.1	0	0	0	109.7	D58 D62 N81	D58-N64 VanDerWaalsContact CB-O 3.28Å; D58-N64 WeakPolarHBondContact CB-O 3.45Å; D62-N64 WeakPolarHBondContact OD1-CA 3.31Å; D62-N64 WeakPolarHBondContact OD1-CB 3.25Å; D62-N64 PolarHBondContact OD1-N 3.3Å; D62-N64 PolarHBondContact OD1-ND2 3.35Å; D62-N64 PolarHBondContact OD2-ND2 2.81Å; N64-N81 HydrophobicContact CB-CB 4Å; N64-N81 PolarHBondContact ND2-ND2 2.94Å; N64-N81 PolarHBondContact OD1-ND2 3.41Å
65	L	75.8	Confident	80.9	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.01	15%	0.145	C	C	.	.			trans	-83.9	139.9	175.6	-80.1	175.7	0	0	0	112.9	I30 N34 V56 D58 N81 V82	I30-L65 HydrophobicContact CB-CD1 3.27Å; I30-L65 HydrophobicContact CB-CD2 3.8Å; I30-L65 HydrophobicContact CB-CG 3.52Å; I30-L65 HydrophobicContact CD1-CB 4.49Å; I30-L65 HydrophobicContact CD1-CD1 3.83Å; I30-L65 HydrophobicContact CD1-CD2 4.5Å; I30-L65 HydrophobicContact CD1-CG 3.59Å; I30-L65 HydrophobicContact CG1-CD1 4.11Å; I30-L65 HydrophobicContact CG1-CG 4.13Å; I30-L65 HydrophobicContact CG2-CD1 3.11Å; I30-L65 HydrophobicContact CG2-CG 3.97Å; N34-L65 HydrophobicContact CB-CD1 4.04Å; N34-L65 WeakPolarHBondContact ND2-CD1 3.28Å; V56-L65 HydrophobicContact CG1-CB 4.29Å; V56-L65 HydrophobicContact CG1-CD1 3.49Å; V56-L65 VanDerWaalsContact CG1-CD1 3.49Å; V56-L65 HydrophobicContact CG1-CD2 4.12Å; V56-L65 HydrophobicContact CG1-CG 4.19Å; D58-L65 HydrophobicContact CB-CD2 4.48Å; L65-N81 CarbonylContact O-C 3.52Å; L65-N81 WeakPolarHBondContact O-CA 3.34Å; L65-N81 PolarHBondContact O-N 3.02Å; L65-V82 HydrophobicContact CB-CG1 4.11Å; L65-V82 PolarHBondContact O-N 3.11Å
66	D	80.7	Confident	81.5	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	156.9	167.4	-47.2	-45	0	0	0	109.7	V56 E57 I59 D60 Y68 I79 S80 N81	V56-D66 WeakPolarHBondContact CA-O 3.36Å; E57-D66 PolarHBondContact N-O 3.02Å; E57-D66 VanDerWaalsContact N-O 3.08Å; E57-D66 CarbonylContact O-C 3.59Å; E57-D66 WeakPolarHBondContact O-CA 3.44Å; E57-D66 WeakPolarHBondContact O-CB 3.46Å; E57-D66 PolarHBondContact O-N 2.98Å; E57-D66 VanDerWaalsContact O-O 3.09Å; I59-D66 PolarHBondContact N-OD2 3.32Å; I59-D66 VanDerWaalsContact N-OD2 3.11Å; D60-D66 PolarHBondContact N-OD2 3.29Å; D66-Y68 HydrophobicContact CB-CD2 4.42Å; D66-Y68 HydrophobicContact CB-CE2 3.53Å; D66-I79 CarbonylContact C-O 3.55Å; D66-I79 VanDerWaalsContact CA-O 3.29Å; D66-I79 WeakPolarHBondContact CA-O 3.23Å; D66-S80 WeakPolarHBondContact OD1-CA 3.44Å; D66-N81 PolarHBondContact OD1-N 2.97Å; D66-N81 VanDerWaalsContact OD1-N 3.16Å
67	V	84.8	Confident	82.1	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131	178.8	172	0	0	0	0	109.8	I38 L42 P54 L55 V56 F69 G78 I79 V82	I38-V67 HydrophobicContact CB-CG2 4.42Å; I38-V67 HydrophobicContact CD1-CG2 3.54Å; I38-V67 HydrophobicContact CG1-CG2 4.34Å; I38-V67 HydrophobicContact CG2-CB 4.21Å; I38-V67 HydrophobicContact CG2-CG1 3.66Å; I38-V67 HydrophobicContact CG2-CG2 3.68Å; L42-V67 HydrophobicContact CD1-CG1 4.3Å; P54-V67 HydrophobicContact CB-CG1 4.11Å; L55-V67 VanDerWaalsContact O-CA 3.31Å; L55-V67 WeakPolarHBondContact O-CA 3.1Å; V56-V67 HydrophobicContact CB-CG2 4.42Å; V56-V67 HydrophobicContact CG1-CG2 4.09Å; V56-V67 HydrophobicContact CG2-CG2 3.87Å; V67-F69 HydrophobicContact CG1-CD1 3.84Å; V67-F69 HydrophobicContact CG1-CE1 4.35Å; V67-G78 CarbonylContact O-C 3.56Å; V67-G78 WeakPolarHBondContact O-CA 3.4Å; V67-I79 PolarHBondContact N-O 2.79Å; V67-I79 PolarHBondContact O-N 2.83Å; V67-V82 HydrophobicContact CB-CB 4.38Å; V67-V82 HydrophobicContact CB-CG2 4.48Å; V67-V82 HydrophobicContact CG2-CB 3.63Å; V67-V82 HydrophobicContact CG2-CG1 3.56Å; V67-V82 HydrophobicContact CG2-CG2 3.82Å
68	Y	87.6	Confident	82.6	Confident	1 Å²	1	23.7 Å²	23.7	0%	0.004	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.3	177.3	-58.1	-86.7	0	0	0	110	P54 L55 I59 D66 Y77 W98 P111 V124 Y138	P54-Y68 WeakPolarHBondContact CA-O 3.46Å; L55-Y68 HydrophobicContact CD2-CD2 4.2Å; L55-Y68 PolarHBondContact N-O 2.6Å; L55-Y68 PolarHBondContact O-N 2.99Å; I59-Y68 HydrophobicContact CB-CE2 4.03Å; I59-Y68 HydrophobicContact CG1-CD2 4.15Å; I59-Y68 HydrophobicContact CG1-CE2 3.44Å; I59-Y68 VanDerWaalsContact CG1-CE2 3.44Å; D66-Y68 HydrophobicContact CB-CD2 4.42Å; D66-Y68 HydrophobicContact CB-CE2 3.53Å; Y68-Y77 VanDerWaalsContact CA-O 3.29Å; Y68-Y77 WeakPolarHBondContact CA-O 3.42Å; Y68-W98 HydrophobicContact CD1-CH2 4.17Å; Y68-W98 AromaticContact CD1-CZ2 3.77Å; Y68-W98 HydrophobicContact CD1-CZ2 3.77Å; Y68-W98 AromaticContact CE1-CE2 3.85Å; Y68-W98 HydrophobicContact CE1-CH2 4.47Å; Y68-W98 AromaticContact CE1-CZ2 3.63Å; Y68-W98 HydrophobicContact CE1-CZ2 3.63Å; Y68-W98 AromaticContact CE1-NE1 3.95Å; Y68-P111 VanDerWaalsContact O-CG 3.26Å; Y68-P111 WeakPolarHBondContact O-CG 3.25Å; Y68-V124 HydrophobicContact CD1-CB 4.37Å; Y68-V124 HydrophobicContact CD1-CG1 4.05Å; Y68-V124 HydrophobicContact CD1-CG2 3.9Å; Y68-V124 HydrophobicContact CD2-CG1 4.31Å; Y68-V124 HydrophobicContact CD2-CG2 3.76Å; Y68-V124 HydrophobicContact CE1-CG2 3.82Å; Y68-V124 HydrophobicContact CE2-CG2 3.68Å; Y68-V124 HydrophobicContact CG-CB 4.41Å; Y68-V124 HydrophobicContact CG-CG1 3.79Å; Y68-V124 HydrophobicContact CG-CG2 3.86Å; Y68-Y138 WeakPolarHBondContact OH-CA 3.02Å; Y68-Y138 PolarHBondContact OH-O 2.86Å
69	F	86.5	Confident	83	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	161.5	-178.6	65.1	-78.6	0	0	0	111	L42 L48 V50 P54 V67 T71 Y77 I79	L42-F69 HydrophobicContact CD1-CD1 3.57Å; L42-F69 HydrophobicContact CD1-CD2 4.08Å; L42-F69 HydrophobicContact CD1-CE1 3.52Å; L42-F69 HydrophobicContact CD1-CE2 4.05Å; L42-F69 HydrophobicContact CD1-CG 3.85Å; L42-F69 HydrophobicContact CD1-CZ 3.79Å; L42-F69 HydrophobicContact CD2-CD1 4.41Å; L42-F69 HydrophobicContact CD2-CE1 3.5Å; L42-F69 HydrophobicContact CD2-CE2 4.17Å; L42-F69 HydrophobicContact CD2-CZ 3.37Å; L42-F69 HydrophobicContact CG-CE1 4.16Å; L42-F69 HydrophobicContact CG-CZ 4.14Å; L48-F69 HydrophobicContact CB-CE2 4.45Å; L48-F69 HydrophobicContact CD1-CE2 3.89Å; L48-F69 HydrophobicContact CD1-CZ 3.67Å; V50-F69 HydrophobicContact CG1-CB 4.38Å; V50-F69 HydrophobicContact CG1-CD2 4.27Å; V50-F69 HydrophobicContact CG2-CD2 3.93Å; V50-F69 HydrophobicContact CG2-CE2 4.22Å; P54-F69 HydrophobicContact CB-CB 4.01Å; V67-F69 HydrophobicContact CG1-CD1 3.84Å; V67-F69 HydrophobicContact CG1-CE1 4.35Å; F69-T71 HydrophobicContact CD2-CG2 4.19Å; F69-T71 HydrophobicContact CE2-CG2 3.84Å; F69-Y77 HydrophobicContact CD2-CD2 4.34Å; F69-Y77 HydrophobicContact CE1-CG 4.06Å; F69-Y77 AromaticContact CE2-CD2 3.62Å; F69-Y77 HydrophobicContact CE2-CD2 3.62Å; F69-Y77 HydrophobicContact CE2-CE2 4.4Å; F69-Y77 AromaticContact CE2-CG 3.89Å; F69-Y77 HydrophobicContact CE2-CG 3.89Å; F69-Y77 HydrophobicContact CZ-CD1 4.23Å; F69-Y77 AromaticContact CZ-CD2 3.76Å; F69-Y77 HydrophobicContact CZ-CD2 3.76Å; F69-Y77 AromaticContact CZ-CG 3.51Å; F69-Y77 HydrophobicContact CZ-CG 3.51Å; F69-Y77 PolarHBondContact N-O 2.74Å; F69-Y77 VanDerWaalsContact N-O 3.15Å; F69-Y77 PolarHBondContact O-N 2.66Å; F69-I79 HydrophobicContact CE1-CD1 3.97Å; F69-I79 HydrophobicContact CE1-CG1 4.41Å; F69-I79 HydrophobicContact CZ-CD1 4.46Å
70	S	84	Confident	83.1	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	151	172.8	55.3	0	0	0	0	110.9	V50 A51 S52 V75 F107	V50-S70 WeakPolarHBondContact CA-O 3.37Å; A51-S70 PolarHBondContact N-O 3.07Å; S52-S70 PolarHBondContact OG-OG 3.33Å; S70-V75 WeakPolarHBondContact CA-O 3.23Å; S70-F107 PolarHBondContact OG-O 3.44Å
71	T	79.5	Confident	82.9	Confident	2 Å²	2	23.1 Å²	23.1	1%	0.012	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-108.7	159.9	169.8	50.7	0	0	0	0	111.3	L48 H49 F69 D73 G74 V75 Y77	L48-T71 HydrophobicContact CB-CG2 4.2Å; H49-T71 CarbonylContact O-C 3.59Å; H49-T71 WeakPolarHBondContact O-CA 3.48Å; H49-T71 WeakPolarHBondContact O-CB 3.25Å; F69-T71 HydrophobicContact CD2-CG2 4.19Å; F69-T71 HydrophobicContact CE2-CG2 3.84Å; T71-D73 WeakPolarHBondContact CB-OD1 3.5Å; T71-D73 PolarHBondContact O-N 3.2Å; T71-D73 VanDerWaalsContact O-N 3.14Å; T71-D73 PolarHBondContact OG1-OD1 2.86Å; T71-G74 PolarHBondContact O-N 3.21Å; T71-V75 PolarHBondContact N-O 3.46Å; T71-V75 WeakPolarHBondContact OG1-CB 3.31Å; T71-V75 PolarHBondContact OG1-O 2.72Å; T71-V75 VanDerWaalsContact OG1-O 3.06Å; T71-Y77 HydrophobicContact CG2-CD2 3.94Å; T71-Y77 HydrophobicContact CG2-CE2 3.67Å
72	V	78.9	Confident	82.7	Confident	80 Å²	80	19.8 Å²	19.8	49%	0.485	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.2	-175.6	-62.4	0	0	0	0	114.3	H49 A51 G74	H49-V72 HydrophobicContact CB-CG1 4.37Å; H49-V72 HydrophobicContact CB-CG2 3.52Å; H49-V72 PolarHBondContact O-N 2.68Å; A51-V72 HydrophobicContact CB-CG1 3.99Å; V72-G74 VanDerWaalsContact C-N 3.35Å
73	D	80	Confident	82.4	Confident	105 Å²	105	19 Å²	19	56%	0.561	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	5.3	175.8	62.2	-22.9	0	0	0	113.7	T71	T71-D73 WeakPolarHBondContact CB-OD1 3.5Å; T71-D73 PolarHBondContact O-N 3.2Å; T71-D73 VanDerWaalsContact O-N 3.14Å; T71-D73 PolarHBondContact OG1-OD1 2.86Å
74	G	83.4	Confident	82.3	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	85	15.4	176	0	0	0	0	0	114.6	T71 V72 H102 E105	T71-G74 PolarHBondContact O-N 3.21Å; V72-G74 VanDerWaalsContact C-N 3.35Å; G74-H102 PolarHBondContact O-N 3.21Å; G74-H102 VanDerWaalsContact O-N 3.1Å; G74-E105 WeakPolarHBondContact CA-O 3.5Å
75	V	89.8	Confident	82	Confident	10 Å²	10	22.2 Å²	22.2	6%	0.061	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.4	176.5	-173	0	0	0	0	109.9	S70 T71 Y77 P99 T101	S70-V75 WeakPolarHBondContact CA-O 3.23Å; T71-V75 PolarHBondContact N-O 3.46Å; T71-V75 WeakPolarHBondContact OG1-CB 3.31Å; T71-V75 PolarHBondContact OG1-O 2.72Å; T71-V75 VanDerWaalsContact OG1-O 3.06Å; V75-Y77 HydrophobicContact CB-CD2 4.49Å; V75-Y77 HydrophobicContact CB-CE2 3.83Å; V75-Y77 HydrophobicContact CG1-CD2 4.04Å; V75-Y77 HydrophobicContact CG1-CE2 3.45Å; V75-Y77 VanDerWaalsContact CG1-CE2 3.45Å; V75-P99 HydrophobicContact CG1-CB 3.58Å; V75-P99 HydrophobicContact CG1-CG 4.38Å; V75-T101 HydrophobicContact CG2-CG2 4.08Å
76	L	92.7	Very high	81.6	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.6	175.3	-53.2	-176.8	0	0	0	109.1	W98 P99 V100 F107 F126 Y136	L76-W98 HydrophobicContact CB-CE3 4.49Å; L76-W98 HydrophobicContact CB-CZ3 3.75Å; L76-P99 CarbonylContact O-C 3.57Å; L76-P99 VanDerWaalsContact O-CA 3.27Å; L76-P99 WeakPolarHBondContact O-CA 3.37Å; L76-P99 WeakPolarHBondContact O-CB 3.37Å; L76-V100 HydrophobicContact CB-CB 4.5Å; L76-V100 PolarHBondContact N-O 2.93Å; L76-V100 PolarHBondContact O-N 3.33Å; L76-F107 HydrophobicContact CD1-CE1 4.27Å; L76-F107 HydrophobicContact CD1-CE2 4.44Å; L76-F107 HydrophobicContact CD1-CZ 4.03Å; L76-F107 HydrophobicContact CD2-CD1 4.07Å; L76-F107 HydrophobicContact CD2-CD2 3.57Å; L76-F107 HydrophobicContact CD2-CE1 4.15Å; L76-F107 HydrophobicContact CD2-CE2 3.66Å; L76-F107 HydrophobicContact CD2-CG 3.8Å; L76-F107 HydrophobicContact CD2-CZ 3.96Å; L76-F107 HydrophobicContact CG-CE2 4.16Å; L76-F107 HydrophobicContact CG-CZ 4.25Å; L76-F126 HydrophobicContact CB-CZ 4.43Å; L76-F126 HydrophobicContact CD1-CB 4.16Å; L76-F126 HydrophobicContact CD1-CD1 4.28Å; L76-F126 HydrophobicContact CD1-CD2 3.99Å; L76-F126 HydrophobicContact CD1-CE2 4.41Å; L76-F126 HydrophobicContact CD1-CG 3.9Å; L76-F126 HydrophobicContact CD2-CD1 3.64Å; L76-F126 HydrophobicContact CD2-CE1 3.83Å; L76-F126 HydrophobicContact CD2-CG 4.12Å; L76-F126 HydrophobicContact CD2-CZ 4.45Å; L76-F126 HydrophobicContact CG-CD1 4.49Å; L76-Y136 HydrophobicContact CD1-CE2 3.84Å
77	Y	90.2	Very high	80.8	Confident	30 Å²	30	27.6 Å²	27.6	12%	0.118	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.6	179.5	-72.7	-91.2	0	0	0	110.6	L48 Y68 F69 T71 V75 I93 P99	L48-Y77 HydrophobicContact CD2-CE2 4.34Å; Y68-Y77 VanDerWaalsContact CA-O 3.29Å; Y68-Y77 WeakPolarHBondContact CA-O 3.42Å; F69-Y77 HydrophobicContact CD2-CD2 4.34Å; F69-Y77 HydrophobicContact CE1-CG 4.06Å; F69-Y77 AromaticContact CE2-CD2 3.62Å; F69-Y77 HydrophobicContact CE2-CD2 3.62Å; F69-Y77 HydrophobicContact CE2-CE2 4.4Å; F69-Y77 AromaticContact CE2-CG 3.89Å; F69-Y77 HydrophobicContact CE2-CG 3.89Å; F69-Y77 HydrophobicContact CZ-CD1 4.23Å; F69-Y77 AromaticContact CZ-CD2 3.76Å; F69-Y77 HydrophobicContact CZ-CD2 3.76Å; F69-Y77 AromaticContact CZ-CG 3.51Å; F69-Y77 HydrophobicContact CZ-CG 3.51Å; F69-Y77 PolarHBondContact N-O 2.74Å; F69-Y77 VanDerWaalsContact N-O 3.15Å; F69-Y77 PolarHBondContact O-N 2.66Å; T71-Y77 HydrophobicContact CG2-CD2 3.94Å; T71-Y77 HydrophobicContact CG2-CE2 3.67Å; V75-Y77 HydrophobicContact CB-CD2 4.49Å; V75-Y77 HydrophobicContact CB-CE2 3.83Å; V75-Y77 HydrophobicContact CG1-CD2 4.04Å; V75-Y77 HydrophobicContact CG1-CE2 3.45Å; V75-Y77 VanDerWaalsContact CG1-CE2 3.45Å; Y77-I93 HydrophobicContact CD1-CG2 3.55Å; Y77-I93 HydrophobicContact CE1-CG2 3.45Å; Y77-I93 VanDerWaalsContact CE1-CG2 3.45Å; Y77-P99 HydrophobicContact CD1-CB 3.73Å; Y77-P99 HydrophobicContact CD1-CG 4.43Å; Y77-P99 HydrophobicContact CE1-CB 3.6Å; Y77-P99 HydrophobicContact CE1-CG 3.94Å; Y77-P99 HydrophobicContact CG-CB 4.26Å
78	G	90.3	Very high	79.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	119.1	166.9	0	0	0	0	0	108.1	V67 W98	V67-G78 CarbonylContact O-C 3.56Å; V67-G78 WeakPolarHBondContact O-CA 3.4Å; G78-W98 VanDerWaalsContact N-CD2 3.26Å; G78-W98 VanDerWaalsContact N-CE3 3.31Å; G78-W98 WeakPolarHBondContact O-CB 3.02Å
79	I	86.3	Confident	78	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	110.3	179	-59	177.1	0	0	0	106.9	W41 L42 D66 V67 F69 V82	W41-I79 HydrophobicContact CH2-CD1 4.31Å; W41-I79 HydrophobicContact CZ3-CD1 3.9Å; L42-I79 HydrophobicContact CD2-CD1 3.88Å; D66-I79 CarbonylContact C-O 3.55Å; D66-I79 VanDerWaalsContact CA-O 3.29Å; D66-I79 WeakPolarHBondContact CA-O 3.23Å; V67-I79 PolarHBondContact N-O 2.79Å; V67-I79 PolarHBondContact O-N 2.83Å; F69-I79 HydrophobicContact CE1-CD1 3.97Å; F69-I79 HydrophobicContact CE1-CG1 4.41Å; F69-I79 HydrophobicContact CZ-CD1 4.46Å; I79-V82 HydrophobicContact CG2-CB 4.39Å; I79-V82 HydrophobicContact CG2-CG2 4.44Å
80	S	84.6	Confident	76.6	Confident	27 Å²	27	41.6 Å²	41.6	19%	0.189	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	148	173.2	60.5	0	0	0	0	111.2	D66 V82 Y95	D66-S80 WeakPolarHBondContact OD1-CA 3.44Å; S80-V82 VanDerWaalsContact C-N 3.29Å; S80-V82 PolarHBondContact O-N 3.45Å; S80-Y95 WeakPolarHBondContact OG-CD2 3.5Å; S80-Y95 WeakPolarHBondContact OG-CE2 3.49Å
81	N	79.3	Confident	75.5	Confident	15 Å²	15	43.3 Å²	43.3	8%	0.08	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	50	47.8	173.6	-157.3	-31.9	0	0	0	113.4	N64 L65 D66 L83 K84	N64-N81 HydrophobicContact CB-CB 4Å; N64-N81 PolarHBondContact ND2-ND2 2.94Å; N64-N81 PolarHBondContact OD1-ND2 3.41Å; L65-N81 CarbonylContact O-C 3.52Å; L65-N81 WeakPolarHBondContact O-CA 3.34Å; L65-N81 PolarHBondContact O-N 3.02Å; D66-N81 PolarHBondContact OD1-N 2.97Å; D66-N81 VanDerWaalsContact OD1-N 3.16Å; N81-L83 PolarHBondContact O-N 3.36Å; N81-K84 HydrophobicContact CB-CD 4.41Å; N81-K84 VanDerWaalsContact ND2-CE 3.26Å; N81-K84 WeakPolarHBondContact ND2-CE 3.17Å; N81-K84 PolarHBondContact ND2-NZ 2.94Å; N81-K84 WeakPolarHBondContact O-CB 3.47Å; N81-K84 PolarHBondContact O-N 2.94Å; N81-K84 WeakPolarHBondContact OD1-CG 3.32Å
82	V	75.8	Confident	74.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-53	-31	-172.8	67.1	0	0	0	0	113.4	I38 W41 L65 V67 I79 S80 K84 C85 V86	I38-V82 HydrophobicContact CD1-CB 4.3Å; I38-V82 HydrophobicContact CD1-CG1 3.45Å; I38-V82 VanDerWaalsContact CD1-CG1 3.45Å; I38-V82 HydrophobicContact CD1-CG2 4.02Å; I38-V82 HydrophobicContact CG1-CG1 4.23Å; I38-V82 HydrophobicContact CG1-CG2 3.93Å; I38-V82 HydrophobicContact CG2-CG2 4Å; W41-V82 HydrophobicContact CZ3-CG2 4.45Å; L65-V82 HydrophobicContact CB-CG1 4.11Å; L65-V82 PolarHBondContact O-N 3.11Å; V67-V82 HydrophobicContact CB-CB 4.38Å; V67-V82 HydrophobicContact CB-CG2 4.48Å; V67-V82 HydrophobicContact CG2-CB 3.63Å; V67-V82 HydrophobicContact CG2-CG1 3.56Å; V67-V82 HydrophobicContact CG2-CG2 3.82Å; I79-V82 HydrophobicContact CG2-CB 4.39Å; I79-V82 HydrophobicContact CG2-CG2 4.44Å; S80-V82 VanDerWaalsContact C-N 3.29Å; S80-V82 PolarHBondContact O-N 3.45Å; V82-K84 PolarHBondContact O-N 3.43Å; V82-C85 WeakPolarHBondContact O-CA 3.44Å; V82-C85 WeakPolarHBondContact O-CB 2.98Å; V82-C85 PolarHBondContact O-N 2.92Å; V82-V86 HydrophobicContact CG2-CG2 4.16Å; V82-V86 WeakPolarHBondContact O-CG2 3.26Å; V82-V86 PolarHBondContact O-N 2.93Å
83	L	70.9	Confident	73.8	Confident	60 Å²	60	45.6 Å²	45.6	31%	0.314	28%	0.278	S	S	.	.	H	α-helix	trans	-61.6	-33	179.8	-70.8	175.5	0	0	0	112.5	I30 N81 C85 V86 S87	I30-L83 HydrophobicContact CD1-CD1 3.96Å; N81-L83 PolarHBondContact O-N 3.36Å; L83-C85 VanDerWaalsContact C-N 3.31Å; L83-V86 PolarHBondContact O-N 3.3Å; L83-S87 WeakPolarHBondContact O-CB 3.49Å; L83-S87 PolarHBondContact O-N 2.91Å; L83-S87 VanDerWaalsContact O-N 3.13Å; L83-S87 PolarHBondContact O-OG 2.88Å
84	K	71.5	Confident	73	Confident	117 Å²	117	47.2 Å²	47.2	51%	0.509	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-40.1	171.2	-78.7	177	-175.7	159.3	0	111.3	N81 V82 S87	N81-K84 HydrophobicContact CB-CD 4.41Å; N81-K84 VanDerWaalsContact ND2-CE 3.26Å; N81-K84 WeakPolarHBondContact ND2-CE 3.17Å; N81-K84 PolarHBondContact ND2-NZ 2.94Å; N81-K84 WeakPolarHBondContact O-CB 3.47Å; N81-K84 PolarHBondContact O-N 2.94Å; N81-K84 WeakPolarHBondContact OD1-CG 3.32Å; V82-K84 PolarHBondContact O-N 3.43Å; K84-S87 WeakPolarHBondContact CA-OG 3.27Å; K84-S87 PolarHBondContact O-N 3.35Å; K84-S87 PolarHBondContact O-OG 3Å
85	C	70.2	Confident	72.5	Confident	14 Å²	14	49.2 Å²	49.2	10%	0.095	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-43.7	178.8	-63.2	0	0	0	0	112	W41 V82 L83 S87 G88 C91	W41-C85 HydrophobicContact CH2-CB 3.82Å; W41-C85 HydrophobicContact CZ2-CB 3.88Å; V82-C85 WeakPolarHBondContact O-CA 3.44Å; V82-C85 WeakPolarHBondContact O-CB 2.98Å; V82-C85 PolarHBondContact O-N 2.92Å; L83-C85 VanDerWaalsContact C-N 3.31Å; C85-S87 VanDerWaalsContact C-N 3.3Å; C85-S87 PolarHBondContact O-N 3.38Å; C85-G88 PolarHBondContact O-N 2.96Å; C85-C91 HydrophobicContact CB-CB 3.38Å; C85-C91 WeakPolarHBondContact CB-SG 3.41Å; C85-C91 WeakPolarHBondContact SG-CB 3.23Å; C85-C91 CovalentContact SG-SG 2.02Å; C85-C91 PolarHBondContact SG-SG 3Å
86	V	66.6	Low	72.2	Confident	31 Å²	31	54.5 Å²	54.5	19%	0.188	31%	0.314	C	S	.	.	H	α-helix	trans	-74.9	-22.5	-179.9	-158.9	0	0	0	0	112.9	F37 W41 V82 L83 G88	F37-V86 HydrophobicContact CD1-CG1 4.17Å; F37-V86 HydrophobicContact CD1-CG2 4.42Å; F37-V86 HydrophobicContact CE1-CB 3.67Å; F37-V86 HydrophobicContact CE1-CG1 3.11Å; F37-V86 HydrophobicContact CE1-CG2 3.94Å; F37-V86 HydrophobicContact CE2-CG1 4.19Å; F37-V86 HydrophobicContact CZ-CB 4.17Å; F37-V86 HydrophobicContact CZ-CG1 3.13Å; W41-V86 HydrophobicContact CB-CG1 4.36Å; W41-V86 HydrophobicContact CB-CG2 4.44Å; W41-V86 HydrophobicContact CD2-CG2 4.02Å; W41-V86 HydrophobicContact CE3-CG2 4.41Å; W41-V86 HydrophobicContact CG-CG1 4.01Å; W41-V86 HydrophobicContact CG-CG2 4Å; V82-V86 HydrophobicContact CG2-CG2 4.16Å; V82-V86 WeakPolarHBondContact O-CG2 3.26Å; V82-V86 PolarHBondContact O-N 2.93Å; L83-V86 PolarHBondContact O-N 3.3Å; V86-G88 PolarHBondContact O-N 2.93Å
87	S	64.4	Low	72	Confident	84 Å²	84	58.3 Å²	58.3	59%	0.587	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	1.2	177.5	71.1	0	0	0	0	115.5	L83 K84 C85	L83-S87 WeakPolarHBondContact O-CB 3.49Å; L83-S87 PolarHBondContact O-N 2.91Å; L83-S87 VanDerWaalsContact O-N 3.13Å; L83-S87 PolarHBondContact O-OG 2.88Å; K84-S87 WeakPolarHBondContact CA-OG 3.27Å; K84-S87 PolarHBondContact O-N 3.35Å; K84-S87 PolarHBondContact O-OG 3Å; C85-S87 VanDerWaalsContact C-N 3.3Å; C85-S87 PolarHBondContact O-N 3.38Å
88	G	56.4	Low	72	Confident	68 Å²	68	57 Å²	57	70%	0.701	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.1	5.1	174.1	0	0	0	0	0	115.7	C85 V86	C85-G88 PolarHBondContact O-N 2.96Å; V86-G88 PolarHBondContact O-N 2.93Å
89	N	57.8	Low	72.1	Confident	99 Å²	99	58.6 Å²	58.6	53%	0.529	34%	0.339	S	S	.	.	S	Bend	trans	-74.3	148.6	165.8	-72.9	-30.3	0	0	0	109.8	C91	N89-C91 PolarHBondContact O-N 3.3Å
90	P	55.2	Low	72.3	Confident	129 Å²	129	59.8 Å²	59.8	84%	0.838	35%	0.346	S	S	*	.			trans	-58.6	112.2	174	24.4	-32.1	0	0	0	109.1
91	C	61.9	Low	72.6	Confident	35 Å²	35	61.5 Å²	61.5	24%	0.236	36%	0.356	C	S	.	.			trans	-79	122.9	173.8	-165.3	0	0	0	0	108.2	W41 C85 N89 I93	W41-C91 HydrophobicContact CH2-CB 4.33Å; W41-C91 HydrophobicContact CZ2-CB 4.39Å; C85-C91 HydrophobicContact CB-CB 3.38Å; C85-C91 WeakPolarHBondContact CB-SG 3.41Å; C85-C91 WeakPolarHBondContact SG-CB 3.23Å; C85-C91 CovalentContact SG-SG 2.02Å; C85-C91 PolarHBondContact SG-SG 3Å; N89-C91 PolarHBondContact O-N 3.3Å; C91-I93 PolarHBondContact O-N 3.08Å
92	S	59	Low	73	Confident	77 Å²	77	62.5 Å²	62.5	54%	0.538	36%	0.36	S	S	.	.			trans	-78	97.6	162.7	58.5	0	0	0	0	107.5	H94	S92-H94 WeakPolarHBondContact CB-O 3.44Å; S92-H94 CarbonylContact O-C 3.57Å; S92-H94 PolarHBondContact O-N 2.81Å; S92-H94 PolarHBondContact OG-O 3.16Å
93	I	63.1	Low	73.1	Confident	53 Å²	53	70.9 Å²	70.9	27%	0.272	40%	0.399	S	S	.	.	S	Bend	trans	-56.8	-27.5	168.2	-57.8	171.9	0	0	0	109.7	Y77 C91 Y95	Y77-I93 HydrophobicContact CD1-CG2 3.55Å; Y77-I93 HydrophobicContact CE1-CG2 3.45Å; Y77-I93 VanDerWaalsContact CE1-CG2 3.45Å; C91-I93 PolarHBondContact O-N 3.08Å; I93-Y95 PolarHBondContact O-N 2.98Å
94	H	63.2	Low	73.3	Confident	140 Å²	140	71.2 Å²	71.2	65%	0.648	42%	0.417	S	S	*	.			trans	-78	94.4	165.9	-59.6	-63.3	0	0	0	109.9	S92 W98 P99	S92-H94 WeakPolarHBondContact CB-O 3.44Å; S92-H94 CarbonylContact O-C 3.57Å; S92-H94 PolarHBondContact O-N 2.81Å; S92-H94 PolarHBondContact OG-O 3.16Å; H94-W98 WeakPolarHBondContact CA-O 3.26Å; H94-P99 VanDerWaalsContact ND1-CD 3.31Å; H94-P99 WeakPolarHBondContact ND1-CD 3.33Å
95	Y	72.8	Confident	73.9	Confident	42 Å²	42	67.5 Å²	67.5	17%	0.165	40%	0.401	C	S	.	.			trans	-110.1	109.2	170.9	176.2	-112.3	0	0	0	108.8	S80 I93 N97 W98 L139	S80-Y95 WeakPolarHBondContact OG-CD2 3.5Å; S80-Y95 WeakPolarHBondContact OG-CE2 3.49Å; I93-Y95 PolarHBondContact O-N 2.98Å; Y95-N97 PolarHBondContact O-N 3.22Å; Y95-N97 VanDerWaalsContact O-N 3.15Å; Y95-W98 AromaticContact CD1-CD1 3.86Å; Y95-W98 PolarHBondContact N-O 3.08Å; Y95-W98 WeakPolarHBondContact O-CA 3.22Å; Y95-W98 VanDerWaalsContact O-CB 3.24Å; Y95-W98 WeakPolarHBondContact O-CB 3.36Å; Y95-W98 PolarHBondContact O-N 3.43Å; Y95-L139 HydrophobicContact CE1-CD2 4.18Å; Y95-L139 WeakPolarHBondContact OH-CD2 3.49Å
96	E	83.9	Confident	74.6	Confident	121 Å²	121	69.8 Å²	69.8	57%	0.565	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	-114.6	-176.5	-61.2	-149.2	-175.5	0	0	113.6	W98 L139	E96-W98 VanDerWaalsContact C-N 3.31Å; E96-L139 HydrophobicContact CG-CD2 4.15Å; E96-L139 WeakPolarHBondContact OE1-CD2 3.04Å; E96-L139 WeakPolarHBondContact OE2-CB 3.37Å; E96-L139 WeakPolarHBondContact OE2-CD1 3.45Å; E96-L139 VanDerWaalsContact OE2-CD2 3.22Å; E96-L139 WeakPolarHBondContact OE2-CD2 3.41Å; E96-L139 WeakPolarHBondContact OE2-CG 3.45Å
97	N	88.9	Confident	75.4	Confident	79 Å²	79	68.3 Å²	68.3	42%	0.422	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.3	179.4	-62.2	-42.6	0	0	0	113.1	Y95 P99 V100 L139 N141	Y95-N97 PolarHBondContact O-N 3.22Å; Y95-N97 VanDerWaalsContact O-N 3.15Å; N97-P99 CarbonylContact O-C 3.53Å; N97-V100 WeakPolarHBondContact O-CG2 3.29Å; N97-L139 WeakPolarHBondContact CB-O 3.35Å; N97-L139 PolarHBondContact N-O 3.32Å; N97-N141 PolarHBondContact ND2-OD1 3.4Å
98	W	90.3	Very high	76	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.015	39%	0.392	C	S	.	.			trans	-78.4	144.7	172.2	-59.4	102.5	0	0	0	111.1	Y68 L76 G78 H94 Y95 E96 V100 F126 Y136 Y138 G140	Y68-W98 HydrophobicContact CD1-CH2 4.17Å; Y68-W98 AromaticContact CD1-CZ2 3.77Å; Y68-W98 HydrophobicContact CD1-CZ2 3.77Å; Y68-W98 AromaticContact CE1-CE2 3.85Å; Y68-W98 HydrophobicContact CE1-CH2 4.47Å; Y68-W98 AromaticContact CE1-CZ2 3.63Å; Y68-W98 HydrophobicContact CE1-CZ2 3.63Å; Y68-W98 AromaticContact CE1-NE1 3.95Å; L76-W98 HydrophobicContact CB-CE3 4.49Å; L76-W98 HydrophobicContact CB-CZ3 3.75Å; G78-W98 VanDerWaalsContact N-CD2 3.26Å; G78-W98 VanDerWaalsContact N-CE3 3.31Å; G78-W98 WeakPolarHBondContact O-CB 3.02Å; H94-W98 WeakPolarHBondContact CA-O 3.26Å; Y95-W98 AromaticContact CD1-CD1 3.86Å; Y95-W98 PolarHBondContact N-O 3.08Å; Y95-W98 WeakPolarHBondContact O-CA 3.22Å; Y95-W98 VanDerWaalsContact O-CB 3.24Å; Y95-W98 WeakPolarHBondContact O-CB 3.36Å; Y95-W98 PolarHBondContact O-N 3.43Å; E96-W98 VanDerWaalsContact C-N 3.31Å; W98-V100 HydrophobicContact CE3-CB 4.42Å; W98-V100 HydrophobicContact CE3-CG2 3.92Å; W98-V100 HydrophobicContact CZ3-CB 4.38Å; W98-V100 HydrophobicContact CZ3-CG2 4.08Å; W98-F126 AromaticContact CH2-CE2 3.96Å; W98-F126 HydrophobicContact CH2-CE2 3.96Å; W98-F126 HydrophobicContact CZ3-CE2 4.45Å; W98-Y136 HydrophobicContact CH2-CD1 4.49Å; W98-Y136 HydrophobicContact CH2-CD2 4.3Å; W98-Y136 HydrophobicContact CH2-CG 4.06Å; W98-Y136 HydrophobicContact CZ2-CG 4.48Å; W98-Y138 PolarHBondContact NE1-O 3.41Å; W98-Y138 VanDerWaalsContact NE1-O 3.08Å; W98-G140 VanDerWaalsContact CE2-CA 3.43Å
99	P	91.1	Very high	77	Confident	34 Å²	34	65.2 Å²	65.2	22%	0.221	36%	0.36	C	S	.	.	S	Bend	cis	-76.1	154.8	-5.4	31.1	-34.1	0	0	0	113.5	V75 L76 Y77 H94 N97	V75-P99 HydrophobicContact CG1-CB 3.58Å; V75-P99 HydrophobicContact CG1-CG 4.38Å; L76-P99 CarbonylContact O-C 3.57Å; L76-P99 VanDerWaalsContact O-CA 3.27Å; L76-P99 WeakPolarHBondContact O-CA 3.37Å; L76-P99 WeakPolarHBondContact O-CB 3.37Å; Y77-P99 HydrophobicContact CD1-CB 3.73Å; Y77-P99 HydrophobicContact CD1-CG 4.43Å; Y77-P99 HydrophobicContact CE1-CB 3.6Å; Y77-P99 HydrophobicContact CE1-CG 3.94Å; Y77-P99 HydrophobicContact CG-CB 4.26Å; H94-P99 VanDerWaalsContact ND1-CD 3.31Å; H94-P99 WeakPolarHBondContact ND1-CD 3.33Å; N97-P99 CarbonylContact O-C 3.53Å
100	V	91.4	Very high	78	Confident	26 Å²	26	61.8 Å²	61.8	16%	0.158	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.6	175.5	-178.2	0	0	0	0	109.2	L76 N97 W98 Y136	L76-V100 HydrophobicContact CB-CB 4.5Å; L76-V100 PolarHBondContact N-O 2.93Å; L76-V100 PolarHBondContact O-N 3.33Å; N97-V100 WeakPolarHBondContact O-CG2 3.29Å; W98-V100 HydrophobicContact CE3-CB 4.42Å; W98-V100 HydrophobicContact CE3-CG2 3.92Å; W98-V100 HydrophobicContact CZ3-CB 4.38Å; W98-V100 HydrophobicContact CZ3-CG2 4.08Å; V100-Y136 HydrophobicContact CG1-CE1 4.22Å; V100-Y136 HydrophobicContact CG2-CE1 4.31Å
101	T	90.2	Very high	79.5	Confident	64 Å²	64	55.8 Å²	55.8	39%	0.393	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.1	-177.3	-55.6	0	0	0	0	111.5	V75	V75-T101 HydrophobicContact CG2-CG2 4.08Å
102	H	88.3	Confident	80.6	Confident	36 Å²	36	55.3 Å²	55.3	17%	0.167	30%	0.299	C	S	.	.			trans	-110.9	96.6	168.3	-70.1	-80.3	0	0	0	109.8	G74 G104 E105 F107 F134 Y136	G74-H102 PolarHBondContact O-N 3.21Å; G74-H102 VanDerWaalsContact O-N 3.1Å; H102-G104 PolarHBondContact O-N 3.49Å; H102-E105 HydrophobicContact CB-CB 3.85Å; H102-E105 HydrophobicContact CB-CG 4.1Å; H102-E105 PolarHBondContact O-N 2.97Å; H102-F107 HydrophobicContact CB-CE2 4.21Å; H102-F107 HydrophobicContact CB-CZ 4.28Å; H102-F107 AromaticContact CD2-CZ 3.81Å; H102-F134 AromaticContact CE1-CD1 3.75Å; H102-F134 AromaticContact CE1-CE1 3.32Å; H102-F134 WeakPolarHBondContact CE1-CE1 3.05Å; H102-F134 AromaticContact CE1-CZ 3.57Å; H102-F134 AromaticContact ND1-CE1 3.9Å; H102-F134 AromaticContact ND1-CZ 3.74Å; H102-F134 AromaticContact NE2-CE1 3.99Å; H102-Y136 PolarHBondContact CE1-OH 3.16Å; H102-Y136 AromaticContact NE2-CZ 3.94Å; H102-Y136 PolarHBondContact NE2-OH 3.32Å
103	H	77.3	Confident	81.9	Confident	175 Å²	175	52.2 Å²	52.2	81%	0.81	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	121.5	-177.8	-65.8	-63.4	0	0	0	111.7
104	G	76.6	Confident	82.9	Confident	67 Å²	67	49.8 Å²	49.8	69%	0.691	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-0.9	177.3	0	0	0	0	0	115.1	H102	H102-G104 PolarHBondContact O-N 3.49Å
105	E	84.2	Confident	83.8	Confident	39 Å²	39	45.1 Å²	45.1	18%	0.182	25%	0.245	C	C	.	.			trans	-96.7	149.9	173.2	-69.9	-62.3	141.1	0	0	111.2	G74 H102 F107 S128 H130	G74-E105 WeakPolarHBondContact CA-O 3.5Å; H102-E105 HydrophobicContact CB-CB 3.85Å; H102-E105 HydrophobicContact CB-CG 4.1Å; H102-E105 PolarHBondContact O-N 2.97Å; E105-F107 HydrophobicContact CB-CE2 3.92Å; E105-F107 HydrophobicContact CB-CZ 4.22Å; E105-S128 WeakPolarHBondContact OE2-CB 3.39Å; E105-S128 PolarHBondContact OE2-OG 3.4Å; E105-H130 VanDerWaalsContact CD-ND1 3.25Å; E105-H130 IonicContact OE1-CE1 3.2Å; E105-H130 IonicContact OE1-CG 3.61Å; E105-H130 IonicContact OE1-ND1 2.68Å; E105-H130 PolarHBondContact OE1-ND1 3.43Å; E105-H130 IonicContact OE2-CG 2.86Å; E105-H130 IonicContact OE2-ND1 3.07Å; E105-H130 PolarHBondContact OE2-ND1 3.4Å
106	I	83.3	Confident	84	Confident	62 Å²	62	43.3 Å²	43.3	32%	0.318	24%	0.238	S	C	.	.			trans	-128.2	144.2	172.8	-58	173.8	0	0	0	107.6	F108 S128 H129	I106-F108 HydrophobicContact CB-CE2 4.18Å; I106-F108 HydrophobicContact CB-CZ 4.37Å; I106-F108 HydrophobicContact CG2-CD1 4.33Å; I106-F108 HydrophobicContact CG2-CD2 4.18Å; I106-F108 HydrophobicContact CG2-CE1 3.91Å; I106-F108 HydrophobicContact CG2-CE2 3.74Å; I106-F108 HydrophobicContact CG2-CG 4.46Å; I106-F108 HydrophobicContact CG2-CZ 3.6Å; I106-S128 CarbonylContact O-C 3.57Å; I106-H129 HydrophobicContact CB-CB 4.4Å; I106-H129 VanDerWaalsContact O-CB 3.27Å; I106-H129 WeakPolarHBondContact O-CB 3.47Å; I106-H129 PolarHBondContact O-N 2.81Å
107	F	84.9	Confident	83.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.			trans	-121.5	92.1	-176.6	-62.4	-97.8	0	0	0	109.6	S70 L76 H102 E105 F126 I127 F134	S70-F107 PolarHBondContact OG-O 3.44Å; L76-F107 HydrophobicContact CD1-CE1 4.27Å; L76-F107 HydrophobicContact CD1-CE2 4.44Å; L76-F107 HydrophobicContact CD1-CZ 4.03Å; L76-F107 HydrophobicContact CD2-CD1 4.07Å; L76-F107 HydrophobicContact CD2-CD2 3.57Å; L76-F107 HydrophobicContact CD2-CE1 4.15Å; L76-F107 HydrophobicContact CD2-CE2 3.66Å; L76-F107 HydrophobicContact CD2-CG 3.8Å; L76-F107 HydrophobicContact CD2-CZ 3.96Å; L76-F107 HydrophobicContact CG-CE2 4.16Å; L76-F107 HydrophobicContact CG-CZ 4.25Å; H102-F107 HydrophobicContact CB-CE2 4.21Å; H102-F107 HydrophobicContact CB-CZ 4.28Å; H102-F107 AromaticContact CD2-CZ 3.81Å; E105-F107 HydrophobicContact CB-CE2 3.92Å; E105-F107 HydrophobicContact CB-CZ 4.22Å; F107-F126 HydrophobicContact CD1-CB 3.91Å; F107-F126 HydrophobicContact CE1-CB 3.92Å; F107-I127 WeakPolarHBondContact CD1-O 3.2Å; F107-F134 AromaticContact CE1-CD2 3.84Å; F107-F134 HydrophobicContact CE1-CD2 3.84Å; F107-F134 HydrophobicContact CE1-CE2 4.01Å; F107-F134 HydrophobicContact CZ-CD2 4.16Å; F107-F134 AromaticContact CZ-CE2 3.99Å; F107-F134 HydrophobicContact CZ-CE2 3.99Å
108	F	75.6	Confident	82.6	Confident	85 Å²	85	38.3 Å²	38.3	37%	0.373	22%	0.217	S	C	.	.			trans	-78.4	-29.9	178	-64.8	-70.5	0	0	0	112.9	S52 I106 H129 Y195	S52-F108 WeakPolarHBondContact CB-O 3.39Å; I106-F108 HydrophobicContact CB-CE2 4.18Å; I106-F108 HydrophobicContact CB-CZ 4.37Å; I106-F108 HydrophobicContact CG2-CD1 4.33Å; I106-F108 HydrophobicContact CG2-CD2 4.18Å; I106-F108 HydrophobicContact CG2-CE1 3.91Å; I106-F108 HydrophobicContact CG2-CE2 3.74Å; I106-F108 HydrophobicContact CG2-CG 4.46Å; I106-F108 HydrophobicContact CG2-CZ 3.6Å; F108-H129 HydrophobicContact CD2-CB 4.07Å; F108-H129 AromaticContact CD2-CD2 3.76Å; F108-H129 HydrophobicContact CE2-CB 4.01Å; F108-H129 AromaticContact CE2-CD2 3.46Å; F108-H129 VanDerWaalsContact CE2-CD2 3.46Å; F108-H129 WeakPolarHBondContact CE2-CD2 3.44Å; F108-H129 AromaticContact CE2-CG 3.87Å; F108-Y195 AromaticContact CD2-CD1 3.92Å; F108-Y195 HydrophobicContact CD2-CD1 3.92Å; F108-Y195 HydrophobicContact CD2-CE1 4.19Å; F108-Y195 HydrophobicContact CE2-CD1 4.22Å; F108-Y195 HydrophobicContact CE2-CE1 4.04Å; F108-Y195 HydrophobicContact CG-CD1 4.38Å
109	S	77.9	Confident	81.6	Confident	2 Å²	2	44 Å²	44	1%	0.014	24%	0.243	C	C	.	.	S	Bend	trans	-71.3	144.6	177.9	-53.9	0	0	0	0	110.9	S52 T196	S52-S109 WeakPolarHBondContact CB-O 3.47Å; S52-S109 PolarHBondContact OG-O 3.07Å; S109-T196 PolarHBondContact OG-O 3.2Å
110	T	79.1	Confident	80.7	Confident	27 Å²	27	44.1 Å²	44.1	17%	0.166	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-63.7	138	168	53.3	0	0	0	0	110.4	N53 D197	N53-T110 HydrophobicContact CB-CG2 3.62Å; T110-D197 WeakPolarHBondContact CB-OD1 3.4Å; T110-D197 VanDerWaalsContact CG2-OD1 3.32Å; T110-D197 WeakPolarHBondContact CG2-OD1 3.43Å; T110-D197 PolarHBondContact N-OD1 3Å; T110-D197 PolarHBondContact OG1-OD1 2.83Å
111	P	85.8	Confident	80	Confident	4 Å²	4	48.1 Å²	48.1	3%	0.026	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-65	148.8	172.4	17.7	-18.2	0	0	0	110.9	N53 L55 Y68 V124 L125 F126	N53-P111 VanDerWaalsContact O-CD 3.32Å; N53-P111 WeakPolarHBondContact O-CD 3.29Å; L55-P111 HydrophobicContact CB-CB 4Å; L55-P111 HydrophobicContact CB-CG 3.69Å; L55-P111 HydrophobicContact CD2-CB 4.37Å; Y68-P111 VanDerWaalsContact O-CG 3.26Å; Y68-P111 WeakPolarHBondContact O-CG 3.25Å; P111-V124 HydrophobicContact CB-CG1 4.36Å; P111-L125 WeakPolarHBondContact CA-O 3.32Å; P111-F126 HydrophobicContact CB-CD1 3.86Å; P111-F126 HydrophobicContact CB-CE1 3.56Å; P111-F126 HydrophobicContact CB-CE2 4.39Å; P111-F126 HydrophobicContact CB-CG 4.42Å; P111-F126 HydrophobicContact CB-CZ 3.86Å; P111-F126 HydrophobicContact CG-CD1 4.42Å; P111-F126 HydrophobicContact CG-CE1 3.8Å; P111-F126 HydrophobicContact CG-CZ 4.26Å
112	L	85.9	Confident	79.6	Confident	25 Å²	25	47.4 Å²	47.4	13%	0.131	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.5	-179.1	-68.5	-177.6	0	0	0	111.1	L125 P198 I200 L221	L112-L125 HydrophobicContact CB-CB 4.36Å; L112-L125 PolarHBondContact N-O 2.97Å; L112-L125 PolarHBondContact O-N 2.83Å; L112-P198 HydrophobicContact CD1-CB 3.82Å; L112-P198 HydrophobicContact CD1-CG 3.33Å; L112-P198 HydrophobicContact CG-CG 3.89Å; L112-I200 HydrophobicContact CB-CD1 4.17Å; L112-I200 HydrophobicContact CD1-CD1 4.14Å; L112-I200 HydrophobicContact CD1-CG1 3.62Å; L112-I200 HydrophobicContact CD2-CD1 4.36Å; L112-I200 HydrophobicContact CD2-CG1 4.4Å; L112-I200 HydrophobicContact CG-CD1 4.49Å; L112-I200 HydrophobicContact CG-CG1 4.43Å; L112-L221 HydrophobicContact CD1-CD2 4.14Å
113	A	86.3	Confident	79.6	Confident	11 Å²	11	46.1 Å²	46.1	9%	0.091	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124	162.5	0	0	0	0	0	109.4	L55 E57 I59 K122 I200	L55-A113 HydrophobicContact CD1-CB 4.19Å; L55-A113 HydrophobicContact CD2-CB 4.05Å; E57-A113 WeakPolarHBondContact OE2-CB 3.36Å; I59-A113 HydrophobicContact CD1-CB 3.5Å; I59-A113 VanDerWaalsContact CD1-CB 3.5Å; A113-K122 HydrophobicContact CB-CD 4.39Å; A113-I200 WeakPolarHBondContact O-CD1 3.19Å
114	V	84.2	Confident	80.3	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131.3	-178.4	63.6	0	0	0	0	111.4	V116 S123 L125 I200 L220	V114-V116 HydrophobicContact CG1-CG2 3.87Å; V114-V116 HydrophobicContact CG2-CG2 4.38Å; V114-V116 PolarHBondContact O-N 3.3Å; V114-S123 PolarHBondContact N-O 2.9Å; V114-S123 PolarHBondContact O-N 2.92Å; V114-L125 HydrophobicContact CG1-CB 4.03Å; V114-L125 HydrophobicContact CG1-CD1 4.13Å; V114-I200 HydrophobicContact CB-CD1 4.29Å; V114-I200 HydrophobicContact CG2-CG2 4.34Å; V114-L220 HydrophobicContact CG2-CD1 3.84Å; V114-L220 HydrophobicContact CG2-CD2 3.57Å; V114-L220 HydrophobicContact CG2-CG 3.92Å
115	D	81.5	Confident	81.1	Confident	42 Å²	42	34.7 Å²	34.7	23%	0.225	19%	0.187	C	C	.	.			trans	-90.5	87.9	168.5	-176.2	-1.7	0	0	0	108.7	Y117 A118 E119 G120 R259	D115-Y117 PolarHBondContact O-N 3Å; D115-Y117 PolarHBondContact OD1-N 2.75Å; D115-A118 VanDerWaalsContact CG-N 3.35Å; D115-A118 PolarHBondContact O-N 2.96Å; D115-A118 VanDerWaalsContact OD1-CA 3.24Å; D115-A118 WeakPolarHBondContact OD1-CA 3.24Å; D115-A118 PolarHBondContact OD1-N 2.99Å; D115-A118 WeakPolarHBondContact OD2-CA 3.32Å; D115-E119 PolarHBondContact OD1-N 3.04Å; D115-E119 VanDerWaalsContact OD1-N 3.09Å; D115-E119 PolarHBondContact OD2-N 2.81Å; D115-E119 VanDerWaalsContact OD2-N 3.11Å; D115-G120 VanDerWaalsContact OD2-CA 3.31Å; D115-G120 WeakPolarHBondContact OD2-CA 3.4Å; D115-G120 PolarHBondContact OD2-N 3.47Å; D115-R259 PolarHBondContact O-NH1 3.21Å
116	V	76.9	Confident	81.6	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.018	18%	0.178	C	C	.	.	S	Bend	trans	-61.2	-38.9	-178.6	-177.3	0	0	0	0	110.4	V114 L220 R259 L262 F263	V114-V116 HydrophobicContact CG1-CG2 3.87Å; V114-V116 HydrophobicContact CG2-CG2 4.38Å; V114-V116 PolarHBondContact O-N 3.3Å; V116-L220 HydrophobicContact CG1-CD2 4.44Å; V116-L220 HydrophobicContact CG2-CD2 4.23Å; V116-R259 PolarHBondContact O-NH1 3.18Å; V116-L262 HydrophobicContact CG1-CB 4.12Å; V116-F263 HydrophobicContact CG1-CD2 4.08Å; V116-F263 HydrophobicContact CG1-CE2 3.87Å
117	Y	73	Confident	81.9	Confident	58 Å²	58	30.1 Å²	30.1	23%	0.227	16%	0.164	C	C	.	.	S	Bend	trans	-85.8	-16	-175.2	-60.6	-81	0	0	0	113.5	D115 E119 R207 F263	D115-Y117 PolarHBondContact O-N 3Å; D115-Y117 PolarHBondContact OD1-N 2.75Å; Y117-E119 PolarHBondContact O-N 3.25Å; Y117-R207 PolarHBondContact O-NH2 3.36Å; Y117-F263 HydrophobicContact CD1-CD1 4.24Å; Y117-F263 AromaticContact CD1-CE1 3.4Å; Y117-F263 HydrophobicContact CD1-CE1 3.4Å; Y117-F263 VanDerWaalsContact CD1-CE1 3.4Å; Y117-F263 HydrophobicContact CD1-CE2 4.46Å; Y117-F263 AromaticContact CD1-CZ 3.51Å; Y117-F263 HydrophobicContact CD1-CZ 3.51Å; Y117-F263 AromaticContact CE1-CD1 3.66Å; Y117-F263 HydrophobicContact CE1-CD1 3.66Å; Y117-F263 AromaticContact CE1-CE1 3.3Å; Y117-F263 HydrophobicContact CE1-CE1 3.3Å; Y117-F263 HydrophobicContact CE1-CG 4.42Å; Y117-F263 AromaticContact CE1-CZ 3.77Å; Y117-F263 HydrophobicContact CE1-CZ 3.77Å; Y117-F263 HydrophobicContact CG-CZ 4.42Å
118	A	70.3	Confident	82.2	Confident	38 Å²	38	30.1 Å²	30.1	31%	0.314	16%	0.164	S	C	.	.	S	Bend	trans	53.8	40.5	-165.9	0	0	0	0	0	112.6	D115 F215	D115-A118 VanDerWaalsContact CG-N 3.35Å; D115-A118 PolarHBondContact O-N 2.96Å; D115-A118 VanDerWaalsContact OD1-CA 3.24Å; D115-A118 WeakPolarHBondContact OD1-CA 3.24Å; D115-A118 PolarHBondContact OD1-N 2.99Å; D115-A118 WeakPolarHBondContact OD2-CA 3.32Å; A118-F215 HydrophobicContact CB-CE1 3.88Å; A118-F215 HydrophobicContact CB-CE2 4.31Å; A118-F215 HydrophobicContact CB-CZ 3.38Å
119	E	69.7	Low	82.8	Confident	122 Å²	122	27.4 Å²	27.4	57%	0.57	15%	0.152	S	C	*	.	S	Bend	trans	-109.6	2	179.6	-67.5	-175.4	174.9	0	0	112.7	D115 Y117 L121 R207	D115-E119 PolarHBondContact OD1-N 3.04Å; D115-E119 VanDerWaalsContact OD1-N 3.09Å; D115-E119 PolarHBondContact OD2-N 2.81Å; D115-E119 VanDerWaalsContact OD2-N 3.11Å; Y117-E119 PolarHBondContact O-N 3.25Å; E119-L121 VanDerWaalsContact C-N 3.27Å; E119-R207 IonicContact OE1-NH2 2.74Å; E119-R207 PolarHBondContact OE1-NH2 3.36Å
120	G	71.5	Confident	83.3	Confident	38 Å²	38	30.2 Å²	30.2	39%	0.392	17%	0.165	S	C	.	.	S	Bend	trans	87.1	-10.8	-174.2	0	0	0	0	0	113.6	D115	D115-G120 VanDerWaalsContact OD2-CA 3.31Å; D115-G120 WeakPolarHBondContact OD2-CA 3.4Å; D115-G120 PolarHBondContact OD2-N 3.47Å
121	L	76.7	Confident	83.9	Confident	109 Å²	109	28.9 Å²	28.9	57%	0.571	16%	0.157	S	C	*	.			trans	-83.7	115.6	175.3	-63.8	177.3	0	0	0	109.8	E119	E119-L121 VanDerWaalsContact C-N 3.27Å
122	K	83.7	Confident	84.2	Confident	50 Å²	50	29.3 Å²	29.3	22%	0.217	16%	0.16	C	C	.	.			trans	-88.6	143.4	179.2	-66.4	175.9	-173.1	169.3	0	110.3	E57 I59 A113	E57-K122 IonicContact OE1-NZ 3.27Å; E57-K122 PolarHBondContact OE1-NZ 3.27Å; I59-K122 HydrophobicContact CD1-CB 4Å; I59-K122 HydrophobicContact CD1-CD 4.24Å; I59-K122 HydrophobicContact CG2-CB 4.13Å; I59-K122 WeakPolarHBondContact CG2-O 3.23Å; A113-K122 HydrophobicContact CB-CD 4.39Å
123	S	88.2	Confident	84.6	Confident	9 Å²	9	28.1 Å²	28.1	6%	0.063	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	155	168.9	-57.5	0	0	0	0	108.9	V114 Y136 L143	V114-S123 PolarHBondContact N-O 2.9Å; V114-S123 PolarHBondContact O-N 2.92Å; S123-Y136 WeakPolarHBondContact CA-O 3.47Å; S123-Y136 WeakPolarHBondContact CB-O 3.34Å; S123-L143 WeakPolarHBondContact OG-CD1 3.41Å
124	V	91.4	Very high	84.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.6	177.5	-172.7	0	0	0	0	108.9	L55 I59 Y68 P111 F126 T135 Y136	L55-V124 HydrophobicContact CD2-CG1 4.01Å; I59-V124 HydrophobicContact CD1-CG2 4.45Å; I59-V124 HydrophobicContact CG1-CG2 4.03Å; I59-V124 HydrophobicContact CG2-CG2 4.02Å; Y68-V124 HydrophobicContact CD1-CB 4.37Å; Y68-V124 HydrophobicContact CD1-CG1 4.05Å; Y68-V124 HydrophobicContact CD1-CG2 3.9Å; Y68-V124 HydrophobicContact CD2-CG1 4.31Å; Y68-V124 HydrophobicContact CD2-CG2 3.76Å; Y68-V124 HydrophobicContact CE1-CG2 3.82Å; Y68-V124 HydrophobicContact CE2-CG2 3.68Å; Y68-V124 HydrophobicContact CG-CB 4.41Å; Y68-V124 HydrophobicContact CG-CG1 3.79Å; Y68-V124 HydrophobicContact CG-CG2 3.86Å; P111-V124 HydrophobicContact CB-CG1 4.36Å; V124-F126 HydrophobicContact CB-CE2 4.4Å; V124-F126 HydrophobicContact CG1-CD2 4Å; V124-F126 HydrophobicContact CG1-CE2 3.43Å; V124-F126 VanDerWaalsContact CG1-CE2 3.43Å; V124-F126 HydrophobicContact CG1-CZ 4.09Å; V124-T135 WeakPolarHBondContact O-CA 3.46Å; V124-Y136 PolarHBondContact N-O 3.05Å; V124-Y136 PolarHBondContact O-N 2.91Å
125	L	93.2	Very high	85.3	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129	-177.6	-172.9	152	0	0	0	110.5	P111 L112 V114 I127 V133 F134 T135 L221 L262	P111-L125 WeakPolarHBondContact CA-O 3.32Å; L112-L125 HydrophobicContact CB-CB 4.36Å; L112-L125 PolarHBondContact N-O 2.97Å; L112-L125 PolarHBondContact O-N 2.83Å; V114-L125 HydrophobicContact CG1-CB 4.03Å; V114-L125 HydrophobicContact CG1-CD1 4.13Å; L125-I127 HydrophobicContact CD2-CD1 3.94Å; L125-I127 HydrophobicContact CD2-CG1 3.46Å; L125-I127 VanDerWaalsContact CD2-CG1 3.46Å; L125-V133 HydrophobicContact CD1-CG1 3.61Å; L125-V133 HydrophobicContact CD2-CG1 3.86Å; L125-V133 HydrophobicContact CG-CG1 3.71Å; L125-F134 WeakPolarHBondContact CA-O 3.37Å; L125-T135 HydrophobicContact CD1-CG2 4.03Å; L125-T135 HydrophobicContact CG-CG2 4.33Å; L125-L221 HydrophobicContact CD1-CD1 3.36Å; L125-L221 HydrophobicContact CD1-CD2 4.22Å; L125-L221 HydrophobicContact CD1-CG 4.29Å; L125-L221 HydrophobicContact CD2-CD1 4.15Å; L125-L221 HydrophobicContact CG-CD1 4.41Å; L125-L262 HydrophobicContact CD1-CD1 4.23Å
126	F	93.6	Very high	85.8	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.1	173	-70.8	-92	0	0	0	109.6	L76 W98 F107 P111 V124 F134 Y136	L76-F126 HydrophobicContact CB-CZ 4.43Å; L76-F126 HydrophobicContact CD1-CB 4.16Å; L76-F126 HydrophobicContact CD1-CD1 4.28Å; L76-F126 HydrophobicContact CD1-CD2 3.99Å; L76-F126 HydrophobicContact CD1-CE2 4.41Å; L76-F126 HydrophobicContact CD1-CG 3.9Å; L76-F126 HydrophobicContact CD2-CD1 3.64Å; L76-F126 HydrophobicContact CD2-CE1 3.83Å; L76-F126 HydrophobicContact CD2-CG 4.12Å; L76-F126 HydrophobicContact CD2-CZ 4.45Å; L76-F126 HydrophobicContact CG-CD1 4.49Å; W98-F126 AromaticContact CH2-CE2 3.96Å; W98-F126 HydrophobicContact CH2-CE2 3.96Å; W98-F126 HydrophobicContact CZ3-CE2 4.45Å; F107-F126 HydrophobicContact CD1-CB 3.91Å; F107-F126 HydrophobicContact CE1-CB 3.92Å; P111-F126 HydrophobicContact CB-CD1 3.86Å; P111-F126 HydrophobicContact CB-CE1 3.56Å; P111-F126 HydrophobicContact CB-CE2 4.39Å; P111-F126 HydrophobicContact CB-CG 4.42Å; P111-F126 HydrophobicContact CB-CZ 3.86Å; P111-F126 HydrophobicContact CG-CD1 4.42Å; P111-F126 HydrophobicContact CG-CE1 3.8Å; P111-F126 HydrophobicContact CG-CZ 4.26Å; V124-F126 HydrophobicContact CB-CE2 4.4Å; V124-F126 HydrophobicContact CG1-CD2 4Å; V124-F126 HydrophobicContact CG1-CE2 3.43Å; V124-F126 VanDerWaalsContact CG1-CE2 3.43Å; V124-F126 HydrophobicContact CG1-CZ 4.09Å; F126-F134 PolarHBondContact N-O 2.64Å; F126-F134 PolarHBondContact O-N 3.4Å; F126-Y136 HydrophobicContact CD2-CD2 4.04Å; F126-Y136 HydrophobicContact CD2-CE2 4.41Å
127	I	91.3	Very high	86.5	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.015	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.5	174.2	-51.7	-169.9	0	0	0	108.4	F107 L125 T132 V133 V194 P198 I223	F107-I127 WeakPolarHBondContact CD1-O 3.2Å; L125-I127 HydrophobicContact CD2-CD1 3.94Å; L125-I127 HydrophobicContact CD2-CG1 3.46Å; L125-I127 VanDerWaalsContact CD2-CG1 3.46Å; I127-T132 WeakPolarHBondContact CA-O 3.12Å; I127-V133 HydrophobicContact CD1-CG2 4.19Å; I127-V133 HydrophobicContact CG1-CG2 4.12Å; I127-V133 HydrophobicContact CG2-CG2 4.35Å; I127-V194 HydrophobicContact CG2-CB 4.2Å; I127-V194 HydrophobicContact CG2-CG1 4.15Å; I127-V194 HydrophobicContact CG2-CG2 3.99Å; I127-P198 HydrophobicContact CD1-CB 3.66Å; I127-P198 HydrophobicContact CD1-CG 3.53Å; I127-P198 HydrophobicContact CG1-CG 4.28Å; I127-I223 HydrophobicContact CD1-CD1 3.7Å; I127-I223 HydrophobicContact CD1-CG1 4.1Å
128	S	91.2	Very high	87.2	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.			trans	-80.2	163	177.4	87.3	0	0	0	0	112	E105 I106 H130 A131 T132	E105-S128 WeakPolarHBondContact OE2-CB 3.39Å; E105-S128 PolarHBondContact OE2-OG 3.4Å; I106-S128 CarbonylContact O-C 3.57Å; S128-H130 PolarHBondContact O-N 3.3Å; S128-H130 PolarHBondContact OG-N 2.82Å; S128-A131 WeakPolarHBondContact O-CA 3.23Å; S128-A131 PolarHBondContact O-N 2.96Å; S128-T132 PolarHBondContact N-O 3.33Å; S128-T132 WeakPolarHBondContact OG-CB 3.44Å; S128-T132 PolarHBondContact OG-N 3.31Å
129	H	86.7	Confident	88.2	Confident	28 Å²	28	28.8 Å²	28.8	13%	0.13	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-39.8	176	173.6	-106.2	0	0	0	111.5	I106 F108 A131 I193 V194 Y195	I106-H129 HydrophobicContact CB-CB 4.4Å; I106-H129 VanDerWaalsContact O-CB 3.27Å; I106-H129 WeakPolarHBondContact O-CB 3.47Å; I106-H129 PolarHBondContact O-N 2.81Å; F108-H129 HydrophobicContact CD2-CB 4.07Å; F108-H129 AromaticContact CD2-CD2 3.76Å; F108-H129 HydrophobicContact CE2-CB 4.01Å; F108-H129 AromaticContact CE2-CD2 3.46Å; F108-H129 VanDerWaalsContact CE2-CD2 3.46Å; F108-H129 WeakPolarHBondContact CE2-CD2 3.44Å; F108-H129 AromaticContact CE2-CG 3.87Å; H129-A131 PolarHBondContact O-N 2.89Å; H129-I193 WeakPolarHBondContact NE2-CG2 3.14Å; H129-I193 CarbonylContact O-C 3.4Å; H129-I193 VanDerWaalsContact O-CA 3.23Å; H129-I193 WeakPolarHBondContact O-CA 3.44Å; H129-V194 PolarHBondContact O-N 3.14Å; H129-Y195 AromaticContact CD2-CE1 3.52Å; H129-Y195 AromaticContact CD2-CZ 3.94Å; H129-Y195 AromaticContact NE2-CE1 3.48Å; H129-Y195 WeakPolarHBondContact NE2-CE1 3.37Å; H129-Y195 AromaticContact NE2-CZ 3.46Å; H129-Y195 PolarHBondContact NE2-OH 3.36Å; H129-Y195 VanDerWaalsContact NE2-OH 3.14Å
130	H	89.7	Confident	89.2	Confident	61 Å²	61	23.2 Å²	23.2	28%	0.282	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	18.5	174.7	-56.2	112.1	0	0	0	114.3	E105 S128 T132 Q147 P192 Y230	E105-H130 VanDerWaalsContact CD-ND1 3.25Å; E105-H130 IonicContact OE1-CE1 3.2Å; E105-H130 IonicContact OE1-CG 3.61Å; E105-H130 IonicContact OE1-ND1 2.68Å; E105-H130 PolarHBondContact OE1-ND1 3.43Å; E105-H130 IonicContact OE2-CG 2.86Å; E105-H130 IonicContact OE2-ND1 3.07Å; E105-H130 PolarHBondContact OE2-ND1 3.4Å; S128-H130 PolarHBondContact O-N 3.3Å; S128-H130 PolarHBondContact OG-N 2.82Å; H130-T132 VanDerWaalsContact C-N 3.31Å; H130-T132 PolarHBondContact O-N 2.91Å; H130-Q147 PolarHBondContact O-NE2 2.7Å; H130-P192 CarbonylContact C-O 3.57Å; H130-Y230 PolarHBondContact CD2-OH 3.33Å; H130-Y230 VanDerWaalsContact CD2-OH 3.24Å
131	A	91.3	Very high	90.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.			trans	62.8	30.6	175.6	0	0	0	0	0	115.1	S128 H129 I148 P192 V194	S128-A131 WeakPolarHBondContact O-CA 3.23Å; S128-A131 PolarHBondContact O-N 2.96Å; H129-A131 PolarHBondContact O-N 2.89Å; A131-I148 HydrophobicContact CB-CB 3.98Å; A131-I148 HydrophobicContact CB-CD1 4.1Å; A131-I148 HydrophobicContact CB-CG1 4.28Å; A131-I148 WeakPolarHBondContact O-CG1 3.35Å; A131-I148 PolarHBondContact O-N 2.7Å; A131-I148 VanDerWaalsContact O-N 3.14Å; A131-P192 HydrophobicContact CB-CB 3.54Å; A131-P192 HydrophobicContact CB-CG 3.67Å; A131-V194 HydrophobicContact CB-CG2 3.61Å
132	T	92.1	Very high	90.9	Very high	13 Å²	13	23.2 Å²	23.2	8%	0.08	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123	166.9	-48.2	0	0	0	0	109.4	I127 S128 H130 F134 Q147	I127-T132 WeakPolarHBondContact CA-O 3.12Å; S128-T132 PolarHBondContact N-O 3.33Å; S128-T132 WeakPolarHBondContact OG-CB 3.44Å; S128-T132 PolarHBondContact OG-N 3.31Å; H130-T132 VanDerWaalsContact C-N 3.31Å; H130-T132 PolarHBondContact O-N 2.91Å; T132-F134 HydrophobicContact CG2-CD1 4.27Å; T132-F134 HydrophobicContact CG2-CD2 4.03Å; T132-F134 HydrophobicContact CG2-CE1 3.73Å; T132-F134 HydrophobicContact CG2-CE2 3.48Å; T132-F134 VanDerWaalsContact CG2-CE2 3.48Å; T132-F134 HydrophobicContact CG2-CG 4.41Å; T132-F134 HydrophobicContact CG2-CZ 3.32Å; T132-Q147 PolarHBondContact OG1-OE1 2.78Å
133	V	93.3	Very high	91.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	112.8	175.2	-178.5	0	0	0	0	108.7	L125 I127 H145 F146 L221 I223 I257 L262	L125-V133 HydrophobicContact CD1-CG1 3.61Å; L125-V133 HydrophobicContact CD2-CG1 3.86Å; L125-V133 HydrophobicContact CG-CG1 3.71Å; I127-V133 HydrophobicContact CD1-CG2 4.19Å; I127-V133 HydrophobicContact CG1-CG2 4.12Å; I127-V133 HydrophobicContact CG2-CG2 4.35Å; V133-H145 CarbonylContact O-C 3.49Å; V133-H145 VanDerWaalsContact O-CA 3.25Å; V133-H145 WeakPolarHBondContact O-CA 3.46Å; V133-F146 HydrophobicContact CB-CB 4.36Å; V133-F146 PolarHBondContact N-O 3.07Å; V133-F146 PolarHBondContact O-N 3.35Å; V133-L221 HydrophobicContact CG1-CD1 4.19Å; V133-I223 HydrophobicContact CG2-CD1 4.28Å; V133-I257 HydrophobicContact CG2-CD1 3.68Å; V133-L262 HydrophobicContact CG1-CD2 3.86Å
134	F	93.5	Very high	91.1	Very high	17 Å²	17	23.5 Å²	23.5	8%	0.075	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.8	175.8	-59.3	-87.3	0	0	0	110	H102 F107 L125 F126 T132 Y136 L142 H145	H102-F134 AromaticContact CE1-CD1 3.75Å; H102-F134 AromaticContact CE1-CE1 3.32Å; H102-F134 WeakPolarHBondContact CE1-CE1 3.05Å; H102-F134 AromaticContact CE1-CZ 3.57Å; H102-F134 AromaticContact ND1-CE1 3.9Å; H102-F134 AromaticContact ND1-CZ 3.74Å; H102-F134 AromaticContact NE2-CE1 3.99Å; F107-F134 AromaticContact CE1-CD2 3.84Å; F107-F134 HydrophobicContact CE1-CD2 3.84Å; F107-F134 HydrophobicContact CE1-CE2 4.01Å; F107-F134 HydrophobicContact CZ-CD2 4.16Å; F107-F134 AromaticContact CZ-CE2 3.99Å; F107-F134 HydrophobicContact CZ-CE2 3.99Å; L125-F134 WeakPolarHBondContact CA-O 3.37Å; F126-F134 PolarHBondContact N-O 2.64Å; F126-F134 PolarHBondContact O-N 3.4Å; T132-F134 HydrophobicContact CG2-CD1 4.27Å; T132-F134 HydrophobicContact CG2-CD2 4.03Å; T132-F134 HydrophobicContact CG2-CE1 3.73Å; T132-F134 HydrophobicContact CG2-CE2 3.48Å; T132-F134 VanDerWaalsContact CG2-CE2 3.48Å; T132-F134 HydrophobicContact CG2-CG 4.41Å; T132-F134 HydrophobicContact CG2-CZ 3.32Å; F134-Y136 HydrophobicContact CB-CD2 4.16Å; F134-Y136 HydrophobicContact CB-CE2 3.46Å; F134-Y136 VanDerWaalsContact CB-CE2 3.46Å; F134-Y136 HydrophobicContact CG-CE2 4.29Å; F134-L142 HydrophobicContact CB-CD1 4.2Å; F134-L142 HydrophobicContact CD1-CD1 3.94Å; F134-H145 HydrophobicContact CD1-CB 3.82Å; F134-H145 HydrophobicContact CE1-CB 4.12Å
135	T	92.3	Very high	91.1	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.2	173.5	65	0	0	0	0	109.5	V124 L125 L143 S144 L262	V124-T135 WeakPolarHBondContact O-CA 3.46Å; L125-T135 HydrophobicContact CD1-CG2 4.03Å; L125-T135 HydrophobicContact CG-CG2 4.33Å; T135-L143 WeakPolarHBondContact O-CB 3.37Å; T135-L143 PolarHBondContact O-N 3.14Å; T135-S144 PolarHBondContact N-O 3.12Å; T135-S144 PolarHBondContact O-N 3.09Å; T135-S144 WeakPolarHBondContact OG1-CA 3.49Å; T135-S144 WeakPolarHBondContact OG1-CB 3.42Å; T135-S144 PolarHBondContact OG1-N 3.24Å; T135-S144 PolarHBondContact OG1-O 3.16Å; T135-S144 VanDerWaalsContact OG1-O 3.14Å; T135-S144 PolarHBondContact OG1-OG 3.09Å; T135-L262 HydrophobicContact CG2-CB 4.46Å; T135-L262 HydrophobicContact CG2-CD2 4.15Å
136	Y	92.8	Very high	90.9	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	149.3	178.5	-68.1	-84.9	0	0	0	110.7	L76 W98 V100 H102 S123 V124 F126 F134 G140 N141 L142	L76-Y136 HydrophobicContact CD1-CE2 3.84Å; W98-Y136 HydrophobicContact CH2-CD1 4.49Å; W98-Y136 HydrophobicContact CH2-CD2 4.3Å; W98-Y136 HydrophobicContact CH2-CG 4.06Å; W98-Y136 HydrophobicContact CZ2-CG 4.48Å; V100-Y136 HydrophobicContact CG1-CE1 4.22Å; V100-Y136 HydrophobicContact CG2-CE1 4.31Å; H102-Y136 PolarHBondContact CE1-OH 3.16Å; H102-Y136 AromaticContact NE2-CZ 3.94Å; H102-Y136 PolarHBondContact NE2-OH 3.32Å; S123-Y136 WeakPolarHBondContact CA-O 3.47Å; S123-Y136 WeakPolarHBondContact CB-O 3.34Å; V124-Y136 PolarHBondContact N-O 3.05Å; V124-Y136 PolarHBondContact O-N 2.91Å; F126-Y136 HydrophobicContact CD2-CD2 4.04Å; F126-Y136 HydrophobicContact CD2-CE2 4.41Å; F134-Y136 HydrophobicContact CB-CD2 4.16Å; F134-Y136 HydrophobicContact CB-CE2 3.46Å; F134-Y136 VanDerWaalsContact CB-CE2 3.46Å; F134-Y136 HydrophobicContact CG-CE2 4.29Å; Y136-G140 WeakPolarHBondContact CD1-O 3.42Å; Y136-N141 WeakPolarHBondContact CA-O 3.22Å; Y136-L142 HydrophobicContact CD1-CB 4.27Å; Y136-L142 HydrophobicContact CD1-CD1 4.34Å; Y136-L142 HydrophobicContact CE1-CB 3.81Å; Y136-L142 HydrophobicContact CE1-CD1 3.8Å; Y136-L142 HydrophobicContact CE1-CG 4.42Å; Y136-L142 HydrophobicContact CE2-CD1 4.2Å
137	D	90.5	Very high	90.7	Very high	28 Å²	28	34.9 Å²	34.9	15%	0.15	17%	0.17	C	C	.	.			trans	-75.3	174.2	159.1	67.7	13.1	0	0	0	110.6	L139 G140 N141 L143	D137-L139 PolarHBondContact O-N 2.84Å; D137-L139 WeakPolarHBondContact OD1-CA 3.47Å; D137-L139 WeakPolarHBondContact OD1-CB 3.33Å; D137-L139 PolarHBondContact OD1-N 2.98Å; D137-L139 VanDerWaalsContact OD1-N 3.07Å; D137-G140 PolarHBondContact O-N 2.81Å; D137-G140 VanDerWaalsContact O-N 3.16Å; D137-G140 PolarHBondContact OD1-N 3.41Å; D137-N141 PolarHBondContact N-O 2.99Å; D137-N141 VanDerWaalsContact N-O 3.09Å; D137-N141 PolarHBondContact OD1-N 3.38Å; D137-N141 PolarHBondContact OD1-ND2 3.01Å; D137-N141 WeakPolarHBondContact OD2-CB 3.41Å; D137-N141 PolarHBondContact OD2-ND2 3.24Å; D137-L143 HydrophobicContact CB-CD1 4.01Å; D137-L143 HydrophobicContact CB-CD2 4.1Å; D137-L143 HydrophobicContact CB-CG 4.1Å
138	Y	88.4	Confident	90.7	Very high	89 Å²	89	34.7 Å²	34.7	35%	0.349	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.5	179.5	68.9	-81.8	0	0	0	113.1	D60 Y68 W98 G140	D60-Y138 HydrophobicContact CB-CD1 4.31Å; D60-Y138 HydrophobicContact CB-CD2 3.24Å; D60-Y138 HydrophobicContact CB-CE2 3.67Å; D60-Y138 HydrophobicContact CB-CG 3.61Å; Y68-Y138 WeakPolarHBondContact OH-CA 3.02Å; Y68-Y138 PolarHBondContact OH-O 2.86Å; W98-Y138 PolarHBondContact NE1-O 3.41Å; W98-Y138 VanDerWaalsContact NE1-O 3.08Å; Y138-G140 VanDerWaalsContact C-N 3.35Å
139	L	90.2	Very high	90.4	Very high	27 Å²	27	36 Å²	36	14%	0.141	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.3	179.8	-60.2	-178.2	0	0	0	113.9	Y95 E96 N97 D137	Y95-L139 HydrophobicContact CE1-CD2 4.18Å; Y95-L139 WeakPolarHBondContact OH-CD2 3.49Å; E96-L139 HydrophobicContact CG-CD2 4.15Å; E96-L139 WeakPolarHBondContact OE1-CD2 3.04Å; E96-L139 WeakPolarHBondContact OE2-CB 3.37Å; E96-L139 WeakPolarHBondContact OE2-CD1 3.45Å; E96-L139 VanDerWaalsContact OE2-CD2 3.22Å; E96-L139 WeakPolarHBondContact OE2-CD2 3.41Å; E96-L139 WeakPolarHBondContact OE2-CG 3.45Å; N97-L139 WeakPolarHBondContact CB-O 3.35Å; N97-L139 PolarHBondContact N-O 3.32Å; D137-L139 PolarHBondContact O-N 2.84Å; D137-L139 WeakPolarHBondContact OD1-CA 3.47Å; D137-L139 WeakPolarHBondContact OD1-CB 3.33Å; D137-L139 PolarHBondContact OD1-N 2.98Å; D137-L139 VanDerWaalsContact OD1-N 3.07Å
140	G	90.9	Very high	90.5	Very high	5 Å²	5	35.6 Å²	35.6	5%	0.052	18%	0.176	C	C	.	.			trans	85.7	13.2	-178.5	0	0	0	0	0	114	W98 Y136 D137 Y138	W98-G140 VanDerWaalsContact CE2-CA 3.43Å; Y136-G140 WeakPolarHBondContact CD1-O 3.42Å; D137-G140 PolarHBondContact O-N 2.81Å; D137-G140 VanDerWaalsContact O-N 3.16Å; D137-G140 PolarHBondContact OD1-N 3.41Å; Y138-G140 VanDerWaalsContact C-N 3.35Å
141	N	92	Very high	90.4	Very high	68 Å²	68	32.7 Å²	32.7	36%	0.364	16%	0.163	S	C	.	.			trans	-72.6	132.3	167	-56.1	-70	0	0	0	109.6	N97 Y136 D137 L143	N97-N141 PolarHBondContact ND2-OD1 3.4Å; Y136-N141 WeakPolarHBondContact CA-O 3.22Å; D137-N141 PolarHBondContact N-O 2.99Å; D137-N141 VanDerWaalsContact N-O 3.09Å; D137-N141 PolarHBondContact OD1-N 3.38Å; D137-N141 PolarHBondContact OD1-ND2 3.01Å; D137-N141 WeakPolarHBondContact OD2-CB 3.41Å; D137-N141 PolarHBondContact OD2-ND2 3.24Å; N141-L143 PolarHBondContact O-N 2.97Å; N141-L143 VanDerWaalsContact O-N 3.16Å
142	L	91.8	Very high	90	Very high	80 Å²	80	33.6 Å²	33.6	42%	0.419	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	109.7	172.9	-177.7	66.9	0	0	0	109.5	F134 Y136 S144 H145	F134-L142 HydrophobicContact CB-CD1 4.2Å; F134-L142 HydrophobicContact CD1-CD1 3.94Å; Y136-L142 HydrophobicContact CD1-CB 4.27Å; Y136-L142 HydrophobicContact CD1-CD1 4.34Å; Y136-L142 HydrophobicContact CE1-CB 3.81Å; Y136-L142 HydrophobicContact CE1-CD1 3.8Å; Y136-L142 HydrophobicContact CE1-CG 4.42Å; Y136-L142 HydrophobicContact CE2-CD1 4.2Å; L142-S144 VanDerWaalsContact CD1-O 3.23Å; L142-S144 WeakPolarHBondContact CD1-O 3.43Å; L142-H145 HydrophobicContact CD1-CB 4.46Å; L142-H145 HydrophobicContact CD2-CB 4.5Å
143	L	89	Confident	89.5	Confident	50 Å²	50	33 Å²	33	26%	0.262	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-42.1	176.8	-62.7	178.1	0	0	0	111.5	S123 T135 D137 N141 Y264	S123-L143 WeakPolarHBondContact OG-CD1 3.41Å; T135-L143 WeakPolarHBondContact O-CB 3.37Å; T135-L143 PolarHBondContact O-N 3.14Å; D137-L143 HydrophobicContact CB-CD1 4.01Å; D137-L143 HydrophobicContact CB-CD2 4.1Å; D137-L143 HydrophobicContact CB-CG 4.1Å; N141-L143 PolarHBondContact O-N 2.97Å; N141-L143 VanDerWaalsContact O-N 3.16Å; L143-Y264 WeakPolarHBondContact O-CD2 3.38Å
144	S	88.7	Confident	88.7	Confident	15 Å²	15	35.4 Å²	35.4	11%	0.105	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	155.6	179.1	84.4	0	0	0	0	109.5	T135 L142 L262	T135-S144 PolarHBondContact N-O 3.12Å; T135-S144 PolarHBondContact O-N 3.09Å; T135-S144 WeakPolarHBondContact OG1-CA 3.49Å; T135-S144 WeakPolarHBondContact OG1-CB 3.42Å; T135-S144 PolarHBondContact OG1-N 3.24Å; T135-S144 PolarHBondContact OG1-O 3.16Å; T135-S144 VanDerWaalsContact OG1-O 3.14Å; T135-S144 PolarHBondContact OG1-OG 3.09Å; L142-S144 VanDerWaalsContact CD1-O 3.23Å; L142-S144 WeakPolarHBondContact CD1-O 3.43Å; S144-L262 PolarHBondContact OG-O 3.4Å
145	H	89.6	Confident	87.7	Confident	124 Å²	124	40.9 Å²	40.9	57%	0.574	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	140.1	164.6	65.9	-83	0	0	0	108.2	V133 F134 L142	V133-H145 CarbonylContact O-C 3.49Å; V133-H145 VanDerWaalsContact O-CA 3.25Å; V133-H145 WeakPolarHBondContact O-CA 3.46Å; F134-H145 HydrophobicContact CD1-CB 3.82Å; F134-H145 HydrophobicContact CE1-CB 4.12Å; L142-H145 HydrophobicContact CD1-CB 4.46Å; L142-H145 HydrophobicContact CD2-CB 4.5Å
146	F	89.3	Confident	86.6	Confident	31 Å²	31	44.7 Å²	44.7	14%	0.136	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	111.8	179.5	178.6	-93.6	0	0	0	108.9	V133 I148 I257 A261 L262 P275	V133-F146 HydrophobicContact CB-CB 4.36Å; V133-F146 PolarHBondContact N-O 3.07Å; V133-F146 PolarHBondContact O-N 3.35Å; F146-I148 HydrophobicContact CD1-CG1 4.34Å; F146-I148 HydrophobicContact CE1-CG1 4.01Å; F146-I257 HydrophobicContact CD1-CD1 3.83Å; F146-I257 HydrophobicContact CD1-CG2 4.47Å; F146-I257 HydrophobicContact CE1-CD1 4.02Å; F146-I257 HydrophobicContact CE1-CG1 4.35Å; F146-A261 HydrophobicContact CD2-CB 4.03Å; F146-A261 HydrophobicContact CE2-CB 4.06Å; F146-L262 HydrophobicContact CB-CD2 4.08Å; F146-P275 HydrophobicContact CE1-CB 4.34Å; F146-P275 HydrophobicContact CE1-CG 4.24Å; F146-P275 HydrophobicContact CZ-CB 4.15Å; F146-P275 HydrophobicContact CZ-CG 3.71Å
147	Q	90.4	Very high	85.3	Confident	86 Å²	86	45.9 Å²	45.9	40%	0.402	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	120.2	172	177.5	63.2	61.5	0	0	108.6	H130 T132 P149	H130-Q147 PolarHBondContact O-NE2 2.7Å; T132-Q147 PolarHBondContact OG1-OE1 2.78Å; Q147-P149 WeakPolarHBondContact O-CD 3.12Å
148	I	90.1	Very high	84.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-60.9	123.3	167.2	-63.7	-176.7	0	0	0	107.2	A131 F146 W173 P192 I223 L225 F227 V255 I257	A131-I148 HydrophobicContact CB-CB 3.98Å; A131-I148 HydrophobicContact CB-CD1 4.1Å; A131-I148 HydrophobicContact CB-CG1 4.28Å; A131-I148 WeakPolarHBondContact O-CG1 3.35Å; A131-I148 PolarHBondContact O-N 2.7Å; A131-I148 VanDerWaalsContact O-N 3.14Å; F146-I148 HydrophobicContact CD1-CG1 4.34Å; F146-I148 HydrophobicContact CE1-CG1 4.01Å; I148-W173 HydrophobicContact CG2-CH2 4.21Å; I148-W173 HydrophobicContact CG2-CZ3 4.18Å; I148-P192 HydrophobicContact CB-CB 4.5Å; I148-P192 HydrophobicContact CB-CG 4.27Å; I148-P192 HydrophobicContact CG2-CB 4.18Å; I148-P192 HydrophobicContact CG2-CG 4.24Å; I148-P192 WeakPolarHBondContact O-CG 3.29Å; I148-I223 HydrophobicContact CD1-CD1 3.97Å; I148-L225 HydrophobicContact CD1-CD2 3.49Å; I148-L225 VanDerWaalsContact CD1-CD2 3.49Å; I148-L225 HydrophobicContact CG2-CD2 4.34Å; I148-F227 HydrophobicContact CG2-CZ 4.43Å; I148-V255 HydrophobicContact CD1-CB 4.36Å; I148-V255 HydrophobicContact CD1-CG1 4.16Å; I148-V255 HydrophobicContact CG2-CG1 4.44Å; I148-V255 HydrophobicContact CG2-CG2 4.37Å; I148-I257 HydrophobicContact CD1-CD1 4.21Å; I148-I257 HydrophobicContact CG1-CD1 4.24Å
149	P	86.8	Confident	82.6	Confident	27 Å²	27	46.3 Å²	46.3	18%	0.175	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-65.9	154.2	-175.4	-19.1	30.7	0	0	0	111.7	Q147 W173 P275	Q147-P149 WeakPolarHBondContact O-CD 3.12Å; P149-W173 HydrophobicContact CB-CD2 4.4Å; P149-W173 HydrophobicContact CB-CE3 3.75Å; P149-W173 HydrophobicContact CB-CZ3 4.24Å; P149-W173 HydrophobicContact CG-CD2 4.47Å; P149-W173 HydrophobicContact CG-CE3 4.11Å; P149-W173 HydrophobicContact CG-CZ3 4.42Å; P149-W173 VanDerWaalsContact O-CZ3 3.23Å; P149-W173 WeakPolarHBondContact O-CZ3 3.41Å; P149-P275 HydrophobicContact CG-CG 4.41Å
150	D	88.6	Confident	80.8	Confident	19 Å²	19	49.8 Å²	49.8	10%	0.102	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-63.9	160.1	167.3	-62.6	-30.7	0	0	0	110.6	A174 R189 L190 H191 P192	D150-A174 HydrophobicContact CB-CB 3.93Å; D150-A174 WeakPolarHBondContact O-CB 3.18Å; D150-A174 PolarHBondContact O-N 2.92Å; D150-R189 HydrophobicContact CB-CG 4.05Å; D150-R189 IonicContact OD2-CZ 2.6Å; D150-R189 IonicContact OD2-NE 3.89Å; D150-R189 PolarHBondContact OD2-NE 3.14Å; D150-R189 IonicContact OD2-NH2 3.83Å; D150-R189 PolarHBondContact OD2-NH2 3.3Å; D150-L190 WeakPolarHBondContact CA-O 3.33Å; D150-L190 WeakPolarHBondContact CB-O 3.5Å; D150-H191 WeakPolarHBondContact OD1-CA 3.43Å; D150-H191 IonicContact OD1-CE1 3.23Å; D150-H191 IonicContact OD1-CG 2.72Å; D150-H191 IonicContact OD1-ND1 3.81Å; D150-H191 PolarHBondContact OD1-ND1 3.23Å; D150-H191 IonicContact OD2-CE1 2.8Å; D150-H191 PolarHBondContact OD2-CE1 3.41Å; D150-H191 IonicContact OD2-ND1 3.62Å; D150-H191 PolarHBondContact OD2-ND1 2.93Å; D150-H191 VanDerWaalsContact OD2-ND1 3.07Å; D150-P192 WeakPolarHBondContact OD1-CD 3.47Å
151	I	86.1	Confident	78.9	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.4	170.7	62.8	177.9	0	0	0	110	I171 R172 W173 L190 F227 I251 L277	I151-I171 HydrophobicContact CB-CG2 4.08Å; I151-I171 HydrophobicContact CD1-CG2 4.09Å; I151-I171 HydrophobicContact CG2-CG2 4.34Å; I151-R172 CarbonylContact C-O 3.59Å; I151-R172 WeakPolarHBondContact CA-O 3.29Å; I151-W173 HydrophobicContact CG2-CE3 3.67Å; I151-W173 HydrophobicContact CG2-CZ3 3.78Å; I151-L190 HydrophobicContact CD1-CB 4.25Å; I151-L190 HydrophobicContact CD1-CD1 3.86Å; I151-L190 HydrophobicContact CG1-CB 3.71Å; I151-L190 HydrophobicContact CG1-CD1 3.96Å; I151-L190 HydrophobicContact CG1-CG 4.33Å; I151-L190 PolarHBondContact N-O 3.43Å; I151-L190 PolarHBondContact O-N 2.9Å; I151-F227 HydrophobicContact CB-CD1 4.39Å; I151-F227 HydrophobicContact CB-CE1 4.36Å; I151-F227 HydrophobicContact CD1-CB 3.67Å; I151-F227 HydrophobicContact CD1-CD1 3.8Å; I151-F227 HydrophobicContact CD1-CD2 3.64Å; I151-F227 HydrophobicContact CD1-CE1 4.29Å; I151-F227 HydrophobicContact CD1-CE2 4.14Å; I151-F227 HydrophobicContact CD1-CG 3.44Å; I151-F227 VanDerWaalsContact CD1-CG 3.44Å; I151-F227 HydrophobicContact CD1-CZ 4.45Å; I151-F227 HydrophobicContact CG1-CB 4.09Å; I151-F227 HydrophobicContact CG1-CD1 3.63Å; I151-F227 HydrophobicContact CG1-CD2 4.39Å; I151-F227 HydrophobicContact CG1-CE1 4.06Å; I151-F227 HydrophobicContact CG1-CG 3.81Å; I151-F227 HydrophobicContact CG2-CD1 4.13Å; I151-F227 HydrophobicContact CG2-CE1 3.64Å; I151-F227 HydrophobicContact CG2-CE2 4.32Å; I151-F227 HydrophobicContact CG2-CZ 3.75Å; I151-I251 HydrophobicContact CD1-CB 4.42Å; I151-I251 HydrophobicContact CD1-CD1 3.77Å; I151-I251 HydrophobicContact CD1-CG2 4.36Å; I151-L277 HydrophobicContact CG2-CD2 3.75Å
152	I	83.8	Confident	76.9	Confident	19 Å²	19	63.9 Å²	63.9	10%	0.097	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.4	176.4	-59.2	177.9	0	0	0	108.1	R172 A174 D187 I188	I152-R172 HydrophobicContact CB-CG 4.03Å; I152-R172 PolarHBondContact N-O 2.74Å; I152-R172 PolarHBondContact O-N 2.81Å; I152-R172 VanDerWaalsContact O-N 3.1Å; I152-A174 HydrophobicContact CD1-CB 3.9Å; I152-A174 HydrophobicContact CG1-CB 3.88Å; I152-D187 HydrophobicContact CG2-CB 3.62Å; I152-D187 VanDerWaalsContact CG2-OD2 3.24Å; I152-D187 WeakPolarHBondContact CG2-OD2 3.47Å; I152-I188 WeakPolarHBondContact CA-O 3.47Å
153	L	81.1	Confident	75.1	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.7	173.9	-178.1	73.3	0	0	0	110.2	R155 L158 L167 S170 I171 I188 L249	L153-R155 PolarHBondContact O-N 2.81Å; L153-L158 HydrophobicContact CD2-CD1 4.24Å; L153-L158 HydrophobicContact CD2-CD2 3.87Å; L153-L158 HydrophobicContact CD2-CG 4.11Å; L153-L167 HydrophobicContact CD1-CD1 3.76Å; L153-L167 HydrophobicContact CD1-CD2 4.21Å; L153-L167 HydrophobicContact CD1-CG 3.68Å; L153-L167 HydrophobicContact CD2-CD1 4.16Å; L153-L167 HydrophobicContact CD2-CD2 4.43Å; L153-L167 HydrophobicContact CG-CD1 4.44Å; L153-S170 WeakPolarHBondContact CD1-OG 3.3Å; L153-I171 HydrophobicContact CD1-CD1 4.5Å; L153-I171 HydrophobicContact CD1-CG1 3.64Å; L153-I188 PolarHBondContact N-O 3.21Å; L153-I188 PolarHBondContact O-N 2.91Å; L153-L249 HydrophobicContact CD2-CD2 3.28Å
154	D	77	Confident	73.5	Confident	51 Å²	51	63.9 Å²	63.9	27%	0.273	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	116.5	171.2	178.9	-3.1	0	0	0	110.4	N156 T157	D154-N156 PolarHBondContact O-N 3.49Å; D154-N156 VanDerWaalsContact O-N 3.15Å; D154-N156 VanDerWaalsContact OD1-CB 3.27Å; D154-N156 WeakPolarHBondContact OD1-CB 3.24Å; D154-N156 PolarHBondContact OD1-N 3.23Å; D154-N156 PolarHBondContact OD1-ND2 3.15Å; D154-T157 HydrophobicContact CB-CG2 4.35Å; D154-T157 WeakPolarHBondContact O-CB 3.49Å; D154-T157 PolarHBondContact O-N 3.35Å; D154-T157 PolarHBondContact O-OG1 3.44Å
155	R	71.7	Confident	71.7	Confident	133 Å²	133	70.5 Å²	70.5	50%	0.502	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-58.2	-26.6	179.2	-178.1	-175.5	-69.8	-116.5	0.3	112.9	L153 T157 L158 M186 I188	L153-R155 PolarHBondContact O-N 2.81Å; R155-T157 PolarHBondContact O-N 2.85Å; R155-T157 VanDerWaalsContact O-N 3.13Å; R155-L158 HydrophobicContact CG-CD1 4.5Å; R155-L158 WeakPolarHBondContact O-CB 3.37Å; R155-L158 PolarHBondContact O-N 2.86Å; R155-M186 WeakPolarHBondContact CA-O 3.36Å; R155-M186 WeakPolarHBondContact CB-O 3.42Å; R155-M186 PolarHBondContact N-O 3.42Å; R155-I188 HydrophobicContact CB-CD1 4.09Å; R155-I188 HydrophobicContact CB-CG1 4.39Å; R155-I188 HydrophobicContact CG-CD1 4.2Å
156	N	69.4	Low	69.9	Low	83 Å²	83	69.2 Å²	69.2	44%	0.444	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-59	-28.3	177	-64.8	-45.6	0	0	0	111.8	D154 L158 S159	D154-N156 PolarHBondContact O-N 3.49Å; D154-N156 VanDerWaalsContact O-N 3.15Å; D154-N156 VanDerWaalsContact OD1-CB 3.27Å; D154-N156 WeakPolarHBondContact OD1-CB 3.24Å; D154-N156 PolarHBondContact OD1-N 3.23Å; D154-N156 PolarHBondContact OD1-ND2 3.15Å; N156-L158 VanDerWaalsContact C-N 3.28Å; N156-L158 PolarHBondContact O-N 3.25Å; N156-S159 PolarHBondContact O-N 2.99Å; N156-S159 PolarHBondContact O-OG 2.9Å
157	T	66.7	Low	68.4	Low	29 Å²	29	68 Å²	68	18%	0.178	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-73	-17.9	177.8	63.8	0	0	0	0	114	D154 R155 L167 S170	D154-T157 HydrophobicContact CB-CG2 4.35Å; D154-T157 WeakPolarHBondContact O-CB 3.49Å; D154-T157 PolarHBondContact O-N 3.35Å; D154-T157 PolarHBondContact O-OG1 3.44Å; R155-T157 PolarHBondContact O-N 2.85Å; R155-T157 VanDerWaalsContact O-N 3.13Å; T157-L167 WeakPolarHBondContact OG1-CD1 3.38Å; T157-S170 PolarHBondContact OG1-OG 3.28Å
158	L	65.2	Low	67.2	Low	23 Å²	23	66.7 Å²	66.7	12%	0.12	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-80.9	-13.1	176.9	-63.8	172	0	0	0	113.6	L153 R155 N156 Q160 L163 L167 I188 L249 W284	L153-L158 HydrophobicContact CD2-CD1 4.24Å; L153-L158 HydrophobicContact CD2-CD2 3.87Å; L153-L158 HydrophobicContact CD2-CG 4.11Å; R155-L158 HydrophobicContact CG-CD1 4.5Å; R155-L158 WeakPolarHBondContact O-CB 3.37Å; R155-L158 PolarHBondContact O-N 2.86Å; N156-L158 VanDerWaalsContact C-N 3.28Å; N156-L158 PolarHBondContact O-N 3.25Å; L158-Q160 PolarHBondContact O-N 3.27Å; L158-L163 HydrophobicContact CD2-CD2 3.8Å; L158-L167 HydrophobicContact CD2-CD1 4.24Å; L158-I188 HydrophobicContact CD1-CD1 3.15Å; L158-L249 HydrophobicContact CD2-CD1 4.27Å; L158-L249 HydrophobicContact CD2-CD2 4.27Å; L158-W284 HydrophobicContact CB-CH2 4.22Å; L158-W284 HydrophobicContact CB-CZ2 4.19Å; L158-W284 HydrophobicContact CD1-CH2 3.79Å; L158-W284 HydrophobicContact CD1-CZ2 4.43Å; L158-W284 HydrophobicContact CD1-CZ3 4.46Å; L158-W284 HydrophobicContact CD2-CH2 4.07Å; L158-W284 HydrophobicContact CD2-CZ2 3.95Å; L158-W284 HydrophobicContact CG-CH2 4.26Å; L158-W284 HydrophobicContact CG-CZ2 4.43Å
159	S	56.2	Low	65.9	Low	102 Å²	102	75.6 Å²	75.6	71%	0.713	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-65.9	-17	176.8	64.7	0	0	0	0	113.2	N156	N156-S159 PolarHBondContact O-N 2.99Å; N156-S159 PolarHBondContact O-OG 2.9Å
160	Q	53.4	Low	65.1	Low	101 Å²	101	75.4 Å²	75.4	47%	0.472	36%	0.364	S	S	.	.	S	Bend	trans	-89.6	111.7	171.6	-65.4	179.4	-8.5	0	0	108.1	L158 D162 N166	L158-Q160 PolarHBondContact O-N 3.27Å; Q160-D162 PolarHBondContact O-N 2.79Å; Q160-D162 VanDerWaalsContact O-N 3.08Å; Q160-N166 PolarHBondContact OE1-ND2 2.82Å
161	R	49.3	Very low	64.5	Low	240 Å²	240	75.6 Å²	75.6	91%	0.906	36%	0.364	S	S	*	.	S	Bend	trans	-56	-23.6	176.7	-85.6	-171.5	-178.6	-174.5	-0.2	113.6	L163	R161-L163 PolarHBondContact O-N 2.76Å
162	D	51.3	Low	64.3	Low	129 Å²	129	81.4 Å²	81.4	69%	0.69	39%	0.386	S	S	*	.			trans	-92.4	97.6	176.6	-64.7	-25.7	0	0	0	110.3	Q160 D164	Q160-D162 PolarHBondContact O-N 2.79Å; Q160-D162 VanDerWaalsContact O-N 3.08Å; D162-D164 PolarHBondContact O-N 2.9Å
163	L	53.4	Low	64.1	Low	23 Å²	23	83.7 Å²	83.7	12%	0.12	39%	0.394	C	S	.	.			trans	-74.6	34.1	-179.1	-74.4	157.2	0	0	0	113.5	L158 R161 L167	L158-L163 HydrophobicContact CD2-CD2 3.8Å; R161-L163 PolarHBondContact O-N 2.76Å; L163-L167 HydrophobicContact CD2-CD1 3.72Å; L163-L167 HydrophobicContact CD2-CD2 3.65Å; L163-L167 HydrophobicContact CD2-CG 4.21Å
164	D	55.2	Low	63.9	Low	107 Å²	107	84.3 Å²	84.3	57%	0.572	40%	0.399	S	S	*	.	S	Bend	trans	-89.7	-38.3	-158.1	-87	-6.2	0	0	0	116.5	D162 F168	D162-D164 PolarHBondContact O-N 2.9Å; D164-F168 VanDerWaalsContact O-CE2 3.23Å; D164-F168 WeakPolarHBondContact O-CE2 3.23Å
165	K	51.1	Low	63.4	Low	154 Å²	154	85.7 Å²	85.7	67%	0.67	41%	0.413	S	S	*	.	S	Bend	trans	-144.5	-34.3	-170.7	-73.3	-176.2	-177	166.4	0	116.6	L167	K165-L167 VanDerWaalsContact C-N 3.3Å
166	N	51.1	Low	62.6	Low	97 Å²	97	85.2 Å²	85.2	52%	0.519	42%	0.424	S	S	.	.	S	Bend	trans	-73.6	-28.8	-179.2	-68.4	-27.9	0	0	0	111.5	Q160 F168 K169	Q160-N166 PolarHBondContact OE1-ND2 2.82Å; N166-F168 PolarHBondContact O-N 2.86Å; N166-K169 PolarHBondContact O-N 2.88Å
167	L	59.2	Low	61.7	Low	5 Å²	5	86.7 Å²	86.7	3%	0.026	43%	0.432	C	S	.	.	H	α-helix	trans	-62.7	-39.1	-179.1	-153.2	86.8	0	0	0	113	L153 T157 L158 L163 K165 K169 S170 I171 V282	L153-L167 HydrophobicContact CD1-CD1 3.76Å; L153-L167 HydrophobicContact CD1-CD2 4.21Å; L153-L167 HydrophobicContact CD1-CG 3.68Å; L153-L167 HydrophobicContact CD2-CD1 4.16Å; L153-L167 HydrophobicContact CD2-CD2 4.43Å; L153-L167 HydrophobicContact CG-CD1 4.44Å; T157-L167 WeakPolarHBondContact OG1-CD1 3.38Å; L158-L167 HydrophobicContact CD2-CD1 4.24Å; L163-L167 HydrophobicContact CD2-CD1 3.72Å; L163-L167 HydrophobicContact CD2-CD2 3.65Å; L163-L167 HydrophobicContact CD2-CG 4.21Å; K165-L167 VanDerWaalsContact C-N 3.3Å; L167-K169 PolarHBondContact O-N 3.04Å; L167-K169 VanDerWaalsContact O-N 3.09Å; L167-S170 PolarHBondContact O-N 3.31Å; L167-S170 PolarHBondContact O-OG 2.9Å; L167-I171 WeakPolarHBondContact O-CG1 3.46Å; L167-I171 PolarHBondContact O-N 3.37Å; L167-V282 HydrophobicContact CD2-CB 3.76Å; L167-V282 HydrophobicContact CD2-CG1 3.38Å; L167-V282 HydrophobicContact CD2-CG2 3.89Å
168	F	64.2	Low	60.5	Low	59 Å²	59	93.2 Å²	93.2	26%	0.259	47%	0.466	S	S	.	.	H	α-helix	trans	-61.1	-24.8	178.9	-62.6	-61	0	0	0	113.4	D164 N166 V279	D164-F168 VanDerWaalsContact O-CE2 3.23Å; D164-F168 WeakPolarHBondContact O-CE2 3.23Å; N166-F168 PolarHBondContact O-N 2.86Å; F168-V279 HydrophobicContact CD1-CB 3.63Å; F168-V279 HydrophobicContact CD1-CG1 3.69Å; F168-V279 HydrophobicContact CD1-CG2 4.41Å; F168-V279 HydrophobicContact CE1-CB 3.73Å; F168-V279 HydrophobicContact CE1-CG1 3.46Å; F168-V279 VanDerWaalsContact CE1-CG1 3.46Å
169	K	63.6	Low	59.4	Low	186 Å²	186	100.4 Å²	100.4	81%	0.809	50%	0.499	S	S	*	.	H	α-helix	trans	-85.4	-20.9	178.6	-66.5	-175.6	178.6	179.3	0	113.2	N166 L167	N166-K169 PolarHBondContact O-N 2.88Å; L167-K169 PolarHBondContact O-N 3.04Å; L167-K169 VanDerWaalsContact O-N 3.09Å
170	S	69.8	Low	58.8	Low	24 Å²	24	101.5 Å²	101.5	17%	0.168	50%	0.496	C	S	.	.	H	α-helix	trans	-88.5	-17.9	178.4	58.4	0	0	0	0	113.2	L153 T157 L167 R172	L153-S170 WeakPolarHBondContact CD1-OG 3.3Å; T157-S170 PolarHBondContact OG1-OG 3.28Å; L167-S170 PolarHBondContact O-N 3.31Å; L167-S170 PolarHBondContact O-OG 2.9Å; S170-R172 PolarHBondContact O-N 2.91Å
171	I	76.8	Confident	58.3	Low	22 Å²	22	100.5 Å²	100.5	11%	0.113	50%	0.499	C	S	.	.			trans	-70.1	123.6	176.5	-63.9	165.6	0	0	0	109.4	I151 L153 L167 I251 L277 V279 V282	I151-I171 HydrophobicContact CB-CG2 4.08Å; I151-I171 HydrophobicContact CD1-CG2 4.09Å; I151-I171 HydrophobicContact CG2-CG2 4.34Å; L153-I171 HydrophobicContact CD1-CD1 4.5Å; L153-I171 HydrophobicContact CD1-CG1 3.64Å; L167-I171 WeakPolarHBondContact O-CG1 3.46Å; L167-I171 PolarHBondContact O-N 3.37Å; I171-I251 HydrophobicContact CD1-CD1 3.8Å; I171-I251 HydrophobicContact CG1-CD1 4.43Å; I171-L277 HydrophobicContact CG2-CD2 3.79Å; I171-V279 HydrophobicContact CD1-CB 4.5Å; I171-V279 HydrophobicContact CD1-CG1 4.05Å; I171-V279 HydrophobicContact CD1-CG2 3.85Å; I171-V279 HydrophobicContact CG2-CG2 4.4Å; I171-V282 HydrophobicContact CD1-CG2 4.48Å
172	R	79.9	Confident	58.1	Low	123 Å²	123	96 Å²	96	46%	0.464	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	153.3	176.1	61.5	-174.3	179.1	130.2	-3.7	110.3	I151 I152 S170 D187	I151-R172 CarbonylContact C-O 3.59Å; I151-R172 WeakPolarHBondContact CA-O 3.29Å; I152-R172 HydrophobicContact CB-CG 4.03Å; I152-R172 PolarHBondContact N-O 2.74Å; I152-R172 PolarHBondContact O-N 2.81Å; I152-R172 VanDerWaalsContact O-N 3.1Å; S170-R172 PolarHBondContact O-N 2.91Å; R172-D187 IonicContact CZ-OD2 3.36Å; R172-D187 IonicContact NH2-OD2 3.33Å; R172-D187 PolarHBondContact NH2-OD2 2.69Å
173	W	80.7	Confident	57.6	Low	67 Å²	67	97.9 Å²	97.9	25%	0.254	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	140.7	167.7	-66.3	122.8	0	0	0	110.1	I148 P149 I151 S175 F227 V255 P275 L277	I148-W173 HydrophobicContact CG2-CH2 4.21Å; I148-W173 HydrophobicContact CG2-CZ3 4.18Å; P149-W173 HydrophobicContact CB-CD2 4.4Å; P149-W173 HydrophobicContact CB-CE3 3.75Å; P149-W173 HydrophobicContact CB-CZ3 4.24Å; P149-W173 HydrophobicContact CG-CD2 4.47Å; P149-W173 HydrophobicContact CG-CE3 4.11Å; P149-W173 HydrophobicContact CG-CZ3 4.42Å; P149-W173 VanDerWaalsContact O-CZ3 3.23Å; P149-W173 WeakPolarHBondContact O-CZ3 3.41Å; I151-W173 HydrophobicContact CG2-CE3 3.67Å; I151-W173 HydrophobicContact CG2-CZ3 3.78Å; W173-S175 PolarHBondContact O-N 2.9Å; W173-F227 HydrophobicContact CH2-CZ 4.4Å; W173-F227 HydrophobicContact CZ3-CE1 4.36Å; W173-F227 AromaticContact CZ3-CZ 3.97Å; W173-F227 HydrophobicContact CZ3-CZ 3.97Å; W173-V255 HydrophobicContact CH2-CG1 4.48Å; W173-V255 HydrophobicContact CH2-CG2 4.11Å; W173-P275 HydrophobicContact CH2-CG 4.08Å; W173-P275 HydrophobicContact CZ2-CB 4.11Å; W173-P275 HydrophobicContact CZ2-CG 3.66Å; W173-P275 PolarHBondContact NE1-O 2.79Å; W173-L277 HydrophobicContact CH2-CB 3.9Å; W173-L277 HydrophobicContact CH2-CD1 4.25Å; W173-L277 HydrophobicContact CH2-CG 4.49Å; W173-L277 HydrophobicContact CZ2-CB 3.52Å
174	A	76.9	Confident	57.5	Low	12 Å²	12	99 Å²	99	10%	0.099	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-62.6	128.9	165.6	0	0	0	0	0	108.7	D150 I152 T176	D150-A174 HydrophobicContact CB-CB 3.93Å; D150-A174 WeakPolarHBondContact O-CB 3.18Å; D150-A174 PolarHBondContact O-N 2.92Å; I152-A174 HydrophobicContact CD1-CB 3.9Å; I152-A174 HydrophobicContact CG1-CB 3.88Å; A174-T176 PolarHBondContact O-N 2.75Å
175	S	66.6	Low	57.5	Low	81 Å²	81	103.2 Å²	103.2	57%	0.566	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-64.1	135.5	175.3	-171.5	0	0	0	0	109.5	W173 D177	W173-S175 PolarHBondContact O-N 2.9Å; S175-D177 PolarHBondContact O-N 2.88Å; S175-D177 PolarHBondContact OG-N 2.77Å
176	T	55.5	Low	58.1	Low	122 Å²	122	100.4 Å²	100.4	75%	0.748	52%	0.519	S	S	*	.	S	Bend	trans	-71.8	-18.6	169.2	50.1	0	0	0	0	112.1	A174 N178	A174-T176 PolarHBondContact O-N 2.75Å; T176-N178 PolarHBondContact O-N 2.85Å; T176-N178 VanDerWaalsContact O-N 3.09Å
177	D	48.6	Very low	59.2	Low	114 Å²	114	97.9 Å²	97.9	61%	0.61	51%	0.505	S	S	*	.	S	Bend	trans	-70.1	109	173.7	-68.6	-26.3	0	0	0	108.2	S175 Q179	S175-D177 PolarHBondContact O-N 2.88Å; S175-D177 PolarHBondContact OG-N 2.77Å; D177-Q179 CarbonylContact O-C 3.42Å; D177-Q179 PolarHBondContact O-N 2.73Å
178	N	42.2	Very low	60.2	Low	167 Å²	167	98.6 Å²	98.6	89%	0.893	51%	0.509	S	S	*	.	S	Bend	trans	-55.4	5.9	177.5	-76.2	-29.2	0	0	0	115.1	T176 L180	T176-N178 PolarHBondContact O-N 2.85Å; T176-N178 VanDerWaalsContact O-N 3.09Å; N178-L180 PolarHBondContact O-N 2.87Å
179	Q	41.7	Very low	61.2	Low	173 Å²	173	102 Å²	102	81%	0.808	52%	0.52	S	S	*	.			trans	-80.4	70.4	164.4	-63.6	-175.1	3.5	0	0	108.8	D177 P181	D177-Q179 CarbonylContact O-C 3.42Å; D177-Q179 PolarHBondContact O-N 2.73Å; Q179-P181 VanDerWaalsContact O-CD 3.24Å; Q179-P181 WeakPolarHBondContact O-CD 3.17Å; Q179-P181 VanDerWaalsContact O-N 3.12Å
180	L	44	Very low	62.4	Low	126 Å²	126	93.1 Å²	93.1	66%	0.66	48%	0.481	S	S	*	.			trans	-54.2	119.5	160.1	-145.5	86.4	0	0	0	105.7	N178 T182	N178-L180 PolarHBondContact O-N 2.87Å; L180-T182 PolarHBondContact O-N 2.87Å
181	P	43.5	Very low	63.3	Low	80 Å²	80	94 Å²	94	52%	0.519	48%	0.483	S	S	.	.			trans	-55.4	124.7	168.6	-18.3	29.8	0	0	0	106	Q179 H183	Q179-P181 VanDerWaalsContact O-CD 3.24Å; Q179-P181 WeakPolarHBondContact O-CD 3.17Å; Q179-P181 VanDerWaalsContact O-N 3.12Å; P181-H183 PolarHBondContact O-N 3.43Å
182	T	45	Very low	64.1	Low	144 Å²	144	93.1 Å²	93.1	88%	0.883	48%	0.478	S	S	*	.	S	Bend	trans	-61.5	9.8	172.8	40.2	0	0	0	0	113.1	L180	L180-T182 PolarHBondContact O-N 2.87Å
183	H	40.9	Very low	64.5	Low	169 Å²	169	87.8 Å²	87.8	78%	0.782	46%	0.459	S	S	*	.			trans	-116.1	87.5	172.7	-69.4	-66	0	0	0	110.2	P181	P181-H183 PolarHBondContact O-N 3.43Å
184	S	50.8	Low	64.8	Low	46 Å²	46	84.6 Å²	84.6	32%	0.322	45%	0.447	S	S	.	.			trans	175.6	82.6	141.7	55.5	0	0	0	0	110.9	M186 D187	S184-M186 PolarHBondContact O-N 3.49Å; S184-D187 PolarHBondContact O-N 3.16Å; S184-D187 WeakPolarHBondContact OG-CB 3.45Å; S184-D187 VanDerWaalsContact OG-CG 3.3Å; S184-D187 PolarHBondContact OG-OD2 2.74Å
185	E	54.7	Low	64.9	Low	197 Å²	197	87.7 Å²	87.7	92%	0.921	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-10.1	153.6	-77.1	178.3	149.1	0	0	112.2
186	M	64	Low	65.4	Low	95 Å²	95	84 Å²	84	47%	0.468	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-7.8	178.3	-65.2	-76.6	-155.4	0	0	114.8	R155 S184	R155-M186 WeakPolarHBondContact CA-O 3.36Å; R155-M186 WeakPolarHBondContact CB-O 3.42Å; R155-M186 PolarHBondContact N-O 3.42Å; S184-M186 PolarHBondContact O-N 3.49Å
187	D	74.9	Confident	66.6	Low	43 Å²	43	80.7 Å²	80.7	23%	0.23	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.8	-175.6	-82.4	11.2	0	0	0	111.3	I152 R172 S184	I152-D187 HydrophobicContact CG2-CB 3.62Å; I152-D187 VanDerWaalsContact CG2-OD2 3.24Å; I152-D187 WeakPolarHBondContact CG2-OD2 3.47Å; R172-D187 IonicContact CZ-OD2 3.36Å; R172-D187 IonicContact NH2-OD2 3.33Å; R172-D187 PolarHBondContact NH2-OD2 2.69Å; S184-D187 PolarHBondContact O-N 3.16Å; S184-D187 WeakPolarHBondContact OG-CB 3.45Å; S184-D187 VanDerWaalsContact OG-CG 3.3Å; S184-D187 PolarHBondContact OG-OD2 2.74Å
188	I	79.7	Confident	68.4	Low	21 Å²	21	75.6 Å²	75.6	11%	0.108	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.3	174.3	-65.4	161.4	0	0	0	108.4	I152 L153 R155 L158 L190	I152-I188 WeakPolarHBondContact CA-O 3.47Å; L153-I188 PolarHBondContact N-O 3.21Å; L153-I188 PolarHBondContact O-N 2.91Å; R155-I188 HydrophobicContact CB-CD1 4.09Å; R155-I188 HydrophobicContact CB-CG1 4.39Å; R155-I188 HydrophobicContact CG-CD1 4.2Å; L158-I188 HydrophobicContact CD1-CD1 3.15Å; I188-L190 HydrophobicContact CG2-CD2 3.84Å; I188-L190 HydrophobicContact CG2-CG 4.23Å
189	R	84.8	Confident	70.1	Confident	130 Å²	130	69.4 Å²	69.4	49%	0.491	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	128.7	175.1	-170.9	172.8	-177.9	164.9	-0.8	109.6	D150	D150-R189 HydrophobicContact CB-CG 4.05Å; D150-R189 IonicContact OD2-CZ 2.6Å; D150-R189 IonicContact OD2-NE 3.89Å; D150-R189 PolarHBondContact OD2-NE 3.14Å; D150-R189 IonicContact OD2-NH2 3.83Å; D150-R189 PolarHBondContact OD2-NH2 3.3Å
190	L	88.5	Confident	71.9	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.4	178.2	-50.3	162.5	0	0	0	109.3	D150 I151 I188 F227 V228 L249 I251	D150-L190 WeakPolarHBondContact CA-O 3.33Å; D150-L190 WeakPolarHBondContact CB-O 3.5Å; I151-L190 HydrophobicContact CD1-CB 4.25Å; I151-L190 HydrophobicContact CD1-CD1 3.86Å; I151-L190 HydrophobicContact CG1-CB 3.71Å; I151-L190 HydrophobicContact CG1-CD1 3.96Å; I151-L190 HydrophobicContact CG1-CG 4.33Å; I151-L190 PolarHBondContact N-O 3.43Å; I151-L190 PolarHBondContact O-N 2.9Å; I188-L190 HydrophobicContact CG2-CD2 3.84Å; I188-L190 HydrophobicContact CG2-CG 4.23Å; L190-F227 HydrophobicContact CB-CB 3.78Å; L190-V228 CarbonylContact C-O 3.58Å; L190-V228 WeakPolarHBondContact CA-O 3.24Å; L190-L249 HydrophobicContact CD1-CD2 4.04Å; L190-L249 HydrophobicContact CD2-CB 4.08Å; L190-L249 HydrophobicContact CD2-CD2 4.37Å; L190-I251 HydrophobicContact CD1-CD1 3.35Å; L190-I251 HydrophobicContact CD1-CG1 3.81Å
191	H	90.5	Very high	73.2	Confident	43 Å²	43	57.4 Å²	57.4	20%	0.199	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.5	-172.7	-62.4	-79.9	0	0	0	111	D150 F227 V228 Y230	D150-H191 WeakPolarHBondContact OD1-CA 3.43Å; D150-H191 IonicContact OD1-CE1 3.23Å; D150-H191 IonicContact OD1-CG 2.72Å; D150-H191 IonicContact OD1-ND1 3.81Å; D150-H191 PolarHBondContact OD1-ND1 3.23Å; D150-H191 IonicContact OD2-CE1 2.8Å; D150-H191 PolarHBondContact OD2-CE1 3.41Å; D150-H191 IonicContact OD2-ND1 3.62Å; D150-H191 PolarHBondContact OD2-ND1 2.93Å; D150-H191 VanDerWaalsContact OD2-ND1 3.07Å; H191-F227 CarbonylContact O-C 3.41Å; H191-F227 VanDerWaalsContact O-CA 3.23Å; H191-F227 WeakPolarHBondContact O-CA 3.46Å; H191-V228 PolarHBondContact N-O 3.22Å; H191-V228 PolarHBondContact O-N 2.74Å; H191-Y230 HydrophobicContact CB-CD2 3.8Å; H191-Y230 HydrophobicContact CB-CE2 3.34Å; H191-Y230 AromaticContact CD2-CD2 3.1Å; H191-Y230 WeakPolarHBondContact CD2-CD2 3.35Å; H191-Y230 AromaticContact CD2-CE2 3.65Å; H191-Y230 AromaticContact CG-CD2 3.44Å; H191-Y230 VanDerWaalsContact CG-CD2 3.44Å; H191-Y230 AromaticContact CG-CE2 3.45Å; H191-Y230 VanDerWaalsContact CG-CE2 3.45Å; H191-Y230 AromaticContact NE2-CD2 3.76Å
192	P	93.2	Very high	74.1	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.019	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	141.9	-178.4	30.6	-34.5	0	0	0	111.8	H130 A131 I148 D150 L225 N226 F227	H130-P192 CarbonylContact C-O 3.57Å; A131-P192 HydrophobicContact CB-CB 3.54Å; A131-P192 HydrophobicContact CB-CG 3.67Å; I148-P192 HydrophobicContact CB-CB 4.5Å; I148-P192 HydrophobicContact CB-CG 4.27Å; I148-P192 HydrophobicContact CG2-CB 4.18Å; I148-P192 HydrophobicContact CG2-CG 4.24Å; I148-P192 WeakPolarHBondContact O-CG 3.29Å; D150-P192 WeakPolarHBondContact OD1-CD 3.47Å; P192-L225 HydrophobicContact CB-CD1 4.09Å; P192-N226 CarbonylContact C-O 3.58Å; P192-N226 VanDerWaalsContact CA-O 3.32Å; P192-N226 WeakPolarHBondContact CA-O 3.43Å; P192-F227 HydrophobicContact CB-CD1 3.82Å; P192-F227 HydrophobicContact CB-CE1 3.57Å; P192-F227 HydrophobicContact CB-CZ 4.18Å; P192-F227 HydrophobicContact CG-CD1 4.45Å; P192-F227 HydrophobicContact CG-CE1 4.12Å
193	I	88.6	Confident	74.3	Confident	11 Å²	11	51.9 Å²	51.9	6%	0.056	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.7	177.3	-67.2	-173.4	0	0	0	109.9	H129 Y195 L225 N226 V228	H129-I193 WeakPolarHBondContact NE2-CG2 3.14Å; H129-I193 CarbonylContact O-C 3.4Å; H129-I193 VanDerWaalsContact O-CA 3.23Å; H129-I193 WeakPolarHBondContact O-CA 3.44Å; I193-Y195 HydrophobicContact CG2-CD2 3.96Å; I193-Y195 HydrophobicContact CG2-CE1 4.21Å; I193-Y195 HydrophobicContact CG2-CE2 3.35Å; I193-Y195 VanDerWaalsContact CG2-CZ 3.49Å; I193-L225 WeakPolarHBondContact O-CB 3.27Å; I193-N226 PolarHBondContact N-O 3.44Å; I193-N226 PolarHBondContact O-N 3.07Å; I193-V228 HydrophobicContact CD1-CB 4.47Å; I193-V228 HydrophobicContact CD1-CG1 4.41Å; I193-V228 HydrophobicContact CD1-CG2 3.27Å; I193-V228 HydrophobicContact CG1-CG2 3.92Å
194	V	86.3	Confident	74.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.			trans	-113.7	127.3	-179.6	-171.9	0	0	0	0	110.8	I127 H129 A131 I223 L225	I127-V194 HydrophobicContact CG2-CB 4.2Å; I127-V194 HydrophobicContact CG2-CG1 4.15Å; I127-V194 HydrophobicContact CG2-CG2 3.99Å; H129-V194 PolarHBondContact O-N 3.14Å; A131-V194 HydrophobicContact CB-CG2 3.61Å; V194-I223 HydrophobicContact CG1-CG2 4.16Å; V194-I223 HydrophobicContact CG2-CG2 4.27Å; V194-L225 HydrophobicContact CG2-CB 3.9Å; V194-L225 HydrophobicContact CG2-CD2 4.32Å
195	Y	78.3	Confident	73.9	Confident	77 Å²	77	47.6 Å²	47.6	30%	0.302	25%	0.248	S	C	.	.			trans	-119.7	-11.9	172.1	-65.4	-64.6	0	0	0	113.3	F108 H129 I193 F294	F108-Y195 AromaticContact CD2-CD1 3.92Å; F108-Y195 HydrophobicContact CD2-CD1 3.92Å; F108-Y195 HydrophobicContact CD2-CE1 4.19Å; F108-Y195 HydrophobicContact CE2-CD1 4.22Å; F108-Y195 HydrophobicContact CE2-CE1 4.04Å; F108-Y195 HydrophobicContact CG-CD1 4.38Å; H129-Y195 AromaticContact CD2-CE1 3.52Å; H129-Y195 AromaticContact CD2-CZ 3.94Å; H129-Y195 AromaticContact NE2-CE1 3.48Å; H129-Y195 WeakPolarHBondContact NE2-CE1 3.37Å; H129-Y195 AromaticContact NE2-CZ 3.46Å; H129-Y195 PolarHBondContact NE2-OH 3.36Å; H129-Y195 VanDerWaalsContact NE2-OH 3.14Å; I193-Y195 HydrophobicContact CG2-CD2 3.96Å; I193-Y195 HydrophobicContact CG2-CE1 4.21Å; I193-Y195 HydrophobicContact CG2-CE2 3.35Å; I193-Y195 VanDerWaalsContact CG2-CZ 3.49Å; Y195-F294 HydrophobicContact CD2-CD1 4.13Å; Y195-F294 HydrophobicContact CD2-CE1 4.02Å; Y195-F294 HydrophobicContact CE2-CE1 4.24Å; Y195-F294 HydrophobicContact CG-CD1 4.33Å
196	T	78.6	Confident	73.3	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.018	23%	0.226	C	C	.	.	S	Bend	trans	-104.6	161.9	-169	62.8	0	0	0	0	112.1	S109 A224 I293 S295	S109-T196 PolarHBondContact OG-O 3.2Å; T196-A224 PolarHBondContact OG1-O 2.94Å; T196-I293 HydrophobicContact CG2-CG2 3.76Å; T196-S295 VanDerWaalsContact CG2-C 3.42Å; T196-S295 VanDerWaalsContact CG2-O 3.25Å; T196-S295 WeakPolarHBondContact CG2-O 3.43Å
197	D	80.9	Confident	72.4	Confident	52 Å²	52	42 Å²	42	28%	0.278	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-74.8	129.4	170	-60.2	-46.3	0	0	0	110.9	T110 S296	T110-D197 WeakPolarHBondContact CB-OD1 3.4Å; T110-D197 VanDerWaalsContact CG2-OD1 3.32Å; T110-D197 WeakPolarHBondContact CG2-OD1 3.43Å; T110-D197 PolarHBondContact N-OD1 3Å; T110-D197 PolarHBondContact OG1-OD1 2.83Å; D197-S296 WeakPolarHBondContact CB-OG 3.32Å; D197-S296 PolarHBondContact N-OG 2.76Å
198	P	84.5	Confident	71	Confident	7 Å²	7	44.3 Å²	44.3	5%	0.045	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-64.6	148.7	169.2	27.4	-36.5	0	0	0	111.9	L112 I127 I223	L112-P198 HydrophobicContact CD1-CB 3.82Å; L112-P198 HydrophobicContact CD1-CG 3.33Å; L112-P198 HydrophobicContact CG-CG 3.89Å; I127-P198 HydrophobicContact CD1-CB 3.66Å; I127-P198 HydrophobicContact CD1-CG 3.53Å; I127-P198 HydrophobicContact CG1-CG 4.28Å; P198-I223 HydrophobicContact CB-CG1 4.08Å
199	I	78.9	Confident	69.4	Low	38 Å²	38	49.8 Å²	49.8	20%	0.195	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.3	171.3	-53.4	174.1	0	0	0	109.5	H222 P297 I299	I199-H222 HydrophobicContact CB-CB 4.31Å; I199-H222 PolarHBondContact N-O 2.78Å; I199-H222 PolarHBondContact O-N 3.32Å; I199-P297 HydrophobicContact CD1-CB 3.85Å; I199-P297 HydrophobicContact CD1-CG 3.66Å; I199-P297 WeakPolarHBondContact CD1-O 3.37Å; I199-P297 HydrophobicContact CG1-CG 4.17Å; I199-I299 HydrophobicContact CB-CD1 4.18Å; I199-I299 HydrophobicContact CD1-CD1 3.86Å; I199-I299 HydrophobicContact CD1-CG1 3.72Å; I199-I299 HydrophobicContact CG2-CD1 3.6Å; I199-I299 HydrophobicContact CG2-CG1 4.41Å
200	I	78.8	Confident	67.8	Low	35 Å²	35	45 Å²	45	18%	0.179	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	123.5	169.4	-51.6	175.6	0	0	0	108.7	L112 A113 V114 T202 L220 L221	L112-I200 HydrophobicContact CB-CD1 4.17Å; L112-I200 HydrophobicContact CD1-CD1 4.14Å; L112-I200 HydrophobicContact CD1-CG1 3.62Å; L112-I200 HydrophobicContact CD2-CD1 4.36Å; L112-I200 HydrophobicContact CD2-CG1 4.4Å; L112-I200 HydrophobicContact CG-CD1 4.49Å; L112-I200 HydrophobicContact CG-CG1 4.43Å; A113-I200 WeakPolarHBondContact O-CD1 3.19Å; V114-I200 HydrophobicContact CB-CD1 4.29Å; V114-I200 HydrophobicContact CG2-CG2 4.34Å; I200-T202 HydrophobicContact CG2-CG2 3.71Å; I200-T202 PolarHBondContact O-N 3.38Å; I200-T202 VanDerWaalsContact O-N 3.17Å; I200-L220 HydrophobicContact CG2-CD1 4.24Å; I200-L221 HydrophobicContact CG1-CD2 4.35Å
201	L	72.2	Confident	66.2	Low	11 Å²	11	51 Å²	51	6%	0.058	29%	0.289	C	S	.	.			trans	-85.3	82	170.7	-56.3	174.5	0	0	0	108.6	S203 D219 L220 H222 I299 Y318 M336	L201-S203 PolarHBondContact O-N 3.17Å; L201-D219 HydrophobicContact CD1-CB 3.73Å; L201-L220 PolarHBondContact N-O 3.43Å; L201-H222 HydrophobicContact CD1-CB 4.09Å; L201-H222 HydrophobicContact CD2-CB 3.99Å; L201-H222 HydrophobicContact CG-CB 4Å; L201-I299 HydrophobicContact CD2-CD1 3.36Å; L201-Y318 HydrophobicContact CD1-CE1 3.87Å; L201-Y318 VanDerWaalsContact CD1-OH 3.3Å; L201-Y318 WeakPolarHBondContact CD1-OH 3.26Å; L201-Y318 HydrophobicContact CD2-CD2 4.45Å; L201-Y318 HydrophobicContact CD2-CE1 4.18Å; L201-Y318 HydrophobicContact CD2-CE2 3.94Å; L201-M336 HydrophobicContact CB-CE 3.76Å; L201-M336 HydrophobicContact CB-SD 3.95Å; L201-M336 HydrophobicContact CD1-CE 4.1Å; L201-M336 HydrophobicContact CD1-SD 3.96Å; L201-M336 HydrophobicContact CG-SD 4.39Å
202	T	61.5	Low	64.8	Low	87 Å²	87	54.5 Å²	54.5	53%	0.534	31%	0.309	S	S	.	.			trans	-79.2	76.8	167.4	51.3	0	0	0	0	108.5	I200 A204	I200-T202 HydrophobicContact CG2-CG2 3.71Å; I200-T202 PolarHBondContact O-N 3.38Å; I200-T202 VanDerWaalsContact O-N 3.17Å; T202-A204 PolarHBondContact O-N 3.28Å
203	S	49.4	Very low	63.3	Low	21 Å²	21	59.4 Å²	59.4	15%	0.147	34%	0.335	C	S	.	.			trans	-58.8	127.2	167.8	64.3	0	0	0	0	107.8	L201 I205	L201-S203 PolarHBondContact O-N 3.17Å; S203-I205 PolarHBondContact O-N 3.48Å; S203-I205 WeakPolarHBondContact OG-CB 3.28Å; S203-I205 VanDerWaalsContact OG-CD1 3.26Å; S203-I205 WeakPolarHBondContact OG-CD1 3.12Å; S203-I205 WeakPolarHBondContact OG-CG1 3.46Å
204	A	40	Very low	62.2	Low	99 Å²	99	61 Å²	61	82%	0.818	34%	0.343	S	S	*	.			trans	-64.8	26.9	166.4	0	0	0	0	0	112.4	T202 S206	T202-A204 PolarHBondContact O-N 3.28Å; A204-S206 PolarHBondContact O-N 3.11Å
205	I	44.6	Very low	61.5	Low	27 Å²	27	61.5 Å²	61.5	14%	0.138	35%	0.345	C	S	.	.			trans	-65.3	90.4	165.1	-61.9	170.9	0	0	0	105.5	S203 R207 V210 T218 D316 M336	S203-I205 PolarHBondContact O-N 3.48Å; S203-I205 WeakPolarHBondContact OG-CB 3.28Å; S203-I205 VanDerWaalsContact OG-CD1 3.26Å; S203-I205 WeakPolarHBondContact OG-CD1 3.12Å; S203-I205 WeakPolarHBondContact OG-CG1 3.46Å; I205-R207 PolarHBondContact O-N 3.09Å; I205-V210 HydrophobicContact CG2-CB 4.17Å; I205-V210 HydrophobicContact CG2-CG2 3.39Å; I205-T218 HydrophobicContact CD1-CG2 4.22Å; I205-D316 WeakPolarHBondContact CG1-OD2 3.31Å; I205-M336 HydrophobicContact CD1-CB 4.5Å
206	S	41.1	Very low	61.3	Low	67 Å²	67	59.2 Å²	59.2	47%	0.469	34%	0.338	S	S	.	.			trans	-50.7	131.1	160.6	-174.2	0	0	0	0	107.5	A204 S208 N209	A204-S206 PolarHBondContact O-N 3.11Å; S206-S208 VanDerWaalsContact CB-OG 3.24Å; S206-S208 WeakPolarHBondContact CB-OG 3.48Å; S206-S208 PolarHBondContact O-N 3.18Å; S206-S208 PolarHBondContact OG-N 2.91Å; S206-S208 PolarHBondContact OG-OG 2.92Å; S206-N209 PolarHBondContact O-N 3.04Å
207	R	45.3	Very low	61.1	Low	108 Å²	108	59.9 Å²	59.9	41%	0.408	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-45.1	-23.4	168.4	-95.5	-172.9	179.7	-175.6	-0.1	111.6	Y117 E119 I205 N209	Y117-R207 PolarHBondContact O-NH2 3.36Å; E119-R207 IonicContact OE1-NH2 2.74Å; E119-R207 PolarHBondContact OE1-NH2 3.36Å; I205-R207 PolarHBondContact O-N 3.09Å; R207-N209 PolarHBondContact O-N 3.28Å
208	S	45.6	Very low	60.9	Low	90 Å²	90	57.4 Å²	57.4	63%	0.629	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-59.9	-25.7	177.3	69.1	0	0	0	0	115.3	S206	S206-S208 VanDerWaalsContact CB-OG 3.24Å; S206-S208 WeakPolarHBondContact CB-OG 3.48Å; S206-S208 PolarHBondContact O-N 3.18Å; S206-S208 PolarHBondContact OG-N 2.91Å; S206-S208 PolarHBondContact OG-OG 2.92Å
209	N	45.8	Very low	60.6	Low	136 Å²	136	57 Å²	57	73%	0.727	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-100.2	-8.4	-172.2	-76.7	-10	0	0	0	114.4	S206 R207	S206-N209 PolarHBondContact O-N 3.04Å; R207-N209 PolarHBondContact O-N 3.28Å
210	V	50.6	Low	60.8	Low	29 Å²	29	55.3 Å²	55.3	18%	0.176	32%	0.316	C	S	.	.	S	Bend	trans	-133.1	128.9	-170.9	-179.1	0	0	0	0	109.3	I205 D212 N214 F215	I205-V210 HydrophobicContact CG2-CB 4.17Å; I205-V210 HydrophobicContact CG2-CG2 3.39Å; V210-D212 PolarHBondContact O-N 3.13Å; V210-N214 HydrophobicContact CG1-CB 3.26Å; V210-F215 HydrophobicContact CG1-CB 4.36Å
211	N	56.5	Low	61.2	Low	126 Å²	126	53.6 Å²	53.6	67%	0.674	31%	0.307	S	S	*	.			trans	-52.7	137.6	171	-68.3	-11.1	0	0	0	109.7	I213 N214 F215	N211-I213 PolarHBondContact O-N 2.88Å; N211-N214 WeakPolarHBondContact O-CB 3.26Å; N211-N214 PolarHBondContact O-N 3.16Å; N211-F215 PolarHBondContact O-N 3.41Å
212	D	59.4	Low	61.8	Low	117 Å²	117	53.1 Å²	53.1	63%	0.626	31%	0.305	S	S	*	.	H	α-helix	trans	-47.9	-35.6	-174.4	-67.3	-37.2	0	0	0	113.9	V210 F215	V210-D212 PolarHBondContact O-N 3.13Å; D212-F215 WeakPolarHBondContact O-CB 3.2Å; D212-F215 PolarHBondContact O-N 2.89Å
213	I	62	Low	63.1	Low	107 Å²	107	49 Å²	49	55%	0.549	28%	0.279	S	S	.	.	H	α-helix	trans	-63.5	-48.6	177.3	-59.8	173.8	0	0	0	111.3	N211 F215 L216 Y217	N211-I213 PolarHBondContact O-N 2.88Å; I213-F215 PolarHBondContact O-N 2.97Å; I213-L216 WeakPolarHBondContact O-CB 3.2Å; I213-L216 PolarHBondContact O-N 3.23Å; I213-Y217 HydrophobicContact CG2-CD2 4.33Å; I213-Y217 HydrophobicContact CG2-CE2 3.89Å; I213-Y217 WeakPolarHBondContact O-CD2 3.44Å
214	N	66.1	Low	64.9	Low	44 Å²	44	48 Å²	48	24%	0.235	27%	0.272	C	S	.	.	H	α-helix	trans	-64.9	-29	-177.9	-79.1	1.4	0	0	0	112.1	V210 N211 L216 Y217 L337 H340	V210-N214 HydrophobicContact CG1-CB 3.26Å; N211-N214 WeakPolarHBondContact O-CB 3.26Å; N211-N214 PolarHBondContact O-N 3.16Å; N214-L216 VanDerWaalsContact C-N 3.32Å; N214-L216 PolarHBondContact O-N 2.88Å; N214-Y217 PolarHBondContact O-N 2.81Å; N214-L337 HydrophobicContact CB-CD1 4.22Å; N214-H340 PolarHBondContact OD1-CD2 2.91Å; N214-H340 PolarHBondContact OD1-NE2 2.81Å
215	F	70.9	Confident	67.3	Low	10 Å²	10	43.3 Å²	43.3	4%	0.044	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-40	176.9	177.2	-100.6	0	0	0	111.7	A118 V210 N211 D212 I213 Y217 T218 R259	A118-F215 HydrophobicContact CB-CE1 3.88Å; A118-F215 HydrophobicContact CB-CE2 4.31Å; A118-F215 HydrophobicContact CB-CZ 3.38Å; V210-F215 HydrophobicContact CG1-CB 4.36Å; N211-F215 PolarHBondContact O-N 3.41Å; D212-F215 WeakPolarHBondContact O-CB 3.2Å; D212-F215 PolarHBondContact O-N 2.89Å; I213-F215 PolarHBondContact O-N 2.97Å; F215-Y217 PolarHBondContact O-N 2.68Å; F215-T218 PolarHBondContact O-N 3.31Å; F215-T218 VanDerWaalsContact O-N 3.07Å; F215-T218 PolarHBondContact O-OG1 3.26Å; F215-R259 VanDerWaalsContact CZ-NE 3.29Å
216	L	74.6	Confident	69.3	Low	30 Å²	30	42 Å²	42	16%	0.157	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-25.7	177.6	-60.6	177.3	0	0	0	112.8	I213 N214 T218 R259 C260 F263 F270	I213-L216 WeakPolarHBondContact O-CB 3.2Å; I213-L216 PolarHBondContact O-N 3.23Å; N214-L216 VanDerWaalsContact C-N 3.32Å; N214-L216 PolarHBondContact O-N 2.88Å; L216-T218 VanDerWaalsContact C-N 3.35Å; L216-R259 WeakPolarHBondContact O-CB 3.21Å; L216-C260 HydrophobicContact CB-CB 4.2Å; L216-C260 VanDerWaalsContact O-CB 3.31Å; L216-C260 WeakPolarHBondContact O-CB 3.4Å; L216-C260 PolarHBondContact O-N 3.45Å; L216-C260 PolarHBondContact O-SG 2.85Å; L216-C260 VanDerWaalsContact O-SG 3.37Å; L216-F263 HydrophobicContact CD2-CD1 4.31Å; L216-F263 HydrophobicContact CD2-CD2 4.1Å; L216-F263 HydrophobicContact CD2-CE1 3.55Å; L216-F263 HydrophobicContact CD2-CE2 3.31Å; L216-F263 HydrophobicContact CD2-CZ 3Å; L216-F263 HydrophobicContact CG-CZ 4.47Å; L216-F270 HydrophobicContact CD1-CE1 3.58Å; L216-F270 HydrophobicContact CD1-CZ 3.68Å
217	Y	75.2	Confident	71.7	Confident	16 Å²	16	38.8 Å²	38.8	6%	0.063	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	4.8	178.4	-69.8	-75.6	0	0	0	113.5	I213 N214 F215 F272 N338 H340	I213-Y217 HydrophobicContact CG2-CD2 4.33Å; I213-Y217 HydrophobicContact CG2-CE2 3.89Å; I213-Y217 WeakPolarHBondContact O-CD2 3.44Å; N214-Y217 PolarHBondContact O-N 2.81Å; F215-Y217 PolarHBondContact O-N 2.68Å; Y217-F272 HydrophobicContact CE1-CB 4.34Å; Y217-N338 WeakPolarHBondContact O-CB 3.44Å; Y217-N338 PolarHBondContact O-N 3.34Å; Y217-H340 AromaticContact CD2-CE1 3.42Å; Y217-H340 VanDerWaalsContact CD2-CE1 3.42Å; Y217-H340 WeakPolarHBondContact CD2-CE1 3.33Å; Y217-H340 AromaticContact CD2-NE2 3.66Å; Y217-H340 AromaticContact CE2-CE1 3.19Å; Y217-H340 WeakPolarHBondContact CE2-CE1 3.38Å; Y217-H340 AromaticContact CE2-NE2 3.85Å; Y217-H340 AromaticContact CZ-CE1 3.8Å
218	T	76.8	Confident	73.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-74.1	139.8	172.4	63.3	0	0	0	0	110.9	I205 F215 L216 L220 P258 R259 M336 L337	I205-T218 HydrophobicContact CD1-CG2 4.22Å; F215-T218 PolarHBondContact O-N 3.31Å; F215-T218 VanDerWaalsContact O-N 3.07Å; F215-T218 PolarHBondContact O-OG1 3.26Å; L216-T218 VanDerWaalsContact C-N 3.35Å; T218-L220 PolarHBondContact O-N 3.05Å; T218-P258 CarbonylContact O-C 3.55Å; T218-P258 VanDerWaalsContact O-CA 3.31Å; T218-P258 WeakPolarHBondContact O-CA 3.48Å; T218-R259 PolarHBondContact O-N 2.83Å; T218-R259 WeakPolarHBondContact OG1-CD 3.34Å; T218-R259 PolarHBondContact OG1-NE 3.24Å; T218-M336 CarbonylContact C-O 3.57Å; T218-M336 VanDerWaalsContact CA-O 3.27Å; T218-M336 WeakPolarHBondContact CA-O 3.15Å; T218-L337 HydrophobicContact CG2-CD1 4.12Å
219	D	78.2	Confident	75.5	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	127.4	168.7	-69	-19.6	0	0	0	109.2	L201 N256 R276 M336	L201-D219 HydrophobicContact CD1-CB 3.73Å; D219-N256 HydrophobicContact CB-CB 4.09Å; D219-N256 WeakPolarHBondContact OD2-CB 3.34Å; D219-N256 PolarHBondContact OD2-ND2 2.73Å; D219-R276 IonicContact OD2-NH1 3.07Å; D219-R276 PolarHBondContact OD2-NH1 3.41Å; D219-M336 HydrophobicContact CB-CE 4.33Å; D219-M336 PolarHBondContact N-O 3.26Å; D219-M336 WeakPolarHBondContact O-CE 3.14Å
220	L	82.4	Confident	76.3	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-46.6	179.2	-177.2	60.6	0	0	0	111.7	V114 V116 I200 L201 T218 I257 R259 L262	V114-L220 HydrophobicContact CG2-CD1 3.84Å; V114-L220 HydrophobicContact CG2-CD2 3.57Å; V114-L220 HydrophobicContact CG2-CG 3.92Å; V116-L220 HydrophobicContact CG1-CD2 4.44Å; V116-L220 HydrophobicContact CG2-CD2 4.23Å; I200-L220 HydrophobicContact CG2-CD1 4.24Å; L201-L220 PolarHBondContact N-O 3.43Å; T218-L220 PolarHBondContact O-N 3.05Å; L220-I257 PolarHBondContact N-O 2.81Å; L220-R259 HydrophobicContact CB-CG 3.72Å; L220-R259 HydrophobicContact CD1-CG 4.16Å; L220-R259 HydrophobicContact CD2-CG 4.12Å; L220-R259 HydrophobicContact CG-CG 4.21Å; L220-L262 HydrophobicContact CD2-CD1 3.75Å
221	L	87.3	Confident	76.5	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.3	-179.4	-57.6	177.5	0	0	0	109.8	L112 L125 V133 I200 I223 N256 I257 L262	L112-L221 HydrophobicContact CD1-CD2 4.14Å; L125-L221 HydrophobicContact CD1-CD1 3.36Å; L125-L221 HydrophobicContact CD1-CD2 4.22Å; L125-L221 HydrophobicContact CD1-CG 4.29Å; L125-L221 HydrophobicContact CD2-CD1 4.15Å; L125-L221 HydrophobicContact CG-CD1 4.41Å; V133-L221 HydrophobicContact CG1-CD1 4.19Å; I200-L221 HydrophobicContact CG1-CD2 4.35Å; L221-I223 HydrophobicContact CB-CD1 4.33Å; L221-I223 HydrophobicContact CB-CG1 4.15Å; L221-I223 HydrophobicContact CD1-CD1 4.45Å; L221-N256 CarbonylContact O-C 3.49Å; L221-N256 VanDerWaalsContact O-CA 3.26Å; L221-N256 WeakPolarHBondContact O-CA 3.09Å; L221-I257 HydrophobicContact CB-CB 4.19Å; L221-I257 HydrophobicContact CD1-CD1 4.39Å; L221-I257 PolarHBondContact N-O 2.94Å; L221-I257 VanDerWaalsContact N-O 3.16Å; L221-I257 PolarHBondContact O-N 2.81Å; L221-L262 HydrophobicContact CD1-CD1 4.02Å; L221-L262 HydrophobicContact CG-CD1 4.35Å
222	H	85.2	Confident	75.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	107.9	171.3	-177.7	75.3	0	0	0	108.2	I199 L201 I254 N256 Y318 S320 L334	I199-H222 HydrophobicContact CB-CB 4.31Å; I199-H222 PolarHBondContact N-O 2.78Å; I199-H222 PolarHBondContact O-N 3.32Å; L201-H222 HydrophobicContact CD1-CB 4.09Å; L201-H222 HydrophobicContact CD2-CB 3.99Å; L201-H222 HydrophobicContact CG-CB 4Å; H222-I254 WeakPolarHBondContact CE1-CG2 3.46Å; H222-N256 PolarHBondContact ND1-OD1 2.87Å; H222-Y318 PolarHBondContact ND1-OH 2.94Å; H222-S320 VanDerWaalsContact NE2-CB 3.33Å; H222-S320 WeakPolarHBondContact NE2-CB 3.15Å; H222-S320 PolarHBondContact NE2-OG 3.14Å; H222-L334 WeakPolarHBondContact CE1-CD1 3.18Å
223	I	88.8	Confident	74.2	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128	-171.3	-52.2	171	0	0	0	108.1	I127 V133 I148 V194 P198 L221 L225 I254 V255 I257	I127-I223 HydrophobicContact CD1-CD1 3.7Å; I127-I223 HydrophobicContact CD1-CG1 4.1Å; V133-I223 HydrophobicContact CG2-CD1 4.28Å; I148-I223 HydrophobicContact CD1-CD1 3.97Å; V194-I223 HydrophobicContact CG1-CG2 4.16Å; V194-I223 HydrophobicContact CG2-CG2 4.27Å; P198-I223 HydrophobicContact CB-CG1 4.08Å; L221-I223 HydrophobicContact CB-CD1 4.33Å; L221-I223 HydrophobicContact CB-CG1 4.15Å; L221-I223 HydrophobicContact CD1-CD1 4.45Å; I223-L225 HydrophobicContact CG2-CB 4.49Å; I223-L225 HydrophobicContact CG2-CD2 4.12Å; I223-I254 CarbonylContact O-C 3.53Å; I223-I254 WeakPolarHBondContact O-CA 3.14Å; I223-V255 PolarHBondContact N-O 2.86Å; I223-V255 PolarHBondContact O-N 3.39Å; I223-I257 HydrophobicContact CD1-CD1 3.42Å; I223-I257 VanDerWaalsContact CD1-CD1 3.42Å; I223-I257 HydrophobicContact CD1-CG1 3.98Å
224	A	87.3	Confident	72.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	135.7	165.8	0	0	0	0	0	110.1	T196 I293 P297 I322	T196-A224 PolarHBondContact OG1-O 2.94Å; A224-I293 HydrophobicContact CB-CD1 4.38Å; A224-I293 HydrophobicContact CB-CG2 3.88Å; A224-P297 HydrophobicContact CB-CG 4.06Å; A224-I322 HydrophobicContact CB-CD1 3.16Å
225	L	88.8	Confident	70.8	Confident	1 Å²	1	40 Å²	40	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	166.2	-174.5	64	84.7	0	0	0	111.9	I148 P192 I193 V194 I223 F227 A253 V255	I148-L225 HydrophobicContact CD1-CD2 3.49Å; I148-L225 VanDerWaalsContact CD1-CD2 3.49Å; I148-L225 HydrophobicContact CG2-CD2 4.34Å; P192-L225 HydrophobicContact CB-CD1 4.09Å; I193-L225 WeakPolarHBondContact O-CB 3.27Å; V194-L225 HydrophobicContact CG2-CB 3.9Å; V194-L225 HydrophobicContact CG2-CD2 4.32Å; I223-L225 HydrophobicContact CG2-CB 4.49Å; I223-L225 HydrophobicContact CG2-CD2 4.12Å; L225-F227 HydrophobicContact CD1-CD2 3.58Å; L225-F227 HydrophobicContact CD1-CE1 4.33Å; L225-F227 HydrophobicContact CD1-CE2 3.2Å; L225-F227 HydrophobicContact CD1-CG 4.29Å; L225-F227 HydrophobicContact CD1-CZ 3.63Å; L225-A253 PolarHBondContact N-O 2.85Å; L225-A253 PolarHBondContact O-N 3.13Å; L225-V255 HydrophobicContact CD1-CG2 4.32Å; L225-V255 HydrophobicContact CD2-CB 3.92Å; L225-V255 HydrophobicContact CD2-CG2 3.69Å; L225-V255 HydrophobicContact CG-CG2 4.15Å
226	N	88.3	Confident	68.8	Low	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	146.4	178.5	-57.4	-75.9	0	0	0	109	P192 I193 L250 I251 Y292 I293	P192-N226 CarbonylContact C-O 3.58Å; P192-N226 VanDerWaalsContact CA-O 3.32Å; P192-N226 WeakPolarHBondContact CA-O 3.43Å; I193-N226 PolarHBondContact N-O 3.44Å; I193-N226 PolarHBondContact O-N 3.07Å; N226-L250 HydrophobicContact CB-CD1 3.96Å; N226-I251 CarbonylContact C-O 3.52Å; N226-I251 VanDerWaalsContact CA-O 3.29Å; N226-I251 WeakPolarHBondContact CA-O 3.11Å; N226-Y292 WeakPolarHBondContact OD1-CA 3.25Å; N226-I293 PolarHBondContact ND2-O 3.16Å; N226-I293 PolarHBondContact OD1-N 3.22Å
227	F	90.1	Very high	66.8	Low	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.1	163.7	-63.9	-97.9	0	0	0	110	I148 I151 W173 L190 H191 P192 L225 L250 I251 A253 V255 L277	I148-F227 HydrophobicContact CG2-CZ 4.43Å; I151-F227 HydrophobicContact CB-CD1 4.39Å; I151-F227 HydrophobicContact CB-CE1 4.36Å; I151-F227 HydrophobicContact CD1-CB 3.67Å; I151-F227 HydrophobicContact CD1-CD1 3.8Å; I151-F227 HydrophobicContact CD1-CD2 3.64Å; I151-F227 HydrophobicContact CD1-CE1 4.29Å; I151-F227 HydrophobicContact CD1-CE2 4.14Å; I151-F227 HydrophobicContact CD1-CG 3.44Å; I151-F227 VanDerWaalsContact CD1-CG 3.44Å; I151-F227 HydrophobicContact CD1-CZ 4.45Å; I151-F227 HydrophobicContact CG1-CB 4.09Å; I151-F227 HydrophobicContact CG1-CD1 3.63Å; I151-F227 HydrophobicContact CG1-CD2 4.39Å; I151-F227 HydrophobicContact CG1-CE1 4.06Å; I151-F227 HydrophobicContact CG1-CG 3.81Å; I151-F227 HydrophobicContact CG2-CD1 4.13Å; I151-F227 HydrophobicContact CG2-CE1 3.64Å; I151-F227 HydrophobicContact CG2-CE2 4.32Å; I151-F227 HydrophobicContact CG2-CZ 3.75Å; W173-F227 HydrophobicContact CH2-CZ 4.4Å; W173-F227 HydrophobicContact CZ3-CE1 4.36Å; W173-F227 AromaticContact CZ3-CZ 3.97Å; W173-F227 HydrophobicContact CZ3-CZ 3.97Å; L190-F227 HydrophobicContact CB-CB 3.78Å; H191-F227 CarbonylContact O-C 3.41Å; H191-F227 VanDerWaalsContact O-CA 3.23Å; H191-F227 WeakPolarHBondContact O-CA 3.46Å; P192-F227 HydrophobicContact CB-CD1 3.82Å; P192-F227 HydrophobicContact CB-CE1 3.57Å; P192-F227 HydrophobicContact CB-CZ 4.18Å; P192-F227 HydrophobicContact CG-CD1 4.45Å; P192-F227 HydrophobicContact CG-CE1 4.12Å; L225-F227 HydrophobicContact CD1-CD2 3.58Å; L225-F227 HydrophobicContact CD1-CE1 4.33Å; L225-F227 HydrophobicContact CD1-CE2 3.2Å; L225-F227 HydrophobicContact CD1-CG 4.29Å; L225-F227 HydrophobicContact CD1-CZ 3.63Å; F227-L250 CarbonylContact O-C 3.57Å; F227-L250 WeakPolarHBondContact O-CA 3.41Å; F227-I251 HydrophobicContact CB-CB 4.15Å; F227-I251 HydrophobicContact CD2-CG2 4.42Å; F227-I251 PolarHBondContact N-O 3Å; F227-I251 PolarHBondContact O-N 3.5Å; F227-A253 HydrophobicContact CD2-CB 4.1Å; F227-A253 HydrophobicContact CE2-CB 3.87Å; F227-V255 HydrophobicContact CZ-CG2 4.49Å; F227-L277 HydrophobicContact CE2-CD1 3.54Å; F227-L277 HydrophobicContact CZ-CD1 3.98Å
228	V	87.3	Confident	64.7	Low	10 Å²	10	53.4 Å²	53.4	6%	0.061	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.7	-178.5	-68.1	0	0	0	0	111.8	L190 H191 I193 Y230 L250	L190-V228 CarbonylContact C-O 3.58Å; L190-V228 WeakPolarHBondContact CA-O 3.24Å; H191-V228 PolarHBondContact N-O 3.22Å; H191-V228 PolarHBondContact O-N 2.74Å; I193-V228 HydrophobicContact CD1-CB 4.47Å; I193-V228 HydrophobicContact CD1-CG1 4.41Å; I193-V228 HydrophobicContact CD1-CG2 3.27Å; I193-V228 HydrophobicContact CG1-CG2 3.92Å; V228-Y230 HydrophobicContact CG2-CE1 4.47Å; V228-Y230 PolarHBondContact O-N 3.24Å; V228-L250 HydrophobicContact CG1-CD1 3.33Å
229	S	83.6	Confident	62.5	Low	34 Å²	34	62 Å²	62	24%	0.238	37%	0.365	C	S	.	.			trans	-77.6	117.5	165.6	-172	0	0	0	0	109.5	L249	S229-L249 PolarHBondContact N-O 2.82Å
230	Y	63.8	Low	60.2	Low	97 Å²	97	69 Å²	69	38%	0.38	40%	0.403	S	S	.	.			trans	-68.3	141.7	163.8	-71.2	-57.2	0	0	0	109.3	H130 H191 V228 S232	H130-Y230 PolarHBondContact CD2-OH 3.33Å; H130-Y230 VanDerWaalsContact CD2-OH 3.24Å; H191-Y230 HydrophobicContact CB-CD2 3.8Å; H191-Y230 HydrophobicContact CB-CE2 3.34Å; H191-Y230 AromaticContact CD2-CD2 3.1Å; H191-Y230 WeakPolarHBondContact CD2-CD2 3.35Å; H191-Y230 AromaticContact CD2-CE2 3.65Å; H191-Y230 AromaticContact CG-CD2 3.44Å; H191-Y230 VanDerWaalsContact CG-CD2 3.44Å; H191-Y230 AromaticContact CG-CE2 3.45Å; H191-Y230 VanDerWaalsContact CG-CE2 3.45Å; H191-Y230 AromaticContact NE2-CD2 3.76Å; V228-Y230 HydrophobicContact CG2-CE1 4.47Å; V228-Y230 PolarHBondContact O-N 3.24Å; Y230-S232 PolarHBondContact O-N 2.89Å
231	H	53	Low	57.6	Low	128 Å²	128	77.3 Å²	77.3	59%	0.593	44%	0.441	S	S	*	.			trans	-68.5	113.7	160.7	-75.8	39.8	0	0	0	106.6	H233	H231-H233 PolarHBondContact O-N 3.21Å
232	S	37.7	Very low	55.3	Low	107 Å²	107	83.7 Å²	83.7	75%	0.748	49%	0.486	S	S	*	.			trans	-57.5	114.4	155.1	57.4	0	0	0	0	105.5	Y230 S234	Y230-S232 PolarHBondContact O-N 2.89Å; S232-S234 PolarHBondContact O-N 3.15Å
233	H	30.2	Very low	53	Low	182 Å²	182	88.2 Å²	88.2	84%	0.843	52%	0.517	S	S	*	.			trans	-51.6	97.1	165.4	-91.1	-65.4	0	0	0	107	H231 T235	H231-H233 PolarHBondContact O-N 3.21Å; H233-T235 PolarHBondContact O-N 3.1Å
234	S	28.2	Very low	50.5	Low	105 Å²	105	93.7 Å²	93.7	73%	0.734	56%	0.556	S	S	*	*			trans	-69.1	91	164.8	72.7	0	0	0	0	104.8	S232 T236	S232-S234 PolarHBondContact O-N 3.15Å; S234-T236 PolarHBondContact O-N 2.86Å
235	T	29.5	Very low	48.2	Very low	118 Å²	118	97.6 Å²	97.6	72%	0.724	59%	0.588	S	S	*	*			trans	-56.4	106	165.2	44.7	0	0	0	0	107	H233	H233-T235 PolarHBondContact O-N 3.1Å
236	T	29.5	Very low	46.2	Very low	131 Å²	131	104.1 Å²	104.1	80%	0.804	62%	0.623	S	S	*	*	S	Bend	trans	61.9	126.1	162.3	56	0	0	0	0	118.2	S234	S234-T236 PolarHBondContact O-N 2.86Å
237	A	32.1	Very low	44.8	Very low	102 Å²	102	108.8 Å²	108.8	84%	0.843	65%	0.645	S	S	*	*			trans	88.2	69.5	156.3	0	0	0	0	0	119.2
238	S	29.5	Very low	44	Very low	106 Å²	106	109.3 Å²	109.3	74%	0.741	65%	0.65	S	S	*	*			trans	-175.5	73.3	133.9	57.3	0	0	0	0	111	N240	S238-N240 PolarHBondContact O-N 2.73Å
239	L	31.3	Very low	43.8	Very low	180 Å²	180	108.9 Å²	108.9	94%	0.942	65%	0.647	S	S	*	*			trans	-84.7	12.4	168.8	-96.9	154.2	0	0	0	112.8
240	N	30.4	Very low	43.8	Very low	148 Å²	148	107.3 Å²	107.3	79%	0.791	64%	0.636	S	S	*	*			trans	-115.2	86.8	174.6	-76.1	-5.8	0	0	0	108.8	S238	S238-N240 PolarHBondContact O-N 2.73Å
241	E	28.6	Very low	44.9	Very low	174 Å²	174	102.7 Å²	102.7	81%	0.813	62%	0.618	S	S	*	*			trans	-176.2	130.1	138	-102.9	169.9	-159.4	0	0	108.3	S243	E241-S243 PolarHBondContact O-N 2.94Å
242	S	38.4	Very low	46.5	Very low	135 Å²	135	96.6 Å²	96.6	94%	0.944	59%	0.59	S	S	*	*			trans	-63.2	58.8	178.7	49.7	0	0	0	0	113.2
243	S	35.7	Very low	48.8	Very low	94 Å²	94	91.5 Å²	91.5	66%	0.657	55%	0.554	S	S	*	*			trans	-100.7	126.6	168.1	60.1	0	0	0	0	108.5	E241 A245	E241-S243 PolarHBondContact O-N 2.94Å; S243-A245 PolarHBondContact O-N 3.46Å
244	S	37.7	Very low	51.5	Low	115 Å²	115	82.8 Å²	82.8	80%	0.804	51%	0.514	S	S	*	.			trans	-10.7	111.2	173.6	52.2	0	0	0	0	115.4	N246	S244-N246 PolarHBondContact O-N 3.19Å
245	A	39.4	Very low	54.4	Low	83 Å²	83	77.8 Å²	77.8	69%	0.686	48%	0.479	S	S	*	.			trans	-42.7	106.5	173.7	0	0	0	0	0	112.4	S243 E247	S243-A245 PolarHBondContact O-N 3.46Å; A245-E247 VanDerWaalsContact O-CG 3.25Å; A245-E247 WeakPolarHBondContact O-CG 3.38Å; A245-E247 PolarHBondContact O-N 3.15Å
246	N	46	Very low	57.1	Low	138 Å²	138	72.2 Å²	72.2	74%	0.738	45%	0.445	S	S	*	.			trans	15.1	60.6	146.2	-64.3	-13.2	0	0	0	118.2	S244 G248	S244-N246 PolarHBondContact O-N 3.19Å; N246-G248 PolarHBondContact O-N 3.41Å
247	E	58.6	Low	59.9	Low	98 Å²	98	66 Å²	66	46%	0.458	41%	0.407	S	S	.	.			trans	-82.1	104.3	171.2	-56.5	-165.3	130.2	0	0	108.1	A245 W284 S286	A245-E247 VanDerWaalsContact O-CG 3.25Å; A245-E247 WeakPolarHBondContact O-CG 3.38Å; A245-E247 PolarHBondContact O-N 3.15Å; E247-W284 HydrophobicContact CB-CB 4.46Å; E247-W284 HydrophobicContact CB-CD2 4.03Å; E247-W284 HydrophobicContact CB-CE3 3.42Å; E247-W284 VanDerWaalsContact CB-CE3 3.42Å; E247-W284 HydrophobicContact CB-CZ3 3.89Å; E247-W284 VanDerWaalsContact O-CZ3 3.25Å; E247-W284 WeakPolarHBondContact O-CZ3 3.46Å; E247-S286 VanDerWaalsContact CD-OG 3.22Å; E247-S286 WeakPolarHBondContact OE1-CB 3.27Å; E247-S286 PolarHBondContact OE1-OG 3.47Å
248	G	74.1	Confident	62.3	Low	10 Å²	10	61.1 Å²	61.1	10%	0.103	37%	0.366	C	S	.	.			trans	-66.8	151	169.7	0	0	0	0	0	110.2	N246 L285	N246-G248 PolarHBondContact O-N 3.41Å; G248-L285 WeakPolarHBondContact O-CB 3.16Å; G248-L285 PolarHBondContact O-N 3.39Å
249	L	82	Confident	64.9	Low	2 Å²	2	56.8 Å²	56.8	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	142.4	-179.9	-171.2	73.6	0	0	0	110.6	L153 L158 L190 S229 I251 V282 D283 W284	L153-L249 HydrophobicContact CD2-CD2 3.28Å; L158-L249 HydrophobicContact CD2-CD1 4.27Å; L158-L249 HydrophobicContact CD2-CD2 4.27Å; L190-L249 HydrophobicContact CD1-CD2 4.04Å; L190-L249 HydrophobicContact CD2-CB 4.08Å; L190-L249 HydrophobicContact CD2-CD2 4.37Å; S229-L249 PolarHBondContact N-O 2.82Å; L249-I251 HydrophobicContact CD2-CD1 4.47Å; L249-V282 HydrophobicContact CD1-CG1 3.85Å; L249-V282 HydrophobicContact CD2-CG1 4.21Å; L249-V282 HydrophobicContact CG-CG1 4.16Å; L249-D283 WeakPolarHBondContact CD1-O 3.42Å; L249-W284 HydrophobicContact CD1-CD2 4.2Å; L249-W284 HydrophobicContact CD1-CE3 4.11Å; L249-W284 HydrophobicContact CD1-CZ3 4.47Å
250	L	84.9	Confident	67.2	Low	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.7	174.9	-177.9	73.5	0	0	0	110.5	N226 F227 V228 V282 D283 L285 P290 P291 Y292	N226-L250 HydrophobicContact CB-CD1 3.96Å; F227-L250 CarbonylContact O-C 3.57Å; F227-L250 WeakPolarHBondContact O-CA 3.41Å; V228-L250 HydrophobicContact CG1-CD1 3.33Å; L250-V282 WeakPolarHBondContact O-CA 3.38Å; L250-D283 PolarHBondContact N-O 2.86Å; L250-D283 PolarHBondContact O-N 3.02Å; L250-D283 VanDerWaalsContact O-O 3.06Å; L250-L285 HydrophobicContact CB-CD2 3.76Å; L250-L285 HydrophobicContact CB-CG 4.1Å; L250-L285 HydrophobicContact CD1-CD2 4.33Å; L250-L285 HydrophobicContact CD2-CD2 4.26Å; L250-L285 HydrophobicContact CG-CD2 4.35Å; L250-P290 HydrophobicContact CD2-CB 3.6Å; L250-P291 HydrophobicContact CD2-CG 3.91Å; L250-P291 HydrophobicContact CG-CG 4.24Å; L250-Y292 HydrophobicContact CD1-CD1 3.93Å; L250-Y292 HydrophobicContact CD1-CE1 3.55Å; L250-Y292 HydrophobicContact CD1-CE2 4.47Å; L250-Y292 HydrophobicContact CD2-CD1 3.86Å; L250-Y292 HydrophobicContact CD2-CD2 3.53Å; L250-Y292 HydrophobicContact CD2-CE1 3.98Å; L250-Y292 HydrophobicContact CD2-CE2 3.65Å; L250-Y292 HydrophobicContact CD2-CG 3.63Å; L250-Y292 HydrophobicContact CG-CE1 4.47Å
251	I	86.9	Confident	69.7	Low	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.3	174.4	-61.4	-166.4	0	0	0	109.8	I151 I171 L190 N226 F227 L249 A253 V279 E281 V282	I151-I251 HydrophobicContact CD1-CB 4.42Å; I151-I251 HydrophobicContact CD1-CD1 3.77Å; I151-I251 HydrophobicContact CD1-CG2 4.36Å; I171-I251 HydrophobicContact CD1-CD1 3.8Å; I171-I251 HydrophobicContact CG1-CD1 4.43Å; L190-I251 HydrophobicContact CD1-CD1 3.35Å; L190-I251 HydrophobicContact CD1-CG1 3.81Å; N226-I251 CarbonylContact C-O 3.52Å; N226-I251 VanDerWaalsContact CA-O 3.29Å; N226-I251 WeakPolarHBondContact CA-O 3.11Å; F227-I251 HydrophobicContact CB-CB 4.15Å; F227-I251 HydrophobicContact CD2-CG2 4.42Å; F227-I251 PolarHBondContact N-O 3Å; F227-I251 PolarHBondContact O-N 3.5Å; L249-I251 HydrophobicContact CD2-CD1 4.47Å; I251-A253 HydrophobicContact CG2-CB 4.47Å; I251-V279 HydrophobicContact CG2-CG1 3.53Å; I251-E281 WeakPolarHBondContact CA-O 3.36Å; I251-V282 HydrophobicContact CB-CG2 4.27Å; I251-V282 HydrophobicContact CD1-CG1 4.07Å; I251-V282 HydrophobicContact CD1-CG2 3.87Å; I251-V282 HydrophobicContact CG1-CB 4.2Å; I251-V282 HydrophobicContact CG1-CG1 3.72Å; I251-V282 HydrophobicContact CG1-CG2 3.73Å; I251-V282 HydrophobicContact CG2-CG2 4Å
252	A	86	Confident	72.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	129.4	166.9	0	0	0	0	0	109.9	L280 E281 P291 I293 T324	A252-L280 HydrophobicContact CB-CB 4.38Å; A252-L280 WeakPolarHBondContact O-CB 3.48Å; A252-L280 PolarHBondContact O-N 3.32Å; A252-E281 HydrophobicContact CB-CB 4.26Å; A252-E281 PolarHBondContact N-O 2.87Å; A252-E281 PolarHBondContact O-N 3.48Å; A252-P291 HydrophobicContact CB-CB 4.23Å; A252-P291 WeakPolarHBondContact CB-O 3.33Å; A252-I293 HydrophobicContact CB-CD1 3.7Å; A252-I293 HydrophobicContact CB-CG1 3.87Å; A252-T324 HydrophobicContact CB-CG2 3.91Å
253	A	86.5	Confident	74.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	160.8	-178.4	0	0	0	0	0	113.5	L225 F227 I251 L277 K278	L225-A253 PolarHBondContact N-O 2.85Å; L225-A253 PolarHBondContact O-N 3.13Å; F227-A253 HydrophobicContact CD2-CB 4.1Å; F227-A253 HydrophobicContact CE2-CB 3.87Å; I251-A253 HydrophobicContact CG2-CB 4.47Å; A253-L277 HydrophobicContact CB-CD1 3.65Å; A253-K278 CarbonylContact C-O 3.5Å; A253-K278 VanDerWaalsContact CA-O 3.22Å; A253-K278 WeakPolarHBondContact CA-O 3.47Å; A253-K278 WeakPolarHBondContact CB-O 3.44Å
254	I	86.8	Confident	75.3	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.8	163.6	-74.9	163.4	0	0	0	107.7	H222 I223 K278 L280 I322 A332 L334	H222-I254 WeakPolarHBondContact CE1-CG2 3.46Å; I223-I254 CarbonylContact O-C 3.53Å; I223-I254 WeakPolarHBondContact O-CA 3.14Å; I254-K278 HydrophobicContact CB-CB 4.11Å; I254-K278 HydrophobicContact CG2-CB 4.49Å; I254-K278 PolarHBondContact N-O 3.45Å; I254-K278 PolarHBondContact O-N 3.4Å; I254-L280 HydrophobicContact CD1-CD1 4.08Å; I254-L280 HydrophobicContact CD1-CD2 4.24Å; I254-L280 HydrophobicContact CG1-CD1 4.07Å; I254-I322 HydrophobicContact CD1-CG2 4.15Å; I254-I322 HydrophobicContact CG1-CD1 4.49Å; I254-A332 HydrophobicContact CD1-CB 4.16Å; I254-L334 HydrophobicContact CG2-CD1 4.33Å
255	V	88.3	Confident	76.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124	169.7	176.9	0	0	0	0	109.5	I148 W173 I223 L225 F227 I257 P275 R276 L277	I148-V255 HydrophobicContact CD1-CB 4.36Å; I148-V255 HydrophobicContact CD1-CG1 4.16Å; I148-V255 HydrophobicContact CG2-CG1 4.44Å; I148-V255 HydrophobicContact CG2-CG2 4.37Å; W173-V255 HydrophobicContact CH2-CG1 4.48Å; W173-V255 HydrophobicContact CH2-CG2 4.11Å; I223-V255 PolarHBondContact N-O 2.86Å; I223-V255 PolarHBondContact O-N 3.39Å; L225-V255 HydrophobicContact CD1-CG2 4.32Å; L225-V255 HydrophobicContact CD2-CB 3.92Å; L225-V255 HydrophobicContact CD2-CG2 3.69Å; L225-V255 HydrophobicContact CG-CG2 4.15Å; F227-V255 HydrophobicContact CZ-CG2 4.49Å; V255-I257 HydrophobicContact CG1-CG1 4.27Å; V255-P275 HydrophobicContact CG1-CB 3.74Å; V255-R276 VanDerWaalsContact CA-O 3.31Å; V255-R276 WeakPolarHBondContact CA-O 3.33Å; V255-L277 HydrophobicContact CG2-CD1 3.84Å
256	N	87	Confident	76.5	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.5	167.5	-70.2	-1.2	0	0	0	109.6	D219 L221 H222 P275 R276 Y318	D219-N256 HydrophobicContact CB-CB 4.09Å; D219-N256 WeakPolarHBondContact OD2-CB 3.34Å; D219-N256 PolarHBondContact OD2-ND2 2.73Å; L221-N256 CarbonylContact O-C 3.49Å; L221-N256 VanDerWaalsContact O-CA 3.26Å; L221-N256 WeakPolarHBondContact O-CA 3.09Å; H222-N256 PolarHBondContact ND1-OD1 2.87Å; N256-P275 WeakPolarHBondContact O-CA 3.42Å; N256-R276 HydrophobicContact CB-CB 4.29Å; N256-R276 PolarHBondContact N-O 2.91Å; N256-R276 PolarHBondContact O-N 3.23Å; N256-Y318 PolarHBondContact ND2-OH 2.88Å; N256-Y318 PolarHBondContact OD1-OH 3.06Å
257	I	87	Confident	76.7	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118	175	-57.8	-176.6	0	0	0	108.5	V133 F146 I148 L220 L221 I223 V255 A261 L262	V133-I257 HydrophobicContact CG2-CD1 3.68Å; F146-I257 HydrophobicContact CD1-CD1 3.83Å; F146-I257 HydrophobicContact CD1-CG2 4.47Å; F146-I257 HydrophobicContact CE1-CD1 4.02Å; F146-I257 HydrophobicContact CE1-CG1 4.35Å; I148-I257 HydrophobicContact CD1-CD1 4.21Å; I148-I257 HydrophobicContact CG1-CD1 4.24Å; L220-I257 PolarHBondContact N-O 2.81Å; L221-I257 HydrophobicContact CB-CB 4.19Å; L221-I257 HydrophobicContact CD1-CD1 4.39Å; L221-I257 PolarHBondContact N-O 2.94Å; L221-I257 VanDerWaalsContact N-O 3.16Å; L221-I257 PolarHBondContact O-N 2.81Å; I223-I257 HydrophobicContact CD1-CD1 3.42Å; I223-I257 VanDerWaalsContact CD1-CD1 3.42Å; I223-I257 HydrophobicContact CD1-CG1 3.98Å; V255-I257 HydrophobicContact CG1-CG1 4.27Å; I257-A261 HydrophobicContact CG2-CB 3.77Å; I257-L262 HydrophobicContact CG2-CD1 4.28Å; I257-L262 HydrophobicContact CG2-CD2 4.18Å; I257-L262 HydrophobicContact CG2-CG 4.03Å
258	P	83.1	Confident	76.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	154.2	174.8	30.7	-35.6	0	0	0	111.8	T218 C260 A261 C273	T218-P258 CarbonylContact O-C 3.55Å; T218-P258 VanDerWaalsContact O-CA 3.31Å; T218-P258 WeakPolarHBondContact O-CA 3.48Å; P258-C260 VanDerWaalsContact C-N 3.27Å; P258-C260 PolarHBondContact O-N 3.35Å; P258-A261 HydrophobicContact CG-CB 4.13Å; P258-A261 WeakPolarHBondContact O-CB 3.33Å; P258-A261 PolarHBondContact O-N 2.82Å; P258-C273 VanDerWaalsContact CG-SG 3.58Å
259	R	83.5	Confident	75.2	Confident	15 Å²	15	44.3 Å²	44.3	6%	0.057	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-50.4	-48.7	178.5	-70.8	179.9	179.4	-95	-3.8	111.5	D115 V116 F215 L216 T218 L220 A261 L262 F263	D115-R259 PolarHBondContact O-NH1 3.21Å; V116-R259 PolarHBondContact O-NH1 3.18Å; F215-R259 VanDerWaalsContact CZ-NE 3.29Å; L216-R259 WeakPolarHBondContact O-CB 3.21Å; T218-R259 PolarHBondContact O-N 2.83Å; T218-R259 WeakPolarHBondContact OG1-CD 3.34Å; T218-R259 PolarHBondContact OG1-NE 3.24Å; L220-R259 HydrophobicContact CB-CG 3.72Å; L220-R259 HydrophobicContact CD1-CG 4.16Å; L220-R259 HydrophobicContact CD2-CG 4.12Å; L220-R259 HydrophobicContact CG-CG 4.21Å; R259-A261 PolarHBondContact O-N 2.84Å; R259-L262 PolarHBondContact O-N 2.75Å; R259-F263 HydrophobicContact CB-CE2 4.16Å; R259-F263 VanDerWaalsContact O-CD2 3.28Å; R259-F263 WeakPolarHBondContact O-CD2 3.18Å
260	C	81	Confident	73.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-54.8	-22.8	-178.2	56.2	0	0	0	0	114.4	L216 P258 L262 F263 F270 C273	L216-C260 HydrophobicContact CB-CB 4.2Å; L216-C260 VanDerWaalsContact O-CB 3.31Å; L216-C260 WeakPolarHBondContact O-CB 3.4Å; L216-C260 PolarHBondContact O-N 3.45Å; L216-C260 PolarHBondContact O-SG 2.85Å; L216-C260 VanDerWaalsContact O-SG 3.37Å; P258-C260 VanDerWaalsContact C-N 3.27Å; P258-C260 PolarHBondContact O-N 3.35Å; C260-L262 PolarHBondContact O-N 3.44Å; C260-F263 PolarHBondContact O-N 3.36Å; C260-F270 HydrophobicContact CB-CD1 4.36Å; C260-F270 HydrophobicContact CB-CG 4.45Å; C260-C273 WeakPolarHBondContact CA-SG 3Å; C260-C273 HydrophobicContact CB-CB 3.9Å; C260-C273 WeakPolarHBondContact CB-SG 3.31Å; C260-C273 WeakPolarHBondContact SG-CB 3.39Å; C260-C273 CovalentContact SG-SG 2.01Å; C260-C273 PolarHBondContact SG-SG 3Å
261	A	81.4	Confident	72.3	Confident	12 Å²	12	54.3 Å²	54.3	10%	0.099	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-78.5	-16.3	-177.5	0	0	0	0	0	111.2	F146 I257 P258 R259 C273	F146-A261 HydrophobicContact CD2-CB 4.03Å; F146-A261 HydrophobicContact CE2-CB 4.06Å; I257-A261 HydrophobicContact CG2-CB 3.77Å; P258-A261 HydrophobicContact CG-CB 4.13Å; P258-A261 WeakPolarHBondContact O-CB 3.33Å; P258-A261 PolarHBondContact O-N 2.82Å; R259-A261 PolarHBondContact O-N 2.84Å; A261-C273 WeakPolarHBondContact CA-SG 3.26Å; A261-C273 PolarHBondContact N-SG 3.47Å
262	L	83.7	Confident	71.1	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.021	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-105.6	5.8	177.2	-53.5	172.3	0	0	0	111.4	V116 L125 V133 T135 S144 F146 L220 L221 I257 R259 C260	V116-L262 HydrophobicContact CG1-CB 4.12Å; L125-L262 HydrophobicContact CD1-CD1 4.23Å; V133-L262 HydrophobicContact CG1-CD2 3.86Å; T135-L262 HydrophobicContact CG2-CB 4.46Å; T135-L262 HydrophobicContact CG2-CD2 4.15Å; S144-L262 PolarHBondContact OG-O 3.4Å; F146-L262 HydrophobicContact CB-CD2 4.08Å; L220-L262 HydrophobicContact CD2-CD1 3.75Å; L221-L262 HydrophobicContact CD1-CD1 4.02Å; L221-L262 HydrophobicContact CG-CD1 4.35Å; I257-L262 HydrophobicContact CG2-CD1 4.28Å; I257-L262 HydrophobicContact CG2-CD2 4.18Å; I257-L262 HydrophobicContact CG2-CG 4.03Å; R259-L262 PolarHBondContact O-N 2.75Å; C260-L262 PolarHBondContact O-N 3.44Å
263	F	75.5	Confident	70.5	Confident	23 Å²	23	61.6 Å²	61.6	10%	0.101	29%	0.288	C	S	.	.			trans	-77.2	136.2	174.4	-92.7	-108.6	0	0	0	110.7	V116 Y117 L216 R259 C260 L265	V116-F263 HydrophobicContact CG1-CD2 4.08Å; V116-F263 HydrophobicContact CG1-CE2 3.87Å; Y117-F263 HydrophobicContact CD1-CD1 4.24Å; Y117-F263 AromaticContact CD1-CE1 3.4Å; Y117-F263 HydrophobicContact CD1-CE1 3.4Å; Y117-F263 VanDerWaalsContact CD1-CE1 3.4Å; Y117-F263 HydrophobicContact CD1-CE2 4.46Å; Y117-F263 AromaticContact CD1-CZ 3.51Å; Y117-F263 HydrophobicContact CD1-CZ 3.51Å; Y117-F263 AromaticContact CE1-CD1 3.66Å; Y117-F263 HydrophobicContact CE1-CD1 3.66Å; Y117-F263 AromaticContact CE1-CE1 3.3Å; Y117-F263 HydrophobicContact CE1-CE1 3.3Å; Y117-F263 HydrophobicContact CE1-CG 4.42Å; Y117-F263 AromaticContact CE1-CZ 3.77Å; Y117-F263 HydrophobicContact CE1-CZ 3.77Å; Y117-F263 HydrophobicContact CG-CZ 4.42Å; L216-F263 HydrophobicContact CD2-CD1 4.31Å; L216-F263 HydrophobicContact CD2-CD2 4.1Å; L216-F263 HydrophobicContact CD2-CE1 3.55Å; L216-F263 HydrophobicContact CD2-CE2 3.31Å; L216-F263 HydrophobicContact CD2-CZ 3Å; L216-F263 HydrophobicContact CG-CZ 4.47Å; R259-F263 HydrophobicContact CB-CE2 4.16Å; R259-F263 VanDerWaalsContact O-CD2 3.28Å; R259-F263 WeakPolarHBondContact O-CD2 3.18Å; C260-F263 PolarHBondContact O-N 3.36Å; F263-L265 VanDerWaalsContact C-N 3.33Å; F263-L265 HydrophobicContact CD1-CD1 4.4Å
264	Y	61	Low	69.8	Low	173 Å²	173	64.6 Å²	64.6	68%	0.678	31%	0.309	S	S	*	.			trans	-72.9	-24.4	173.5	175.7	-108.5	0	0	0	113.3	L143 K266	L143-Y264 WeakPolarHBondContact O-CD2 3.38Å; Y264-K266 PolarHBondContact O-N 2.72Å; Y264-K266 VanDerWaalsContact O-N 3.16Å
265	L	55.1	Low	69.6	Low	103 Å²	103	65 Å²	65	54%	0.539	31%	0.311	S	S	.	.	S	Bend	trans	-64.8	119.9	-175.1	-73.6	167.5	0	0	0	110	F263 N267	F263-L265 VanDerWaalsContact C-N 3.33Å; F263-L265 HydrophobicContact CD1-CD1 4.4Å; L265-N267 PolarHBondContact O-N 2.96Å
266	K	47.9	Very low	69.2	Low	172 Å²	172	67.9 Å²	67.9	75%	0.748	32%	0.322	S	S	*	.			trans	-20.9	111.1	-178.8	-70.2	-179.9	177	-179.2	0	112.4	Y264 E268 D269	Y264-K266 PolarHBondContact O-N 2.72Å; Y264-K266 VanDerWaalsContact O-N 3.16Å; K266-E268 PolarHBondContact O-N 3Å; K266-D269 PolarHBondContact O-N 3.17Å
267	N	50.3	Low	68.9	Low	123 Å²	123	69.6 Å²	69.6	66%	0.658	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-42.8	-17.5	178.4	-95.8	-14.9	0	0	0	116.2	L265 D269 F270	L265-N267 PolarHBondContact O-N 2.96Å; N267-D269 PolarHBondContact O-N 2.81Å; N267-F270 PolarHBondContact O-N 2.9Å
268	E	49.1	Very low	68.5	Low	172 Å²	172	70.6 Å²	70.6	80%	0.804	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-59.9	-29.6	179	-63.3	-158.4	169.6	0	0	113.5	K266 F270	K266-E268 PolarHBondContact O-N 3Å; E268-F270 VanDerWaalsContact C-N 3.35Å
269	D	51.6	Low	68.5	Low	130 Å²	130	71.1 Å²	71.1	70%	0.695	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-77.2	-19.4	-179.9	-71.1	-27.7	0	0	0	113.2	K266 N267	K266-D269 PolarHBondContact O-N 3.17Å; N267-D269 PolarHBondContact O-N 2.81Å
270	F	52.6	Low	68.2	Low	30 Å²	30	70.8 Å²	70.8	13%	0.132	34%	0.338	C	S	.	.			trans	-118.5	63.2	-171.5	-57.2	-73.4	0	0	0	113	L216 C260 N267 E268 F272 C273	L216-F270 HydrophobicContact CD1-CE1 3.58Å; L216-F270 HydrophobicContact CD1-CZ 3.68Å; C260-F270 HydrophobicContact CB-CD1 4.36Å; C260-F270 HydrophobicContact CB-CG 4.45Å; N267-F270 PolarHBondContact O-N 2.9Å; E268-F270 VanDerWaalsContact C-N 3.35Å; F270-F272 PolarHBondContact O-N 2.79Å; F270-C273 HydrophobicContact CB-CB 4.07Å; F270-C273 PolarHBondContact O-N 3.09Å
271	K	54.7	Low	68.1	Low	182 Å²	182	72.2 Å²	72.2	79%	0.791	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-17.7	177.2	-75.6	-174.2	178.3	179.8	0	116
272	F	60.6	Low	68.1	Low	134 Å²	134	72.3 Å²	72.3	59%	0.588	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	29.9	-172.6	-61.4	-71.3	0	0	0	114	Y217 F270 S274	Y217-F272 HydrophobicContact CE1-CB 4.34Å; F270-F272 PolarHBondContact O-N 2.79Å; F272-S274 PolarHBondContact O-N 3.14Å
273	C	73.3	Confident	67.9	Low	19 Å²	19	74 Å²	74	13%	0.128	35%	0.354	C	S	.	.			trans	-96.9	58.1	178.6	-159.7	0	0	0	0	113.6	P258 C260 A261 F270	P258-C273 VanDerWaalsContact CG-SG 3.58Å; C260-C273 WeakPolarHBondContact CA-SG 3Å; C260-C273 HydrophobicContact CB-CB 3.9Å; C260-C273 WeakPolarHBondContact CB-SG 3.31Å; C260-C273 WeakPolarHBondContact SG-CB 3.39Å; C260-C273 CovalentContact SG-SG 2.01Å; C260-C273 PolarHBondContact SG-SG 3Å; A261-C273 WeakPolarHBondContact CA-SG 3.26Å; A261-C273 PolarHBondContact N-SG 3.47Å; F270-C273 HydrophobicContact CB-CB 4.07Å; F270-C273 PolarHBondContact O-N 3.09Å
274	S	73.2	Confident	68.2	Low	64 Å²	64	75.7 Å²	75.7	45%	0.448	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-92.5	144.2	177.4	59.4	0	0	0	0	111.8	F272	F272-S274 PolarHBondContact O-N 3.14Å
275	P	82.6	Confident	68.8	Low	7 Å²	7	70.1 Å²	70.1	5%	0.045	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-63.6	151.8	170.7	30.8	-37.1	0	0	0	110.7	F146 P149 W173 V255 N256	F146-P275 HydrophobicContact CE1-CB 4.34Å; F146-P275 HydrophobicContact CE1-CG 4.24Å; F146-P275 HydrophobicContact CZ-CB 4.15Å; F146-P275 HydrophobicContact CZ-CG 3.71Å; P149-P275 HydrophobicContact CG-CG 4.41Å; W173-P275 HydrophobicContact CH2-CG 4.08Å; W173-P275 HydrophobicContact CZ2-CB 4.11Å; W173-P275 HydrophobicContact CZ2-CG 3.66Å; W173-P275 PolarHBondContact NE1-O 2.79Å; V255-P275 HydrophobicContact CG1-CB 3.74Å; N256-P275 WeakPolarHBondContact O-CA 3.42Å
276	R	78.2	Confident	69.6	Low	61 Å²	61	68.5 Å²	68.5	23%	0.23	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117	178.2	-60.7	174.6	69.6	-174.9	9.1	109.7	D219 V255 N256 T335	D219-R276 IonicContact OD2-NH1 3.07Å; D219-R276 PolarHBondContact OD2-NH1 3.41Å; V255-R276 VanDerWaalsContact CA-O 3.31Å; V255-R276 WeakPolarHBondContact CA-O 3.33Å; N256-R276 HydrophobicContact CB-CB 4.29Å; N256-R276 PolarHBondContact N-O 2.91Å; N256-R276 PolarHBondContact O-N 3.23Å; R276-T335 PolarHBondContact NH1-O 3.49Å; R276-T335 PolarHBondContact NH1-OG1 2.88Å; R276-T335 PolarHBondContact NH2-OG1 2.76Å; R276-T335 VanDerWaalsContact NH2-OG1 3.15Å
277	L	82.5	Confident	70.7	Confident	37 Å²	37	62.9 Å²	62.9	19%	0.194	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132.8	174	-177.8	63.8	0	0	0	110.7	I151 I171 W173 F227 A253 V255 V279	I151-L277 HydrophobicContact CG2-CD2 3.75Å; I171-L277 HydrophobicContact CG2-CD2 3.79Å; W173-L277 HydrophobicContact CH2-CB 3.9Å; W173-L277 HydrophobicContact CH2-CD1 4.25Å; W173-L277 HydrophobicContact CH2-CG 4.49Å; W173-L277 HydrophobicContact CZ2-CB 3.52Å; F227-L277 HydrophobicContact CE2-CD1 3.54Å; F227-L277 HydrophobicContact CZ-CD1 3.98Å; A253-L277 HydrophobicContact CB-CD1 3.65Å; V255-L277 HydrophobicContact CG2-CD1 3.84Å; L277-V279 HydrophobicContact CD2-CG2 3.89Å; L277-V279 HydrophobicContact CG-CG2 3.95Å
278	K	78.8	Confident	71.5	Confident	21 Å²	21	66.1 Å²	66.1	9%	0.091	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	101.5	169	-171.3	70.9	165.7	-145.8	0	109	A253 I254 L280 E347 V348	A253-K278 CarbonylContact C-O 3.5Å; A253-K278 VanDerWaalsContact CA-O 3.22Å; A253-K278 WeakPolarHBondContact CA-O 3.47Å; A253-K278 WeakPolarHBondContact CB-O 3.44Å; I254-K278 HydrophobicContact CB-CB 4.11Å; I254-K278 HydrophobicContact CG2-CB 4.49Å; I254-K278 PolarHBondContact N-O 3.45Å; I254-K278 PolarHBondContact O-N 3.4Å; K278-L280 HydrophobicContact CG-CD2 4.28Å; K278-E347 PolarHBondContact NZ-O 2.77Å; K278-V348 HydrophobicContact CD-CB 4.41Å; K278-V348 HydrophobicContact CD-CG1 4.45Å; K278-V348 HydrophobicContact CD-CG2 3.56Å; K278-V348 VanDerWaalsContact NZ-CG2 3.27Å
279	V	81.5	Confident	72.6	Confident	12 Å²	12	59.6 Å²	59.6	7%	0.073	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	132.4	175.5	-167.4	0	0	0	0	108.9	F168 I171 I251 L277 V282	F168-V279 HydrophobicContact CD1-CB 3.63Å; F168-V279 HydrophobicContact CD1-CG1 3.69Å; F168-V279 HydrophobicContact CD1-CG2 4.41Å; F168-V279 HydrophobicContact CE1-CB 3.73Å; F168-V279 HydrophobicContact CE1-CG1 3.46Å; F168-V279 VanDerWaalsContact CE1-CG1 3.46Å; I171-V279 HydrophobicContact CD1-CB 4.5Å; I171-V279 HydrophobicContact CD1-CG1 4.05Å; I171-V279 HydrophobicContact CD1-CG2 3.85Å; I171-V279 HydrophobicContact CG2-CG2 4.4Å; I251-V279 HydrophobicContact CG2-CG1 3.53Å; L277-V279 HydrophobicContact CD2-CG2 3.89Å; L277-V279 HydrophobicContact CG-CG2 3.95Å; V279-V282 HydrophobicContact CG1-CG2 3.67Å
280	L	78.1	Confident	73.6	Confident	8 Å²	8	54 Å²	54	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-49.3	-177.2	-59.3	178.3	0	0	0	111.3	A252 I254 K278 I293 I322 H330	A252-L280 HydrophobicContact CB-CB 4.38Å; A252-L280 WeakPolarHBondContact O-CB 3.48Å; A252-L280 PolarHBondContact O-N 3.32Å; I254-L280 HydrophobicContact CD1-CD1 4.08Å; I254-L280 HydrophobicContact CD1-CD2 4.24Å; I254-L280 HydrophobicContact CG1-CD1 4.07Å; K278-L280 HydrophobicContact CG-CD2 4.28Å; L280-I293 HydrophobicContact CD1-CD1 4.13Å; L280-I322 HydrophobicContact CD1-CG2 3.5Å; L280-I322 VanDerWaalsContact CD1-CG2 3.5Å; L280-H330 HydrophobicContact CD1-CB 4.31Å; L280-H330 HydrophobicContact CD2-CB 3.98Å; L280-H330 PolarHBondContact O-CE1 2.99Å
281	E	78.8	Confident	74.7	Confident	30 Å²	30	52.6 Å²	52.6	14%	0.14	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	146.2	-173.4	-168.1	173.3	170.2	0	0	109.5	I251 A252 P291 T324 S326 N328 H330	I251-E281 WeakPolarHBondContact CA-O 3.36Å; A252-E281 HydrophobicContact CB-CB 4.26Å; A252-E281 PolarHBondContact N-O 2.87Å; A252-E281 PolarHBondContact O-N 3.48Å; E281-P291 HydrophobicContact CB-CB 3.82Å; E281-P291 HydrophobicContact CB-CG 4.49Å; E281-P291 HydrophobicContact CG-CB 3.56Å; E281-P291 HydrophobicContact CG-CG 4.13Å; E281-T324 PolarHBondContact OE2-OG1 2.87Å; E281-S326 VanDerWaalsContact OE1-CB 3.29Å; E281-S326 WeakPolarHBondContact OE1-CB 3.41Å; E281-S326 PolarHBondContact OE1-OG 2.93Å; E281-S326 PolarHBondContact OE2-OG 2.82Å; E281-N328 PolarHBondContact OE1-ND2 2.89Å; E281-N328 PolarHBondContact OE2-ND2 3.06Å; E281-H330 IonicContact OE2-CE1 3.79Å; E281-H330 IonicContact OE2-NE2 2.8Å; E281-H330 PolarHBondContact OE2-NE2 3.19Å
282	V	80.5	Confident	75.9	Confident	14 Å²	14	46.5 Å²	46.5	9%	0.085	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	126.4	179.4	-178.8	0	0	0	0	108.3	L167 I171 L249 L250 I251 V279	L167-V282 HydrophobicContact CD2-CB 3.76Å; L167-V282 HydrophobicContact CD2-CG1 3.38Å; L167-V282 HydrophobicContact CD2-CG2 3.89Å; I171-V282 HydrophobicContact CD1-CG2 4.48Å; L249-V282 HydrophobicContact CD1-CG1 3.85Å; L249-V282 HydrophobicContact CD2-CG1 4.21Å; L249-V282 HydrophobicContact CG-CG1 4.16Å; L250-V282 WeakPolarHBondContact O-CA 3.38Å; I251-V282 HydrophobicContact CB-CG2 4.27Å; I251-V282 HydrophobicContact CD1-CG1 4.07Å; I251-V282 HydrophobicContact CD1-CG2 3.87Å; I251-V282 HydrophobicContact CG1-CB 4.2Å; I251-V282 HydrophobicContact CG1-CG1 3.72Å; I251-V282 HydrophobicContact CG1-CG2 3.73Å; I251-V282 HydrophobicContact CG2-CG2 4Å; V279-V282 HydrophobicContact CG1-CG2 3.67Å
283	D	80.8	Confident	76.6	Confident	40 Å²	40	40.1 Å²	40.1	21%	0.214	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	168.7	176.1	-150.7	-11.2	0	0	0	111.3	L249 L250 V287 P291	L249-D283 WeakPolarHBondContact CD1-O 3.42Å; L250-D283 PolarHBondContact N-O 2.86Å; L250-D283 PolarHBondContact O-N 3.02Å; L250-D283 VanDerWaalsContact O-O 3.06Å; D283-V287 WeakPolarHBondContact OD1-CG2 3.33Å; D283-P291 HydrophobicContact CB-CG 3.94Å
284	W	80.3	Confident	76.4	Confident	57 Å²	57	43.6 Å²	43.6	22%	0.216	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	142.8	176.6	-56.9	95.9	0	0	0	111.5	L158 E247 L249 S286 V287	L158-W284 HydrophobicContact CB-CH2 4.22Å; L158-W284 HydrophobicContact CB-CZ2 4.19Å; L158-W284 HydrophobicContact CD1-CH2 3.79Å; L158-W284 HydrophobicContact CD1-CZ2 4.43Å; L158-W284 HydrophobicContact CD1-CZ3 4.46Å; L158-W284 HydrophobicContact CD2-CH2 4.07Å; L158-W284 HydrophobicContact CD2-CZ2 3.95Å; L158-W284 HydrophobicContact CG-CH2 4.26Å; L158-W284 HydrophobicContact CG-CZ2 4.43Å; E247-W284 HydrophobicContact CB-CB 4.46Å; E247-W284 HydrophobicContact CB-CD2 4.03Å; E247-W284 HydrophobicContact CB-CE3 3.42Å; E247-W284 VanDerWaalsContact CB-CE3 3.42Å; E247-W284 HydrophobicContact CB-CZ3 3.89Å; E247-W284 VanDerWaalsContact O-CZ3 3.25Å; E247-W284 WeakPolarHBondContact O-CZ3 3.46Å; L249-W284 HydrophobicContact CD1-CD2 4.2Å; L249-W284 HydrophobicContact CD1-CE3 4.11Å; L249-W284 HydrophobicContact CD1-CZ3 4.47Å; W284-S286 PolarHBondContact O-N 3.47Å; W284-V287 HydrophobicContact CB-CG2 4.2Å; W284-V287 WeakPolarHBondContact O-CB 3.28Å; W284-V287 PolarHBondContact O-N 3.18Å; W284-V287 VanDerWaalsContact O-N 3.09Å
285	L	75	Confident	76.2	Confident	57 Å²	57	41 Å²	41	30%	0.298	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.6	172.9	-74.1	172.7	0	0	0	112.8	G248 L250 V287 Y292	G248-L285 WeakPolarHBondContact O-CB 3.16Å; G248-L285 PolarHBondContact O-N 3.39Å; L250-L285 HydrophobicContact CB-CD2 3.76Å; L250-L285 HydrophobicContact CB-CG 4.1Å; L250-L285 HydrophobicContact CD1-CD2 4.33Å; L250-L285 HydrophobicContact CD2-CD2 4.26Å; L250-L285 HydrophobicContact CG-CD2 4.35Å; L285-V287 PolarHBondContact O-N 3.01Å; L285-Y292 HydrophobicContact CD2-CE2 3.84Å; L285-Y292 WeakPolarHBondContact CD2-OH 3.12Å
286	S	71.3	Confident	75.7	Confident	68 Å²	68	42.3 Å²	42.3	48%	0.476	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.1	174.6	56.3	0	0	0	0	113.1	E247 W284	E247-S286 VanDerWaalsContact CD-OG 3.22Å; E247-S286 WeakPolarHBondContact OE1-CB 3.27Å; E247-S286 PolarHBondContact OE1-OG 3.47Å; W284-S286 PolarHBondContact O-N 3.47Å
287	V	70.9	Confident	75.3	Confident	55 Å²	55	39.8 Å²	39.8	33%	0.333	20%	0.202	S	C	.	.	S	Bend	trans	-69.7	141.5	178.1	177.3	0	0	0	0	110.4	D283 W284 L285 L289 P290	D283-V287 WeakPolarHBondContact OD1-CG2 3.33Å; W284-V287 HydrophobicContact CB-CG2 4.2Å; W284-V287 WeakPolarHBondContact O-CB 3.28Å; W284-V287 PolarHBondContact O-N 3.18Å; W284-V287 VanDerWaalsContact O-N 3.09Å; L285-V287 PolarHBondContact O-N 3.01Å; V287-L289 PolarHBondContact O-N 3.04Å; V287-L289 VanDerWaalsContact O-N 3.14Å; V287-P290 WeakPolarHBondContact O-CD 3.44Å
288	K	68.4	Low	74.7	Confident	190 Å²	190	39.3 Å²	39.3	83%	0.826	20%	0.2	S	C	*	.	S	Bend	trans	-55.5	-33.1	-177.1	-173.2	179.6	178.2	-175.2	0	113.3
289	L	70.5	Confident	74	Confident	35 Å²	35	40.7 Å²	40.7	18%	0.183	21%	0.208	C	C	.	.	S	Bend	trans	-128.9	84.1	177.9	-60.7	176.3	0	0	0	109.1	V287 F325 T361 P362	V287-L289 PolarHBondContact O-N 3.04Å; V287-L289 VanDerWaalsContact O-N 3.14Å; L289-F325 HydrophobicContact CB-CD1 4.45Å; L289-F325 HydrophobicContact CD2-CD1 4.22Å; L289-F325 HydrophobicContact CD2-CE1 3.72Å; L289-F325 HydrophobicContact CD2-CZ 4.47Å; L289-T361 HydrophobicContact CD1-CG2 4.25Å; L289-P362 HydrophobicContact CD2-CB 3.9Å; L289-P362 HydrophobicContact CD2-CG 3.57Å
290	P	73.7	Confident	73	Confident	14 Å²	14	41.1 Å²	41.1	9%	0.091	21%	0.21	C	C	.	.			trans	-66.3	154.1	177.2	-0.1	11.5	0	0	0	110.1	L250 V287 Y292 F325	L250-P290 HydrophobicContact CD2-CB 3.6Å; V287-P290 WeakPolarHBondContact O-CD 3.44Å; P290-Y292 HydrophobicContact CB-CD2 3.7Å; P290-Y292 HydrophobicContact CB-CE2 3.84Å; P290-Y292 HydrophobicContact CG-CD2 3.8Å; P290-Y292 HydrophobicContact CG-CE2 3.8Å; P290-Y292 PolarHBondContact O-N 3.3Å; P290-F325 WeakPolarHBondContact O-CB 3.12Å; P290-F325 WeakPolarHBondContact O-CD1 3.44Å
291	P	75.8	Confident	71.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.			trans	-74.8	51.4	179.5	32.9	-40.7	0	0	0	113.4	L250 A252 E281 D283	L250-P291 HydrophobicContact CD2-CG 3.91Å; L250-P291 HydrophobicContact CG-CG 4.24Å; A252-P291 HydrophobicContact CB-CB 4.23Å; A252-P291 WeakPolarHBondContact CB-O 3.33Å; E281-P291 HydrophobicContact CB-CB 3.82Å; E281-P291 HydrophobicContact CB-CG 4.49Å; E281-P291 HydrophobicContact CG-CB 3.56Å; E281-P291 HydrophobicContact CG-CG 4.13Å; D283-P291 HydrophobicContact CB-CG 3.94Å
292	Y	79	Confident	70	Confident	54 Å²	54	49 Å²	49	21%	0.212	26%	0.264	C	S	.	.			trans	-71.3	139.3	176.8	-83.6	-76.4	0	0	0	111.5	N226 L250 L285 P290 F294 T324 F325	N226-Y292 WeakPolarHBondContact OD1-CA 3.25Å; L250-Y292 HydrophobicContact CD1-CD1 3.93Å; L250-Y292 HydrophobicContact CD1-CE1 3.55Å; L250-Y292 HydrophobicContact CD1-CE2 4.47Å; L250-Y292 HydrophobicContact CD2-CD1 3.86Å; L250-Y292 HydrophobicContact CD2-CD2 3.53Å; L250-Y292 HydrophobicContact CD2-CE1 3.98Å; L250-Y292 HydrophobicContact CD2-CE2 3.65Å; L250-Y292 HydrophobicContact CD2-CG 3.63Å; L250-Y292 HydrophobicContact CG-CE1 4.47Å; L285-Y292 HydrophobicContact CD2-CE2 3.84Å; L285-Y292 WeakPolarHBondContact CD2-OH 3.12Å; P290-Y292 HydrophobicContact CB-CD2 3.7Å; P290-Y292 HydrophobicContact CB-CE2 3.84Å; P290-Y292 HydrophobicContact CG-CD2 3.8Å; P290-Y292 HydrophobicContact CG-CE2 3.8Å; P290-Y292 PolarHBondContact O-N 3.3Å; Y292-F294 HydrophobicContact CD1-CE1 4.48Å; Y292-F294 HydrophobicContact CD1-CZ 4.05Å; Y292-F294 HydrophobicContact CD2-CZ 4.36Å; Y292-F294 HydrophobicContact CG-CE2 4Å; Y292-F294 AromaticContact CG-CZ 3.75Å; Y292-F294 HydrophobicContact CG-CZ 3.75Å; Y292-T324 CarbonylContact O-C 3.53Å; Y292-F325 VanDerWaalsContact O-CB 3.28Å; Y292-F325 WeakPolarHBondContact O-CB 3.2Å; Y292-F325 PolarHBondContact O-N 3.33Å
293	I	75.3	Confident	68.2	Low	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.267	C	S	.	.			trans	-99.8	118.8	167.8	-59.5	168.5	0	0	0	108.5	T196 A224 N226 A252 L280 I322 T324	T196-I293 HydrophobicContact CG2-CG2 3.76Å; A224-I293 HydrophobicContact CB-CD1 4.38Å; A224-I293 HydrophobicContact CB-CG2 3.88Å; N226-I293 PolarHBondContact ND2-O 3.16Å; N226-I293 PolarHBondContact OD1-N 3.22Å; A252-I293 HydrophobicContact CB-CD1 3.7Å; A252-I293 HydrophobicContact CB-CG1 3.87Å; L280-I293 HydrophobicContact CD1-CD1 4.13Å; I293-I322 HydrophobicContact CD1-CD1 3.94Å; I293-I322 HydrophobicContact CG1-CD1 4.36Å; I293-I322 HydrophobicContact CG2-CD1 3.66Å; I293-I322 HydrophobicContact CG2-CG1 4.15Å; I293-T324 HydrophobicContact CG1-CG2 4.01Å
294	F	69.9	Low	66.4	Low	91 Å²	91	52.1 Å²	52.1	40%	0.399	28%	0.281	S	S	.	.			trans	-117.3	-10.3	173.3	-62.8	-65.7	0	0	0	113.5	Y195 Y292 F325	Y195-F294 HydrophobicContact CD2-CD1 4.13Å; Y195-F294 HydrophobicContact CD2-CE1 4.02Å; Y195-F294 HydrophobicContact CE2-CE1 4.24Å; Y195-F294 HydrophobicContact CG-CD1 4.33Å; Y292-F294 HydrophobicContact CD1-CE1 4.48Å; Y292-F294 HydrophobicContact CD1-CZ 4.05Å; Y292-F294 HydrophobicContact CD2-CZ 4.36Å; Y292-F294 HydrophobicContact CG-CE2 4Å; Y292-F294 AromaticContact CG-CZ 3.75Å; Y292-F294 HydrophobicContact CG-CZ 3.75Å; F294-F325 HydrophobicContact CD2-CB 4.39Å; F294-F325 AromaticContact CD2-CD2 3.99Å; F294-F325 HydrophobicContact CD2-CD2 3.99Å; F294-F325 HydrophobicContact CE2-CB 4.27Å; F294-F325 AromaticContact CE2-CD2 3.73Å; F294-F325 HydrophobicContact CE2-CD2 3.73Å; F294-F325 HydrophobicContact CE2-CE2 4.3Å; F294-F325 HydrophobicContact CE2-CG 4.19Å
295	S	68.4	Low	64.6	Low	11 Å²	11	50.7 Å²	50.7	8%	0.077	28%	0.283	C	S	.	.	S	Bend	trans	-110	139	-177.1	73.3	0	0	0	0	111.7	T196 T323	T196-S295 VanDerWaalsContact CG2-C 3.42Å; T196-S295 VanDerWaalsContact CG2-O 3.25Å; T196-S295 WeakPolarHBondContact CG2-O 3.43Å; S295-T323 PolarHBondContact OG-OG1 3.24Å
296	S	72	Confident	62.9	Low	34 Å²	34	54.6 Å²	54.6	24%	0.238	30%	0.3	C	S	.	.			trans	-63	138.9	174.4	-46.9	0	0	0	0	110.3	D197	D197-S296 WeakPolarHBondContact CB-OG 3.32Å; D197-S296 PolarHBondContact N-OG 2.76Å
297	P	71.2	Confident	61.4	Low	8 Å²	8	54.1 Å²	54.1	5%	0.052	30%	0.295	C	S	.	.			trans	-59.8	160.4	178.6	12.9	-17.5	0	0	0	111.7	I199 A224 F321 I322	I199-P297 HydrophobicContact CD1-CB 3.85Å; I199-P297 HydrophobicContact CD1-CG 3.66Å; I199-P297 WeakPolarHBondContact CD1-O 3.37Å; I199-P297 HydrophobicContact CG1-CG 4.17Å; A224-P297 HydrophobicContact CB-CG 4.06Å; P297-F321 WeakPolarHBondContact CA-O 3.04Å; P297-I322 HydrophobicContact CB-CB 4.48Å; P297-I322 HydrophobicContact CB-CD1 4.26Å; P297-I322 HydrophobicContact CG-CD1 4.47Å
298	T	68.1	Low	59.6	Low	26 Å²	26	61.3 Å²	61.3	16%	0.16	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.1	169	58.3	0	0	0	0	109.8	S320 F321	T298-S320 CarbonylContact O-C 3.44Å; T298-S320 WeakPolarHBondContact O-CA 3.16Å; T298-F321 PolarHBondContact N-O 3.4Å; T298-F321 WeakPolarHBondContact O-CD2 3.26Å; T298-F321 PolarHBondContact O-N 2.84Å
299	I	65	Low	58.1	Low	51 Å²	51	55.6 Å²	55.6	26%	0.262	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.8	179.8	-61.7	-179	0	0	0	109.5	I199 L201 A301 Y318 Y319	I199-I299 HydrophobicContact CB-CD1 4.18Å; I199-I299 HydrophobicContact CD1-CD1 3.86Å; I199-I299 HydrophobicContact CD1-CG1 3.72Å; I199-I299 HydrophobicContact CG2-CD1 3.6Å; I199-I299 HydrophobicContact CG2-CG1 4.41Å; L201-I299 HydrophobicContact CD2-CD1 3.36Å; I299-A301 PolarHBondContact O-N 2.88Å; I299-Y318 HydrophobicContact CD1-CD2 4.13Å; I299-Y318 HydrophobicContact CD1-CE2 4.06Å; I299-Y318 HydrophobicContact CG1-CD2 4.38Å; I299-Y318 HydrophobicContact CG2-CD2 4Å; I299-Y319 WeakPolarHBondContact CA-O 3.38Å
300	N	59.8	Low	56.9	Low	21 Å²	21	63.7 Å²	63.7	11%	0.112	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	113.4	170.8	-161.7	-15.2	0	0	0	111.4	N302 V303 Y319 F321 T388	N300-N302 VanDerWaalsContact C-N 3.3Å; N300-N302 PolarHBondContact O-N 3.14Å; N300-N302 WeakPolarHBondContact OD1-CB 3.31Å; N300-N302 PolarHBondContact OD1-N 3.29Å; N300-V303 HydrophobicContact CB-CG2 4.24Å; N300-V303 WeakPolarHBondContact ND2-CG2 3.43Å; N300-Y319 PolarHBondContact N-O 2.49Å; N300-F321 HydrophobicContact CB-CE2 3.72Å; N300-F321 HydrophobicContact CB-CZ 3.95Å; N300-T388 VanDerWaalsContact ND2-CG2 3.32Å; N300-T388 WeakPolarHBondContact ND2-CG2 3.13Å; N300-T388 PolarHBondContact ND2-OG1 2.84Å
301	A	50	Low	55.2	Low	78 Å²	78	69.9 Å²	69.9	65%	0.645	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	-28.6	174.1	0	0	0	0	0	113.4	I299 V303	I299-A301 PolarHBondContact O-N 2.88Å; A301-V303 PolarHBondContact O-N 2.68Å
302	N	44.3	Very low	53.5	Low	124 Å²	124	81.8 Å²	81.8	66%	0.663	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	-3.7	-174.2	-70.7	-17.8	0	0	0	114.1	N300 V386	N300-N302 VanDerWaalsContact C-N 3.3Å; N300-N302 PolarHBondContact O-N 3.14Å; N300-N302 WeakPolarHBondContact OD1-CB 3.31Å; N300-N302 PolarHBondContact OD1-N 3.29Å; N302-V386 HydrophobicContact CB-CG1 4.1Å
303	V	43.6	Very low	51.8	Low	25 Å²	25	81.5 Å²	81.5	15%	0.152	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	46.1	-177.3	-156	0	0	0	0	110.5	N300 A301 G305 Y319 V386	N300-V303 HydrophobicContact CB-CG2 4.24Å; N300-V303 WeakPolarHBondContact ND2-CG2 3.43Å; A301-V303 PolarHBondContact O-N 2.68Å; V303-G305 PolarHBondContact O-N 3.09Å; V303-Y319 HydrophobicContact CB-CD2 3.58Å; V303-Y319 HydrophobicContact CB-CE2 4.01Å; V303-Y319 HydrophobicContact CG1-CD2 3.33Å; V303-Y319 HydrophobicContact CG1-CE2 3.2Å; V303-Y319 HydrophobicContact CG1-CG 4.48Å; V303-Y319 HydrophobicContact CG2-CD2 4.41Å; V303-V386 HydrophobicContact CG2-CB 4.16Å; V303-V386 HydrophobicContact CG2-CG1 4.17Å
304	L	41.5	Very low	50.3	Low	95 Å²	95	88.3 Å²	88.3	50%	0.497	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	83.3	151.4	-72.3	169.3	0	0	0	107.2	E306 D316 S317	L304-E306 PolarHBondContact O-N 2.87Å; L304-D316 HydrophobicContact CD2-CB 4.07Å; L304-S317 WeakPolarHBondContact CA-O 3.32Å
305	G	42.7	Very low	49.4	Very low	27 Å²	27	85 Å²	85	28%	0.278	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	106.2	171.9	0	0	0	0	0	108.2	V303 T307 S317	V303-G305 PolarHBondContact O-N 3.09Å; G305-T307 PolarHBondContact O-N 3.42Å; G305-S317 PolarHBondContact N-O 3.06Å; G305-S317 PolarHBondContact O-OG 2.86Å
306	E	40.3	Very low	49	Very low	140 Å²	140	86.1 Å²	86.1	65%	0.654	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	99	166.4	-78.5	-174.3	-168.9	0	0	108.4	L304 Y314	L304-E306 PolarHBondContact O-N 2.87Å; E306-Y314 HydrophobicContact CB-CD1 4.46Å; E306-Y314 HydrophobicContact CG-CD1 4.43Å
307	T	40.1	Very low	48.5	Very low	58 Å²	58	84.6 Å²	84.6	36%	0.356	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	113.3	171.9	55.1	0	0	0	0	108.9	G305 V309 I315	G305-T307 PolarHBondContact O-N 3.42Å; T307-V309 PolarHBondContact O-N 3.36Å; T307-V309 VanDerWaalsContact O-N 3.14Å; T307-I315 PolarHBondContact N-O 3.48Å; T307-I315 PolarHBondContact O-N 2.97Å; T307-I315 PolarHBondContact OG1-O 2.81Å
308	R	32	Very low	48.3	Very low	205 Å²	205	84.6 Å²	84.6	77%	0.774	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	102.3	167	-77.9	-171.2	-175.8	-174.4	2	108.6	Y314	R308-Y314 HydrophobicContact CG-CE1 4.4Å
309	V	38.2	Very low	48.3	Very low	71 Å²	71	84.9 Å²	84.9	43%	0.43	42%	0.419	S	S	.	.			trans	-68.3	137.9	160.6	-175.5	0	0	0	0	107.3	T307 D311 I315	T307-V309 PolarHBondContact O-N 3.36Å; T307-V309 VanDerWaalsContact O-N 3.14Å; V309-D311 PolarHBondContact O-N 3.43Å; V309-I315 HydrophobicContact CG2-CD1 3.63Å; V309-I315 HydrophobicContact CG2-CG1 3.99Å
310	K	44.8	Very low	48.6	Very low	204 Å²	204	82.5 Å²	82.5	89%	0.887	41%	0.406	S	S	*	.	S	Bend	trans	-56.1	-6.4	-166.5	-93.9	-175	176.1	-179.1	0	116.8
311	D	37.2	Very low	49.1	Very low	144 Å²	144	81.7 Å²	81.7	77%	0.77	40%	0.402	S	S	*	.	S	Bend	trans	-145.7	112	166.2	-78.4	-56.3	0	0	0	110.8	V309 S313	V309-D311 PolarHBondContact O-N 3.43Å; D311-S313 PolarHBondContact O-N 3.48Å; D311-S313 VanDerWaalsContact O-N 3.08Å
312	R	41.3	Very low	50.3	Low	251 Å²	251	78 Å²	78	95%	0.947	37%	0.371	S	S	*	.	S	Bend	trans	59.1	2.5	159.4	-65.9	-171.2	179.5	-173.2	0	122.9
313	S	42.4	Very low	51.7	Low	48 Å²	48	72.2 Å²	72.2	34%	0.336	34%	0.34	S	S	.	.			trans	-119.2	116.6	170.1	62.2	0	0	0	0	112.6	D311	D311-S313 PolarHBondContact O-N 3.48Å; D311-S313 VanDerWaalsContact O-N 3.08Å
314	Y	43.5	Very low	53.1	Low	142 Å²	142	71 Å²	71	56%	0.557	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	123.1	163.2	-68	-96.4	0	0	0	107.7	E306 R308	E306-Y314 HydrophobicContact CB-CD1 4.46Å; E306-Y314 HydrophobicContact CG-CD1 4.43Å; R308-Y314 HydrophobicContact CG-CE1 4.4Å
315	I	50.8	Low	54.5	Low	23 Å²	23	69 Å²	69	12%	0.118	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113.7	171.5	-55.2	179.8	0	0	0	107.3	T307 V309 S317 T335 L337	T307-I315 PolarHBondContact N-O 3.48Å; T307-I315 PolarHBondContact O-N 2.97Å; T307-I315 PolarHBondContact OG1-O 2.81Å; V309-I315 HydrophobicContact CG2-CD1 3.63Å; V309-I315 HydrophobicContact CG2-CG1 3.99Å; I315-S317 PolarHBondContact O-N 3.34Å; I315-T335 HydrophobicContact CG2-CG2 3.77Å; I315-L337 HydrophobicContact CG2-CB 4.25Å
316	D	59.9	Low	55.6	Low	34 Å²	34	68.7 Å²	68.7	18%	0.182	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	122.5	170	-69.8	-21.5	0	0	0	108.4	I205 L304 M336	I205-D316 WeakPolarHBondContact CG1-OD2 3.31Å; L304-D316 HydrophobicContact CD2-CB 4.07Å; D316-M336 HydrophobicContact CB-CB 4.2Å; D316-M336 HydrophobicContact CB-CG 3.87Å; D316-M336 WeakPolarHBondContact O-CB 3.46Å; D316-M336 WeakPolarHBondContact O-CG 2.98Å; D316-M336 PolarHBondContact O-N 3.08Å
317	S	62	Low	56.9	Low	2 Å²	2	62.1 Å²	62.1	1%	0.014	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	145.6	170.4	61.8	0	0	0	0	109.7	L304 G305 I315 L334	L304-S317 WeakPolarHBondContact CA-O 3.32Å; G305-S317 PolarHBondContact N-O 3.06Å; G305-S317 PolarHBondContact O-OG 2.86Å; I315-S317 PolarHBondContact O-N 3.34Å; S317-L334 CarbonylContact C-O 3.42Å; S317-L334 WeakPolarHBondContact CA-O 3.15Å; S317-L334 WeakPolarHBondContact CB-O 3.36Å
318	Y	67	Low	58.4	Low	7 Å²	7	61.7 Å²	61.7	3%	0.027	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	158.5	176.8	66.6	-86.1	0	0	0	110.2	L201 H222 N256 I299 Q333 L334 M336	L201-Y318 HydrophobicContact CD1-CE1 3.87Å; L201-Y318 VanDerWaalsContact CD1-OH 3.3Å; L201-Y318 WeakPolarHBondContact CD1-OH 3.26Å; L201-Y318 HydrophobicContact CD2-CD2 4.45Å; L201-Y318 HydrophobicContact CD2-CE1 4.18Å; L201-Y318 HydrophobicContact CD2-CE2 3.94Å; H222-Y318 PolarHBondContact ND1-OH 2.94Å; N256-Y318 PolarHBondContact ND2-OH 2.88Å; N256-Y318 PolarHBondContact OD1-OH 3.06Å; I299-Y318 HydrophobicContact CD1-CD2 4.13Å; I299-Y318 HydrophobicContact CD1-CE2 4.06Å; I299-Y318 HydrophobicContact CG1-CD2 4.38Å; I299-Y318 HydrophobicContact CG2-CD2 4Å; Y318-Q333 WeakPolarHBondContact O-CA 3.43Å; Y318-L334 HydrophobicContact CD1-CB 4.17Å; Y318-L334 HydrophobicContact CD2-CB 4.38Å; Y318-L334 HydrophobicContact CE1-CB 3.6Å; Y318-L334 HydrophobicContact CE2-CB 3.86Å; Y318-L334 HydrophobicContact CE2-CD1 3.71Å; Y318-L334 HydrophobicContact CE2-CG 4.4Å; Y318-L334 VanDerWaalsContact CZ-CB 3.43Å; Y318-L334 PolarHBondContact N-O 3.01Å; Y318-L334 PolarHBondContact O-N 3.48Å; Y318-L334 WeakPolarHBondContact OH-CD1 3.33Å; Y318-M336 HydrophobicContact CD1-CG 4.13Å; Y318-M336 HydrophobicContact CD1-SD 3.71Å; Y318-M336 HydrophobicContact CE1-CG 4.44Å; Y318-M336 HydrophobicContact CE1-SD 3.68Å
319	Y	67.9	Low	60.3	Low	33 Å²	33	52 Å²	52	13%	0.129	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.3	175.4	-71.7	-96.1	0	0	0	109	I299 N300 V303 V331 A332 Q333 S406	I299-Y319 WeakPolarHBondContact CA-O 3.38Å; N300-Y319 PolarHBondContact N-O 2.49Å; V303-Y319 HydrophobicContact CB-CD2 3.58Å; V303-Y319 HydrophobicContact CB-CE2 4.01Å; V303-Y319 HydrophobicContact CG1-CD2 3.33Å; V303-Y319 HydrophobicContact CG1-CE2 3.2Å; V303-Y319 HydrophobicContact CG1-CG 4.48Å; V303-Y319 HydrophobicContact CG2-CD2 4.41Å; Y319-V331 HydrophobicContact CD1-CG1 3.92Å; Y319-A332 WeakPolarHBondContact CA-O 3.47Å; Y319-Q333 HydrophobicContact CD1-CB 4.08Å; Y319-Q333 HydrophobicContact CD1-CG 4.42Å; Y319-Q333 HydrophobicContact CE1-CB 3.73Å; Y319-Q333 HydrophobicContact CE1-CG 3.91Å; Y319-Q333 HydrophobicContact CE2-CG 4.14Å; Y319-Q333 PolarHBondContact OH-NE2 2.79Å; Y319-Q333 PolarHBondContact OH-OE1 3.19Å; Y319-S406 WeakPolarHBondContact CE1-OG 3.43Å; Y319-S406 WeakPolarHBondContact OH-CB 3.48Å; Y319-S406 PolarHBondContact OH-OG 3.09Å
320	S	70.7	Confident	61.9	Low	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137.1	171	178.9	0	0	0	0	109.5	H222 T298 V331 A332	H222-S320 VanDerWaalsContact NE2-CB 3.33Å; H222-S320 WeakPolarHBondContact NE2-CB 3.15Å; H222-S320 PolarHBondContact NE2-OG 3.14Å; T298-S320 CarbonylContact O-C 3.44Å; T298-S320 WeakPolarHBondContact O-CA 3.16Å; S320-V331 CarbonylContact O-C 3.51Å; S320-V331 WeakPolarHBondContact O-CA 3.31Å; S320-A332 PolarHBondContact N-O 2.78Å; S320-A332 PolarHBondContact O-N 2.89Å
321	F	71.7	Confident	63.1	Low	4 Å²	4	39.9 Å²	39.9	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.4	173.9	-43.4	-64.3	0	0	0	109.1	P297 T298 N300 H330 V331 T388 L404	P297-F321 WeakPolarHBondContact CA-O 3.04Å; T298-F321 PolarHBondContact N-O 3.4Å; T298-F321 WeakPolarHBondContact O-CD2 3.26Å; T298-F321 PolarHBondContact O-N 2.84Å; N300-F321 HydrophobicContact CB-CE2 3.72Å; N300-F321 HydrophobicContact CB-CZ 3.95Å; F321-H330 WeakPolarHBondContact CA-O 3.47Å; F321-V331 HydrophobicContact CD1-CB 4.14Å; F321-V331 HydrophobicContact CD1-CG1 3.81Å; F321-V331 HydrophobicContact CD1-CG2 3.82Å; F321-V331 HydrophobicContact CE1-CB 4.41Å; F321-V331 HydrophobicContact CE1-CG1 3.64Å; F321-V331 HydrophobicContact CE1-CG2 4.2Å; F321-T388 HydrophobicContact CE2-CG2 3.89Å; F321-T388 HydrophobicContact CZ-CG2 3.61Å; F321-L404 HydrophobicContact CD1-CD1 3.59Å; F321-L404 HydrophobicContact CD2-CD1 4.25Å; F321-L404 HydrophobicContact CE1-CB 4.16Å; F321-L404 HydrophobicContact CE1-CD1 3.59Å; F321-L404 HydrophobicContact CE1-CG 4.47Å; F321-L404 HydrophobicContact CE2-CD1 4.25Å; F321-L404 HydrophobicContact CG-CD1 3.91Å; F321-L404 HydrophobicContact CZ-CD1 3.95Å
322	I	74.1	Confident	64.6	Low	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	142	-179.7	-169.6	159.1	0	0	0	111.3	A224 I254 L280 I293 P297 I329 H330	A224-I322 HydrophobicContact CB-CD1 3.16Å; I254-I322 HydrophobicContact CD1-CG2 4.15Å; I254-I322 HydrophobicContact CG1-CD1 4.49Å; L280-I322 HydrophobicContact CD1-CG2 3.5Å; L280-I322 VanDerWaalsContact CD1-CG2 3.5Å; I293-I322 HydrophobicContact CD1-CD1 3.94Å; I293-I322 HydrophobicContact CG1-CD1 4.36Å; I293-I322 HydrophobicContact CG2-CD1 3.66Å; I293-I322 HydrophobicContact CG2-CG1 4.15Å; P297-I322 HydrophobicContact CB-CB 4.48Å; P297-I322 HydrophobicContact CB-CD1 4.26Å; P297-I322 HydrophobicContact CG-CD1 4.47Å; I322-I329 CarbonylContact O-C 3.45Å; I322-I329 WeakPolarHBondContact O-CA 3.29Å; I322-H330 HydrophobicContact CG2-CB 3.75Å; I322-H330 PolarHBondContact N-O 2.81Å; I322-H330 PolarHBondContact O-N 3.04Å
323	T	74.2	Confident	65.8	Low	3 Å²	3	23.9 Å²	23.9	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.9	178.3	58.7	0	0	0	0	110.2	S295 N328 I329 L365 C367	S295-T323 PolarHBondContact OG-OG1 3.24Å; T323-N328 WeakPolarHBondContact CA-O 3.46Å; T323-I329 HydrophobicContact CG2-CG1 4.03Å; T323-I329 HydrophobicContact CG2-CG2 4.46Å; T323-L365 PolarHBondContact OG1-O 3.11Å; T323-C367 HydrophobicContact CG2-CB 4.25Å
324	T	73.5	Confident	67	Low	1 Å²	1	22.1 Å²	22.1	1%	0.006	10%	0.104	C	C	.	.			trans	-100.2	158.2	170.8	55.1	0	0	0	0	110.2	A252 E281 Y292 I293 S326 G327 N328 H330	A252-T324 HydrophobicContact CB-CG2 3.91Å; E281-T324 PolarHBondContact OE2-OG1 2.87Å; Y292-T324 CarbonylContact O-C 3.53Å; I293-T324 HydrophobicContact CG1-CG2 4.01Å; T324-S326 PolarHBondContact O-N 3.38Å; T324-S326 PolarHBondContact OG1-OG 2.97Å; T324-G327 WeakPolarHBondContact O-CA 3.28Å; T324-G327 PolarHBondContact O-N 2.8Å; T324-N328 PolarHBondContact N-O 3.28Å; T324-N328 WeakPolarHBondContact OG1-CB 3.39Å; T324-N328 PolarHBondContact OG1-N 3.31Å; T324-N328 PolarHBondContact OG1-O 2.97Å; T324-H330 WeakPolarHBondContact CG2-NE2 3.29Å
325	F	70.7	Confident	68.1	Low	52 Å²	52	17.5 Å²	17.5	23%	0.228	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.8	177.4	-175.3	-91.8	0	0	0	112.5	L289 P290 Y292 F294 G327 P362	L289-F325 HydrophobicContact CB-CD1 4.45Å; L289-F325 HydrophobicContact CD2-CD1 4.22Å; L289-F325 HydrophobicContact CD2-CE1 3.72Å; L289-F325 HydrophobicContact CD2-CZ 4.47Å; P290-F325 WeakPolarHBondContact O-CB 3.12Å; P290-F325 WeakPolarHBondContact O-CD1 3.44Å; Y292-F325 VanDerWaalsContact O-CB 3.28Å; Y292-F325 WeakPolarHBondContact O-CB 3.2Å; Y292-F325 PolarHBondContact O-N 3.33Å; F294-F325 HydrophobicContact CD2-CB 4.39Å; F294-F325 AromaticContact CD2-CD2 3.99Å; F294-F325 HydrophobicContact CD2-CD2 3.99Å; F294-F325 HydrophobicContact CE2-CB 4.27Å; F294-F325 AromaticContact CE2-CD2 3.73Å; F294-F325 HydrophobicContact CE2-CD2 3.73Å; F294-F325 HydrophobicContact CE2-CE2 4.3Å; F294-F325 HydrophobicContact CE2-CG 4.19Å; F325-G327 PolarHBondContact O-N 2.73Å; F325-P362 HydrophobicContact CD1-CB 3.61Å; F325-P362 HydrophobicContact CD1-CG 4.44Å; F325-P362 HydrophobicContact CD2-CB 3.25Å; F325-P362 HydrophobicContact CD2-CG 4.31Å; F325-P362 HydrophobicContact CE1-CB 3.43Å; F325-P362 VanDerWaalsContact CE1-CB 3.43Å; F325-P362 HydrophobicContact CE1-CG 3.79Å; F325-P362 HydrophobicContact CE2-CB 3.09Å; F325-P362 HydrophobicContact CE2-CG 3.67Å; F325-P362 HydrophobicContact CG-CB 3.53Å; F325-P362 HydrophobicContact CZ-CB 3.16Å; F325-P362 HydrophobicContact CZ-CG 3.35Å; F325-P362 VanDerWaalsContact O-CA 3.29Å; F325-P362 WeakPolarHBondContact O-CA 3.5Å; F325-P362 WeakPolarHBondContact O-CB 2.88Å
326	S	66.6	Low	68.9	Low	21 Å²	21	16.8 Å²	16.8	15%	0.147	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-6.7	168.5	59.6	0	0	0	0	113.5	E281 T324 N328	E281-S326 VanDerWaalsContact OE1-CB 3.29Å; E281-S326 WeakPolarHBondContact OE1-CB 3.41Å; E281-S326 PolarHBondContact OE1-OG 2.93Å; E281-S326 PolarHBondContact OE2-OG 2.82Å; T324-S326 PolarHBondContact O-N 3.38Å; T324-S326 PolarHBondContact OG1-OG 2.97Å; S326-N328 PolarHBondContact OG-ND2 3.23Å
327	G	66.4	Low	69	Low	2 Å²	2	16.5 Å²	16.5	2%	0.021	9%	0.085	C	C	.	.	S	Bend	trans	92.8	1.5	177.6	0	0	0	0	0	114.3	T324 F325	T324-G327 WeakPolarHBondContact O-CA 3.28Å; T324-G327 PolarHBondContact O-N 2.8Å; F325-G327 PolarHBondContact O-N 2.73Å
328	N	71.7	Confident	68.7	Low	49 Å²	49	17.3 Å²	17.3	26%	0.262	9%	0.089	S	C	.	.			trans	-77	143.2	178.7	-62.5	-41.6	0	0	0	111.2	E281 T323 T324 S326	E281-N328 PolarHBondContact OE1-ND2 2.89Å; E281-N328 PolarHBondContact OE2-ND2 3.06Å; T323-N328 WeakPolarHBondContact CA-O 3.46Å; T324-N328 PolarHBondContact N-O 3.28Å; T324-N328 WeakPolarHBondContact OG1-CB 3.39Å; T324-N328 PolarHBondContact OG1-N 3.31Å; T324-N328 PolarHBondContact OG1-O 2.97Å; S326-N328 PolarHBondContact OG-ND2 3.23Å
329	I	71.4	Confident	67.8	Low	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.8	165.7	-49.4	172	0	0	0	107.6	I322 T323 I353 C367 Q392 L404	I322-I329 CarbonylContact O-C 3.45Å; I322-I329 WeakPolarHBondContact O-CA 3.29Å; T323-I329 HydrophobicContact CG2-CG1 4.03Å; T323-I329 HydrophobicContact CG2-CG2 4.46Å; I329-I353 HydrophobicContact CB-CD1 3.46Å; I329-I353 VanDerWaalsContact CB-CD1 3.46Å; I329-I353 HydrophobicContact CB-CG1 4Å; I329-I353 HydrophobicContact CD1-CD1 3.43Å; I329-I353 VanDerWaalsContact CD1-CD1 3.43Å; I329-I353 HydrophobicContact CG1-CD1 3.56Å; I329-I353 HydrophobicContact CG1-CG1 4.49Å; I329-C367 HydrophobicContact CD1-CB 4.38Å; I329-Q392 VanDerWaalsContact CD1-CD 3.48Å; I329-Q392 HydrophobicContact CD1-CG 4.48Å; I329-L404 HydrophobicContact CG2-CD2 4.25Å
330	H	72.8	Confident	66.5	Low	17 Å²	17	21.9 Å²	21.9	8%	0.079	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.5	174.1	-54	-91.1	0	0	0	109.7	L280 E281 F321 I322 T324	L280-H330 HydrophobicContact CD1-CB 4.31Å; L280-H330 HydrophobicContact CD2-CB 3.98Å; L280-H330 PolarHBondContact O-CE1 2.99Å; E281-H330 IonicContact OE2-CE1 3.79Å; E281-H330 IonicContact OE2-NE2 2.8Å; E281-H330 PolarHBondContact OE2-NE2 3.19Å; F321-H330 WeakPolarHBondContact CA-O 3.47Å; I322-H330 HydrophobicContact CG2-CB 3.75Å; I322-H330 PolarHBondContact N-O 2.81Å; I322-H330 PolarHBondContact O-N 3.04Å; T324-H330 WeakPolarHBondContact CG2-NE2 3.29Å
331	V	69.8	Low	64.9	Low	4 Å²	4	26.5 Å²	26.5	2%	0.024	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	105.2	171.6	179.8	0	0	0	0	107.9	Y319 S320 F321 I351 L404	Y319-V331 HydrophobicContact CD1-CG1 3.92Å; S320-V331 CarbonylContact O-C 3.51Å; S320-V331 WeakPolarHBondContact O-CA 3.31Å; F321-V331 HydrophobicContact CD1-CB 4.14Å; F321-V331 HydrophobicContact CD1-CG1 3.81Å; F321-V331 HydrophobicContact CD1-CG2 3.82Å; F321-V331 HydrophobicContact CE1-CB 4.41Å; F321-V331 HydrophobicContact CE1-CG1 3.64Å; F321-V331 HydrophobicContact CE1-CG2 4.2Å; V331-I351 HydrophobicContact CB-CB 3.97Å; V331-I351 HydrophobicContact CB-CD1 3.41Å; V331-I351 VanDerWaalsContact CB-CD1 3.41Å; V331-I351 HydrophobicContact CB-CG1 4.21Å; V331-I351 HydrophobicContact CB-CG2 4.42Å; V331-I351 HydrophobicContact CG1-CD1 3.56Å; V331-I351 HydrophobicContact CG2-CB 4.13Å; V331-I351 HydrophobicContact CG2-CD1 4.07Å; V331-I351 HydrophobicContact CG2-CG2 4.05Å; V331-L404 HydrophobicContact CG2-CB 4.27Å; V331-L404 HydrophobicContact CG2-CD2 3.85Å
332	A	67.6	Low	63.1	Low	4 Å²	4	31.5 Å²	31.5	3%	0.033	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.1	-179.9	0	0	0	0	0	110.4	I254 Y319 S320 L334	I254-A332 HydrophobicContact CD1-CB 4.16Å; Y319-A332 WeakPolarHBondContact CA-O 3.47Å; S320-A332 PolarHBondContact N-O 2.78Å; S320-A332 PolarHBondContact O-N 2.89Å; A332-L334 HydrophobicContact CB-CD1 4.27Å; A332-L334 HydrophobicContact CB-CG 4.36Å
333	Q	67.5	Low	61	Low	56 Å²	56	39.2 Å²	39.2	26%	0.262	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126.4	164.4	-171	-180	4.5	0	0	109.3	Y318 Y319	Y318-Q333 WeakPolarHBondContact O-CA 3.43Å; Y319-Q333 HydrophobicContact CD1-CB 4.08Å; Y319-Q333 HydrophobicContact CD1-CG 4.42Å; Y319-Q333 HydrophobicContact CE1-CB 3.73Å; Y319-Q333 HydrophobicContact CE1-CG 3.91Å; Y319-Q333 HydrophobicContact CE2-CG 4.14Å; Y319-Q333 PolarHBondContact OH-NE2 2.79Å; Y319-Q333 PolarHBondContact OH-OE1 3.19Å
334	L	67.9	Low	59.1	Low	11 Å²	11	42.1 Å²	42.1	6%	0.058	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.1	-175.8	-67.5	162.9	0	0	0	110.1	H222 I254 S317 Y318 A332	H222-L334 WeakPolarHBondContact CE1-CD1 3.18Å; I254-L334 HydrophobicContact CG2-CD1 4.33Å; S317-L334 CarbonylContact C-O 3.42Å; S317-L334 WeakPolarHBondContact CA-O 3.15Å; S317-L334 WeakPolarHBondContact CB-O 3.36Å; Y318-L334 HydrophobicContact CD1-CB 4.17Å; Y318-L334 HydrophobicContact CD2-CB 4.38Å; Y318-L334 HydrophobicContact CE1-CB 3.6Å; Y318-L334 HydrophobicContact CE2-CB 3.86Å; Y318-L334 HydrophobicContact CE2-CD1 3.71Å; Y318-L334 HydrophobicContact CE2-CG 4.4Å; Y318-L334 VanDerWaalsContact CZ-CB 3.43Å; Y318-L334 PolarHBondContact N-O 3.01Å; Y318-L334 PolarHBondContact O-N 3.48Å; Y318-L334 WeakPolarHBondContact OH-CD1 3.33Å; A332-L334 HydrophobicContact CB-CD1 4.27Å; A332-L334 HydrophobicContact CB-CG 4.36Å
335	T	67.2	Low	57.1	Low	45 Å²	45	47.4 Å²	47.4	28%	0.276	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.3	179.6	36.8	0	0	0	0	109.3	R276 I315	R276-T335 PolarHBondContact NH1-O 3.49Å; R276-T335 PolarHBondContact NH1-OG1 2.88Å; R276-T335 PolarHBondContact NH2-OG1 2.76Å; R276-T335 VanDerWaalsContact NH2-OG1 3.15Å; I315-T335 HydrophobicContact CG2-CG2 3.77Å
336	M	65.9	Low	55.3	Low	7 Å²	7	51.1 Å²	51.1	3%	0.034	29%	0.293	C	S	.	.	S	Bend	trans	-67.9	-36	-178	-77.2	-59.4	-39.1	0	0	113.6	L201 I205 T218 D219 D316 Y318	L201-M336 HydrophobicContact CB-CE 3.76Å; L201-M336 HydrophobicContact CB-SD 3.95Å; L201-M336 HydrophobicContact CD1-CE 4.1Å; L201-M336 HydrophobicContact CD1-SD 3.96Å; L201-M336 HydrophobicContact CG-SD 4.39Å; I205-M336 HydrophobicContact CD1-CB 4.5Å; T218-M336 CarbonylContact C-O 3.57Å; T218-M336 VanDerWaalsContact CA-O 3.27Å; T218-M336 WeakPolarHBondContact CA-O 3.15Å; D219-M336 HydrophobicContact CB-CE 4.33Å; D219-M336 PolarHBondContact N-O 3.26Å; D219-M336 WeakPolarHBondContact O-CE 3.14Å; D316-M336 HydrophobicContact CB-CB 4.2Å; D316-M336 HydrophobicContact CB-CG 3.87Å; D316-M336 WeakPolarHBondContact O-CB 3.46Å; D316-M336 WeakPolarHBondContact O-CG 2.98Å; D316-M336 PolarHBondContact O-N 3.08Å; Y318-M336 HydrophobicContact CD1-CG 4.13Å; Y318-M336 HydrophobicContact CD1-SD 3.71Å; Y318-M336 HydrophobicContact CE1-CG 4.44Å; Y318-M336 HydrophobicContact CE1-SD 3.68Å
337	L	62.9	Low	53.8	Low	28 Å²	28	55.2 Å²	55.2	15%	0.147	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-91	125.9	-176.7	-160.4	94.5	0	0	0	110.6	N214 T218 I315 S339	N214-L337 HydrophobicContact CB-CD1 4.22Å; T218-L337 HydrophobicContact CG2-CD1 4.12Å; I315-L337 HydrophobicContact CG2-CB 4.25Å; L337-S339 PolarHBondContact O-N 3.01Å; L337-S339 VanDerWaalsContact O-N 3.16Å
338	N	56	Low	52.3	Low	20 Å²	20	57.4 Å²	57.4	11%	0.107	32%	0.323	C	S	.	.			trans	-73.3	103.6	163.2	-166	7.5	0	0	0	107.4	Y217 H340	Y217-N338 WeakPolarHBondContact O-CB 3.44Å; Y217-N338 PolarHBondContact O-N 3.34Å; N338-H340 PolarHBondContact O-N 2.93Å
339	S	47.9	Very low	50.7	Low	38 Å²	38	56.3 Å²	56.3	27%	0.266	32%	0.317	S	S	.	.			trans	-61.7	128.4	179.3	59.7	0	0	0	0	109.6	L337 V341	L337-S339 PolarHBondContact O-N 3.01Å; L337-S339 VanDerWaalsContact O-N 3.16Å; S339-V341 PolarHBondContact O-N 2.89Å
340	H	40.4	Very low	49	Very low	97 Å²	97	58 Å²	58	45%	0.449	33%	0.326	S	S	.	.	S	Bend	trans	-53.3	-10.9	168	-76.6	-71.7	0	0	0	114.5	N214 Y217 N338 S342	N214-H340 PolarHBondContact OD1-CD2 2.91Å; N214-H340 PolarHBondContact OD1-NE2 2.81Å; Y217-H340 AromaticContact CD2-CE1 3.42Å; Y217-H340 VanDerWaalsContact CD2-CE1 3.42Å; Y217-H340 WeakPolarHBondContact CD2-CE1 3.33Å; Y217-H340 AromaticContact CD2-NE2 3.66Å; Y217-H340 AromaticContact CE2-CE1 3.19Å; Y217-H340 WeakPolarHBondContact CE2-CE1 3.38Å; Y217-H340 AromaticContact CE2-NE2 3.85Å; Y217-H340 AromaticContact CZ-CE1 3.8Å; N338-H340 PolarHBondContact O-N 2.93Å; H340-S342 PolarHBondContact O-N 2.89Å
341	V	36.8	Very low	47.2	Very low	98 Å²	98	57.7 Å²	57.7	59%	0.594	33%	0.325	S	S	*	.	S	Bend	trans	-73.6	115.4	177.4	-170.9	0	0	0	0	107.8	S339 Q343	S339-V341 PolarHBondContact O-N 2.89Å; V341-Q343 PolarHBondContact O-N 3.32Å
342	S	33.3	Very low	45.6	Very low	108 Å²	108	63.2 Å²	63.2	76%	0.755	35%	0.349	S	S	*	.	S	Bend	trans	-58.4	19.8	178.5	43.9	0	0	0	0	115.9	H340	H340-S342 PolarHBondContact O-N 2.89Å
343	Q	29.8	Very low	44.1	Very low	162 Å²	162	63.6 Å²	63.6	76%	0.757	35%	0.35	S	S	*	.			trans	-147.8	86.6	168.2	-69.6	-172.4	-21	0	0	109.1	V341 S345	V341-Q343 PolarHBondContact O-N 3.32Å; Q343-S345 PolarHBondContact O-N 2.6Å
344	P	34.5	Very low	42.5	Very low	64 Å²	64	63.3 Å²	63.3	42%	0.416	35%	0.35	S	S	.	.			trans	-63.6	106.6	161	25.6	-28.7	0	0	0	106.9	L346	P344-L346 VanDerWaalsContact C-N 3.29Å; P344-L346 PolarHBondContact O-N 3.35Å
345	S	31.7	Very low	40.7	Very low	112 Å²	112	66.9 Å²	66.9	78%	0.783	38%	0.376	S	S	*	.			trans	-59.1	98.5	165.2	54.4	0	0	0	0	107.5	Q343 E347	Q343-S345 PolarHBondContact O-N 2.6Å; S345-E347 PolarHBondContact O-N 2.73Å; S345-E347 VanDerWaalsContact O-N 3.16Å
346	L	34.1	Very low	39.1	Very low	130 Å²	130	74.7 Å²	74.7	68%	0.681	40%	0.402	S	S	*	.			trans	-64.6	102.5	-177.2	-140.6	97.7	0	0	0	109.3	P344 V348	P344-L346 VanDerWaalsContact C-N 3.29Å; P344-L346 PolarHBondContact O-N 3.35Å; L346-V348 HydrophobicContact CD2-CG2 3.89Å; L346-V348 HydrophobicContact CG-CG2 4.47Å
347	E	33.7	Very low	37.5	Very low	108 Å²	108	76.3 Å²	76.3	51%	0.505	41%	0.414	S	S	.	.			trans	-98.4	90.7	164.3	-70.9	-151	159.9	0	0	109.4	K278 S345 N349 K408	K278-E347 PolarHBondContact NZ-O 2.77Å; S345-E347 PolarHBondContact O-N 2.73Å; S345-E347 VanDerWaalsContact O-N 3.16Å; E347-N349 PolarHBondContact O-N 2.86Å; E347-K408 VanDerWaalsContact CD-NZ 3.26Å; E347-K408 IonicContact OE1-NZ 2.82Å; E347-K408 PolarHBondContact OE1-NZ 2.81Å; E347-K408 WeakPolarHBondContact OE2-CE 3.3Å; E347-K408 IonicContact OE2-NZ 2.66Å; E347-K408 PolarHBondContact OE2-NZ 3.03Å
348	V	35.6	Very low	36.1	Very low	48 Å²	48	84 Å²	84	29%	0.291	45%	0.446	S	S	.	.			trans	-82.4	95.9	157.5	-177.3	0	0	0	0	107.1	K278 L346 N350	K278-V348 HydrophobicContact CD-CB 4.41Å; K278-V348 HydrophobicContact CD-CG1 4.45Å; K278-V348 HydrophobicContact CD-CG2 3.56Å; K278-V348 VanDerWaalsContact NZ-CG2 3.27Å; L346-V348 HydrophobicContact CD2-CG2 3.89Å; L346-V348 HydrophobicContact CG-CG2 4.47Å; V348-N350 VanDerWaalsContact C-N 3.32Å; V348-N350 WeakPolarHBondContact CG1-OD1 3.45Å; V348-N350 PolarHBondContact O-N 3.08Å
349	N	37.3	Very low	35	Very low	26 Å²	26	90.9 Å²	90.9	14%	0.139	48%	0.478	C	S	.	.			trans	-80.4	92.6	160.2	-69.1	-16.9	0	0	0	106.2	E347 I351 K408	E347-N349 PolarHBondContact O-N 2.86Å; N349-I351 PolarHBondContact O-N 2.69Å; N349-K408 WeakPolarHBondContact OD1-CE 3.38Å; N349-K408 VanDerWaalsContact OD1-CG 3.29Å; N349-K408 WeakPolarHBondContact OD1-CG 3.32Å
350	N	35.5	Very low	35	Very low	35 Å²	35	89.7 Å²	89.7	19%	0.187	47%	0.468	C	S	.	.			trans	-62.6	105.1	162.1	-76.9	-7.4	0	0	0	106.4	V348 F352	V348-N350 VanDerWaalsContact C-N 3.32Å; V348-N350 WeakPolarHBondContact CG1-OD1 3.45Å; V348-N350 PolarHBondContact O-N 3.08Å; N350-F352 HydrophobicContact CB-CD2 3.65Å; N350-F352 HydrophobicContact CB-CE2 3.29Å; N350-F352 HydrophobicContact CB-CG 4.45Å; N350-F352 HydrophobicContact CB-CZ 3.83Å; N350-F352 PolarHBondContact O-N 2.81Å; N350-F352 VanDerWaalsContact O-N 3.13Å
351	I	36.6	Very low	35.3	Very low	11 Å²	11	86.1 Å²	86.1	6%	0.056	45%	0.453	C	S	.	.			trans	-80.6	92.1	162.5	-71.2	157.9	0	0	0	104.3	V331 N349 I353 V405	V331-I351 HydrophobicContact CB-CB 3.97Å; V331-I351 HydrophobicContact CB-CD1 3.41Å; V331-I351 VanDerWaalsContact CB-CD1 3.41Å; V331-I351 HydrophobicContact CB-CG1 4.21Å; V331-I351 HydrophobicContact CB-CG2 4.42Å; V331-I351 HydrophobicContact CG1-CD1 3.56Å; V331-I351 HydrophobicContact CG2-CB 4.13Å; V331-I351 HydrophobicContact CG2-CD1 4.07Å; V331-I351 HydrophobicContact CG2-CG2 4.05Å; N349-I351 PolarHBondContact O-N 2.69Å; I351-I353 PolarHBondContact O-N 2.87Å; I351-V405 WeakPolarHBondContact CD1-O 3.09Å
352	F	35.8	Very low	35.6	Very low	120 Å²	120	82.7 Å²	82.7	53%	0.526	43%	0.433	S	S	.	.			trans	-66.6	112.8	168.7	-70.3	-85.8	0	0	0	107	N350	N350-F352 HydrophobicContact CB-CD2 3.65Å; N350-F352 HydrophobicContact CB-CE2 3.29Å; N350-F352 HydrophobicContact CB-CG 4.45Å; N350-F352 HydrophobicContact CB-CZ 3.83Å; N350-F352 PolarHBondContact O-N 2.81Å; N350-F352 VanDerWaalsContact O-N 3.13Å
353	I	36.7	Very low	36.6	Very low	12 Å²	12	78.1 Å²	78.1	6%	0.062	40%	0.4	C	S	.	.			trans	-65.6	131.7	154.7	-63.6	-143.8	0	0	0	106.3	I329 I351 S355 V402 S412	I329-I353 HydrophobicContact CB-CD1 3.46Å; I329-I353 VanDerWaalsContact CB-CD1 3.46Å; I329-I353 HydrophobicContact CB-CG1 4Å; I329-I353 HydrophobicContact CD1-CD1 3.43Å; I329-I353 VanDerWaalsContact CD1-CD1 3.43Å; I329-I353 HydrophobicContact CG1-CD1 3.56Å; I329-I353 HydrophobicContact CG1-CG1 4.49Å; I351-I353 PolarHBondContact O-N 2.87Å; I353-S355 PolarHBondContact O-N 2.81Å; I353-V402 HydrophobicContact CD1-CG1 3.89Å; I353-S412 WeakPolarHBondContact CA-OG 3.32Å; I353-S412 WeakPolarHBondContact CG2-OG 3.2Å
354	D	33	Very low	37.5	Very low	50 Å²	50	74 Å²	74	27%	0.267	39%	0.386	S	S	.	.			trans	-40.4	120.7	-170	-148.7	-11.1	0	0	0	113.5	Y356 S357 H411 S412	D354-Y356 PolarHBondContact O-N 3.45Å; D354-S357 PolarHBondContact O-N 3Å; D354-S357 PolarHBondContact O-OG 3.23Å; D354-H411 HydrophobicContact CB-CB 4.31Å; D354-H411 IonicContact OD1-CE1 3.3Å; D354-H411 PolarHBondContact OD1-CE1 3.39Å; D354-H411 IonicContact OD1-CG 3.05Å; D354-H411 IonicContact OD1-ND1 3.23Å; D354-H411 PolarHBondContact OD1-ND1 2.73Å; D354-H411 IonicContact OD2-CG 3.77Å; D354-H411 IonicContact OD2-ND1 2.7Å; D354-S412 PolarHBondContact N-OG 2.96Å
355	S	31	Very low	38.7	Very low	86 Å²	86	73.2 Å²	73.2	60%	0.601	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-3.7	176.3	57.5	0	0	0	0	113.5	I353 S357 F358	I353-S355 PolarHBondContact O-N 2.81Å; S355-S357 PolarHBondContact O-N 2.98Å; S355-F358 VanDerWaalsContact O-CD2 3.26Å; S355-F358 WeakPolarHBondContact O-CD2 3.46Å
356	Y	31.9	Very low	40.1	Very low	208 Å²	208	69.9 Å²	69.9	82%	0.816	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-2.6	174.3	-87.9	-74.7	0	0	0	114.6	D354	D354-Y356 PolarHBondContact O-N 3.45Å
357	S	34.1	Very low	41.9	Very low	41 Å²	41	63.7 Å²	63.7	29%	0.287	32%	0.322	S	S	.	.			trans	-110.5	59	174.1	59.8	0	0	0	0	112.9	D354 S355 H359 I360	D354-S357 PolarHBondContact O-N 3Å; D354-S357 PolarHBondContact O-OG 3.23Å; S355-S357 PolarHBondContact O-N 2.98Å; S357-H359 PolarHBondContact O-N 3Å; S357-I360 PolarHBondContact O-N 2.88Å; S357-I360 VanDerWaalsContact O-N 3.14Å; S357-I360 WeakPolarHBondContact OG-CD1 3.32Å
358	F	31.9	Very low	43.7	Very low	189 Å²	189	60.5 Å²	60.5	83%	0.829	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-1.4	162.4	-89.7	-85.3	0	0	0	114.8	S355	S355-F358 VanDerWaalsContact O-CD2 3.26Å; S355-F358 WeakPolarHBondContact O-CD2 3.46Å
359	H	33.7	Very low	45.4	Very low	165 Å²	165	61.1 Å²	61.1	76%	0.764	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	3.2	-179.9	-71.7	-56.2	0	0	0	114.5	S357 T361	S357-H359 PolarHBondContact O-N 3Å; H359-T361 PolarHBondContact O-N 2.8Å; H359-T361 VanDerWaalsContact O-N 3.13Å; H359-T361 PolarHBondContact O-OG1 3.25Å
360	I	47.2	Very low	47	Very low	14 Å²	14	60.4 Å²	60.4	7%	0.072	31%	0.312	C	S	.	.			trans	-77.8	101.6	172.6	-59.7	179.1	0	0	0	108	S357 M363	S357-I360 PolarHBondContact O-N 2.88Å; S357-I360 VanDerWaalsContact O-N 3.14Å; S357-I360 WeakPolarHBondContact OG-CD1 3.32Å; I360-M363 HydrophobicContact CG2-CE 3.11Å
361	T	47.2	Very low	48.5	Very low	22 Å²	22	62 Å²	62	14%	0.135	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-90.8	164.8	-178.1	24	0	0	0	0	110.4	L289 H359 I395 Y396	L289-T361 HydrophobicContact CD1-CG2 4.25Å; H359-T361 PolarHBondContact O-N 2.8Å; H359-T361 VanDerWaalsContact O-N 3.13Å; H359-T361 PolarHBondContact O-OG1 3.25Å; T361-I395 HydrophobicContact CG2-CD1 4.19Å; T361-I395 WeakPolarHBondContact OG1-CD1 3.18Å; T361-I395 WeakPolarHBondContact OG1-CG1 3Å; T361-Y396 WeakPolarHBondContact OG1-CE2 3.08Å
362	P	43.8	Very low	50.2	Low	26 Å²	26	62.8 Å²	62.8	17%	0.169	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-73.9	133.5	-141.4	20.2	-25.8	0	0	0	116	L289 F325 I395	L289-P362 HydrophobicContact CD2-CB 3.9Å; L289-P362 HydrophobicContact CD2-CG 3.57Å; F325-P362 HydrophobicContact CD1-CB 3.61Å; F325-P362 HydrophobicContact CD1-CG 4.44Å; F325-P362 HydrophobicContact CD2-CB 3.25Å; F325-P362 HydrophobicContact CD2-CG 4.31Å; F325-P362 HydrophobicContact CE1-CB 3.43Å; F325-P362 VanDerWaalsContact CE1-CB 3.43Å; F325-P362 HydrophobicContact CE1-CG 3.79Å; F325-P362 HydrophobicContact CE2-CB 3.09Å; F325-P362 HydrophobicContact CE2-CG 3.67Å; F325-P362 HydrophobicContact CG-CB 3.53Å; F325-P362 HydrophobicContact CZ-CB 3.16Å; F325-P362 HydrophobicContact CZ-CG 3.35Å; F325-P362 VanDerWaalsContact O-CA 3.29Å; F325-P362 WeakPolarHBondContact O-CA 3.5Å; F325-P362 WeakPolarHBondContact O-CB 2.88Å; P362-I395 WeakPolarHBondContact O-CG2 3.32Å
363	M	54.2	Low	51.8	Low	11 Å²	11	57.4 Å²	57.4	5%	0.054	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-89.9	136.2	-175.4	-65.2	168.2	-172.1	0	0	112.4	I360 Q392	I360-M363 HydrophobicContact CG2-CE 3.11Å; M363-Q392 HydrophobicContact CE-CG 3.89Å; M363-Q392 HydrophobicContact SD-CG 4.14Å; M363-Q392 PolarHBondContact SD-NE2 2.96Å
364	T	48.5	Very low	52.9	Low	75 Å²	75	64 Å²	64	46%	0.46	34%	0.342	S	S	.	.	S	Bend	trans	-94.4	-13.1	168.3	50.6	0	0	0	0	112.7
365	L	60.2	Low	53.9	Low	49 Å²	49	69 Å²	69	26%	0.257	37%	0.369	S	S	.	.	S	Bend	trans	-125.2	145.5	-168.2	-63	170.4	0	0	0	112.6	T323 G437 Q438	T323-L365 PolarHBondContact OG1-O 3.11Å; L365-G437 WeakPolarHBondContact CD1-O 3.29Å; L365-Q438 HydrophobicContact CD1-CB 4.37Å; L365-Q438 HydrophobicContact CD1-CG 3.59Å; L365-Q438 HydrophobicContact CD2-CG 3.62Å; L365-Q438 HydrophobicContact CG-CG 4.19Å
366	S	61	Low	54.8	Low	41 Å²	41	70.6 Å²	70.6	29%	0.287	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-72.4	154.1	174	57.1	0	0	0	0	111.2
367	C	71.1	Confident	55.6	Low	1 Å²	1	62.8 Å²	62.8	1%	0.007	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-68	133.8	176	66.3	0	0	0	0	110.7	T323 I329 P369 C390 L391	T323-C367 HydrophobicContact CG2-CB 4.25Å; I329-C367 HydrophobicContact CD1-CB 4.38Å; C367-P369 WeakPolarHBondContact O-CD 3.08Å; C367-C390 HydrophobicContact CB-CB 3.67Å; C367-L391 WeakPolarHBondContact CA-O 3.39Å
368	V	71.9	Confident	55.9	Low	41 Å²	41	70.5 Å²	70.5	25%	0.248	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120.1	-178.2	-179.3	0	0	0	0	109.5	S370 C390 L391 V439 I441	V368-S370 PolarHBondContact O-N 2.9Å; V368-C390 CarbonylContact O-C 3.58Å; V368-C390 WeakPolarHBondContact O-CA 3.23Å; V368-L391 HydrophobicContact CB-CB 4.45Å; V368-L391 PolarHBondContact N-O 3.3Å; V368-L391 PolarHBondContact O-N 2.76Å; V368-V439 HydrophobicContact CG2-CB 4.16Å; V368-I441 HydrophobicContact CG1-CD1 4.03Å; V368-I441 HydrophobicContact CG1-CG1 4.27Å
369	P	70	Confident	56.5	Low	60 Å²	60	66.6 Å²	66.6	39%	0.39	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	131.9	175.4	-24.1	34.1	0	0	0	111.3	C367 I441	C367-P369 WeakPolarHBondContact O-CD 3.08Å; P369-I441 WeakPolarHBondContact O-CD1 3.16Å
370	S	70.9	Confident	56.9	Low	11 Å²	11	66.2 Å²	66.2	8%	0.077	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.2	-170.5	-177.3	0	0	0	0	111.7	V368 C389	V368-S370 PolarHBondContact O-N 2.9Å; S370-C389 PolarHBondContact N-O 3.2Å; S370-C389 CarbonylContact O-C 3.55Å; S370-C389 WeakPolarHBondContact O-CB 3.45Å; S370-C389 PolarHBondContact O-N 2.94Å; S370-C389 VanDerWaalsContact O-O 3.04Å
371	P	68.9	Low	56.7	Low	70 Å²	70	74.8 Å²	74.8	46%	0.455	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-64.4	137.7	173.8	25	-33.3	0	0	0	112.1	P453	P371-P453 HydrophobicContact CG-CG 3.58Å
372	C	72.2	Confident	56.5	Low	26 Å²	26	76.9 Å²	76.9	18%	0.176	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-78.7	146.4	176.9	-65.6	0	0	0	0	113	L374 L387 C389	C372-L374 PolarHBondContact O-N 2.91Å; C372-L387 HydrophobicContact CB-CB 4.28Å; C372-C389 WeakPolarHBondContact CA-SG 3.14Å; C372-C389 HydrophobicContact CB-CB 4.12Å; C372-C389 WeakPolarHBondContact CB-SG 3.32Å; C372-C389 WeakPolarHBondContact SG-CB 3.47Å; C372-C389 PolarHBondContact SG-N 2.99Å; C372-C389 CovalentContact SG-SG 2.03Å; C372-C389 PolarHBondContact SG-SG 2.9Å
373	P	67.9	Low	56.3	Low	7 Å²	7	85 Å²	85	5%	0.045	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-71.5	120.6	175.4	-13.3	29.6	0	0	0	111.2	L401 Y415	P373-L401 HydrophobicContact CG-CD2 3.6Å; P373-Y415 HydrophobicContact CG-CD1 4.28Å; P373-Y415 HydrophobicContact CG-CG 4.27Å
374	L	61.4	Low	55.6	Low	152 Å²	152	90.4 Å²	90.4	80%	0.796	48%	0.477	S	S	*	.	S	Bend	trans	-68.9	-36.9	-179.7	-68.3	164.7	0	0	0	113.2	C372	C372-L374 PolarHBondContact O-N 2.91Å
375	N	52.2	Low	55.5	Low	155 Å²	155	89.5 Å²	89.5	83%	0.829	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-22.6	-166.4	-78.5	-16.1	0	0	0	115.4	M377	N375-M377 PolarHBondContact O-N 2.86Å
376	K	50.7	Low	55.2	Low	118 Å²	118	91.1 Å²	91.1	51%	0.513	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.2	179.2	-79.9	-176.6	173.6	174.7	0	113.2	Y415	K376-Y415 HydrophobicContact CB-CD1 4.48Å; K376-Y415 HydrophobicContact CD-CD1 4.37Å; K376-Y415 PolarHBondContact NZ-O 3.15Å
377	M	48.4	Very low	55.3	Low	45 Å²	45	92.3 Å²	92.3	22%	0.222	49%	0.488	C	S	.	.			trans	-117.1	71.1	-171.4	-71.1	-167.5	145.2	0	0	113.4	N375 L379 L387 L403 Y415	N375-M377 PolarHBondContact O-N 2.86Å; M377-L379 PolarHBondContact O-N 2.85Å; M377-L387 HydrophobicContact SD-CD1 4.04Å; M377-L403 HydrophobicContact CE-CD2 3.41Å; M377-L403 VanDerWaalsContact CE-CD2 3.41Å; M377-Y415 HydrophobicContact CE-CE1 3.88Å; M377-Y415 WeakPolarHBondContact CE-OH 3.34Å; M377-Y415 HydrophobicContact CG-CE1 4.1Å; M377-Y415 HydrophobicContact SD-CE1 4.2Å; M377-Y415 PolarHBondContact SD-OH 2.93Å
378	K	41.1	Very low	55.2	Low	202 Å²	202	93 Å²	93	88%	0.878	49%	0.492	S	S	*	.			trans	-73.2	47.5	153.1	-77.9	-173.3	176.2	179.1	0	111
379	L	43.9	Very low	55.4	Low	107 Å²	107	91 Å²	91	56%	0.56	48%	0.48	S	S	*	.			trans	-93.5	95.5	168.6	-114.1	94.3	0	0	0	108.2	M377 K381 L382	M377-L379 PolarHBondContact O-N 2.85Å; L379-K381 PolarHBondContact O-N 2.86Å; L379-L382 HydrophobicContact CD2-CD1 4.43Å
380	N	41.8	Very low	55.8	Low	158 Å²	158	88.2 Å²	88.2	85%	0.845	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	27.9	179.6	-80.3	-10.7	0	0	0	115.2
381	K	43	Very low	56.2	Low	193 Å²	193	87.7 Å²	87.7	84%	0.839	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	-3.7	-176.4	-85.9	-170.8	176.5	-179.3	0	117.9	L379	L379-K381 PolarHBondContact O-N 2.86Å
382	L	42.6	Very low	56.6	Low	66 Å²	66	84.8 Å²	84.8	35%	0.346	44%	0.439	S	S	.	.			trans	-105.8	74.3	171.1	-77	115.5	0	0	0	110.3	L379 S385 L387 I407	L379-L382 HydrophobicContact CD2-CD1 4.43Å; L382-S385 WeakPolarHBondContact CD2-OG 3Å; L382-L387 HydrophobicContact CD2-CD2 4.48Å; L382-I407 HydrophobicContact CD2-CD1 4.09Å
383	Q	39.9	Very low	56.8	Low	198 Å²	198	84.7 Å²	84.7	93%	0.925	44%	0.437	S	S	*	.	S	Bend	trans	-87.3	5.3	-178.7	-94.2	-171.4	-24.4	0	0	115.1
384	S	40.2	Very low	57	Low	123 Å²	123	84.5 Å²	84.5	86%	0.86	44%	0.436	S	S	*	.	S	Bend	trans	-151.7	3.6	-177.2	69.1	0	0	0	0	117.6
385	S	47.2	Very low	57.3	Low	57 Å²	57	79.4 Å²	79.4	40%	0.399	41%	0.409	S	S	.	.	S	Bend	trans	-96.7	123.7	175	59.2	0	0	0	0	109.8	L382 L387	L382-S385 WeakPolarHBondContact CD2-OG 3Å; S385-L387 PolarHBondContact O-N 3.16Å
386	V	53	Low	58.2	Low	82 Å²	82	77.5 Å²	77.5	50%	0.497	39%	0.391	S	S	.	.			trans	-53.1	109.5	164.5	177.5	0	0	0	0	107.6	N302 V303 T388	N302-V386 HydrophobicContact CB-CG1 4.1Å; V303-V386 HydrophobicContact CG2-CB 4.16Å; V303-V386 HydrophobicContact CG2-CG1 4.17Å; V386-T388 PolarHBondContact O-N 3.03Å
387	L	63.3	Low	59.5	Low	67 Å²	67	72.2 Å²	72.2	35%	0.351	37%	0.369	S	S	.	.			trans	-71.7	125.3	177.2	-65.4	169.7	0	0	0	107.7	C372 M377 L382 S385 L403	C372-L387 HydrophobicContact CB-CB 4.28Å; M377-L387 HydrophobicContact SD-CD1 4.04Å; L382-L387 HydrophobicContact CD2-CD2 4.48Å; S385-L387 PolarHBondContact O-N 3.16Å; L387-L403 HydrophobicContact CB-CD1 4.35Å; L387-L403 HydrophobicContact CD2-CD1 4.16Å
388	T	69.6	Low	61.1	Low	14 Å²	14	70.7 Å²	70.7	9%	0.086	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.6	174.6	-47.8	0	0	0	0	108.5	N300 F321 V386 L404	N300-T388 VanDerWaalsContact ND2-CG2 3.32Å; N300-T388 WeakPolarHBondContact ND2-CG2 3.13Å; N300-T388 PolarHBondContact ND2-OG1 2.84Å; F321-T388 HydrophobicContact CE2-CG2 3.89Å; F321-T388 HydrophobicContact CZ-CG2 3.61Å; V386-T388 PolarHBondContact O-N 3.03Å; T388-L404 HydrophobicContact CG2-CD1 4.24Å; T388-L404 WeakPolarHBondContact O-CA 3.42Å; T388-L404 WeakPolarHBondContact O-CB 3.36Å; T388-L404 PolarHBondContact O-N 2.83Å
389	C	75.5	Confident	63.1	Low	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	156.6	171.3	-69.3	0	0	0	0	109.2	S370 C372 L401 V402 Y415	S370-C389 PolarHBondContact N-O 3.2Å; S370-C389 CarbonylContact O-C 3.55Å; S370-C389 WeakPolarHBondContact O-CB 3.45Å; S370-C389 PolarHBondContact O-N 2.94Å; S370-C389 VanDerWaalsContact O-O 3.04Å; C372-C389 WeakPolarHBondContact CA-SG 3.14Å; C372-C389 HydrophobicContact CB-CB 4.12Å; C372-C389 WeakPolarHBondContact CB-SG 3.32Å; C372-C389 WeakPolarHBondContact SG-CB 3.47Å; C372-C389 PolarHBondContact SG-N 2.99Å; C372-C389 CovalentContact SG-SG 2.03Å; C372-C389 PolarHBondContact SG-SG 2.9Å; C389-L401 HydrophobicContact CB-CD1 3.89Å; C389-L401 HydrophobicContact CB-CG 4.35Å; C389-V402 CarbonylContact C-O 3.56Å; C389-V402 VanDerWaalsContact CA-O 3.25Å; C389-V402 WeakPolarHBondContact CA-O 3.25Å; C389-Y415 WeakPolarHBondContact SG-CE2 3.43Å
390	C	77.2	Confident	64.9	Low	1 Å²	1	57.8 Å²	57.8	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.9	171.3	66.8	0	0	0	0	111.2	C367 V368 V402 L404	C367-C390 HydrophobicContact CB-CB 3.67Å; V368-C390 CarbonylContact O-C 3.58Å; V368-C390 WeakPolarHBondContact O-CA 3.23Å; C390-V402 PolarHBondContact N-O 3.26Å; C390-V402 PolarHBondContact O-N 3.17Å; C390-L404 HydrophobicContact CB-CD1 3.78Å; C390-L404 HydrophobicContact CB-CG 4.38Å
391	L	80.1	Confident	67	Low	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135.5	170.6	-71.9	160.8	0	0	0	109.1	C367 V368 L399 R400 L401 W416 V439 I441 I469	C367-L391 WeakPolarHBondContact CA-O 3.39Å; V368-L391 HydrophobicContact CB-CB 4.45Å; V368-L391 PolarHBondContact N-O 3.3Å; V368-L391 PolarHBondContact O-N 2.76Å; L391-L399 HydrophobicContact CB-CD1 4.21Å; L391-L399 HydrophobicContact CD2-CD1 4.1Å; L391-L399 HydrophobicContact CD2-CD2 4.32Å; L391-L399 HydrophobicContact CD2-CG 4.33Å; L391-R400 WeakPolarHBondContact CA-O 3.35Å; L391-L401 HydrophobicContact CD2-CB 4.29Å; L391-L401 HydrophobicContact CD2-CD1 3.77Å; L391-L401 HydrophobicContact CG-CD1 3.97Å; L391-W416 HydrophobicContact CD2-CH2 3.65Å; L391-W416 HydrophobicContact CD2-CZ2 3.87Å; L391-V439 HydrophobicContact CB-CG1 4.22Å; L391-V439 HydrophobicContact CD1-CG1 3.95Å; L391-I441 HydrophobicContact CD1-CD1 3.95Å; L391-I441 HydrophobicContact CD1-CG1 3.77Å; L391-I469 HydrophobicContact CD1-CD1 3.91Å; L391-I469 HydrophobicContact CD1-CG1 4.29Å
392	Q	77.1	Confident	68.6	Low	9 Å²	9	41.1 Å²	41.1	4%	0.042	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	131.1	-177	-175.3	179.5	28.5	0	0	109.6	I329 M363 L399 R400	I329-Q392 VanDerWaalsContact CD1-CD 3.48Å; I329-Q392 HydrophobicContact CD1-CG 4.48Å; M363-Q392 HydrophobicContact CE-CG 3.89Å; M363-Q392 HydrophobicContact SD-CG 4.14Å; M363-Q392 PolarHBondContact SD-NE2 2.96Å; Q392-L399 CarbonylContact O-C 3.57Å; Q392-L399 WeakPolarHBondContact O-CA 3.26Å; Q392-R400 PolarHBondContact N-O 2.84Å; Q392-R400 PolarHBondContact O-N 3.14Å
393	V	77.6	Confident	70.2	Confident	23 Å²	23	38.2 Å²	38.2	14%	0.139	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134	173.7	-174.3	0	0	0	0	108.3	C398 L399 Q435 V439 Y457	V393-C398 WeakPolarHBondContact CA-O 3Å; V393-L399 HydrophobicContact CG2-CB 4.28Å; V393-L399 HydrophobicContact CG2-CD1 3.38Å; V393-L399 HydrophobicContact CG2-CG 4.42Å; V393-Q435 HydrophobicContact CG1-CG 3.71Å; V393-V439 HydrophobicContact CB-CG2 4.37Å; V393-V439 HydrophobicContact CG2-CG2 3.15Å; V393-Y457 HydrophobicContact CG1-CD2 4.28Å; V393-Y457 HydrophobicContact CG1-CE2 4.16Å; V393-Y457 HydrophobicContact CG2-CD2 4.25Å; V393-Y457 HydrophobicContact CG2-CE2 4.48Å; V393-Y457 HydrophobicContact CG2-CG 4.41Å
394	D	71.9	Confident	71.5	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.021	16%	0.164	C	C	.	.			trans	-92.5	176.4	173.1	67.1	20.6	0	0	0	112.6	Y396 S397 C398 R400 Q435	D394-Y396 PolarHBondContact O-N 3.21Å; D394-Y396 WeakPolarHBondContact OD1-CA 2.93Å; D394-Y396 PolarHBondContact OD1-N 2.81Å; D394-S397 WeakPolarHBondContact O-CA 3.39Å; D394-S397 PolarHBondContact O-N 3.41Å; D394-S397 PolarHBondContact OD1-N 3.44Å; D394-S397 VanDerWaalsContact OD1-N 3.16Å; D394-C398 PolarHBondContact N-O 3.32Å; D394-C398 VanDerWaalsContact N-O 3.09Å; D394-C398 WeakPolarHBondContact OD1-CB 3.06Å; D394-C398 PolarHBondContact OD1-N 2.97Å; D394-C398 WeakPolarHBondContact OD2-CB 3.4Å; D394-R400 IonicContact OD2-CZ 3.77Å; D394-R400 VanDerWaalsContact OD2-CZ 3.23Å; D394-R400 IonicContact OD2-NH1 2.83Å; D394-R400 PolarHBondContact OD2-NH1 3.49Å; D394-R400 IonicContact OD2-NH2 3.68Å; D394-R400 PolarHBondContact OD2-NH2 3.09Å; D394-Q435 WeakPolarHBondContact O-CB 3.45Å
395	I	67.1	Low	72.5	Confident	45 Å²	45	24.5 Å²	24.5	23%	0.231	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.7	-179.8	62.3	155.8	0	0	0	114.2	T361 P362	T361-I395 HydrophobicContact CG2-CD1 4.19Å; T361-I395 WeakPolarHBondContact OG1-CD1 3.18Å; T361-I395 WeakPolarHBondContact OG1-CG1 3Å; P362-I395 WeakPolarHBondContact O-CG2 3.32Å
396	Y	70.7	Confident	72.6	Confident	114 Å²	114	23.6 Å²	23.6	45%	0.447	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	11.6	175.8	-58.5	-61.6	0	0	0	111.7	T361 D394 C398 Y432	T361-Y396 WeakPolarHBondContact OG1-CE2 3.08Å; D394-Y396 PolarHBondContact O-N 3.21Å; D394-Y396 WeakPolarHBondContact OD1-CA 2.93Å; D394-Y396 PolarHBondContact OD1-N 2.81Å; Y396-C398 PolarHBondContact O-N 3.27Å; Y396-Y432 AromaticContact CD1-CD1 3.87Å; Y396-Y432 HydrophobicContact CD1-CD1 3.87Å; Y396-Y432 AromaticContact CD1-CE1 3.57Å; Y396-Y432 HydrophobicContact CD1-CE1 3.57Å; Y396-Y432 HydrophobicContact CE1-CD1 4.15Å; Y396-Y432 AromaticContact CE1-CE1 3.9Å; Y396-Y432 HydrophobicContact CE1-CE1 3.9Å
397	S	77.5	Confident	72.3	Confident	8 Å²	8	23.1 Å²	23.1	6%	0.056	12%	0.118	C	C	.	.			trans	62.6	20.6	-179.1	-46.6	0	0	0	0	114.9	D394 L399 P420 Q435 Y457 T459 P460	D394-S397 WeakPolarHBondContact O-CA 3.39Å; D394-S397 PolarHBondContact O-N 3.41Å; D394-S397 PolarHBondContact OD1-N 3.44Å; D394-S397 VanDerWaalsContact OD1-N 3.16Å; S397-L399 PolarHBondContact O-N 2.97Å; S397-P420 WeakPolarHBondContact O-CD 3.01Å; S397-P420 WeakPolarHBondContact O-CG 3.38Å; S397-Q435 PolarHBondContact OG-OE1 3.48Å; S397-Y457 WeakPolarHBondContact O-CE2 3.47Å; S397-Y457 PolarHBondContact O-OH 3.37Å; S397-T459 VanDerWaalsContact CB-CG2 3.49Å; S397-P460 VanDerWaalsContact OG-CD 3.24Å; S397-P460 WeakPolarHBondContact OG-CD 3.3Å
398	C	81.9	Confident	71.4	Confident	13 Å²	13	25.9 Å²	25.9	9%	0.088	13%	0.127	C	C	.	.			trans	-77.9	121.6	170.4	-66.2	0	0	0	0	110.1	V393 D394 Y396 Y418 C419	V393-C398 WeakPolarHBondContact CA-O 3Å; D394-C398 PolarHBondContact N-O 3.32Å; D394-C398 VanDerWaalsContact N-O 3.09Å; D394-C398 WeakPolarHBondContact OD1-CB 3.06Å; D394-C398 PolarHBondContact OD1-N 2.97Å; D394-C398 WeakPolarHBondContact OD2-CB 3.4Å; Y396-C398 PolarHBondContact O-N 3.27Å; C398-Y418 CarbonylContact C-O 3.48Å; C398-Y418 VanDerWaalsContact CA-O 3.29Å; C398-Y418 WeakPolarHBondContact CA-O 2.98Å; C398-C419 HydrophobicContact CB-CB 4.1Å; C398-C419 WeakPolarHBondContact CB-SG 3.45Å; C398-C419 WeakPolarHBondContact SG-CB 3.35Å; C398-C419 CovalentContact SG-SG 2.04Å; C398-C419 PolarHBondContact SG-SG 3.23Å
399	L	85	Confident	70.1	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.4	175.4	-179	71	0	0	0	111.1	L391 Q392 V393 S397 W416 T417 Y418 V439 S455 Y457 V467	L391-L399 HydrophobicContact CB-CD1 4.21Å; L391-L399 HydrophobicContact CD2-CD1 4.1Å; L391-L399 HydrophobicContact CD2-CD2 4.32Å; L391-L399 HydrophobicContact CD2-CG 4.33Å; Q392-L399 CarbonylContact O-C 3.57Å; Q392-L399 WeakPolarHBondContact O-CA 3.26Å; V393-L399 HydrophobicContact CG2-CB 4.28Å; V393-L399 HydrophobicContact CG2-CD1 3.38Å; V393-L399 HydrophobicContact CG2-CG 4.42Å; S397-L399 PolarHBondContact O-N 2.97Å; L399-W416 HydrophobicContact CB-CZ3 4.39Å; L399-W416 HydrophobicContact CD2-CH2 3.7Å; L399-W416 HydrophobicContact CD2-CZ3 3.94Å; L399-W416 HydrophobicContact CG-CH2 3.9Å; L399-W416 HydrophobicContact CG-CZ3 3.85Å; L399-T417 CarbonylContact O-C 3.58Å; L399-T417 WeakPolarHBondContact O-CA 3.42Å; L399-Y418 PolarHBondContact N-O 3.44Å; L399-Y418 PolarHBondContact O-N 2.84Å; L399-V439 HydrophobicContact CD1-CG1 4.34Å; L399-V439 HydrophobicContact CD1-CG2 3.79Å; L399-S455 WeakPolarHBondContact CD2-OG 3.5Å; L399-Y457 HydrophobicContact CB-CE1 3.79Å; L399-Y457 HydrophobicContact CD2-CD1 4.08Å; L399-Y457 HydrophobicContact CD2-CE1 3.75Å; L399-Y457 HydrophobicContact CG-CE1 4.29Å; L399-V467 HydrophobicContact CD2-CB 4.02Å; L399-V467 HydrophobicContact CD2-CG2 4Å
400	R	81.6	Confident	68.4	Low	37 Å²	37	41.5 Å²	41.5	14%	0.14	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.8	177.7	-56	-172.3	179.9	84.8	5.4	110.3	L391 Q392 D394 V402 T417	L391-R400 WeakPolarHBondContact CA-O 3.35Å; Q392-R400 PolarHBondContact N-O 2.84Å; Q392-R400 PolarHBondContact O-N 3.14Å; D394-R400 IonicContact OD2-CZ 3.77Å; D394-R400 VanDerWaalsContact OD2-CZ 3.23Å; D394-R400 IonicContact OD2-NH1 2.83Å; D394-R400 PolarHBondContact OD2-NH1 3.49Å; D394-R400 IonicContact OD2-NH2 3.68Å; D394-R400 PolarHBondContact OD2-NH2 3.09Å; R400-V402 HydrophobicContact CB-CG2 4.36Å; R400-T417 HydrophobicContact CG-CG2 3.85Å; R400-T417 WeakPolarHBondContact CG-OG1 3.32Å
401	L	84.7	Confident	67.1	Low	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.1	166.8	-175	72	0	0	0	109.2	P373 C389 L391 Y415 W416 I469	P373-L401 HydrophobicContact CG-CD2 3.6Å; C389-L401 HydrophobicContact CB-CD1 3.89Å; C389-L401 HydrophobicContact CB-CG 4.35Å; L391-L401 HydrophobicContact CD2-CB 4.29Å; L391-L401 HydrophobicContact CD2-CD1 3.77Å; L391-L401 HydrophobicContact CG-CD1 3.97Å; L401-Y415 HydrophobicContact CD2-CD2 4.16Å; L401-Y415 HydrophobicContact CD2-CG 4.44Å; L401-Y415 HydrophobicContact CG-CD2 4.21Å; L401-Y415 PolarHBondContact O-N 2.76Å; L401-W416 HydrophobicContact CB-CD2 3.87Å; L401-W416 HydrophobicContact CB-CE3 4.45Å; L401-W416 HydrophobicContact CB-CG 4.36Å; L401-W416 HydrophobicContact CB-CH2 4.1Å; L401-W416 HydrophobicContact CB-CZ2 3.46Å; L401-W416 VanDerWaalsContact CB-CZ2 3.46Å; L401-W416 HydrophobicContact CD2-CZ2 4.16Å; L401-W416 VanDerWaalsContact CD2-NE1 3.33Å; L401-W416 HydrophobicContact CG-CZ2 4.31Å; L401-W416 PolarHBondContact N-O 2.91Å; L401-I469 HydrophobicContact CD1-CG2 4.26Å; L401-I469 HydrophobicContact CD2-CG2 3.96Å; L401-I469 WeakPolarHBondContact CD2-O 3.39Å
402	V	77	Confident	66	Low	2 Å²	2	47 Å²	47	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.3	-175.2	-174.2	0	0	0	0	109.2	I353 C389 C390 R400 L404	I353-V402 HydrophobicContact CD1-CG1 3.89Å; C389-V402 CarbonylContact C-O 3.56Å; C389-V402 VanDerWaalsContact CA-O 3.25Å; C389-V402 WeakPolarHBondContact CA-O 3.25Å; C390-V402 PolarHBondContact N-O 3.26Å; C390-V402 PolarHBondContact O-N 3.17Å; R400-V402 HydrophobicContact CB-CG2 4.36Å; V402-L404 HydrophobicContact CG1-CD2 4.42Å
403	L	75.5	Confident	65.5	Low	4 Å²	4	50.7 Å²	50.7	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	124.2	168.1	-175.1	62.2	0	0	0	110.4	M377 L387 V405 Q413 Y415	M377-L403 HydrophobicContact CE-CD2 3.41Å; M377-L403 VanDerWaalsContact CE-CD2 3.41Å; L387-L403 HydrophobicContact CB-CD1 4.35Å; L387-L403 HydrophobicContact CD2-CD1 4.16Å; L403-V405 HydrophobicContact CB-CG2 4.44Å; L403-V405 HydrophobicContact CD1-CG2 4.34Å; L403-V405 HydrophobicContact CD2-CG2 3.25Å; L403-V405 HydrophobicContact CG-CG2 3.41Å; L403-V405 VanDerWaalsContact CG-CG2 3.41Å; L403-Q413 HydrophobicContact CB-CB 4.2Å; L403-Q413 WeakPolarHBondContact CB-O 3.2Å; L403-Q413 HydrophobicContact CD2-CB 4.37Å; L403-Q413 PolarHBondContact N-O 3.08Å; L403-Y415 HydrophobicContact CB-CD2 4.14Å; L403-Y415 HydrophobicContact CB-CE2 3.5Å; L403-Y415 VanDerWaalsContact CB-CE2 3.5Å; L403-Y415 HydrophobicContact CD1-CE2 3.92Å; L403-Y415 HydrophobicContact CD2-CE2 4.41Å; L403-Y415 HydrophobicContact CG-CE2 4.11Å
404	L	67.4	Low	65.2	Low	10 Å²	10	53.5 Å²	53.5	5%	0.052	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	99.5	173.1	-55.2	175.7	0	0	0	108.1	F321 I329 V331 T388 C390 V402	F321-L404 HydrophobicContact CD1-CD1 3.59Å; F321-L404 HydrophobicContact CD2-CD1 4.25Å; F321-L404 HydrophobicContact CE1-CB 4.16Å; F321-L404 HydrophobicContact CE1-CD1 3.59Å; F321-L404 HydrophobicContact CE1-CG 4.47Å; F321-L404 HydrophobicContact CE2-CD1 4.25Å; F321-L404 HydrophobicContact CG-CD1 3.91Å; F321-L404 HydrophobicContact CZ-CD1 3.95Å; I329-L404 HydrophobicContact CG2-CD2 4.25Å; V331-L404 HydrophobicContact CG2-CB 4.27Å; V331-L404 HydrophobicContact CG2-CD2 3.85Å; T388-L404 HydrophobicContact CG2-CD1 4.24Å; T388-L404 WeakPolarHBondContact O-CA 3.42Å; T388-L404 WeakPolarHBondContact O-CB 3.36Å; T388-L404 PolarHBondContact O-N 2.83Å; C390-L404 HydrophobicContact CB-CD1 3.78Å; C390-L404 HydrophobicContact CB-CG 4.38Å; V402-L404 HydrophobicContact CG1-CD2 4.42Å
405	V	61.8	Low	65.4	Low	24 Å²	24	54.4 Å²	54.4	15%	0.145	25%	0.251	C	S	.	.			trans	-103.7	128.3	177.4	-167.5	0	0	0	0	109.9	I351 L403 I407	I351-V405 WeakPolarHBondContact CD1-O 3.09Å; L403-V405 HydrophobicContact CB-CG2 4.44Å; L403-V405 HydrophobicContact CD1-CG2 4.34Å; L403-V405 HydrophobicContact CD2-CG2 3.25Å; L403-V405 HydrophobicContact CG-CG2 3.41Å; L403-V405 VanDerWaalsContact CG-CG2 3.41Å; V405-I407 HydrophobicContact CG1-CB 3.93Å; V405-I407 HydrophobicContact CG1-CD1 3.6Å; V405-I407 HydrophobicContact CG1-CG1 3.62Å; V405-I407 PolarHBondContact O-N 3.17Å
406	S	49.9	Very low	66.2	Low	38 Å²	38	53.1 Å²	53.1	27%	0.266	24%	0.244	S	C	.	.			trans	-63.4	0.8	176.1	-178.3	0	0	0	0	115.6	Y319	Y319-S406 WeakPolarHBondContact CE1-OG 3.43Å; Y319-S406 WeakPolarHBondContact OH-CB 3.48Å; Y319-S406 PolarHBondContact OH-OG 3.09Å
407	I	45.9	Very low	66.8	Low	72 Å²	72	50.9 Å²	50.9	37%	0.369	24%	0.242	S	C	.	.			trans	-90.4	128.3	-163.6	-61.8	168.3	0	0	0	110.9	L382 V405 K409 Y410	L382-I407 HydrophobicContact CD2-CD1 4.09Å; V405-I407 HydrophobicContact CG1-CB 3.93Å; V405-I407 HydrophobicContact CG1-CD1 3.6Å; V405-I407 HydrophobicContact CG1-CG1 3.62Å; V405-I407 PolarHBondContact O-N 3.17Å; I407-K409 PolarHBondContact O-N 2.7Å; I407-Y410 HydrophobicContact CG2-CD2 4.01Å
408	K	44.2	Very low	67.2	Low	125 Å²	125	52.1 Å²	52.1	54%	0.543	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.7	-10.7	-178.9	-73.6	-176.9	176.7	178.8	0	118.5	E347 N349	E347-K408 VanDerWaalsContact CD-NZ 3.26Å; E347-K408 IonicContact OE1-NZ 2.82Å; E347-K408 PolarHBondContact OE1-NZ 2.81Å; E347-K408 WeakPolarHBondContact OE2-CE 3.3Å; E347-K408 IonicContact OE2-NZ 2.66Å; E347-K408 PolarHBondContact OE2-NZ 3.03Å; N349-K408 WeakPolarHBondContact OD1-CE 3.38Å; N349-K408 VanDerWaalsContact OD1-CG 3.29Å; N349-K408 WeakPolarHBondContact OD1-CG 3.32Å
409	K	42.5	Very low	67.4	Low	184 Å²	184	54.6 Å²	54.6	80%	0.8	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147	2.7	-164.5	-94.2	-169.3	177.1	-175.8	0	117.5	I407	I407-K409 PolarHBondContact O-N 2.7Å
410	Y	40.3	Very low	67	Low	158 Å²	158	55.6 Å²	55.6	62%	0.62	27%	0.268	S	S	*	.			trans	-111.3	124.3	179	-73	-73.5	0	0	0	110.8	I407	I407-Y410 HydrophobicContact CG2-CD2 4.01Å
411	H	49.2	Very low	66.4	Low	105 Å²	105	58.6 Å²	58.6	49%	0.486	30%	0.302	S	S	.	.			trans	-44.8	140.7	166.4	-59.8	-94.3	0	0	0	109.6	D354 Q413	D354-H411 HydrophobicContact CB-CB 4.31Å; D354-H411 IonicContact OD1-CE1 3.3Å; D354-H411 PolarHBondContact OD1-CE1 3.39Å; D354-H411 IonicContact OD1-CG 3.05Å; D354-H411 IonicContact OD1-ND1 3.23Å; D354-H411 PolarHBondContact OD1-ND1 2.73Å; D354-H411 IonicContact OD2-CG 3.77Å; D354-H411 IonicContact OD2-ND1 2.7Å; H411-Q413 PolarHBondContact O-N 2.92Å
412	S	56.6	Low	64.9	Low	12 Å²	12	62.9 Å²	62.9	8%	0.084	32%	0.324	C	S	.	.			trans	-46.3	125	166.8	53.8	0	0	0	0	110.3	I353 D354 I414	I353-S412 WeakPolarHBondContact CA-OG 3.32Å; I353-S412 WeakPolarHBondContact CG2-OG 3.2Å; D354-S412 PolarHBondContact N-OG 2.96Å; S412-I414 PolarHBondContact O-N 3.23Å
413	Q	66.3	Low	63.5	Low	86 Å²	86	66.3 Å²	66.3	40%	0.402	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	110.4	174.4	-70.8	-176.5	-4.7	0	0	108.7	L403 H411 Y415	L403-Q413 HydrophobicContact CB-CB 4.2Å; L403-Q413 WeakPolarHBondContact CB-O 3.2Å; L403-Q413 HydrophobicContact CD2-CB 4.37Å; L403-Q413 PolarHBondContact N-O 3.08Å; H411-Q413 PolarHBondContact O-N 2.92Å; Q413-Y415 PolarHBondContact O-N 2.83Å
414	I	72.7	Confident	61.7	Low	82 Å²	82	74 Å²	74	42%	0.421	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	116.4	167.4	-59.8	173	0	0	0	107.2	S412 W416	S412-I414 PolarHBondContact O-N 3.23Å; I414-W416 VanDerWaalsContact CG2-O 3.29Å; I414-W416 WeakPolarHBondContact CG2-O 3.22Å
415	Y	75.9	Confident	60.5	Low	23 Å²	23	78.2 Å²	78.2	9%	0.09	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-36.4	177.8	-80.9	-75.3	0	0	0	112.8	P373 K376 M377 C389 L401 L403 Q413	P373-Y415 HydrophobicContact CG-CD1 4.28Å; P373-Y415 HydrophobicContact CG-CG 4.27Å; K376-Y415 HydrophobicContact CB-CD1 4.48Å; K376-Y415 HydrophobicContact CD-CD1 4.37Å; K376-Y415 PolarHBondContact NZ-O 3.15Å; M377-Y415 HydrophobicContact CE-CE1 3.88Å; M377-Y415 WeakPolarHBondContact CE-OH 3.34Å; M377-Y415 HydrophobicContact CG-CE1 4.1Å; M377-Y415 HydrophobicContact SD-CE1 4.2Å; M377-Y415 PolarHBondContact SD-OH 2.93Å; C389-Y415 WeakPolarHBondContact SG-CE2 3.43Å; L401-Y415 HydrophobicContact CD2-CD2 4.16Å; L401-Y415 HydrophobicContact CD2-CG 4.44Å; L401-Y415 HydrophobicContact CG-CD2 4.21Å; L401-Y415 PolarHBondContact O-N 2.76Å; L403-Y415 HydrophobicContact CB-CD2 4.14Å; L403-Y415 HydrophobicContact CB-CE2 3.5Å; L403-Y415 VanDerWaalsContact CB-CE2 3.5Å; L403-Y415 HydrophobicContact CD1-CE2 3.92Å; L403-Y415 HydrophobicContact CD2-CE2 4.41Å; L403-Y415 HydrophobicContact CG-CE2 4.11Å; Q413-Y415 PolarHBondContact O-N 2.83Å
416	W	83.8	Confident	59.4	Low	19 Å²	19	82.6 Å²	82.6	7%	0.072	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	160	177.6	51.5	-103.5	0	0	0	110.2	L391 L399 L401 I414 V467 I469 G472	L391-W416 HydrophobicContact CD2-CH2 3.65Å; L391-W416 HydrophobicContact CD2-CZ2 3.87Å; L399-W416 HydrophobicContact CB-CZ3 4.39Å; L399-W416 HydrophobicContact CD2-CH2 3.7Å; L399-W416 HydrophobicContact CD2-CZ3 3.94Å; L399-W416 HydrophobicContact CG-CH2 3.9Å; L399-W416 HydrophobicContact CG-CZ3 3.85Å; L401-W416 HydrophobicContact CB-CD2 3.87Å; L401-W416 HydrophobicContact CB-CE3 4.45Å; L401-W416 HydrophobicContact CB-CG 4.36Å; L401-W416 HydrophobicContact CB-CH2 4.1Å; L401-W416 HydrophobicContact CB-CZ2 3.46Å; L401-W416 VanDerWaalsContact CB-CZ2 3.46Å; L401-W416 HydrophobicContact CD2-CZ2 4.16Å; L401-W416 VanDerWaalsContact CD2-NE1 3.33Å; L401-W416 HydrophobicContact CG-CZ2 4.31Å; L401-W416 PolarHBondContact N-O 2.91Å; I414-W416 VanDerWaalsContact CG2-O 3.29Å; I414-W416 WeakPolarHBondContact CG2-O 3.22Å; W416-V467 HydrophobicContact CH2-CG1 3.85Å; W416-V467 HydrophobicContact CZ2-CG1 4.41Å; W416-V467 HydrophobicContact CZ3-CG1 3.91Å; W416-I469 PolarHBondContact NE1-O 3.14Å; W416-G472 VanDerWaalsContact CG-CA 3.47Å
417	T	83.9	Confident	58.7	Low	66 Å²	66	90.2 Å²	90.2	41%	0.405	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.2	171.3	-63.8	0	0	0	0	107.7	L399 R400	L399-T417 CarbonylContact O-C 3.58Å; L399-T417 WeakPolarHBondContact O-CA 3.42Å; R400-T417 HydrophobicContact CG-CG2 3.85Å; R400-T417 WeakPolarHBondContact CG-OG1 3.32Å
418	Y	86	Confident	58.3	Low	34 Å²	34	91.9 Å²	91.9	13%	0.133	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.6	173	173.5	-93.5	0	0	0	107.9	C398 L399 P420 Y457 H465 V467	C398-Y418 CarbonylContact C-O 3.48Å; C398-Y418 VanDerWaalsContact CA-O 3.29Å; C398-Y418 WeakPolarHBondContact CA-O 2.98Å; L399-Y418 PolarHBondContact N-O 3.44Å; L399-Y418 PolarHBondContact O-N 2.84Å; Y418-P420 HydrophobicContact CE1-CG 4.32Å; Y418-Y457 HydrophobicContact CD1-CE1 4.44Å; Y418-Y457 WeakPolarHBondContact CD1-OH 3.46Å; Y418-Y457 WeakPolarHBondContact CE1-OH 3.35Å; Y418-H465 HydrophobicContact CE1-CB 4.11Å; Y418-H465 AromaticContact CE1-ND1 3.49Å; Y418-H465 WeakPolarHBondContact CE1-ND1 3.03Å; Y418-H465 AromaticContact CZ-ND1 3.61Å; Y418-H465 PolarHBondContact OH-ND1 3.07Å; Y418-V467 HydrophobicContact CD1-CG2 3.37Å; Y418-V467 HydrophobicContact CD2-CG1 4.47Å; Y418-V467 HydrophobicContact CD2-CG2 3.93Å; Y418-V467 HydrophobicContact CE1-CG2 3.65Å; Y418-V467 HydrophobicContact CE2-CG2 4.18Å; Y418-V467 HydrophobicContact CG-CG1 4.24Å; Y418-V467 HydrophobicContact CG-CG2 3.51Å
419	C	84.6	Confident	57.9	Low	65 Å²	65	92.3 Å²	92.3	44%	0.439	50%	0.502	S	S	.	.			trans	-112.1	127.6	172.8	-69.6	0	0	0	0	108.7	C398 A421	C398-C419 HydrophobicContact CB-CB 4.1Å; C398-C419 WeakPolarHBondContact CB-SG 3.45Å; C398-C419 WeakPolarHBondContact SG-CB 3.35Å; C398-C419 CovalentContact SG-SG 2.04Å; C398-C419 PolarHBondContact SG-SG 3.23Å; C419-A421 PolarHBondContact O-N 2.83Å
420	P	77.1	Confident	57.8	Low	21 Å²	21	88.2 Å²	88.2	14%	0.136	49%	0.489	C	S	.	.			trans	-52.9	128.1	168.5	-25.7	35.1	0	0	0	110.4	S397 Y418 I422 T459	S397-P420 WeakPolarHBondContact O-CD 3.01Å; S397-P420 WeakPolarHBondContact O-CG 3.38Å; Y418-P420 HydrophobicContact CE1-CG 4.32Å; P420-I422 PolarHBondContact O-N 2.72Å; P420-T459 HydrophobicContact CG-CG2 3.95Å
421	A	69	Low	57.8	Low	101 Å²	101	89.4 Å²	89.4	84%	0.835	50%	0.5	S	S	*	.			trans	-75.4	112	171.8	0	0	0	0	0	108.3	C419 S423	C419-A421 PolarHBondContact O-N 2.83Å; A421-S423 PolarHBondContact O-N 3.39Å; A421-S423 VanDerWaalsContact O-N 3.07Å
422	I	53.3	Low	57.6	Low	90 Å²	90	91.5 Å²	91.5	46%	0.462	51%	0.505	S	S	.	.			trans	-64.2	111.2	171	-54	168.3	0	0	0	106.3	P420 N424 L430	P420-I422 PolarHBondContact O-N 2.72Å; I422-N424 PolarHBondContact O-N 3.03Å; I422-L430 HydrophobicContact CG2-CD1 4.49Å
423	S	48.1	Very low	57.5	Low	73 Å²	73	92 Å²	92	51%	0.51	51%	0.512	S	S	.	.			trans	-60.8	116.4	167.4	54.5	0	0	0	0	107	A421 T425	A421-S423 PolarHBondContact O-N 3.39Å; A421-S423 VanDerWaalsContact O-N 3.07Å; S423-T425 PolarHBondContact O-N 2.99Å; S423-T425 PolarHBondContact O-OG1 2.9Å
424	N	37.7	Very low	57.1	Low	167 Å²	167	94.6 Å²	94.6	89%	0.893	52%	0.524	S	S	*	.			trans	-65.1	63.4	171.4	-90.4	-13.9	0	0	0	110.2	I422 T426	I422-N424 PolarHBondContact O-N 3.03Å; N424-T426 PolarHBondContact O-N 3.2Å
425	T	42.6	Very low	56.5	Low	97 Å²	97	91.2 Å²	91.2	60%	0.595	51%	0.506	S	S	*	.			trans	-87.4	92.7	169.8	45.1	0	0	0	0	107.2	S423	S423-T425 PolarHBondContact O-N 2.99Å; S423-T425 PolarHBondContact O-OG1 2.9Å
426	T	38.3	Very low	55.6	Low	117 Å²	117	92 Å²	92	72%	0.718	51%	0.514	S	S	*	.			trans	50.2	92.4	157.4	53.4	0	0	0	0	117.1	N424 T428	N424-T426 PolarHBondContact O-N 3.2Å; T426-T428 PolarHBondContact O-N 3.19Å
427	M	34.2	Very low	54.4	Low	197 Å²	197	91.3 Å²	91.3	97%	0.97	51%	0.512	S	S	*	.			trans	32.7	27.6	136.2	-85.9	-79.7	-67.3	0	0	120.4
428	T	38.5	Very low	53.5	Low	107 Å²	107	91.7 Å²	91.7	66%	0.656	51%	0.51	S	S	*	.			trans	-95.8	122.3	158.5	52.1	0	0	0	0	105.9	T426 L430	T426-T428 PolarHBondContact O-N 3.19Å; T428-L430 PolarHBondContact O-N 2.95Å
429	T	34.6	Very low	52.9	Low	134 Å²	134	90.7 Å²	90.7	82%	0.822	51%	0.507	S	S	*	.			trans	-35.2	98.6	170	46.6	0	0	0	0	109.9	E431	T429-E431 VanDerWaalsContact C-N 3.31Å; T429-E431 PolarHBondContact O-N 2.96Å
430	L	41.2	Very low	52.5	Low	99 Å²	99	88.7 Å²	88.7	52%	0.518	49%	0.492	S	S	.	.			trans	-63.9	103.4	170.8	-107.1	105.5	0	0	0	104.6	I422 T428 Y432	I422-L430 HydrophobicContact CG2-CD1 4.49Å; T428-L430 PolarHBondContact O-N 2.95Å; L430-Y432 VanDerWaalsContact C-N 3.25Å; L430-Y432 PolarHBondContact O-N 2.02Å
431	E	41	Very low	52.3	Low	183 Å²	183	90.1 Å²	90.1	86%	0.855	50%	0.498	S	S	*	.			trans	-57.6	103	154.9	-72	-178.4	165.7	0	0	104.6	T429 G433	T429-E431 VanDerWaalsContact C-N 3.31Å; T429-E431 PolarHBondContact O-N 2.96Å; E431-G433 VanDerWaalsContact C-N 3.31Å; E431-G433 PolarHBondContact O-N 2.93Å
432	Y	44.5	Very low	52.6	Low	148 Å²	148	85.3 Å²	85.3	58%	0.58	46%	0.458	S	S	*	.			trans	-58.6	102.4	168.7	-82.5	-89.1	0	0	0	106	Y396 L430	Y396-Y432 AromaticContact CD1-CD1 3.87Å; Y396-Y432 HydrophobicContact CD1-CD1 3.87Å; Y396-Y432 AromaticContact CD1-CE1 3.57Å; Y396-Y432 HydrophobicContact CD1-CE1 3.57Å; Y396-Y432 HydrophobicContact CE1-CD1 4.15Å; Y396-Y432 AromaticContact CE1-CE1 3.9Å; Y396-Y432 HydrophobicContact CE1-CE1 3.9Å; L430-Y432 VanDerWaalsContact C-N 3.25Å; L430-Y432 PolarHBondContact O-N 2.02Å
433	G	53.4	Low	53.3	Low	23 Å²	23	84 Å²	84	24%	0.237	46%	0.456	C	S	.	.			trans	-61.6	136.6	165.1	0	0	0	0	0	107.8	E431 Q435 P460	E431-G433 VanDerWaalsContact C-N 3.31Å; E431-G433 PolarHBondContact O-N 2.93Å; G433-Q435 PolarHBondContact O-N 3Å; G433-P460 WeakPolarHBondContact O-CG 3.06Å
434	E	57.8	Low	54	Low	141 Å²	141	80.9 Å²	80.9	66%	0.659	44%	0.435	S	S	*	.			trans	-65.7	136	175.4	-69.3	-176.2	163	0	0	109.5	T436	E434-T436 PolarHBondContact O-N 3.05Å
435	Q	61.9	Low	55.1	Low	10 Å²	10	74.2 Å²	74.2	5%	0.047	40%	0.401	C	S	.	.			trans	-62.1	110.7	172.9	178	67.9	26.2	0	0	110	V393 D394 S397 G433 G437 T458	V393-Q435 HydrophobicContact CG1-CG 3.71Å; D394-Q435 WeakPolarHBondContact O-CB 3.45Å; S397-Q435 PolarHBondContact OG-OE1 3.48Å; G433-Q435 PolarHBondContact O-N 3Å; Q435-G437 PolarHBondContact NE2-O 3.35Å; Q435-T458 PolarHBondContact NE2-O 3.26Å; Q435-T458 PolarHBondContact OE1-O 2.65Å
436	T	56.6	Low	55.5	Low	40 Å²	40	73.3 Å²	73.3	25%	0.245	39%	0.39	C	S	.	.			trans	-112.4	-14.1	176.6	53.3	0	0	0	0	113.4	E434 L492	E434-T436 PolarHBondContact O-N 3.05Å; T436-L492 PolarHBondContact OG1-O 3.5Å
437	G	57.6	Low	56	Low	4 Å²	4	73.3 Å²	73.3	4%	0.041	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-72.3	132.6	-179.1	0	0	0	0	0	112.6	L365 Q435	L365-G437 WeakPolarHBondContact CD1-O 3.29Å; Q435-G437 PolarHBondContact NE2-O 3.35Å
438	Q	66	Low	56.6	Low	74 Å²	74	72 Å²	72	35%	0.346	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-83.1	152.9	172.9	-74.7	-178.6	1.4	0	0	111.9	L365	L365-Q438 HydrophobicContact CD1-CB 4.37Å; L365-Q438 HydrophobicContact CD1-CG 3.59Å; L365-Q438 HydrophobicContact CD2-CG 3.62Å; L365-Q438 HydrophobicContact CG-CG 4.19Å
439	V	73.7	Confident	57.2	Low	14 Å²	14	74 Å²	74	9%	0.085	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-85	135.1	174.6	-174.4	0	0	0	0	110.3	V368 L391 V393 L399	V368-V439 HydrophobicContact CG2-CB 4.16Å; L391-V439 HydrophobicContact CB-CG1 4.22Å; L391-V439 HydrophobicContact CD1-CG1 3.95Å; V393-V439 HydrophobicContact CB-CG2 4.37Å; V393-V439 HydrophobicContact CG2-CG2 3.15Å; L399-V439 HydrophobicContact CD1-CG1 4.34Å; L399-V439 HydrophobicContact CD1-CG2 3.79Å
440	I	74.4	Confident	57.9	Low	23 Å²	23	75 Å²	75	12%	0.118	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.3	178.3	-50.3	160.7	0	0	0	108	V442 S455 V456 S496 L499 L509	I440-V442 HydrophobicContact CG2-CG2 4.35Å; I440-S455 WeakPolarHBondContact O-CA 3.36Å; I440-V456 PolarHBondContact N-O 3.34Å; I440-V456 PolarHBondContact O-N 2.72Å; I440-S496 WeakPolarHBondContact CD1-O 3.26Å; I440-S496 WeakPolarHBondContact CG1-O 3.42Å; I440-L499 HydrophobicContact CG2-CB 4.21Å; I440-L499 HydrophobicContact CG2-CD2 4.25Å; I440-L509 HydrophobicContact CD1-CD1 3.28Å; I440-L509 HydrophobicContact CD1-CD2 3.76Å; I440-L509 HydrophobicContact CD1-CG 4.14Å
441	I	73.6	Confident	58.9	Low	50 Å²	50	72.6 Å²	72.6	26%	0.256	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.4	174	-59	178.2	0	0	0	108.9	V368 P369 L391 P453 W454 I469	V368-I441 HydrophobicContact CG1-CD1 4.03Å; V368-I441 HydrophobicContact CG1-CG1 4.27Å; P369-I441 WeakPolarHBondContact O-CD1 3.16Å; L391-I441 HydrophobicContact CD1-CD1 3.95Å; L391-I441 HydrophobicContact CD1-CG1 3.77Å; I441-P453 HydrophobicContact CG2-CB 4.17Å; I441-W454 WeakPolarHBondContact CA-O 3.43Å; I441-I469 HydrophobicContact CG1-CD1 4.34Å; I441-I469 HydrophobicContact CG2-CD1 3.95Å
442	V	74.9	Confident	60.4	Low	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.1	179.4	-176	0	0	0	0	108.6	I440 G444 P453 W454 V456 L499 Y507 L523	I440-V442 HydrophobicContact CG2-CG2 4.35Å; V442-G444 PolarHBondContact O-N 2.95Å; V442-P453 CarbonylContact O-C 3.27Å; V442-P453 WeakPolarHBondContact O-CA 3.26Å; V442-W454 PolarHBondContact N-O 3.39Å; V442-W454 PolarHBondContact O-N 2.85Å; V442-V456 HydrophobicContact CB-CG2 4.35Å; V442-V456 HydrophobicContact CG2-CB 4.31Å; V442-V456 HydrophobicContact CG2-CG2 3.64Å; V442-L499 HydrophobicContact CB-CD1 4.46Å; V442-L499 HydrophobicContact CB-CD2 4.36Å; V442-L499 HydrophobicContact CG1-CD1 4.13Å; V442-L499 HydrophobicContact CG1-CD2 4.4Å; V442-L499 HydrophobicContact CG2-CD1 3.64Å; V442-L499 HydrophobicContact CG2-CD2 3.89Å; V442-L499 HydrophobicContact CG2-CG 4.42Å; V442-Y507 HydrophobicContact CG1-CD1 4.05Å; V442-Y507 HydrophobicContact CG1-CD2 3.97Å; V442-Y507 HydrophobicContact CG1-CG 3.61Å; V442-L523 HydrophobicContact CB-CD1 4.17Å; V442-L523 HydrophobicContact CG1-CD1 3.66Å; V442-L523 HydrophobicContact CG2-CD1 3.61Å
443	P	69.1	Low	62.2	Low	64 Å²	64	58.6 Å²	58.6	42%	0.416	32%	0.318	S	S	.	.			trans	-67.6	104.9	172.2	-13.6	28.6	0	0	0	108.8	C445 Y507	P443-C445 PolarHBondContact O-N 2.97Å; P443-Y507 HydrophobicContact CB-CE1 4.44Å; P443-Y507 HydrophobicContact CB-CE2 4.07Å; P443-Y507 WeakPolarHBondContact CB-OH 3.13Å; P443-Y507 HydrophobicContact CG-CE1 3.81Å; P443-Y507 HydrophobicContact CG-CE2 4.32Å; P443-Y507 VanDerWaalsContact CG-OH 3.28Å; P443-Y507 WeakPolarHBondContact CG-OH 3.13Å; P443-Y507 WeakPolarHBondContact O-CD2 3Å; P443-Y507 WeakPolarHBondContact O-CE2 2.99Å
444	G	62.1	Low	63.7	Low	7 Å²	7	58.4 Å²	58.4	7%	0.072	31%	0.31	C	S	.	.			trans	-71.9	24.2	-164.7	0	0	0	0	0	117.1	V442 S452	V442-G444 PolarHBondContact O-N 2.95Å; G444-S452 WeakPolarHBondContact CA-O 3.28Å; G444-S452 PolarHBondContact N-O 2.94Å
445	C	61.7	Low	65.1	Low	26 Å²	26	51.7 Å²	51.7	18%	0.176	28%	0.279	C	S	.	.			trans	-117.4	143	-178.8	-63.1	0	0	0	0	113.6	P443 Q449 C451	P443-C445 PolarHBondContact O-N 2.97Å; C445-Q449 PolarHBondContact SG-O 2.98Å; C445-C451 VanDerWaalsContact CA-SG 3.51Å; C445-C451 HydrophobicContact CB-CB 4.19Å; C445-C451 WeakPolarHBondContact CB-SG 3.09Å; C445-C451 WeakPolarHBondContact SG-CA 3.22Å; C445-C451 WeakPolarHBondContact SG-CB 3Å; C445-C451 PolarHBondContact SG-N 2.93Å; C445-C451 CovalentContact SG-SG 2.02Å; C445-C451 PolarHBondContact SG-SG 3.21Å
446	Q	51.3	Low	66.1	Low	78 Å²	78	51.2 Å²	51.2	36%	0.364	28%	0.277	S	S	.	.	S	Bend	trans	-85.9	148.7	145.1	-71.7	172.3	1.6	0	0	109	T506 H524	Q446-T506 HydrophobicContact CG-CG2 4.44Å; Q446-T506 VanDerWaalsContact NE2-CG2 3.3Å; Q446-H524 HydrophobicContact CG-CB 4.39Å
447	K	47.6	Very low	67.2	Low	117 Å²	117	49.4 Å²	49.4	51%	0.509	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-16	134.3	-176.4	-146.1	-177.8	-172.3	144.6	0	117.5	Q449 Y505	K447-Q449 PolarHBondContact O-N 2.03Å; K447-Y505 HydrophobicContact CB-CD1 4.13Å; K447-Y505 HydrophobicContact CB-CD2 3.56Å; K447-Y505 HydrophobicContact CB-CE1 4.42Å; K447-Y505 HydrophobicContact CB-CE2 3.94Å; K447-Y505 HydrophobicContact CB-CG 3.7Å; K447-Y505 HydrophobicContact CD-CD2 3.71Å; K447-Y505 HydrophobicContact CD-CE1 4.37Å; K447-Y505 HydrophobicContact CD-CE2 3.19Å; K447-Y505 VanDerWaalsContact CE-CE2 3.46Å; K447-Y505 VanDerWaalsContact CE-CZ 3.4Å; K447-Y505 WeakPolarHBondContact CE-OH 3.32Å; K447-Y505 HydrophobicContact CG-CD1 4.07Å; K447-Y505 HydrophobicContact CG-CD2 3.68Å; K447-Y505 HydrophobicContact CG-CE1 3.85Å; K447-Y505 HydrophobicContact CG-CE2 3.48Å; K447-Y505 VanDerWaalsContact CG-CE2 3.48Å; K447-Y505 HydrophobicContact CG-CG 3.99Å; K447-Y505 VanDerWaalsContact NZ-CE2 3.34Å; K447-Y505 PolarHBondContact NZ-OH 2.75Å
448	L	47.1	Very low	68.1	Low	170 Å²	170	50.1 Å²	50.1	89%	0.89	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	12.3	161.6	-73.3	155.3	0	0	0	118.5
449	Q	51.6	Low	68.5	Low	150 Å²	150	46.8 Å²	46.8	70%	0.701	25%	0.254	S	S	*	.			trans	-106.8	144	168	-68.9	-177.6	-3.1	0	0	111.2	C445 K447 C451	C445-Q449 PolarHBondContact SG-O 2.98Å; K447-Q449 PolarHBondContact O-N 2.03Å; Q449-C451 PolarHBondContact O-N 3.36Å; Q449-C451 PolarHBondContact O-SG 3.46Å; Q449-C451 VanDerWaalsContact O-SG 3.41Å
450	T	48.2	Very low	68.2	Low	154 Å²	154	46.9 Å²	46.9	95%	0.945	26%	0.255	S	S	*	.			trans	-71.6	103.9	165.6	50.7	0	0	0	0	107.7
451	C	62.6	Low	67.8	Low	48 Å²	48	48.6 Å²	48.6	32%	0.324	26%	0.264	S	S	.	.			trans	-133.5	158.2	176.5	6.9	0	0	0	0	112.6	C445 Q449	C445-C451 VanDerWaalsContact CA-SG 3.51Å; C445-C451 HydrophobicContact CB-CB 4.19Å; C445-C451 WeakPolarHBondContact CB-SG 3.09Å; C445-C451 WeakPolarHBondContact SG-CA 3.22Å; C445-C451 WeakPolarHBondContact SG-CB 3Å; C445-C451 PolarHBondContact SG-N 2.93Å; C445-C451 CovalentContact SG-SG 2.02Å; C445-C451 PolarHBondContact SG-SG 3.21Å; Q449-C451 PolarHBondContact O-N 3.36Å; Q449-C451 PolarHBondContact O-SG 3.46Å; Q449-C451 VanDerWaalsContact O-SG 3.41Å
452	S	73.9	Confident	67.7	Low	10 Å²	10	46.2 Å²	46.2	7%	0.07	25%	0.252	C	S	.	.			trans	-68	141.6	177.8	43.7	0	0	0	0	111.4	G444 D468 Q470	G444-S452 WeakPolarHBondContact CA-O 3.28Å; G444-S452 PolarHBondContact N-O 2.94Å; S452-D468 VanDerWaalsContact CB-CG 3.46Å; S452-D468 WeakPolarHBondContact CB-OD1 3.45Å; S452-D468 WeakPolarHBondContact CB-OD2 3.39Å; S452-D468 PolarHBondContact OG-OD1 2.92Å; S452-D468 PolarHBondContact OG-OD2 2.81Å; S452-Q470 VanDerWaalsContact CB-CD 3.49Å
453	P	81.2	Confident	67.9	Low	27 Å²	27	49.4 Å²	49.4	18%	0.175	26%	0.264	C	S	.	.			trans	-68	149.8	166.3	29.3	-29.7	0	0	0	110.1	P371 I441 V442 I469	P371-P453 HydrophobicContact CG-CG 3.58Å; I441-P453 HydrophobicContact CG2-CB 4.17Å; V442-P453 CarbonylContact O-C 3.27Å; V442-P453 WeakPolarHBondContact O-CA 3.26Å; P453-I469 HydrophobicContact CB-CD1 3.92Å; P453-I469 HydrophobicContact CG-CB 4.15Å; P453-I469 HydrophobicContact CG-CD1 3.96Å; P453-I469 VanDerWaalsContact O-CB 3.26Å; P453-I469 WeakPolarHBondContact O-CB 3.5Å; P453-I469 WeakPolarHBondContact O-CG1 3.42Å; P453-I469 PolarHBondContact O-N 3.36Å
454	W	85.2	Confident	68.4	Low	20 Å²	20	46.4 Å²	46.4	8%	0.076	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	145.3	176.4	-60.2	-12.3	0	0	0	110.1	I441 V442 V467 A475 L523 H524	I441-W454 WeakPolarHBondContact CA-O 3.43Å; V442-W454 PolarHBondContact N-O 3.39Å; V442-W454 PolarHBondContact O-N 2.85Å; W454-V467 CarbonylContact C-O 3.56Å; W454-V467 VanDerWaalsContact CA-O 3.24Å; W454-V467 WeakPolarHBondContact CA-O 3.44Å; W454-A475 HydrophobicContact CD2-CB 3.78Å; W454-A475 HydrophobicContact CE3-CB 4.02Å; W454-A475 HydrophobicContact CG-CB 4.25Å; W454-A475 HydrophobicContact CH2-CB 4.26Å; W454-A475 HydrophobicContact CZ2-CB 4.06Å; W454-A475 HydrophobicContact CZ3-CB 4.25Å; W454-L523 WeakPolarHBondContact CZ3-O 3.11Å; W454-H524 AromaticContact CH2-CE1 3.67Å; W454-H524 AromaticContact CH2-ND1 3.3Å; W454-H524 VanDerWaalsContact CH2-ND1 3.3Å; W454-H524 WeakPolarHBondContact CH2-ND1 3.3Å; W454-H524 AromaticContact CZ3-CE1 3.56Å; W454-H524 AromaticContact CZ3-ND1 3.48Å; W454-H524 WeakPolarHBondContact CZ3-ND1 3.47Å
455	S	86.2	Confident	69.5	Low	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.6	167.2	49.1	0	0	0	0	108.6	L399 I440 A466 V467	L399-S455 WeakPolarHBondContact CD2-OG 3.5Å; I440-S455 WeakPolarHBondContact O-CA 3.36Å; S455-A466 WeakPolarHBondContact O-CA 3.29Å; S455-V467 PolarHBondContact N-O 3.49Å; S455-V467 PolarHBondContact O-N 2.96Å; S455-V467 PolarHBondContact OG-O 2.82Å; S455-V467 VanDerWaalsContact OG-O 3.07Å
456	V	83.4	Confident	70.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.3	-178.4	-174.1	0	0	0	0	109.1	I440 V442 V464 H465 A466 L509 L523	I440-V456 PolarHBondContact N-O 3.34Å; I440-V456 PolarHBondContact O-N 2.72Å; V442-V456 HydrophobicContact CB-CG2 4.35Å; V442-V456 HydrophobicContact CG2-CB 4.31Å; V442-V456 HydrophobicContact CG2-CG2 3.64Å; V456-V464 HydrophobicContact CG1-CG1 3.63Å; V456-H465 VanDerWaalsContact CA-O 3.29Å; V456-H465 WeakPolarHBondContact CA-O 3.41Å; V456-A466 HydrophobicContact CG2-CB 3.9Å; V456-L509 HydrophobicContact CG1-CD2 3.82Å; V456-L523 HydrophobicContact CG1-CD2 4.11Å; V456-L523 HydrophobicContact CG2-CD1 4.34Å; V456-L523 HydrophobicContact CG2-CD2 4.34Å
457	Y	80.2	Confident	72.5	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	160	177.4	70.3	-75.4	0	0	0	110.7	V393 S397 L399 Y418 T459 H465 V467	V393-Y457 HydrophobicContact CG1-CD2 4.28Å; V393-Y457 HydrophobicContact CG1-CE2 4.16Å; V393-Y457 HydrophobicContact CG2-CD2 4.25Å; V393-Y457 HydrophobicContact CG2-CE2 4.48Å; V393-Y457 HydrophobicContact CG2-CG 4.41Å; S397-Y457 WeakPolarHBondContact O-CE2 3.47Å; S397-Y457 PolarHBondContact O-OH 3.37Å; L399-Y457 HydrophobicContact CB-CE1 3.79Å; L399-Y457 HydrophobicContact CD2-CD1 4.08Å; L399-Y457 HydrophobicContact CD2-CE1 3.75Å; L399-Y457 HydrophobicContact CG-CE1 4.29Å; Y418-Y457 HydrophobicContact CD1-CE1 4.44Å; Y418-Y457 WeakPolarHBondContact CD1-OH 3.46Å; Y418-Y457 WeakPolarHBondContact CE1-OH 3.35Å; Y457-T459 HydrophobicContact CE2-CG2 4.01Å; Y457-H465 HydrophobicContact CD1-CB 4.09Å; Y457-H465 HydrophobicContact CE1-CB 3.62Å; Y457-H465 HydrophobicContact CE2-CB 4.48Å; Y457-H465 PolarHBondContact N-O 3.13Å; Y457-H465 PolarHBondContact O-N 3.45Å; Y457-V467 HydrophobicContact CE1-CG2 4.35Å
458	T	76.2	Confident	74.3	Confident	19 Å²	19	37 Å²	37	12%	0.117	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	148.1	178.6	54.4	0	0	0	0	111	Q435 Y463 V464 L492 F511	Q435-T458 PolarHBondContact NE2-O 3.26Å; Q435-T458 PolarHBondContact OE1-O 2.65Å; T458-Y463 WeakPolarHBondContact CA-O 3.38Å; T458-V464 HydrophobicContact CG2-CG2 4.11Å; T458-L492 HydrophobicContact CG2-CD1 3.75Å; T458-L492 HydrophobicContact CG2-CG 4.5Å; T458-F511 HydrophobicContact CG2-CE2 4.41Å
459	T	74.1	Confident	76	Confident	4 Å²	4	29 Å²	29	3%	0.025	16%	0.157	C	C	.	.			trans	-109.9	155	177.2	43.2	0	0	0	0	111.1	S397 P420 Y457 D461 G462 Y463 H465	S397-T459 VanDerWaalsContact CB-CG2 3.49Å; P420-T459 HydrophobicContact CG-CG2 3.95Å; Y457-T459 HydrophobicContact CE2-CG2 4.01Å; T459-D461 WeakPolarHBondContact CB-OD1 3.29Å; T459-D461 PolarHBondContact O-N 3.45Å; T459-D461 PolarHBondContact OG1-OD1 3.11Å; T459-G462 PolarHBondContact O-N 2.72Å; T459-G462 VanDerWaalsContact O-N 3.08Å; T459-Y463 PolarHBondContact N-O 3.41Å; T459-Y463 WeakPolarHBondContact OG1-CB 3.44Å; T459-Y463 PolarHBondContact OG1-N 3.16Å; T459-Y463 PolarHBondContact OG1-O 3.25Å; T459-H465 VanDerWaalsContact CG2-CD2 3.41Å; T459-H465 WeakPolarHBondContact CG2-CD2 3.03Å
460	P	67.5	Low	77.6	Confident	16 Å²	16	26.1 Å²	26.1	10%	0.104	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.3	179.8	-19.6	32.8	0	0	0	114.1	S397 G433 G462 T490	S397-P460 VanDerWaalsContact OG-CD 3.24Å; S397-P460 WeakPolarHBondContact OG-CD 3.3Å; G433-P460 WeakPolarHBondContact O-CG 3.06Å; P460-G462 PolarHBondContact O-N 2.61Å; P460-T490 CarbonylContact O-C 3.59Å; P460-T490 WeakPolarHBondContact O-CA 2.84Å
461	D	67	Low	79.2	Confident	59 Å²	59	21.9 Å²	21.9	32%	0.316	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	2.7	173.1	63.1	-5.2	0	0	0	113.1	T459 Y463	T459-D461 WeakPolarHBondContact CB-OD1 3.29Å; T459-D461 PolarHBondContact O-N 3.45Å; T459-D461 PolarHBondContact OG1-OD1 3.11Å; D461-Y463 HydrophobicContact CB-CD2 4.29Å; D461-Y463 PolarHBondContact OD1-N 3.07Å
462	G	70.5	Confident	80.3	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	85.5	18.8	176.5	0	0	0	0	0	114.1	T459 P460 L482	T459-G462 PolarHBondContact O-N 2.72Å; T459-G462 VanDerWaalsContact O-N 3.08Å; P460-G462 PolarHBondContact O-N 2.61Å; G462-L482 WeakPolarHBondContact O-CA 3.38Å; G462-L482 WeakPolarHBondContact O-CB 3.39Å; G462-L482 PolarHBondContact O-N 2.46Å
463	Y	78.6	Confident	80.8	Confident	67 Å²	67	25 Å²	25	26%	0.263	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	152.5	174	-71.8	-102.1	0	0	0	111.9	T458 T459 D461 P479 V480 F483	T458-Y463 WeakPolarHBondContact CA-O 3.38Å; T459-Y463 PolarHBondContact N-O 3.41Å; T459-Y463 WeakPolarHBondContact OG1-CB 3.44Å; T459-Y463 PolarHBondContact OG1-N 3.16Å; T459-Y463 PolarHBondContact OG1-O 3.25Å; D461-Y463 HydrophobicContact CB-CD2 4.29Å; D461-Y463 PolarHBondContact OD1-N 3.07Å; Y463-P479 HydrophobicContact CD1-CB 4.18Å; Y463-V480 CarbonylContact C-O 3.54Å; Y463-V480 WeakPolarHBondContact CA-O 3.04Å; Y463-F483 AromaticContact CE2-CE2 3.83Å; Y463-F483 HydrophobicContact CE2-CE2 3.83Å
464	V	80.7	Confident	81	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.3	161.7	-169	0	0	0	0	108.2	V456 T458 Y478 P479 V480 L482 F511 L521	V456-V464 HydrophobicContact CG1-CG1 3.63Å; T458-V464 HydrophobicContact CG2-CG2 4.11Å; V464-Y478 HydrophobicContact CB-CE1 4.18Å; V464-Y478 HydrophobicContact CG1-CE1 3.91Å; V464-Y478 WeakPolarHBondContact O-CD1 3.38Å; V464-P479 WeakPolarHBondContact O-CA 3.47Å; V464-V480 PolarHBondContact N-O 3.45Å; V464-V480 PolarHBondContact O-N 3.37Å; V464-L482 HydrophobicContact CG2-CD1 3.36Å; V464-L482 HydrophobicContact CG2-CD2 3.67Å; V464-L482 HydrophobicContact CG2-CG 3.54Å; V464-F511 HydrophobicContact CG2-CZ 4.1Å; V464-L521 HydrophobicContact CB-CD2 3.95Å; V464-L521 HydrophobicContact CG1-CD2 3.69Å; V464-L521 HydrophobicContact CG2-CD2 3.89Å
465	H	85.7	Confident	81	Confident	6 Å²	6	25 Å²	25	3%	0.028	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.2	173.8	-67.8	-100.4	0	0	0	108.8	Y418 V456 Y457 T459 P479	Y418-H465 HydrophobicContact CE1-CB 4.11Å; Y418-H465 AromaticContact CE1-ND1 3.49Å; Y418-H465 WeakPolarHBondContact CE1-ND1 3.03Å; Y418-H465 AromaticContact CZ-ND1 3.61Å; Y418-H465 PolarHBondContact OH-ND1 3.07Å; V456-H465 VanDerWaalsContact CA-O 3.29Å; V456-H465 WeakPolarHBondContact CA-O 3.41Å; Y457-H465 HydrophobicContact CD1-CB 4.09Å; Y457-H465 HydrophobicContact CE1-CB 3.62Å; Y457-H465 HydrophobicContact CE2-CB 4.48Å; Y457-H465 PolarHBondContact N-O 3.13Å; Y457-H465 PolarHBondContact O-N 3.45Å; T459-H465 VanDerWaalsContact CG2-CD2 3.41Å; T459-H465 WeakPolarHBondContact CG2-CD2 3.03Å; H465-P479 VanDerWaalsContact CE1-CB 3.49Å; H465-P479 WeakPolarHBondContact CE1-CB 3.48Å
466	A	87.2	Confident	80.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.4	164.5	0	0	0	0	0	108.4	S455 V456 S474 A475 Y478	S455-A466 WeakPolarHBondContact O-CA 3.29Å; V456-A466 HydrophobicContact CG2-CB 3.9Å; A466-S474 CarbonylContact O-C 3.57Å; A466-S474 WeakPolarHBondContact O-CA 3.1Å; A466-S474 PolarHBondContact O-OG 3.02Å; A466-A475 HydrophobicContact CB-CB 3.8Å; A466-A475 PolarHBondContact O-N 3.44Å; A466-Y478 HydrophobicContact CB-CD1 3.68Å; A466-Y478 HydrophobicContact CB-CD2 3.47Å; A466-Y478 VanDerWaalsContact CB-CD2 3.47Å; A466-Y478 HydrophobicContact CB-CE1 3.77Å; A466-Y478 HydrophobicContact CB-CE2 3.53Å; A466-Y478 HydrophobicContact CB-CG 3.52Å; A466-Y478 VanDerWaalsContact N-CD1 3.33Å
467	V	87.2	Confident	80.3	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.9	-176.9	-177.4	0	0	0	0	108.4	L399 W416 Y418 W454 S455 Y457 I469 L473	L399-V467 HydrophobicContact CD2-CB 4.02Å; L399-V467 HydrophobicContact CD2-CG2 4Å; W416-V467 HydrophobicContact CH2-CG1 3.85Å; W416-V467 HydrophobicContact CZ2-CG1 4.41Å; W416-V467 HydrophobicContact CZ3-CG1 3.91Å; Y418-V467 HydrophobicContact CD1-CG2 3.37Å; Y418-V467 HydrophobicContact CD2-CG1 4.47Å; Y418-V467 HydrophobicContact CD2-CG2 3.93Å; Y418-V467 HydrophobicContact CE1-CG2 3.65Å; Y418-V467 HydrophobicContact CE2-CG2 4.18Å; Y418-V467 HydrophobicContact CG-CG1 4.24Å; Y418-V467 HydrophobicContact CG-CG2 3.51Å; W454-V467 CarbonylContact C-O 3.56Å; W454-V467 VanDerWaalsContact CA-O 3.24Å; W454-V467 WeakPolarHBondContact CA-O 3.44Å; S455-V467 PolarHBondContact N-O 3.49Å; S455-V467 PolarHBondContact O-N 2.96Å; S455-V467 PolarHBondContact OG-O 2.82Å; S455-V467 VanDerWaalsContact OG-O 3.07Å; Y457-V467 HydrophobicContact CE1-CG2 4.35Å; V467-I469 PolarHBondContact O-N 3.35Å; V467-L473 CarbonylContact C-O 3.6Å; V467-L473 WeakPolarHBondContact CA-O 3.49Å; V467-L473 WeakPolarHBondContact CG1-O 3.25Å
468	D	86.3	Confident	80.4	Confident	25 Å²	25	31.9 Å²	31.9	13%	0.134	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	122.3	173.3	176.3	-41.7	0	0	0	110	S452 Q470 T471 G472 L473	S452-D468 VanDerWaalsContact CB-CG 3.46Å; S452-D468 WeakPolarHBondContact CB-OD1 3.45Å; S452-D468 WeakPolarHBondContact CB-OD2 3.39Å; S452-D468 PolarHBondContact OG-OD1 2.92Å; S452-D468 PolarHBondContact OG-OD2 2.81Å; D468-Q470 VanDerWaalsContact C-N 3.3Å; D468-Q470 PolarHBondContact O-N 2.79Å; D468-Q470 WeakPolarHBondContact OD1-CA 3.21Å; D468-Q470 WeakPolarHBondContact OD1-CB 3.44Å; D468-Q470 PolarHBondContact OD1-N 3.4Å; D468-T471 WeakPolarHBondContact CB-OG1 3.21Å; D468-T471 VanDerWaalsContact CG-OG1 3.3Å; D468-T471 PolarHBondContact O-N 3.2Å; D468-T471 PolarHBondContact OD1-N 3.05Å; D468-T471 PolarHBondContact OD1-OG1 3.45Å; D468-G472 WeakPolarHBondContact O-CA 3.43Å; D468-G472 PolarHBondContact O-N 3.49Å; D468-L473 PolarHBondContact N-O 3.47Å
469	I	83.6	Confident	80.8	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-29.1	-174.8	-66.1	169.1	0	0	0	112.3	L391 L401 W416 I441 P453 V467	L391-I469 HydrophobicContact CD1-CD1 3.91Å; L391-I469 HydrophobicContact CD1-CG1 4.29Å; L401-I469 HydrophobicContact CD1-CG2 4.26Å; L401-I469 HydrophobicContact CD2-CG2 3.96Å; L401-I469 WeakPolarHBondContact CD2-O 3.39Å; W416-I469 PolarHBondContact NE1-O 3.14Å; I441-I469 HydrophobicContact CG1-CD1 4.34Å; I441-I469 HydrophobicContact CG2-CD1 3.95Å; P453-I469 HydrophobicContact CB-CD1 3.92Å; P453-I469 HydrophobicContact CG-CB 4.15Å; P453-I469 HydrophobicContact CG-CD1 3.96Å; P453-I469 VanDerWaalsContact O-CB 3.26Å; P453-I469 WeakPolarHBondContact O-CB 3.5Å; P453-I469 WeakPolarHBondContact O-CG1 3.42Å; P453-I469 PolarHBondContact O-N 3.36Å; V467-I469 PolarHBondContact O-N 3.35Å
470	Q	83.6	Confident	80.9	Confident	91 Å²	91	34.6 Å²	34.6	43%	0.425	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-37.5	179.4	-66.6	-176.1	-3.3	0	0	112.2	S452 D468	S452-Q470 VanDerWaalsContact CB-CD 3.49Å; D468-Q470 VanDerWaalsContact C-N 3.3Å; D468-Q470 PolarHBondContact O-N 2.79Å; D468-Q470 WeakPolarHBondContact OD1-CA 3.21Å; D468-Q470 WeakPolarHBondContact OD1-CB 3.44Å; D468-Q470 PolarHBondContact OD1-N 3.4Å
471	T	82.9	Confident	81.3	Confident	64 Å²	64	35.9 Å²	35.9	39%	0.393	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-30	-174	65.2	0	0	0	0	113.9	D468 L473	D468-T471 WeakPolarHBondContact CB-OG1 3.21Å; D468-T471 VanDerWaalsContact CG-OG1 3.3Å; D468-T471 PolarHBondContact O-N 3.2Å; D468-T471 PolarHBondContact OD1-N 3.05Å; D468-T471 PolarHBondContact OD1-OG1 3.45Å; T471-L473 VanDerWaalsContact C-N 3.27Å; T471-L473 PolarHBondContact OG1-N 2.91Å
472	G	84.2	Confident	81.3	Confident	8 Å²	8	33.2 Å²	33.2	8%	0.082	20%	0.198	C	C	.	.			trans	76.8	12	-169.9	0	0	0	0	0	114	W416 D468	W416-G472 VanDerWaalsContact CG-CA 3.47Å; D468-G472 WeakPolarHBondContact O-CA 3.43Å; D468-G472 PolarHBondContact O-N 3.49Å
473	L	86.2	Confident	80.7	Confident	117 Å²	117	37.7 Å²	37.7	61%	0.613	22%	0.218	S	C	*	.	S	Bend	trans	-97.5	156.4	178.3	-61.3	176.5	0	0	0	110.8	V467 D468 T471 A475	V467-L473 CarbonylContact C-O 3.6Å; V467-L473 WeakPolarHBondContact CA-O 3.49Å; V467-L473 WeakPolarHBondContact CG1-O 3.25Å; D468-L473 PolarHBondContact N-O 3.47Å; T471-L473 VanDerWaalsContact C-N 3.27Å; T471-L473 PolarHBondContact OG1-N 2.91Å; L473-A475 PolarHBondContact O-N 3.35Å
474	S	85.4	Confident	79.2	Confident	44 Å²	44	35.4 Å²	35.4	31%	0.308	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-62.6	137.3	175.9	-163.8	0	0	0	0	110.9	A466 Y478	A466-S474 CarbonylContact O-C 3.57Å; A466-S474 WeakPolarHBondContact O-CA 3.1Å; A466-S474 PolarHBondContact O-OG 3.02Å; S474-Y478 WeakPolarHBondContact OG-CB 3.14Å; S474-Y478 PolarHBondContact OG-O 3.45Å
475	A	83.6	Confident	77.4	Confident	2 Å²	2	42.4 Å²	42.4	2%	0.017	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-65.3	150.2	174.1	0	0	0	0	0	110.4	W454 A466 L473 G477 Y478	W454-A475 HydrophobicContact CD2-CB 3.78Å; W454-A475 HydrophobicContact CE3-CB 4.02Å; W454-A475 HydrophobicContact CG-CB 4.25Å; W454-A475 HydrophobicContact CH2-CB 4.26Å; W454-A475 HydrophobicContact CZ2-CB 4.06Å; W454-A475 HydrophobicContact CZ3-CB 4.25Å; A466-A475 HydrophobicContact CB-CB 3.8Å; A466-A475 PolarHBondContact O-N 3.44Å; L473-A475 PolarHBondContact O-N 3.35Å; A475-G477 PolarHBondContact O-N 2.78Å; A475-Y478 HydrophobicContact CB-CD2 4.11Å; A475-Y478 WeakPolarHBondContact O-CB 3.25Å; A475-Y478 PolarHBondContact O-N 2.79Å; A475-Y478 VanDerWaalsContact O-N 3.08Å
476	P	80	Confident	75.3	Confident	86 Å²	86	50.9 Å²	50.9	56%	0.558	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	127.6	-178.2	-24.7	33.8	0	0	0	112.7	N525	P476-N525 PolarHBondContact O-ND2 3.2Å
477	G	76.6	Confident	72.9	Confident	41 Å²	41	56.8 Å²	56.8	42%	0.423	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.3	-10.2	-178.5	0	0	0	0	0	114.6	A475 V480 L527	A475-G477 PolarHBondContact O-N 2.78Å; G477-V480 WeakPolarHBondContact O-CG2 3.29Å; G477-L527 VanDerWaalsContact C-CD1 3.49Å; G477-L527 WeakPolarHBondContact O-CD1 3.33Å
478	Y	82.4	Confident	70.6	Confident	19 Å²	19	61.5 Å²	61.5	8%	0.075	33%	0.33	C	S	.	.			trans	-98.3	156.4	177.1	-72.8	-93.1	0	0	0	112.4	V464 A466 S474 A475 V480 L521 L523 L527	V464-Y478 HydrophobicContact CB-CE1 4.18Å; V464-Y478 HydrophobicContact CG1-CE1 3.91Å; V464-Y478 WeakPolarHBondContact O-CD1 3.38Å; A466-Y478 HydrophobicContact CB-CD1 3.68Å; A466-Y478 HydrophobicContact CB-CD2 3.47Å; A466-Y478 VanDerWaalsContact CB-CD2 3.47Å; A466-Y478 HydrophobicContact CB-CE1 3.77Å; A466-Y478 HydrophobicContact CB-CE2 3.53Å; A466-Y478 HydrophobicContact CB-CG 3.52Å; A466-Y478 VanDerWaalsContact N-CD1 3.33Å; S474-Y478 WeakPolarHBondContact OG-CB 3.14Å; S474-Y478 PolarHBondContact OG-O 3.45Å; A475-Y478 HydrophobicContact CB-CD2 4.11Å; A475-Y478 WeakPolarHBondContact O-CB 3.25Å; A475-Y478 PolarHBondContact O-N 2.79Å; A475-Y478 VanDerWaalsContact O-N 3.08Å; Y478-V480 HydrophobicContact CD1-CB 4.34Å; Y478-V480 HydrophobicContact CD1-CG2 3.73Å; Y478-V480 HydrophobicContact CE1-CB 4.37Å; Y478-V480 HydrophobicContact CE1-CG2 3.83Å; Y478-V480 HydrophobicContact CG-CG2 4.18Å; Y478-L521 HydrophobicContact CE1-CD2 4.24Å; Y478-L523 WeakPolarHBondContact CE2-O 3.2Å; Y478-L523 WeakPolarHBondContact OH-CA 3.32Å; Y478-L523 WeakPolarHBondContact OH-CD2 3.4Å; Y478-L527 HydrophobicContact CD2-CD2 4.47Å; Y478-L527 HydrophobicContact CE2-CD2 3.71Å
479	P	82.7	Confident	68.5	Low	66 Å²	66	60.4 Å²	60.4	43%	0.429	33%	0.325	S	S	.	.	S	Bend	cis	-72	154.9	-2.1	32	-36.5	0	0	0	113.6	Y463 V464 H465	Y463-P479 HydrophobicContact CD1-CB 4.18Å; V464-P479 WeakPolarHBondContact O-CA 3.47Å; H465-P479 VanDerWaalsContact CE1-CB 3.49Å; H465-P479 WeakPolarHBondContact CE1-CB 3.48Å
480	V	77.6	Confident	66.4	Low	15 Å²	15	63 Å²	63	9%	0.091	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.7	-179.9	-179.7	0	0	0	0	109.4	Y463 V464 G477 Y478 L521 L527 I529	Y463-V480 CarbonylContact C-O 3.54Å; Y463-V480 WeakPolarHBondContact CA-O 3.04Å; V464-V480 PolarHBondContact N-O 3.45Å; V464-V480 PolarHBondContact O-N 3.37Å; G477-V480 WeakPolarHBondContact O-CG2 3.29Å; Y478-V480 HydrophobicContact CD1-CB 4.34Å; Y478-V480 HydrophobicContact CD1-CG2 3.73Å; Y478-V480 HydrophobicContact CE1-CB 4.37Å; Y478-V480 HydrophobicContact CE1-CG2 3.83Å; Y478-V480 HydrophobicContact CG-CG2 4.18Å; V480-L521 HydrophobicContact CG1-CD1 4.39Å; V480-L527 HydrophobicContact CG2-CD1 3.41Å; V480-L527 VanDerWaalsContact CG2-CD1 3.41Å; V480-L527 HydrophobicContact CG2-CD2 4.1Å; V480-L527 HydrophobicContact CG2-CG 4.28Å; V480-I529 HydrophobicContact CG1-CD1 3.51Å; V480-I529 HydrophobicContact CG1-CG1 4.19Å
481	S	75.6	Confident	64.5	Low	42 Å²	42	61.9 Å²	61.9	29%	0.294	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	132.5	172.8	166.9	0	0	0	0	110.8	F483 I529	S481-F483 WeakPolarHBondContact OG-CB 3.12Å; S481-F483 WeakPolarHBondContact OG-CD2 3.2Å; S481-F483 PolarHBondContact OG-N 3.3Å; S481-I529 WeakPolarHBondContact O-CD1 3.34Å
482	L	66.4	Low	62.8	Low	4 Å²	4	59.1 Å²	59.1	2%	0.021	32%	0.321	C	S	.	.			trans	-96.2	11.1	168.5	-57.6	172.9	0	0	0	112.7	G462 V464 T484 L492 F511 I519 I529	G462-L482 WeakPolarHBondContact O-CA 3.38Å; G462-L482 WeakPolarHBondContact O-CB 3.39Å; G462-L482 PolarHBondContact O-N 2.46Å; V464-L482 HydrophobicContact CG2-CD1 3.36Å; V464-L482 HydrophobicContact CG2-CD2 3.67Å; V464-L482 HydrophobicContact CG2-CG 3.54Å; L482-T484 PolarHBondContact O-N 2.74Å; L482-L492 HydrophobicContact CD1-CD1 3.56Å; L482-L492 HydrophobicContact CD1-CD2 3.89Å; L482-L492 HydrophobicContact CD1-CG 4.37Å; L482-F511 HydrophobicContact CD1-CE2 3.5Å; L482-F511 HydrophobicContact CD1-CZ 3.65Å; L482-F511 HydrophobicContact CD2-CZ 4.06Å; L482-F511 HydrophobicContact CG-CZ 4.49Å; L482-I519 HydrophobicContact CD1-CD1 4.37Å; L482-I519 HydrophobicContact CD2-CG2 3.94Å; L482-I529 HydrophobicContact CD2-CD1 4.32Å; L482-I529 HydrophobicContact CD2-CG2 4.35Å
483	F	58.7	Low	60.8	Low	94 Å²	94	60.3 Å²	60.3	41%	0.412	33%	0.328	S	S	.	.			trans	-50.8	111.8	-178.6	-82.9	-64.7	0	0	0	110.7	Y463 S481 N488	Y463-F483 AromaticContact CE2-CE2 3.83Å; Y463-F483 HydrophobicContact CE2-CE2 3.83Å; S481-F483 WeakPolarHBondContact OG-CB 3.12Å; S481-F483 WeakPolarHBondContact OG-CD2 3.2Å; S481-F483 PolarHBondContact OG-N 3.3Å; F483-N488 HydrophobicContact CE1-CB 4.33Å; F483-N488 WeakPolarHBondContact CE1-OD1 3.18Å
484	T	47.8	Very low	58.6	Low	19 Å²	19	61.7 Å²	61.7	12%	0.117	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-91.3	143.7	161.3	66.5	0	0	0	0	106.9	L482 Y486	L482-T484 PolarHBondContact O-N 2.74Å; T484-Y486 PolarHBondContact O-N 3.39Å
485	M	42.3	Very low	56.7	Low	146 Å²	146	61.2 Å²	61.2	72%	0.719	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-13.6	-171.5	-87.9	-169	170.6	0	0	115.8
486	Y	40.4	Very low	54.8	Low	184 Å²	184	64 Å²	64	72%	0.722	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-25.7	-166.4	-81.5	-73.6	0	0	0	117.1	T484	T484-Y486 PolarHBondContact O-N 3.39Å
487	H	37.9	Very low	53.5	Low	124 Å²	124	61.3 Å²	61.3	57%	0.574	34%	0.344	S	S	*	.	B	Isolated β-bridge	trans	-154.5	151.9	170.6	-76.2	-64.5	0	0	0	108.5	V489 Y515	H487-V489 PolarHBondContact O-N 3.44Å; H487-Y515 HydrophobicContact CB-CE2 4.22Å
488	N	39.1	Very low	52.5	Low	99 Å²	99	63.1 Å²	63.1	53%	0.529	34%	0.343	S	S	.	.			trans	-47.9	123	157.5	-68.2	-9.3	0	0	0	105.4	F483 T490	F483-N488 HydrophobicContact CE1-CB 4.33Å; F483-N488 WeakPolarHBondContact CE1-OD1 3.18Å; N488-T490 HydrophobicContact CB-CG2 3.56Å; N488-T490 PolarHBondContact O-N 3.33Å; N488-T490 PolarHBondContact O-OG1 3.13Å
489	V	42.1	Very low	51.4	Low	3 Å²	3	64.5 Å²	64.5	2%	0.018	35%	0.351	C	S	.	.			trans	-73.3	62.6	174.1	-171.5	0	0	0	0	105.5	H487 N491 L492 D513	H487-V489 PolarHBondContact O-N 3.44Å; V489-N491 PolarHBondContact O-N 3.49Å; V489-N491 VanDerWaalsContact O-N 3.16Å; V489-L492 HydrophobicContact CG1-CD1 4.41Å; V489-L492 HydrophobicContact CG1-CD2 4.06Å; V489-L492 HydrophobicContact CG1-CG 3.89Å; V489-D513 HydrophobicContact CG1-CB 3.73Å
490	T	40.1	Very low	50.2	Low	55 Å²	55	62 Å²	62	34%	0.337	33%	0.333	S	S	.	.			trans	-75.1	-5.1	-165.1	22.8	0	0	0	0	112.9	P460 N488	P460-T490 CarbonylContact O-C 3.59Å; P460-T490 WeakPolarHBondContact O-CA 2.84Å; N488-T490 HydrophobicContact CB-CG2 3.56Å; N488-T490 PolarHBondContact O-N 3.33Å; N488-T490 PolarHBondContact O-OG1 3.13Å
491	N	43.1	Very low	49.3	Very low	68 Å²	68	62.5 Å²	62.5	36%	0.364	34%	0.335	S	S	.	.			trans	-146.8	102.5	172.3	-66.4	-51.4	0	0	0	108	V489 V514	V489-N491 PolarHBondContact O-N 3.49Å; V489-N491 VanDerWaalsContact O-N 3.16Å; N491-V514 HydrophobicContact CB-CB 4.02Å; N491-V514 HydrophobicContact CB-CG1 3.23Å; N491-V514 HydrophobicContact CB-CG2 3.73Å; N491-V514 WeakPolarHBondContact O-CB 3.35Å; N491-V514 VanDerWaalsContact O-CG1 3.25Å; N491-V514 WeakPolarHBondContact O-CG1 3.49Å; N491-V514 WeakPolarHBondContact O-CG2 3.24Å; N491-V514 PolarHBondContact O-N 2.88Å
492	L	46.2	Very low	48.3	Very low	6 Å²	6	61.8 Å²	61.8	3%	0.031	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-71	134.4	163.5	-78.8	143.9	0	0	0	107.8	T436 T458 L482 V489 I494 F511 D513 I519	T436-L492 PolarHBondContact OG1-O 3.5Å; T458-L492 HydrophobicContact CG2-CD1 3.75Å; T458-L492 HydrophobicContact CG2-CG 4.5Å; L482-L492 HydrophobicContact CD1-CD1 3.56Å; L482-L492 HydrophobicContact CD1-CD2 3.89Å; L482-L492 HydrophobicContact CD1-CG 4.37Å; V489-L492 HydrophobicContact CG1-CD1 4.41Å; V489-L492 HydrophobicContact CG1-CD2 4.06Å; V489-L492 HydrophobicContact CG1-CG 3.89Å; L492-I494 PolarHBondContact O-N 3.36Å; L492-F511 HydrophobicContact CD2-CD2 3.49Å; L492-F511 VanDerWaalsContact CD2-CD2 3.49Å; L492-F511 HydrophobicContact CD2-CE2 3.41Å; L492-F511 VanDerWaalsContact CD2-CE2 3.41Å; L492-D513 HydrophobicContact CD2-CB 4.13Å; L492-I519 HydrophobicContact CD2-CD1 4.05Å
493	S	42.1	Very low	47.5	Very low	33 Å²	33	63.1 Å²	63.1	23%	0.231	33%	0.332	C	S	.	.			trans	-74.3	122	-172	47.1	0	0	0	0	111.4	G495 T512 D513	S493-G495 PolarHBondContact O-N 3.18Å; S493-T512 PolarHBondContact N-O 2.94Å; S493-T512 WeakPolarHBondContact OG-CB 3.36Å; S493-T512 PolarHBondContact OG-O 3.17Å; S493-T512 PolarHBondContact OG-OG1 2.78Å; S493-D513 WeakPolarHBondContact CB-O 3.45Å; S493-D513 PolarHBondContact OG-O 2.94Å
494	I	40.7	Very low	47.5	Very low	146 Å²	146	61.7 Å²	61.7	75%	0.749	33%	0.329	S	S	*	.	S	Bend	trans	-1.9	95.6	156.5	-50.8	167.3	0	0	0	113.8	L492	L492-I494 PolarHBondContact O-N 3.36Å
495	G	44.9	Very low	48.2	Very low	34 Å²	34	64.1 Å²	64.1	35%	0.351	34%	0.336	S	S	.	.	S	Bend	trans	162.4	160.8	169	0	0	0	0	0	114	S493 G497	S493-G495 PolarHBondContact O-N 3.18Å; G495-G497 PolarHBondContact O-N 2.85Å
496	S	45.4	Very low	49.2	Very low	59 Å²	59	57.1 Å²	57.1	41%	0.413	30%	0.302	S	S	.	.			trans	-72.5	1.6	176.4	63.2	0	0	0	0	114.2	I440	I440-S496 WeakPolarHBondContact CD1-O 3.26Å; I440-S496 WeakPolarHBondContact CG1-O 3.42Å
497	G	51.8	Low	50.7	Low	31 Å²	31	49.8 Å²	49.8	32%	0.32	27%	0.273	S	S	.	.			trans	54.3	-178.2	-167.4	0	0	0	0	0	113.9	G495 V510	G495-G497 PolarHBondContact O-N 2.85Å; G497-V510 CarbonylContact C-O 3.56Å; G497-V510 WeakPolarHBondContact CA-O 3.48Å
498	L	55	Low	52	Low	78 Å²	78	44.2 Å²	44.2	41%	0.408	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	113.4	171.7	-177.1	81.4	0	0	0	109	V510 F722	L498-V510 HydrophobicContact CB-CB 4.25Å; L498-V510 PolarHBondContact N-O 2.86Å; L498-V510 PolarHBondContact O-N 3.39Å; L498-F722 HydrophobicContact CD2-CZ 4.01Å
499	L	59.8	Low	53.4	Low	48 Å²	48	39.6 Å²	39.6	25%	0.251	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.3	168.6	-175.8	70.8	0	0	0	109.9	I440 V442 Y507 L523	I440-L499 HydrophobicContact CG2-CB 4.21Å; I440-L499 HydrophobicContact CG2-CD2 4.25Å; V442-L499 HydrophobicContact CB-CD1 4.46Å; V442-L499 HydrophobicContact CB-CD2 4.36Å; V442-L499 HydrophobicContact CG1-CD1 4.13Å; V442-L499 HydrophobicContact CG1-CD2 4.4Å; V442-L499 HydrophobicContact CG2-CD1 3.64Å; V442-L499 HydrophobicContact CG2-CD2 3.89Å; V442-L499 HydrophobicContact CG2-CG 4.42Å; L499-Y507 HydrophobicContact CD1-CD1 4.38Å; L499-Y507 HydrophobicContact CD2-CD1 4.47Å; L499-Y507 HydrophobicContact CG-CD1 4.41Å; L499-L523 HydrophobicContact CD1-CD1 3.72Å
500	Y	56.6	Low	54.3	Low	13 Å²	13	40 Å²	40	5%	0.051	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	158.8	168.2	71.1	-84.5	0	0	0	110.3	R502 Y507 W508 V510 I715 F722	Y500-R502 HydrophobicContact CD2-CG 4.42Å; Y500-R502 HydrophobicContact CE2-CG 3.93Å; Y500-Y507 CarbonylContact O-C 3.33Å; Y500-Y507 WeakPolarHBondContact O-CA 3.24Å; Y500-W508 HydrophobicContact CD1-CB 3.83Å; Y500-W508 HydrophobicContact CD2-CB 4.05Å; Y500-W508 HydrophobicContact CE1-CB 3.29Å; Y500-W508 HydrophobicContact CE1-CG 4.23Å; Y500-W508 HydrophobicContact CE2-CB 3.52Å; Y500-W508 AromaticContact CE2-CG 3.79Å; Y500-W508 HydrophobicContact CE2-CG 3.79Å; Y500-W508 HydrophobicContact CG-CB 4.19Å; Y500-W508 AromaticContact CZ-CG 3.59Å; Y500-W508 PolarHBondContact N-O 3.35Å; Y500-W508 PolarHBondContact O-N 2.87Å; Y500-W508 VanDerWaalsContact O-O 3.09Å; Y500-W508 WeakPolarHBondContact OH-CB 3.46Å; Y500-V510 HydrophobicContact CD1-CG2 3.93Å; Y500-V510 HydrophobicContact CE1-CG2 3.43Å; Y500-V510 VanDerWaalsContact CE1-CG2 3.43Å; Y500-I715 HydrophobicContact CD2-CD1 3.5Å; Y500-I715 VanDerWaalsContact CD2-CD1 3.5Å; Y500-I715 HydrophobicContact CE2-CD1 3.41Å; Y500-I715 VanDerWaalsContact CE2-CD1 3.41Å; Y500-I715 HydrophobicContact CG-CD1 4.47Å; Y500-F722 HydrophobicContact CD1-CZ 4.15Å; Y500-F722 HydrophobicContact CE1-CE2 4.29Å; Y500-F722 HydrophobicContact CE1-CZ 4.11Å
501	Q	60	Low	55.2	Low	27 Å²	27	38.3 Å²	38.3	13%	0.126	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	167.5	174.9	-167.6	-176.3	25	0	0	109	T506 Y507 W673	Q501-T506 CarbonylContact C-O 3.56Å; Q501-T506 VanDerWaalsContact C-O 3.27Å; Q501-T506 WeakPolarHBondContact CA-O 3.48Å; Q501-Y507 HydrophobicContact CB-CD1 3.67Å; Q501-Y507 HydrophobicContact CB-CE1 3.58Å; Q501-Y507 HydrophobicContact CB-CG 4.36Å; Q501-Y507 VanDerWaalsContact CD-CZ 3.44Å; Q501-Y507 HydrophobicContact CG-CD1 3.86Å; Q501-Y507 HydrophobicContact CG-CD2 4.23Å; Q501-Y507 HydrophobicContact CG-CE1 3.63Å; Q501-Y507 HydrophobicContact CG-CE2 4.04Å; Q501-Y507 HydrophobicContact CG-CG 4.16Å; Q501-Y507 VanDerWaalsContact NE2-CZ 3.27Å; Q501-Y507 PolarHBondContact NE2-OH 2.84Å; Q501-Y507 VanDerWaalsContact NE2-OH 3.09Å; Q501-W673 WeakPolarHBondContact O-CZ2 3.44Å; Q501-W673 PolarHBondContact O-NE1 2.91Å
502	R	53.3	Low	55.7	Low	26 Å²	26	37.7 Å²	37.7	10%	0.098	21%	0.211	C	C	.	.			trans	-121.7	172.4	166.2	-75.3	-178.3	65.5	178.3	-14	109.8	Y500 D504 Y505 T506 W508 I659 S717	Y500-R502 HydrophobicContact CD2-CG 4.42Å; Y500-R502 HydrophobicContact CE2-CG 3.93Å; R502-D504 VanDerWaalsContact C-N 3.3Å; R502-D504 WeakPolarHBondContact CB-OD1 3.38Å; R502-D504 PolarHBondContact O-N 3.24Å; R502-Y505 VanDerWaalsContact O-CA 3.23Å; R502-Y505 WeakPolarHBondContact O-CA 3.38Å; R502-Y505 PolarHBondContact O-N 2.82Å; R502-T506 PolarHBondContact N-O 3.23Å; R502-W508 VanDerWaalsContact CD-CD1 3.48Å; R502-I659 HydrophobicContact CB-CD1 4.31Å; R502-S717 VanDerWaalsContact NH2-C 3.35Å; R502-S717 PolarHBondContact NH2-O 2.93Å
503	E	50.2	Low	56.1	Low	32 Å²	32	37.4 Å²	37.4	15%	0.15	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.3	179.8	-78.5	175.1	-172.7	0	0	116	Y505 I659 W673 N675	E503-Y505 WeakPolarHBondContact O-CD2 3.34Å; E503-Y505 VanDerWaalsContact O-CE2 3.23Å; E503-Y505 WeakPolarHBondContact O-CE2 3.26Å; E503-Y505 PolarHBondContact O-N 2.78Å; E503-Y505 VanDerWaalsContact O-N 3.08Å; E503-I659 HydrophobicContact CB-CD1 4.09Å; E503-I659 HydrophobicContact CB-CG1 4.26Å; E503-I659 HydrophobicContact CB-CG2 4.35Å; E503-I659 HydrophobicContact CG-CB 4.28Å; E503-I659 HydrophobicContact CG-CD1 4.28Å; E503-I659 HydrophobicContact CG-CG1 3.95Å; E503-I659 HydrophobicContact CG-CG2 3.6Å; E503-W673 HydrophobicContact CB-CB 4.36Å; E503-W673 HydrophobicContact CG-CB 3.36Å; E503-W673 HydrophobicContact CG-CG 4.12Å; E503-N675 WeakPolarHBondContact OE1-CA 2.84Å; E503-N675 VanDerWaalsContact OE1-CG 3.22Å; E503-N675 PolarHBondContact OE1-N 2.81Å; E503-N675 PolarHBondContact OE1-ND2 2.76Å; E503-N675 PolarHBondContact OE2-ND2 3.34Å; E503-N675 PolarHBondContact OE2-OD1 3.39Å
504	D	58.5	Low	56.5	Low	64 Å²	64	39 Å²	39	34%	0.342	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	8.9	168	64.1	-9.4	0	0	0	111.6	R502 T506	R502-D504 VanDerWaalsContact C-N 3.3Å; R502-D504 WeakPolarHBondContact CB-OD1 3.38Å; R502-D504 PolarHBondContact O-N 3.24Å; D504-T506 HydrophobicContact CB-CG2 4.38Å; D504-T506 PolarHBondContact O-N 3.48Å; D504-T506 VanDerWaalsContact OD1-CB 3.28Å; D504-T506 WeakPolarHBondContact OD1-CB 3.37Å; D504-T506 WeakPolarHBondContact OD1-CG2 3.28Å; D504-T506 PolarHBondContact OD1-N 3.09Å; D504-T506 PolarHBondContact OD1-OG1 2.82Å; D504-T506 WeakPolarHBondContact OD2-CG2 3.47Å; D504-T506 PolarHBondContact OD2-OG1 2.04Å
505	Y	62.6	Low	56.9	Low	70 Å²	70	37.6 Å²	37.6	28%	0.275	20%	0.204	S	C	.	.	S	Bend	trans	61.5	17.4	-175	-60.5	-97.6	0	0	0	112.5	K447 R502 E503	K447-Y505 HydrophobicContact CB-CD1 4.13Å; K447-Y505 HydrophobicContact CB-CD2 3.56Å; K447-Y505 HydrophobicContact CB-CE1 4.42Å; K447-Y505 HydrophobicContact CB-CE2 3.94Å; K447-Y505 HydrophobicContact CB-CG 3.7Å; K447-Y505 HydrophobicContact CD-CD2 3.71Å; K447-Y505 HydrophobicContact CD-CE1 4.37Å; K447-Y505 HydrophobicContact CD-CE2 3.19Å; K447-Y505 VanDerWaalsContact CE-CE2 3.46Å; K447-Y505 VanDerWaalsContact CE-CZ 3.4Å; K447-Y505 WeakPolarHBondContact CE-OH 3.32Å; K447-Y505 HydrophobicContact CG-CD1 4.07Å; K447-Y505 HydrophobicContact CG-CD2 3.68Å; K447-Y505 HydrophobicContact CG-CE1 3.85Å; K447-Y505 HydrophobicContact CG-CE2 3.48Å; K447-Y505 VanDerWaalsContact CG-CE2 3.48Å; K447-Y505 HydrophobicContact CG-CG 3.99Å; K447-Y505 VanDerWaalsContact NZ-CE2 3.34Å; K447-Y505 PolarHBondContact NZ-OH 2.75Å; R502-Y505 VanDerWaalsContact O-CA 3.23Å; R502-Y505 WeakPolarHBondContact O-CA 3.38Å; R502-Y505 PolarHBondContact O-N 2.82Å; E503-Y505 WeakPolarHBondContact O-CD2 3.34Å; E503-Y505 VanDerWaalsContact O-CE2 3.23Å; E503-Y505 WeakPolarHBondContact O-CE2 3.26Å; E503-Y505 PolarHBondContact O-N 2.78Å; E503-Y505 VanDerWaalsContact O-N 3.08Å
506	T	64.5	Low	57	Low	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.			trans	-79.8	131.6	174.1	62.7	0	0	0	0	110.7	Q446 Q501 R502 D504 W508 H524	Q446-T506 HydrophobicContact CG-CG2 4.44Å; Q446-T506 VanDerWaalsContact NE2-CG2 3.3Å; Q501-T506 CarbonylContact C-O 3.56Å; Q501-T506 VanDerWaalsContact C-O 3.27Å; Q501-T506 WeakPolarHBondContact CA-O 3.48Å; R502-T506 PolarHBondContact N-O 3.23Å; D504-T506 HydrophobicContact CB-CG2 4.38Å; D504-T506 PolarHBondContact O-N 3.48Å; D504-T506 VanDerWaalsContact OD1-CB 3.28Å; D504-T506 WeakPolarHBondContact OD1-CB 3.37Å; D504-T506 WeakPolarHBondContact OD1-CG2 3.28Å; D504-T506 PolarHBondContact OD1-N 3.09Å; D504-T506 PolarHBondContact OD1-OG1 2.82Å; D504-T506 WeakPolarHBondContact OD2-CG2 3.47Å; D504-T506 PolarHBondContact OD2-OG1 2.04Å; T506-W508 PolarHBondContact OG1-NE1 3.16Å; T506-W508 VanDerWaalsContact OG1-NE1 3.07Å; T506-H524 HydrophobicContact CG2-CB 4.44Å
507	Y	71.2	Confident	57.2	Low	29 Å²	29	36.4 Å²	36.4	11%	0.114	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	144.4	167.8	-65.2	-91.7	0	0	0	111.4	V442 P443 L499 Y500 Q501 L523 H524	V442-Y507 HydrophobicContact CG1-CD1 4.05Å; V442-Y507 HydrophobicContact CG1-CD2 3.97Å; V442-Y507 HydrophobicContact CG1-CG 3.61Å; P443-Y507 HydrophobicContact CB-CE1 4.44Å; P443-Y507 HydrophobicContact CB-CE2 4.07Å; P443-Y507 WeakPolarHBondContact CB-OH 3.13Å; P443-Y507 HydrophobicContact CG-CE1 3.81Å; P443-Y507 HydrophobicContact CG-CE2 4.32Å; P443-Y507 VanDerWaalsContact CG-OH 3.28Å; P443-Y507 WeakPolarHBondContact CG-OH 3.13Å; P443-Y507 WeakPolarHBondContact O-CD2 3Å; P443-Y507 WeakPolarHBondContact O-CE2 2.99Å; L499-Y507 HydrophobicContact CD1-CD1 4.38Å; L499-Y507 HydrophobicContact CD2-CD1 4.47Å; L499-Y507 HydrophobicContact CG-CD1 4.41Å; Y500-Y507 CarbonylContact O-C 3.33Å; Y500-Y507 WeakPolarHBondContact O-CA 3.24Å; Q501-Y507 HydrophobicContact CB-CD1 3.67Å; Q501-Y507 HydrophobicContact CB-CE1 3.58Å; Q501-Y507 HydrophobicContact CB-CG 4.36Å; Q501-Y507 VanDerWaalsContact CD-CZ 3.44Å; Q501-Y507 HydrophobicContact CG-CD1 3.86Å; Q501-Y507 HydrophobicContact CG-CD2 4.23Å; Q501-Y507 HydrophobicContact CG-CE1 3.63Å; Q501-Y507 HydrophobicContact CG-CE2 4.04Å; Q501-Y507 HydrophobicContact CG-CG 4.16Å; Q501-Y507 VanDerWaalsContact NE2-CZ 3.27Å; Q501-Y507 PolarHBondContact NE2-OH 2.84Å; Q501-Y507 VanDerWaalsContact NE2-OH 3.09Å; Y507-L523 WeakPolarHBondContact O-CB 3.12Å; Y507-L523 PolarHBondContact O-N 3.22Å; Y507-H524 AromaticContact CD2-NE2 3.31Å; Y507-H524 VanDerWaalsContact CD2-NE2 3.31Å; Y507-H524 WeakPolarHBondContact CD2-NE2 3.15Å; Y507-H524 PolarHBondContact N-CD2 3.04Å; Y507-H524 VanDerWaalsContact N-CD2 3.3Å
508	W	65.1	Low	57.4	Low	7 Å²	7	36.9 Å²	36.9	3%	0.027	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.3	179	-74.7	72.7	0	0	0	109	Y500 R502 T506 H520 L521 R522 V528 I530	Y500-W508 HydrophobicContact CD1-CB 3.83Å; Y500-W508 HydrophobicContact CD2-CB 4.05Å; Y500-W508 HydrophobicContact CE1-CB 3.29Å; Y500-W508 HydrophobicContact CE1-CG 4.23Å; Y500-W508 HydrophobicContact CE2-CB 3.52Å; Y500-W508 AromaticContact CE2-CG 3.79Å; Y500-W508 HydrophobicContact CE2-CG 3.79Å; Y500-W508 HydrophobicContact CG-CB 4.19Å; Y500-W508 AromaticContact CZ-CG 3.59Å; Y500-W508 PolarHBondContact N-O 3.35Å; Y500-W508 PolarHBondContact O-N 2.87Å; Y500-W508 VanDerWaalsContact O-O 3.09Å; Y500-W508 WeakPolarHBondContact OH-CB 3.46Å; R502-W508 VanDerWaalsContact CD-CD1 3.48Å; T506-W508 PolarHBondContact OG1-NE1 3.16Å; T506-W508 VanDerWaalsContact OG1-NE1 3.07Å; W508-H520 HydrophobicContact CE3-CB 4.17Å; W508-H520 HydrophobicContact CZ3-CB 4.18Å; W508-L521 CarbonylContact C-O 3.51Å; W508-L521 VanDerWaalsContact CA-O 3.28Å; W508-L521 WeakPolarHBondContact CA-O 3.38Å; W508-R522 HydrophobicContact CD2-CB 3.86Å; W508-R522 HydrophobicContact CD2-CG 4.4Å; W508-R522 HydrophobicContact CE3-CB 4Å; W508-R522 HydrophobicContact CH2-CB 3.81Å; W508-R522 HydrophobicContact CZ2-CB 3.64Å; W508-R522 HydrophobicContact CZ2-CG 3.93Å; W508-R522 HydrophobicContact CZ3-CB 3.97Å; W508-V528 HydrophobicContact CH2-CB 4.28Å; W508-V528 HydrophobicContact CH2-CG1 4.21Å; W508-I530 HydrophobicContact CH2-CD1 4.12Å; W508-I530 HydrophobicContact CZ3-CD1 4.01Å; W508-I530 HydrophobicContact CZ3-CG1 4.45Å
509	L	68.6	Low	57.5	Low	3 Å²	3	33.2 Å²	33.2	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.9	179.5	179.5	61.3	0	0	0	109	I440 V456 F511 L521 L523	I440-L509 HydrophobicContact CD1-CD1 3.28Å; I440-L509 HydrophobicContact CD1-CD2 3.76Å; I440-L509 HydrophobicContact CD1-CG 4.14Å; V456-L509 HydrophobicContact CG1-CD2 3.82Å; L509-F511 HydrophobicContact CD2-CD1 3.97Å; L509-F511 HydrophobicContact CD2-CE1 3.99Å; L509-F511 HydrophobicContact CG-CD1 3.75Å; L509-F511 HydrophobicContact CG-CE1 4.04Å; L509-L521 PolarHBondContact N-O 2.88Å; L509-L521 PolarHBondContact O-N 3.23Å; L509-L523 HydrophobicContact CB-CD1 4.29Å; L509-L523 HydrophobicContact CB-CD2 3.91Å; L509-L523 HydrophobicContact CB-CG 4.26Å; L509-L523 HydrophobicContact CD2-CD2 4.48Å
510	V	59.7	Low	57.6	Low	12 Å²	12	31.8 Å²	31.8	7%	0.073	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.1	176	-168.6	0	0	0	0	109.1	G497 L498 Y500 L518 I519 F722	G497-V510 CarbonylContact C-O 3.56Å; G497-V510 WeakPolarHBondContact CA-O 3.48Å; L498-V510 HydrophobicContact CB-CB 4.25Å; L498-V510 PolarHBondContact N-O 2.86Å; L498-V510 PolarHBondContact O-N 3.39Å; Y500-V510 HydrophobicContact CD1-CG2 3.93Å; Y500-V510 HydrophobicContact CE1-CG2 3.43Å; Y500-V510 VanDerWaalsContact CE1-CG2 3.43Å; V510-L518 HydrophobicContact CG1-CD1 3.45Å; V510-L518 VanDerWaalsContact CG1-CD1 3.45Å; V510-L518 HydrophobicContact CG1-CD2 3.93Å; V510-L518 HydrophobicContact CG1-CG 3.69Å; V510-I519 WeakPolarHBondContact CA-O 3.35Å; V510-F722 HydrophobicContact CG2-CE2 4.25Å
511	F	59.9	Low	58.2	Low	19 Å²	19	31.1 Å²	31.1	8%	0.083	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	169.8	176.5	51.6	-83.4	0	0	0	109.8	T458 V464 L482 L492 L509 I519 L521	T458-F511 HydrophobicContact CG2-CE2 4.41Å; V464-F511 HydrophobicContact CG2-CZ 4.1Å; L482-F511 HydrophobicContact CD1-CE2 3.5Å; L482-F511 HydrophobicContact CD1-CZ 3.65Å; L482-F511 HydrophobicContact CD2-CZ 4.06Å; L482-F511 HydrophobicContact CG-CZ 4.49Å; L492-F511 HydrophobicContact CD2-CD2 3.49Å; L492-F511 VanDerWaalsContact CD2-CD2 3.49Å; L492-F511 HydrophobicContact CD2-CE2 3.41Å; L492-F511 VanDerWaalsContact CD2-CE2 3.41Å; L509-F511 HydrophobicContact CD2-CD1 3.97Å; L509-F511 HydrophobicContact CD2-CE1 3.99Å; L509-F511 HydrophobicContact CG-CD1 3.75Å; L509-F511 HydrophobicContact CG-CE1 4.04Å; F511-I519 HydrophobicContact CD2-CB 4.06Å; F511-I519 HydrophobicContact CD2-CD1 4.28Å; F511-I519 HydrophobicContact CE1-CB 4.45Å; F511-I519 HydrophobicContact CE1-CG2 4.13Å; F511-I519 HydrophobicContact CE2-CB 3.62Å; F511-I519 HydrophobicContact CE2-CD1 3.71Å; F511-I519 HydrophobicContact CE2-CG1 4.23Å; F511-I519 HydrophobicContact CE2-CG2 3.67Å; F511-I519 HydrophobicContact CZ-CB 3.87Å; F511-I519 HydrophobicContact CZ-CG2 3.44Å; F511-I519 VanDerWaalsContact CZ-CG2 3.44Å; F511-I519 PolarHBondContact N-O 3.19Å; F511-I519 VanDerWaalsContact N-O 3.09Å; F511-I519 PolarHBondContact O-N 2.93Å; F511-L521 HydrophobicContact CE1-CB 4.11Å
512	T	53.7	Low	58.6	Low	54 Å²	54	31.9 Å²	31.9	33%	0.331	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	150.8	177.4	48	0	0	0	0	110.4	S493 N517 L518	S493-T512 PolarHBondContact N-O 2.94Å; S493-T512 WeakPolarHBondContact OG-CB 3.36Å; S493-T512 PolarHBondContact OG-O 3.17Å; S493-T512 PolarHBondContact OG-OG1 2.78Å; T512-N517 VanDerWaalsContact CA-O 3.3Å; T512-N517 WeakPolarHBondContact CA-O 3.13Å; T512-L518 HydrophobicContact CG2-CD1 3.83Å
513	D	54.5	Low	59.6	Low	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-86.4	176.8	164.1	68.7	9.4	0	0	0	111.4	V489 L492 S493 Y515 T516 N517	V489-D513 HydrophobicContact CG1-CB 3.73Å; L492-D513 HydrophobicContact CD2-CB 4.13Å; S493-D513 WeakPolarHBondContact CB-O 3.45Å; S493-D513 PolarHBondContact OG-O 2.94Å; D513-Y515 PolarHBondContact O-N 3.3Å; D513-Y515 VanDerWaalsContact OD1-CA 3.26Å; D513-Y515 WeakPolarHBondContact OD1-CA 3.29Å; D513-Y515 WeakPolarHBondContact OD1-CB 3.41Å; D513-Y515 PolarHBondContact OD1-N 3.07Å; D513-T516 WeakPolarHBondContact O-CA 3.12Å; D513-T516 PolarHBondContact O-N 3.3Å; D513-T516 PolarHBondContact OD1-N 3.04Å; D513-N517 PolarHBondContact N-O 3.21Å; D513-N517 VanDerWaalsContact N-O 3.16Å; D513-N517 WeakPolarHBondContact OD1-CB 2.77Å; D513-N517 PolarHBondContact OD1-N 3.46Å; D513-N517 PolarHBondContact OD1-ND2 2.85Å; D513-N517 WeakPolarHBondContact OD2-CB 3.1Å; D513-N517 PolarHBondContact OD2-ND2 3.49Å
514	V	49.8	Very low	60.5	Low	67 Å²	67	29.5 Å²	29.5	41%	0.406	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.8	173.4	-81.6	0	0	0	0	113.8	N491 T516	N491-V514 HydrophobicContact CB-CB 4.02Å; N491-V514 HydrophobicContact CB-CG1 3.23Å; N491-V514 HydrophobicContact CB-CG2 3.73Å; N491-V514 WeakPolarHBondContact O-CB 3.35Å; N491-V514 VanDerWaalsContact O-CG1 3.25Å; N491-V514 WeakPolarHBondContact O-CG1 3.49Å; N491-V514 WeakPolarHBondContact O-CG2 3.24Å; N491-V514 PolarHBondContact O-N 2.88Å; V514-T516 PolarHBondContact O-N 3.16Å
515	Y	48.8	Very low	60.8	Low	116 Å²	116	30.4 Å²	30.4	46%	0.455	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	6.5	174.9	-56.5	-67.6	0	0	0	112.2	H487 D513 N517	H487-Y515 HydrophobicContact CB-CE2 4.22Å; D513-Y515 PolarHBondContact O-N 3.3Å; D513-Y515 VanDerWaalsContact OD1-CA 3.26Å; D513-Y515 WeakPolarHBondContact OD1-CA 3.29Å; D513-Y515 WeakPolarHBondContact OD1-CB 3.41Å; D513-Y515 PolarHBondContact OD1-N 3.07Å; Y515-N517 VanDerWaalsContact C-N 3.26Å; Y515-N517 PolarHBondContact O-N 2.95Å
516	T	47.8	Very low	60.8	Low	52 Å²	52	30.6 Å²	30.6	32%	0.319	16%	0.159	S	C	.	.			trans	65.4	17.9	179.4	71.2	0	0	0	0	115.7	D513 V514 L518 L570	D513-T516 WeakPolarHBondContact O-CA 3.12Å; D513-T516 PolarHBondContact O-N 3.3Å; D513-T516 PolarHBondContact OD1-N 3.04Å; V514-T516 PolarHBondContact O-N 3.16Å; T516-L518 PolarHBondContact O-N 3.24Å; T516-L570 HydrophobicContact CG2-CD1 3.73Å; T516-L570 HydrophobicContact CG2-CD2 4.02Å; T516-L570 HydrophobicContact CG2-CG 4.37Å; T516-L570 WeakPolarHBondContact OG1-CD1 3.31Å
517	N	50.6	Low	60.7	Low	15 Å²	15	31.8 Å²	31.8	8%	0.08	17%	0.165	C	C	.	.			trans	-68.6	125.2	170.9	-60.6	-59.8	0	0	0	109.5	T512 D513 Y515 N533	T512-N517 VanDerWaalsContact CA-O 3.3Å; T512-N517 WeakPolarHBondContact CA-O 3.13Å; D513-N517 PolarHBondContact N-O 3.21Å; D513-N517 VanDerWaalsContact N-O 3.16Å; D513-N517 WeakPolarHBondContact OD1-CB 2.77Å; D513-N517 PolarHBondContact OD1-N 3.46Å; D513-N517 PolarHBondContact OD1-ND2 2.85Å; D513-N517 WeakPolarHBondContact OD2-CB 3.1Å; D513-N517 PolarHBondContact OD2-ND2 3.49Å; Y515-N517 VanDerWaalsContact C-N 3.26Å; Y515-N517 PolarHBondContact O-N 2.95Å; N517-N533 PolarHBondContact OD1-ND2 2.77Å
518	L	54.2	Low	60.2	Low	41 Å²	41	33 Å²	33	22%	0.215	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	125.7	174.4	-162.5	77	0	0	0	109.9	V510 T512 T516 H520 L575	V510-L518 HydrophobicContact CG1-CD1 3.45Å; V510-L518 VanDerWaalsContact CG1-CD1 3.45Å; V510-L518 HydrophobicContact CG1-CD2 3.93Å; V510-L518 HydrophobicContact CG1-CG 3.69Å; T512-L518 HydrophobicContact CG2-CD1 3.83Å; T516-L518 PolarHBondContact O-N 3.24Å; L518-H520 WeakPolarHBondContact CD2-NE2 3.41Å; L518-L575 HydrophobicContact CB-CD1 3.58Å; L518-L575 HydrophobicContact CB-CD2 4.44Å; L518-L575 HydrophobicContact CD2-CD1 3.28Å; L518-L575 HydrophobicContact CG-CD1 4Å
519	I	58.9	Low	60	Low	2 Å²	2	35.9 Å²	35.9	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.2	179.1	-60.6	169.7	0	0	0	107.6	L482 L492 V510 F511 I529	L482-I519 HydrophobicContact CD1-CD1 4.37Å; L482-I519 HydrophobicContact CD2-CG2 3.94Å; L492-I519 HydrophobicContact CD2-CD1 4.05Å; V510-I519 WeakPolarHBondContact CA-O 3.35Å; F511-I519 HydrophobicContact CD2-CB 4.06Å; F511-I519 HydrophobicContact CD2-CD1 4.28Å; F511-I519 HydrophobicContact CE1-CB 4.45Å; F511-I519 HydrophobicContact CE1-CG2 4.13Å; F511-I519 HydrophobicContact CE2-CB 3.62Å; F511-I519 HydrophobicContact CE2-CD1 3.71Å; F511-I519 HydrophobicContact CE2-CG1 4.23Å; F511-I519 HydrophobicContact CE2-CG2 3.67Å; F511-I519 HydrophobicContact CZ-CB 3.87Å; F511-I519 HydrophobicContact CZ-CG2 3.44Å; F511-I519 VanDerWaalsContact CZ-CG2 3.44Å; F511-I519 PolarHBondContact N-O 3.19Å; F511-I519 VanDerWaalsContact N-O 3.09Å; F511-I519 PolarHBondContact O-N 2.93Å; I519-I529 HydrophobicContact CG2-CG2 4.05Å
520	H	61.6	Low	59.4	Low	17 Å²	17	38.3 Å²	38.3	8%	0.079	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.9	171.2	-69.7	-133.5	0	0	0	108.7	W508 L518 I529 I530	W508-H520 HydrophobicContact CE3-CB 4.17Å; W508-H520 HydrophobicContact CZ3-CB 4.18Å; L518-H520 WeakPolarHBondContact CD2-NE2 3.41Å; H520-I529 CarbonylContact O-C 3.53Å; H520-I529 WeakPolarHBondContact O-CA 3.01Å; H520-I530 HydrophobicContact CB-CB 4.11Å; H520-I530 PolarHBondContact N-O 3.22Å; H520-I530 PolarHBondContact O-N 3.27Å
521	L	68.1	Low	59.1	Low	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116	177	179.4	67.5	0	0	0	109.9	V464 Y478 V480 W508 L509 F511 L523 I529	V464-L521 HydrophobicContact CB-CD2 3.95Å; V464-L521 HydrophobicContact CG1-CD2 3.69Å; V464-L521 HydrophobicContact CG2-CD2 3.89Å; Y478-L521 HydrophobicContact CE1-CD2 4.24Å; V480-L521 HydrophobicContact CG1-CD1 4.39Å; W508-L521 CarbonylContact C-O 3.51Å; W508-L521 VanDerWaalsContact CA-O 3.28Å; W508-L521 WeakPolarHBondContact CA-O 3.38Å; L509-L521 PolarHBondContact N-O 2.88Å; L509-L521 PolarHBondContact O-N 3.23Å; F511-L521 HydrophobicContact CE1-CB 4.11Å; L521-L523 HydrophobicContact CD2-CD2 3.74Å; L521-L523 HydrophobicContact CG-CD2 4Å; L521-L523 PolarHBondContact O-N 3.3Å; L521-I529 HydrophobicContact CD1-CG1 3.85Å
522	R	69.4	Low	58.4	Low	42 Å²	42	40.2 Å²	40.2	16%	0.158	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.2	163.8	-180	-179.2	162.2	154.3	6.4	108.5	W508 H524 P526 L527 V528	W508-R522 HydrophobicContact CD2-CB 3.86Å; W508-R522 HydrophobicContact CD2-CG 4.4Å; W508-R522 HydrophobicContact CE3-CB 4Å; W508-R522 HydrophobicContact CH2-CB 3.81Å; W508-R522 HydrophobicContact CZ2-CB 3.64Å; W508-R522 HydrophobicContact CZ2-CG 3.93Å; W508-R522 HydrophobicContact CZ3-CB 3.97Å; R522-H524 PolarHBondContact NE-O 3.36Å; R522-P526 WeakPolarHBondContact CD-O 3.41Å; R522-P526 PolarHBondContact NE-O 3.22Å; R522-L527 VanDerWaalsContact O-CD2 3.31Å; R522-L527 WeakPolarHBondContact O-CD2 3.41Å; R522-V528 HydrophobicContact CB-CB 3.91Å; R522-V528 PolarHBondContact N-O 3.39Å
523	L	73.1	Confident	57.7	Low	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.			trans	-81.2	-24.7	-171.1	-59.6	177.7	0	0	0	114.1	V442 W454 V456 Y478 L499 Y507 L509 L521	V442-L523 HydrophobicContact CB-CD1 4.17Å; V442-L523 HydrophobicContact CG1-CD1 3.66Å; V442-L523 HydrophobicContact CG2-CD1 3.61Å; W454-L523 WeakPolarHBondContact CZ3-O 3.11Å; V456-L523 HydrophobicContact CG1-CD2 4.11Å; V456-L523 HydrophobicContact CG2-CD1 4.34Å; V456-L523 HydrophobicContact CG2-CD2 4.34Å; Y478-L523 WeakPolarHBondContact CE2-O 3.2Å; Y478-L523 WeakPolarHBondContact OH-CA 3.32Å; Y478-L523 WeakPolarHBondContact OH-CD2 3.4Å; L499-L523 HydrophobicContact CD1-CD1 3.72Å; Y507-L523 WeakPolarHBondContact O-CB 3.12Å; Y507-L523 PolarHBondContact O-N 3.22Å; L509-L523 HydrophobicContact CB-CD1 4.29Å; L509-L523 HydrophobicContact CB-CD2 3.91Å; L509-L523 HydrophobicContact CB-CG 4.26Å; L509-L523 HydrophobicContact CD2-CD2 4.48Å; L521-L523 HydrophobicContact CD2-CD2 3.74Å; L521-L523 HydrophobicContact CG-CD2 4Å; L521-L523 PolarHBondContact O-N 3.3Å
524	H	70	Confident	56.9	Low	9 Å²	9	47.4 Å²	47.4	4%	0.042	25%	0.245	C	C	.	.	S	Bend	trans	-103.4	145.8	180	-59	-77.6	0	0	0	112.5	Q446 W454 T506 Y507 R522 P526	Q446-H524 HydrophobicContact CG-CB 4.39Å; W454-H524 AromaticContact CH2-CE1 3.67Å; W454-H524 AromaticContact CH2-ND1 3.3Å; W454-H524 VanDerWaalsContact CH2-ND1 3.3Å; W454-H524 WeakPolarHBondContact CH2-ND1 3.3Å; W454-H524 AromaticContact CZ3-CE1 3.56Å; W454-H524 AromaticContact CZ3-ND1 3.48Å; W454-H524 WeakPolarHBondContact CZ3-ND1 3.47Å; T506-H524 HydrophobicContact CG2-CB 4.44Å; Y507-H524 AromaticContact CD2-NE2 3.31Å; Y507-H524 VanDerWaalsContact CD2-NE2 3.31Å; Y507-H524 WeakPolarHBondContact CD2-NE2 3.15Å; Y507-H524 PolarHBondContact N-CD2 3.04Å; Y507-H524 VanDerWaalsContact N-CD2 3.3Å; R522-H524 PolarHBondContact NE-O 3.36Å; H524-P526 CarbonylContact O-C 3.45Å
525	N	64.4	Low	56	Low	82 Å²	82	51 Å²	51	44%	0.439	26%	0.262	S	S	.	.	S	Bend	trans	-54	138.7	177	-80.7	-32.1	0	0	0	113.4	P476	P476-N525 PolarHBondContact O-ND2 3.2Å
526	P	62.4	Low	55	Low	75 Å²	75	52 Å²	52	49%	0.487	28%	0.275	S	S	.	.	S	Bend	cis	-68.3	135.8	-8.2	30.1	-34.8	0	0	0	111.4	R522 H524	R522-P526 WeakPolarHBondContact CD-O 3.41Å; R522-P526 PolarHBondContact NE-O 3.22Å; H524-P526 CarbonylContact O-C 3.45Å
527	L	62.9	Low	54	Low	25 Å²	25	56.7 Å²	56.7	13%	0.131	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-64.1	134.2	174	-70.2	159.1	0	0	0	109.5	G477 Y478 V480 R522	G477-L527 VanDerWaalsContact C-CD1 3.49Å; G477-L527 WeakPolarHBondContact O-CD1 3.33Å; Y478-L527 HydrophobicContact CD2-CD2 4.47Å; Y478-L527 HydrophobicContact CE2-CD2 3.71Å; V480-L527 HydrophobicContact CG2-CD1 3.41Å; V480-L527 VanDerWaalsContact CG2-CD1 3.41Å; V480-L527 HydrophobicContact CG2-CD2 4.1Å; V480-L527 HydrophobicContact CG2-CG 4.28Å; R522-L527 VanDerWaalsContact O-CD2 3.31Å; R522-L527 WeakPolarHBondContact O-CD2 3.41Å
528	V	61.4	Low	52.9	Low	53 Å²	53	64.3 Å²	64.3	32%	0.321	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.8	178.4	179.7	0	0	0	0	107.7	W508 R522 I530	W508-V528 HydrophobicContact CH2-CB 4.28Å; W508-V528 HydrophobicContact CH2-CG1 4.21Å; R522-V528 HydrophobicContact CB-CB 3.91Å; R522-V528 PolarHBondContact N-O 3.39Å; V528-I530 HydrophobicContact CG1-CD1 4.47Å; V528-I530 HydrophobicContact CG1-CG1 3.99Å
529	I	61.1	Low	51.6	Low	69 Å²	69	69.8 Å²	69.8	35%	0.354	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.9	173.2	-50.2	172.2	0	0	0	107	V480 S481 L482 I519 H520 L521	V480-I529 HydrophobicContact CG1-CD1 3.51Å; V480-I529 HydrophobicContact CG1-CG1 4.19Å; S481-I529 WeakPolarHBondContact O-CD1 3.34Å; L482-I529 HydrophobicContact CD2-CD1 4.32Å; L482-I529 HydrophobicContact CD2-CG2 4.35Å; I519-I529 HydrophobicContact CG2-CG2 4.05Å; H520-I529 CarbonylContact O-C 3.53Å; H520-I529 WeakPolarHBondContact O-CA 3.01Å; L521-I529 HydrophobicContact CD1-CG1 3.85Å
530	I	55.9	Low	49.9	Very low	54 Å²	54	77.5 Å²	77.5	28%	0.277	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.8	171.1	-48.3	175.3	0	0	0	106.8	W508 H520 V528	W508-I530 HydrophobicContact CH2-CD1 4.12Å; W508-I530 HydrophobicContact CZ3-CD1 4.01Å; W508-I530 HydrophobicContact CZ3-CG1 4.45Å; H520-I530 HydrophobicContact CB-CB 4.11Å; H520-I530 PolarHBondContact N-O 3.22Å; H520-I530 PolarHBondContact O-N 3.27Å; V528-I530 HydrophobicContact CG1-CD1 4.47Å; V528-I530 HydrophobicContact CG1-CG1 3.99Å
531	S	52.9	Low	48.2	Very low	11 Å²	11	85.4 Å²	85.4	8%	0.077	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.1	175.5	175	0	0	0	0	109	N533	S531-N533 PolarHBondContact O-N 3.41Å
532	H	45.5	Very low	46.2	Very low	59 Å²	59	91.7 Å²	91.7	27%	0.273	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-28.2	-173.1	-164.5	5.3	0	0	0	113.9	H534 L575 L577	H532-H534 VanDerWaalsContact C-N 3.29Å; H532-H534 PolarHBondContact O-N 2.8Å; H532-L575 HydrophobicContact CB-CD2 4.36Å; H532-L575 WeakPolarHBondContact CD2-CD2 3.33Å; H532-L577 WeakPolarHBondContact NE2-CD1 2.82Å
533	N	39.3	Very low	44	Very low	83 Å²	83	96.8 Å²	96.8	44%	0.444	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	17.8	-172.2	-76.5	-22.3	0	0	0	115.2	N517 S531	N517-N533 PolarHBondContact OD1-ND2 2.77Å; S531-N533 PolarHBondContact O-N 3.41Å
534	H	36.3	Very low	41.6	Very low	123 Å²	123	102.1 Å²	102.1	57%	0.569	54%	0.537	S	S	*	.			trans	-107.7	69.5	179.3	-73.6	-13.3	0	0	0	113.4	H532	H532-H534 VanDerWaalsContact C-N 3.29Å; H532-H534 PolarHBondContact O-N 2.8Å
535	D	31.8	Very low	39.5	Very low	144 Å²	144	107.9 Å²	107.9	77%	0.77	57%	0.568	S	S	*	*			trans	-97.9	-5.4	159.3	-91.8	-12.1	0	0	0	113
536	N	28.2	Very low	37.4	Very low	135 Å²	135	113.6 Å²	113.6	72%	0.722	59%	0.592	S	S	*	*			trans	-113.3	98	179.3	-77.1	-21.1	0	0	0	112.3	F538	N536-F538 PolarHBondContact O-N 2.73Å
537	I	27.2	Very low	35.5	Very low	151 Å²	151	116.6 Å²	116.6	77%	0.774	61%	0.609	S	S	*	*			trans	-61.4	106.1	167.7	-60.2	158.1	0	0	0	108.9
538	F	26.9	Very low	33.5	Very low	175 Å²	175	123.2 Å²	123.2	77%	0.768	64%	0.643	S	S	*	*			trans	-136.8	116.8	159.2	-85.5	-76.9	0	0	0	111.8	N536 H540	N536-F538 PolarHBondContact O-N 2.73Å; F538-H540 PolarHBondContact O-N 2.73Å
539	N	25.8	Very low	31.5	Very low	157 Å²	157	125.4 Å²	125.4	84%	0.84	66%	0.66	S	S	*	*			trans	-51.8	100.1	173.3	-71.1	-33	0	0	0	111
540	H	24.9	Very low	29.7	Very low	164 Å²	164	130.3 Å²	130.3	76%	0.759	69%	0.687	S	S	*	*			trans	-120.3	119.9	153.6	-105.3	-73.5	0	0	0	109.6	F538 T542	F538-H540 PolarHBondContact O-N 2.73Å; H540-T542 PolarHBondContact O-N 3.22Å
541	Q	24.1	Very low	28.1	Very low	183 Å²	183	132.2 Å²	132.2	86%	0.855	71%	0.705	S	S	*	*			trans	-63.5	96.7	-177.4	-67.6	172.3	-39.5	0	0	110.6
542	T	26.5	Very low	26.7	Very low	131 Å²	131	137.6 Å²	137.6	80%	0.804	74%	0.74	S	S	*	*			trans	-100.4	114.5	148.9	47.2	0	0	0	0	107	H540 S544	H540-T542 PolarHBondContact O-N 3.22Å; T542-S544 PolarHBondContact O-N 2.99Å
543	N	22.9	Very low	25.8	Very low	149 Å²	149	144 Å²	144	80%	0.797	77%	0.767	S	S	*	*	S	Bend	trans	-55.6	136.2	-173.8	-73.5	-38.7	0	0	0	111.2
544	S	24.1	Very low	25.4	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	78%	0.78	S	S	*	*	S	Bend	trans	82.3	77	177.7	76	0	0	0	0	117.1	T542	T542-S544 PolarHBondContact O-N 2.99Å
545	L	24.4	Very low	24.9	Very low	130 Å²	130	147.5 Å²	147.5	68%	0.681	80%	0.795	S	S	*	*				-173.5	104.8	128.3	-95	153.5	0	0	0	107.6	T547	L545-T547 PolarHBondContact O-N 2.99Å
546	Q	20.9	Very low	24.7	Very low	202 Å²	202	146.4 Å²	146.4	94%	0.944	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-65.6	124.7	176.9	-82.6	175.7	-25.5	0	0	110.5
547	T	22.3	Very low	24.7	Very low	138 Å²	138	147.8 Å²	147.8	85%	0.847	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-94.5	128.9	164.4	34.1	0	0	0	0	110.3	L545	L545-T547 PolarHBondContact O-N 2.99Å
548	I	21.9	Very low	24.8	Very low	164 Å²	164	146.2 Å²	146.2	84%	0.841	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-71.2	131.2	177	-67.9	164.5	0	0	0	109.1
549	S	18.5	Very low	24.9	Very low	99 Å²	99	143.1 Å²	143.1	69%	0.692	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-69.5	128.8	173.7	141.7	0	0	0	0	111.6
550	L	22.9	Very low	25.2	Very low	172 Å²	172	139.2 Å²	139.2	90%	0.901	81%	0.805	S	S	*	*			trans	-135.8	112.1	142.3	-76.6	171.2	0	0	0	108.8
551	S	21.9	Very low	25.5	Very low	94 Å²	94	137.7 Å²	137.7	66%	0.657	81%	0.807	S	S	*	*			trans	-71.8	156.7	163.9	79.7	0	0	0	0	109.8
552	P	25.1	Very low	25.8	Very low	125 Å²	125	134.2 Å²	134.2	81%	0.812	80%	0.803	S	S	*	*				-133.3	139.5	72.3	22.5	-1.9	0	0	0	114.5
553	K	25.4	Very low	25.8	Very low	194 Å²	194	133.7 Å²	133.7	84%	0.843	80%	0.8	S	S	*	*			trans	-51.6	173.1	164.4	-79.1	179	167	178	0	113.2
554	P	31.2	Very low	26	Very low	111 Å²	111	131.4 Å²	131.4	72%	0.721	80%	0.795	S	S	*	*				-138.7	171.5	-63.7	37.5	-17.8	0	0	0	111.5
555	L	26.7	Very low	26.1	Very low	168 Å²	168	130.8 Å²	130.8	88%	0.88	79%	0.789	S	S	*	*			trans	-137	125.9	153.3	-98.6	146.8	0	0	0	108.2
556	P	26.4	Very low	26.2	Very low	120 Å²	120	129.8 Å²	129.8	78%	0.779	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-78.5	138.7	-169	29.9	-31.5	0	0	0	112
557	L	28.7	Very low	26.4	Very low	165 Å²	165	130.5 Å²	130.5	86%	0.864	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-91.4	140.5	177.1	-77.7	150.1	0	0	0	110.7
558	P	30.4	Very low	26.6	Very low	118 Å²	118	128.2 Å²	128.2	77%	0.766	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-68.4	145.2	178.2	-13.7	27.7	0	0	0	112.7
559	A	28.5	Very low	26.6	Very low	109 Å²	109	127.4 Å²	127.4	90%	0.901	77%	0.767	S	S	*	*	S	Bend	trans	-70.9	142.1	178	0	0	0	0	0	112.7
560	G	32.1	Very low	26.8	Very low	75 Å²	75	127.1 Å²	127.1	77%	0.773	76%	0.757	S	S	*	*			trans	120.3	12.2	160.2	0	0	0	0	0	118.2	S562	G560-S562 PolarHBondContact O-N 3.42Å
561	V	30.3	Very low	26.9	Very low	132 Å²	132	121.5 Å²	121.5	80%	0.8	73%	0.732	S	S	*	*			trans	-87.7	102.1	-178.1	-171.8	0	0	0	0	111.1
562	S	30.1	Very low	27.3	Very low	111 Å²	111	118.4 Å²	118.4	78%	0.776	71%	0.708	S	S	*	*			trans	-77.7	124.1	163.6	52	0	0	0	0	109.5	G560 S564	G560-S562 PolarHBondContact O-N 3.42Å; S562-S564 PolarHBondContact O-N 2.76Å
563	T	28.2	Very low	27.6	Very low	120 Å²	120	118.6 Å²	118.6	74%	0.736	70%	0.698	S	S	*	*			trans	-78.1	114.2	-177.4	47.1	0	0	0	0	110.7
564	S	26.2	Very low	27.6	Very low	101 Å²	101	111.3 Å²	111.3	71%	0.706	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-78.1	150.1	162.3	48.9	0	0	0	0	110.6	S562 S566	S562-S564 PolarHBondContact O-N 2.76Å; S564-S566 PolarHBondContact O-N 3.37Å
565	P	26.4	Very low	27.3	Very low	99 Å²	99	109.8 Å²	109.8	64%	0.643	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-63.9	135.8	-168.6	23.8	-32.7	0	0	0	111.9
566	S	26.3	Very low	27.2	Very low	109 Å²	109	106.2 Å²	106.2	76%	0.762	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-78.3	125.6	176	-58.6	0	0	0	0	109	S564	S564-S566 PolarHBondContact O-N 3.37Å
567	Y	24.3	Very low	27.1	Very low	216 Å²	216	104.6 Å²	104.6	85%	0.847	63%	0.628	S	S	*	*			trans	-89.1	111.1	170.9	-61.9	-81.3	0	0	0	108.4
568	L	26.8	Very low	27.1	Very low	91 Å²	91	103 Å²	103	48%	0.476	62%	0.619	S	S	.	*			trans	-81.9	130.7	173.5	-80.1	151	0	0	0	109.1
569	L	23	Very low	26.8	Very low	146 Å²	146	107.3 Å²	107.3	76%	0.764	62%	0.62	S	S	*	*			trans	-120.6	108.4	170.2	-131.3	147.9	0	0	0	106.7	S571	L569-S571 PolarHBondContact O-N 2.79Å
570	L	23.1	Very low	26.7	Very low	94 Å²	94	107.6 Å²	107.6	49%	0.492	62%	0.616	S	S	.	*			trans	-57.8	128.6	176.7	-81.4	98.4	0	0	0	109.5	K44 T516	K44-L570 PolarHBondContact NZ-O 3.02Å; T516-L570 HydrophobicContact CG2-CD1 3.73Å; T516-L570 HydrophobicContact CG2-CD2 4.02Å; T516-L570 HydrophobicContact CG2-CG 4.37Å; T516-L570 WeakPolarHBondContact OG1-CD1 3.31Å
571	S	24.6	Very low	26.5	Very low	53 Å²	53	112.7 Å²	112.7	37%	0.371	61%	0.612	S	S	.	*			trans	-123.5	133.9	174.3	168.5	0	0	0	0	109	L569 H573	L569-S571 PolarHBondContact O-N 2.79Å; S571-H573 PolarHBondContact O-N 3.41Å; S571-H573 VanDerWaalsContact O-N 3.07Å
572	N	30.6	Very low	26.5	Very low	29 Å²	29	111.3 Å²	111.3	16%	0.155	61%	0.608	C	S	.	*	T	Hydrogen-bonded Turn	trans	-79.2	19.3	-169.9	-94.2	30.9	0	0	0	115.7	F36 F37 D40	F36-N572 WeakPolarHBondContact CD1-ND2 3.37Å; F36-N572 VanDerWaalsContact CE1-CG 3.42Å; F36-N572 WeakPolarHBondContact CE1-ND2 3.43Å; F36-N572 VanDerWaalsContact CE1-OD1 3.29Å; F36-N572 WeakPolarHBondContact CE1-OD1 3.2Å; F36-N572 PolarHBondContact O-ND2 3.39Å; F37-N572 HydrophobicContact CD2-CB 4.27Å; D40-N572 HydrophobicContact CB-CB 4.35Å; D40-N572 VanDerWaalsContact CB-CG 3.42Å; D40-N572 WeakPolarHBondContact CB-ND2 3.19Å; D40-N572 VanDerWaalsContact CG-ND2 3.32Å; D40-N572 WeakPolarHBondContact OD2-CB 3.32Å; D40-N572 PolarHBondContact OD2-ND2 2.84Å; D40-N572 PolarHBondContact OD2-OD1 2.88Å
573	H	29.6	Very low	26.4	Very low	129 Å²	129	113.4 Å²	113.4	60%	0.597	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	18.5	-179.7	-63.7	-47.3	0	0	0	113.1	F37 S571	F37-H573 AromaticContact CD2-CE1 3.77Å; F37-H573 AromaticContact CE2-CE1 3.18Å; F37-H573 WeakPolarHBondContact CE2-CE1 3.46Å; F37-H573 AromaticContact CE2-NE2 3.59Å; F37-H573 AromaticContact CZ-CE1 3.84Å; S571-H573 PolarHBondContact O-N 3.41Å; S571-H573 VanDerWaalsContact O-N 3.07Å
574	G	26	Very low	26.3	Very low	42 Å²	42	112.9 Å²	112.9	43%	0.433	61%	0.608	S	S	.	*	S	Bend	trans	99.1	163.7	-166.6	0	0	0	0	0	111.1	M576	G574-M576 PolarHBondContact O-N 2.76Å
575	L	24.5	Very low	26.3	Very low	79 Å²	79	114.5 Å²	114.5	41%	0.414	61%	0.608	S	S	.	*			trans	-56.3	128.9	-178.8	-83.1	118.4	0	0	0	111.6	L518 H532	L518-L575 HydrophobicContact CB-CD1 3.58Å; L518-L575 HydrophobicContact CB-CD2 4.44Å; L518-L575 HydrophobicContact CD2-CD1 3.28Å; L518-L575 HydrophobicContact CG-CD1 4Å; H532-L575 HydrophobicContact CB-CD2 4.36Å; H532-L575 WeakPolarHBondContact CD2-CD2 3.33Å
576	M	24.9	Very low	26.1	Very low	93 Å²	93	116 Å²	116	46%	0.458	61%	0.614	S	S	.	*			trans	-127.4	111.5	172.1	-169.2	171.4	163.8	0	0	108.8	G574 L578	G574-M576 PolarHBondContact O-N 2.76Å; M576-L578 HydrophobicContact CE-CD1 4.38Å; M576-L578 HydrophobicContact CE-CD2 3.76Å; M576-L578 HydrophobicContact CE-CG 4.03Å
577	L	25.7	Very low	26	Very low	85 Å²	85	118.9 Å²	118.9	45%	0.445	62%	0.616	S	S	.	*			trans	-87.3	108.2	172.3	-165.6	102.6	0	0	0	108.8	H532 R579	H532-L577 WeakPolarHBondContact NE2-CD1 2.82Å; L577-R579 PolarHBondContact O-N 2.79Å
578	L	26.7	Very low	26	Very low	131 Å²	131	113.6 Å²	113.6	69%	0.686	61%	0.611	S	S	*	*			trans	-90.3	99.9	169.5	-79.6	169.8	0	0	0	109.7	M576 S580	M576-L578 HydrophobicContact CE-CD1 4.38Å; M576-L578 HydrophobicContact CE-CD2 3.76Å; M576-L578 HydrophobicContact CE-CG 4.03Å; L578-S580 PolarHBondContact O-N 3.03Å
579	R	25.8	Very low	25.9	Very low	209 Å²	209	114.3 Å²	114.3	79%	0.789	62%	0.623	S	S	*	*			trans	-82.5	104.4	168.9	-170.9	176	-175.4	170.1	2.4	108.8	L577 R581	L577-R579 PolarHBondContact O-N 2.79Å; R579-R581 PolarHBondContact O-N 3.07Å; R579-R581 VanDerWaalsContact O-N 3.13Å
580	S	26	Very low	26.3	Very low	116 Å²	116	112.6 Å²	112.6	81%	0.811	62%	0.624	S	S	*	*			trans	-64.4	113.4	167	177.7	0	0	0	0	108.7	L578 S582	L578-S580 PolarHBondContact O-N 3.03Å; S580-S582 PolarHBondContact O-N 2.79Å
581	R	27.9	Very low	26.7	Very low	181 Å²	181	114.5 Å²	114.5	68%	0.683	64%	0.642	S	S	*	*			trans	-70.8	112.3	170.1	-82.5	-171.7	-179.5	-161.3	0.9	108.2	R579 L583 D604	R579-R581 PolarHBondContact O-N 3.07Å; R579-R581 VanDerWaalsContact O-N 3.13Å; R581-L583 PolarHBondContact O-N 2.9Å; R581-D604 IonicContact CZ-OD1 3.77Å; R581-D604 IonicContact CZ-OD2 3.03Å; R581-D604 IonicContact NE-OD2 2.88Å; R581-D604 PolarHBondContact NE-OD2 2.91Å; R581-D604 VanDerWaalsContact NH2-CG 3.26Å; R581-D604 IonicContact NH2-OD1 3.15Å; R581-D604 PolarHBondContact NH2-OD1 3.44Å; R581-D604 VanDerWaalsContact NH2-OD1 3.15Å; R581-D604 IonicContact NH2-OD2 2.64Å; R581-D604 PolarHBondContact NH2-OD2 2.89Å
582	S	29.4	Very low	26.8	Very low	103 Å²	103	116.9 Å²	116.9	72%	0.72	66%	0.658	S	S	*	*			trans	-45.1	122.2	160.3	53	0	0	0	0	111.4	S580	S580-S582 PolarHBondContact O-N 2.79Å
583	L	27.9	Very low	26.4	Very low	155 Å²	155	123.9 Å²	123.9	81%	0.812	69%	0.694	S	S	*	*				-164.4	130.7	127	-98	136.4	0	0	0	107.9	R581 I585	R581-L583 PolarHBondContact O-N 2.9Å; L583-I585 PolarHBondContact O-N 3.27Å
584	P	27.6	Very low	26.2	Very low	109 Å²	109	124.7 Å²	124.7	71%	0.708	70%	0.703	S	S	*	*			trans	-71.8	114.8	-176.7	29.6	-30.7	0	0	0	108.3	V586	P584-V586 PolarHBondContact O-N 2.75Å
585	I	25.5	Very low	26	Very low	135 Å²	135	128.3 Å²	128.3	69%	0.692	72%	0.717	S	S	*	*			trans	-73.8	88.2	162.1	-59.2	174.8	0	0	0	105.9	L583 Q587	L583-I585 PolarHBondContact O-N 3.27Å; I585-Q587 HydrophobicContact CG2-CB 4.18Å; I585-Q587 HydrophobicContact CG2-CG 4.43Å; I585-Q587 PolarHBondContact O-N 3.31Å
586	V	22.3	Very low	26	Very low	130 Å²	130	135.1 Å²	135.1	79%	0.788	74%	0.738	S	S	*	*			trans	-68.3	88.7	155.2	178.7	0	0	0	0	105.9	P584	P584-V586 PolarHBondContact O-N 2.75Å
587	Q	24.2	Very low	25.9	Very low	171 Å²	171	135.6 Å²	135.6	80%	0.799	75%	0.751	S	S	*	*			trans	-137.3	115.4	152.6	-75.2	-164	-18.6	0	0	109.8	I585	I585-Q587 HydrophobicContact CG2-CB 4.18Å; I585-Q587 HydrophobicContact CG2-CG 4.43Å; I585-Q587 PolarHBondContact O-N 3.31Å
588	S	24.5	Very low	25.8	Very low	105 Å²	105	139.9 Å²	139.9	73%	0.734	77%	0.766	S	S	*	*			trans	-47	154.1	169.5	47.7	0	0	0	0	114.6
589	S	25.1	Very low	25.7	Very low	106 Å²	106	141.9 Å²	141.9	74%	0.741	77%	0.765	S	S	*	*			trans	88.4	109.7	154.8	71.2	0	0	0	0	119.7
590	S	29.6	Very low	25.7	Very low	110 Å²	110	138 Å²	138	77%	0.769	76%	0.759	S	S	*	*			trans	78.7	137.3	149.8	71.4	0	0	0	0	120.1
591	P	32	Very low	25.7	Very low	134 Å²	134	139.5 Å²	139.5	87%	0.87	76%	0.758	S	S	*	*			trans	-91.7	119.6	-169.6	35.6	-28.5	0	0	0	110.6
592	S	26.7	Very low	25.5	Very low	102 Å²	102	137.8 Å²	137.8	71%	0.713	76%	0.762	S	S	*	*			trans	-133.2	130	157	53	0	0	0	0	108.2	L594	S592-L594 PolarHBondContact O-N 3.37Å
593	L	23.5	Very low	25.4	Very low	176 Å²	176	136.5 Å²	136.5	92%	0.921	75%	0.75	S	S	*	*			trans	-39.5	110.1	-179.3	-101.8	77	0	0	0	111.5	T595	L593-T595 PolarHBondContact O-N 2.79Å; L593-T595 VanDerWaalsContact O-N 3.17Å
594	L	23.6	Very low	25.4	Very low	147 Å²	147	133.1 Å²	133.1	77%	0.77	73%	0.733	S	S	*	*			trans	-77.4	99.8	174	-91.7	149.3	0	0	0	109.7	S592 Y596	S592-L594 PolarHBondContact O-N 3.37Å; L594-Y596 PolarHBondContact O-N 3.11Å
595	T	22.7	Very low	25.5	Very low	118 Å²	118	137.6 Å²	137.6	72%	0.724	74%	0.741	S	S	*	*			trans	-57.1	116.6	163	18.6	0	0	0	0	111	L593 S597	L593-T595 PolarHBondContact O-N 2.79Å; L593-T595 VanDerWaalsContact O-N 3.17Å; T595-S597 PolarHBondContact O-N 2.84Å
596	Y	23.6	Very low	25.7	Very low	222 Å²	222	135 Å²	135	87%	0.871	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	28.7	-176.7	-92.8	-89.9	0	0	0	115.6	L594	L594-Y596 PolarHBondContact O-N 3.11Å
597	S	23.8	Very low	26.2	Very low	103 Å²	103	133.6 Å²	133.6	72%	0.72	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-5.9	-178.2	57	0	0	0	0	115.1	T595	T595-S597 PolarHBondContact O-N 2.84Å
598	K	23.2	Very low	26.6	Very low	175 Å²	175	128.6 Å²	128.6	76%	0.761	71%	0.707	S	S	*	*	S	Bend	trans	-106.3	2.5	-173.1	-140.1	178.8	-178.1	-179.8	0	116.4
599	Y	24.7	Very low	27.5	Very low	173 Å²	173	128 Å²	128	68%	0.678	69%	0.693	S	S	*	*	S	Bend	trans	-111.9	18.3	-174.5	-83.6	-80	0	0	0	115.4
600	I	26	Very low	28.5	Very low	127 Å²	127	126.9 Å²	126.9	65%	0.651	68%	0.675	S	S	*	*	S	Bend	trans	-87.6	-16.8	171.3	-62.6	177.9	0	0	0	112.5	N602 V603	I600-N602 PolarHBondContact O-N 2.87Å; I600-N602 VanDerWaalsContact O-N 3.1Å; I600-V603 PolarHBondContact O-N 2.98Å
601	D	25.4	Very low	29.5	Very low	148 Å²	148	122 Å²	122	79%	0.791	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-12.7	-176.6	-78.9	-20.1	0	0	0	114.9
602	N	24.5	Very low	30.7	Very low	144 Å²	144	117.1 Å²	117.1	77%	0.77	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	21.8	-177.1	-81	-15.9	0	0	0	114.3	I600 D604	I600-N602 PolarHBondContact O-N 2.87Å; I600-N602 VanDerWaalsContact O-N 3.1Å; N602-D604 PolarHBondContact O-N 2.64Å
603	V	27.8	Very low	32.3	Very low	76 Å²	76	112.7 Å²	112.7	46%	0.461	58%	0.575	S	S	.	*			trans	-64	105	161.9	-177.4	0	0	0	0	106.5	I600 K605	I600-V603 PolarHBondContact O-N 2.98Å; V603-K605 PolarHBondContact O-N 3.08Å
604	D	26.5	Very low	34.4	Very low	84 Å²	84	106 Å²	106	45%	0.449	54%	0.539	S	S	.	.			trans	-49.3	112.6	169	-79.2	-42.3	0	0	0	107	R581 N602 S606	R581-D604 IonicContact CZ-OD1 3.77Å; R581-D604 IonicContact CZ-OD2 3.03Å; R581-D604 IonicContact NE-OD2 2.88Å; R581-D604 PolarHBondContact NE-OD2 2.91Å; R581-D604 VanDerWaalsContact NH2-CG 3.26Å; R581-D604 IonicContact NH2-OD1 3.15Å; R581-D604 PolarHBondContact NH2-OD1 3.44Å; R581-D604 VanDerWaalsContact NH2-OD1 3.15Å; R581-D604 IonicContact NH2-OD2 2.64Å; R581-D604 PolarHBondContact NH2-OD2 2.89Å; N602-D604 PolarHBondContact O-N 2.64Å; D604-S606 PolarHBondContact O-N 3.22Å
605	K	29.7	Very low	36.4	Very low	204 Å²	204	99.1 Å²	99.1	89%	0.887	50%	0.503	S	S	*	.	S	Bend	trans	-64.4	27.6	-178.5	-67.6	178.9	173.8	176.7	0	113.5	V603	V603-K605 PolarHBondContact O-N 3.08Å
606	S	31.3	Very low	38.4	Very low	81 Å²	81	93.7 Å²	93.7	57%	0.566	47%	0.469	S	S	*	.			trans	-96.2	-8.1	-159.1	53.5	0	0	0	0	116.6	D604	D604-S606 PolarHBondContact O-N 3.22Å
607	V	32.2	Very low	40.5	Very low	99 Å²	99	84.9 Å²	84.9	60%	0.6	44%	0.437	S	S	*	.	S	Bend	trans	-137.4	2.8	-175.7	-159.3	0	0	0	0	116.7
608	T	31.9	Very low	42.6	Very low	66 Å²	66	85.3 Å²	85.3	41%	0.405	43%	0.432	S	S	.	.			trans	-120.1	98.6	165	43.7	0	0	0	0	109.1	F610	T608-F610 WeakPolarHBondContact O-CD2 3.15Å; T608-F610 WeakPolarHBondContact O-CE2 3.37Å; T608-F610 WeakPolarHBondContact OG1-CZ 3.41Å
609	Q	43.6	Very low	44.8	Very low	92 Å²	92	84.2 Å²	84.2	43%	0.43	43%	0.429	S	S	.	.			trans	-91.6	110	-173.9	-65.6	177.5	3.1	0	0	109.5
610	F	45.6	Very low	46.7	Very low	84 Å²	84	80.1 Å²	80.1	37%	0.368	42%	0.418	S	S	.	.			trans	-94.7	128.4	-173.1	-55	-79.3	0	0	0	111.4	T608 Y726	T608-F610 WeakPolarHBondContact O-CD2 3.15Å; T608-F610 WeakPolarHBondContact O-CE2 3.37Å; T608-F610 WeakPolarHBondContact OG1-CZ 3.41Å; F610-Y726 HydrophobicContact CB-CD2 3.63Å; F610-Y726 HydrophobicContact CB-CG 3.96Å; F610-Y726 HydrophobicContact CD2-CD2 4.46Å; F610-Y726 HydrophobicContact CG-CD2 4.15Å; F610-Y726 HydrophobicContact CG-CG 4.24Å
611	I	51.6	Low	48.6	Very low	6 Å²	6	79.5 Å²	79.5	3%	0.031	41%	0.413	C	S	.	.			trans	-130.9	140.9	176.6	-43.7	-174.6	0	0	0	109.1	I639 R640 F658 I723 N725	I611-I639 HydrophobicContact CB-CG2 4.39Å; I611-I639 HydrophobicContact CG2-CG2 3.16Å; I611-R640 WeakPolarHBondContact CG2-O 3.47Å; I611-F658 HydrophobicContact CD1-CE1 3.7Å; I611-F658 HydrophobicContact CD1-CE2 4.14Å; I611-F658 HydrophobicContact CD1-CZ 3.34Å; I611-I723 HydrophobicContact CB-CG2 3.66Å; I611-I723 HydrophobicContact CD1-CD1 3.48Å; I611-I723 VanDerWaalsContact CD1-CD1 3.48Å; I611-I723 HydrophobicContact CD1-CG1 4.32Å; I611-I723 HydrophobicContact CD1-CG2 4.13Å; I611-I723 HydrophobicContact CG1-CD1 4.26Å; I611-I723 HydrophobicContact CG1-CG2 3.69Å; I611-N725 PolarHBondContact O-OD1 3.04Å
612	N	57.1	Low	50.3	Low	32 Å²	32	75.4 Å²	75.4	17%	0.171	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119.7	-176.7	-178.9	10.7	0	0	0	112	I639 R640 N725	N612-I639 CarbonylContact O-C 3.5Å; N612-I639 WeakPolarHBondContact O-CA 3.21Å; N612-R640 HydrophobicContact CB-CB 4.19Å; N612-R640 PolarHBondContact N-O 2.94Å; N612-R640 VanDerWaalsContact N-O 3.1Å; N612-R640 PolarHBondContact O-N 3.22Å; N612-N725 VanDerWaalsContact CA-OD1 3.26Å; N612-N725 WeakPolarHBondContact CA-OD1 3.17Å; N612-N725 PolarHBondContact OD1-ND2 2.78Å
613	I	61	Low	51.8	Low	10 Å²	10	70.6 Å²	70.6	5%	0.051	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	102.1	-172.4	-52.4	124.3	0	0	0	113.1	Y637 V638 I639 L712 V714 T737	I613-Y637 HydrophobicContact CG2-CD2 4.24Å; I613-V638 CarbonylContact C-O 3.57Å; I613-V638 WeakPolarHBondContact CA-O 3.39Å; I613-I639 HydrophobicContact CG1-CG1 4.05Å; I613-I639 HydrophobicContact CG1-CG2 4.24Å; I613-I639 HydrophobicContact CG2-CG1 3.98Å; I613-L712 HydrophobicContact CB-CD2 4.24Å; I613-L712 HydrophobicContact CG2-CD2 3.24Å; I613-V714 HydrophobicContact CB-CG2 4.32Å; I613-V714 HydrophobicContact CD1-CB 3.65Å; I613-V714 HydrophobicContact CD1-CG1 3.98Å; I613-V714 HydrophobicContact CD1-CG2 3.4Å; I613-V714 VanDerWaalsContact CD1-CG2 3.4Å; I613-V714 HydrophobicContact CG1-CB 4.36Å; I613-V714 HydrophobicContact CG1-CG1 4.33Å; I613-V714 HydrophobicContact CG1-CG2 3.82Å; I613-V714 HydrophobicContact CG2-CG2 4.05Å; I613-T737 WeakPolarHBondContact O-CB 3.32Å; I613-T737 PolarHBondContact O-OG1 2.87Å
614	Q	65.9	Low	52.9	Low	34 Å²	34	73.8 Å²	73.8	16%	0.159	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	148.5	-174.8	-30.4	-152.4	-67.7	0	0	112.9	P622 Y637 V638 R640 T737	Q614-P622 HydrophobicContact CB-CB 4.4Å; Q614-P622 VanDerWaalsContact OE1-CB 3.32Å; Q614-Y637 CarbonylContact O-C 3.44Å; Q614-Y637 VanDerWaalsContact O-CA 3.3Å; Q614-Y637 WeakPolarHBondContact O-CA 3.39Å; Q614-V638 PolarHBondContact N-O 3.17Å; Q614-V638 PolarHBondContact O-N 3.42Å; Q614-R640 VanDerWaalsContact OE1-NH1 3.11Å; Q614-T737 VanDerWaalsContact CA-CG2 3.41Å; Q614-T737 HydrophobicContact CB-CG2 3.48Å; Q614-T737 VanDerWaalsContact CB-CG2 3.48Å; Q614-T737 HydrophobicContact CG-CG2 3.6Å
615	F	65.6	Low	54.1	Low	3 Å²	3	73.3 Å²	73.3	1%	0.013	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	151.6	166.4	-77.3	-94.9	0	0	0	110.9	P622 I623 I626 L635 N636 L662 L695 L712 I739	F615-P622 CarbonylContact O-C 3.53Å; F615-P622 VanDerWaalsContact O-CA 3.29Å; F615-P622 WeakPolarHBondContact O-CA 3Å; F615-I623 HydrophobicContact CB-CG1 4.1Å; F615-I623 PolarHBondContact O-N 2.76Å; F615-I626 HydrophobicContact CB-CD1 3.97Å; F615-I626 HydrophobicContact CD1-CD1 3.9Å; F615-I626 HydrophobicContact CG-CD1 4.12Å; F615-L635 HydrophobicContact CD1-CB 4.45Å; F615-L635 HydrophobicContact CE1-CB 4.19Å; F615-L635 HydrophobicContact CE1-CD1 4.48Å; F615-N636 WeakPolarHBondContact CA-O 3.27Å; F615-N636 WeakPolarHBondContact CD1-O 3.27Å; F615-L662 HydrophobicContact CZ-CD1 4.25Å; F615-L695 HydrophobicContact CE1-CD1 3.96Å; F615-L695 HydrophobicContact CZ-CD1 4.18Å; F615-L712 HydrophobicContact CE1-CD1 4.26Å; F615-L712 HydrophobicContact CE2-CB 4.02Å; F615-L712 HydrophobicContact CE2-CD1 3.97Å; F615-L712 HydrophobicContact CE2-CD2 3.71Å; F615-L712 HydrophobicContact CE2-CG 4.11Å; F615-L712 HydrophobicContact CZ-CB 4.22Å; F615-L712 HydrophobicContact CZ-CD1 3.37Å; F615-L712 HydrophobicContact CZ-CD2 3.9Å; F615-L712 HydrophobicContact CZ-CG 4.02Å; F615-I739 HydrophobicContact CB-CD1 4.2Å; F615-I739 HydrophobicContact CB-CG1 4.02Å; F615-I739 HydrophobicContact CD1-CD1 3.28Å; F615-I739 HydrophobicContact CD1-CG1 3.94Å; F615-I739 HydrophobicContact CD2-CB 4.34Å; F615-I739 HydrophobicContact CD2-CD1 3.21Å; F615-I739 HydrophobicContact CD2-CG1 2.87Å; F615-I739 HydrophobicContact CE1-CD1 3.15Å; F615-I739 HydrophobicContact CE1-CG1 4.06Å; F615-I739 HydrophobicContact CE2-CB 4.43Å; F615-I739 HydrophobicContact CE2-CD1 3.07Å; F615-I739 HydrophobicContact CE2-CG1 3.03Å; F615-I739 HydrophobicContact CG-CD1 3.26Å; F615-I739 HydrophobicContact CG-CG1 3.32Å; F615-I739 HydrophobicContact CZ-CD1 3.01Å; F615-I739 HydrophobicContact CZ-CG1 3.61Å
616	V	64.9	Low	55.2	Low	4 Å²	4	64.2 Å²	64.2	2%	0.024	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	152.7	-178.6	-64.4	0	0	0	0	112.2	L620 E621 N636 V638	V616-L620 WeakPolarHBondContact CG1-O 3.28Å; V616-L620 HydrophobicContact CG2-CD2 3.86Å; V616-E621 CarbonylContact C-O 3.56Å; V616-E621 WeakPolarHBondContact CA-O 3.15Å; V616-E621 VanDerWaalsContact CB-O 3.31Å; V616-E621 WeakPolarHBondContact CB-O 2.93Å; V616-N636 HydrophobicContact CG2-CB 3.67Å; V616-N636 PolarHBondContact N-O 2.75Å; V616-V638 HydrophobicContact CB-CG2 4.17Å; V616-V638 HydrophobicContact CG1-CB 4.18Å; V616-V638 HydrophobicContact CG1-CG2 3.42Å; V616-V638 VanDerWaalsContact CG1-CG2 3.42Å; V616-V638 HydrophobicContact CG2-CG2 3.63Å
617	N	67.5	Low	56.2	Low	37 Å²	37	65.6 Å²	65.6	20%	0.198	35%	0.347	C	S	.	.			trans	-71.2	-179	169.4	66	10.9	0	0	0	111	H619 L620 E621 I623	N617-H619 PolarHBondContact O-N 3.07Å; N617-H619 VanDerWaalsContact OD1-C 3.29Å; N617-H619 VanDerWaalsContact OD1-CA 3.3Å; N617-H619 WeakPolarHBondContact OD1-CA 3.42Å; N617-H619 WeakPolarHBondContact OD1-CB 3.41Å; N617-H619 PolarHBondContact OD1-N 2.69Å; N617-L620 PolarHBondContact O-N 2.93Å; N617-L620 PolarHBondContact OD1-N 3.16Å; N617-E621 PolarHBondContact N-O 3.24Å; N617-E621 PolarHBondContact ND2-OE2 2.89Å; N617-E621 WeakPolarHBondContact OD1-CB 3.49Å; N617-E621 PolarHBondContact OD1-N 2.9Å; N617-I623 HydrophobicContact CB-CD1 4.41Å; N617-I623 HydrophobicContact CB-CG2 3.94Å
618	D	69.5	Low	57.2	Low	112 Å²	112	61.8 Å²	61.8	60%	0.599	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.2	177.3	-59.9	-40.3	0	0	0	113.1	K632 N636	D618-K632 IonicContact OD2-NZ 3.78Å; D618-N636 PolarHBondContact OD1-ND2 2.8Å
619	H	68.5	Low	58.2	Low	152 Å²	152	63.9 Å²	63.9	70%	0.704	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	11.1	176.1	-55.9	-45.5	0	0	0	113.8	N617 E621	N617-H619 PolarHBondContact O-N 3.07Å; N617-H619 VanDerWaalsContact OD1-C 3.29Å; N617-H619 VanDerWaalsContact OD1-CA 3.3Å; N617-H619 WeakPolarHBondContact OD1-CA 3.42Å; N617-H619 WeakPolarHBondContact OD1-CB 3.41Å; N617-H619 PolarHBondContact OD1-N 2.69Å; H619-E621 HydrophobicContact CB-CG 4.4Å; H619-E621 PolarHBondContact O-N 2.95Å
620	L	64.8	Low	58.6	Low	87 Å²	87	67.1 Å²	67.1	46%	0.455	35%	0.352	S	S	.	.	S	Bend	trans	63.9	18.1	-177.8	-60.1	172.2	0	0	0	115.1	V616 N617 V638 T692	V616-L620 WeakPolarHBondContact CG1-O 3.28Å; V616-L620 HydrophobicContact CG2-CD2 3.86Å; N617-L620 PolarHBondContact O-N 2.93Å; N617-L620 PolarHBondContact OD1-N 3.16Å; L620-V638 HydrophobicContact CD2-CG2 4.26Å; L620-T692 HydrophobicContact CD2-CG2 4.01Å
621	E	65.3	Low	58.9	Low	115 Å²	115	70.6 Å²	70.6	54%	0.537	37%	0.374	S	S	.	.			trans	-86.7	137.2	173.7	-56.5	174.6	147.6	0	0	110.3	V616 N617 H619 I623	V616-E621 CarbonylContact C-O 3.56Å; V616-E621 WeakPolarHBondContact CA-O 3.15Å; V616-E621 VanDerWaalsContact CB-O 3.31Å; V616-E621 WeakPolarHBondContact CB-O 2.93Å; N617-E621 PolarHBondContact N-O 3.24Å; N617-E621 PolarHBondContact ND2-OE2 2.89Å; N617-E621 WeakPolarHBondContact OD1-CB 3.49Å; N617-E621 PolarHBondContact OD1-N 2.9Å; H619-E621 HydrophobicContact CB-CG 4.4Å; H619-E621 PolarHBondContact O-N 2.95Å; E621-I623 PolarHBondContact O-N 3.16Å
622	P	62.1	Low	59.1	Low	61 Å²	61	74.3 Å²	74.3	40%	0.396	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-62.7	135.5	-179.1	27.5	-34.8	0	0	0	111.7	Q614 F615	Q614-P622 HydrophobicContact CB-CB 4.4Å; Q614-P622 VanDerWaalsContact OE1-CB 3.32Å; F615-P622 CarbonylContact O-C 3.53Å; F615-P622 VanDerWaalsContact O-CA 3.29Å; F615-P622 WeakPolarHBondContact O-CA 3Å
623	I	54.7	Low	59.5	Low	44 Å²	44	80.1 Å²	80.1	23%	0.226	41%	0.41	C	S	.	.			trans	-127	139.8	178.7	57.1	-178.3	0	0	0	111.1	F615 N617 E621 I626	F615-I623 HydrophobicContact CB-CG1 4.1Å; F615-I623 PolarHBondContact O-N 2.76Å; N617-I623 HydrophobicContact CB-CD1 4.41Å; N617-I623 HydrophobicContact CB-CG2 3.94Å; E621-I623 PolarHBondContact O-N 3.16Å; I623-I626 HydrophobicContact CD1-CD1 3.85Å; I623-I626 HydrophobicContact CD1-CG1 3.47Å; I623-I626 VanDerWaalsContact CD1-CG1 3.47Å; I623-I626 HydrophobicContact CG1-CD1 4.45Å; I623-I626 HydrophobicContact CG1-CG1 4.13Å
624	D	51.3	Low	60	Low	142 Å²	142	84.2 Å²	84.2	76%	0.759	43%	0.431	S	S	*	.	S	Bend	trans	-91.7	-14.9	-179	-64	-29.9	0	0	0	113.2
625	S	51.7	Low	60.3	Low	75 Å²	75	82.8 Å²	82.8	52%	0.524	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	147	179.7	61.7	0	0	0	0	110.6
626	I	52.9	Low	60.8	Low	12 Å²	12	84.3 Å²	84.3	6%	0.062	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.6	174.9	-57.3	174.7	0	0	0	107.7	F615 I623 L635 I739 L741 Q742	F615-I626 HydrophobicContact CB-CD1 3.97Å; F615-I626 HydrophobicContact CD1-CD1 3.9Å; F615-I626 HydrophobicContact CG-CD1 4.12Å; I623-I626 HydrophobicContact CD1-CD1 3.85Å; I623-I626 HydrophobicContact CD1-CG1 3.47Å; I623-I626 VanDerWaalsContact CD1-CG1 3.47Å; I623-I626 HydrophobicContact CG1-CD1 4.45Å; I623-I626 HydrophobicContact CG1-CG1 4.13Å; I626-L635 HydrophobicContact CB-CD2 4.37Å; I626-L635 HydrophobicContact CD1-CD2 3.68Å; I626-L635 HydrophobicContact CG2-CD2 3.59Å; I626-I739 HydrophobicContact CB-CG2 4.14Å; I626-I739 HydrophobicContact CD1-CD1 3.7Å; I626-I739 HydrophobicContact CD1-CG1 4.39Å; I626-I739 HydrophobicContact CD1-CG2 4.03Å; I626-I739 HydrophobicContact CG1-CG2 3.86Å; I626-L741 HydrophobicContact CB-CD2 3.58Å; I626-L741 HydrophobicContact CB-CG 4.3Å; I626-L741 HydrophobicContact CG2-CD2 3.75Å; I626-L741 WeakPolarHBondContact O-CD2 3.22Å; I626-Q742 PolarHBondContact O-N 2.92Å
627	I	53.4	Low	61.2	Low	111 Å²	111	84.1 Å²	84.1	57%	0.569	43%	0.431	S	S	*	.			trans	-101.7	118.5	171.5	-57.6	172.3	0	0	0	106.2
628	L	52.4	Low	61.4	Low	19 Å²	19	82.4 Å²	82.4	10%	0.099	42%	0.422	C	S	.	.			trans	-92.4	105.9	172.1	-71.9	168.3	0	0	0	108.2	K632 L635 I697 L701 L741	L628-K632 WeakPolarHBondContact CD2-O 3.38Å; L628-L635 HydrophobicContact CD2-CD2 3.84Å; L628-L635 HydrophobicContact CD2-CG 4.45Å; L628-I697 HydrophobicContact CD1-CD1 3.39Å; L628-I697 HydrophobicContact CD2-CD1 3.6Å; L628-I697 HydrophobicContact CG-CD1 4.18Å; L628-L701 HydrophobicContact CD1-CD1 3.73Å; L628-L741 HydrophobicContact CB-CD2 4.46Å; L628-L741 HydrophobicContact CD1-CD1 4.23Å; L628-L741 HydrophobicContact CD1-CD2 3.44Å; L628-L741 VanDerWaalsContact CD1-CD2 3.44Å; L628-L741 HydrophobicContact CD1-CG 4.35Å; L628-L741 HydrophobicContact CD2-CD2 4.28Å; L628-L741 HydrophobicContact CG-CD2 3.4Å; L628-L741 VanDerWaalsContact CG-CD2 3.4Å
629	D	53.3	Low	61.3	Low	109 Å²	109	77.1 Å²	77.1	58%	0.583	39%	0.394	S	S	*	.			trans	-72.5	157.7	162.4	-61.2	-29.1	0	0	0	109.2	N631 K632	D629-N631 PolarHBondContact O-N 2.91Å; D629-K632 PolarHBondContact O-N 3.19Å
630	D	51.2	Low	61.1	Low	161 Å²	161	72.3 Å²	72.3	86%	0.861	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-22.5	179.2	-67.3	-31.8	0	0	0	113.9
631	N	51.3	Low	60.8	Low	156 Å²	156	70.5 Å²	70.5	83%	0.834	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-21.4	179.6	-64.5	-27.6	0	0	0	114.7	D629 R633	D629-N631 PolarHBondContact O-N 2.91Å; N631-R633 PolarHBondContact O-N 3.49Å
632	K	56.8	Low	60.4	Low	85 Å²	85	65.2 Å²	65.2	37%	0.37	34%	0.336	S	S	.	.			trans	-90.1	101.3	-174.3	-166.8	169.7	-172.9	167.7	0	109.6	D618 L628 D629	D618-K632 IonicContact OD2-NZ 3.78Å; L628-K632 WeakPolarHBondContact CD2-O 3.38Å; D629-K632 PolarHBondContact O-N 3.19Å
633	R	65.8	Low	59.7	Low	154 Å²	154	65.8 Å²	65.8	58%	0.581	34%	0.341	S	S	*	.			trans	-102.8	2.3	179.5	-63.2	-168.2	-179.3	-163.5	0.3	114.8	N631 S696 I697	N631-R633 PolarHBondContact O-N 3.49Å; R633-S696 CarbonylContact O-C 3.52Å; R633-S696 WeakPolarHBondContact O-CA 3.08Å; R633-I697 PolarHBondContact O-N 3.35Å
634	I	71.7	Confident	59.3	Low	95 Å²	95	71.4 Å²	71.4	49%	0.487	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.4	-172.7	-55.3	174.2	0	0	0	110.5	L695	I634-L695 CarbonylContact C-O 3.4Å; I634-L695 VanDerWaalsContact CA-O 3.27Å; I634-L695 WeakPolarHBondContact CA-O 3.34Å
635	L	72.4	Confident	59	Low	4 Å²	4	65.5 Å²	65.5	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.3	179.1	-61.9	177.3	0	0	0	110.9	F615 I626 L628 L662 S694 L695 I697 L741	F615-L635 HydrophobicContact CD1-CB 4.45Å; F615-L635 HydrophobicContact CE1-CB 4.19Å; F615-L635 HydrophobicContact CE1-CD1 4.48Å; I626-L635 HydrophobicContact CB-CD2 4.37Å; I626-L635 HydrophobicContact CD1-CD2 3.68Å; I626-L635 HydrophobicContact CG2-CD2 3.59Å; L628-L635 HydrophobicContact CD2-CD2 3.84Å; L628-L635 HydrophobicContact CD2-CG 4.45Å; L635-L662 HydrophobicContact CD1-CD2 3.71Å; L635-S694 CarbonylContact O-C 3.56Å; L635-S694 VanDerWaalsContact O-CA 3.27Å; L635-S694 WeakPolarHBondContact O-CA 3.41Å; L635-L695 HydrophobicContact CB-CB 4.34Å; L635-L695 PolarHBondContact N-O 3.07Å; L635-L695 PolarHBondContact O-N 3.3Å; L635-I697 HydrophobicContact CD1-CD1 4.06Å; L635-I697 HydrophobicContact CG-CD1 4.25Å; L635-L741 HydrophobicContact CD1-CD1 3.73Å; L635-L741 HydrophobicContact CD2-CD2 4.39Å
636	N	75.8	Confident	58.6	Low	36 Å²	36	66.2 Å²	66.2	19%	0.193	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	143	179.1	-58.1	-38.7	0	0	0	111.7	F615 V616 D618 G693 S694	F615-N636 WeakPolarHBondContact CA-O 3.27Å; F615-N636 WeakPolarHBondContact CD1-O 3.27Å; V616-N636 HydrophobicContact CG2-CB 3.67Å; V616-N636 PolarHBondContact N-O 2.75Å; D618-N636 PolarHBondContact OD1-ND2 2.8Å; N636-G693 WeakPolarHBondContact CA-O 3.49Å; N636-S694 VanDerWaalsContact OD1-CB 3.29Å; N636-S694 WeakPolarHBondContact OD1-CB 3.46Å
637	Y	73.5	Confident	58.1	Low	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	161.6	177.9	68.9	-87.8	0	0	0	112.5	I613 Q614 I639 V660 S674 N675 A676 T692 G693 L695 L712	I613-Y637 HydrophobicContact CG2-CD2 4.24Å; Q614-Y637 CarbonylContact O-C 3.44Å; Q614-Y637 VanDerWaalsContact O-CA 3.3Å; Q614-Y637 WeakPolarHBondContact O-CA 3.39Å; Y637-I639 HydrophobicContact CD2-CG1 4.4Å; Y637-I639 HydrophobicContact CE2-CD1 4.4Å; Y637-I639 HydrophobicContact CE2-CG1 4.37Å; Y637-V660 HydrophobicContact CD1-CG1 4.27Å; Y637-V660 HydrophobicContact CD2-CG1 4.25Å; Y637-V660 HydrophobicContact CD2-CG2 4.33Å; Y637-V660 HydrophobicContact CE1-CB 4.06Å; Y637-V660 HydrophobicContact CE1-CG1 3.93Å; Y637-V660 HydrophobicContact CE2-CB 3.83Å; Y637-V660 HydrophobicContact CE2-CG1 3.92Å; Y637-V660 HydrophobicContact CE2-CG2 3.44Å; Y637-V660 VanDerWaalsContact CE2-CG2 3.44Å; Y637-V660 HydrophobicContact CG-CG1 4.43Å; Y637-V660 VanDerWaalsContact CZ-CB 3.49Å; Y637-V660 WeakPolarHBondContact OH-CB 3.48Å; Y637-V660 WeakPolarHBondContact OH-CG2 2.67Å; Y637-S674 VanDerWaalsContact CE1-OG 3.25Å; Y637-S674 WeakPolarHBondContact CE1-OG 3.26Å; Y637-S674 WeakPolarHBondContact OH-CB 3.42Å; Y637-S674 PolarHBondContact OH-O 2.76Å; Y637-S674 PolarHBondContact OH-OG 2.83Å; Y637-N675 VanDerWaalsContact OH-C 3.27Å; Y637-N675 PolarHBondContact OH-O 2.98Å; Y637-A676 HydrophobicContact CE2-CB 3.97Å; Y637-A676 PolarHBondContact OH-N 3.36Å; Y637-T692 CarbonylContact O-C 3.57Å; Y637-T692 WeakPolarHBondContact O-CA 3.29Å; Y637-G693 WeakPolarHBondContact CD1-O 3.31Å; Y637-G693 PolarHBondContact N-O 2.96Å; Y637-G693 PolarHBondContact O-N 3.43Å; Y637-L695 HydrophobicContact CD1-CD1 3.85Å; Y637-L695 HydrophobicContact CD1-CG 3.99Å; Y637-L695 HydrophobicContact CE1-CD1 4.14Å; Y637-L695 HydrophobicContact CE1-CD2 4.42Å; Y637-L695 HydrophobicContact CE1-CG 3.84Å; Y637-L712 HydrophobicContact CG-CD2 4.49Å
638	V	71.1	Confident	57.4	Low	1 Å²	1	71.8 Å²	71.8	1%	0.006	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	141.4	-177.7	-167.7	0	0	0	0	111.6	I613 Q614 V616 L620 Y689 F691 T692	I613-V638 CarbonylContact C-O 3.57Å; I613-V638 WeakPolarHBondContact CA-O 3.39Å; Q614-V638 PolarHBondContact N-O 3.17Å; Q614-V638 PolarHBondContact O-N 3.42Å; V616-V638 HydrophobicContact CB-CG2 4.17Å; V616-V638 HydrophobicContact CG1-CB 4.18Å; V616-V638 HydrophobicContact CG1-CG2 3.42Å; V616-V638 VanDerWaalsContact CG1-CG2 3.42Å; V616-V638 HydrophobicContact CG2-CG2 3.63Å; L620-V638 HydrophobicContact CD2-CG2 4.26Å; V638-Y689 HydrophobicContact CB-CD1 4.22Å; V638-Y689 HydrophobicContact CG1-CD1 3.27Å; V638-Y689 HydrophobicContact CG1-CE1 3.98Å; V638-Y689 HydrophobicContact CG1-CG 3.95Å; V638-F691 CarbonylContact C-O 3.42Å; V638-F691 WeakPolarHBondContact CA-O 3.28Å; V638-F691 WeakPolarHBondContact CG1-O 3.38Å; V638-T692 HydrophobicContact CB-CG2 4.41Å; V638-T692 HydrophobicContact CG1-CG2 3.91Å; V638-T692 HydrophobicContact CG2-CG2 3.76Å
639	I	68.3	Low	56.9	Low	1 Å²	1	72.5 Å²	72.5	1%	0.005	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.7	179.9	-55.3	-176.9	0	0	0	108.7	I611 N612 I613 Y637 F658 V660 A676 C690 F691 V714	I611-I639 HydrophobicContact CB-CG2 4.39Å; I611-I639 HydrophobicContact CG2-CG2 3.16Å; N612-I639 CarbonylContact O-C 3.5Å; N612-I639 WeakPolarHBondContact O-CA 3.21Å; I613-I639 HydrophobicContact CG1-CG1 4.05Å; I613-I639 HydrophobicContact CG1-CG2 4.24Å; I613-I639 HydrophobicContact CG2-CG1 3.98Å; Y637-I639 HydrophobicContact CD2-CG1 4.4Å; Y637-I639 HydrophobicContact CE2-CD1 4.4Å; Y637-I639 HydrophobicContact CE2-CG1 4.37Å; I639-F658 HydrophobicContact CD1-CB 3.43Å; I639-F658 VanDerWaalsContact CD1-CB 3.43Å; I639-F658 HydrophobicContact CD1-CD2 3.64Å; I639-F658 HydrophobicContact CD1-CG 3.69Å; I639-F658 HydrophobicContact CG2-CD2 4.3Å; I639-F658 HydrophobicContact CG2-CE2 4.35Å; I639-V660 HydrophobicContact CD1-CG2 4.32Å; I639-A676 HydrophobicContact CD1-CB 3.62Å; I639-A676 HydrophobicContact CG1-CB 4.44Å; I639-C690 PolarHBondContact O-N 2.87Å; I639-F691 HydrophobicContact CB-CB 4.17Å; I639-F691 HydrophobicContact CD1-CB 4.32Å; I639-F691 HydrophobicContact CG1-CB 4.45Å; I639-F691 PolarHBondContact N-O 3.06Å; I639-F691 PolarHBondContact O-N 3.02Å; I639-V714 HydrophobicContact CD1-CG1 4.18Å
640	R	64.2	Low	56.3	Low	51 Å²	51	75 Å²	75	19%	0.192	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	161.4	-175.8	-66.3	-176.2	176.2	179.2	4.2	112.4	I611 N612 Q614 C688 Y689	I611-R640 WeakPolarHBondContact CG2-O 3.47Å; N612-R640 HydrophobicContact CB-CB 4.19Å; N612-R640 PolarHBondContact N-O 2.94Å; N612-R640 VanDerWaalsContact N-O 3.1Å; N612-R640 PolarHBondContact O-N 3.22Å; Q614-R640 VanDerWaalsContact OE1-NH1 3.11Å; R640-C688 VanDerWaalsContact CA-O 3.3Å; R640-C688 WeakPolarHBondContact CA-O 3.48Å; R640-Y689 HydrophobicContact CG-CD1 3.74Å; R640-Y689 HydrophobicContact CG-CE1 4.2Å; R640-Y689 PolarHBondContact NH2-OH 3.01Å
641	D	58.2	Low	55.7	Low	48 Å²	48	76.3 Å²	76.3	26%	0.257	38%	0.378	S	S	.	.			trans	67.3	31.5	172.5	-61.3	-46.8	0	0	0	115.7	S643 H687 C688	D641-S643 PolarHBondContact O-N 3.2Å; D641-H687 WeakPolarHBondContact OD1-CA 3.44Å; D641-H687 IonicContact OD1-CE1 3.86Å; D641-H687 IonicContact OD1-CG 3.76Å; D641-H687 IonicContact OD1-ND1 2.89Å; D641-H687 PolarHBondContact OD1-ND1 3.28Å; D641-H687 IonicContact OD2-ND1 3.72Å; D641-C688 PolarHBondContact N-O 2.89Å
642	C	57.1	Low	55	Low	4 Å²	4	72.3 Å²	72.3	3%	0.027	36%	0.362	C	S	.	.			trans	-79.8	31.3	177.3	-26.5	0	0	0	0	113	Y644 H645 L646 C690	C642-Y644 PolarHBondContact O-N 3.48Å; C642-Y644 VanDerWaalsContact O-N 3.14Å; C642-H645 HydrophobicContact CB-CB 4.09Å; C642-H645 WeakPolarHBondContact O-CA 3.2Å; C642-H645 VanDerWaalsContact O-CB 3.28Å; C642-H645 WeakPolarHBondContact O-CB 3.45Å; C642-H645 PolarHBondContact O-N 3.24Å; C642-L646 PolarHBondContact O-N 3.28Å; C642-C690 VanDerWaalsContact CA-SG 3.57Å; C642-C690 HydrophobicContact CB-CB 3.62Å; C642-C690 WeakPolarHBondContact CB-SG 3.28Å; C642-C690 PolarHBondContact N-SG 2.83Å; C642-C690 WeakPolarHBondContact SG-CB 3.48Å; C642-C690 CovalentContact SG-SG 2.03Å; C642-C690 PolarHBondContact SG-SG 2.7Å
643	S	47.6	Very low	54.1	Low	73 Å²	73	80.6 Å²	80.6	51%	0.51	39%	0.391	S	S	.	.	H	α-helix	trans	-55.6	-35.7	-170.3	-39.8	0	0	0	0	113.2	D641 H645	D641-S643 PolarHBondContact O-N 3.2Å; S643-H645 VanDerWaalsContact C-N 3.33Å
644	Y	46.1	Very low	52.7	Low	162 Å²	162	81.2 Å²	81.2	64%	0.635	41%	0.405	S	S	*	.	H	α-helix	trans	-74.8	-24.8	178.2	-161	-97.1	0	0	0	113.1	C642 T647 L648	C642-Y644 PolarHBondContact O-N 3.48Å; C642-Y644 VanDerWaalsContact O-N 3.14Å; Y644-T647 PolarHBondContact O-OG1 2.02Å; Y644-L648 HydrophobicContact CD1-CD1 4.33Å; Y644-L648 HydrophobicContact CE1-CD1 4.03Å
645	H	43.5	Very low	51.3	Low	19 Å²	19	78.4 Å²	78.4	9%	0.088	40%	0.395	C	S	.	.	H	α-helix	trans	-72.7	-46.1	177.2	-82.9	-50.9	0	0	0	110.2	C642 S643 T647 L648 F649 F658 D716	C642-H645 HydrophobicContact CB-CB 4.09Å; C642-H645 WeakPolarHBondContact O-CA 3.2Å; C642-H645 VanDerWaalsContact O-CB 3.28Å; C642-H645 WeakPolarHBondContact O-CB 3.45Å; C642-H645 PolarHBondContact O-N 3.24Å; S643-H645 VanDerWaalsContact C-N 3.33Å; H645-T647 VanDerWaalsContact C-N 3.27Å; H645-T647 PolarHBondContact O-N 3.28Å; H645-L648 PolarHBondContact O-N 2.52Å; H645-L648 VanDerWaalsContact O-N 3.09Å; H645-F649 VanDerWaalsContact C-CD2 3.47Å; H645-F649 HydrophobicContact CB-CD1 4.19Å; H645-F649 HydrophobicContact CB-CD2 4.36Å; H645-F649 HydrophobicContact CB-CE1 3.5Å; H645-F649 VanDerWaalsContact CB-CE1 3.5Å; H645-F649 HydrophobicContact CB-CE2 3.61Å; H645-F649 HydrophobicContact CB-CZ 3.18Å; H645-F649 AromaticContact CG-CE2 3.88Å; H645-F649 AromaticContact CG-CZ 3.36Å; H645-F649 AromaticContact ND1-CE2 3.48Å; H645-F649 WeakPolarHBondContact ND1-CE2 3.09Å; H645-F649 AromaticContact ND1-CZ 3.21Å; H645-F649 WeakPolarHBondContact ND1-CZ 3.5Å; H645-F649 WeakPolarHBondContact O-CB 3.27Å; H645-F649 WeakPolarHBondContact O-CD2 3.47Å; H645-F649 WeakPolarHBondContact O-CE2 3.31Å; H645-F649 WeakPolarHBondContact O-CG 3.39Å; H645-F658 AromaticContact CD2-CZ 3.79Å; H645-F658 AromaticContact NE2-CZ 3.71Å; H645-D716 IonicContact CE1-OD2 3.8Å
646	L	43.4	Very low	50.2	Low	90 Å²	90	83.2 Å²	83.2	47%	0.471	42%	0.416	S	S	.	.	H	α-helix	trans	-53.4	-33.7	-176	-77.7	155.6	0	0	0	115.7	C642 F649	C642-L646 PolarHBondContact O-N 3.28Å; L646-F649 PolarHBondContact O-N 2.83Å
647	T	42.8	Very low	49.6	Very low	117 Å²	117	82.8 Å²	82.8	72%	0.718	41%	0.412	S	S	*	.	H	α-helix	trans	-74.2	-27.6	-178.6	50.2	0	0	0	0	114.1	Y644 H645 F649	Y644-T647 PolarHBondContact O-OG1 2.02Å; H645-T647 VanDerWaalsContact C-N 3.27Å; H645-T647 PolarHBondContact O-N 3.28Å; T647-F649 VanDerWaalsContact C-N 3.3Å
648	L	39.2	Very low	49.1	Very low	122 Å²	122	82.8 Å²	82.8	64%	0.639	41%	0.412	S	S	*	.	H	α-helix	trans	-82.4	-6.8	174.5	-82.9	145.1	0	0	0	112.5	Y644 H645	Y644-L648 HydrophobicContact CD1-CD1 4.33Å; Y644-L648 HydrophobicContact CE1-CD1 4.03Å; H645-L648 PolarHBondContact O-N 2.52Å; H645-L648 VanDerWaalsContact O-N 3.09Å
649	F	42.8	Very low	48.7	Very low	34 Å²	34	83 Å²	83	15%	0.149	41%	0.413	C	S	.	.			trans	-103.7	1.6	-154.3	-78	-156.7	0	0	0	115.5	H645 L646 T647 E651 R657 F691	H645-F649 VanDerWaalsContact C-CD2 3.47Å; H645-F649 HydrophobicContact CB-CD1 4.19Å; H645-F649 HydrophobicContact CB-CD2 4.36Å; H645-F649 HydrophobicContact CB-CE1 3.5Å; H645-F649 VanDerWaalsContact CB-CE1 3.5Å; H645-F649 HydrophobicContact CB-CE2 3.61Å; H645-F649 HydrophobicContact CB-CZ 3.18Å; H645-F649 AromaticContact CG-CE2 3.88Å; H645-F649 AromaticContact CG-CZ 3.36Å; H645-F649 AromaticContact ND1-CE2 3.48Å; H645-F649 WeakPolarHBondContact ND1-CE2 3.09Å; H645-F649 AromaticContact ND1-CZ 3.21Å; H645-F649 WeakPolarHBondContact ND1-CZ 3.5Å; H645-F649 WeakPolarHBondContact O-CB 3.27Å; H645-F649 WeakPolarHBondContact O-CD2 3.47Å; H645-F649 WeakPolarHBondContact O-CE2 3.31Å; H645-F649 WeakPolarHBondContact O-CG 3.39Å; L646-F649 PolarHBondContact O-N 2.83Å; T647-F649 VanDerWaalsContact C-N 3.3Å; F649-E651 PolarHBondContact O-N 3.47Å; F649-R657 VanDerWaalsContact CD2-CZ 3.44Å; F649-R657 VanDerWaalsContact CE2-CZ 3.44Å; F649-R657 VanDerWaalsContact CG-CZ 3.45Å; F649-F691 HydrophobicContact CE1-CZ 4.28Å
650	N	39	Very low	48.5	Very low	163 Å²	163	82.9 Å²	82.9	87%	0.872	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-3.9	-177.7	-98	-8.5	0	0	0	115.4
651	E	38.5	Very low	48.5	Very low	188 Å²	188	81.1 Å²	81.1	88%	0.879	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-2.1	-169.5	-69.8	-162	157.8	0	0	117.8	F649	F649-E651 PolarHBondContact O-N 3.47Å
652	S	36.5	Very low	48.7	Very low	71 Å²	71	78.8 Å²	78.8	50%	0.497	39%	0.394	S	S	.	.			trans	-159	122.5	171.7	51.1	0	0	0	0	115.4	L654	S652-L654 PolarHBondContact O-N 2.67Å
653	R	37.9	Very low	48.4	Very low	260 Å²	260	79.8 Å²	79.8	98%	0.981	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	12.9	174.2	-74	-173.8	173.7	-178.5	-1.2	114.8
654	L	37	Very low	48.6	Very low	167 Å²	167	76.4 Å²	76.4	87%	0.874	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-2.4	-169	-84.8	166.2	0	0	0	116.4	S652	S652-L654 PolarHBondContact O-N 2.67Å
655	A	42.9	Very low	48.6	Very low	35 Å²	35	69.3 Å²	69.3	29%	0.289	35%	0.349	S	S	.	.			trans	-104.8	99.9	-170.7	0	0	0	0	0	113.7	R657	A655-R657 HydrophobicContact CB-CG 3.71Å; A655-R657 PolarHBondContact O-N 2.82Å
656	K	49.9	Very low	48.4	Very low	106 Å²	106	74.8 Å²	74.8	46%	0.461	37%	0.373	S	S	.	.			trans	-62.3	109	149.5	-76.2	161.2	150.1	-146.8	0	107.9	N675 S717	K656-N675 WeakPolarHBondContact CB-OD1 3.26Å; K656-N675 WeakPolarHBondContact CD-OD1 3.14Å; K656-N675 WeakPolarHBondContact CE-OD1 3.01Å; K656-N675 VanDerWaalsContact CG-OD1 3.24Å; K656-N675 WeakPolarHBondContact CG-OD1 3.21Å; K656-N675 PolarHBondContact NZ-ND2 3.09Å; K656-N675 VanDerWaalsContact NZ-ND2 3.11Å; K656-N675 PolarHBondContact NZ-OD1 2.82Å; K656-S717 PolarHBondContact O-OG 3.26Å
657	R	61.7	Low	48.4	Very low	26 Å²	26	71.6 Å²	71.6	10%	0.098	36%	0.362	C	S	.	.			trans	-102.2	-34.1	-164.4	-79.2	-172.5	170.3	116.7	-14.6	116	F649 A655 F691 D716 S717 T718	F649-R657 VanDerWaalsContact CD2-CZ 3.44Å; F649-R657 VanDerWaalsContact CE2-CZ 3.44Å; F649-R657 VanDerWaalsContact CG-CZ 3.45Å; A655-R657 HydrophobicContact CB-CG 3.71Å; A655-R657 PolarHBondContact O-N 2.82Å; R657-F691 HydrophobicContact CB-CE1 4.21Å; R657-F691 HydrophobicContact CB-CZ 4.14Å; R657-D716 CarbonylContact O-C 3.59Å; R657-S717 WeakPolarHBondContact CA-OG 3.32Å; R657-S717 VanDerWaalsContact O-CB 3.29Å; R657-S717 WeakPolarHBondContact O-CB 3.35Å; R657-S717 PolarHBondContact O-N 3.08Å; R657-S717 PolarHBondContact O-OG 2.88Å; R657-S717 VanDerWaalsContact O-OG 3.13Å; R657-T718 HydrophobicContact CG-CG2 4.03Å
658	F	63.7	Low	48.6	Very low	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127	178	-60.1	-62.1	0	0	0	110.2	I611 I639 H645 A676 F691 V714 I715 D716 I723	I611-F658 HydrophobicContact CD1-CE1 3.7Å; I611-F658 HydrophobicContact CD1-CE2 4.14Å; I611-F658 HydrophobicContact CD1-CZ 3.34Å; I639-F658 HydrophobicContact CD1-CB 3.43Å; I639-F658 VanDerWaalsContact CD1-CB 3.43Å; I639-F658 HydrophobicContact CD1-CD2 3.64Å; I639-F658 HydrophobicContact CD1-CG 3.69Å; I639-F658 HydrophobicContact CG2-CD2 4.3Å; I639-F658 HydrophobicContact CG2-CE2 4.35Å; H645-F658 AromaticContact CD2-CZ 3.79Å; H645-F658 AromaticContact NE2-CZ 3.71Å; F658-A676 HydrophobicContact CB-CB 3.89Å; F658-A676 PolarHBondContact O-N 2.84Å; F658-F691 HydrophobicContact CD2-CD1 4.4Å; F658-F691 AromaticContact CD2-CD2 3.49Å; F658-F691 HydrophobicContact CD2-CD2 3.49Å; F658-F691 VanDerWaalsContact CD2-CD2 3.49Å; F658-F691 AromaticContact CD2-CE2 3.71Å; F658-F691 HydrophobicContact CD2-CE2 3.71Å; F658-F691 AromaticContact CD2-CG 3.92Å; F658-F691 HydrophobicContact CD2-CG 3.92Å; F658-F691 HydrophobicContact CD2-CZ 4.21Å; F658-F691 AromaticContact CE2-CD2 3.5Å; F658-F691 HydrophobicContact CE2-CD2 3.5Å; F658-F691 VanDerWaalsContact CE2-CD2 3.5Å; F658-F691 AromaticContact CE2-CE2 3.36Å; F658-F691 HydrophobicContact CE2-CE2 3.36Å; F658-F691 HydrophobicContact CE2-CG 4.37Å; F658-F691 HydrophobicContact CE2-CZ 4.06Å; F658-V714 HydrophobicContact CB-CG1 4.19Å; F658-V714 HydrophobicContact CD1-CG1 4.29Å; F658-V714 HydrophobicContact CG-CG1 4.44Å; F658-I715 WeakPolarHBondContact CA-O 3.32Å; F658-D716 HydrophobicContact CD1-CB 4.13Å; F658-D716 HydrophobicContact CE1-CB 3.88Å; F658-I723 HydrophobicContact CD1-CD1 3.42Å; F658-I723 VanDerWaalsContact CD1-CD1 3.42Å; F658-I723 HydrophobicContact CE1-CD1 3.13Å; F658-I723 HydrophobicContact CZ-CD1 4.09Å
659	I	61.4	Low	49.1	Very low	5 Å²	5	66.6 Å²	66.6	3%	0.026	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.1	178	-66.7	175.4	0	0	0	106.6	R502 E503 W673 I715	R502-I659 HydrophobicContact CB-CD1 4.31Å; E503-I659 HydrophobicContact CB-CD1 4.09Å; E503-I659 HydrophobicContact CB-CG1 4.26Å; E503-I659 HydrophobicContact CB-CG2 4.35Å; E503-I659 HydrophobicContact CG-CB 4.28Å; E503-I659 HydrophobicContact CG-CD1 4.28Å; E503-I659 HydrophobicContact CG-CG1 3.95Å; E503-I659 HydrophobicContact CG-CG2 3.6Å; I659-W673 HydrophobicContact CB-CE3 4.24Å; I659-W673 HydrophobicContact CB-CZ3 4.47Å; I659-W673 HydrophobicContact CG2-CB 4.4Å; I659-W673 HydrophobicContact CG2-CD2 3.54Å; I659-W673 HydrophobicContact CG2-CE3 2.95Å; I659-W673 HydrophobicContact CG2-CG 4.18Å; I659-W673 HydrophobicContact CG2-CH2 4.37Å; I659-W673 HydrophobicContact CG2-CZ3 3.42Å; I659-W673 VanDerWaalsContact CG2-CZ3 3.42Å; I659-I715 PolarHBondContact N-O 3.21Å; I659-I715 PolarHBondContact O-N 3.33Å
660	V	65.4	Low	49.8	Very low	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.7	-170.2	-178.5	0	0	0	0	111	Y637 I639 W673 S674 L695 L712 S713 V714	Y637-V660 HydrophobicContact CD1-CG1 4.27Å; Y637-V660 HydrophobicContact CD2-CG1 4.25Å; Y637-V660 HydrophobicContact CD2-CG2 4.33Å; Y637-V660 HydrophobicContact CE1-CB 4.06Å; Y637-V660 HydrophobicContact CE1-CG1 3.93Å; Y637-V660 HydrophobicContact CE2-CB 3.83Å; Y637-V660 HydrophobicContact CE2-CG1 3.92Å; Y637-V660 HydrophobicContact CE2-CG2 3.44Å; Y637-V660 VanDerWaalsContact CE2-CG2 3.44Å; Y637-V660 HydrophobicContact CG-CG1 4.43Å; Y637-V660 VanDerWaalsContact CZ-CB 3.49Å; Y637-V660 WeakPolarHBondContact OH-CB 3.48Å; Y637-V660 WeakPolarHBondContact OH-CG2 2.67Å; I639-V660 HydrophobicContact CD1-CG2 4.32Å; V660-W673 CarbonylContact O-C 3.57Å; V660-W673 WeakPolarHBondContact O-CA 3.4Å; V660-W673 VanDerWaalsContact O-CE3 3.32Å; V660-S674 PolarHBondContact N-O 2.89Å; V660-S674 PolarHBondContact O-N 3.28Å; V660-L695 HydrophobicContact CG1-CD1 4.35Å; V660-L695 HydrophobicContact CG1-CD2 4.36Å; V660-L695 VanDerWaalsContact O-CD2 3.29Å; V660-L695 WeakPolarHBondContact O-CD2 3.39Å; V660-L712 HydrophobicContact CG1-CD1 3.19Å; V660-L712 HydrophobicContact CG1-CD2 3.79Å; V660-L712 HydrophobicContact CG1-CG 3.44Å; V660-L712 VanDerWaalsContact CG1-CG 3.44Å; V660-S713 CarbonylContact C-O 3.57Å; V660-S713 VanDerWaalsContact CA-O 3.27Å; V660-S713 WeakPolarHBondContact CA-O 3.35Å; V660-V714 HydrophobicContact CG1-CG2 4.12Å; V660-V714 HydrophobicContact CG2-CB 4.43Å; V660-V714 HydrophobicContact CG2-CG1 4.15Å; V660-V714 HydrophobicContact CG2-CG2 3.86Å
661	K	63.6	Low	50.6	Low	13 Å²	13	57.7 Å²	57.7	6%	0.057	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	149.3	175.7	-176.4	168.5	-162	-171.8	0	112.4	L663 P669 S671 W673 S713	K661-L663 HydrophobicContact CD-CD2 4.23Å; K661-L663 HydrophobicContact CG-CD2 4.16Å; K661-P669 HydrophobicContact CD-CB 4.15Å; K661-S671 WeakPolarHBondContact CE-O 3.49Å; K661-W673 HydrophobicContact CB-CD2 3.51Å; K661-W673 HydrophobicContact CB-CE3 3.22Å; K661-W673 HydrophobicContact CB-CG 4.29Å; K661-W673 HydrophobicContact CB-CH2 3.52Å; K661-W673 HydrophobicContact CB-CZ2 3.71Å; K661-W673 HydrophobicContact CB-CZ3 3.27Å; K661-W673 HydrophobicContact CD-CD2 3.62Å; K661-W673 HydrophobicContact CD-CE3 4.23Å; K661-W673 HydrophobicContact CD-CG 3.94Å; K661-W673 HydrophobicContact CD-CH2 4.17Å; K661-W673 HydrophobicContact CD-CZ2 3.46Å; K661-W673 VanDerWaalsContact CD-CZ2 3.46Å; K661-W673 HydrophobicContact CG-CD2 4.18Å; K661-W673 HydrophobicContact CG-CE3 4.34Å; K661-W673 HydrophobicContact CG-CH2 4.48Å; K661-W673 HydrophobicContact CG-CZ2 4.23Å; K661-S713 PolarHBondContact N-O 3.25Å; K661-S713 PolarHBondContact O-N 3.36Å
662	L	61.9	Low	51.6	Low	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	118	175.1	-155.3	67.9	0	0	0	110	F615 L635 I670 S671 L710 Y711 L712 L741	F615-L662 HydrophobicContact CZ-CD1 4.25Å; L635-L662 HydrophobicContact CD1-CD2 3.71Å; L662-I670 HydrophobicContact CD2-CG2 4.49Å; L662-I670 PolarHBondContact O-N 2.86Å; L662-S671 VanDerWaalsContact CB-OG 3.31Å; L662-S671 WeakPolarHBondContact CB-OG 3.3Å; L662-S671 PolarHBondContact N-OG 2.78Å; L662-S671 PolarHBondContact O-N 2.93Å; L662-L710 HydrophobicContact CD1-CB 3.7Å; L662-L710 HydrophobicContact CD2-CB 4.19Å; L662-L710 HydrophobicContact CD2-CD1 3.84Å; L662-L710 HydrophobicContact CD2-CG 4.42Å; L662-L710 HydrophobicContact CG-CB 3.8Å; L662-L710 HydrophobicContact CG-CD1 4.34Å; L662-L710 HydrophobicContact CG-CD2 4.39Å; L662-L710 HydrophobicContact CG-CG 4.39Å; L662-Y711 CarbonylContact C-O 3.56Å; L662-Y711 VanDerWaalsContact CA-O 3.32Å; L662-Y711 WeakPolarHBondContact CA-O 3.49Å; L662-L712 HydrophobicContact CD1-CD1 4.36Å; L662-L741 HydrophobicContact CD2-CD1 4.14Å
663	L	52.5	Low	52.8	Low	24 Å²	24	50.8 Å²	50.8	13%	0.126	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.5	176.9	-53.9	175.7	0	0	0	109.5	K661 V668 P669 L710 Y711	K661-L663 HydrophobicContact CD-CD2 4.23Å; K661-L663 HydrophobicContact CG-CD2 4.16Å; L663-V668 CarbonylContact C-O 3.5Å; L663-V668 WeakPolarHBondContact CA-O 3.12Å; L663-P669 HydrophobicContact CD2-CB 4.1Å; L663-L710 CarbonylContact O-C 3.45Å; L663-L710 WeakPolarHBondContact O-CA 3.3Å; L663-Y711 PolarHBondContact N-O 2.79Å; L663-Y711 PolarHBondContact O-N 2.85Å
664	T	50.7	Low	54	Low	2 Å²	2	38.7 Å²	38.7	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	167.4	161.1	59.3	0	0	0	0	111.1	F666 G667 V668 I670 Y711	T664-F666 PolarHBondContact O-N 2.92Å; T664-F666 PolarHBondContact OG1-N 3.06Å; T664-G667 PolarHBondContact O-N 2.91Å; T664-V668 HydrophobicContact CG2-CB 4.1Å; T664-V668 PolarHBondContact N-O 3.07Å; T664-V668 WeakPolarHBondContact OG1-CA 3.29Å; T664-V668 VanDerWaalsContact OG1-CB 3.25Å; T664-V668 WeakPolarHBondContact OG1-CB 2.92Å; T664-V668 PolarHBondContact OG1-N 2.69Å; T664-V668 PolarHBondContact OG1-O 2.75Å; T664-I670 HydrophobicContact CG2-CD1 3.17Å; T664-I670 HydrophobicContact CG2-CG1 3.79Å; T664-Y711 WeakPolarHBondContact O-CD2 3.41Å
665	S	46.3	Very low	55.5	Low	14 Å²	14	31.8 Å²	31.8	10%	0.098	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.6	-43.3	162.8	47.9	0	0	0	0	113.5	S32 G667 E709	S32-S665 PolarHBondContact OG-O 3.48Å; S665-G667 PolarHBondContact O-N 3.37Å; S665-E709 PolarHBondContact N-O 2.95Å; S665-E709 VanDerWaalsContact N-O 3.16Å
666	F	39.1	Very low	56.7	Low	134 Å²	134	30.1 Å²	30.1	59%	0.588	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	6.8	-179.9	-62.1	-76.6	0	0	0	114.8	T664 V668	T664-F666 PolarHBondContact O-N 2.92Å; T664-F666 PolarHBondContact OG1-N 3.06Å; F666-V668 HydrophobicContact CB-CG2 4.17Å; F666-V668 PolarHBondContact O-N 3.25Å
667	G	42.7	Very low	57.4	Low	23 Å²	23	31 Å²	31	24%	0.237	16%	0.156	C	C	.	.	S	Bend	trans	75.4	3.6	-174.9	0	0	0	0	0	114.1	T664 S665	T664-G667 PolarHBondContact O-N 2.91Å; S665-G667 PolarHBondContact O-N 3.37Å
668	V	46.9	Very low	57.4	Low	81 Å²	81	34.5 Å²	34.5	49%	0.491	18%	0.176	S	C	.	.			trans	-69.8	126.2	175.4	-176.5	0	0	0	0	109.5	L663 T664 F666	L663-V668 CarbonylContact C-O 3.5Å; L663-V668 WeakPolarHBondContact CA-O 3.12Å; T664-V668 HydrophobicContact CG2-CB 4.1Å; T664-V668 PolarHBondContact N-O 3.07Å; T664-V668 WeakPolarHBondContact OG1-CA 3.29Å; T664-V668 VanDerWaalsContact OG1-CB 3.25Å; T664-V668 WeakPolarHBondContact OG1-CB 2.92Å; T664-V668 PolarHBondContact OG1-N 2.69Å; T664-V668 PolarHBondContact OG1-O 2.75Å; F666-V668 HydrophobicContact CB-CG2 4.17Å; F666-V668 PolarHBondContact O-N 3.25Å
669	P	50.3	Low	56.9	Low	53 Å²	53	36 Å²	36	34%	0.344	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-71.2	131.1	-179.8	27.1	-34	0	0	0	113.7	K661 L663	K661-P669 HydrophobicContact CD-CB 4.15Å; L663-P669 HydrophobicContact CD2-CB 4.1Å
670	I	56.7	Low	56.3	Low	6 Å²	6	41.9 Å²	41.9	3%	0.031	22%	0.222	C	C	.	.			trans	-107	-34.2	176.9	-74	169.3	0	0	0	112.7	L662 T664 I697 Q698 L701 L710	L662-I670 HydrophobicContact CD2-CG2 4.49Å; L662-I670 PolarHBondContact O-N 2.86Å; T664-I670 HydrophobicContact CG2-CD1 3.17Å; T664-I670 HydrophobicContact CG2-CG1 3.79Å; I670-I697 HydrophobicContact CG2-CG2 3.74Å; I670-Q698 PolarHBondContact O-N 2.9Å; I670-Q698 VanDerWaalsContact O-N 3.11Å; I670-L701 HydrophobicContact CD1-CD2 3.94Å; I670-L701 HydrophobicContact CG2-CD2 4.35Å; I670-L710 HydrophobicContact CD1-CD2 3.11Å; I670-L710 HydrophobicContact CD1-CG 4.46Å; I670-L710 HydrophobicContact CG1-CD2 4.32Å
671	S	57.7	Low	55.3	Low	3 Å²	3	49.9 Å²	49.9	2%	0.021	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-101.7	164	176.8	75.4	0	0	0	0	112.6	K661 L662 L695 S696	K661-S671 WeakPolarHBondContact CE-O 3.49Å; L662-S671 VanDerWaalsContact CB-OG 3.31Å; L662-S671 WeakPolarHBondContact CB-OG 3.3Å; L662-S671 PolarHBondContact N-OG 2.78Å; L662-S671 PolarHBondContact O-N 2.93Å; S671-L695 WeakPolarHBondContact OG-CD2 3.03Å; S671-S696 CarbonylContact C-O 3.54Å; S671-S696 WeakPolarHBondContact CA-O 3.29Å; S671-S696 VanDerWaalsContact CB-O 3.28Å; S671-S696 WeakPolarHBondContact CB-O 3.24Å
672	E	59.1	Low	54.4	Low	83 Å²	83	52.6 Å²	52.6	39%	0.388	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-63.3	161.5	154.7	-64.2	-167.7	-177	0	0	110.6	S696 Q698	E672-S696 PolarHBondContact N-O 3.18Å; E672-Q698 VanDerWaalsContact CG-CD 3.45Å; E672-Q698 HydrophobicContact CG-CG 3.66Å; E672-Q698 VanDerWaalsContact CG-NE2 3.26Å; E672-Q698 PolarHBondContact OE1-NE2 2.73Å
673	W	61.7	Low	53.2	Low	31 Å²	31	59.3 Å²	59.3	12%	0.117	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-68.8	130.8	166.8	-74.8	104.2	0	0	0	110.4	Q501 E503 I659 V660 K661 I715	Q501-W673 WeakPolarHBondContact O-CZ2 3.44Å; Q501-W673 PolarHBondContact O-NE1 2.91Å; E503-W673 HydrophobicContact CB-CB 4.36Å; E503-W673 HydrophobicContact CG-CB 3.36Å; E503-W673 HydrophobicContact CG-CG 4.12Å; I659-W673 HydrophobicContact CB-CE3 4.24Å; I659-W673 HydrophobicContact CB-CZ3 4.47Å; I659-W673 HydrophobicContact CG2-CB 4.4Å; I659-W673 HydrophobicContact CG2-CD2 3.54Å; I659-W673 HydrophobicContact CG2-CE3 2.95Å; I659-W673 HydrophobicContact CG2-CG 4.18Å; I659-W673 HydrophobicContact CG2-CH2 4.37Å; I659-W673 HydrophobicContact CG2-CZ3 3.42Å; I659-W673 VanDerWaalsContact CG2-CZ3 3.42Å; V660-W673 CarbonylContact O-C 3.57Å; V660-W673 WeakPolarHBondContact O-CA 3.4Å; V660-W673 VanDerWaalsContact O-CE3 3.32Å; K661-W673 HydrophobicContact CB-CD2 3.51Å; K661-W673 HydrophobicContact CB-CE3 3.22Å; K661-W673 HydrophobicContact CB-CG 4.29Å; K661-W673 HydrophobicContact CB-CH2 3.52Å; K661-W673 HydrophobicContact CB-CZ2 3.71Å; K661-W673 HydrophobicContact CB-CZ3 3.27Å; K661-W673 HydrophobicContact CD-CD2 3.62Å; K661-W673 HydrophobicContact CD-CE3 4.23Å; K661-W673 HydrophobicContact CD-CG 3.94Å; K661-W673 HydrophobicContact CD-CH2 4.17Å; K661-W673 HydrophobicContact CD-CZ2 3.46Å; K661-W673 VanDerWaalsContact CD-CZ2 3.46Å; K661-W673 HydrophobicContact CG-CD2 4.18Å; K661-W673 HydrophobicContact CG-CE3 4.34Å; K661-W673 HydrophobicContact CG-CH2 4.48Å; K661-W673 HydrophobicContact CG-CZ2 4.23Å; W673-I715 HydrophobicContact CH2-CD1 3.63Å; W673-I715 HydrophobicContact CZ2-CD1 4.45Å; W673-I715 HydrophobicContact CZ3-CD1 4.16Å
674	S	63.1	Low	53	Low	7 Å²	7	62.3 Å²	62.3	5%	0.049	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	135.3	173.6	172.6	0	0	0	0	111.5	Y637 V660 S694 L695	Y637-S674 VanDerWaalsContact CE1-OG 3.25Å; Y637-S674 WeakPolarHBondContact CE1-OG 3.26Å; Y637-S674 WeakPolarHBondContact OH-CB 3.42Å; Y637-S674 PolarHBondContact OH-O 2.76Å; Y637-S674 PolarHBondContact OH-OG 2.83Å; V660-S674 PolarHBondContact N-O 2.89Å; V660-S674 PolarHBondContact O-N 3.28Å; S674-S694 VanDerWaalsContact CB-O 3.24Å; S674-S694 WeakPolarHBondContact CB-O 3.38Å; S674-S694 VanDerWaalsContact OG-C 3.32Å; S674-S694 PolarHBondContact OG-N 3.48Å; S674-S694 VanDerWaalsContact OG-N 3.09Å; S674-S694 PolarHBondContact OG-O 2.93Å; S674-L695 VanDerWaalsContact CB-CD2 3.43Å
675	N	68.4	Low	52.8	Low	22 Å²	22	70.9 Å²	70.9	12%	0.118	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	128.6	171.7	-88.7	-88.9	0	0	0	110.2	E503 Y637 K656 Y677	E503-N675 WeakPolarHBondContact OE1-CA 2.84Å; E503-N675 VanDerWaalsContact OE1-CG 3.22Å; E503-N675 PolarHBondContact OE1-N 2.81Å; E503-N675 PolarHBondContact OE1-ND2 2.76Å; E503-N675 PolarHBondContact OE2-ND2 3.34Å; E503-N675 PolarHBondContact OE2-OD1 3.39Å; Y637-N675 VanDerWaalsContact OH-C 3.27Å; Y637-N675 PolarHBondContact OH-O 2.98Å; K656-N675 WeakPolarHBondContact CB-OD1 3.26Å; K656-N675 WeakPolarHBondContact CD-OD1 3.14Å; K656-N675 WeakPolarHBondContact CE-OD1 3.01Å; K656-N675 VanDerWaalsContact CG-OD1 3.24Å; K656-N675 WeakPolarHBondContact CG-OD1 3.21Å; K656-N675 PolarHBondContact NZ-ND2 3.09Å; K656-N675 VanDerWaalsContact NZ-ND2 3.11Å; K656-N675 PolarHBondContact NZ-OD1 2.82Å; N675-Y677 HydrophobicContact CB-CD2 4.33Å; N675-Y677 HydrophobicContact CB-CE1 4.38Å; N675-Y677 HydrophobicContact CB-CE2 3.68Å; N675-Y677 VanDerWaalsContact O-CD2 3.23Å; N675-Y677 WeakPolarHBondContact O-CD2 3.13Å; N675-Y677 VanDerWaalsContact O-CE2 3.27Å; N675-Y677 WeakPolarHBondContact O-CE2 3.31Å
676	A	67.3	Low	52.6	Low	0 Å²	0	78 Å²	78	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	122.1	164.1	0	0	0	0	0	109.5	Y637 I639 F658 F691	Y637-A676 HydrophobicContact CE2-CB 3.97Å; Y637-A676 PolarHBondContact OH-N 3.36Å; I639-A676 HydrophobicContact CD1-CB 3.62Å; I639-A676 HydrophobicContact CG1-CB 4.44Å; F658-A676 HydrophobicContact CB-CB 3.89Å; F658-A676 PolarHBondContact O-N 2.84Å; A676-F691 HydrophobicContact CB-CB 3.51Å; A676-F691 HydrophobicContact CB-CD1 4.35Å; A676-F691 HydrophobicContact CB-CG 4.21Å; A676-F691 WeakPolarHBondContact O-CD1 3.06Å
677	Y	64.8	Low	53	Low	123 Å²	123	78 Å²	78	48%	0.482	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.7	-179.3	-61.7	-89.9	0	0	0	110.8	N675 T679 F691 T692	N675-Y677 HydrophobicContact CB-CD2 4.33Å; N675-Y677 HydrophobicContact CB-CE1 4.38Å; N675-Y677 HydrophobicContact CB-CE2 3.68Å; N675-Y677 VanDerWaalsContact O-CD2 3.23Å; N675-Y677 WeakPolarHBondContact O-CD2 3.13Å; N675-Y677 VanDerWaalsContact O-CE2 3.27Å; N675-Y677 WeakPolarHBondContact O-CE2 3.31Å; Y677-T679 PolarHBondContact O-N 3.4Å; Y677-F691 CarbonylContact O-C 3.54Å; Y677-F691 WeakPolarHBondContact O-CA 3.23Å; Y677-T692 PolarHBondContact N-O 2.9Å; Y677-T692 PolarHBondContact O-N 2.48Å
678	I	61.3	Low	53.4	Low	101 Å²	101	77.8 Å²	77.8	52%	0.518	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	126.7	177.8	-61.8	173.3	0	0	0	109.9	C690 F691	I678-C690 VanDerWaalsContact CA-O 3.31Å; I678-C690 WeakPolarHBondContact CA-O 3.48Å; I678-F691 HydrophobicContact CB-CD1 4.39Å; I678-F691 HydrophobicContact CB-CE1 4.32Å; I678-F691 HydrophobicContact CD1-CE1 3.97Å; I678-F691 HydrophobicContact CD1-CZ 4.18Å; I678-F691 HydrophobicContact CG1-CD1 3.63Å; I678-F691 HydrophobicContact CG1-CE1 3.13Å; I678-F691 HydrophobicContact CG1-CZ 3.64Å
679	T	54.3	Low	53.6	Low	32 Å²	32	78 Å²	78	20%	0.196	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-76.6	126.9	167.8	39.1	0	0	0	0	110.2	Y677 Y689 C690 T692	Y677-T679 PolarHBondContact O-N 3.4Å; T679-Y689 PolarHBondContact OG1-O 3.06Å; T679-C690 PolarHBondContact N-O 2.65Å; T679-T692 HydrophobicContact CG2-CG2 3.22Å; T679-T692 WeakPolarHBondContact CG2-OG1 3.45Å
680	T	49.3	Very low	54.1	Low	127 Å²	127	76 Å²	76	78%	0.779	39%	0.389	S	S	*	.	S	Bend	trans	-40.5	136.5	-173.2	47	0	0	0	0	116.6	I682	T680-I682 WeakPolarHBondContact O-CG1 3.3Å; T680-I682 PolarHBondContact O-N 3.03Å
681	N	43.5	Very low	54.6	Low	169 Å²	169	76 Å²	76	90%	0.904	39%	0.389	S	S	*	.			trans	27.8	74	162.8	-79.3	3.2	0	0	0	117.3
682	I	43.8	Very low	55.2	Low	69 Å²	69	77.3 Å²	77.3	35%	0.354	40%	0.396	S	S	.	.			trans	-104.4	101.8	176.7	-62.5	172.4	0	0	0	110.5	T680 C684 C688 Y689	T680-I682 WeakPolarHBondContact O-CG1 3.3Å; T680-I682 PolarHBondContact O-N 3.03Å; I682-C684 HydrophobicContact CG2-CB 3.43Å; I682-C684 VanDerWaalsContact CG2-CB 3.43Å; I682-C688 HydrophobicContact CG2-CB 4.14Å; I682-Y689 WeakPolarHBondContact CD1-O 3.33Å
683	T	37.8	Very low	56	Low	141 Å²	141	73.9 Å²	73.9	87%	0.865	38%	0.383	S	S	*	.			trans	-77.8	95.4	151.2	46.9	0	0	0	0	108.1
684	C	47.3	Very low	56.8	Low	87 Å²	87	75.3 Å²	75.3	59%	0.588	40%	0.398	S	S	*	.			trans	-145	150.7	174.8	-87.3	0	0	0	0	112.5	I682 C688	I682-C684 HydrophobicContact CG2-CB 3.43Å; I682-C684 VanDerWaalsContact CG2-CB 3.43Å; C684-C688 WeakPolarHBondContact CB-SG 3.23Å
685	H	46.7	Very low	57.2	Low	182 Å²	182	75 Å²	75	84%	0.843	40%	0.396	S	S	*	.	S	Bend	trans	-96.9	-19.4	-165.1	-91.2	-53.8	0	0	0	116.4
686	H	42.4	Very low	57.3	Low	164 Å²	164	76.3 Å²	76.3	76%	0.759	41%	0.407	S	S	*	.	S	Bend	trans	-163.7	138	169.9	-82	-60.3	0	0	0	109.3
687	H	47.3	Very low	57.1	Low	135 Å²	135	76.9 Å²	76.9	63%	0.625	41%	0.41	S	S	*	.			trans	71.1	49.5	177.2	-51.9	-54.9	0	0	0	118.2	D641	D641-H687 WeakPolarHBondContact OD1-CA 3.44Å; D641-H687 IonicContact OD1-CE1 3.86Å; D641-H687 IonicContact OD1-CG 3.76Å; D641-H687 IonicContact OD1-ND1 2.89Å; D641-H687 PolarHBondContact OD1-ND1 3.28Å; D641-H687 IonicContact OD2-ND1 3.72Å
688	C	51	Low	56.9	Low	18 Å²	18	75.8 Å²	75.8	12%	0.122	41%	0.409	C	S	.	.			trans	-78.1	139.4	176.4	-54.1	0	0	0	0	112.6	R640 D641 I682 C684 C690	R640-C688 VanDerWaalsContact CA-O 3.3Å; R640-C688 WeakPolarHBondContact CA-O 3.48Å; D641-C688 PolarHBondContact N-O 2.89Å; I682-C688 HydrophobicContact CG2-CB 4.14Å; C684-C688 WeakPolarHBondContact CB-SG 3.23Å; C688-C690 PolarHBondContact O-N 3.09Å
689	Y	51.7	Low	56.5	Low	86 Å²	86	76 Å²	76	34%	0.337	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	120.3	152.9	-58.8	-64.7	0	0	0	108.1	V638 R640 T679 I682	V638-Y689 HydrophobicContact CB-CD1 4.22Å; V638-Y689 HydrophobicContact CG1-CD1 3.27Å; V638-Y689 HydrophobicContact CG1-CE1 3.98Å; V638-Y689 HydrophobicContact CG1-CG 3.95Å; R640-Y689 HydrophobicContact CG-CD1 3.74Å; R640-Y689 HydrophobicContact CG-CE1 4.2Å; R640-Y689 PolarHBondContact NH2-OH 3.01Å; T679-Y689 PolarHBondContact OG1-O 3.06Å; I682-Y689 WeakPolarHBondContact CD1-O 3.33Å
690	C	61.4	Low	56.4	Low	11 Å²	11	79.5 Å²	79.5	7%	0.074	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-34.5	179.8	-2.9	0	0	0	0	111.7	I639 C642 I678 T679 C688	I639-C690 PolarHBondContact O-N 2.87Å; C642-C690 VanDerWaalsContact CA-SG 3.57Å; C642-C690 HydrophobicContact CB-CB 3.62Å; C642-C690 WeakPolarHBondContact CB-SG 3.28Å; C642-C690 PolarHBondContact N-SG 2.83Å; C642-C690 WeakPolarHBondContact SG-CB 3.48Å; C642-C690 CovalentContact SG-SG 2.03Å; C642-C690 PolarHBondContact SG-SG 2.7Å; I678-C690 VanDerWaalsContact CA-O 3.31Å; I678-C690 WeakPolarHBondContact CA-O 3.48Å; T679-C690 PolarHBondContact N-O 2.65Å; C688-C690 PolarHBondContact O-N 3.09Å
691	F	66.8	Low	56.4	Low	5 Å²	5	75 Å²	75	2%	0.022	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	139.5	178	-58.9	-101.1	0	0	0	112.9	V638 I639 F649 R657 F658 A676 Y677 I678	V638-F691 CarbonylContact C-O 3.42Å; V638-F691 WeakPolarHBondContact CA-O 3.28Å; V638-F691 WeakPolarHBondContact CG1-O 3.38Å; I639-F691 HydrophobicContact CB-CB 4.17Å; I639-F691 HydrophobicContact CD1-CB 4.32Å; I639-F691 HydrophobicContact CG1-CB 4.45Å; I639-F691 PolarHBondContact N-O 3.06Å; I639-F691 PolarHBondContact O-N 3.02Å; F649-F691 HydrophobicContact CE1-CZ 4.28Å; R657-F691 HydrophobicContact CB-CE1 4.21Å; R657-F691 HydrophobicContact CB-CZ 4.14Å; F658-F691 HydrophobicContact CD2-CD1 4.4Å; F658-F691 AromaticContact CD2-CD2 3.49Å; F658-F691 HydrophobicContact CD2-CD2 3.49Å; F658-F691 VanDerWaalsContact CD2-CD2 3.49Å; F658-F691 AromaticContact CD2-CE2 3.71Å; F658-F691 HydrophobicContact CD2-CE2 3.71Å; F658-F691 AromaticContact CD2-CG 3.92Å; F658-F691 HydrophobicContact CD2-CG 3.92Å; F658-F691 HydrophobicContact CD2-CZ 4.21Å; F658-F691 AromaticContact CE2-CD2 3.5Å; F658-F691 HydrophobicContact CE2-CD2 3.5Å; F658-F691 VanDerWaalsContact CE2-CD2 3.5Å; F658-F691 AromaticContact CE2-CE2 3.36Å; F658-F691 HydrophobicContact CE2-CE2 3.36Å; F658-F691 HydrophobicContact CE2-CG 4.37Å; F658-F691 HydrophobicContact CE2-CZ 4.06Å; A676-F691 HydrophobicContact CB-CB 3.51Å; A676-F691 HydrophobicContact CB-CD1 4.35Å; A676-F691 HydrophobicContact CB-CG 4.21Å; A676-F691 WeakPolarHBondContact O-CD1 3.06Å; Y677-F691 CarbonylContact O-C 3.54Å; Y677-F691 WeakPolarHBondContact O-CA 3.23Å; I678-F691 HydrophobicContact CB-CD1 4.39Å; I678-F691 HydrophobicContact CB-CE1 4.32Å; I678-F691 HydrophobicContact CD1-CE1 3.97Å; I678-F691 HydrophobicContact CD1-CZ 4.18Å; I678-F691 HydrophobicContact CG1-CD1 3.63Å; I678-F691 HydrophobicContact CG1-CE1 3.13Å; I678-F691 HydrophobicContact CG1-CZ 3.64Å
692	T	70	Confident	56.3	Low	30 Å²	30	70.1 Å²	70.1	18%	0.184	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.5	173.1	52.6	0	0	0	0	110.4	L620 Y637 V638 Y677 T679	L620-T692 HydrophobicContact CD2-CG2 4.01Å; Y637-T692 CarbonylContact O-C 3.57Å; Y637-T692 WeakPolarHBondContact O-CA 3.29Å; V638-T692 HydrophobicContact CB-CG2 4.41Å; V638-T692 HydrophobicContact CG1-CG2 3.91Å; V638-T692 HydrophobicContact CG2-CG2 3.76Å; Y677-T692 PolarHBondContact N-O 2.9Å; Y677-T692 PolarHBondContact O-N 2.48Å; T679-T692 HydrophobicContact CG2-CG2 3.22Å; T679-T692 WeakPolarHBondContact CG2-OG1 3.45Å
693	G	76.2	Confident	56	Low	11 Å²	11	74.8 Å²	74.8	11%	0.113	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	174.5	174.2	0	0	0	0	0	113.4	N636 Y637	N636-G693 WeakPolarHBondContact CA-O 3.49Å; Y637-G693 WeakPolarHBondContact CD1-O 3.31Å; Y637-G693 PolarHBondContact N-O 2.96Å; Y637-G693 PolarHBondContact O-N 3.43Å
694	S	78.2	Confident	55.9	Low	62 Å²	62	71.6 Å²	71.6	43%	0.434	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	124.3	-177.7	64.8	0	0	0	0	111.7	L635 N636 S674	L635-S694 CarbonylContact O-C 3.56Å; L635-S694 VanDerWaalsContact O-CA 3.27Å; L635-S694 WeakPolarHBondContact O-CA 3.41Å; N636-S694 VanDerWaalsContact OD1-CB 3.29Å; N636-S694 WeakPolarHBondContact OD1-CB 3.46Å; S674-S694 VanDerWaalsContact CB-O 3.24Å; S674-S694 WeakPolarHBondContact CB-O 3.38Å; S674-S694 VanDerWaalsContact OG-C 3.32Å; S674-S694 PolarHBondContact OG-N 3.48Å; S674-S694 VanDerWaalsContact OG-N 3.09Å; S674-S694 PolarHBondContact OG-O 2.93Å
695	L	71.2	Confident	55.5	Low	1 Å²	1	71 Å²	71	1%	0.005	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136.5	179.1	-64.1	153.7	0	0	0	110.7	F615 I634 L635 Y637 V660 S671 S674 L712	F615-L695 HydrophobicContact CE1-CD1 3.96Å; F615-L695 HydrophobicContact CZ-CD1 4.18Å; I634-L695 CarbonylContact C-O 3.4Å; I634-L695 VanDerWaalsContact CA-O 3.27Å; I634-L695 WeakPolarHBondContact CA-O 3.34Å; L635-L695 HydrophobicContact CB-CB 4.34Å; L635-L695 PolarHBondContact N-O 3.07Å; L635-L695 PolarHBondContact O-N 3.3Å; Y637-L695 HydrophobicContact CD1-CD1 3.85Å; Y637-L695 HydrophobicContact CD1-CG 3.99Å; Y637-L695 HydrophobicContact CE1-CD1 4.14Å; Y637-L695 HydrophobicContact CE1-CD2 4.42Å; Y637-L695 HydrophobicContact CE1-CG 3.84Å; V660-L695 HydrophobicContact CG1-CD1 4.35Å; V660-L695 HydrophobicContact CG1-CD2 4.36Å; V660-L695 VanDerWaalsContact O-CD2 3.29Å; V660-L695 WeakPolarHBondContact O-CD2 3.39Å; S671-L695 WeakPolarHBondContact OG-CD2 3.03Å; S674-L695 VanDerWaalsContact CB-CD2 3.43Å; L695-L712 HydrophobicContact CD1-CD1 3.5Å; L695-L712 VanDerWaalsContact CD1-CD1 3.5Å
696	S	71.3	Confident	55	Low	49 Å²	49	67.1 Å²	67.1	34%	0.343	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.6	171.6	-177.2	0	0	0	0	110.6	R633 S671 E672	R633-S696 CarbonylContact O-C 3.52Å; R633-S696 WeakPolarHBondContact O-CA 3.08Å; S671-S696 CarbonylContact C-O 3.54Å; S671-S696 WeakPolarHBondContact CA-O 3.29Å; S671-S696 VanDerWaalsContact CB-O 3.28Å; S671-S696 WeakPolarHBondContact CB-O 3.24Å; E672-S696 PolarHBondContact N-O 3.18Å
697	I	63.8	Low	54.9	Low	11 Å²	11	61.2 Å²	61.2	6%	0.056	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-84	116.3	179.2	-61.5	172.1	0	0	0	109.1	L628 R633 L635 I670 H699	L628-I697 HydrophobicContact CD1-CD1 3.39Å; L628-I697 HydrophobicContact CD2-CD1 3.6Å; L628-I697 HydrophobicContact CG-CD1 4.18Å; R633-I697 PolarHBondContact O-N 3.35Å; L635-I697 HydrophobicContact CD1-CD1 4.06Å; L635-I697 HydrophobicContact CG-CD1 4.25Å; I670-I697 HydrophobicContact CG2-CG2 3.74Å; I697-H699 WeakPolarHBondContact CG2-O 3.25Å
698	Q	58.8	Low	54.7	Low	101 Å²	101	56.5 Å²	56.5	47%	0.472	32%	0.318	S	S	.	.			trans	-89.9	-40.5	-178.9	-75	-171.4	-30.5	0	0	113	I670 E672	I670-Q698 PolarHBondContact O-N 2.9Å; I670-Q698 VanDerWaalsContact O-N 3.11Å; E672-Q698 VanDerWaalsContact CG-CD 3.45Å; E672-Q698 HydrophobicContact CG-CG 3.66Å; E672-Q698 VanDerWaalsContact CG-NE2 3.26Å; E672-Q698 PolarHBondContact OE1-NE2 2.73Å
699	H	54.5	Low	54.2	Low	104 Å²	104	56.3 Å²	56.3	48%	0.481	32%	0.315	S	S	.	.	S	Bend	trans	-94.2	134.6	-173.5	-60.1	89.1	0	0	0	109.6	I697 L701	I697-H699 WeakPolarHBondContact CG2-O 3.25Å; H699-L701 PolarHBondContact O-N 2.46Å
700	S	51.3	Low	54.1	Low	106 Å²	106	52.6 Å²	52.6	74%	0.741	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-56.8	124.4	163.3	48.3	0	0	0	0	108.1
701	L	48.7	Very low	53.6	Low	33 Å²	33	53.8 Å²	53.8	17%	0.173	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-57.1	124.6	175.8	-70.6	133.1	0	0	0	107.6	L628 I670 H699 L703 L710 I743	L628-L701 HydrophobicContact CD1-CD1 3.73Å; I670-L701 HydrophobicContact CD1-CD2 3.94Å; I670-L701 HydrophobicContact CG2-CD2 4.35Å; H699-L701 PolarHBondContact O-N 2.46Å; L701-L703 PolarHBondContact O-N 3.42Å; L701-L703 VanDerWaalsContact O-N 3.09Å; L701-L710 HydrophobicContact CD2-CD1 4.09Å; L701-I743 HydrophobicContact CB-CD1 3.76Å; L701-I743 HydrophobicContact CD1-CD1 3.58Å; L701-I743 HydrophobicContact CD1-CG1 4.43Å; L701-I743 HydrophobicContact CD2-CD1 3.83Å; L701-I743 HydrophobicContact CG-CD1 3.87Å
702	P	41.9	Very low	52.9	Low	66 Å²	66	55.1 Å²	55.1	43%	0.429	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-60.7	122.4	-174.5	-21.3	32	0	0	0	109.2	S704 H707	P702-S704 PolarHBondContact O-N 2.84Å; P702-H707 WeakPolarHBondContact CB-CD2 3.41Å; P702-H707 VanDerWaalsContact CD-CD2 3.43Å; P702-H707 WeakPolarHBondContact CD-CD2 3.33Å; P702-H707 WeakPolarHBondContact CG-CD2 3.03Å; P702-H707 VanDerWaalsContact CG-NE2 3.32Å; P702-H707 WeakPolarHBondContact CG-NE2 3.39Å
703	L	37.8	Very low	52.4	Low	168 Å²	168	54.2 Å²	54.2	88%	0.88	31%	0.307	S	S	*	.	S	Bend	trans	-74.2	65.4	-178.5	-81.1	122.7	0	0	0	110.5	L701	L701-L703 PolarHBondContact O-N 3.42Å; L701-L703 VanDerWaalsContact O-N 3.09Å
704	S	35.4	Very low	51.4	Low	74 Å²	74	53.9 Å²	53.9	52%	0.517	30%	0.302	S	S	.	.	S	Bend	trans	-168.3	144.4	168.2	52.5	0	0	0	0	107.6	P702 Y706	P702-S704 PolarHBondContact O-N 2.84Å; S704-Y706 PolarHBondContact O-N 3.37Å
705	S	38.3	Very low	50.3	Low	75 Å²	75	50.9 Å²	50.9	52%	0.524	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	25.5	-157.9	50.9	0	0	0	0	119.8	N708	S705-N708 PolarHBondContact O-ND2 2.84Å
706	Y	37.1	Very low	49.5	Very low	100 Å²	100	51 Å²	51	39%	0.392	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	0.7	-174.3	-67	-75.8	0	0	0	115.4	S704	S704-Y706 PolarHBondContact O-N 3.37Å
707	H	39.9	Very low	48.5	Very low	40 Å²	40	49.8 Å²	49.8	19%	0.185	27%	0.274	C	S	.	.			trans	-125.2	64	-173.6	-57.2	-66.1	0	0	0	113.5	P702	P702-H707 WeakPolarHBondContact CB-CD2 3.41Å; P702-H707 VanDerWaalsContact CD-CD2 3.43Å; P702-H707 WeakPolarHBondContact CD-CD2 3.33Å; P702-H707 WeakPolarHBondContact CG-CD2 3.03Å; P702-H707 VanDerWaalsContact CG-NE2 3.32Å; P702-H707 WeakPolarHBondContact CG-NE2 3.39Å
708	N	42.9	Very low	47.7	Very low	36 Å²	36	53.5 Å²	53.5	19%	0.193	30%	0.297	C	S	.	.			trans	-115.6	-8.5	-156.7	-96.4	-8.4	0	0	0	113.9	N29 S705	N29-N708 HydrophobicContact CB-CB 3.52Å; N29-N708 WeakPolarHBondContact ND2-CB 3.15Å; N29-N708 PolarHBondContact ND2-ND2 3.41Å; N29-N708 PolarHBondContact ND2-OD1 3.16Å; N29-N708 VanDerWaalsContact OD1-CG 3.31Å; N29-N708 PolarHBondContact OD1-ND2 2.77Å; S705-N708 PolarHBondContact O-ND2 2.84Å
709	E	41.3	Very low	47	Very low	14 Å²	14	50.9 Å²	50.9	7%	0.065	29%	0.286	C	S	.	.			trans	-122.6	140.3	161	-65.3	-161.3	162.8	0	0	111.2	N29 I30 S31 S665	N29-E709 WeakPolarHBondContact O-CG 3.35Å; I30-E709 WeakPolarHBondContact CA-OE1 3.04Å; I30-E709 VanDerWaalsContact CG1-OE1 3.32Å; I30-E709 WeakPolarHBondContact CG1-OE1 3.43Å; I30-E709 WeakPolarHBondContact CG2-OE1 3.43Å; S31-E709 WeakPolarHBondContact CB-OE2 3.37Å; S31-E709 PolarHBondContact OG-OE2 3Å; S665-E709 PolarHBondContact N-O 2.95Å; S665-E709 VanDerWaalsContact N-O 3.16Å
710	L	48.8	Very low	46.2	Very low	8 Å²	8	46 Å²	46	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	111.1	178.6	-65.6	177	0	0	0	108.9	L662 L663 I670 L701 L741	L662-L710 HydrophobicContact CD1-CB 3.7Å; L662-L710 HydrophobicContact CD2-CB 4.19Å; L662-L710 HydrophobicContact CD2-CD1 3.84Å; L662-L710 HydrophobicContact CD2-CG 4.42Å; L662-L710 HydrophobicContact CG-CB 3.8Å; L662-L710 HydrophobicContact CG-CD1 4.34Å; L662-L710 HydrophobicContact CG-CD2 4.39Å; L662-L710 HydrophobicContact CG-CG 4.39Å; L663-L710 CarbonylContact O-C 3.45Å; L663-L710 WeakPolarHBondContact O-CA 3.3Å; I670-L710 HydrophobicContact CD1-CD2 3.11Å; I670-L710 HydrophobicContact CD1-CG 4.46Å; I670-L710 HydrophobicContact CG1-CD2 4.32Å; L701-L710 HydrophobicContact CD2-CD1 4.09Å; L710-L741 HydrophobicContact CB-CD1 4.24Å; L710-L741 HydrophobicContact CD1-CB 3.86Å; L710-L741 HydrophobicContact CD1-CD1 3.27Å; L710-L741 HydrophobicContact CD1-CG 4.14Å; L710-L741 HydrophobicContact CG-CD1 4.28Å
711	Y	51.7	Low	45.7	Very low	35 Å²	35	47.2 Å²	47.2	14%	0.137	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	133.8	177.2	-64.5	-67.5	0	0	0	110.6	S31 Q33 L662 L663 T664 S713	S31-Y711 WeakPolarHBondContact CB-OH 3.46Å; S31-Y711 PolarHBondContact OG-OH 3.38Å; Q33-Y711 WeakPolarHBondContact CB-OH 3.48Å; Q33-Y711 VanDerWaalsContact CD-CE1 3.45Å; Q33-Y711 VanDerWaalsContact CD-OH 3.24Å; Q33-Y711 HydrophobicContact CG-CE1 4.28Å; Q33-Y711 HydrophobicContact CG-CE2 4Å; Q33-Y711 WeakPolarHBondContact CG-OH 3.46Å; Q33-Y711 PolarHBondContact OE1-OH 3.5Å; L662-Y711 CarbonylContact C-O 3.56Å; L662-Y711 VanDerWaalsContact CA-O 3.32Å; L662-Y711 WeakPolarHBondContact CA-O 3.49Å; L663-Y711 PolarHBondContact N-O 2.79Å; L663-Y711 PolarHBondContact O-N 2.85Å; T664-Y711 WeakPolarHBondContact O-CD2 3.41Å; Y711-S713 PolarHBondContact O-N 3.07Å
712	L	52.7	Low	45.3	Very low	33 Å²	33	49.3 Å²	49.3	17%	0.173	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	97.1	164.9	-161.2	70.4	0	0	0	109.1	I613 F615 Y637 V660 L662 L695 V714	I613-L712 HydrophobicContact CB-CD2 4.24Å; I613-L712 HydrophobicContact CG2-CD2 3.24Å; F615-L712 HydrophobicContact CE1-CD1 4.26Å; F615-L712 HydrophobicContact CE2-CB 4.02Å; F615-L712 HydrophobicContact CE2-CD1 3.97Å; F615-L712 HydrophobicContact CE2-CD2 3.71Å; F615-L712 HydrophobicContact CE2-CG 4.11Å; F615-L712 HydrophobicContact CZ-CB 4.22Å; F615-L712 HydrophobicContact CZ-CD1 3.37Å; F615-L712 HydrophobicContact CZ-CD2 3.9Å; F615-L712 HydrophobicContact CZ-CG 4.02Å; Y637-L712 HydrophobicContact CG-CD2 4.49Å; V660-L712 HydrophobicContact CG1-CD1 3.19Å; V660-L712 HydrophobicContact CG1-CD2 3.79Å; V660-L712 HydrophobicContact CG1-CG 3.44Å; V660-L712 VanDerWaalsContact CG1-CG 3.44Å; L662-L712 HydrophobicContact CD1-CD1 4.36Å; L695-L712 HydrophobicContact CD1-CD1 3.5Å; L695-L712 VanDerWaalsContact CD1-CD1 3.5Å; L712-V714 HydrophobicContact CD2-CG2 4.06Å; L712-V714 HydrophobicContact CG-CG2 4.11Å; L712-V714 PolarHBondContact O-N 2.99Å
713	S	58.6	Low	45.4	Very low	12 Å²	12	47.1 Å²	47.1	8%	0.084	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	119.5	170.5	-175.8	0	0	0	0	108.6	V660 K661 Y711	V660-S713 CarbonylContact C-O 3.57Å; V660-S713 VanDerWaalsContact CA-O 3.27Å; V660-S713 WeakPolarHBondContact CA-O 3.35Å; K661-S713 PolarHBondContact N-O 3.25Å; K661-S713 PolarHBondContact O-N 3.36Å; Y711-S713 PolarHBondContact O-N 3.07Å
714	V	55.4	Low	45.5	Very low	3 Å²	3	42.8 Å²	42.8	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.1	175	-178.2	0	0	0	0	109.1	I613 I639 F658 V660 L712 I723	I613-V714 HydrophobicContact CB-CG2 4.32Å; I613-V714 HydrophobicContact CD1-CB 3.65Å; I613-V714 HydrophobicContact CD1-CG1 3.98Å; I613-V714 HydrophobicContact CD1-CG2 3.4Å; I613-V714 VanDerWaalsContact CD1-CG2 3.4Å; I613-V714 HydrophobicContact CG1-CB 4.36Å; I613-V714 HydrophobicContact CG1-CG1 4.33Å; I613-V714 HydrophobicContact CG1-CG2 3.82Å; I613-V714 HydrophobicContact CG2-CG2 4.05Å; I639-V714 HydrophobicContact CD1-CG1 4.18Å; F658-V714 HydrophobicContact CB-CG1 4.19Å; F658-V714 HydrophobicContact CD1-CG1 4.29Å; F658-V714 HydrophobicContact CG-CG1 4.44Å; V660-V714 HydrophobicContact CG1-CG2 4.12Å; V660-V714 HydrophobicContact CG2-CB 4.43Å; V660-V714 HydrophobicContact CG2-CG1 4.15Å; V660-V714 HydrophobicContact CG2-CG2 3.86Å; L712-V714 HydrophobicContact CD2-CG2 4.06Å; L712-V714 HydrophobicContact CG-CG2 4.11Å; L712-V714 PolarHBondContact O-N 2.99Å; V714-I723 HydrophobicContact CG1-CB 4.48Å; V714-I723 HydrophobicContact CG1-CD1 4.14Å; V714-I723 PolarHBondContact O-N 3.07Å
715	I	54.8	Low	45.4	Very low	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.3	-177.7	-60.5	167.9	0	0	0	107.5	Y500 F658 I659 W673 S717 Y721 F722	Y500-I715 HydrophobicContact CD2-CD1 3.5Å; Y500-I715 VanDerWaalsContact CD2-CD1 3.5Å; Y500-I715 HydrophobicContact CE2-CD1 3.41Å; Y500-I715 VanDerWaalsContact CE2-CD1 3.41Å; Y500-I715 HydrophobicContact CG-CD1 4.47Å; F658-I715 WeakPolarHBondContact CA-O 3.32Å; I659-I715 PolarHBondContact N-O 3.21Å; I659-I715 PolarHBondContact O-N 3.33Å; W673-I715 HydrophobicContact CH2-CD1 3.63Å; W673-I715 HydrophobicContact CZ2-CD1 4.45Å; W673-I715 HydrophobicContact CZ3-CD1 4.16Å; I715-S717 PolarHBondContact O-N 2.74Å; I715-Y721 WeakPolarHBondContact CA-O 3.48Å; I715-F722 HydrophobicContact CD1-CE1 4.32Å; I715-F722 HydrophobicContact CG1-CD1 4.22Å; I715-F722 HydrophobicContact CG1-CE1 4.18Å
716	D	54.3	Low	45.1	Very low	3 Å²	3	43 Å²	43	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	116.9	165.8	179	-8.3	0	0	0	108.7	H645 R657 F658 T718 N719 G720 Y721 I723	H645-D716 IonicContact CE1-OD2 3.8Å; R657-D716 CarbonylContact O-C 3.59Å; F658-D716 HydrophobicContact CD1-CB 4.13Å; F658-D716 HydrophobicContact CE1-CB 3.88Å; D716-T718 VanDerWaalsContact CG-OG1 3.23Å; D716-T718 PolarHBondContact O-N 3.08Å; D716-T718 WeakPolarHBondContact OD1-CB 3.5Å; D716-T718 PolarHBondContact OD1-N 3.39Å; D716-T718 PolarHBondContact OD1-OG1 3.29Å; D716-T718 PolarHBondContact OD2-OG1 3.41Å; D716-N719 WeakPolarHBondContact CB-OD1 3.47Å; D716-N719 VanDerWaalsContact CG-OD1 3.23Å; D716-N719 PolarHBondContact O-OD1 2.97Å; D716-N719 PolarHBondContact OD2-ND2 2.9Å; D716-N719 PolarHBondContact OD2-OD1 3.36Å; D716-G720 VanDerWaalsContact O-CA 3.25Å; D716-G720 WeakPolarHBondContact O-CA 3.36Å; D716-G720 PolarHBondContact O-N 3.3Å; D716-Y721 PolarHBondContact N-O 3.08Å; D716-I723 HydrophobicContact CB-CD1 4.04Å
717	S	49.5	Very low	44.7	Very low	24 Å²	24	43 Å²	43	17%	0.168	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.4	-177.7	81.5	0	0	0	0	112.7	R502 K656 R657 I715	R502-S717 VanDerWaalsContact NH2-C 3.35Å; R502-S717 PolarHBondContact NH2-O 2.93Å; K656-S717 PolarHBondContact O-OG 3.26Å; R657-S717 WeakPolarHBondContact CA-OG 3.32Å; R657-S717 VanDerWaalsContact O-CB 3.29Å; R657-S717 WeakPolarHBondContact O-CB 3.35Å; R657-S717 PolarHBondContact O-N 3.08Å; R657-S717 PolarHBondContact O-OG 2.88Å; R657-S717 VanDerWaalsContact O-OG 3.13Å; I715-S717 PolarHBondContact O-N 2.74Å
718	T	48.5	Very low	43.9	Very low	88 Å²	88	46 Å²	46	54%	0.54	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-36	-176.5	63.5	0	0	0	0	112.9	R657 D716	R657-T718 HydrophobicContact CG-CG2 4.03Å; D716-T718 VanDerWaalsContact CG-OG1 3.23Å; D716-T718 PolarHBondContact O-N 3.08Å; D716-T718 WeakPolarHBondContact OD1-CB 3.5Å; D716-T718 PolarHBondContact OD1-N 3.39Å; D716-T718 PolarHBondContact OD1-OG1 3.29Å; D716-T718 PolarHBondContact OD2-OG1 3.41Å
719	N	43.4	Very low	43.1	Very low	47 Å²	47	52.3 Å²	52.3	25%	0.251	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-10.4	-175	52.8	31.6	0	0	0	113.7	D716 Y721	D716-N719 WeakPolarHBondContact CB-OD1 3.47Å; D716-N719 VanDerWaalsContact CG-OD1 3.23Å; D716-N719 PolarHBondContact O-OD1 2.97Å; D716-N719 PolarHBondContact OD2-ND2 2.9Å; D716-N719 PolarHBondContact OD2-OD1 3.36Å; N719-Y721 VanDerWaalsContact C-N 3.26Å; N719-Y721 HydrophobicContact CB-CD2 3.64Å; N719-Y721 HydrophobicContact CB-CE2 3.76Å; N719-Y721 HydrophobicContact CB-CG 4.46Å; N719-Y721 VanDerWaalsContact ND2-CD2 3.35Å; N719-Y721 WeakPolarHBondContact ND2-CD2 3.06Å; N719-Y721 PolarHBondContact O-N 3.19Å; N719-Y721 WeakPolarHBondContact OD1-CB 3.45Å; N719-Y721 WeakPolarHBondContact OD1-CD2 3.17Å; N719-Y721 PolarHBondContact OD1-N 2.58Å
720	G	37.4	Very low	42.3	Very low	1 Å²	1	56.2 Å²	56.2	1%	0.01	29%	0.293	C	S	.	.			trans	74.8	10.7	-178.5	0	0	0	0	0	114.4	D716	D716-G720 VanDerWaalsContact O-CA 3.25Å; D716-G720 WeakPolarHBondContact O-CA 3.36Å; D716-G720 PolarHBondContact O-N 3.3Å
721	Y	41.5	Very low	41.1	Very low	132 Å²	132	60.8 Å²	60.8	52%	0.518	33%	0.326	S	S	.	.			trans	-71.8	136.6	177.9	-69.5	-53.5	0	0	0	111.1	I715 D716 N719 I723	I715-Y721 WeakPolarHBondContact CA-O 3.48Å; D716-Y721 PolarHBondContact N-O 3.08Å; N719-Y721 VanDerWaalsContact C-N 3.26Å; N719-Y721 HydrophobicContact CB-CD2 3.64Å; N719-Y721 HydrophobicContact CB-CE2 3.76Å; N719-Y721 HydrophobicContact CB-CG 4.46Å; N719-Y721 VanDerWaalsContact ND2-CD2 3.35Å; N719-Y721 WeakPolarHBondContact ND2-CD2 3.06Å; N719-Y721 PolarHBondContact O-N 3.19Å; N719-Y721 WeakPolarHBondContact OD1-CB 3.45Å; N719-Y721 WeakPolarHBondContact OD1-CD2 3.17Å; N719-Y721 PolarHBondContact OD1-N 2.58Å; Y721-I723 PolarHBondContact O-N 2.68Å
722	F	39.6	Very low	40	Very low	76 Å²	76	65.1 Å²	65.1	33%	0.333	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-67.7	128.5	161.5	-75.4	-83.3	0	0	0	108.6	L498 Y500 V510 I715	L498-F722 HydrophobicContact CD2-CZ 4.01Å; Y500-F722 HydrophobicContact CD1-CZ 4.15Å; Y500-F722 HydrophobicContact CE1-CE2 4.29Å; Y500-F722 HydrophobicContact CE1-CZ 4.11Å; V510-F722 HydrophobicContact CG2-CE2 4.25Å; I715-F722 HydrophobicContact CD1-CE1 4.32Å; I715-F722 HydrophobicContact CG1-CD1 4.22Å; I715-F722 HydrophobicContact CG1-CE1 4.18Å
723	I	44.2	Very low	38.8	Very low	21 Å²	21	72.6 Å²	72.6	11%	0.108	39%	0.393	C	S	.	.			trans	-92.9	110.4	172.4	-62.9	166.3	0	0	0	107.8	I611 F658 V714 D716 Y721	I611-I723 HydrophobicContact CB-CG2 3.66Å; I611-I723 HydrophobicContact CD1-CD1 3.48Å; I611-I723 VanDerWaalsContact CD1-CD1 3.48Å; I611-I723 HydrophobicContact CD1-CG1 4.32Å; I611-I723 HydrophobicContact CD1-CG2 4.13Å; I611-I723 HydrophobicContact CG1-CD1 4.26Å; I611-I723 HydrophobicContact CG1-CG2 3.69Å; F658-I723 HydrophobicContact CD1-CD1 3.42Å; F658-I723 VanDerWaalsContact CD1-CD1 3.42Å; F658-I723 HydrophobicContact CE1-CD1 3.13Å; F658-I723 HydrophobicContact CZ-CD1 4.09Å; V714-I723 HydrophobicContact CG1-CB 4.48Å; V714-I723 HydrophobicContact CG1-CD1 4.14Å; V714-I723 PolarHBondContact O-N 3.07Å; D716-I723 HydrophobicContact CB-CD1 4.04Å; Y721-I723 PolarHBondContact O-N 2.68Å
724	V	40.9	Very low	37.1	Very low	77 Å²	77	81.2 Å²	81.2	47%	0.467	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-90.2	131.6	174.2	-169.9	0	0	0	0	108
725	N	33	Very low	35.7	Very low	33 Å²	33	87 Å²	87	18%	0.176	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-70.1	142.7	-176.2	-150.8	-13.8	0	0	0	110.8	I611 N612 T737	I611-N725 PolarHBondContact O-OD1 3.04Å; N612-N725 VanDerWaalsContact CA-OD1 3.26Å; N612-N725 WeakPolarHBondContact CA-OD1 3.17Å; N612-N725 PolarHBondContact OD1-ND2 2.78Å; N725-T737 PolarHBondContact ND2-OG1 3.09Å; N725-T737 VanDerWaalsContact ND2-OG1 3.07Å
726	Y	31	Very low	34.3	Very low	121 Å²	121	89.3 Å²	89.3	48%	0.475	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-51.7	126	-176.8	-154.7	-52.4	0	0	0	111.7	F610 I728	F610-Y726 HydrophobicContact CB-CD2 3.63Å; F610-Y726 HydrophobicContact CB-CG 3.96Å; F610-Y726 HydrophobicContact CD2-CD2 4.46Å; F610-Y726 HydrophobicContact CG-CD2 4.15Å; F610-Y726 HydrophobicContact CG-CG 4.24Å; Y726-I728 HydrophobicContact CD1-CB 3.9Å; Y726-I728 HydrophobicContact CD1-CG1 3.26Å; Y726-I728 VanDerWaalsContact CD1-N 3.28Å; Y726-I728 HydrophobicContact CD2-CG1 4.31Å; Y726-I728 VanDerWaalsContact CE1-CA 3.47Å; Y726-I728 HydrophobicContact CE1-CB 3.98Å; Y726-I728 HydrophobicContact CE1-CG1 3.59Å; Y726-I728 HydrophobicContact CE1-CG2 4.32Å; Y726-I728 HydrophobicContact CG-CG1 3.64Å; Y726-I728 PolarHBondContact O-N 3.23Å
727	P	28.5	Very low	33.2	Very low	100 Å²	100	90.6 Å²	90.6	65%	0.649	49%	0.488	S	S	*	.			trans	-82.4	88.8	156.6	30	-25.9	0	0	0	107.7	L729	P727-L729 PolarHBondContact O-N 2.84Å; P727-L729 VanDerWaalsContact O-N 3.08Å
728	I	24.5	Very low	32.2	Very low	102 Å²	102	95.8 Å²	95.8	52%	0.523	50%	0.504	S	S	.	.			trans	-63.4	120.1	179.9	-59.6	172.8	0	0	0	106.5	Y726 T730	Y726-I728 HydrophobicContact CD1-CB 3.9Å; Y726-I728 HydrophobicContact CD1-CG1 3.26Å; Y726-I728 VanDerWaalsContact CD1-N 3.28Å; Y726-I728 HydrophobicContact CD2-CG1 4.31Å; Y726-I728 VanDerWaalsContact CE1-CA 3.47Å; Y726-I728 HydrophobicContact CE1-CB 3.98Å; Y726-I728 HydrophobicContact CE1-CG1 3.59Å; Y726-I728 HydrophobicContact CE1-CG2 4.32Å; Y726-I728 HydrophobicContact CG-CG1 3.64Å; Y726-I728 PolarHBondContact O-N 3.23Å; I728-T730 HydrophobicContact CG2-CG2 3.98Å; I728-T730 WeakPolarHBondContact CG2-OG1 3.38Å; I728-T730 PolarHBondContact O-N 3.47Å
729	L	26.3	Very low	31.4	Very low	169 Å²	169	92 Å²	92	89%	0.885	48%	0.48	S	S	*	.	S	Bend	trans	-61.5	65.8	166.5	-103	145	0	0	0	109.6	P727	P727-L729 PolarHBondContact O-N 2.84Å; P727-L729 VanDerWaalsContact O-N 3.08Å
730	T	22.9	Very low	30.7	Very low	95 Å²	95	91 Å²	91	58%	0.583	47%	0.474	S	S	*	.	S	Bend	trans	-154.6	113.2	171.1	54.4	0	0	0	0	110.9	I728 S732	I728-T730 HydrophobicContact CG2-CG2 3.98Å; I728-T730 WeakPolarHBondContact CG2-OG1 3.38Å; I728-T730 PolarHBondContact O-N 3.47Å; T730-S732 PolarHBondContact O-N 3.3Å
731	S	24.8	Very low	30.3	Very low	105 Å²	105	91.2 Å²	91.2	73%	0.734	48%	0.475	S	S	*	.			trans	23.3	91.2	154.5	62.5	0	0	0	0	117.8	K733	S731-K733 VanDerWaalsContact C-N 3.31Å; S731-K733 PolarHBondContact O-N 2.98Å
732	S	28.7	Very low	29.8	Very low	125 Å²	125	89.7 Å²	89.7	87%	0.874	47%	0.473	S	S	*	.	S	Bend	trans	41.1	8.3	143.3	66.9	0	0	0	0	123.6	T730	T730-S732 PolarHBondContact O-N 3.3Å
733	K	27.4	Very low	29.3	Very low	191 Å²	191	89.7 Å²	89.7	83%	0.83	48%	0.475	S	S	*	.			trans	-135.9	7.9	-176.1	-93.1	-170.9	179.8	-179.4	0	119.6	S731	S731-K733 VanDerWaalsContact C-N 3.31Å; S731-K733 PolarHBondContact O-N 2.98Å
734	M	22.1	Very low	28.5	Very low	193 Å²	193	91.3 Å²	91.3	95%	0.951	50%	0.497	S	S	*	.			trans	-130.2	95.2	168.9	-74.9	-166.1	167.9	0	0	111.1
735	I	25.4	Very low	28	Very low	123 Å²	123	90.9 Å²	90.9	63%	0.631	50%	0.498	S	S	*	.			trans	-70.3	125.6	174.5	-70	169.2	0	0	0	107.8
736	S	26.6	Very low	28.1	Very low	50 Å²	50	98.5 Å²	98.5	35%	0.35	53%	0.525	S	S	.	.			trans	-54.8	141.1	169.9	52.4	0	0	0	0	110.2	R738	S736-R738 PolarHBondContact O-N 2.83Å
737	T	30.4	Very low	28.2	Very low	30 Å²	30	100 Å²	100	18%	0.184	54%	0.537	C	S	.	.			trans	-60.5	93.5	-166.6	33.4	0	0	0	0	114.5	I613 Q614 N725	I613-T737 WeakPolarHBondContact O-CB 3.32Å; I613-T737 PolarHBondContact O-OG1 2.87Å; Q614-T737 VanDerWaalsContact CA-CG2 3.41Å; Q614-T737 HydrophobicContact CB-CG2 3.48Å; Q614-T737 VanDerWaalsContact CB-CG2 3.48Å; Q614-T737 HydrophobicContact CG-CG2 3.6Å; N725-T737 PolarHBondContact ND2-OG1 3.09Å; N725-T737 VanDerWaalsContact ND2-OG1 3.07Å
738	R	29.2	Very low	28.7	Very low	133 Å²	133	99.9 Å²	99.9	50%	0.502	53%	0.534	S	S	.	.			trans	-100.7	127.5	160.6	-61.3	175.6	179.7	-163.3	-2.7	106.1	S736	S736-R738 PolarHBondContact O-N 2.83Å
739	I	32	Very low	29.5	Very low	7 Å²	7	101 Å²	101	4%	0.036	54%	0.537	C	S	.	.	B	Isolated β-bridge	trans	-87.1	126	163.7	-36.6	163.1	0	0	0	108.2	F615 I626 L741	F615-I739 HydrophobicContact CB-CD1 4.2Å; F615-I739 HydrophobicContact CB-CG1 4.02Å; F615-I739 HydrophobicContact CD1-CD1 3.28Å; F615-I739 HydrophobicContact CD1-CG1 3.94Å; F615-I739 HydrophobicContact CD2-CB 4.34Å; F615-I739 HydrophobicContact CD2-CD1 3.21Å; F615-I739 HydrophobicContact CD2-CG1 2.87Å; F615-I739 HydrophobicContact CE1-CD1 3.15Å; F615-I739 HydrophobicContact CE1-CG1 4.06Å; F615-I739 HydrophobicContact CE2-CB 4.43Å; F615-I739 HydrophobicContact CE2-CD1 3.07Å; F615-I739 HydrophobicContact CE2-CG1 3.03Å; F615-I739 HydrophobicContact CG-CD1 3.26Å; F615-I739 HydrophobicContact CG-CG1 3.32Å; F615-I739 HydrophobicContact CZ-CD1 3.01Å; F615-I739 HydrophobicContact CZ-CG1 3.61Å; I626-I739 HydrophobicContact CB-CG2 4.14Å; I626-I739 HydrophobicContact CD1-CD1 3.7Å; I626-I739 HydrophobicContact CD1-CG1 4.39Å; I626-I739 HydrophobicContact CD1-CG2 4.03Å; I626-I739 HydrophobicContact CG1-CG2 3.86Å; I739-L741 HydrophobicContact CB-CG 4.46Å; I739-L741 HydrophobicContact CD1-CD1 4.05Å; I739-L741 HydrophobicContact CD1-CG 4.44Å; I739-L741 HydrophobicContact CG2-CG 4.01Å
740	I	28.2	Very low	30.3	Very low	27 Å²	27	98.1 Å²	98.1	14%	0.138	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	107.2	155.5	-64.9	154.6	0	0	0	106.2	R28 Q742	R28-I740 HydrophobicContact CG-CD1 3.75Å; I740-Q742 PolarHBondContact O-N 2.92Å
741	L	30	Very low	31.4	Very low	6 Å²	6	98.3 Å²	98.3	3%	0.031	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	98.3	172.6	-93.5	159.3	0	0	0	107.3	I626 L628 L635 L662 L710 I739 I743	I626-L741 HydrophobicContact CB-CD2 3.58Å; I626-L741 HydrophobicContact CB-CG 4.3Å; I626-L741 HydrophobicContact CG2-CD2 3.75Å; I626-L741 WeakPolarHBondContact O-CD2 3.22Å; L628-L741 HydrophobicContact CB-CD2 4.46Å; L628-L741 HydrophobicContact CD1-CD1 4.23Å; L628-L741 HydrophobicContact CD1-CD2 3.44Å; L628-L741 VanDerWaalsContact CD1-CD2 3.44Å; L628-L741 HydrophobicContact CD1-CG 4.35Å; L628-L741 HydrophobicContact CD2-CD2 4.28Å; L628-L741 HydrophobicContact CG-CD2 3.4Å; L628-L741 VanDerWaalsContact CG-CD2 3.4Å; L635-L741 HydrophobicContact CD1-CD1 3.73Å; L635-L741 HydrophobicContact CD2-CD2 4.39Å; L662-L741 HydrophobicContact CD2-CD1 4.14Å; L710-L741 HydrophobicContact CB-CD1 4.24Å; L710-L741 HydrophobicContact CD1-CB 3.86Å; L710-L741 HydrophobicContact CD1-CD1 3.27Å; L710-L741 HydrophobicContact CD1-CG 4.14Å; L710-L741 HydrophobicContact CG-CD1 4.28Å; I739-L741 HydrophobicContact CB-CG 4.46Å; I739-L741 HydrophobicContact CD1-CD1 4.05Å; I739-L741 HydrophobicContact CD1-CG 4.44Å; I739-L741 HydrophobicContact CG2-CG 4.01Å; L741-I743 PolarHBondContact O-N 3.03Å
742	Q	29.5	Very low	32.4	Very low	100 Å²	100	96.9 Å²	96.9	47%	0.467	51%	0.505	S	S	.	.			trans	-82.8	109.1	-175.9	-162.8	177.5	3.1	0	0	109.2	I626 I740	I626-Q742 PolarHBondContact O-N 2.92Å; I740-Q742 PolarHBondContact O-N 2.92Å
743	I	30.5	Very low	33.5	Very low	76 Å²	76	93 Å²	93	39%	0.39	48%	0.478	S	S	.	.			trans	-101.6	97.6	173.9	-55.3	158.6	0	0	0	106.9	L701 L741	L701-I743 HydrophobicContact CB-CD1 3.76Å; L701-I743 HydrophobicContact CD1-CD1 3.58Å; L701-I743 HydrophobicContact CD1-CG1 4.43Å; L701-I743 HydrophobicContact CD2-CD1 3.83Å; L701-I743 HydrophobicContact CG-CD1 3.87Å; L741-I743 PolarHBondContact O-N 3.03Å
744	G	26.5	Very low	34.7	Very low	55 Å²	55	89.3 Å²	89.3	57%	0.567	47%	0.467	S	S	*	.			trans	-79.3	119	173.5	0	0	0	0	0	110.2
745	S	30.7	Very low	36.4	Very low	68 Å²	68	85.8 Å²	85.8	48%	0.476	45%	0.451	S	S	.	.			trans	-83.4	126.9	158.9	89.2	0	0	0	0	108	Q747	S745-Q747 PolarHBondContact O-N 3.36Å
746	Y	35.3	Very low	37.7	Very low	193 Å²	193	87.5 Å²	87.5	76%	0.757	45%	0.45	S	S	*	.	H	α-helix	trans	-63.4	-8.1	-174.6	-103.4	-93	0	0	0	114.4	L750	Y746-L750 PolarHBondContact O-N 2.95Å
747	Q	33.7	Very low	39.7	Very low	153 Å²	153	87.3 Å²	87.3	72%	0.715	45%	0.445	S	S	*	.	H	α-helix	trans	-76.7	-42.8	-168.1	-75.9	-173.5	-20.3	0	0	114.3	S745 Q749 L750 I751	S745-Q747 PolarHBondContact O-N 3.36Å; Q747-Q749 VanDerWaalsContact C-N 3.34Å; Q747-Q749 PolarHBondContact O-N 2.86Å; Q747-L750 WeakPolarHBondContact O-CB 3.33Å; Q747-L750 PolarHBondContact O-N 3.02Å; Q747-I751 PolarHBondContact O-N 3.29Å
748	T	38.1	Very low	41.4	Very low	96 Å²	96	89.4 Å²	89.4	59%	0.589	46%	0.459	S	S	*	.	H	α-helix	trans	-69.1	-34.1	179.9	6.1	0	0	0	0	112	L750 I751 V752	T748-L750 VanDerWaalsContact C-N 3.34Å; T748-I751 PolarHBondContact O-N 2.9Å; T748-V752 PolarHBondContact O-N 2.87Å
749	Q	41.2	Very low	43.3	Very low	125 Å²	125	85.2 Å²	85.2	58%	0.584	46%	0.457	S	S	*	.	H	α-helix	trans	-67	-35.7	175.6	-67.4	-179.4	-3.5	0	0	112	Q747 S753	Q747-Q749 VanDerWaalsContact C-N 3.34Å; Q747-Q749 PolarHBondContact O-N 2.86Å; Q749-S753 VanDerWaalsContact O-CB 3.28Å; Q749-S753 WeakPolarHBondContact O-CB 3.23Å; Q749-S753 PolarHBondContact O-N 2.92Å
750	L	43.5	Very low	45.3	Very low	109 Å²	109	88 Å²	88	57%	0.571	47%	0.474	S	S	*	.	H	α-helix	trans	-62.8	-43.6	177.5	-161.6	97.1	0	0	0	111.5	Y746 Q747 T748 S753 L754	Y746-L750 PolarHBondContact O-N 2.95Å; Q747-L750 WeakPolarHBondContact O-CB 3.33Å; Q747-L750 PolarHBondContact O-N 3.02Å; T748-L750 VanDerWaalsContact C-N 3.34Å; L750-S753 PolarHBondContact O-N 2.9Å; L750-L754 HydrophobicContact CD2-CD1 3.89Å; L750-L754 HydrophobicContact CG-CD1 4.03Å; L750-L754 WeakPolarHBondContact O-CB 3.43Å; L750-L754 WeakPolarHBondContact O-CD1 3.24Å; L750-L754 VanDerWaalsContact O-CG 3.29Å; L750-L754 WeakPolarHBondContact O-CG 3.06Å; L750-L754 PolarHBondContact O-N 2.88Å
751	I	44.9	Very low	47.5	Very low	100 Å²	100	92.4 Å²	92.4	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-67	-45.3	-177.6	-63.2	171.1	0	0	0	111	Q747 T748 S753 L754 I755	Q747-I751 PolarHBondContact O-N 3.29Å; T748-I751 PolarHBondContact O-N 2.9Å; I751-S753 VanDerWaalsContact C-N 3.34Å; I751-S753 PolarHBondContact O-N 3.3Å; I751-L754 PolarHBondContact O-N 2.92Å; I751-I755 HydrophobicContact CG2-CD1 4.09Å; I751-I755 WeakPolarHBondContact O-CG1 3.18Å; I751-I755 PolarHBondContact O-N 2.75Å
752	V	45.8	Very low	49.7	Very low	75 Å²	75	97.7 Å²	97.7	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-64.2	-41.4	177.2	176.2	0	0	0	0	110.8	T748 L754 I755 Y756	T748-V752 PolarHBondContact O-N 2.87Å; V752-L754 VanDerWaalsContact C-N 3.34Å; V752-L754 PolarHBondContact O-N 2.76Å; V752-I755 PolarHBondContact O-N 2.99Å; V752-Y756 HydrophobicContact CG1-CD2 3.88Å; V752-Y756 HydrophobicContact CG1-CE2 4.32Å; V752-Y756 WeakPolarHBondContact O-CB 3.27Å; V752-Y756 PolarHBondContact O-N 2.87Å
753	S	52.7	Low	51.9	Low	44 Å²	44	99.7 Å²	99.7	31%	0.308	53%	0.525	S	S	.	.	H	α-helix	trans	-62.9	-40.6	176.4	-153.5	0	0	0	0	111.7	Q749 L750 I751 I755 L757	Q749-S753 VanDerWaalsContact O-CB 3.28Å; Q749-S753 WeakPolarHBondContact O-CB 3.23Å; Q749-S753 PolarHBondContact O-N 2.92Å; L750-S753 PolarHBondContact O-N 2.9Å; I751-S753 VanDerWaalsContact C-N 3.34Å; I751-S753 PolarHBondContact O-N 3.3Å; S753-I755 PolarHBondContact O-N 3.49Å; S753-L757 WeakPolarHBondContact O-CB 3.11Å; S753-L757 PolarHBondContact O-N 3.32Å
754	L	52.3	Low	54.2	Low	113 Å²	113	99.7 Å²	99.7	59%	0.592	53%	0.525	S	S	*	.	H	α-helix	trans	-65.4	-32.3	178.9	-82.5	161.5	0	0	0	113.8	L750 I751 V752 P758	L750-L754 HydrophobicContact CD2-CD1 3.89Å; L750-L754 HydrophobicContact CG-CD1 4.03Å; L750-L754 WeakPolarHBondContact O-CB 3.43Å; L750-L754 WeakPolarHBondContact O-CD1 3.24Å; L750-L754 VanDerWaalsContact O-CG 3.29Å; L750-L754 WeakPolarHBondContact O-CG 3.06Å; L750-L754 PolarHBondContact O-N 2.88Å; I751-L754 PolarHBondContact O-N 2.92Å; V752-L754 VanDerWaalsContact C-N 3.34Å; V752-L754 PolarHBondContact O-N 2.76Å; L754-P758 WeakPolarHBondContact O-CD 3.37Å; L754-P758 WeakPolarHBondContact O-CG 3.34Å
755	I	58.2	Low	56.7	Low	119 Å²	119	98.5 Å²	98.5	61%	0.61	51%	0.513	S	S	*	.	H	α-helix	trans	-87.5	-41.3	-178.6	-62.7	170.4	0	0	0	111.5	I751 V752 S753	I751-I755 HydrophobicContact CG2-CD1 4.09Å; I751-I755 WeakPolarHBondContact O-CG1 3.18Å; I751-I755 PolarHBondContact O-N 2.75Å; V752-I755 PolarHBondContact O-N 2.99Å; S753-I755 PolarHBondContact O-N 3.49Å
756	Y	52.8	Low	59.1	Low	158 Å²	158	100 Å²	100	62%	0.62	52%	0.515	S	S	*	.	H	α-helix	trans	-81.2	-36.1	-173.2	-87.2	-92.5	0	0	0	114.1	V752 G759 V760	V752-Y756 HydrophobicContact CG1-CD2 3.88Å; V752-Y756 HydrophobicContact CG1-CE2 4.32Å; V752-Y756 WeakPolarHBondContact O-CB 3.27Å; V752-Y756 PolarHBondContact O-N 2.87Å; Y756-G759 PolarHBondContact O-N 3Å; Y756-V760 WeakPolarHBondContact O-CG2 3.48Å; Y756-V760 PolarHBondContact O-N 2.81Å; Y756-V760 VanDerWaalsContact O-N 3.16Å
757	L	68.1	Low	61.2	Low	46 Å²	46	95.4 Å²	95.4	24%	0.241	50%	0.503	C	S	.	.	H	α-helix	trans	-57	-50.5	179.1	-111.3	77.6	0	0	0	112.1	Y19 S753 G759 V760 Y761	Y19-L757 HydrophobicContact CD2-CD1 4.28Å; Y19-L757 HydrophobicContact CE2-CD1 4.25Å; Y19-L757 HydrophobicContact CE2-CD2 4.39Å; Y19-L757 HydrophobicContact CE2-CG 4.26Å; S753-L757 WeakPolarHBondContact O-CB 3.11Å; S753-L757 PolarHBondContact O-N 3.32Å; L757-G759 VanDerWaalsContact C-N 3.3Å; L757-G759 PolarHBondContact O-N 3.45Å; L757-V760 PolarHBondContact O-N 2.86Å; L757-Y761 HydrophobicContact CB-CD2 4.27Å; L757-Y761 HydrophobicContact CB-CE2 4.12Å; L757-Y761 HydrophobicContact CD2-CE2 3.72Å; L757-Y761 HydrophobicContact CG-CD2 4.43Å; L757-Y761 HydrophobicContact CG-CE2 3.82Å; L757-Y761 WeakPolarHBondContact O-CD2 3.29Å; L757-Y761 PolarHBondContact O-N 2.71Å
758	P	67.1	Low	63.4	Low	74 Å²	74	92.7 Å²	92.7	48%	0.481	49%	0.492	S	S	.	.	H	α-helix	trans	-59.1	-39.1	-179.1	-24.5	33.6	0	0	0	113.3	L754 Y761 L762	L754-P758 WeakPolarHBondContact O-CD 3.37Å; L754-P758 WeakPolarHBondContact O-CG 3.34Å; P758-Y761 PolarHBondContact O-N 3.05Å; P758-L762 WeakPolarHBondContact O-CB 3.25Å; P758-L762 PolarHBondContact O-N 3.41Å
759	G	69.4	Low	65.4	Low	45 Å²	45	93.7 Å²	93.7	46%	0.464	49%	0.493	S	S	.	.	H	α-helix	trans	-63.5	-43.2	177.8	0	0	0	0	0	112.7	Y756 L757 L762 F763	Y756-G759 PolarHBondContact O-N 3Å; L757-G759 VanDerWaalsContact C-N 3.3Å; L757-G759 PolarHBondContact O-N 3.45Å; G759-L762 PolarHBondContact O-N 3.48Å; G759-F763 PolarHBondContact O-N 3.45Å; G759-F763 VanDerWaalsContact O-N 3.12Å
760	V	73.5	Confident	67.1	Low	65 Å²	65	93.6 Å²	93.6	39%	0.394	49%	0.492	S	S	.	.	H	α-helix	trans	-66.7	-42.2	176.4	175.1	0	0	0	0	111.3	Y756 L757 L762 F763 I764	Y756-V760 WeakPolarHBondContact O-CG2 3.48Å; Y756-V760 PolarHBondContact O-N 2.81Å; Y756-V760 VanDerWaalsContact O-N 3.16Å; L757-V760 PolarHBondContact O-N 2.86Å; V760-L762 VanDerWaalsContact C-N 3.32Å; V760-L762 PolarHBondContact O-N 3.1Å; V760-F763 PolarHBondContact O-N 3.11Å; V760-I764 HydrophobicContact CG1-CD1 3.8Å; V760-I764 HydrophobicContact CG1-CG1 4.41Å; V760-I764 WeakPolarHBondContact O-CG1 3.35Å; V760-I764 PolarHBondContact O-N 3.23Å
761	Y	73.5	Confident	68.6	Low	120 Å²	120	91.3 Å²	91.3	47%	0.471	49%	0.485	S	S	.	.	H	α-helix	trans	-62.3	-38.3	176	-79	-64.5	0	0	0	112.6	Y19 L757 P758 G765	Y19-Y761 PolarHBondContact OH-OH 3.46Å; L757-Y761 HydrophobicContact CB-CD2 4.27Å; L757-Y761 HydrophobicContact CB-CE2 4.12Å; L757-Y761 HydrophobicContact CD2-CE2 3.72Å; L757-Y761 HydrophobicContact CG-CD2 4.43Å; L757-Y761 HydrophobicContact CG-CE2 3.82Å; L757-Y761 WeakPolarHBondContact O-CD2 3.29Å; L757-Y761 PolarHBondContact O-N 2.71Å; P758-Y761 PolarHBondContact O-N 3.05Å; Y761-G765 PolarHBondContact O-N 3.1Å
762	L	77.4	Confident	70.1	Confident	117 Å²	117	90.2 Å²	90.2	61%	0.613	48%	0.483	S	S	*	.	H	α-helix	trans	-64	-42.2	176	-168.4	144.7	0	0	0	111.1	P758 G759 V760 G765 L766	P758-L762 WeakPolarHBondContact O-CB 3.25Å; P758-L762 PolarHBondContact O-N 3.41Å; G759-L762 PolarHBondContact O-N 3.48Å; V760-L762 VanDerWaalsContact C-N 3.32Å; V760-L762 PolarHBondContact O-N 3.1Å; L762-G765 PolarHBondContact O-N 2.71Å; L762-L766 HydrophobicContact CD2-CD1 3.65Å; L762-L766 HydrophobicContact CD2-CG 4.34Å; L762-L766 VanDerWaalsContact O-CG 3.32Å; L762-L766 WeakPolarHBondContact O-CG 3.35Å; L762-L766 PolarHBondContact O-N 2.7Å
763	F	75	Confident	71.3	Confident	142 Å²	142	89.8 Å²	89.8	62%	0.623	48%	0.483	S	S	*	.	H	α-helix	trans	-66.3	-44.4	178.4	-141.3	-87.1	0	0	0	112.6	G759 V760 G765 L766 I767	G759-F763 PolarHBondContact O-N 3.45Å; G759-F763 VanDerWaalsContact O-N 3.12Å; V760-F763 PolarHBondContact O-N 3.11Å; F763-G765 VanDerWaalsContact C-N 3.35Å; F763-L766 PolarHBondContact O-N 2.79Å; F763-I767 HydrophobicContact CD1-CD1 3.9Å; F763-I767 HydrophobicContact CD1-CG1 4.46Å; F763-I767 HydrophobicContact CE1-CD1 4.26Å; F763-I767 WeakPolarHBondContact O-CG1 3.16Å; F763-I767 PolarHBondContact O-N 3.03Å; F763-I767 VanDerWaalsContact O-N 3.09Å
764	I	79.2	Confident	72.1	Confident	77 Å²	77	92.7 Å²	92.7	40%	0.395	49%	0.493	S	S	.	.	H	α-helix	trans	-63.2	-43.2	175.6	-66.3	169.7	0	0	0	110.4	V760 L766 I767 I768	V760-I764 HydrophobicContact CG1-CD1 3.8Å; V760-I764 HydrophobicContact CG1-CG1 4.41Å; V760-I764 WeakPolarHBondContact O-CG1 3.35Å; V760-I764 PolarHBondContact O-N 3.23Å; I764-L766 VanDerWaalsContact C-N 3.33Å; I764-L766 PolarHBondContact O-N 3.35Å; I764-I767 PolarHBondContact O-N 2.67Å; I764-I768 HydrophobicContact CG2-CD1 3.85Å; I764-I768 HydrophobicContact CG2-CG1 4.45Å; I764-I768 WeakPolarHBondContact O-CG1 3.3Å; I764-I768 PolarHBondContact O-N 2.83Å
765	G	78.8	Confident	72.7	Confident	29 Å²	29	92.7 Å²	92.7	30%	0.299	49%	0.493	S	S	.	.	H	α-helix	trans	-57.2	-44.1	175.6	0	0	0	0	0	112.5	Y761 L762 F763 I768 I769	Y761-G765 PolarHBondContact O-N 3.1Å; L762-G765 PolarHBondContact O-N 2.71Å; F763-G765 VanDerWaalsContact C-N 3.35Å; G765-I768 PolarHBondContact O-N 3.32Å; G765-I769 VanDerWaalsContact O-CG1 3.28Å; G765-I769 WeakPolarHBondContact O-CG1 2.99Å; G765-I769 PolarHBondContact O-N 2.97Å
766	L	81.3	Confident	73	Confident	99 Å²	99	91.4 Å²	91.4	52%	0.518	49%	0.486	S	S	.	.	H	α-helix	trans	-63.3	-41.9	176.5	-73.2	171.3	0	0	0	112.7	L762 F763 I764 I769 H770	L762-L766 HydrophobicContact CD2-CD1 3.65Å; L762-L766 HydrophobicContact CD2-CG 4.34Å; L762-L766 VanDerWaalsContact O-CG 3.32Å; L762-L766 WeakPolarHBondContact O-CG 3.35Å; L762-L766 PolarHBondContact O-N 2.7Å; F763-L766 PolarHBondContact O-N 2.79Å; I764-L766 VanDerWaalsContact C-N 3.33Å; I764-L766 PolarHBondContact O-N 3.35Å; L766-I769 PolarHBondContact O-N 3.13Å; L766-H770 WeakPolarHBondContact O-CB 2.91Å; L766-H770 PolarHBondContact O-N 2.78Å
767	I	79.5	Confident	73.4	Confident	98 Å²	98	87.2 Å²	87.2	50%	0.503	48%	0.477	S	S	.	.	H	α-helix	trans	-63.5	-42.7	177.6	-68.6	168.2	0	0	0	110.9	F763 I764 H770 S771	F763-I767 HydrophobicContact CD1-CD1 3.9Å; F763-I767 HydrophobicContact CD1-CG1 4.46Å; F763-I767 HydrophobicContact CE1-CD1 4.26Å; F763-I767 WeakPolarHBondContact O-CG1 3.16Å; F763-I767 PolarHBondContact O-N 3.03Å; F763-I767 VanDerWaalsContact O-N 3.09Å; I764-I767 PolarHBondContact O-N 2.67Å; I767-H770 PolarHBondContact O-N 2.72Å; I767-S771 WeakPolarHBondContact O-CB 3.31Å; I767-S771 PolarHBondContact O-N 3.27Å; I767-S771 PolarHBondContact O-OG 3.31Å
768	I	79.8	Confident	72.9	Confident	95 Å²	95	91.6 Å²	91.6	49%	0.487	50%	0.495	S	S	.	.	H	α-helix	trans	-65	-45.9	178.4	-66.7	170.7	0	0	0	110.4	I764 G765 H770 S771 V772	I764-I768 HydrophobicContact CG2-CD1 3.85Å; I764-I768 HydrophobicContact CG2-CG1 4.45Å; I764-I768 WeakPolarHBondContact O-CG1 3.3Å; I764-I768 PolarHBondContact O-N 2.83Å; G765-I768 PolarHBondContact O-N 3.32Å; I768-H770 VanDerWaalsContact C-N 3.29Å; I768-H770 PolarHBondContact O-N 2.81Å; I768-S771 WeakPolarHBondContact CA-OG 2.92Å; I768-S771 PolarHBondContact O-N 2.84Å; I768-S771 PolarHBondContact O-OG 3.21Å; I768-S771 VanDerWaalsContact O-OG 3.07Å; I768-V772 HydrophobicContact CG2-CG2 4.32Å; I768-V772 WeakPolarHBondContact O-CB 3.21Å; I768-V772 VanDerWaalsContact O-CG2 3.31Å; I768-V772 WeakPolarHBondContact O-CG2 3.48Å; I768-V772 PolarHBondContact O-N 3.36Å
769	I	79.3	Confident	72.3	Confident	118 Å²	118	93.9 Å²	93.9	61%	0.605	50%	0.499	S	S	*	.	H	α-helix	trans	-59.4	-43.3	176.6	-69.5	166.9	0	0	0	110.5	G765 L766 S773	G765-I769 VanDerWaalsContact O-CG1 3.28Å; G765-I769 WeakPolarHBondContact O-CG1 2.99Å; G765-I769 PolarHBondContact O-N 2.97Å; L766-I769 PolarHBondContact O-N 3.13Å; I769-S773 VanDerWaalsContact O-CB 3.31Å; I769-S773 WeakPolarHBondContact O-CB 3.09Å; I769-S773 PolarHBondContact O-N 3.21Å
770	H	77.5	Confident	71.5	Confident	123 Å²	123	98.8 Å²	98.8	57%	0.569	51%	0.507	S	S	*	.	H	α-helix	trans	-64.5	-43.8	179.4	-170.6	8.3	0	0	0	112.3	L766 I767 I768 S773 M774	L766-H770 WeakPolarHBondContact O-CB 2.91Å; L766-H770 PolarHBondContact O-N 2.78Å; I767-H770 PolarHBondContact O-N 2.72Å; I768-H770 VanDerWaalsContact C-N 3.29Å; I768-H770 PolarHBondContact O-N 2.81Å; H770-S773 PolarHBondContact O-N 2.03Å; H770-M774 WeakPolarHBondContact O-CB 3.35Å; H770-M774 PolarHBondContact O-N 3.23Å
771	S	73.9	Confident	70.6	Confident	61 Å²	61	101.5 Å²	101.5	43%	0.427	52%	0.518	S	S	.	.	H	α-helix	trans	-70.1	-36.2	-179.8	43.4	0	0	0	0	112.7	I767 I768 M774 L775	I767-S771 WeakPolarHBondContact O-CB 3.31Å; I767-S771 PolarHBondContact O-N 3.27Å; I767-S771 PolarHBondContact O-OG 3.31Å; I768-S771 WeakPolarHBondContact CA-OG 2.92Å; I768-S771 PolarHBondContact O-N 2.84Å; I768-S771 PolarHBondContact O-OG 3.21Å; I768-S771 VanDerWaalsContact O-OG 3.07Å; S771-M774 WeakPolarHBondContact O-CB 3.38Å; S771-M774 PolarHBondContact O-N 2.89Å; S771-L775 PolarHBondContact O-N 3.46Å
772	V	76.4	Confident	69.6	Low	76 Å²	76	100.8 Å²	100.8	46%	0.461	52%	0.521	S	S	.	.	H	α-helix	trans	-66.6	-42.1	171.5	173.6	0	0	0	0	111.2	I768 M774 L775 I776	I768-V772 HydrophobicContact CG2-CG2 4.32Å; I768-V772 WeakPolarHBondContact O-CB 3.21Å; I768-V772 VanDerWaalsContact O-CG2 3.31Å; I768-V772 WeakPolarHBondContact O-CG2 3.48Å; I768-V772 PolarHBondContact O-N 3.36Å; V772-M774 VanDerWaalsContact C-N 3.33Å; V772-M774 PolarHBondContact O-N 2.82Å; V772-L775 PolarHBondContact O-N 2.62Å; V772-L775 VanDerWaalsContact O-N 3.11Å; V772-I776 HydrophobicContact CG1-CD1 3.84Å; V772-I776 HydrophobicContact CG1-CG1 4.4Å; V772-I776 WeakPolarHBondContact O-CG1 3.28Å; V772-I776 PolarHBondContact O-N 2.98Å
773	S	72.2	Confident	68.4	Low	66 Å²	66	99.6 Å²	99.6	46%	0.462	52%	0.519	S	S	.	.	H	α-helix	trans	-60.3	-42.4	175	-176.2	0	0	0	0	112.1	I769 H770 L775 I776 T777	I769-S773 VanDerWaalsContact O-CB 3.31Å; I769-S773 WeakPolarHBondContact O-CB 3.09Å; I769-S773 PolarHBondContact O-N 3.21Å; H770-S773 PolarHBondContact O-N 2.03Å; S773-L775 VanDerWaalsContact C-N 3.34Å; S773-L775 PolarHBondContact O-N 3.11Å; S773-I776 PolarHBondContact O-N 3.41Å; S773-T777 PolarHBondContact O-N 2.86Å; S773-T777 PolarHBondContact O-OG1 3.22Å
774	M	69	Low	67.1	Low	106 Å²	106	99.3 Å²	99.3	52%	0.522	52%	0.519	S	S	.	.	H	α-helix	trans	-60.6	-38.6	171.5	-91.9	-79.1	-149.6	0	0	112.8	H770 S771 V772 T777 K778	H770-M774 WeakPolarHBondContact O-CB 3.35Å; H770-M774 PolarHBondContact O-N 3.23Å; S771-M774 WeakPolarHBondContact O-CB 3.38Å; S771-M774 PolarHBondContact O-N 2.89Å; V772-M774 VanDerWaalsContact C-N 3.33Å; V772-M774 PolarHBondContact O-N 2.82Å; M774-T777 VanDerWaalsContact C-OG1 3.31Å; M774-T777 VanDerWaalsContact CA-OG1 3.23Å; M774-T777 WeakPolarHBondContact CA-OG1 3.26Å; M774-T777 PolarHBondContact O-OG1 3.4Å; M774-K778 WeakPolarHBondContact O-CG 3.19Å; M774-K778 PolarHBondContact O-N 2.96Å
775	L	65	Low	65.7	Low	113 Å²	113	97.6 Å²	97.6	59%	0.592	52%	0.52	S	S	*	.	H	α-helix	trans	-70.8	-41	179.5	-135.3	101	0	0	0	111.8	S771 V772 S773 T777 K778 Q779	S771-L775 PolarHBondContact O-N 3.46Å; V772-L775 PolarHBondContact O-N 2.62Å; V772-L775 VanDerWaalsContact O-N 3.11Å; S773-L775 VanDerWaalsContact C-N 3.34Å; S773-L775 PolarHBondContact O-N 3.11Å; L775-T777 VanDerWaalsContact C-N 3.34Å; L775-K778 PolarHBondContact O-N 3.48Å; L775-Q779 PolarHBondContact O-N 3.21Å
776	I	65.1	Low	64.1	Low	91 Å²	91	101.2 Å²	101.2	47%	0.467	53%	0.533	S	S	.	.	H	α-helix	trans	-65.7	-39.5	176.9	-66.7	167.1	0	0	0	110.5	V772 S773 Q779 K780	V772-I776 HydrophobicContact CG1-CD1 3.84Å; V772-I776 HydrophobicContact CG1-CG1 4.4Å; V772-I776 WeakPolarHBondContact O-CG1 3.28Å; V772-I776 PolarHBondContact O-N 2.98Å; S773-I776 PolarHBondContact O-N 3.41Å; I776-Q779 PolarHBondContact O-N 2.74Å; I776-K780 PolarHBondContact O-N 3.17Å
777	T	61.2	Low	62.3	Low	71 Å²	71	103.5 Å²	103.5	44%	0.436	54%	0.539	S	S	.	.	H	α-helix	trans	-65.3	-42.1	174	34.4	0	0	0	0	111.5	S773 M774 L775 Q779 K780 I781	S773-T777 PolarHBondContact O-N 2.86Å; S773-T777 PolarHBondContact O-OG1 3.22Å; M774-T777 VanDerWaalsContact C-OG1 3.31Å; M774-T777 VanDerWaalsContact CA-OG1 3.23Å; M774-T777 WeakPolarHBondContact CA-OG1 3.26Å; M774-T777 PolarHBondContact O-OG1 3.4Å; L775-T777 VanDerWaalsContact C-N 3.34Å; T777-Q779 PolarHBondContact O-N 2.93Å; T777-K780 PolarHBondContact O-N 2.92Å; T777-I781 VanDerWaalsContact O-CG1 3.3Å; T777-I781 WeakPolarHBondContact O-CG1 3.47Å; T777-I781 PolarHBondContact O-N 3.04Å
778	K	56.4	Low	60.7	Low	138 Å²	138	105.7 Å²	105.7	60%	0.6	55%	0.549	S	S	*	.	H	α-helix	trans	-61.7	-41.2	172.7	-80	-175.5	177.3	-178.6	0	113.1	M774 L775 I781 I782	M774-K778 WeakPolarHBondContact O-CG 3.19Å; M774-K778 PolarHBondContact O-N 2.96Å; L775-K778 PolarHBondContact O-N 3.48Å; K778-I781 WeakPolarHBondContact O-CB 3.39Å; K778-I781 PolarHBondContact O-N 3.47Å; K778-I782 WeakPolarHBondContact O-CG1 2.92Å; K778-I782 PolarHBondContact O-N 3.13Å
779	Q	54.6	Low	59	Low	121 Å²	121	107.5 Å²	107.5	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-67.2	-38.7	176	-93.8	-176.3	-13.6	0	0	112.6	L775 I776 T777 I781 I782 V783	L775-Q779 PolarHBondContact O-N 3.21Å; I776-Q779 PolarHBondContact O-N 2.74Å; T777-Q779 PolarHBondContact O-N 2.93Å; Q779-I781 VanDerWaalsContact C-N 3.26Å; Q779-I781 PolarHBondContact O-N 3.04Å; Q779-I782 PolarHBondContact O-N 3.31Å; Q779-V783 VanDerWaalsContact O-CG2 3.31Å; Q779-V783 WeakPolarHBondContact O-CG2 2.64Å; Q779-V783 PolarHBondContact O-N 3.28Å
780	K	52.6	Low	57.4	Low	149 Å²	149	110 Å²	110	65%	0.648	56%	0.563	S	S	*	*	H	α-helix	trans	-60.8	-37	172.3	-90.4	-174.5	175.7	179.5	0	112	I776 T777 V783 H784	I776-K780 PolarHBondContact O-N 3.17Å; T777-K780 PolarHBondContact O-N 2.92Å; K780-V783 PolarHBondContact O-N 3.15Å; K780-H784 WeakPolarHBondContact O-CB 3.49Å; K780-H784 PolarHBondContact O-N 3.33Å
781	I	55.1	Low	55.9	Low	121 Å²	121	111.9 Å²	111.9	62%	0.621	57%	0.572	S	S	*	*	H	α-helix	trans	-65.1	-43.1	174.6	-66	163.4	0	0	0	110.8	T777 K778 Q779 H784 G785	T777-I781 VanDerWaalsContact O-CG1 3.3Å; T777-I781 WeakPolarHBondContact O-CG1 3.47Å; T777-I781 PolarHBondContact O-N 3.04Å; K778-I781 WeakPolarHBondContact O-CB 3.39Å; K778-I781 PolarHBondContact O-N 3.47Å; Q779-I781 VanDerWaalsContact C-N 3.26Å; Q779-I781 PolarHBondContact O-N 3.04Å; I781-H784 PolarHBondContact O-N 2.9Å; I781-G785 PolarHBondContact O-N 3.25Å
782	I	52.5	Low	54.6	Low	105 Å²	105	113.7 Å²	113.7	54%	0.538	58%	0.584	S	S	.	*	H	α-helix	trans	-67.5	-38.7	178.6	-64	163.8	0	0	0	111.4	K778 Q779 G785 N786	K778-I782 WeakPolarHBondContact O-CG1 2.92Å; K778-I782 PolarHBondContact O-N 3.13Å; Q779-I782 PolarHBondContact O-N 3.31Å; I782-G785 PolarHBondContact O-N 3.33Å; I782-N786 PolarHBondContact O-N 2.88Å
783	V	52.8	Low	52.9	Low	93 Å²	93	119.1 Å²	119.1	56%	0.564	61%	0.609	S	S	*	*	H	α-helix	trans	-70	-36.3	177	176.4	0	0	0	0	111.3	Q779 K780 K787	Q779-V783 VanDerWaalsContact O-CG2 3.31Å; Q779-V783 WeakPolarHBondContact O-CG2 2.64Å; Q779-V783 PolarHBondContact O-N 3.28Å; K780-V783 PolarHBondContact O-N 3.15Å; V783-K787 PolarHBondContact O-N 3.32Å; V783-K787 VanDerWaalsContact O-N 3.09Å
784	H	47.7	Very low	51.9	Low	136 Å²	136	121.8 Å²	121.8	63%	0.63	62%	0.616	S	S	*	*	H	α-helix	trans	-69.6	-38.3	171.6	-96.3	52	0	0	0	112.6	K780 I781 N786 K787 M788	K780-H784 WeakPolarHBondContact O-CB 3.49Å; K780-H784 PolarHBondContact O-N 3.33Å; I781-H784 PolarHBondContact O-N 2.9Å; H784-N786 PolarHBondContact O-N 3.14Å; H784-K787 PolarHBondContact O-N 3.15Å; H784-M788 PolarHBondContact O-N 3.05Å
785	G	47.9	Very low	51	Low	40 Å²	40	122.6 Å²	122.6	41%	0.412	62%	0.621	S	S	.	*	H	α-helix	trans	-60.4	-43.7	174.9	0	0	0	0	0	112.4	I781 I782 M788 M789	I781-G785 PolarHBondContact O-N 3.25Å; I782-G785 PolarHBondContact O-N 3.33Å; G785-M788 PolarHBondContact O-N 3.03Å; G785-M789 PolarHBondContact O-N 2.64Å; G785-M789 VanDerWaalsContact O-N 3.11Å
786	N	45.5	Very low	50.2	Low	105 Å²	105	123.2 Å²	123.2	56%	0.561	62%	0.623	S	S	*	*	H	α-helix	trans	-74.4	-24.7	177.5	-81.9	-10.5	0	0	0	113.8	I782 H784 K790	I782-N786 PolarHBondContact O-N 2.88Å; H784-N786 PolarHBondContact O-N 3.14Å; N786-K790 PolarHBondContact O-N 3.4Å
787	K	43.7	Very low	49.3	Very low	148 Å²	148	125.1 Å²	125.1	64%	0.643	63%	0.632	S	S	*	*	H	α-helix	trans	-74.9	-36.2	172.8	-120.6	-178.9	179.2	-175.8	0	112.1	V783 H784 K790 Q791	V783-K787 PolarHBondContact O-N 3.32Å; V783-K787 VanDerWaalsContact O-N 3.09Å; H784-K787 PolarHBondContact O-N 3.15Å; K787-K790 PolarHBondContact O-N 3.2Å; K787-Q791 PolarHBondContact O-N 3.45Å
788	M	45.6	Very low	48.6	Very low	144 Å²	144	128.4 Å²	128.4	71%	0.709	65%	0.645	S	S	*	*	H	α-helix	trans	-66.7	-39.1	172.3	-84.4	-167.5	165.4	0	0	111.9	H784 G785 K790 Q791 S792	H784-M788 PolarHBondContact O-N 3.05Å; G785-M788 PolarHBondContact O-N 3.03Å; M788-K790 VanDerWaalsContact C-N 3.3Å; M788-K790 PolarHBondContact O-N 3.25Å; M788-Q791 PolarHBondContact O-N 3.34Å; M788-S792 PolarHBondContact O-N 3.01Å
789	M	44.9	Very low	48.1	Very low	132 Å²	132	127.8 Å²	127.8	65%	0.65	65%	0.647	S	S	*	*	H	α-helix	trans	-70.3	-26.2	179.4	-138.2	177.6	-157.1	0	0	113.3	G785 Q791 S792	G785-M789 PolarHBondContact O-N 2.64Å; G785-M789 VanDerWaalsContact O-N 3.11Å; M789-Q791 VanDerWaalsContact C-N 3.3Å; M789-S792 PolarHBondContact O-OG 3.09Å
790	K	46.3	Very low	47.6	Very low	172 Å²	172	128.3 Å²	128.3	75%	0.748	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-4.3	169.6	-86.4	-170.1	175.3	-174.4	0	114.5	N786 K787 M788	N786-K790 PolarHBondContact O-N 3.4Å; K787-K790 PolarHBondContact O-N 3.2Å; M788-K790 VanDerWaalsContact C-N 3.3Å; M788-K790 PolarHBondContact O-N 3.25Å
791	Q	45.6	Very low	47.2	Very low	162 Å²	162	126.7 Å²	126.7	76%	0.757	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	-9.4	174.1	-78.4	-175.6	-37.3	0	0	113	K787 M788 M789	K787-Q791 PolarHBondContact O-N 3.45Å; M788-Q791 PolarHBondContact O-N 3.34Å; M789-Q791 VanDerWaalsContact C-N 3.3Å
792	S	46	Very low	46.6	Very low	98 Å²	98	127.2 Å²	127.2	69%	0.685	66%	0.657	S	S	*	*			trans	-90.6	-4	166.3	73.5	0	0	0	0	113.2	M788 M789	M788-S792 PolarHBondContact O-N 3.01Å; M789-S792 PolarHBondContact O-OG 3.09Å
793	I	40.6	Very low	46.1	Very low	191 Å²	191	129.2 Å²	129.2	98%	0.979	67%	0.667	S	S	*	*			trans	-101.7	0	157.7	-55.4	171.9	0	0	0	105.4

Retrieved 793 of 793 residues in 246.7 ms (Link to these results)

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