A0A077ZE07_TRITR Loading...

Breast carcinoma amplified sequence 3

AlphaFold DB , UniProt , Accession A0A077ZE07, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 843 aa.

						>A0A077ZE07_TRITR|A0A077ZE07
MSTESLVHSKCGREVKPEPHSEPSFVNTVSMLIHRAVPQQSSAAAKEAERILWVSFEKCDMNDPQYKSILSHIYGSEVPLIMAFGLSNGFQLWACMFNGDCVELLSIRDQPVCVVKLLPSYRSSSDDTTCDAFRESRPLLAVLPYSRSDLQVDLSLISLKSGKTVHTIRCSDSMGTIIANSRFVIVTSSTKVRIIHAGSFEELIVLTEHSLSNSQYRDCVALGSTWFAYPDSMIHRAHQSFGGVSLEVPLQSSRIATVAKTVSKTVSDMKRTVSNSVVGNRPSSRSGTAVETRFDEVGVVTIIDLAVFPHTAGGLSSFASGCQGVVAHFAAHLDEKVSCMAFNPSGTMLLTGGKSGREFHVFNVLPHPCDSSTGAVHHLYTLFRGNTNAAVQGIVFSDDSRWVAVTTVNGTSHVFAITPYGGPVSKRTHGSSKVVNRESRFERSSGVATLQQRMGAGVQKNADILCTKGVFSGSPVVKRYYPMADSPLCWDSQISRNPRLPPYSLPVAQFAVVKVKPLDFLTTQELSCSDVLWRQLYTSHNARLFYLTQAATFASARGIRVLNESQLQEGHILAFYTVGIDGKLNEFTVNVKDVAKVGPKAASAACALEVSLSPTAQWSLHRTKSNPCIEPPLEASHLIIIVNDTLQRIMSNRSNSRLGSPEVARPLVGDSSWISEIEIVTYAGPHRRLWMGPQFTFKTFLDRGDTTSAEAFSACKERSEPMTVPTRQPYSVVPVVEARSAGSIDIAPELTIEVCGSWSDNDYVTSSGNEGTLRKSIIQAMQEQVTIDDEVLSGTVSPESASPCLVHMDSSDRKSYDENATSDSSSSIGQETSSLQFSSLVDL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	30	Very low	41.6	Very low	237 Å²	237	121.5 Å²	121.5	100%	1.167	66%	0.658	S	S	*	*				0	121.2	0	-72.2	-172.4	173.3	0	0	106.5	T3	M1-T3 PolarHBondContact O-N 3.49Å
2	S	32.4	Very low	44.5	Very low	104 Å²	104	113.5 Å²	113.5	73%	0.727	63%	0.625	S	S	*	*			trans	-55.3	127	176	38.4	0	0	0	0	109	E4	S2-E4 PolarHBondContact O-N 2.98Å
3	T	33.4	Very low	47.9	Very low	146 Å²	146	110.1 Å²	110.1	90%	0.896	60%	0.597	S	S	*	*			trans	-73.9	61.7	175.8	48.4	0	0	0	0	109.7	M1 S5	M1-T3 PolarHBondContact O-N 3.49Å; T3-S5 PolarHBondContact O-N 2.94Å
4	E	34.7	Very low	50.9	Low	155 Å²	155	109.9 Å²	109.9	72%	0.724	59%	0.591	S	S	*	*			trans	-79.8	103.8	159.2	-74.3	-177	170.2	0	0	106.1	S2 L6	S2-E4 PolarHBondContact O-N 2.98Å; E4-L6 PolarHBondContact O-N 3.38Å
5	S	41.8	Very low	53.7	Low	100 Å²	100	104 Å²	104	70%	0.699	56%	0.56	S	S	*	*			trans	-36.3	101.9	167.9	154.6	0	0	0	0	110.4	T3 V7	T3-S5 PolarHBondContact O-N 2.94Å; S5-V7 PolarHBondContact O-N 2.76Å
6	L	34.9	Very low	56.2	Low	158 Å²	158	106.4 Å²	106.4	83%	0.827	56%	0.564	S	S	*	*			trans	-77.1	14.6	-171	-136.4	101.9	0	0	0	113.8	E4 H8	E4-L6 PolarHBondContact O-N 3.38Å; L6-H8 PolarHBondContact O-N 3.08Å; L6-H8 VanDerWaalsContact O-N 3.17Å
7	V	40.6	Very low	58.4	Low	56 Å²	56	100.9 Å²	100.9	34%	0.339	54%	0.535	S	S	.	.			trans	-91.9	78.7	-177.7	-171.1	0	0	0	0	109.2	S5 S9 I641	S5-V7 PolarHBondContact O-N 2.76Å; V7-S9 PolarHBondContact O-N 3.38Å; V7-I641 HydrophobicContact CG1-CD1 4.3Å
8	H	40.6	Very low	60.2	Low	179 Å²	179	100.6 Å²	100.6	83%	0.829	53%	0.53	S	S	*	.			trans	-69.7	63.7	154.1	-71.6	83.9	0	0	0	108.4	L6	L6-H8 PolarHBondContact O-N 3.08Å; L6-H8 VanDerWaalsContact O-N 3.17Å
9	S	52	Low	61.7	Low	21 Å²	21	99.9 Å²	99.9	15%	0.147	53%	0.532	C	S	.	.			trans	-69	130.1	166.2	169	0	0	0	0	106.2	V7 C11 S636 L638	V7-S9 PolarHBondContact O-N 3.38Å; S9-C11 PolarHBondContact O-N 2.89Å; S9-C11 PolarHBondContact OG-N 3.46Å; S9-C11 PolarHBondContact OG-SG 3.32Å; S9-S636 WeakPolarHBondContact CB-O 3.37Å; S9-S636 PolarHBondContact OG-O 3.14Å; S9-L638 PolarHBondContact OG-N 2.78Å
10	K	54.2	Low	62.6	Low	140 Å²	140	96.4 Å²	96.4	61%	0.609	51%	0.512	S	S	*	.			trans	-67.3	72.1	160.1	-73.4	-174.8	-168.3	160.5	0	107.6	E634	K10-E634 IonicContact NZ-OE1 3.36Å; K10-E634 PolarHBondContact NZ-OE1 3.33Å; K10-E634 IonicContact NZ-OE2 2.67Å; K10-E634 PolarHBondContact NZ-OE2 3.28Å
11	C	62.8	Low	62.9	Low	40 Å²	40	95.4 Å²	95.4	27%	0.27	51%	0.513	S	S	.	.			trans	-69.6	159.7	161.2	-68.6	0	0	0	0	108.1	S9 V102	S9-C11 PolarHBondContact O-N 2.89Å; S9-C11 PolarHBondContact OG-N 3.46Å; S9-C11 PolarHBondContact OG-SG 3.32Å; C11-V102 HydrophobicContact CB-CB 4.07Å; C11-V102 HydrophobicContact CB-CG1 4.41Å
12	G	76.1	Confident	64.4	Low	26 Å²	26	91 Å²	91	27%	0.268	49%	0.49	S	S	.	.	S	Bend	trans	-73	-141.9	175.9	0	0	0	0	0	112	E14 E103 I629	G12-E14 PolarHBondContact O-N 3.38Å; G12-E103 PolarHBondContact N-O 3.48Å; G12-I629 VanDerWaalsContact N-CD1 3.34Å
13	R	89.1	Confident	65.7	Low	69 Å²	69	88.8 Å²	88.8	26%	0.26	47%	0.473	S	S	.	.			trans	-60.5	135.9	176.8	-175.7	-177	72.9	-161.6	-7	110.5	V15 W93 E103 L620 H621 N626	R13-V15 HydrophobicContact CG-CG2 4.2Å; R13-W93 HydrophobicContact CB-CH2 4.03Å; R13-W93 HydrophobicContact CG-CH2 4.39Å; R13-W93 VanDerWaalsContact NE-CH2 3.34Å; R13-W93 VanDerWaalsContact NH2-CH2 3.29Å; R13-W93 VanDerWaalsContact O-CZ3 3.24Å; R13-W93 WeakPolarHBondContact O-CZ3 3.4Å; R13-E103 PolarHBondContact N-OE2 3.33Å; R13-E103 PolarHBondContact O-N 2.99Å; R13-L620 VanDerWaalsContact NH2-C 3.3Å; R13-L620 PolarHBondContact NH2-O 3.24Å; R13-H621 PolarHBondContact NH1-O 3.06Å; R13-H621 PolarHBondContact NH2-O 2.85Å; R13-N626 PolarHBondContact NH1-ND2 3.22Å
14	E	90.3	Very high	67	Low	108 Å²	108	84.5 Å²	84.5	51%	0.505	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.8	170.3	-171.7	174.6	-175.3	0	0	109.8	G12 D100 C101 V102	G12-E14 PolarHBondContact O-N 3.38Å; E14-D100 HydrophobicContact CG-CB 4.08Å; E14-D100 WeakPolarHBondContact OE1-CB 3.46Å; E14-D100 VanDerWaalsContact OE1-CG 3.3Å; E14-C101 CarbonylContact C-O 3.53Å; E14-C101 WeakPolarHBondContact CA-O 3.47Å; E14-V102 HydrophobicContact CG-CG1 4.17Å
15	V	93.1	Very high	68.7	Low	21 Å²	21	85.3 Å²	85.3	13%	0.127	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.9	-179.6	-178	0	0	0	0	108.1	R13 W93 C101 W618 L620	R13-V15 HydrophobicContact CG-CG2 4.2Å; V15-W93 HydrophobicContact CG2-CH2 4Å; V15-W93 HydrophobicContact CG2-CZ3 3.97Å; V15-C101 HydrophobicContact CB-CB 4.27Å; V15-C101 PolarHBondContact N-O 3.43Å; V15-C101 PolarHBondContact O-N 3.34Å; V15-W618 HydrophobicContact CG1-CB 4.28Å; V15-L620 HydrophobicContact CB-CD2 4.06Å; V15-L620 HydrophobicContact CG1-CD2 4.26Å; V15-L620 HydrophobicContact CG2-CD2 4.14Å
16	K	93.1	Very high	70	Confident	143 Å²	143	85.4 Å²	85.4	62%	0.622	45%	0.446	S	S	*	.			trans	-80.7	155.7	177.7	-61.7	-157.9	169.7	-172.7	0	111.3	D100	K16-D100 WeakPolarHBondContact CG-OD1 3.46Å
17	P	93.7	Very high	71.4	Confident	12 Å²	12	82.2 Å²	82.2	8%	0.078	43%	0.43	C	S	.	.			trans	-65.4	137.9	174	24.3	-30.5	0	0	0	111	G99 V561 A616 W618	P17-G99 WeakPolarHBondContact CD-O 3.1Å; P17-V561 HydrophobicContact CG-CB 3.8Å; P17-V561 HydrophobicContact CG-CG1 3.75Å; P17-V561 HydrophobicContact CG-CG2 4.11Å; P17-A616 HydrophobicContact CB-CB 4.2Å; P17-W618 HydrophobicContact CB-CD2 4.46Å; P17-W618 HydrophobicContact CB-CH2 4.47Å; P17-W618 HydrophobicContact CB-CZ2 3.65Å; P17-W618 HydrophobicContact CG-CZ2 4.43Å
18	E	91.4	Very high	72.6	Confident	96 Å²	96	81.4 Å²	81.4	45%	0.449	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	146.6	168.9	-66.2	177.4	176.8	0	0	109.4	H20 A616 Q617	E18-H20 PolarHBondContact O-N 3.45Å; E18-A616 CarbonylContact O-C 3.52Å; E18-A616 VanDerWaalsContact O-CA 3.32Å; E18-A616 WeakPolarHBondContact O-CA 3.48Å; E18-Q617 HydrophobicContact CB-CG 4.09Å; E18-Q617 PolarHBondContact N-O 3.37Å; E18-Q617 PolarHBondContact O-N 3.4Å
19	P	87.3	Confident	73.9	Confident	88 Å²	88	75.5 Å²	75.5	57%	0.571	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	140.5	172.4	27.2	-33.7	0	0	0	109.9	S21 L562 Q617	P19-S21 PolarHBondContact O-N 3.16Å; P19-L562 HydrophobicContact CB-CD1 4.22Å; P19-Q617 PolarHBondContact O-NE2 3.06Å
20	H	79.6	Confident	74.5	Confident	29 Å²	29	77.5 Å²	77.5	13%	0.134	42%	0.416	C	S	.	.			trans	-66.2	111.5	178.6	-179.2	-85.2	0	0	0	110.8	E18 L518 P614 T615	E18-H20 PolarHBondContact O-N 3.45Å; H20-L518 WeakPolarHBondContact NE2-CD2 3.25Å; H20-P614 HydrophobicContact CB-CB 4.01Å; H20-P614 VanDerWaalsContact CG-CB 3.5Å; H20-T615 PolarHBondContact N-O 3.39Å
21	S	69.1	Low	74.8	Confident	76 Å²	76	75.5 Å²	75.5	53%	0.531	41%	0.41	S	S	.	.			trans	-88.5	106.4	172.7	63.3	0	0	0	0	109.7	P19 P23	P19-S21 PolarHBondContact O-N 3.16Å; S21-P23 WeakPolarHBondContact O-CD 3.23Å
22	E	62.2	Low	74.9	Confident	144 Å²	144	78 Å²	78	67%	0.673	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-64.5	123.5	161.7	-74.8	-170.8	173.1	0	0	107.8	S24	E22-S24 PolarHBondContact O-N 3.09Å
23	P	60.3	Low	74.3	Confident	57 Å²	57	81.4 Å²	81.4	37%	0.37	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-60.8	121.5	173.6	25.9	-31.6	0	0	0	107	S21 N27 T28	S21-P23 WeakPolarHBondContact O-CD 3.23Å; P23-N27 HydrophobicContact CB-CB 4.42Å; P23-T28 WeakPolarHBondContact CB-OG1 3.39Å
24	S	60.2	Low	73	Confident	56 Å²	56	83 Å²	83	39%	0.392	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-51.1	148.9	172.3	73.6	0	0	0	0	108.9	E22 V26 N27 T28	E22-S24 PolarHBondContact O-N 3.09Å; S24-V26 PolarHBondContact O-N 2.87Å; S24-V26 VanDerWaalsContact O-N 3.08Å; S24-N27 WeakPolarHBondContact O-CA 3.17Å; S24-N27 PolarHBondContact O-N 3.5Å; S24-N27 WeakPolarHBondContact OG-CB 3.49Å; S24-N27 PolarHBondContact OG-N 3.06Å; S24-N27 PolarHBondContact OG-OD1 2.94Å; S24-T28 PolarHBondContact O-N 2.73Å; S24-T28 PolarHBondContact O-OG1 2.67Å
25	F	70	Confident	71	Confident	172 Å²	172	84.5 Å²	84.5	75%	0.754	44%	0.443	S	S	*	.	H	α-helix	trans	-50.6	-38.6	176.9	176.4	-98	0	0	0	111.1	T28 V29	F25-T28 PolarHBondContact O-N 3.36Å; F25-V29 HydrophobicContact CD1-CG2 4.23Å; F25-V29 HydrophobicContact CD2-CG2 4.47Å; F25-V29 HydrophobicContact CE1-CG2 3.81Å; F25-V29 HydrophobicContact CE2-CG2 4.08Å; F25-V29 HydrophobicContact CZ-CG2 3.73Å; F25-V29 WeakPolarHBondContact O-CB 3.28Å; F25-V29 VanDerWaalsContact O-CG2 3.28Å; F25-V29 WeakPolarHBondContact O-CG2 3.46Å; F25-V29 PolarHBondContact O-N 3.25Å
26	V	69.9	Low	69.2	Low	102 Å²	102	86.2 Å²	86.2	62%	0.618	46%	0.459	S	S	*	.	H	α-helix	trans	-63.3	-44.5	174.9	-177.6	0	0	0	0	112	S24 V29 S30	S24-V26 PolarHBondContact O-N 2.87Å; S24-V26 VanDerWaalsContact O-N 3.08Å; V26-V29 PolarHBondContact O-N 2.97Å; V26-S30 WeakPolarHBondContact O-CB 3.4Å; V26-S30 PolarHBondContact O-N 2.87Å
27	N	63.6	Low	67.3	Low	91 Å²	91	83.2 Å²	83.2	49%	0.487	45%	0.452	S	S	.	.	H	α-helix	trans	-64.6	-40.9	175.8	-74.9	-0.5	0	0	0	111.5	P23 S24 S30 M31	P23-N27 HydrophobicContact CB-CB 4.42Å; S24-N27 WeakPolarHBondContact O-CA 3.17Å; S24-N27 PolarHBondContact O-N 3.5Å; S24-N27 WeakPolarHBondContact OG-CB 3.49Å; S24-N27 PolarHBondContact OG-N 3.06Å; S24-N27 PolarHBondContact OG-OD1 2.94Å; N27-S30 PolarHBondContact O-N 3.02Å; N27-M31 VanDerWaalsContact O-CB 3.25Å; N27-M31 WeakPolarHBondContact O-CB 3.25Å; N27-M31 WeakPolarHBondContact O-CG 3.45Å; N27-M31 PolarHBondContact O-N 2.8Å
28	T	65.7	Low	65	Low	40 Å²	40	88.5 Å²	88.5	25%	0.245	49%	0.486	C	S	.	.	H	α-helix	trans	-61.8	-48.1	177.3	-55.9	0	0	0	0	110.9	P23 S24 F25 M31 L32	P23-T28 WeakPolarHBondContact CB-OG1 3.39Å; S24-T28 PolarHBondContact O-N 2.73Å; S24-T28 PolarHBondContact O-OG1 2.67Å; F25-T28 PolarHBondContact O-N 3.36Å; T28-M31 PolarHBondContact O-N 3.25Å; T28-L32 WeakPolarHBondContact O-CB 3.45Å; T28-L32 PolarHBondContact O-N 3.11Å
29	V	67.6	Low	62.7	Low	54 Å²	54	88.9 Å²	88.9	33%	0.327	49%	0.488	S	S	.	.	H	α-helix	trans	-66.1	-42.1	177.1	172.6	0	0	0	0	111.1	F25 V26 L32 I33	F25-V29 HydrophobicContact CD1-CG2 4.23Å; F25-V29 HydrophobicContact CD2-CG2 4.47Å; F25-V29 HydrophobicContact CE1-CG2 3.81Å; F25-V29 HydrophobicContact CE2-CG2 4.08Å; F25-V29 HydrophobicContact CZ-CG2 3.73Å; F25-V29 WeakPolarHBondContact O-CB 3.28Å; F25-V29 VanDerWaalsContact O-CG2 3.28Å; F25-V29 WeakPolarHBondContact O-CG2 3.46Å; F25-V29 PolarHBondContact O-N 3.25Å; V26-V29 PolarHBondContact O-N 2.97Å; V29-L32 WeakPolarHBondContact O-CB 3.37Å; V29-L32 PolarHBondContact O-N 2.95Å; V29-I33 HydrophobicContact CG1-CD1 3.67Å; V29-I33 HydrophobicContact CG1-CG1 4.33Å; V29-I33 VanDerWaalsContact O-CG1 3.23Å; V29-I33 WeakPolarHBondContact O-CG1 3.39Å; V29-I33 PolarHBondContact O-N 3.47Å
30	S	64.9	Low	60.3	Low	63 Å²	63	94.7 Å²	94.7	44%	0.441	51%	0.508	S	S	.	.	H	α-helix	trans	-63	-43.5	177.5	-179	0	0	0	0	111.8	V26 N27 L32 I33 H34	V26-S30 WeakPolarHBondContact O-CB 3.4Å; V26-S30 PolarHBondContact O-N 2.87Å; N27-S30 PolarHBondContact O-N 3.02Å; S30-L32 VanDerWaalsContact C-N 3.34Å; S30-I33 PolarHBondContact O-N 3.44Å; S30-H34 VanDerWaalsContact O-CB 3.25Å; S30-H34 WeakPolarHBondContact O-CB 3.42Å; S30-H34 PolarHBondContact O-N 3.28Å
31	M	60.8	Low	58.5	Low	98 Å²	98	96.8 Å²	96.8	48%	0.483	53%	0.526	S	S	.	.	H	α-helix	trans	-63.8	-38.6	174.1	-75.1	-65.4	-63.8	0	0	112.1	N27 T28 R35	N27-M31 VanDerWaalsContact O-CB 3.25Å; N27-M31 WeakPolarHBondContact O-CB 3.25Å; N27-M31 WeakPolarHBondContact O-CG 3.45Å; N27-M31 PolarHBondContact O-N 2.8Å; T28-M31 PolarHBondContact O-N 3.25Å; M31-R35 WeakPolarHBondContact O-CB 3.28Å; M31-R35 PolarHBondContact O-N 3.11Å; M31-R35 VanDerWaalsContact O-N 3.11Å
32	L	64.2	Low	57.2	Low	92 Å²	92	99.2 Å²	99.2	48%	0.482	54%	0.543	S	S	.	.	H	α-helix	trans	-63.5	-46	174.7	-163.5	103.2	0	0	0	110.8	T28 V29 S30 R35 A36	T28-L32 WeakPolarHBondContact O-CB 3.45Å; T28-L32 PolarHBondContact O-N 3.11Å; V29-L32 WeakPolarHBondContact O-CB 3.37Å; V29-L32 PolarHBondContact O-N 2.95Å; S30-L32 VanDerWaalsContact C-N 3.34Å; L32-R35 PolarHBondContact O-N 2.78Å; L32-A36 WeakPolarHBondContact O-CB 3.38Å; L32-A36 PolarHBondContact O-N 2.99Å
33	I	64.7	Low	56.2	Low	98 Å²	98	96.1 Å²	96.1	50%	0.503	54%	0.542	S	S	.	.	H	α-helix	trans	-66.2	-47	178	-66.8	166	0	0	0	111.1	V29 S30 R35 A36 V37	V29-I33 HydrophobicContact CG1-CD1 3.67Å; V29-I33 HydrophobicContact CG1-CG1 4.33Å; V29-I33 VanDerWaalsContact O-CG1 3.23Å; V29-I33 WeakPolarHBondContact O-CG1 3.39Å; V29-I33 PolarHBondContact O-N 3.47Å; S30-I33 PolarHBondContact O-N 3.44Å; I33-R35 PolarHBondContact O-N 2.95Å; I33-A36 PolarHBondContact O-N 3.14Å; I33-V37 HydrophobicContact CG2-CG2 4.5Å; I33-V37 WeakPolarHBondContact O-CG2 3.49Å; I33-V37 PolarHBondContact O-N 3.45Å
34	H	60.3	Low	55.4	Low	104 Å²	104	98.4 Å²	98.4	48%	0.481	57%	0.565	S	S	.	*	H	α-helix	trans	-66.3	-21	-178.7	-162.1	-65.8	0	0	0	112.4	S30 Q39	S30-H34 VanDerWaalsContact O-CB 3.25Å; S30-H34 WeakPolarHBondContact O-CB 3.42Å; S30-H34 PolarHBondContact O-N 3.28Å; H34-Q39 VanDerWaalsContact CE1-CD 3.46Å; H34-Q39 PolarHBondContact CE1-NE2 3.25Å; H34-Q39 PolarHBondContact CE1-OE1 2.8Å; H34-Q39 VanDerWaalsContact CE1-OE1 3.28Å; H34-Q39 PolarHBondContact NE2-NE2 2.86Å
35	R	50.1	Low	54.7	Low	139 Å²	139	99.4 Å²	99.4	53%	0.525	58%	0.577	S	S	.	*	H	α-helix	trans	-84	-42	170	-83.8	-174.1	169.9	143.4	-1.7	113.4	M31 L32 I33 V37 T522	M31-R35 WeakPolarHBondContact O-CB 3.28Å; M31-R35 PolarHBondContact O-N 3.11Å; M31-R35 VanDerWaalsContact O-N 3.11Å; L32-R35 PolarHBondContact O-N 2.78Å; I33-R35 PolarHBondContact O-N 2.95Å; R35-V37 PolarHBondContact O-N 3.04Å; R35-T522 VanDerWaalsContact NH1-CG2 3.33Å
36	A	55.1	Low	53.9	Low	57 Å²	57	99.2 Å²	99.2	47%	0.471	58%	0.576	S	S	.	*	H	α-helix	trans	-66	-21.7	178.3	0	0	0	0	0	113.1	L32 I33 P38	L32-A36 WeakPolarHBondContact O-CB 3.38Å; L32-A36 PolarHBondContact O-N 2.99Å; I33-A36 PolarHBondContact O-N 3.14Å; A36-P38 VanDerWaalsContact O-CD 3.28Å; A36-P38 WeakPolarHBondContact O-CD 3.47Å
37	V	53.6	Low	53.8	Low	80 Å²	80	100.5 Å²	100.5	49%	0.485	58%	0.575	S	S	.	*	S	Bend	trans	-85.7	111.1	171	178.6	0	0	0	0	108.9	I33 R35 Q39	I33-V37 HydrophobicContact CG2-CG2 4.5Å; I33-V37 WeakPolarHBondContact O-CG2 3.49Å; I33-V37 PolarHBondContact O-N 3.45Å; R35-V37 PolarHBondContact O-N 3.04Å; V37-Q39 PolarHBondContact O-N 2.64Å
38	P	44.6	Very low	54.5	Low	122 Å²	122	98.3 Å²	98.3	79%	0.792	57%	0.57	S	S	*	*			trans	-67	96.7	177.2	24.7	-30.7	0	0	0	109.6	A36 Q40	A36-P38 VanDerWaalsContact O-CD 3.28Å; A36-P38 WeakPolarHBondContact O-CD 3.47Å; P38-Q40 PolarHBondContact O-N 3.29Å
39	Q	42.2	Very low	55.4	Low	105 Å²	105	97.3 Å²	97.3	49%	0.491	56%	0.562	S	S	.	*			trans	-80	116.1	169.3	-73.1	-163.7	-7.7	0	0	109.6	H34 V37 S41	H34-Q39 VanDerWaalsContact CE1-CD 3.46Å; H34-Q39 PolarHBondContact CE1-NE2 3.25Å; H34-Q39 PolarHBondContact CE1-OE1 2.8Å; H34-Q39 VanDerWaalsContact CE1-OE1 3.28Å; H34-Q39 PolarHBondContact NE2-NE2 2.86Å; V37-Q39 PolarHBondContact O-N 2.64Å; Q39-S41 PolarHBondContact O-N 2.93Å; Q39-S41 PolarHBondContact OE1-OG 2.86Å
40	Q	36.8	Very low	56.2	Low	209 Å²	209	99.8 Å²	99.8	98%	0.977	57%	0.566	S	S	*	*			trans	-67.5	81.1	151	-69.1	179	-12.6	0	0	107.5	P38	P38-Q40 PolarHBondContact O-N 3.29Å
41	S	41.7	Very low	57.4	Low	73 Å²	73	97.2 Å²	97.2	51%	0.51	55%	0.547	S	S	.	.			trans	-126.9	114.8	171.9	61.2	0	0	0	0	111	Q39 A43	Q39-S41 PolarHBondContact O-N 2.93Å; Q39-S41 PolarHBondContact OE1-OG 2.86Å; S41-A43 PolarHBondContact O-N 3.34Å
42	S	43.1	Very low	58.7	Low	128 Å²	128	93.6 Å²	93.6	90%	0.895	53%	0.53	S	S	*	.			trans	-74.7	47.8	-179.4	66.5	0	0	0	0	112.7	A44	S42-A44 PolarHBondContact O-N 3.31Å
43	A	41.4	Very low	59.9	Low	78 Å²	78	89.9 Å²	89.9	65%	0.645	51%	0.509	S	S	*	.			trans	-83.2	115.4	165	0	0	0	0	0	106.7	S41 A45	S41-A43 PolarHBondContact O-N 3.34Å; A43-A45 PolarHBondContact O-N 3.49Å
44	A	42.3	Very low	61.2	Low	105 Å²	105	85.2 Å²	85.2	87%	0.868	49%	0.486	S	S	*	.			trans	-63.9	62.3	162.2	0	0	0	0	0	109.1	S42 K46	S42-A44 PolarHBondContact O-N 3.31Å; A44-K46 PolarHBondContact O-N 3.44Å; A44-K46 VanDerWaalsContact O-N 3.09Å
45	A	45.4	Very low	62.7	Low	78 Å²	78	80.9 Å²	80.9	65%	0.645	47%	0.467	S	S	*	.			trans	-54.5	118.8	168.8	0	0	0	0	0	105	A43 E47	A43-A45 PolarHBondContact O-N 3.49Å; A45-E47 VanDerWaalsContact C-N 3.32Å; A45-E47 PolarHBondContact O-N 2.85Å
46	K	53.3	Low	64.9	Low	167 Å²	167	76.1 Å²	76.1	73%	0.726	45%	0.45	S	S	*	.			trans	-43	100.3	176.9	-69.6	174.8	177.6	176.2	0	107.8	A44 A48 T623	A44-K46 PolarHBondContact O-N 3.44Å; A44-K46 VanDerWaalsContact O-N 3.09Å; K46-A48 PolarHBondContact O-N 2.83Å; K46-T623 HydrophobicContact CB-CG2 3.8Å; K46-T623 HydrophobicContact CD-CG2 4.28Å
47	E	68.2	Low	66.8	Low	129 Å²	129	74 Å²	74	60%	0.603	43%	0.43	S	S	*	.			trans	-67.7	102.1	-173.4	-164.9	-178.1	-168.1	0	0	106	A45 E49 K624	A45-E47 VanDerWaalsContact C-N 3.32Å; A45-E47 PolarHBondContact O-N 2.85Å; E47-E49 PolarHBondContact O-N 3.02Å; E47-K624 IonicContact OE2-NZ 3.69Å; E47-K624 PolarHBondContact OE2-NZ 3.46Å
48	A	78.6	Confident	68.6	Low	46 Å²	46	77.5 Å²	77.5	38%	0.38	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-61.6	135.7	179.3	0	0	0	0	0	108	K46 R50 H621 R622	K46-A48 PolarHBondContact O-N 2.83Å; A48-R50 PolarHBondContact O-N 3.46Å; A48-H621 HydrophobicContact CB-CB 4.39Å; A48-R622 CarbonylContact C-O 3.55Å; A48-R622 VanDerWaalsContact CA-O 3.28Å; A48-R622 WeakPolarHBondContact CA-O 3.35Å
49	E	83.8	Confident	70.9	Confident	18 Å²	18	72.3 Å²	72.3	8%	0.084	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-63.8	133.7	174.7	-69.2	-179.9	-162.4	0	0	108.8	E47 I51 L86 R108 R622	E47-E49 PolarHBondContact O-N 3.02Å; E49-I51 PolarHBondContact O-N 2.67Å; E49-L86 WeakPolarHBondContact OE2-CD1 3.22Å; E49-R108 IonicContact OE1-CZ 3.97Å; E49-R108 VanDerWaalsContact OE1-CZ 3.27Å; E49-R108 IonicContact OE1-NE 2.79Å; E49-R108 PolarHBondContact OE1-NE 2.85Å; E49-R108 IonicContact OE1-NH2 3.27Å; E49-R108 PolarHBondContact OE1-NH2 3.35Å; E49-R622 HydrophobicContact CB-CB 4.41Å; E49-R622 PolarHBondContact N-O 2.78Å; E49-R622 IonicContact OE1-NH1 2.92Å; E49-R622 WeakPolarHBondContact OE2-CD 3.42Å; E49-R622 IonicContact OE2-CZ 2.89Å; E49-R622 IonicContact OE2-NE 2.81Å; E49-R622 IonicContact OE2-NH1 3.82Å; E49-R622 PolarHBondContact OE2-NH1 2.93Å
50	R	85.9	Confident	73.3	Confident	106 Å²	106	67.8 Å²	67.8	40%	0.4	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-69.3	124.1	-176.4	-177.5	-179.9	178.1	153.8	6	109.8	A48 L52 L86 S87 D530	A48-R50 PolarHBondContact O-N 3.46Å; R50-L52 HydrophobicContact CG-CD2 4.27Å; R50-L86 CarbonylContact O-C 3.54Å; R50-L86 WeakPolarHBondContact O-CA 3.5Å; R50-S87 PolarHBondContact O-N 2.96Å; R50-D530 IonicContact CZ-OD1 3.54Å; R50-D530 IonicContact NH1-OD1 2.97Å; R50-D530 PolarHBondContact NH1-OD1 3.47Å; R50-D530 IonicContact NH2-OD1 3.61Å; R50-D530 PolarHBondContact NH2-OD1 2.86Å
51	I	89.5	Confident	75.9	Confident	9 Å²	9	58.1 Å²	58.1	5%	0.046	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	128.9	171	-58.3	158.5	0	0	0	108.1	E49 V54 F84 L86 I580	E49-I51 PolarHBondContact O-N 2.67Å; I51-V54 HydrophobicContact CG2-CG1 3.72Å; I51-F84 HydrophobicContact CD1-CD1 3.84Å; I51-F84 HydrophobicContact CD1-CE1 4.24Å; I51-F84 HydrophobicContact CG1-CD1 4.25Å; I51-F84 HydrophobicContact CG2-CD1 4.03Å; I51-L86 HydrophobicContact CB-CD2 4.27Å; I51-L86 HydrophobicContact CG1-CD2 3.54Å; I51-I580 HydrophobicContact CB-CB 4.49Å; I51-I580 HydrophobicContact CG2-CB 4.37Å; I51-I580 HydrophobicContact CG2-CG2 4.2Å
52	L	87.3	Confident	78.4	Confident	23 Å²	23	56 Å²	56	12%	0.12	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-35.7	178.7	-59.4	-177	0	0	0	111.5	R50 G85 P111 Y546	R50-L52 HydrophobicContact CG-CD2 4.27Å; L52-G85 PolarHBondContact N-O 3.1Å; L52-P111 HydrophobicContact CD1-CB 4.35Å; L52-Y546 HydrophobicContact CB-CD2 4.29Å; L52-Y546 HydrophobicContact CB-CE2 4.24Å
53	W	89.2	Confident	80.7	Confident	14 Å²	14	51.6 Å²	51.6	5%	0.053	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	157	-176.7	61.5	-99.6	0	0	0	112.6	A83 G85 V112 V115 Y546 L547	W53-A83 HydrophobicContact CH2-CB 4.36Å; W53-A83 HydrophobicContact CZ3-CB 4.01Å; W53-G85 PolarHBondContact N-O 3.31Å; W53-G85 PolarHBondContact O-N 2.8Å; W53-V112 HydrophobicContact CZ2-CG2 4Å; W53-V112 PolarHBondContact NE1-O 3.48Å; W53-V115 HydrophobicContact CH2-CB 3.9Å; W53-V115 HydrophobicContact CH2-CG2 4.04Å; W53-V115 HydrophobicContact CZ2-CB 4.43Å; W53-V115 HydrophobicContact CZ2-CG2 4.09Å; W53-Y546 VanDerWaalsContact CB-CB 3.47Å; W53-Y546 HydrophobicContact CB-CD1 3.61Å; W53-Y546 HydrophobicContact CB-CG 3.6Å; W53-Y546 AromaticContact CD1-CD1 3.13Å; W53-Y546 AromaticContact CD1-CE1 3.2Å; W53-Y546 AromaticContact CD1-CG 3.74Å; W53-Y546 AromaticContact CD1-CZ 3.85Å; W53-Y546 AromaticContact CG-CD1 3.52Å; W53-Y546 HydrophobicContact CG-CD1 3.52Å; W53-Y546 HydrophobicContact CG-CE1 4.04Å; W53-Y546 AromaticContact CG-CG 3.99Å; W53-Y546 HydrophobicContact CG-CG 3.99Å; W53-Y546 AromaticContact NE1-CD1 3.92Å; W53-Y546 AromaticContact NE1-CE1 3.63Å; W53-L547 CarbonylContact C-O 3.48Å; W53-L547 WeakPolarHBondContact CA-O 3.49Å
54	V	92.3	Very high	82.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.7	-179.5	-63.6	0	0	0	0	111.7	I51 A83 F84 L547 A550 V578	I51-V54 HydrophobicContact CG2-CG1 3.72Å; V54-A83 CarbonylContact C-O 3.48Å; V54-A83 VanDerWaalsContact CA-O 3.3Å; V54-A83 WeakPolarHBondContact CA-O 3.49Å; V54-F84 HydrophobicContact CG1-CD1 3.56Å; V54-F84 HydrophobicContact CG1-CE1 3.76Å; V54-F84 HydrophobicContact CG1-CG 4.27Å; V54-L547 PolarHBondContact N-O 3.49Å; V54-L547 WeakPolarHBondContact O-CB 3.32Å; V54-A550 HydrophobicContact CG2-CB 4.37Å; V54-V578 HydrophobicContact CB-CG1 4.07Å; V54-V578 HydrophobicContact CB-CG2 4.35Å; V54-V578 HydrophobicContact CG1-CG2 4.32Å; V54-V578 HydrophobicContact CG2-CG1 3.98Å; V54-V578 WeakPolarHBondContact CG2-O 3.3Å
55	S	93	Very high	84.9	Confident	12 Å²	12	53 Å²	53	8%	0.084	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	155.4	173.8	64.5	0	0	0	0	111.6	E57 M82 A83	S55-E57 PolarHBondContact OG-OE1 3.35Å; S55-M82 CarbonylContact O-C 3.59Å; S55-M82 VanDerWaalsContact O-CA 3.3Å; S55-M82 WeakPolarHBondContact O-CA 3.38Å; S55-A83 PolarHBondContact N-O 2.84Å; S55-A83 PolarHBondContact O-N 3.19Å
56	F	95.6	Very high	87	Confident	40 Å²	40	50.3 Å²	50.3	18%	0.175	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.8	161.4	-72.4	-75.9	0	0	0	108.7	I81 M82 A550 T552 V578 L584	F56-I81 WeakPolarHBondContact CA-O 3.33Å; F56-M82 HydrophobicContact CD1-CG 3.7Å; F56-M82 HydrophobicContact CE1-CG 3.53Å; F56-M82 HydrophobicContact CE1-SD 4.08Å; F56-M82 HydrophobicContact CZ-CG 4.46Å; F56-A550 HydrophobicContact CD2-CB 3.77Å; F56-A550 HydrophobicContact CE2-CB 4.04Å; F56-T552 HydrophobicContact CD1-CG2 3.71Å; F56-T552 HydrophobicContact CD2-CG2 3.85Å; F56-T552 HydrophobicContact CE1-CG2 3.66Å; F56-T552 HydrophobicContact CE2-CG2 3.82Å; F56-T552 HydrophobicContact CG-CG2 3.81Å; F56-T552 HydrophobicContact CZ-CG2 3.73Å; F56-V578 HydrophobicContact CD2-CG1 4.36Å; F56-V578 HydrophobicContact CE2-CG1 3.72Å; F56-V578 HydrophobicContact CZ-CB 4.26Å; F56-V578 HydrophobicContact CZ-CG1 3.81Å; F56-L584 HydrophobicContact CE1-CD1 4.31Å; F56-L584 HydrophobicContact CZ-CD1 4.07Å
57	E	94.4	Very high	88.7	Confident	11 Å²	11	45.2 Å²	45.2	5%	0.051	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144.2	-179.2	-69.4	-55.2	130.9	0	0	111.7	S55 N62 I81 A83 K116	S55-E57 PolarHBondContact OG-OE1 3.35Å; E57-N62 PolarHBondContact O-ND2 2.74Å; E57-I81 HydrophobicContact CB-CB 4.32Å; E57-I81 HydrophobicContact CB-CG2 4.07Å; E57-I81 PolarHBondContact N-O 3.21Å; E57-A83 HydrophobicContact CG-CB 3.96Å; E57-K116 IonicContact OE1-NZ 3.46Å; E57-K116 WeakPolarHBondContact OE2-CG 3.44Å; E57-K116 IonicContact OE2-NZ 3.48Å; E57-K116 PolarHBondContact OE2-NZ 2.88Å
58	K	92.4	Very high	89.6	Confident	154 Å²	154	43.1 Å²	43.1	67%	0.67	22%	0.221	S	C	*	.			trans	-107.2	123.9	169.8	-65.7	-175.9	179.6	-177	0	108.3	N62	K58-N62 WeakPolarHBondContact CA-OD1 3.23Å
59	C	93.3	Very high	90	Very high	13 Å²	13	43.4 Å²	43.4	9%	0.088	22%	0.216	C	C	.	.			trans	-147.1	178.7	179.7	67.1	0	0	0	0	109.8	M61 N62 D63 L117	C59-M61 PolarHBondContact O-N 3.17Å; C59-M61 VanDerWaalsContact O-N 3.15Å; C59-N62 PolarHBondContact N-OD1 2.86Å; C59-N62 PolarHBondContact O-N 3.46Å; C59-N62 PolarHBondContact O-OD1 3.36Å; C59-D63 PolarHBondContact O-N 2.81Å; C59-L117 HydrophobicContact CB-CB 3.78Å; C59-L117 HydrophobicContact CB-CD1 4.25Å
60	D	92.2	Very high	90.3	Very high	11 Å²	11	42.5 Å²	42.5	6%	0.059	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-59.4	-31	-178.3	-60.3	-40	0	0	0	113	N62 D63 Y66 S120 L646	D60-N62 VanDerWaalsContact C-N 3.27Å; D60-N62 PolarHBondContact O-N 3.3Å; D60-D63 PolarHBondContact O-N 2.96Å; D60-Y66 HydrophobicContact CB-CD2 4.34Å; D60-Y66 HydrophobicContact CB-CE2 4.08Å; D60-Y66 WeakPolarHBondContact O-CD2 3.3Å; D60-S120 VanDerWaalsContact CG-N 3.28Å; D60-S120 PolarHBondContact OD1-N 2.82Å; D60-S120 WeakPolarHBondContact OD2-CB 3.37Å; D60-S120 PolarHBondContact OD2-N 2.75Å; D60-S120 PolarHBondContact OD2-OG 3.03Å; D60-L646 HydrophobicContact CB-CD1 3.57Å
61	M	91	Very high	90.3	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.03	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-67.9	-27.6	-177.3	-168.7	162.2	73.6	0	0	113.1	C59 Y74 P79 I81 A94 L104 L638 I639 V642	C59-M61 PolarHBondContact O-N 3.17Å; C59-M61 VanDerWaalsContact O-N 3.15Å; M61-Y74 HydrophobicContact CG-CD1 4.47Å; M61-Y74 WeakPolarHBondContact O-CE1 3.37Å; M61-P79 HydrophobicContact CE-CG 4.3Å; M61-P79 HydrophobicContact CG-CG 3.77Å; M61-P79 WeakPolarHBondContact O-CD 3.18Å; M61-I81 HydrophobicContact CE-CD1 3.23Å; M61-I81 HydrophobicContact CE-CG1 4.33Å; M61-A94 HydrophobicContact CE-CB 4.14Å; M61-L104 HydrophobicContact CE-CD1 3.68Å; M61-L104 HydrophobicContact CE-CD2 4.36Å; M61-L638 HydrophobicContact CE-CD2 4.12Å; M61-L638 HydrophobicContact SD-CD2 3.71Å; M61-L638 HydrophobicContact SD-CG 3.73Å; M61-I639 HydrophobicContact CE-CG1 4.49Å; M61-V642 HydrophobicContact CB-CG1 4.17Å; M61-V642 HydrophobicContact CG-CG1 4.37Å; M61-V642 HydrophobicContact CG-CG2 4.03Å; M61-V642 HydrophobicContact SD-CG2 4.05Å
62	N	93.5	Very high	90.2	Very high	27 Å²	27	45.8 Å²	45.8	14%	0.144	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-115.4	19	178.6	71.1	-12.4	0	0	0	114.2	E57 K58 C59 D60 P64 V78 P79 I81	E57-N62 PolarHBondContact O-ND2 2.74Å; K58-N62 WeakPolarHBondContact CA-OD1 3.23Å; C59-N62 PolarHBondContact N-OD1 2.86Å; C59-N62 PolarHBondContact O-N 3.46Å; C59-N62 PolarHBondContact O-OD1 3.36Å; D60-N62 VanDerWaalsContact C-N 3.27Å; D60-N62 PolarHBondContact O-N 3.3Å; N62-P64 WeakPolarHBondContact O-CD 2.98Å; N62-V78 HydrophobicContact CB-CB 4.33Å; N62-P79 WeakPolarHBondContact CB-O 3.4Å; N62-I81 HydrophobicContact CB-CG1 4.2Å
63	D	91.7	Very high	90.2	Very high	37 Å²	37	45.3 Å²	45.3	20%	0.198	23%	0.234	C	C	.	.			trans	-76.8	119.3	170.5	-172	-24.2	0	0	0	110	C59 D60 Q65 Y66 R122	C59-D63 PolarHBondContact O-N 2.81Å; D60-D63 PolarHBondContact O-N 2.96Å; D63-Q65 PolarHBondContact O-N 2.75Å; D63-Q65 VanDerWaalsContact O-N 3.08Å; D63-Q65 WeakPolarHBondContact OD1-CB 3.46Å; D63-Q65 WeakPolarHBondContact OD1-CG 3.34Å; D63-Q65 PolarHBondContact OD1-N 3.07Å; D63-Y66 HydrophobicContact CB-CD2 3.97Å; D63-Y66 PolarHBondContact O-N 3.5Å; D63-R122 IonicContact OD2-CZ 2.78Å; D63-R122 VanDerWaalsContact OD2-CZ 3.29Å; D63-R122 IonicContact OD2-NH1 2.82Å; D63-R122 PolarHBondContact OD2-NH1 3.21Å; D63-R122 IonicContact OD2-NH2 2.71Å; D63-R122 PolarHBondContact OD2-NH2 2.98Å
64	P	87.9	Confident	89.9	Confident	74 Å²	74	45.1 Å²	45.1	48%	0.481	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-55.2	-25.9	177.1	-25.6	35.2	0	0	0	114.2	N62 Y66 K67	N62-P64 WeakPolarHBondContact O-CD 2.98Å; P64-Y66 PolarHBondContact O-N 3.22Å; P64-K67 WeakPolarHBondContact O-CB 3.11Å; P64-K67 PolarHBondContact O-N 3.2Å; P64-K67 VanDerWaalsContact O-N 3.16Å
65	Q	85.3	Confident	89.6	Confident	138 Å²	138	46.3 Å²	46.3	65%	0.645	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-64.1	-25.7	177.7	-65.3	-166.6	-17.2	0	0	113.1	D63	D63-Q65 PolarHBondContact O-N 2.75Å; D63-Q65 VanDerWaalsContact O-N 3.08Å; D63-Q65 WeakPolarHBondContact OD1-CB 3.46Å; D63-Q65 WeakPolarHBondContact OD1-CG 3.34Å; D63-Q65 PolarHBondContact OD1-N 3.07Å
66	Y	89.1	Confident	89.3	Confident	21 Å²	21	49.4 Å²	49.4	8%	0.082	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-98.3	1.3	178.2	-59.8	-43.1	0	0	0	113.5	D60 D63 P64 S68 I69 L70 R122 L646	D60-Y66 HydrophobicContact CB-CD2 4.34Å; D60-Y66 HydrophobicContact CB-CE2 4.08Å; D60-Y66 WeakPolarHBondContact O-CD2 3.3Å; D63-Y66 HydrophobicContact CB-CD2 3.97Å; D63-Y66 PolarHBondContact O-N 3.5Å; P64-Y66 PolarHBondContact O-N 3.22Å; Y66-S68 PolarHBondContact O-N 2.86Å; Y66-I69 PolarHBondContact O-N 3.48Å; Y66-I69 VanDerWaalsContact O-N 3.14Å; Y66-L70 HydrophobicContact CG-CD1 4.44Å; Y66-L70 WeakPolarHBondContact O-CB 3.38Å; Y66-L70 WeakPolarHBondContact O-CG 3.3Å; Y66-L70 PolarHBondContact O-N 2.99Å; Y66-R122 VanDerWaalsContact CZ-CZ 3.48Å; Y66-R122 VanDerWaalsContact OH-CZ 3.22Å; Y66-R122 PolarHBondContact OH-NE 3.33Å; Y66-R122 PolarHBondContact OH-NH2 2.89Å; Y66-R122 VanDerWaalsContact OH-NH2 3.08Å; Y66-L646 HydrophobicContact CD1-CD2 3.52Å; Y66-L646 HydrophobicContact CD2-CD1 3.66Å; Y66-L646 HydrophobicContact CD2-CD2 3.8Å; Y66-L646 HydrophobicContact CD2-CG 4.4Å; Y66-L646 HydrophobicContact CE1-CD2 3.73Å; Y66-L646 HydrophobicContact CE2-CD1 3.56Å; Y66-L646 HydrophobicContact CE2-CD2 3.96Å; Y66-L646 HydrophobicContact CE2-CG 4.37Å; Y66-L646 HydrophobicContact CG-CD1 4.28Å; Y66-L646 HydrophobicContact CG-CD2 3.54Å
67	K	88.8	Confident	88.9	Confident	60 Å²	60	48 Å²	48	26%	0.261	26%	0.261	S	S	.	.	H	α-helix	trans	-52.4	-49.7	-179.6	-178.8	179.2	168.9	169.4	0	112.7	P64 I69 L70 S71 Y74 S76 E77 V78	P64-K67 WeakPolarHBondContact O-CB 3.11Å; P64-K67 PolarHBondContact O-N 3.2Å; P64-K67 VanDerWaalsContact O-N 3.16Å; K67-I69 VanDerWaalsContact C-N 3.29Å; K67-I69 PolarHBondContact O-N 2.77Å; K67-L70 PolarHBondContact O-N 3.49Å; K67-S71 WeakPolarHBondContact O-CA 3.2Å; K67-S71 VanDerWaalsContact O-CB 3.23Å; K67-S71 WeakPolarHBondContact O-CB 3.46Å; K67-S71 PolarHBondContact O-N 2.78Å; K67-Y74 WeakPolarHBondContact CA-OH 3.24Å; K67-S76 WeakPolarHBondContact CE-O 3.29Å; K67-S76 PolarHBondContact NZ-O 3.16Å; K67-S76 VanDerWaalsContact NZ-O 3.08Å; K67-E77 IonicContact NZ-OE2 3.3Å; K67-E77 PolarHBondContact NZ-OE2 2.84Å; K67-V78 HydrophobicContact CB-CG1 4.17Å; K67-V78 HydrophobicContact CG-CG1 4.45Å
68	S	86.5	Confident	88.9	Confident	85 Å²	85	48.6 Å²	48.6	59%	0.594	27%	0.265	S	S	*	.	H	α-helix	trans	-61.4	-39.3	-178.7	56.4	0	0	0	0	112.3	Y66 S71	Y66-S68 PolarHBondContact O-N 2.86Å; S68-S71 PolarHBondContact O-OG 2.85Å
69	I	87.2	Confident	89	Confident	52 Å²	52	41.3 Å²	41.3	27%	0.267	23%	0.234	S	C	.	.	H	α-helix	trans	-75.6	-44.5	-177.6	-66.8	168.7	0	0	0	111.3	Y66 K67 H72 I649	Y66-I69 PolarHBondContact O-N 3.48Å; Y66-I69 VanDerWaalsContact O-N 3.14Å; K67-I69 VanDerWaalsContact C-N 3.29Å; K67-I69 PolarHBondContact O-N 2.77Å; I69-H72 PolarHBondContact O-CE1 3.24Å; I69-H72 PolarHBondContact O-ND1 2.92Å; I69-I649 HydrophobicContact CD1-CD1 4.32Å; I69-I649 HydrophobicContact CG2-CD1 3.24Å
70	L	89.5	Confident	89.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-94.6	-0.4	-171.8	-58.4	173.9	0	0	0	113.2	Y66 K67 H72 I73 Y74 V642 T645 L646	Y66-L70 HydrophobicContact CG-CD1 4.44Å; Y66-L70 WeakPolarHBondContact O-CB 3.38Å; Y66-L70 WeakPolarHBondContact O-CG 3.3Å; Y66-L70 PolarHBondContact O-N 2.99Å; K67-L70 PolarHBondContact O-N 3.49Å; L70-H72 PolarHBondContact O-N 2.89Å; L70-H72 VanDerWaalsContact O-N 3.16Å; L70-I73 HydrophobicContact CD2-CD1 3.7Å; L70-I73 WeakPolarHBondContact O-CB 3.41Å; L70-I73 PolarHBondContact O-N 2.81Å; L70-Y74 HydrophobicContact CB-CD1 4.07Å; L70-Y74 HydrophobicContact CB-CE1 3.25Å; L70-Y74 HydrophobicContact CD1-CE1 3.88Å; L70-Y74 HydrophobicContact CG-CE1 4.22Å; L70-Y74 PolarHBondContact O-N 2.96Å; L70-V642 HydrophobicContact CD1-CG1 3.71Å; L70-V642 HydrophobicContact CD2-CG1 4.23Å; L70-T645 HydrophobicContact CD2-CG2 4.18Å; L70-L646 HydrophobicContact CD1-CD1 4.29Å; L70-L646 HydrophobicContact CD1-CD2 4.23Å; L70-L646 HydrophobicContact CD1-CG 4.39Å; L70-L646 HydrophobicContact CD2-CD2 4.16Å; L70-L646 HydrophobicContact CD2-CG 4.23Å; L70-L646 HydrophobicContact CG-CD2 4.31Å
71	S	87.3	Confident	89.3	Confident	48 Å²	48	40.9 Å²	40.9	34%	0.336	23%	0.23	S	C	.	.	H	α-helix	trans	-54.7	-33.3	178.8	57	0	0	0	0	113.7	K67 S68 I73 G75	K67-S71 WeakPolarHBondContact O-CA 3.2Å; K67-S71 VanDerWaalsContact O-CB 3.23Å; K67-S71 WeakPolarHBondContact O-CB 3.46Å; K67-S71 PolarHBondContact O-N 2.78Å; S68-S71 PolarHBondContact O-OG 2.85Å; S71-I73 PolarHBondContact O-N 2.57Å; S71-G75 WeakPolarHBondContact CA-O 3.18Å; S71-G75 CarbonylContact O-C 3.57Å; S71-G75 WeakPolarHBondContact O-CA 3.28Å; S71-G75 PolarHBondContact O-N 3.14Å
72	H	87.3	Confident	89.6	Confident	135 Å²	135	40.6 Å²	40.6	63%	0.625	23%	0.229	S	C	*	.	H	α-helix	trans	-67.6	-15.7	175.5	70.6	-80.7	0	0	0	114	I69 L70	I69-H72 PolarHBondContact O-CE1 3.24Å; I69-H72 PolarHBondContact O-ND1 2.92Å; L70-H72 PolarHBondContact O-N 2.89Å; L70-H72 VanDerWaalsContact O-N 3.16Å
73	I	86.6	Confident	89.7	Confident	14 Å²	14	39.3 Å²	39.3	7%	0.072	22%	0.222	C	C	.	.	H	α-helix	trans	-94.1	-48	-179.2	-60.6	168.7	0	0	0	110.9	L70 S71 L638 I641 V642	L70-I73 HydrophobicContact CD2-CD1 3.7Å; L70-I73 WeakPolarHBondContact O-CB 3.41Å; L70-I73 PolarHBondContact O-N 2.81Å; S71-I73 PolarHBondContact O-N 2.57Å; I73-L638 HydrophobicContact CG2-CD1 3.45Å; I73-L638 VanDerWaalsContact CG2-CD1 3.45Å; I73-I641 HydrophobicContact CD1-CG2 3.98Å; I73-I641 HydrophobicContact CG1-CG2 4.44Å; I73-V642 HydrophobicContact CD1-CG2 4.23Å; I73-V642 HydrophobicContact CG2-CG2 4.25Å
74	Y	84.1	Confident	89.8	Confident	10 Å²	10	37.6 Å²	37.6	4%	0.039	21%	0.213	C	C	.	.	H	α-helix	trans	-118.9	1.3	-171.7	54.8	-120.8	0	0	0	114.9	M61 K67 L70 E77 V78 P79 M96 F97	M61-Y74 HydrophobicContact CG-CD1 4.47Å; M61-Y74 WeakPolarHBondContact O-CE1 3.37Å; K67-Y74 WeakPolarHBondContact CA-OH 3.24Å; L70-Y74 HydrophobicContact CB-CD1 4.07Å; L70-Y74 HydrophobicContact CB-CE1 3.25Å; L70-Y74 HydrophobicContact CD1-CE1 3.88Å; L70-Y74 HydrophobicContact CG-CE1 4.22Å; L70-Y74 PolarHBondContact O-N 2.96Å; Y74-E77 WeakPolarHBondContact CD2-O 3.44Å; Y74-E77 WeakPolarHBondContact CE2-O 3.4Å; Y74-V78 HydrophobicContact CE2-CG1 4.48Å; Y74-P79 HydrophobicContact CD1-CG 4.41Å; Y74-M96 VanDerWaalsContact CB-CE 3.45Å; Y74-F97 WeakPolarHBondContact O-CB 3.27Å
75	G	85.3	Confident	90	Very high	24 Å²	24	34.1 Å²	34.1	25%	0.247	19%	0.19	C	C	.	.			trans	95.8	-161.3	179.3	0	0	0	0	0	114.3	S71 E77	S71-G75 WeakPolarHBondContact CA-O 3.18Å; S71-G75 CarbonylContact O-C 3.57Å; S71-G75 WeakPolarHBondContact O-CA 3.28Å; S71-G75 PolarHBondContact O-N 3.14Å; G75-E77 VanDerWaalsContact C-N 3.31Å; G75-E77 PolarHBondContact O-N 3.3Å
76	S	85.7	Confident	90.3	Very high	77 Å²	77	27.5 Å²	27.5	54%	0.538	16%	0.16	S	C	.	.	S	Bend	trans	-79.7	-4.2	-166.4	-59.7	0	0	0	0	115.1	K67	K67-S76 WeakPolarHBondContact CE-O 3.29Å; K67-S76 PolarHBondContact NZ-O 3.16Å; K67-S76 VanDerWaalsContact NZ-O 3.08Å
77	E	88.1	Confident	90.2	Very high	12 Å²	12	29 Å²	29	6%	0.056	17%	0.173	C	C	.	.	S	Bend	trans	-137.5	152.5	176.5	-56.3	-79	-153.7	0	0	110.5	K67 Y74 G75 F97 S555 H571	K67-E77 IonicContact NZ-OE2 3.3Å; K67-E77 PolarHBondContact NZ-OE2 2.84Å; Y74-E77 WeakPolarHBondContact CD2-O 3.44Å; Y74-E77 WeakPolarHBondContact CE2-O 3.4Å; G75-E77 VanDerWaalsContact C-N 3.31Å; G75-E77 PolarHBondContact O-N 3.3Å; E77-F97 HydrophobicContact CB-CD2 3.63Å; E77-F97 HydrophobicContact CB-CE2 4.33Å; E77-F97 HydrophobicContact CG-CD2 3.43Å; E77-F97 VanDerWaalsContact CG-CD2 3.43Å; E77-F97 HydrophobicContact CG-CE2 3.62Å; E77-S555 WeakPolarHBondContact OE1-CB 3.45Å; E77-S555 PolarHBondContact OE1-OG 3.42Å; E77-H571 IonicContact OE1-CE1 2.76Å; E77-H571 PolarHBondContact OE1-CE1 3.32Å; E77-H571 IonicContact OE1-CG 2.67Å; E77-H571 IonicContact OE1-ND1 4Å; E77-H571 PolarHBondContact OE1-ND1 2.81Å; E77-H571 IonicContact OE2-CE1 3.22Å; E77-H571 IonicContact OE2-ND1 2.82Å
78	V	93.2	Very high	90.1	Very high	22 Å²	22	29.2 Å²	29.2	13%	0.133	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-62.8	142.3	174.1	-67.2	0	0	0	0	111.1	N62 K67 Y74 R557	N62-V78 HydrophobicContact CB-CB 4.33Å; K67-V78 HydrophobicContact CB-CG1 4.17Å; K67-V78 HydrophobicContact CG-CG1 4.45Å; Y74-V78 HydrophobicContact CE2-CG1 4.48Å; V78-R557 PolarHBondContact O-NH2 3.25Å
79	P	95.2	Very high	90.3	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.013	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-72.5	155	176.8	28.6	-33.7	0	0	0	112.5	M61 N62 Y74 I81 A94 C95 M96	M61-P79 HydrophobicContact CE-CG 4.3Å; M61-P79 HydrophobicContact CG-CG 3.77Å; M61-P79 WeakPolarHBondContact O-CD 3.18Å; N62-P79 WeakPolarHBondContact CB-O 3.4Å; Y74-P79 HydrophobicContact CD1-CG 4.41Å; P79-I81 HydrophobicContact CB-CD1 4.23Å; P79-I81 HydrophobicContact CG-CD1 4.18Å; P79-A94 HydrophobicContact CB-CB 4.45Å; P79-C95 CarbonylContact C-O 3.54Å; P79-C95 VanDerWaalsContact CA-O 3.29Å; P79-C95 WeakPolarHBondContact CA-O 3.44Å; P79-M96 HydrophobicContact CB-SD 3.97Å
80	L	96.2	Very high	90.7	Very high	13 Å²	13	23.1 Å²	23.1	7%	0.068	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.3	168.8	-74.6	171.9	0	0	0	110.2	A94 C95 T552 A554 R557 Y576	L80-A94 CarbonylContact O-C 3.6Å; L80-A94 VanDerWaalsContact O-CA 3.25Å; L80-A94 WeakPolarHBondContact O-CA 3.28Å; L80-C95 HydrophobicContact CB-CB 4.08Å; L80-C95 PolarHBondContact N-O 2.75Å; L80-C95 PolarHBondContact O-N 3.49Å; L80-T552 HydrophobicContact CD2-CG2 3.77Å; L80-A554 HydrophobicContact CD1-CB 4.2Å; L80-A554 HydrophobicContact CD2-CB 3.6Å; L80-A554 HydrophobicContact CG-CB 4.08Å; L80-R557 VanDerWaalsContact CD1-NH1 3.27Å; L80-Y576 HydrophobicContact CD1-CD1 3.85Å; L80-Y576 HydrophobicContact CD1-CD2 3.6Å; L80-Y576 HydrophobicContact CD1-CE1 3.87Å; L80-Y576 HydrophobicContact CD1-CE2 3.63Å; L80-Y576 HydrophobicContact CD1-CG 3.69Å
81	I	96.6	Very high	90.9	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.5	179.6	-46.8	-55.8	0	0	0	109.7	F56 E57 M61 N62 P79 W93 A94 L104 L117	F56-I81 WeakPolarHBondContact CA-O 3.33Å; E57-I81 HydrophobicContact CB-CB 4.32Å; E57-I81 HydrophobicContact CB-CG2 4.07Å; E57-I81 PolarHBondContact N-O 3.21Å; M61-I81 HydrophobicContact CE-CD1 3.23Å; M61-I81 HydrophobicContact CE-CG1 4.33Å; N62-I81 HydrophobicContact CB-CG1 4.2Å; P79-I81 HydrophobicContact CB-CD1 4.23Å; P79-I81 HydrophobicContact CG-CD1 4.18Å; I81-W93 WeakPolarHBondContact CA-O 3.44Å; I81-A94 HydrophobicContact CD1-CB 3.73Å; I81-L104 HydrophobicContact CD1-CD1 4.29Å; I81-L117 HydrophobicContact CG2-CD1 4.23Å
82	M	96.3	Very high	91.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.5	-178.9	-60.8	165.1	-75	0	0	110.1	S55 F56 F84 L92 W93 C95 L584 L620	S55-M82 CarbonylContact O-C 3.59Å; S55-M82 VanDerWaalsContact O-CA 3.3Å; S55-M82 WeakPolarHBondContact O-CA 3.38Å; F56-M82 HydrophobicContact CD1-CG 3.7Å; F56-M82 HydrophobicContact CE1-CG 3.53Å; F56-M82 HydrophobicContact CE1-SD 4.08Å; F56-M82 HydrophobicContact CZ-CG 4.46Å; M82-F84 HydrophobicContact CB-CD2 4.38Å; M82-F84 HydrophobicContact CB-CE2 3.7Å; M82-L92 CarbonylContact O-C 3.52Å; M82-L92 WeakPolarHBondContact O-CA 3.18Å; M82-W93 HydrophobicContact CB-CB 4.38Å; M82-W93 HydrophobicContact CE-CB 3.82Å; M82-W93 PolarHBondContact N-O 2.86Å; M82-W93 PolarHBondContact O-N 2.83Å; M82-C95 HydrophobicContact CE-CB 4.32Å; M82-L584 HydrophobicContact CE-CD2 3.89Å; M82-L584 HydrophobicContact SD-CB 4.22Å; M82-L584 HydrophobicContact SD-CD1 3.76Å; M82-L584 HydrophobicContact SD-CD2 3.84Å; M82-L584 HydrophobicContact SD-CG 4.15Å; M82-L620 HydrophobicContact CE-CD1 3.69Å; M82-L620 HydrophobicContact SD-CD1 4.06Å
83	A	95.4	Very high	91.8	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.008	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.5	171.9	0	0	0	0	0	110.6	W53 V54 S55 E57 Q91 L92	W53-A83 HydrophobicContact CH2-CB 4.36Å; W53-A83 HydrophobicContact CZ3-CB 4.01Å; V54-A83 CarbonylContact C-O 3.48Å; V54-A83 VanDerWaalsContact CA-O 3.3Å; V54-A83 WeakPolarHBondContact CA-O 3.49Å; S55-A83 PolarHBondContact N-O 2.84Å; S55-A83 PolarHBondContact O-N 3.19Å; E57-A83 HydrophobicContact CG-CB 3.96Å; A83-Q91 WeakPolarHBondContact CA-O 3.19Å; A83-L92 HydrophobicContact CB-CD2 3.46Å; A83-L92 VanDerWaalsContact CB-CD2 3.46Å
84	F	94.5	Very high	92.2	Very high	1 Å²	1	13.7 Å²	13.7	0%	0.004	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	114.7	179	-67	-106.6	0	0	0	108.5	I51 V54 M82 L86 F90 Q91 W93 V578 L620	I51-F84 HydrophobicContact CD1-CD1 3.84Å; I51-F84 HydrophobicContact CD1-CE1 4.24Å; I51-F84 HydrophobicContact CG1-CD1 4.25Å; I51-F84 HydrophobicContact CG2-CD1 4.03Å; V54-F84 HydrophobicContact CG1-CD1 3.56Å; V54-F84 HydrophobicContact CG1-CE1 3.76Å; V54-F84 HydrophobicContact CG1-CG 4.27Å; M82-F84 HydrophobicContact CB-CD2 4.38Å; M82-F84 HydrophobicContact CB-CE2 3.7Å; F84-L86 HydrophobicContact CB-CD2 4.49Å; F84-F90 CarbonylContact O-C 3.47Å; F84-F90 WeakPolarHBondContact O-CA 3.25Å; F84-F90 VanDerWaalsContact O-CB 3.25Å; F84-F90 WeakPolarHBondContact O-CB 3.4Å; F84-Q91 HydrophobicContact CB-CB 4.3Å; F84-Q91 PolarHBondContact N-O 2.87Å; F84-Q91 PolarHBondContact O-N 3.5Å; F84-W93 AromaticContact CD2-CD1 3.58Å; F84-W93 HydrophobicContact CE2-CB 4.45Å; F84-W93 AromaticContact CE2-CD1 3.59Å; F84-W93 HydrophobicContact CE2-CG 4.22Å; F84-V578 HydrophobicContact CE1-CG2 3.76Å; F84-V578 HydrophobicContact CZ-CG2 3.51Å; F84-L620 HydrophobicContact CE2-CD1 4.14Å; F84-L620 HydrophobicContact CZ-CB 4.12Å; F84-L620 HydrophobicContact CZ-CD1 3.86Å
85	G	92.1	Very high	92.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122	168.4	0	0	0	0	0	110.3	L52 W53	L52-G85 PolarHBondContact N-O 3.1Å; W53-G85 PolarHBondContact N-O 3.31Å; W53-G85 PolarHBondContact O-N 2.8Å
86	L	90.5	Very high	93.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	164.7	-178.5	-56.1	177.1	0	0	0	110.5	E49 R50 I51 F84 N88 G89 Q91 R622	E49-L86 WeakPolarHBondContact OE2-CD1 3.22Å; R50-L86 CarbonylContact O-C 3.54Å; R50-L86 WeakPolarHBondContact O-CA 3.5Å; I51-L86 HydrophobicContact CB-CD2 4.27Å; I51-L86 HydrophobicContact CG1-CD2 3.54Å; F84-L86 HydrophobicContact CB-CD2 4.49Å; L86-N88 PolarHBondContact O-N 2.79Å; L86-N88 VanDerWaalsContact O-N 3.13Å; L86-G89 WeakPolarHBondContact CA-O 3.29Å; L86-G89 WeakPolarHBondContact CB-O 3.36Å; L86-G89 PolarHBondContact N-O 2.98Å; L86-Q91 HydrophobicContact CD1-CG 4.02Å; L86-R622 HydrophobicContact CD1-CB 4.36Å
87	S	86.8	Confident	93.3	Very high	52 Å²	52	12.3 Å²	12.3	36%	0.364	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.2	171.1	58.5	0	0	0	0	113.5	R50 P111	R50-S87 PolarHBondContact O-N 2.96Å; S87-P111 WeakPolarHBondContact O-CD 3.4Å; S87-P111 WeakPolarHBondContact O-CG 3.43Å
88	N	88	Confident	93.3	Very high	65 Å²	65	15.7 Å²	15.7	35%	0.348	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.4	66.2	179.1	-172.1	32.3	0	0	0	111.5	L86 D109	L86-N88 PolarHBondContact O-N 2.79Å; L86-N88 VanDerWaalsContact O-N 3.13Å; N88-D109 PolarHBondContact OD1-O 2.9Å
89	G	91.5	Very high	93.2	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.01	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	109.9	-145.6	179.5	0	0	0	0	0	112.9	L86 I107 Q110	L86-G89 WeakPolarHBondContact CA-O 3.29Å; L86-G89 WeakPolarHBondContact CB-O 3.36Å; L86-G89 PolarHBondContact N-O 2.98Å; G89-I107 WeakPolarHBondContact CA-O 3.46Å; G89-Q110 WeakPolarHBondContact CA-O 3.26Å; G89-Q110 PolarHBondContact N-O 3.42Å; G89-Q110 VanDerWaalsContact N-O 3.09Å
90	F	94.4	Very high	93	Very high	7 Å²	7	15.4 Å²	15.4	3%	0.031	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	166.3	-176.6	62.1	-87.3	0	0	0	112.9	F84 L105 S106 I107 V112 V115 L140 V142	F84-F90 CarbonylContact O-C 3.47Å; F84-F90 WeakPolarHBondContact O-CA 3.25Å; F84-F90 VanDerWaalsContact O-CB 3.25Å; F84-F90 WeakPolarHBondContact O-CB 3.4Å; F90-L105 HydrophobicContact CE2-CD2 3.7Å; F90-L105 HydrophobicContact CE2-CG 4.45Å; F90-L105 HydrophobicContact CZ-CD2 4.24Å; F90-S106 WeakPolarHBondContact O-CA 3.31Å; F90-I107 HydrophobicContact CD1-CB 4.44Å; F90-I107 HydrophobicContact CE1-CB 4Å; F90-I107 HydrophobicContact CE1-CD1 4.01Å; F90-I107 HydrophobicContact CE1-CG1 4.23Å; F90-I107 HydrophobicContact CE2-CD1 4.33Å; F90-I107 HydrophobicContact CE2-CG1 4.39Å; F90-I107 HydrophobicContact CZ-CB 4.2Å; F90-I107 HydrophobicContact CZ-CD1 3.54Å; F90-I107 HydrophobicContact CZ-CG1 3.91Å; F90-I107 PolarHBondContact N-O 3.28Å; F90-I107 PolarHBondContact O-N 2.97Å; F90-I107 VanDerWaalsContact O-N 3.1Å; F90-V112 HydrophobicContact CB-CG2 3.74Å; F90-V112 HydrophobicContact CD1-CG1 3.94Å; F90-V112 HydrophobicContact CD1-CG2 3.8Å; F90-V112 HydrophobicContact CE1-CG1 4.35Å; F90-V112 HydrophobicContact CG-CG2 4.11Å; F90-V115 HydrophobicContact CB-CG2 3.95Å; F90-V115 HydrophobicContact CD1-CG2 3.79Å; F90-V115 HydrophobicContact CD2-CB 4.29Å; F90-V115 HydrophobicContact CD2-CG1 3.76Å; F90-V115 HydrophobicContact CD2-CG2 3.72Å; F90-V115 HydrophobicContact CE1-CG2 4.15Å; F90-V115 HydrophobicContact CE2-CG1 3.64Å; F90-V115 HydrophobicContact CE2-CG2 4.07Å; F90-V115 HydrophobicContact CG-CG1 4.46Å; F90-V115 HydrophobicContact CG-CG2 3.55Å; F90-V115 HydrophobicContact CZ-CG1 4.27Å; F90-V115 HydrophobicContact CZ-CG2 4.28Å; F90-L140 HydrophobicContact CE2-CD2 3.87Å; F90-L140 HydrophobicContact CZ-CD2 3.68Å; F90-V142 HydrophobicContact CE1-CG1 4.32Å; F90-V142 HydrophobicContact CE1-CG2 4.43Å; F90-V142 HydrophobicContact CZ-CG2 4.18Å
91	Q	94.1	Very high	93	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.4	173.5	-74.3	175.4	-48.5	0	0	112	A83 F84 L86 E103 L105 S106 R622	A83-Q91 WeakPolarHBondContact CA-O 3.19Å; F84-Q91 HydrophobicContact CB-CB 4.3Å; F84-Q91 PolarHBondContact N-O 2.87Å; F84-Q91 PolarHBondContact O-N 3.5Å; L86-Q91 HydrophobicContact CD1-CG 4.02Å; Q91-E103 PolarHBondContact NE2-OE1 3.41Å; Q91-L105 CarbonylContact C-O 3.52Å; Q91-L105 VanDerWaalsContact CA-O 3.26Å; Q91-L105 WeakPolarHBondContact CA-O 2.91Å; Q91-S106 WeakPolarHBondContact CG-OG 3.43Å; Q91-R622 VanDerWaalsContact NE2-CD 3.3Å; Q91-R622 VanDerWaalsContact NE2-CG 3.33Å
92	L	96	Very high	92.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.1	166.7	-61.3	179.9	0	0	0	109.7	M82 A83 L104 L105 V115 L117 L140	M82-L92 CarbonylContact O-C 3.52Å; M82-L92 WeakPolarHBondContact O-CA 3.18Å; A83-L92 HydrophobicContact CB-CD2 3.46Å; A83-L92 VanDerWaalsContact CB-CD2 3.46Å; L92-L104 HydrophobicContact CB-CB 4.2Å; L92-L104 PolarHBondContact O-N 3.3Å; L92-L105 HydrophobicContact CB-CB 3.94Å; L92-L105 HydrophobicContact CD1-CB 3.98Å; L92-L105 HydrophobicContact CD1-CD2 3.85Å; L92-L105 HydrophobicContact CG-CB 4.08Å; L92-L105 HydrophobicContact CG-CD2 4.43Å; L92-L105 PolarHBondContact N-O 3.44Å; L92-L105 PolarHBondContact O-N 2.9Å; L92-V115 HydrophobicContact CD2-CG1 4.16Å; L92-L117 HydrophobicContact CD1-CD1 4.02Å; L92-L117 HydrophobicContact CD1-CD2 4.16Å; L92-L117 HydrophobicContact CD1-CG 3.99Å; L92-L140 HydrophobicContact CD1-CD1 4.04Å
93	W	96.4	Very high	92.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.3	179.9	-72.9	87.3	0	0	0	110.4	R13 V15 I81 M82 F84 C101 V102 E103 L620	R13-W93 HydrophobicContact CB-CH2 4.03Å; R13-W93 HydrophobicContact CG-CH2 4.39Å; R13-W93 VanDerWaalsContact NE-CH2 3.34Å; R13-W93 VanDerWaalsContact NH2-CH2 3.29Å; R13-W93 VanDerWaalsContact O-CZ3 3.24Å; R13-W93 WeakPolarHBondContact O-CZ3 3.4Å; V15-W93 HydrophobicContact CG2-CH2 4Å; V15-W93 HydrophobicContact CG2-CZ3 3.97Å; I81-W93 WeakPolarHBondContact CA-O 3.44Å; M82-W93 HydrophobicContact CB-CB 4.38Å; M82-W93 HydrophobicContact CE-CB 3.82Å; M82-W93 PolarHBondContact N-O 2.86Å; M82-W93 PolarHBondContact O-N 2.83Å; F84-W93 AromaticContact CD2-CD1 3.58Å; F84-W93 HydrophobicContact CE2-CB 4.45Å; F84-W93 AromaticContact CE2-CD1 3.59Å; F84-W93 HydrophobicContact CE2-CG 4.22Å; W93-C101 HydrophobicContact CE3-CB 4.15Å; W93-C101 HydrophobicContact CZ3-CB 4.47Å; W93-V102 CarbonylContact C-O 3.54Å; W93-V102 WeakPolarHBondContact CA-O 3.35Å; W93-V102 VanDerWaalsContact CE3-C 3.44Å; W93-E103 HydrophobicContact CD2-CB 4.29Å; W93-E103 HydrophobicContact CE3-CB 4.12Å; W93-E103 HydrophobicContact CH2-CB 3.68Å; W93-E103 HydrophobicContact CH2-CG 4.37Å; W93-E103 HydrophobicContact CZ2-CB 3.89Å; W93-E103 HydrophobicContact CZ2-CG 4.09Å; W93-E103 HydrophobicContact CZ3-CB 3.84Å; W93-L620 HydrophobicContact CB-CD1 4.45Å; W93-L620 HydrophobicContact CD2-CB 4.44Å; W93-L620 HydrophobicContact CD2-CD1 4.32Å; W93-L620 HydrophobicContact CD2-CD2 4.12Å; W93-L620 HydrophobicContact CE3-CD2 3.84Å; W93-L620 HydrophobicContact CG-CD1 4.22Å; W93-L620 HydrophobicContact CH2-CD2 4.43Å; W93-L620 HydrophobicContact CZ3-CD2 3.99Å
94	A	95.7	Very high	92.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.2	165.5	0	0	0	0	0	110.4	M61 P79 L80 I81 M96 C101 V102 L104	M61-A94 HydrophobicContact CE-CB 4.14Å; P79-A94 HydrophobicContact CB-CB 4.45Å; L80-A94 CarbonylContact O-C 3.6Å; L80-A94 VanDerWaalsContact O-CA 3.25Å; L80-A94 WeakPolarHBondContact O-CA 3.28Å; I81-A94 HydrophobicContact CD1-CB 3.73Å; A94-M96 HydrophobicContact CB-SD 3.87Å; A94-C101 CarbonylContact O-C 3.52Å; A94-C101 VanDerWaalsContact O-CA 3.3Å; A94-C101 WeakPolarHBondContact O-CA 3.26Å; A94-V102 HydrophobicContact CB-CG2 3.87Å; A94-V102 PolarHBondContact N-O 2.83Å; A94-V102 PolarHBondContact O-N 2.95Å; A94-L104 HydrophobicContact CB-CD1 3.78Å; A94-L104 HydrophobicContact CB-CD2 4.01Å; A94-L104 HydrophobicContact CB-CG 3.97Å
95	C	95.6	Very high	92.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	110.3	163.8	-170.8	0	0	0	0	108.9	P79 L80 M82 C101 R557 L584	P79-C95 CarbonylContact C-O 3.54Å; P79-C95 VanDerWaalsContact CA-O 3.29Å; P79-C95 WeakPolarHBondContact CA-O 3.44Å; L80-C95 HydrophobicContact CB-CB 4.08Å; L80-C95 PolarHBondContact N-O 2.75Å; L80-C95 PolarHBondContact O-N 3.49Å; M82-C95 HydrophobicContact CE-CB 4.32Å; C95-C101 VanDerWaalsContact CB-SG 3.56Å; C95-R557 PolarHBondContact O-NE 3Å; C95-R557 WeakPolarHBondContact SG-CD 3.5Å; C95-L584 HydrophobicContact CB-CD2 4.21Å
96	M	93.2	Very high	92.8	Very high	22 Å²	22	15.3 Å²	15.3	11%	0.108	8%	0.083	C	C	.	.			trans	-80.1	165.9	-172.6	-58.4	-58.3	-72.3	0	0	111.5	Y74 P79 A94 N98 G99 D100 V102 R557 L638	Y74-M96 VanDerWaalsContact CB-CE 3.45Å; P79-M96 HydrophobicContact CB-SD 3.97Å; A94-M96 HydrophobicContact CB-SD 3.87Å; M96-N98 VanDerWaalsContact CB-OD1 3.23Å; M96-N98 WeakPolarHBondContact CB-OD1 3.22Å; M96-N98 PolarHBondContact O-N 2.83Å; M96-G99 PolarHBondContact O-N 3.22Å; M96-D100 WeakPolarHBondContact CB-O 3.31Å; M96-D100 PolarHBondContact N-O 2.88Å; M96-V102 HydrophobicContact CG-CG1 4.42Å; M96-V102 HydrophobicContact CG-CG2 3.93Å; M96-V102 HydrophobicContact SD-CG2 4.1Å; M96-R557 WeakPolarHBondContact O-CD 3.35Å; M96-L638 HydrophobicContact CE-CD2 3.76Å; M96-L638 HydrophobicContact SD-CD2 3.86Å
97	F	89.2	Confident	92.9	Very high	60 Å²	60	16.5 Å²	16.5	26%	0.263	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-35.2	-180	168.7	-98.3	0	0	0	113.4	Y74 E77 G99	Y74-F97 WeakPolarHBondContact O-CB 3.27Å; E77-F97 HydrophobicContact CB-CD2 3.63Å; E77-F97 HydrophobicContact CB-CE2 4.33Å; E77-F97 HydrophobicContact CG-CD2 3.43Å; E77-F97 VanDerWaalsContact CG-CD2 3.43Å; E77-F97 HydrophobicContact CG-CE2 3.62Å; F97-G99 PolarHBondContact O-N 2.97Å
98	N	88.4	Confident	93.1	Very high	82 Å²	82	17.4 Å²	17.4	44%	0.439	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	1.1	178.4	71	-16.1	0	0	0	113.6	M96 D100 V561	M96-N98 VanDerWaalsContact CB-OD1 3.23Å; M96-N98 WeakPolarHBondContact CB-OD1 3.22Å; M96-N98 PolarHBondContact O-N 2.83Å; N98-D100 VanDerWaalsContact C-N 3.33Å; N98-D100 PolarHBondContact ND2-OD2 2.83Å; N98-D100 PolarHBondContact O-N 2.89Å; N98-D100 PolarHBondContact OD1-N 3.47Å; N98-D100 VanDerWaalsContact OD1-N 3.07Å; N98-V561 WeakPolarHBondContact O-CG2 3.49Å
99	G	90.5	Very high	92.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	86.3	-8.1	-179.6	0	0	0	0	0	115.5	P17 M96 F97 W618	P17-G99 WeakPolarHBondContact CD-O 3.1Å; M96-G99 PolarHBondContact O-N 3.22Å; F97-G99 PolarHBondContact O-N 2.97Å; G99-W618 PolarHBondContact O-NE1 3.45Å
100	D	92.6	Very high	92.7	Very high	19 Å²	19	23.1 Å²	23.1	10%	0.102	11%	0.112	C	C	.	.			trans	-77.1	132.7	177.6	-62	-38.5	0	0	0	110.7	E14 K16 M96 N98	E14-D100 HydrophobicContact CG-CB 4.08Å; E14-D100 WeakPolarHBondContact OE1-CB 3.46Å; E14-D100 VanDerWaalsContact OE1-CG 3.3Å; K16-D100 WeakPolarHBondContact CG-OD1 3.46Å; M96-D100 WeakPolarHBondContact CB-O 3.31Å; M96-D100 PolarHBondContact N-O 2.88Å; N98-D100 VanDerWaalsContact C-N 3.33Å; N98-D100 PolarHBondContact ND2-OD2 2.83Å; N98-D100 PolarHBondContact O-N 2.89Å; N98-D100 PolarHBondContact OD1-N 3.47Å; N98-D100 VanDerWaalsContact OD1-N 3.07Å
101	C	95.4	Very high	92.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	117.7	171	-75.7	0	0	0	0	109.6	E14 V15 W93 A94 C95 W618 L620	E14-C101 CarbonylContact C-O 3.53Å; E14-C101 WeakPolarHBondContact CA-O 3.47Å; V15-C101 HydrophobicContact CB-CB 4.27Å; V15-C101 PolarHBondContact N-O 3.43Å; V15-C101 PolarHBondContact O-N 3.34Å; W93-C101 HydrophobicContact CE3-CB 4.15Å; W93-C101 HydrophobicContact CZ3-CB 4.47Å; A94-C101 CarbonylContact O-C 3.52Å; A94-C101 VanDerWaalsContact O-CA 3.3Å; A94-C101 WeakPolarHBondContact O-CA 3.26Å; C95-C101 VanDerWaalsContact CB-SG 3.56Å; C101-W618 HydrophobicContact CB-CG 4.44Å; C101-W618 VanDerWaalsContact SG-CG 3.58Å; C101-L620 HydrophobicContact CB-CD2 3.76Å
102	V	94	Very high	92.1	Very high	12 Å²	12	24.7 Å²	24.7	7%	0.073	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.7	179.3	-61.7	0	0	0	0	111.2	C11 E14 W93 A94 M96 L104	C11-V102 HydrophobicContact CB-CB 4.07Å; C11-V102 HydrophobicContact CB-CG1 4.41Å; E14-V102 HydrophobicContact CG-CG1 4.17Å; W93-V102 CarbonylContact C-O 3.54Å; W93-V102 WeakPolarHBondContact CA-O 3.35Å; W93-V102 VanDerWaalsContact CE3-C 3.44Å; A94-V102 HydrophobicContact CB-CG2 3.87Å; A94-V102 PolarHBondContact N-O 2.83Å; A94-V102 PolarHBondContact O-N 2.95Å; M96-V102 HydrophobicContact CG-CG1 4.42Å; M96-V102 HydrophobicContact CG-CG2 3.93Å; M96-V102 HydrophobicContact SD-CG2 4.1Å; V102-L104 HydrophobicContact CG2-CD2 4.13Å; V102-L104 PolarHBondContact O-N 3.37Å
103	E	94.8	Very high	91.5	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.009	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	121.7	172.4	-172.6	174.1	-146.5	0	0	109.8	G12 R13 Q91 W93 S106 I629	G12-E103 PolarHBondContact N-O 3.48Å; R13-E103 PolarHBondContact N-OE2 3.33Å; R13-E103 PolarHBondContact O-N 2.99Å; Q91-E103 PolarHBondContact NE2-OE1 3.41Å; W93-E103 HydrophobicContact CD2-CB 4.29Å; W93-E103 HydrophobicContact CE3-CB 4.12Å; W93-E103 HydrophobicContact CH2-CB 3.68Å; W93-E103 HydrophobicContact CH2-CG 4.37Å; W93-E103 HydrophobicContact CZ2-CB 3.89Å; W93-E103 HydrophobicContact CZ2-CG 4.09Å; W93-E103 HydrophobicContact CZ3-CB 3.84Å; E103-S106 VanDerWaalsContact OE1-CB 3.22Å; E103-S106 WeakPolarHBondContact OE1-CB 3.04Å; E103-S106 PolarHBondContact OE1-OG 3.36Å; E103-I629 HydrophobicContact CG-CD1 4.3Å
104	L	94.4	Very high	91.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-32.5	-178.8	-60	176.7	0	0	0	112.9	M61 I81 L92 A94 V102 H637 L638 I639	M61-L104 HydrophobicContact CE-CD1 3.68Å; M61-L104 HydrophobicContact CE-CD2 4.36Å; I81-L104 HydrophobicContact CD1-CD1 4.29Å; L92-L104 HydrophobicContact CB-CB 4.2Å; L92-L104 PolarHBondContact O-N 3.3Å; A94-L104 HydrophobicContact CB-CD1 3.78Å; A94-L104 HydrophobicContact CB-CD2 4.01Å; A94-L104 HydrophobicContact CB-CG 3.97Å; V102-L104 HydrophobicContact CG2-CD2 4.13Å; V102-L104 PolarHBondContact O-N 3.37Å; L104-H637 PolarHBondContact O-CE1 2.87Å; L104-H637 PolarHBondContact O-NE2 2.98Å; L104-L638 HydrophobicContact CD2-CD2 4.06Å; L104-I639 HydrophobicContact CB-CD1 3.93Å; L104-I639 HydrophobicContact CD1-CD1 3.99Å; L104-I639 HydrophobicContact CD1-CG1 4.24Å; L104-I639 HydrophobicContact CD2-CG1 4.43Å; L104-I639 HydrophobicContact CG-CD1 4.44Å
105	L	94.1	Very high	90.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	140.8	-175	-164.8	72	0	0	0	109.3	F90 Q91 L92 I107 L140 L159 I629 P631 L633	F90-L105 HydrophobicContact CE2-CD2 3.7Å; F90-L105 HydrophobicContact CE2-CG 4.45Å; F90-L105 HydrophobicContact CZ-CD2 4.24Å; Q91-L105 CarbonylContact C-O 3.52Å; Q91-L105 VanDerWaalsContact CA-O 3.26Å; Q91-L105 WeakPolarHBondContact CA-O 2.91Å; L92-L105 HydrophobicContact CB-CB 3.94Å; L92-L105 HydrophobicContact CD1-CB 3.98Å; L92-L105 HydrophobicContact CD1-CD2 3.85Å; L92-L105 HydrophobicContact CG-CB 4.08Å; L92-L105 HydrophobicContact CG-CD2 4.43Å; L92-L105 PolarHBondContact N-O 3.44Å; L92-L105 PolarHBondContact O-N 2.9Å; L105-I107 HydrophobicContact CD2-CD1 4.38Å; L105-I107 HydrophobicContact CG-CG1 4.29Å; L105-L140 HydrophobicContact CD2-CD2 3.68Å; L105-L159 HydrophobicContact CD1-CD2 4.43Å; L105-L159 HydrophobicContact CD2-CD2 4.08Å; L105-I629 WeakPolarHBondContact CD1-O 3.49Å; L105-P631 HydrophobicContact CD1-CG 4.17Å; L105-L633 HydrophobicContact CD1-CD1 4.43Å; L105-L633 HydrophobicContact CD1-CD2 3.92Å
106	S	93.5	Very high	90.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	111.1	177.8	-170.7	0	0	0	0	110.1	F90 Q91 E103 R622 C628 I629	F90-S106 WeakPolarHBondContact O-CA 3.31Å; Q91-S106 WeakPolarHBondContact CG-OG 3.43Å; E103-S106 VanDerWaalsContact OE1-CB 3.22Å; E103-S106 WeakPolarHBondContact OE1-CB 3.04Å; E103-S106 PolarHBondContact OE1-OG 3.36Å; S106-R622 PolarHBondContact OG-NE 2.81Å; S106-R622 VanDerWaalsContact OG-NE 3.1Å; S106-R622 PolarHBondContact OG-NH2 3.26Å; S106-C628 CarbonylContact O-C 3.58Å; S106-C628 VanDerWaalsContact O-CA 3.28Å; S106-C628 WeakPolarHBondContact O-CA 3.44Å; S106-C628 WeakPolarHBondContact O-CB 3.4Å; S106-I629 CarbonylContact C-O 3.58Å; S106-I629 PolarHBondContact N-O 3.24Å; S106-I629 CarbonylContact O-C 3.52Å; S106-I629 PolarHBondContact O-N 3.03Å
107	I	92.9	Very high	91	Very high	25 Å²	25	28 Å²	28	13%	0.128	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.1	-176.3	-54.5	-168.2	0	0	0	109.6	G89 F90 L105 D109 E630	G89-I107 WeakPolarHBondContact CA-O 3.46Å; F90-I107 HydrophobicContact CD1-CB 4.44Å; F90-I107 HydrophobicContact CE1-CB 4Å; F90-I107 HydrophobicContact CE1-CD1 4.01Å; F90-I107 HydrophobicContact CE1-CG1 4.23Å; F90-I107 HydrophobicContact CE2-CD1 4.33Å; F90-I107 HydrophobicContact CE2-CG1 4.39Å; F90-I107 HydrophobicContact CZ-CB 4.2Å; F90-I107 HydrophobicContact CZ-CD1 3.54Å; F90-I107 HydrophobicContact CZ-CG1 3.91Å; F90-I107 PolarHBondContact N-O 3.28Å; F90-I107 PolarHBondContact O-N 2.97Å; F90-I107 VanDerWaalsContact O-N 3.1Å; L105-I107 HydrophobicContact CD2-CD1 4.38Å; L105-I107 HydrophobicContact CG-CG1 4.29Å; I107-D109 HydrophobicContact CG2-CB 4.22Å; I107-E630 WeakPolarHBondContact CA-OE1 3.49Å; I107-E630 HydrophobicContact CB-CG 4.46Å; I107-E630 HydrophobicContact CG1-CB 4.43Å; I107-E630 HydrophobicContact CG1-CG 4.1Å; I107-E630 HydrophobicContact CG2-CG 4.5Å
108	R	89.5	Confident	91.3	Very high	70 Å²	70	25.6 Å²	25.6	26%	0.264	13%	0.133	S	C	.	.			trans	-113.1	95.3	169.3	-76.5	-178.4	-179.4	124.2	3.2	110.1	E49 R622 T623 K624 N626 E630	E49-R108 IonicContact OE1-CZ 3.97Å; E49-R108 VanDerWaalsContact OE1-CZ 3.27Å; E49-R108 IonicContact OE1-NE 2.79Å; E49-R108 PolarHBondContact OE1-NE 2.85Å; E49-R108 IonicContact OE1-NH2 3.27Å; E49-R108 PolarHBondContact OE1-NH2 3.35Å; R108-R622 VanDerWaalsContact CZ-CZ 3.43Å; R108-R622 VanDerWaalsContact NE-CZ 3.28Å; R108-R622 VanDerWaalsContact NE-NH1 3.12Å; R108-T623 PolarHBondContact NH2-O 3.33Å; R108-K624 PolarHBondContact NH2-O 3.26Å; R108-N626 PolarHBondContact NH1-O 3.5Å; R108-N626 PolarHBondContact NH2-O 2.7Å; R108-E630 PolarHBondContact N-OE1 2.93Å; R108-E630 VanDerWaalsContact N-OE1 3.15Å
109	D	85.6	Confident	91.5	Very high	110 Å²	110	22.3 Å²	22.3	59%	0.588	12%	0.116	S	C	*	.	S	Bend	trans	-131.3	-71.1	175.2	176.8	38.5	0	0	0	109.8	N88 I107	N88-D109 PolarHBondContact OD1-O 2.9Å; I107-D109 HydrophobicContact CG2-CB 4.22Å
110	Q	86.5	Confident	91.6	Very high	76 Å²	76	22.3 Å²	22.3	36%	0.355	12%	0.116	S	C	.	.	S	Bend	trans	-150.7	156.6	-178.6	64.3	-166.6	-53.2	0	0	110.5	G89 V112 P144	G89-Q110 WeakPolarHBondContact CA-O 3.26Å; G89-Q110 PolarHBondContact N-O 3.42Å; G89-Q110 VanDerWaalsContact N-O 3.09Å; Q110-V112 PolarHBondContact O-N 3.1Å; Q110-P144 VanDerWaalsContact CD-CB 3.44Å; Q110-P144 HydrophobicContact CG-CB 3.94Å
111	P	86.9	Confident	91.5	Very high	35 Å²	35	22 Å²	22	23%	0.227	11%	0.113	C	C	.	.			trans	-57	140.4	171.1	17.3	-25.5	0	0	0	111.1	L52 S87 Y145	L52-P111 HydrophobicContact CD1-CB 4.35Å; S87-P111 WeakPolarHBondContact O-CD 3.4Å; S87-P111 WeakPolarHBondContact O-CG 3.43Å; P111-Y145 HydrophobicContact CG-CD1 4.37Å; P111-Y145 VanDerWaalsContact O-CB 3.3Å; P111-Y145 WeakPolarHBondContact O-CB 3.29Å; P111-Y145 PolarHBondContact O-N 3.15Å
112	V	87.9	Confident	91	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.03	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145.8	-177	-68.8	0	0	0	0	110.5	W53 F90 Q110 V115 V142 L143	W53-V112 HydrophobicContact CZ2-CG2 4Å; W53-V112 PolarHBondContact NE1-O 3.48Å; F90-V112 HydrophobicContact CB-CG2 3.74Å; F90-V112 HydrophobicContact CD1-CG1 3.94Å; F90-V112 HydrophobicContact CD1-CG2 3.8Å; F90-V112 HydrophobicContact CE1-CG1 4.35Å; F90-V112 HydrophobicContact CG-CG2 4.11Å; Q110-V112 PolarHBondContact O-N 3.1Å; V112-V115 HydrophobicContact CB-CG2 4.23Å; V112-V115 HydrophobicContact CG2-CG2 3.63Å; V112-V142 HydrophobicContact CG1-CG1 3.75Å; V112-L143 CarbonylContact C-O 3.55Å; V112-L143 WeakPolarHBondContact CA-O 3.39Å
113	C	84.3	Confident	90	Very high	33 Å²	33	26.4 Å²	26.4	22%	0.223	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-35.8	172.9	-70.8	0	0	0	0	111.9	L143	C113-L143 HydrophobicContact CB-CD2 3.86Å; C113-L143 HydrophobicContact CB-CG 4.43Å; C113-L143 PolarHBondContact N-O 3.23Å
114	V	87.6	Confident	88.8	Confident	18 Å²	18	28.4 Å²	28.4	11%	0.109	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	134.9	-170.3	167.3	0	0	0	0	109.1	V142 L143 M174 I177	V114-V142 WeakPolarHBondContact O-CA 3.47Å; V114-L143 HydrophobicContact CB-CB 3.95Å; V114-L143 PolarHBondContact N-O 2.94Å; V114-L143 PolarHBondContact O-N 3.29Å; V114-M174 HydrophobicContact CB-CE 4Å; V114-M174 HydrophobicContact CG1-CE 4.27Å; V114-M174 HydrophobicContact CG2-CE 3.61Å; V114-I177 HydrophobicContact CB-CG2 4.41Å; V114-I177 HydrophobicContact CG1-CB 4.41Å; V114-I177 HydrophobicContact CG1-CG2 3.15Å; V114-I177 HydrophobicContact CG2-CG2 4.44Å
115	V	93.1	Very high	87.3	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	122	166.3	-179.7	0	0	0	0	107	W53 F90 L92 V112 L140 A141	W53-V115 HydrophobicContact CH2-CB 3.9Å; W53-V115 HydrophobicContact CH2-CG2 4.04Å; W53-V115 HydrophobicContact CZ2-CB 4.43Å; W53-V115 HydrophobicContact CZ2-CG2 4.09Å; F90-V115 HydrophobicContact CB-CG2 3.95Å; F90-V115 HydrophobicContact CD1-CG2 3.79Å; F90-V115 HydrophobicContact CD2-CB 4.29Å; F90-V115 HydrophobicContact CD2-CG1 3.76Å; F90-V115 HydrophobicContact CD2-CG2 3.72Å; F90-V115 HydrophobicContact CE1-CG2 4.15Å; F90-V115 HydrophobicContact CE2-CG1 3.64Å; F90-V115 HydrophobicContact CE2-CG2 4.07Å; F90-V115 HydrophobicContact CG-CG1 4.46Å; F90-V115 HydrophobicContact CG-CG2 3.55Å; F90-V115 HydrophobicContact CZ-CG1 4.27Å; F90-V115 HydrophobicContact CZ-CG2 4.28Å; L92-V115 HydrophobicContact CD2-CG1 4.16Å; V112-V115 HydrophobicContact CB-CG2 4.23Å; V112-V115 HydrophobicContact CG2-CG2 3.63Å; V115-L140 HydrophobicContact CG1-CD1 3.67Å; V115-L140 HydrophobicContact CG1-CD2 4.26Å; V115-L140 HydrophobicContact CG1-CG 4.18Å; V115-A141 CarbonylContact C-O 3.59Å; V115-A141 WeakPolarHBondContact CA-O 3.5Å
116	K	93.6	Very high	85.6	Confident	28 Å²	28	39.9 Å²	39.9	12%	0.122	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	125.3	179	-172.9	163.2	-145.2	69.3	0	111.1	E57 L118 A141 I177 A179	E57-K116 IonicContact OE1-NZ 3.46Å; E57-K116 WeakPolarHBondContact OE2-CG 3.44Å; E57-K116 IonicContact OE2-NZ 3.48Å; E57-K116 PolarHBondContact OE2-NZ 2.88Å; K116-L118 HydrophobicContact CD-CD2 4.47Å; K116-L118 HydrophobicContact CG-CD2 4.25Å; K116-L118 PolarHBondContact O-N 2.97Å; K116-A141 HydrophobicContact CB-CB 4.39Å; K116-A141 PolarHBondContact N-O 3.23Å; K116-A141 PolarHBondContact O-N 2.97Å; K116-I177 HydrophobicContact CB-CG2 4.15Å; K116-I177 HydrophobicContact CD-CB 4.42Å; K116-I177 HydrophobicContact CD-CD1 4.33Å; K116-I177 HydrophobicContact CD-CG1 3.97Å; K116-I177 HydrophobicContact CD-CG2 3.9Å; K116-A179 HydrophobicContact CD-CB 4.16Å
117	L	95.3	Very high	84.2	Confident	10 Å²	10	41.3 Å²	41.3	5%	0.052	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	117.6	166.2	-74.9	171.5	0	0	0	108	C59 I81 L92 P119 L140 L159	C59-L117 HydrophobicContact CB-CB 3.78Å; C59-L117 HydrophobicContact CB-CD1 4.25Å; I81-L117 HydrophobicContact CG2-CD1 4.23Å; L92-L117 HydrophobicContact CD1-CD1 4.02Å; L92-L117 HydrophobicContact CD1-CD2 4.16Å; L92-L117 HydrophobicContact CD1-CG 3.99Å; L117-P119 WeakPolarHBondContact O-CD 3.47Å; L117-L140 HydrophobicContact CD2-CD1 3.62Å; L117-L140 HydrophobicContact CG-CD1 4Å; L117-L159 HydrophobicContact CD2-CD1 3.75Å
118	L	95.8	Very high	83	Confident	8 Å²	8	46.7 Å²	46.7	4%	0.042	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	124.3	-179.2	-62.3	-177.7	0	0	0	109.9	K116 L139 A141 L156 I177 A179 V184 F200	K116-L118 HydrophobicContact CD-CD2 4.47Å; K116-L118 HydrophobicContact CG-CD2 4.25Å; K116-L118 PolarHBondContact O-N 2.97Å; L118-L139 HydrophobicContact CB-CB 4.37Å; L118-L139 HydrophobicContact CD1-CB 4.32Å; L118-L139 PolarHBondContact N-O 3.09Å; L118-A141 HydrophobicContact CD1-CB 4.17Å; L118-A141 HydrophobicContact CD2-CB 4.08Å; L118-A141 HydrophobicContact CG-CB 4.07Å; L118-L156 HydrophobicContact CD1-CD1 4.32Å; L118-L156 HydrophobicContact CD1-CD2 3.91Å; L118-I177 HydrophobicContact CD2-CD1 4.34Å; L118-A179 HydrophobicContact CD2-CB 3.84Å; L118-V184 HydrophobicContact CD2-CG2 4.23Å; L118-F200 HydrophobicContact CD1-CE1 3.83Å; L118-F200 HydrophobicContact CD1-CZ 3.82Å
119	P	94	Very high	82.2	Confident	14 Å²	14	45.9 Å²	45.9	9%	0.091	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-55.8	149.8	172	-23.5	33.8	0	0	0	111.9	L117 R137	L117-P119 WeakPolarHBondContact O-CD 3.47Å; P119-R137 PolarHBondContact O-NH1 3.44Å
120	S	91.2	Very high	81.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-65.1	140.3	175.3	-68.7	0	0	0	0	110.8	D60 S181	D60-S120 VanDerWaalsContact CG-N 3.28Å; D60-S120 PolarHBondContact OD1-N 2.82Å; D60-S120 WeakPolarHBondContact OD2-CB 3.37Å; D60-S120 PolarHBondContact OD2-N 2.75Å; D60-S120 PolarHBondContact OD2-OG 3.03Å; S120-S181 VanDerWaalsContact O-CB 3.3Å; S120-S181 WeakPolarHBondContact O-CB 3.46Å
121	Y	90.6	Very high	82	Confident	11 Å²	11	43.2 Å²	43.2	4%	0.043	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-64.6	137.8	179.1	173.6	-104.9	0	0	0	111	D127 T129 D131 S181 H196 A197	Y121-D127 PolarHBondContact OH-OD2 2.84Å; Y121-T129 PolarHBondContact OH-OG1 3.16Å; Y121-D131 HydrophobicContact CD1-CB 3.94Å; Y121-D131 HydrophobicContact CG-CB 4.49Å; Y121-S181 CarbonylContact C-O 2.94Å; Y121-S181 VanDerWaalsContact CA-O 3.26Å; Y121-S181 WeakPolarHBondContact CA-O 3.17Å; Y121-S181 WeakPolarHBondContact CD2-O 3.46Å; Y121-H196 AromaticContact CE2-CE1 3.59Å; Y121-H196 AromaticContact CE2-NE2 3.11Å; Y121-H196 WeakPolarHBondContact CE2-NE2 3.41Å; Y121-H196 AromaticContact CZ-CE1 3.7Å; Y121-H196 AromaticContact CZ-NE2 3.44Å; Y121-H196 PolarHBondContact OH-NE2 3.3Å; Y121-A197 HydrophobicContact CD2-CB 4.27Å
122	R	84.6	Confident	82.2	Confident	45 Å²	45	45.3 Å²	45.3	17%	0.17	28%	0.282	C	S	.	.			trans	-122.9	114.8	174.1	-66.7	179.6	-166.3	156.1	18.4	109.7	D63 Y66 S124 S181	D63-R122 IonicContact OD2-CZ 2.78Å; D63-R122 VanDerWaalsContact OD2-CZ 3.29Å; D63-R122 IonicContact OD2-NH1 2.82Å; D63-R122 PolarHBondContact OD2-NH1 3.21Å; D63-R122 IonicContact OD2-NH2 2.71Å; D63-R122 PolarHBondContact OD2-NH2 2.98Å; Y66-R122 VanDerWaalsContact CZ-CZ 3.48Å; Y66-R122 VanDerWaalsContact OH-CZ 3.22Å; Y66-R122 PolarHBondContact OH-NE 3.33Å; Y66-R122 PolarHBondContact OH-NH2 2.89Å; Y66-R122 VanDerWaalsContact OH-NH2 3.08Å; R122-S124 PolarHBondContact O-N 2.95Å; R122-S181 PolarHBondContact N-O 3.3Å
123	S	74.2	Confident	82.5	Confident	61 Å²	61	46.6 Å²	46.6	43%	0.427	29%	0.287	S	S	.	.			trans	-64.5	130.2	170.4	161.5	0	0	0	0	109.7	D127	S123-D127 PolarHBondContact OG-O 3.48Å
124	S	69	Low	82.8	Confident	43 Å²	43	48.2 Å²	48.2	30%	0.301	29%	0.289	S	S	.	.			trans	-76.3	165.1	166.1	-169.9	0	0	0	0	109.9	R122 D126 D127	R122-S124 PolarHBondContact O-N 2.95Å; S124-D126 PolarHBondContact O-N 2.81Å; S124-D127 PolarHBondContact O-N 2.85Å
125	S	62.3	Low	83.1	Confident	100 Å²	100	54.4 Å²	54.4	70%	0.699	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-32.9	176.1	52.4	0	0	0	0	113.6
126	D	59.9	Low	83.2	Confident	142 Å²	142	55.7 Å²	55.7	76%	0.759	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-8.4	-172.3	-53.1	-11	0	0	0	112.5	S124 T128	S124-D126 PolarHBondContact O-N 2.81Å; D126-T128 PolarHBondContact O-N 2.86Å
127	D	64.1	Low	83.2	Confident	29 Å²	29	54.4 Å²	54.4	16%	0.155	32%	0.32	C	S	.	.			trans	-87.8	110.5	-176	-119.2	-40.3	0	0	0	109.9	Y121 S123 S124 T129 R182	Y121-D127 PolarHBondContact OH-OD2 2.84Å; S123-D127 PolarHBondContact OG-O 3.48Å; S124-D127 PolarHBondContact O-N 2.85Å; D127-T129 PolarHBondContact O-N 2.82Å; D127-T129 PolarHBondContact OD1-OG1 3.38Å; D127-R182 IonicContact OD2-CZ 2.96Å; D127-R182 IonicContact OD2-NE 2.88Å; D127-R182 IonicContact OD2-NH2 3.21Å; D127-R182 PolarHBondContact OD2-NH2 2.98Å
128	T	67.1	Low	83.2	Confident	138 Å²	138	54.5 Å²	54.5	85%	0.847	32%	0.321	S	S	*	.			trans	-78.9	-7	171.8	57.2	0	0	0	0	112.5	D126	D126-T128 PolarHBondContact O-N 2.86Å
129	T	71.7	Confident	83.3	Confident	53 Å²	53	54.1 Å²	54.1	33%	0.325	32%	0.319	S	S	.	.			trans	-76	137.2	-176.3	63.2	0	0	0	0	111.4	Y121 D127 H196	Y121-T129 PolarHBondContact OH-OG1 3.16Å; D127-T129 PolarHBondContact O-N 2.82Å; D127-T129 PolarHBondContact OD1-OG1 3.38Å; T129-H196 PolarHBondContact OG1-CE1 3.44Å
130	C	81.1	Confident	83.4	Confident	109 Å²	109	53.5 Å²	53.5	74%	0.736	32%	0.315	S	S	*	.			trans	-99.1	154.9	173.1	-69.3	0	0	0	0	110	A132	C130-A132 PolarHBondContact O-N 2.8Å
131	D	88.7	Confident	83.6	Confident	22 Å²	22	53.5 Å²	53.5	12%	0.118	32%	0.315	C	S	.	.			trans	-69.9	98.8	174.1	-173	15.7	0	0	0	110.1	Y121 F133 R134 R137	Y121-D131 HydrophobicContact CD1-CB 3.94Å; Y121-D131 HydrophobicContact CG-CB 4.49Å; D131-F133 PolarHBondContact O-N 3.33Å; D131-F133 VanDerWaalsContact O-N 3.15Å; D131-F133 PolarHBondContact OD1-N 2.94Å; D131-R134 HydrophobicContact CB-CB 4.12Å; D131-R134 VanDerWaalsContact O-CB 3.3Å; D131-R134 WeakPolarHBondContact O-CB 3.42Å; D131-R134 PolarHBondContact O-N 2.84Å; D131-R134 WeakPolarHBondContact OD2-CA 3.46Å; D131-R137 IonicContact OD1-CZ 3.41Å; D131-R137 IonicContact OD1-NE 2.86Å; D131-R137 PolarHBondContact OD1-NE 2.91Å; D131-R137 IonicContact OD1-NH2 2.68Å; D131-R137 PolarHBondContact OD1-NH2 2.89Å; D131-R137 WeakPolarHBondContact OD2-CD 3.35Å; D131-R137 IonicContact OD2-CZ 3.39Å; D131-R137 IonicContact OD2-NE 2.87Å; D131-R137 PolarHBondContact OD2-NE 3.28Å; D131-R137 IonicContact OD2-NH2 3.83Å
132	A	91.3	Very high	83.7	Confident	78 Å²	78	53.6 Å²	53.6	65%	0.645	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-21.7	-178.5	0	0	0	0	0	112.4	C130 G198	C130-A132 PolarHBondContact O-N 2.8Å; A132-G198 PolarHBondContact N-O 2.87Å
133	F	93.4	Very high	84	Confident	32 Å²	32	52 Å²	52	14%	0.14	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	14.6	-178.3	-62.4	-91.3	0	0	0	113.3	D131 E135 S136 R137 L139 V165 H166 F200	D131-F133 PolarHBondContact O-N 3.33Å; D131-F133 VanDerWaalsContact O-N 3.15Å; D131-F133 PolarHBondContact OD1-N 2.94Å; F133-E135 VanDerWaalsContact C-N 3.31Å; F133-E135 PolarHBondContact O-N 2.7Å; F133-S136 WeakPolarHBondContact O-CA 3.48Å; F133-S136 WeakPolarHBondContact O-CB 3.48Å; F133-S136 PolarHBondContact O-N 3.1Å; F133-R137 PolarHBondContact O-N 2.67Å; F133-R137 VanDerWaalsContact O-N 3.09Å; F133-L139 HydrophobicContact CB-CD1 3.99Å; F133-V165 HydrophobicContact CD1-CB 4.21Å; F133-V165 HydrophobicContact CD1-CG2 3.89Å; F133-V165 HydrophobicContact CE1-CB 4.32Å; F133-V165 HydrophobicContact CE1-CG2 4.2Å; F133-H166 HydrophobicContact CE1-CB 3.95Å; F133-H166 HydrophobicContact CZ-CB 4.1Å; F133-F200 HydrophobicContact CB-CE2 4.36Å; F133-F200 HydrophobicContact CD1-CE2 4.5Å; F133-F200 AromaticContact CD2-CD2 3.49Å; F133-F200 HydrophobicContact CD2-CD2 3.49Å; F133-F200 VanDerWaalsContact CD2-CD2 3.49Å; F133-F200 AromaticContact CD2-CE2 3.7Å; F133-F200 HydrophobicContact CD2-CE2 3.7Å; F133-F200 HydrophobicContact CE1-CD2 4.46Å; F133-F200 AromaticContact CE2-CD2 3.44Å; F133-F200 HydrophobicContact CE2-CD2 3.44Å; F133-F200 VanDerWaalsContact CE2-CD2 3.44Å; F133-F200 HydrophobicContact CE2-CE2 4.13Å; F133-F200 HydrophobicContact CE2-CG 4.43Å; F133-F200 HydrophobicContact CG-CD2 4.07Å; F133-F200 AromaticContact CG-CE2 3.92Å; F133-F200 HydrophobicContact CG-CE2 3.92Å; F133-F200 AromaticContact CZ-CD2 3.94Å; F133-F200 HydrophobicContact CZ-CD2 3.94Å
134	R	91.3	Very high	84.6	Confident	68 Å²	68	50.3 Å²	50.3	26%	0.257	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-46.6	-49.8	-178.2	-175.6	179.1	174.8	94	5.8	113.7	D131 S136 R137 Q647 S651	D131-R134 HydrophobicContact CB-CB 4.12Å; D131-R134 VanDerWaalsContact O-CB 3.3Å; D131-R134 WeakPolarHBondContact O-CB 3.42Å; D131-R134 PolarHBondContact O-N 2.84Å; D131-R134 WeakPolarHBondContact OD2-CA 3.46Å; R134-S136 VanDerWaalsContact C-N 3.28Å; R134-S136 PolarHBondContact O-N 2.92Å; R134-R137 PolarHBondContact O-N 2.84Å; R134-Q647 PolarHBondContact NH2-O 3.22Å; R134-S651 PolarHBondContact NH2-OG 2.89Å
135	E	92.2	Very high	85.2	Confident	147 Å²	147	50.9 Å²	50.9	69%	0.687	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-71.6	-24	-178.5	-60.9	-52.4	139.8	0	0	113.1	F133	F133-E135 VanDerWaalsContact C-N 3.31Å; F133-E135 PolarHBondContact O-N 2.7Å
136	S	95	Very high	85.7	Confident	32 Å²	32	47.9 Å²	47.9	22%	0.224	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-84.7	-16.6	178.5	-68.4	0	0	0	0	113.3	F133 R134 S158	F133-S136 WeakPolarHBondContact O-CA 3.48Å; F133-S136 WeakPolarHBondContact O-CB 3.48Å; F133-S136 PolarHBondContact O-N 3.1Å; R134-S136 VanDerWaalsContact C-N 3.28Å; R134-S136 PolarHBondContact O-N 2.92Å; S136-S158 WeakPolarHBondContact O-CB 3.33Å; S136-S158 PolarHBondContact O-OG 3.15Å
137	R	94.8	Very high	86	Confident	1 Å²	1	50.7 Å²	50.7	0%	0.004	27%	0.274	C	S	.	.			trans	-66.3	144.9	177.6	-73.8	-173.5	-169.5	-81.6	-7.1	111.6	P119 D131 F133 R134 L139 K160 A197 N643	P119-R137 PolarHBondContact O-NH1 3.44Å; D131-R137 IonicContact OD1-CZ 3.41Å; D131-R137 IonicContact OD1-NE 2.86Å; D131-R137 PolarHBondContact OD1-NE 2.91Å; D131-R137 IonicContact OD1-NH2 2.68Å; D131-R137 PolarHBondContact OD1-NH2 2.89Å; D131-R137 WeakPolarHBondContact OD2-CD 3.35Å; D131-R137 IonicContact OD2-CZ 3.39Å; D131-R137 IonicContact OD2-NE 2.87Å; D131-R137 PolarHBondContact OD2-NE 3.28Å; D131-R137 IonicContact OD2-NH2 3.83Å; F133-R137 PolarHBondContact O-N 2.67Å; F133-R137 VanDerWaalsContact O-N 3.09Å; R134-R137 PolarHBondContact O-N 2.84Å; R137-L139 HydrophobicContact CG-CD1 4.27Å; R137-L139 HydrophobicContact CG-CG 3.98Å; R137-K160 WeakPolarHBondContact O-CD 3.23Å; R137-K160 WeakPolarHBondContact O-CE 3.48Å; R137-K160 PolarHBondContact O-NZ 2.81Å; R137-A197 PolarHBondContact NH2-O 3.13Å; R137-N643 WeakPolarHBondContact CB-OD1 3.42Å; R137-N643 PolarHBondContact O-ND2 3.14Å
138	P	95.8	Very high	85.8	Confident	11 Å²	11	52 Å²	52	7%	0.071	29%	0.286	C	S	.	.	S	Bend	cis	-81	146	9.6	21	-14.2	0	0	0	113.1	L159 I639 I640 N643	P138-L159 HydrophobicContact CB-CD1 4.29Å; P138-L159 HydrophobicContact CG-CB 4.14Å; P138-L159 HydrophobicContact CG-CD1 4.19Å; P138-L159 PolarHBondContact O-N 3.13Å; P138-I639 HydrophobicContact CB-CG2 4.03Å; P138-I639 HydrophobicContact CG-CG2 3.41Å; P138-I639 VanDerWaalsContact CG-CG2 3.41Å; P138-I640 HydrophobicContact CG-CD1 3.89Å; P138-N643 HydrophobicContact CB-CB 4.4Å; P138-N643 HydrophobicContact CG-CB 3.98Å
139	L	96.9	Very high	85.3	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.4	-176.8	-62.8	177	0	0	0	111.2	L118 F133 R137 I157 V165 F200	L118-L139 HydrophobicContact CB-CB 4.37Å; L118-L139 HydrophobicContact CD1-CB 4.32Å; L118-L139 PolarHBondContact N-O 3.09Å; F133-L139 HydrophobicContact CB-CD1 3.99Å; R137-L139 HydrophobicContact CG-CD1 4.27Å; R137-L139 HydrophobicContact CG-CG 3.98Å; L139-I157 WeakPolarHBondContact CA-O 3.38Å; L139-V165 HydrophobicContact CD2-CG2 3.61Å; L139-F200 HydrophobicContact CD1-CE2 3.54Å; L139-F200 HydrophobicContact CD1-CZ 3.65Å
140	L	96.4	Very high	85	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.2	174	-171.7	76	0	0	0	109.2	F90 L92 L105 V115 L117 V142 I157 L159	F90-L140 HydrophobicContact CE2-CD2 3.87Å; F90-L140 HydrophobicContact CZ-CD2 3.68Å; L92-L140 HydrophobicContact CD1-CD1 4.04Å; L105-L140 HydrophobicContact CD2-CD2 3.68Å; V115-L140 HydrophobicContact CG1-CD1 3.67Å; V115-L140 HydrophobicContact CG1-CD2 4.26Å; V115-L140 HydrophobicContact CG1-CG 4.18Å; L117-L140 HydrophobicContact CD2-CD1 3.62Å; L117-L140 HydrophobicContact CG-CD1 4Å; L140-V142 HydrophobicContact CD2-CG2 3.55Å; L140-V142 HydrophobicContact CG-CG2 3.75Å; L140-I157 PolarHBondContact N-O 2.8Å; L140-I157 PolarHBondContact O-N 2.82Å; L140-L159 HydrophobicContact CB-CD2 3.88Å; L140-L159 HydrophobicContact CB-CG 4.17Å; L140-L159 HydrophobicContact CD2-CD2 4.14Å
141	A	95.3	Very high	84.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	121.4	171.5	0	0	0	0	0	109.3	V115 K116 L118 L154 S155 L156 I177	V115-A141 CarbonylContact C-O 3.59Å; V115-A141 WeakPolarHBondContact CA-O 3.5Å; K116-A141 HydrophobicContact CB-CB 4.39Å; K116-A141 PolarHBondContact N-O 3.23Å; K116-A141 PolarHBondContact O-N 2.97Å; L118-A141 HydrophobicContact CD1-CB 4.17Å; L118-A141 HydrophobicContact CD2-CB 4.08Å; L118-A141 HydrophobicContact CG-CB 4.07Å; A141-L154 HydrophobicContact CB-CD1 4.15Å; A141-S155 WeakPolarHBondContact CA-O 3.4Å; A141-L156 HydrophobicContact CB-CD2 3.57Å; A141-I177 HydrophobicContact CB-CD1 3.95Å
142	V	93.7	Very high	83.9	Confident	14 Å²	14	55.7 Å²	55.7	9%	0.085	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.4	-178.4	-176.9	0	0	0	0	109.8	F90 V112 V114 L140 S155 I157	F90-V142 HydrophobicContact CE1-CG1 4.32Å; F90-V142 HydrophobicContact CE1-CG2 4.43Å; F90-V142 HydrophobicContact CZ-CG2 4.18Å; V112-V142 HydrophobicContact CG1-CG1 3.75Å; V114-V142 WeakPolarHBondContact O-CA 3.47Å; L140-V142 HydrophobicContact CD2-CG2 3.55Å; L140-V142 HydrophobicContact CG-CG2 3.75Å; V142-S155 PolarHBondContact N-O 3Å; V142-S155 PolarHBondContact O-N 2.81Å; V142-I157 HydrophobicContact CB-CD1 4.33Å; V142-I157 HydrophobicContact CG2-CD1 4.02Å
143	L	90.3	Very high	83.8	Confident	11 Å²	11	54.2 Å²	54.2	6%	0.058	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	115	168.1	-173.9	79.7	0	0	0	109.5	V112 C113 V114 V152 L154 M174	V112-L143 CarbonylContact C-O 3.55Å; V112-L143 WeakPolarHBondContact CA-O 3.39Å; C113-L143 HydrophobicContact CB-CD2 3.86Å; C113-L143 HydrophobicContact CB-CG 4.43Å; C113-L143 PolarHBondContact N-O 3.23Å; V114-L143 HydrophobicContact CB-CB 3.95Å; V114-L143 PolarHBondContact N-O 2.94Å; V114-L143 PolarHBondContact O-N 3.29Å; L143-V152 HydrophobicContact CD1-CB 4.17Å; L143-V152 HydrophobicContact CD1-CG1 3.66Å; L143-V152 HydrophobicContact CG-CG1 4.26Å; L143-L154 HydrophobicContact CB-CD1 3.97Å; L143-L154 HydrophobicContact CD1-CB 4.34Å; L143-M174 HydrophobicContact CB-CE 3.65Å; L143-M174 HydrophobicContact CB-SD 4.42Å; L143-M174 HydrophobicContact CD1-CE 4.21Å; L143-M174 HydrophobicContact CD1-SD 3.89Å; L143-M174 HydrophobicContact CD2-CB 3.8Å; L143-M174 HydrophobicContact CD2-CE 3.27Å; L143-M174 HydrophobicContact CD2-CG 4.23Å; L143-M174 HydrophobicContact CD2-SD 3.71Å; L143-M174 HydrophobicContact CG-CE 3.87Å; L143-M174 HydrophobicContact CG-SD 4.2Å
144	P	86.7	Confident	83.7	Confident	26 Å²	26	52.7 Å²	52.7	17%	0.169	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	155.3	174.6	26.1	-27.6	0	0	0	111.9	Q110 V152	Q110-P144 VanDerWaalsContact CD-CB 3.44Å; Q110-P144 HydrophobicContact CG-CB 3.94Å; P144-V152 HydrophobicContact CG-CG1 3.47Å; P144-V152 VanDerWaalsContact CG-CG1 3.47Å
145	Y	80.8	Confident	83.8	Confident	54 Å²	54	50.9 Å²	50.9	21%	0.212	26%	0.26	C	S	.	.			trans	-82.9	120.1	173.6	174.2	-105.6	0	0	0	110.3	P111 R147 L544	P111-Y145 HydrophobicContact CG-CD1 4.37Å; P111-Y145 VanDerWaalsContact O-CB 3.3Å; P111-Y145 WeakPolarHBondContact O-CB 3.29Å; P111-Y145 PolarHBondContact O-N 3.15Å; Y145-R147 HydrophobicContact CD1-CG 4.27Å; Y145-R147 HydrophobicContact CE1-CG 3.43Å; Y145-R147 VanDerWaalsContact CE1-CG 3.43Å; Y145-L544 HydrophobicContact CD2-CD2 3.55Å; Y145-L544 HydrophobicContact CE2-CD1 3.83Å; Y145-L544 HydrophobicContact CE2-CD2 3.27Å; Y145-L544 HydrophobicContact CE2-CG 3.89Å
146	S	73.6	Confident	84	Confident	38 Å²	38	43.9 Å²	43.9	27%	0.266	23%	0.228	S	C	.	.			trans	-104.6	128.2	170.2	172.7	0	0	0	0	110.8	S148	S146-S148 PolarHBondContact OG-N 3.35Å; S146-S148 PolarHBondContact OG-O 3.06Å; S146-S148 PolarHBondContact OG-OG 2.86Å
147	R	65.5	Low	84.1	Confident	200 Å²	200	43.9 Å²	43.9	76%	0.755	23%	0.225	S	C	*	.	S	Bend	trans	-76.7	-30.3	170	-70.2	-176.2	177.3	165.2	2.1	112.3	Y145	Y145-R147 HydrophobicContact CD1-CG 4.27Å; Y145-R147 HydrophobicContact CE1-CG 3.43Å; Y145-R147 VanDerWaalsContact CE1-CG 3.43Å
148	S	59.8	Low	84.2	Confident	58 Å²	58	43.9 Å²	43.9	41%	0.406	23%	0.225	S	C	.	.	S	Bend	trans	-77.4	149.3	176.5	40.4	0	0	0	0	110.7	S146 L150	S146-S148 PolarHBondContact OG-N 3.35Å; S146-S148 PolarHBondContact OG-O 3.06Å; S146-S148 PolarHBondContact OG-OG 2.86Å; S148-L150 PolarHBondContact O-N 2.93Å; S148-L150 WeakPolarHBondContact OG-CD1 3.37Å
149	D	58.2	Low	84.2	Confident	137 Å²	137	43.3 Å²	43.3	73%	0.733	22%	0.222	S	C	*	.	S	Bend	trans	-66	18.7	166	-74.4	-6	0	0	0	112.4	R543	D149-R543 IonicContact OD1-CZ 3.38Å; D149-R543 IonicContact OD1-NH1 3.85Å; D149-R543 PolarHBondContact OD1-NH1 3.22Å; D149-R543 IonicContact OD1-NH2 3.29Å; D149-R543 PolarHBondContact OD1-NH2 2.74Å; D149-R543 IonicContact OD2-NH2 2.67Å
150	L	65.2	Low	84.1	Confident	127 Å²	127	46 Å²	46	67%	0.665	23%	0.233	S	C	*	.			trans	-70.7	137.7	171.6	-69.5	173.9	0	0	0	109.5	S148 V152	S148-L150 PolarHBondContact O-N 2.93Å; S148-L150 WeakPolarHBondContact OG-CD1 3.37Å; L150-V152 PolarHBondContact O-N 3.18Å
151	Q	68.8	Low	84.1	Confident	102 Å²	102	48.4 Å²	48.4	48%	0.477	25%	0.25	S	C	.	.			trans	-58.1	127	173.9	-165.5	-176.3	-47.7	0	0	110	D153 C170	Q151-D153 PolarHBondContact NE2-OD1 3.16Å; Q151-C170 WeakPolarHBondContact CG-O 3.01Å
152	V	77.8	Confident	84	Confident	32 Å²	32	49.9 Å²	49.9	19%	0.194	27%	0.265	C	S	.	.			trans	-111.9	129.5	173	-175.4	0	0	0	0	108.3	L143 P144 L150 C170	L143-V152 HydrophobicContact CD1-CB 4.17Å; L143-V152 HydrophobicContact CD1-CG1 3.66Å; L143-V152 HydrophobicContact CG-CG1 4.26Å; P144-V152 HydrophobicContact CG-CG1 3.47Å; P144-V152 VanDerWaalsContact CG-CG1 3.47Å; L150-V152 PolarHBondContact O-N 3.18Å; V152-C170 WeakPolarHBondContact O-CB 3.08Å
153	D	88	Confident	84.1	Confident	48 Å²	48	56.2 Å²	56.2	26%	0.257	29%	0.292	S	S	.	.			trans	-95.9	143.9	178.2	-61.4	-24.1	0	0	0	111.5	Q151 S155 T167 R169 C170	Q151-D153 PolarHBondContact NE2-OD1 3.16Å; D153-S155 PolarHBondContact O-N 2.88Å; D153-T167 HydrophobicContact CB-CG2 3.28Å; D153-R169 VanDerWaalsContact OD1-CA 3.27Å; D153-R169 WeakPolarHBondContact OD1-CA 3.46Å; D153-C170 PolarHBondContact OD1-N 3.36Å
154	L	91.5	Very high	84.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	115.2	174.3	176.4	73	0	0	0	108.8	A141 L143 L156 T167 I168 M174 I177 V186	A141-L154 HydrophobicContact CB-CD1 4.15Å; L143-L154 HydrophobicContact CB-CD1 3.97Å; L143-L154 HydrophobicContact CD1-CB 4.34Å; L154-L156 HydrophobicContact CG-CD2 4.45Å; L154-T167 WeakPolarHBondContact O-CA 3.46Å; L154-I168 HydrophobicContact CB-CB 4.22Å; L154-I168 HydrophobicContact CD2-CB 4.39Å; L154-I168 HydrophobicContact CD2-CD1 3.94Å; L154-I168 PolarHBondContact N-O 3.22Å; L154-I168 PolarHBondContact O-N 3.12Å; L154-M174 HydrophobicContact CB-SD 4.24Å; L154-M174 HydrophobicContact CD1-CE 4.19Å; L154-M174 HydrophobicContact CD1-SD 4.39Å; L154-I177 HydrophobicContact CD2-CD1 3.83Å; L154-V186 HydrophobicContact CD2-CG2 4.02Å
155	S	93.8	Very high	84.8	Confident	29 Å²	29	60 Å²	60	20%	0.203	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.1	-177.5	-65.2	0	0	0	0	110.8	A141 V142 D153	A141-S155 WeakPolarHBondContact CA-O 3.4Å; V142-S155 PolarHBondContact N-O 3Å; V142-S155 PolarHBondContact O-N 2.81Å; D153-S155 PolarHBondContact O-N 2.88Å
156	L	96.5	Very high	85.5	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	108.8	173.2	-53.5	-168.5	0	0	0	108.7	L118 A141 L154 T164 V165 H166 I168 F200	L118-L156 HydrophobicContact CD1-CD1 4.32Å; L118-L156 HydrophobicContact CD1-CD2 3.91Å; A141-L156 HydrophobicContact CB-CD2 3.57Å; L154-L156 HydrophobicContact CG-CD2 4.45Å; L156-T164 CarbonylContact O-C 3.59Å; L156-T164 WeakPolarHBondContact O-CA 3.35Å; L156-V165 HydrophobicContact CB-CG2 4.32Å; L156-V165 WeakPolarHBondContact O-CG2 3.17Å; L156-V165 PolarHBondContact O-N 2.88Å; L156-H166 HydrophobicContact CB-CB 4.31Å; L156-H166 WeakPolarHBondContact CB-O 3.36Å; L156-H166 HydrophobicContact CD1-CB 4.14Å; L156-H166 HydrophobicContact CG-CB 4.44Å; L156-H166 PolarHBondContact N-O 2.9Å; L156-I168 HydrophobicContact CD1-CD1 4.26Å; L156-I168 HydrophobicContact CD2-CD1 4.49Å; L156-F200 HydrophobicContact CD1-CD1 3.53Å; L156-F200 HydrophobicContact CD1-CD2 3.74Å; L156-F200 HydrophobicContact CD1-CE1 3.39Å; L156-F200 HydrophobicContact CD1-CE2 3.63Å; L156-F200 HydrophobicContact CD1-CG 3.71Å; L156-F200 HydrophobicContact CD1-CZ 3.46Å; L156-F200 VanDerWaalsContact CD1-CZ 3.46Å
157	I	96.5	Very high	86.5	Confident	31 Å²	31	61.3 Å²	61.3	16%	0.159	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.9	-174.6	-57.9	171.4	0	0	0	109	L139 L140 V142 L159 K163	L139-I157 WeakPolarHBondContact CA-O 3.38Å; L140-I157 PolarHBondContact N-O 2.8Å; L140-I157 PolarHBondContact O-N 2.82Å; V142-I157 HydrophobicContact CB-CD1 4.33Å; V142-I157 HydrophobicContact CG2-CD1 4.02Å; I157-L159 PolarHBondContact O-N 2.95Å; I157-K163 WeakPolarHBondContact CA-O 3.39Å
158	S	97.3	Very high	87.7	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	120.8	169.7	169.8	0	0	0	0	109.7	S136 K160 S161 G162 K163	S136-S158 WeakPolarHBondContact O-CB 3.33Å; S136-S158 PolarHBondContact O-OG 3.15Å; S158-K160 PolarHBondContact O-N 2.87Å; S158-K160 PolarHBondContact OG-N 2.92Å; S158-S161 VanDerWaalsContact CB-OG 3.26Å; S158-S161 WeakPolarHBondContact CB-OG 3.38Å; S158-S161 PolarHBondContact O-N 2.88Å; S158-S161 PolarHBondContact OG-N 2.76Å; S158-S161 PolarHBondContact OG-OG 3.49Å; S158-G162 VanDerWaalsContact O-CA 3.24Å; S158-G162 WeakPolarHBondContact O-CA 3.21Å; S158-G162 PolarHBondContact O-N 2.93Å; S158-K163 PolarHBondContact N-O 3.33Å
159	L	96.1	Very high	89	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.7	176.5	-65.3	-179.2	0	0	0	112.6	L105 L117 P138 L140 I157 P631 L633 I639	L105-L159 HydrophobicContact CD1-CD2 4.43Å; L105-L159 HydrophobicContact CD2-CD2 4.08Å; L117-L159 HydrophobicContact CD2-CD1 3.75Å; P138-L159 HydrophobicContact CB-CD1 4.29Å; P138-L159 HydrophobicContact CG-CB 4.14Å; P138-L159 HydrophobicContact CG-CD1 4.19Å; P138-L159 PolarHBondContact O-N 3.13Å; L140-L159 HydrophobicContact CB-CD2 3.88Å; L140-L159 HydrophobicContact CB-CG 4.17Å; L140-L159 HydrophobicContact CD2-CD2 4.14Å; I157-L159 PolarHBondContact O-N 2.95Å; L159-P631 HydrophobicContact CD2-CG 3.65Å; L159-L633 HydrophobicContact CB-CD1 3.92Å; L159-L633 HydrophobicContact CB-CG 4.4Å; L159-L633 HydrophobicContact CD1-CD1 4.31Å; L159-L633 HydrophobicContact CG-CD1 4.49Å; L159-L633 WeakPolarHBondContact O-CG 3.03Å; L159-L633 PolarHBondContact O-N 3.48Å; L159-I639 HydrophobicContact CD1-CD1 4.42Å; L159-I639 HydrophobicContact CD1-CG2 4Å
160	K	94.7	Very high	89.9	Confident	57 Å²	57	51.8 Å²	51.8	25%	0.248	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-43.8	174.9	-75	-178.3	175	177.4	0	113.2	R137 S158 P632 I640 N643 D644	R137-K160 WeakPolarHBondContact O-CD 3.23Å; R137-K160 WeakPolarHBondContact O-CE 3.48Å; R137-K160 PolarHBondContact O-NZ 2.81Å; S158-K160 PolarHBondContact O-N 2.87Å; S158-K160 PolarHBondContact OG-N 2.92Å; K160-P632 WeakPolarHBondContact O-CB 3.28Å; K160-I640 HydrophobicContact CG-CD1 3.75Å; K160-N643 PolarHBondContact NZ-ND2 3.25Å; K160-D644 WeakPolarHBondContact CE-OD1 3.23Å; K160-D644 IonicContact NZ-OD1 3.56Å; K160-D644 PolarHBondContact NZ-OD1 2.89Å
161	S	95.1	Very high	90.1	Very high	50 Å²	50	49.2 Å²	49.2	35%	0.35	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-16.8	-174.3	65.4	0	0	0	0	113.9	S158 K163	S158-S161 VanDerWaalsContact CB-OG 3.26Å; S158-S161 WeakPolarHBondContact CB-OG 3.38Å; S158-S161 PolarHBondContact O-N 2.88Å; S158-S161 PolarHBondContact OG-N 2.76Å; S158-S161 PolarHBondContact OG-OG 3.49Å; S161-K163 PolarHBondContact O-N 2.82Å; S161-K163 PolarHBondContact OG-N 3.44Å
162	G	94.3	Very high	90	Very high	31 Å²	31	46.7 Å²	46.7	32%	0.32	25%	0.251	S	S	.	.			trans	67.3	8.4	-170.8	0	0	0	0	0	115.3	S158	S158-G162 VanDerWaalsContact O-CA 3.24Å; S158-G162 WeakPolarHBondContact O-CA 3.21Å; S158-G162 PolarHBondContact O-N 2.93Å
163	K	95.5	Very high	89.6	Confident	148 Å²	148	47.8 Å²	47.8	64%	0.643	26%	0.261	S	S	*	.	S	Bend	trans	-96.2	146.2	-180	-62.6	-178.2	-179.4	-180	0	111.1	I157 S158 S161 V165	I157-K163 WeakPolarHBondContact CA-O 3.39Å; S158-K163 PolarHBondContact N-O 3.33Å; S161-K163 PolarHBondContact O-N 2.82Å; S161-K163 PolarHBondContact OG-N 3.44Å; K163-V165 PolarHBondContact O-N 2.78Å
164	T	96	Very high	88.6	Confident	73 Å²	73	46.2 Å²	46.2	45%	0.448	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	117.2	164.7	-54.1	0	0	0	0	108.8	L156 H166	L156-T164 CarbonylContact O-C 3.59Å; L156-T164 WeakPolarHBondContact O-CA 3.35Å; T164-H166 WeakPolarHBondContact CG2-O 3.34Å
165	V	96	Very high	87.7	Confident	43 Å²	43	46.5 Å²	46.5	26%	0.261	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-26.3	-178.7	-61.8	0	0	0	0	112.4	F133 L139 L156 K163	F133-V165 HydrophobicContact CD1-CB 4.21Å; F133-V165 HydrophobicContact CD1-CG2 3.89Å; F133-V165 HydrophobicContact CE1-CB 4.32Å; F133-V165 HydrophobicContact CE1-CG2 4.2Å; L139-V165 HydrophobicContact CD2-CG2 3.61Å; L156-V165 HydrophobicContact CB-CG2 4.32Å; L156-V165 WeakPolarHBondContact O-CG2 3.17Å; L156-V165 PolarHBondContact O-N 2.88Å; K163-V165 PolarHBondContact O-N 2.78Å
166	H	95.2	Very high	87.1	Confident	61 Å²	61	46.5 Å²	46.5	28%	0.282	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	154.4	178	-167.5	76.1	0	0	0	110.2	F133 L156 T164	F133-H166 HydrophobicContact CE1-CB 3.95Å; F133-H166 HydrophobicContact CZ-CB 4.1Å; L156-H166 HydrophobicContact CB-CB 4.31Å; L156-H166 WeakPolarHBondContact CB-O 3.36Å; L156-H166 HydrophobicContact CD1-CB 4.14Å; L156-H166 HydrophobicContact CG-CB 4.44Å; L156-H166 PolarHBondContact N-O 2.9Å; T164-H166 WeakPolarHBondContact CG2-O 3.34Å
167	T	94	Very high	86.7	Confident	59 Å²	59	47.1 Å²	47.1	36%	0.362	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	122.1	-177.2	-62.3	0	0	0	0	109.2	D153 L154	D153-T167 HydrophobicContact CB-CG2 3.28Å; L154-T167 WeakPolarHBondContact O-CA 3.46Å
168	I	90.6	Very high	86.5	Confident	10 Å²	10	47.5 Å²	47.5	5%	0.051	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.9	176.4	-62.1	161.8	0	0	0	107.8	L154 L156 C170 I195	L154-I168 HydrophobicContact CB-CB 4.22Å; L154-I168 HydrophobicContact CD2-CB 4.39Å; L154-I168 HydrophobicContact CD2-CD1 3.94Å; L154-I168 PolarHBondContact N-O 3.22Å; L154-I168 PolarHBondContact O-N 3.12Å; L156-I168 HydrophobicContact CD1-CD1 4.26Å; L156-I168 HydrophobicContact CD2-CD1 4.49Å; I168-C170 PolarHBondContact O-N 3.49Å; I168-I195 HydrophobicContact CD1-CD1 3.71Å; I168-I195 HydrophobicContact CG1-CD1 4.19Å; I168-I195 HydrophobicContact CG2-CD1 3.87Å
169	R	87.2	Confident	86.4	Confident	176 Å²	176	48.3 Å²	48.3	66%	0.664	27%	0.266	S	S	*	.			trans	-72.5	117	-177.3	-70.1	-178.8	178.9	164	1.5	111.8	D153 R193	D153-R169 VanDerWaalsContact OD1-CA 3.27Å; D153-R169 WeakPolarHBondContact OD1-CA 3.46Å; R169-R193 PolarHBondContact O-NH1 3.42Å; R169-R193 PolarHBondContact O-NH2 3.17Å
170	C	77.4	Confident	86.3	Confident	8 Å²	8	49.4 Å²	49.4	5%	0.054	27%	0.271	C	S	.	.			trans	-105.9	94.8	178.9	-58.8	0	0	0	0	110	Q151 V152 D153 I168 D172 M174	Q151-C170 WeakPolarHBondContact CG-O 3.01Å; V152-C170 WeakPolarHBondContact O-CB 3.08Å; D153-C170 PolarHBondContact OD1-N 3.36Å; I168-C170 PolarHBondContact O-N 3.49Å; C170-D172 VanDerWaalsContact C-N 3.27Å; C170-D172 PolarHBondContact O-N 2.95Å; C170-M174 HydrophobicContact CB-CB 4.3Å
171	S	69.5	Low	86.1	Confident	73 Å²	73	47.8 Å²	47.8	51%	0.51	27%	0.268	S	S	.	.			trans	-69.6	-23	-179.5	-49.6	0	0	0	0	114.2
172	D	67.7	Low	85.9	Confident	49 Å²	49	46.9 Å²	46.9	26%	0.262	26%	0.256	S	S	.	.	S	Bend	trans	-110.7	167.5	-174.5	-56.2	-60.5	0	0	0	110.4	C170 M174 S188 T190	C170-D172 VanDerWaalsContact C-N 3.27Å; C170-D172 PolarHBondContact O-N 2.95Å; D172-M174 PolarHBondContact O-N 2.99Å; D172-S188 PolarHBondContact OD2-OG 3.49Å; D172-T190 PolarHBondContact OD1-OG1 3.03Å; D172-T190 PolarHBondContact OD2-OG1 2.86Å; D172-T190 VanDerWaalsContact OD2-OG1 3.13Å
173	S	69.1	Low	85.8	Confident	56 Å²	56	45.6 Å²	45.6	39%	0.392	24%	0.242	S	C	.	.			trans	-57.7	102.3	169.1	-177.9	0	0	0	0	109.4	G175 S189 R217	S173-G175 PolarHBondContact O-N 3.15Å; S173-S189 PolarHBondContact O-N 3.26Å; S173-R217 PolarHBondContact O-NH2 3.28Å; S173-R217 PolarHBondContact OG-NH2 3.39Å
174	M	67.6	Low	85.8	Confident	14 Å²	14	38.7 Å²	38.7	7%	0.069	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	133	-174.4	-169.5	-178.1	96.7	0	0	110.1	V114 L143 L154 C170 D172 V186 R217	V114-M174 HydrophobicContact CB-CE 4Å; V114-M174 HydrophobicContact CG1-CE 4.27Å; V114-M174 HydrophobicContact CG2-CE 3.61Å; L143-M174 HydrophobicContact CB-CE 3.65Å; L143-M174 HydrophobicContact CB-SD 4.42Å; L143-M174 HydrophobicContact CD1-CE 4.21Å; L143-M174 HydrophobicContact CD1-SD 3.89Å; L143-M174 HydrophobicContact CD2-CB 3.8Å; L143-M174 HydrophobicContact CD2-CE 3.27Å; L143-M174 HydrophobicContact CD2-CG 4.23Å; L143-M174 HydrophobicContact CD2-SD 3.71Å; L143-M174 HydrophobicContact CG-CE 3.87Å; L143-M174 HydrophobicContact CG-SD 4.2Å; L154-M174 HydrophobicContact CB-SD 4.24Å; L154-M174 HydrophobicContact CD1-CE 4.19Å; L154-M174 HydrophobicContact CD1-SD 4.39Å; C170-M174 HydrophobicContact CB-CB 4.3Å; D172-M174 PolarHBondContact O-N 2.99Å; M174-V186 HydrophobicContact CG-CG1 3.78Å; M174-V186 HydrophobicContact SD-CG1 3.84Å; M174-R217 PolarHBondContact O-NH1 2.74Å; M174-R217 PolarHBondContact O-NH2 3.16Å
175	G	72.2	Confident	85.6	Confident	6 Å²	6	35.2 Å²	35.2	6%	0.062	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-122	-179.9	0	0	0	0	0	114	S173 T187 R217	S173-G175 PolarHBondContact O-N 3.15Å; G175-T187 WeakPolarHBondContact CA-O 3.15Å; G175-T187 PolarHBondContact N-O 2.9Å; G175-R217 VanDerWaalsContact CA-CZ 3.41Å
176	T	79.9	Confident	85.4	Confident	30 Å²	30	33.4 Å²	33.4	18%	0.184	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	155.2	177.3	52.5	0	0	0	0	109.7	T187 R217 D218	T176-T187 PolarHBondContact N-OG1 3.31Å; T176-T187 PolarHBondContact O-N 3.5Å; T176-T187 PolarHBondContact O-OG1 3.05Å; T176-T187 PolarHBondContact OG1-OG1 3.43Å; T176-R217 HydrophobicContact CG2-CB 3.86Å; T176-R217 PolarHBondContact OG1-O 2.89Å; T176-R217 VanDerWaalsContact OG1-O 3.05Å; T176-D218 WeakPolarHBondContact CG2-OD1 3.35Å
177	I	89.7	Confident	84.9	Confident	14 Å²	14	30.9 Å²	30.9	7%	0.072	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.5	169.7	-179.6	173.7	0	0	0	108.9	V114 K116 L118 A141 L154 V184 I185	V114-I177 HydrophobicContact CB-CG2 4.41Å; V114-I177 HydrophobicContact CG1-CB 4.41Å; V114-I177 HydrophobicContact CG1-CG2 3.15Å; V114-I177 HydrophobicContact CG2-CG2 4.44Å; K116-I177 HydrophobicContact CB-CG2 4.15Å; K116-I177 HydrophobicContact CD-CB 4.42Å; K116-I177 HydrophobicContact CD-CD1 4.33Å; K116-I177 HydrophobicContact CD-CG1 3.97Å; K116-I177 HydrophobicContact CD-CG2 3.9Å; L118-I177 HydrophobicContact CD2-CD1 4.34Å; A141-I177 HydrophobicContact CB-CD1 3.95Å; L154-I177 HydrophobicContact CD2-CD1 3.83Å; I177-V184 HydrophobicContact CD1-CG1 3.94Å; I177-V184 HydrophobicContact CG1-CG1 4.12Å; I177-I185 WeakPolarHBondContact CA-O 3.36Å
178	I	91.8	Very high	84.2	Confident	39 Å²	39	28.7 Å²	28.7	20%	0.2	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139.6	172.8	61.6	-174.4	0	0	0	108	I185 V220 L222 F227	I178-I185 HydrophobicContact CD1-CB 4.31Å; I178-I185 HydrophobicContact CD1-CD1 4.37Å; I178-I185 HydrophobicContact CD1-CG2 4.5Å; I178-I185 HydrophobicContact CG1-CB 3.69Å; I178-I185 HydrophobicContact CG1-CD1 4.4Å; I178-I185 HydrophobicContact CG1-CG1 4.39Å; I178-I185 HydrophobicContact CG1-CG2 4.27Å; I178-I185 PolarHBondContact N-O 3.03Å; I178-I185 PolarHBondContact O-N 3.47Å; I178-V220 HydrophobicContact CD1-CG2 3.85Å; I178-L222 HydrophobicContact CB-CB 4.46Å; I178-L222 HydrophobicContact CD1-CB 3.53Å; I178-L222 HydrophobicContact CG1-CB 3.95Å; I178-L222 HydrophobicContact CG1-CD2 4.18Å; I178-F227 HydrophobicContact CD1-CE2 4.36Å
179	A	94.8	Very high	83.4	Confident	18 Å²	18	30.2 Å²	30.2	15%	0.149	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	144.2	-174.9	0	0	0	0	0	109.7	K116 L118 F183 V184	K116-A179 HydrophobicContact CD-CB 4.16Å; L118-A179 HydrophobicContact CD2-CB 3.84Å; A179-F183 WeakPolarHBondContact CA-O 3.26Å; A179-V184 HydrophobicContact CB-CG2 4.08Å
180	N	93.7	Very high	82.8	Confident	22 Å²	22	25.1 Å²	25.1	12%	0.118	16%	0.156	C	C	.	.			trans	-128.1	-169.5	166.5	70.1	17.2	0	0	0	108.7	R182 F183 L222 G223 S224	N180-R182 PolarHBondContact O-N 3.31Å; N180-R182 VanDerWaalsContact O-N 3.16Å; N180-R182 WeakPolarHBondContact OD1-CA 2.89Å; N180-R182 PolarHBondContact OD1-N 2.94Å; N180-F183 PolarHBondContact N-O 3.29Å; N180-F183 PolarHBondContact OD1-N 3.34Å; N180-F183 PolarHBondContact OD1-O 2.88Å; N180-L222 HydrophobicContact CB-CD2 4.15Å; N180-G223 PolarHBondContact ND2-O 3.45Å; N180-S224 PolarHBondContact ND2-O 3.44Å
181	S	91.6	Very high	83	Confident	24 Å²	24	27.9 Å²	27.9	17%	0.168	17%	0.167	C	C	.	.	S	Bend	trans	-73.4	2.9	-179.2	63	0	0	0	0	114.8	S120 Y121 R122	S120-S181 VanDerWaalsContact O-CB 3.3Å; S120-S181 WeakPolarHBondContact O-CB 3.46Å; Y121-S181 CarbonylContact C-O 2.94Å; Y121-S181 VanDerWaalsContact CA-O 3.26Å; Y121-S181 WeakPolarHBondContact CA-O 3.17Å; Y121-S181 WeakPolarHBondContact CD2-O 3.46Å; R122-S181 PolarHBondContact N-O 3.3Å
182	R	90.4	Very high	83.9	Confident	30 Å²	30	24.5 Å²	24.5	11%	0.113	14%	0.143	C	C	.	.	S	Bend	trans	-129.1	-34.3	-177.5	-63.7	-166.3	71.4	-166.8	-0.7	113.3	D127 N180 A197	D127-R182 IonicContact OD2-CZ 2.96Å; D127-R182 IonicContact OD2-NE 2.88Å; D127-R182 IonicContact OD2-NH2 3.21Å; D127-R182 PolarHBondContact OD2-NH2 2.98Å; N180-R182 PolarHBondContact O-N 3.31Å; N180-R182 VanDerWaalsContact O-N 3.16Å; N180-R182 WeakPolarHBondContact OD1-CA 2.89Å; N180-R182 PolarHBondContact OD1-N 2.94Å; R182-A197 VanDerWaalsContact O-CB 3.31Å; R182-A197 WeakPolarHBondContact O-CB 3.34Å; R182-A197 PolarHBondContact O-N 3.38Å
183	F	93	Very high	84.9	Confident	5 Å²	5	23.8 Å²	23.8	2%	0.022	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.3	-173.1	-52.3	-73.2	0	0	0	111.5	A179 N180 I194 I195 L203 L305	A179-F183 WeakPolarHBondContact CA-O 3.26Å; N180-F183 PolarHBondContact N-O 3.29Å; N180-F183 PolarHBondContact OD1-N 3.34Å; N180-F183 PolarHBondContact OD1-O 2.88Å; F183-I194 HydrophobicContact CD1-CG2 4.37Å; F183-I195 CarbonylContact C-O 3.58Å; F183-I195 WeakPolarHBondContact CA-O 3.5Å; F183-L203 HydrophobicContact CD1-CD1 3.95Å; F183-L203 HydrophobicContact CE1-CD1 3.82Å; F183-L305 HydrophobicContact CB-CD1 4.08Å; F183-L305 HydrophobicContact CD1-CB 4.27Å; F183-L305 HydrophobicContact CD1-CD1 4.24Å; F183-L305 HydrophobicContact CD2-CB 3.84Å; F183-L305 HydrophobicContact CD2-CD1 3.68Å; F183-L305 HydrophobicContact CD2-CG 4.43Å; F183-L305 HydrophobicContact CE1-CB 3.89Å; F183-L305 HydrophobicContact CE2-CB 3.43Å; F183-L305 VanDerWaalsContact CE2-CB 3.43Å; F183-L305 HydrophobicContact CE2-CD1 4.18Å; F183-L305 HydrophobicContact CE2-CG 4.46Å; F183-L305 HydrophobicContact CG-CB 4.25Å; F183-L305 HydrophobicContact CG-CD1 3.72Å; F183-L305 HydrophobicContact CZ-CB 3.46Å; F183-L305 VanDerWaalsContact CZ-CB 3.46Å; F183-L305 VanDerWaalsContact CZ-O 3.27Å; F183-L305 WeakPolarHBondContact CZ-O 3.34Å
184	V	94.3	Very high	86	Confident	3 Å²	3	21.1 Å²	21.1	2%	0.018	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.4	167.6	178.8	0	0	0	0	107.3	L118 I177 A179 V186 I195 A197 F200	L118-V184 HydrophobicContact CD2-CG2 4.23Å; I177-V184 HydrophobicContact CD1-CG1 3.94Å; I177-V184 HydrophobicContact CG1-CG1 4.12Å; A179-V184 HydrophobicContact CB-CG2 4.08Å; V184-V186 HydrophobicContact CG1-CG2 4.41Å; V184-I195 HydrophobicContact CB-CB 4.37Å; V184-I195 PolarHBondContact N-O 3.08Å; V184-I195 WeakPolarHBondContact O-CA 3.06Å; V184-I195 VanDerWaalsContact O-CB 3.31Å; V184-I195 WeakPolarHBondContact O-CB 3.36Å; V184-I195 PolarHBondContact O-N 2.88Å; V184-A197 HydrophobicContact CG2-CB 4.1Å; V184-F200 HydrophobicContact CG2-CE1 4.06Å
185	I	92.4	Very high	87.2	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.4	-179	-56.3	-178	0	0	0	108.3	I177 I178 T187 V192 R193 I194 L222 F227 L305	I177-I185 WeakPolarHBondContact CA-O 3.36Å; I178-I185 HydrophobicContact CD1-CB 4.31Å; I178-I185 HydrophobicContact CD1-CD1 4.37Å; I178-I185 HydrophobicContact CD1-CG2 4.5Å; I178-I185 HydrophobicContact CG1-CB 3.69Å; I178-I185 HydrophobicContact CG1-CD1 4.4Å; I178-I185 HydrophobicContact CG1-CG1 4.39Å; I178-I185 HydrophobicContact CG1-CG2 4.27Å; I178-I185 PolarHBondContact N-O 3.03Å; I178-I185 PolarHBondContact O-N 3.47Å; I185-T187 HydrophobicContact CG2-CG2 4.43Å; I185-V192 HydrophobicContact CG2-CG1 3.52Å; I185-R193 VanDerWaalsContact CA-O 3.31Å; I185-R193 WeakPolarHBondContact CA-O 3.3Å; I185-I194 HydrophobicContact CD1-CG1 4.3Å; I185-I194 HydrophobicContact CG1-CG1 4.22Å; I185-I194 HydrophobicContact CG1-CG2 4.46Å; I185-L222 HydrophobicContact CD1-CB 4.32Å; I185-L222 HydrophobicContact CD1-CD1 3.86Å; I185-L222 HydrophobicContact CD1-CD2 4.03Å; I185-L222 HydrophobicContact CD1-CG 4.29Å; I185-L222 HydrophobicContact CG1-CD2 4.27Å; I185-F227 HydrophobicContact CD1-CB 4.43Å; I185-F227 HydrophobicContact CD1-CD2 3.18Å; I185-F227 HydrophobicContact CD1-CE2 3.43Å; I185-F227 VanDerWaalsContact CD1-CE2 3.43Å; I185-F227 HydrophobicContact CD1-CG 3.86Å; I185-F227 HydrophobicContact CD1-CZ 4.31Å; I185-F227 HydrophobicContact CG2-CE2 4.09Å; I185-F227 HydrophobicContact CG2-CZ 4.39Å; I185-L305 HydrophobicContact CD1-CD1 4.16Å
186	V	90.4	Very high	88.1	Confident	5 Å²	5	20.9 Å²	20.9	3%	0.03	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.9	177.1	-177.5	0	0	0	0	107.6	L154 M174 V184 R193 I195	L154-V186 HydrophobicContact CD2-CG2 4.02Å; M174-V186 HydrophobicContact CG-CG1 3.78Å; M174-V186 HydrophobicContact SD-CG1 3.84Å; V184-V186 HydrophobicContact CG1-CG2 4.41Å; V186-R193 PolarHBondContact N-O 2.69Å; V186-R193 PolarHBondContact O-N 3.19Å; V186-I195 HydrophobicContact CG2-CD1 4.18Å
187	T	85.9	Confident	88.7	Confident	7 Å²	7	19.5 Å²	19.5	4%	0.043	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	150.4	173.3	67.7	0	0	0	0	109.7	G175 T176 I185 K191 V192 V220	G175-T187 WeakPolarHBondContact CA-O 3.15Å; G175-T187 PolarHBondContact N-O 2.9Å; T176-T187 PolarHBondContact N-OG1 3.31Å; T176-T187 PolarHBondContact O-N 3.5Å; T176-T187 PolarHBondContact O-OG1 3.05Å; T176-T187 PolarHBondContact OG1-OG1 3.43Å; I185-T187 HydrophobicContact CG2-CG2 4.43Å; T187-K191 CarbonylContact C-O 3.56Å; T187-V192 HydrophobicContact CG2-CG1 4.21Å; T187-V192 HydrophobicContact CG2-CG2 4.14Å; T187-V220 HydrophobicContact CG2-CG2 3.58Å
188	S	79.5	Confident	88.8	Confident	14 Å²	14	18.9 Å²	18.9	10%	0.098	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	-179.6	168.5	81.2	0	0	0	0	109.2	D172 T190 K191	D172-S188 PolarHBondContact OD2-OG 3.49Å; S188-T190 PolarHBondContact O-N 3.17Å; S188-T190 PolarHBondContact OG-N 3.13Å; S188-K191 PolarHBondContact N-O 3.46Å; S188-K191 PolarHBondContact OG-N 3.38Å; S188-K191 PolarHBondContact OG-O 3.11Å
189	S	73.1	Confident	88.8	Confident	42 Å²	42	18.2 Å²	18.2	29%	0.294	10%	0.103	S	C	.	.	S	Bend	trans	-61.3	-24.2	175.6	48.7	0	0	0	0	114.1	S173	S173-S189 PolarHBondContact O-N 3.26Å
190	T	75.3	Confident	88.7	Confident	68 Å²	68	17.9 Å²	17.9	42%	0.417	10%	0.098	S	C	.	.	S	Bend	trans	-125.2	-22	-172	48.5	0	0	0	0	112.8	D172 S188	D172-T190 PolarHBondContact OD1-OG1 3.03Å; D172-T190 PolarHBondContact OD2-OG1 2.86Å; D172-T190 VanDerWaalsContact OD2-OG1 3.13Å; S188-T190 PolarHBondContact O-N 3.17Å; S188-T190 PolarHBondContact OG-N 3.13Å
191	K	82.2	Confident	88.6	Confident	67 Å²	67	22.9 Å²	22.9	29%	0.291	12%	0.121	S	C	.	.			trans	-134.1	149.8	-170.5	-60.3	179.4	-179.6	175.8	0	112.3	T187 S188 V205 L206 T207	T187-K191 CarbonylContact C-O 3.56Å; S188-K191 PolarHBondContact N-O 3.46Å; S188-K191 PolarHBondContact OG-N 3.38Å; S188-K191 PolarHBondContact OG-O 3.11Å; K191-V205 HydrophobicContact CB-CG1 4.13Å; K191-V205 HydrophobicContact CD-CG1 4.08Å; K191-V205 HydrophobicContact CG-CG1 4.31Å; K191-L206 CarbonylContact C-O 3.58Å; K191-L206 WeakPolarHBondContact CA-O 3.13Å; K191-T207 HydrophobicContact CD-CG2 4.18Å; K191-T207 HydrophobicContact CG-CG2 4.19Å
192	V	87.4	Confident	88.4	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.8	163.7	-178.9	0	0	0	0	108	I185 T187 V205 L206 L211 F227	I185-V192 HydrophobicContact CG2-CG1 3.52Å; T187-V192 HydrophobicContact CG2-CG1 4.21Å; T187-V192 HydrophobicContact CG2-CG2 4.14Å; V192-V205 CarbonylContact O-C 3.57Å; V192-V205 WeakPolarHBondContact O-CA 3.41Å; V192-L206 HydrophobicContact CB-CB 4.06Å; V192-L206 HydrophobicContact CB-CD1 4Å; V192-L206 HydrophobicContact CB-CG 4.02Å; V192-L206 HydrophobicContact CG1-CD1 4.37Å; V192-L206 PolarHBondContact N-O 2.67Å; V192-L206 PolarHBondContact O-N 2.72Å; V192-L211 HydrophobicContact CG2-CD1 4.01Å; V192-F227 HydrophobicContact CG1-CE1 4.42Å; V192-F227 HydrophobicContact CG1-CZ 3.88Å
193	R	88.8	Confident	88.3	Confident	34 Å²	34	27.9 Å²	27.9	13%	0.128	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.3	179.6	-61.8	174.3	-178.7	-158.4	13.9	108.9	R169 I185 V186 I195 E202 V205	R169-R193 PolarHBondContact O-NH1 3.42Å; R169-R193 PolarHBondContact O-NH2 3.17Å; I185-R193 VanDerWaalsContact CA-O 3.31Å; I185-R193 WeakPolarHBondContact CA-O 3.3Å; V186-R193 PolarHBondContact N-O 2.69Å; V186-R193 PolarHBondContact O-N 3.19Å; R193-I195 HydrophobicContact CB-CG1 4.46Å; R193-E202 VanDerWaalsContact CD-OE2 3.24Å; R193-E202 WeakPolarHBondContact CD-OE2 3.37Å; R193-E202 IonicContact CZ-OE2 3.57Å; R193-E202 IonicContact NE-OE2 3.98Å; R193-E202 IonicContact NH1-OE2 3.83Å; R193-V205 HydrophobicContact CG-CG1 4.16Å; R193-V205 HydrophobicContact CG-CG2 4.23Å
194	I	91.7	Very high	87.9	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.5	175.4	-60.3	159	0	0	0	107	F183 I185 L203 I204 F227 I303 L305	F183-I194 HydrophobicContact CD1-CG2 4.37Å; I185-I194 HydrophobicContact CD1-CG1 4.3Å; I185-I194 HydrophobicContact CG1-CG1 4.22Å; I185-I194 HydrophobicContact CG1-CG2 4.46Å; I194-L203 WeakPolarHBondContact O-CB 3.3Å; I194-L203 PolarHBondContact O-N 2.71Å; I194-I204 HydrophobicContact CB-CB 4.25Å; I194-I204 HydrophobicContact CD1-CB 4.09Å; I194-I204 HydrophobicContact CD1-CD1 4.04Å; I194-I204 HydrophobicContact CD1-CG2 4.29Å; I194-I204 PolarHBondContact N-O 2.89Å; I194-I204 PolarHBondContact O-N 2.79Å; I194-F227 HydrophobicContact CD1-CD1 4.2Å; I194-F227 HydrophobicContact CD1-CE1 4.35Å; I194-I303 HydrophobicContact CD1-CD1 4.33Å; I194-L305 HydrophobicContact CD1-CD2 3.8Å; I194-L305 HydrophobicContact CG2-CD1 3.99Å; I194-L305 HydrophobicContact CG2-CD2 4.09Å
195	I	92.8	Very high	87.4	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.5	-170.8	-60.4	171.7	0	0	0	108.3	I168 F183 V184 V186 R193 F200 E201	I168-I195 HydrophobicContact CD1-CD1 3.71Å; I168-I195 HydrophobicContact CG1-CD1 4.19Å; I168-I195 HydrophobicContact CG2-CD1 3.87Å; F183-I195 CarbonylContact C-O 3.58Å; F183-I195 WeakPolarHBondContact CA-O 3.5Å; V184-I195 HydrophobicContact CB-CB 4.37Å; V184-I195 PolarHBondContact N-O 3.08Å; V184-I195 WeakPolarHBondContact O-CA 3.06Å; V184-I195 VanDerWaalsContact O-CB 3.31Å; V184-I195 WeakPolarHBondContact O-CB 3.36Å; V184-I195 PolarHBondContact O-N 2.88Å; V186-I195 HydrophobicContact CG2-CD1 4.18Å; R193-I195 HydrophobicContact CB-CG1 4.46Å; I195-F200 VanDerWaalsContact CG2-C 3.46Å; I195-F200 HydrophobicContact CG2-CB 4.19Å; I195-F200 HydrophobicContact CG2-CD1 4.13Å; I195-F200 WeakPolarHBondContact CG2-O 3.32Å; I195-E201 WeakPolarHBondContact CA-O 3.22Å
196	H	92.3	Very high	87	Confident	12 Å²	12	30.9 Å²	30.9	6%	0.056	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	128.6	174.9	-175	-118.9	0	0	0	111	Y121 T129 G198 S199 F200 E201 L203	Y121-H196 AromaticContact CE2-CE1 3.59Å; Y121-H196 AromaticContact CE2-NE2 3.11Å; Y121-H196 WeakPolarHBondContact CE2-NE2 3.41Å; Y121-H196 AromaticContact CZ-CE1 3.7Å; Y121-H196 AromaticContact CZ-NE2 3.44Å; Y121-H196 PolarHBondContact OH-NE2 3.3Å; T129-H196 PolarHBondContact OG1-CE1 3.44Å; H196-G198 VanDerWaalsContact C-N 3.29Å; H196-G198 PolarHBondContact O-N 3.17Å; H196-S199 PolarHBondContact ND1-N 3.06Å; H196-S199 VanDerWaalsContact ND1-N 3.16Å; H196-S199 PolarHBondContact ND1-OG 2.89Å; H196-F200 WeakPolarHBondContact O-CA 3.42Å; H196-F200 PolarHBondContact O-N 3.18Å; H196-E201 PolarHBondContact N-O 3.38Å; H196-L203 HydrophobicContact CB-CD1 4.01Å; H196-L203 HydrophobicContact CB-CD2 4.15Å; H196-L203 HydrophobicContact CB-CG 4.07Å
197	A	92.6	Very high	86.2	Confident	2 Å²	2	34 Å²	34	2%	0.017	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-17.8	-174.3	0	0	0	0	0	114.3	Y121 R137 R182 V184	Y121-A197 HydrophobicContact CD2-CB 4.27Å; R137-A197 PolarHBondContact NH2-O 3.13Å; R182-A197 VanDerWaalsContact O-CB 3.31Å; R182-A197 WeakPolarHBondContact O-CB 3.34Å; R182-A197 PolarHBondContact O-N 3.38Å; V184-A197 HydrophobicContact CG2-CB 4.1Å
198	G	91.1	Very high	84.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-33.4	-179.9	0	0	0	0	0	114.8	A132 H196	A132-G198 PolarHBondContact N-O 2.87Å; H196-G198 VanDerWaalsContact C-N 3.29Å; H196-G198 PolarHBondContact O-N 3.17Å
199	S	91.3	Very high	83	Confident	26 Å²	26	46.9 Å²	46.9	18%	0.182	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-15	-179.7	58.8	0	0	0	0	113.7	H196 E201	H196-S199 PolarHBondContact ND1-N 3.06Å; H196-S199 VanDerWaalsContact ND1-N 3.16Å; H196-S199 PolarHBondContact ND1-OG 2.89Å; S199-E201 PolarHBondContact O-N 3.21Å; S199-E201 PolarHBondContact OG-OE2 3.18Å
200	F	93.4	Very high	81.7	Confident	10 Å²	10	45.4 Å²	45.4	4%	0.044	23%	0.229	C	C	.	.			trans	55.1	21.8	-168.7	-62.2	-68.2	0	0	0	114.7	L118 F133 L139 L156 V184 I195 H196	L118-F200 HydrophobicContact CD1-CE1 3.83Å; L118-F200 HydrophobicContact CD1-CZ 3.82Å; F133-F200 HydrophobicContact CB-CE2 4.36Å; F133-F200 HydrophobicContact CD1-CE2 4.5Å; F133-F200 AromaticContact CD2-CD2 3.49Å; F133-F200 HydrophobicContact CD2-CD2 3.49Å; F133-F200 VanDerWaalsContact CD2-CD2 3.49Å; F133-F200 AromaticContact CD2-CE2 3.7Å; F133-F200 HydrophobicContact CD2-CE2 3.7Å; F133-F200 HydrophobicContact CE1-CD2 4.46Å; F133-F200 AromaticContact CE2-CD2 3.44Å; F133-F200 HydrophobicContact CE2-CD2 3.44Å; F133-F200 VanDerWaalsContact CE2-CD2 3.44Å; F133-F200 HydrophobicContact CE2-CE2 4.13Å; F133-F200 HydrophobicContact CE2-CG 4.43Å; F133-F200 HydrophobicContact CG-CD2 4.07Å; F133-F200 AromaticContact CG-CE2 3.92Å; F133-F200 HydrophobicContact CG-CE2 3.92Å; F133-F200 AromaticContact CZ-CD2 3.94Å; F133-F200 HydrophobicContact CZ-CD2 3.94Å; L139-F200 HydrophobicContact CD1-CE2 3.54Å; L139-F200 HydrophobicContact CD1-CZ 3.65Å; L156-F200 HydrophobicContact CD1-CD1 3.53Å; L156-F200 HydrophobicContact CD1-CD2 3.74Å; L156-F200 HydrophobicContact CD1-CE1 3.39Å; L156-F200 HydrophobicContact CD1-CE2 3.63Å; L156-F200 HydrophobicContact CD1-CG 3.71Å; L156-F200 HydrophobicContact CD1-CZ 3.46Å; L156-F200 VanDerWaalsContact CD1-CZ 3.46Å; V184-F200 HydrophobicContact CG2-CE1 4.06Å; I195-F200 VanDerWaalsContact CG2-C 3.46Å; I195-F200 HydrophobicContact CG2-CB 4.19Å; I195-F200 HydrophobicContact CG2-CD1 4.13Å; I195-F200 WeakPolarHBondContact CG2-O 3.32Å; H196-F200 WeakPolarHBondContact O-CA 3.42Å; H196-F200 PolarHBondContact O-N 3.18Å
201	E	90.9	Very high	80.5	Confident	127 Å²	127	44.1 Å²	44.1	59%	0.593	22%	0.219	S	C	*	.			trans	-74.9	136.9	170.6	-68.6	169.5	152.1	0	0	110.3	I195 H196 S199 L203	I195-E201 WeakPolarHBondContact CA-O 3.22Å; H196-E201 PolarHBondContact N-O 3.38Å; S199-E201 PolarHBondContact O-N 3.21Å; S199-E201 PolarHBondContact OG-OE2 3.18Å; E201-L203 PolarHBondContact O-N 3.38Å
202	E	88.8	Confident	78.6	Confident	97 Å²	97	43.6 Å²	43.6	45%	0.453	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	113.8	175.4	-170.1	171.5	86.2	0	0	108.9	R193 V205	R193-E202 VanDerWaalsContact CD-OE2 3.24Å; R193-E202 WeakPolarHBondContact CD-OE2 3.37Å; R193-E202 IonicContact CZ-OE2 3.57Å; R193-E202 IonicContact NE-OE2 3.98Å; R193-E202 IonicContact NH1-OE2 3.83Å; E202-V205 HydrophobicContact CG-CG2 3.71Å; E202-V205 WeakPolarHBondContact OE1-CG2 3.25Å
203	L	87	Confident	76.7	Confident	63 Å²	63	44.6 Å²	44.6	33%	0.33	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-48.5	-178.7	-61.8	177.5	0	0	0	110.6	F183 I194 H196 E201 P309	F183-L203 HydrophobicContact CD1-CD1 3.95Å; F183-L203 HydrophobicContact CE1-CD1 3.82Å; I194-L203 WeakPolarHBondContact O-CB 3.3Å; I194-L203 PolarHBondContact O-N 2.71Å; H196-L203 HydrophobicContact CB-CD1 4.01Å; H196-L203 HydrophobicContact CB-CD2 4.15Å; H196-L203 HydrophobicContact CB-CG 4.07Å; E201-L203 PolarHBondContact O-N 3.38Å; L203-P309 HydrophobicContact CB-CB 4.5Å; L203-P309 HydrophobicContact CD1-CG 4.13Å
204	I	84.1	Confident	74.6	Confident	19 Å²	19	46.4 Å²	46.4	10%	0.097	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	138.9	-171.4	-56.1	151.4	0	0	0	108.8	I194 L206 L305 F308 P309 L315	I194-I204 HydrophobicContact CB-CB 4.25Å; I194-I204 HydrophobicContact CD1-CB 4.09Å; I194-I204 HydrophobicContact CD1-CD1 4.04Å; I194-I204 HydrophobicContact CD1-CG2 4.29Å; I194-I204 PolarHBondContact N-O 2.89Å; I194-I204 PolarHBondContact O-N 2.79Å; I204-L206 HydrophobicContact CG2-CD2 3.74Å; I204-L305 HydrophobicContact CD1-CD2 4.46Å; I204-F308 HydrophobicContact CD1-CD1 3.45Å; I204-F308 VanDerWaalsContact CD1-CD1 3.45Å; I204-F308 HydrophobicContact CD1-CE1 3.99Å; I204-F308 HydrophobicContact CG1-CD1 4.26Å; I204-F308 HydrophobicContact CG1-CE1 4.46Å; I204-F308 HydrophobicContact CG2-CE1 4.46Å; I204-P309 HydrophobicContact CD1-CG 4.11Å; I204-L315 HydrophobicContact CG2-CD1 3.56Å
205	V	85.7	Confident	72.6	Confident	45 Å²	45	50.2 Å²	50.2	27%	0.273	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119	167.8	-171.5	0	0	0	0	109.4	K191 V192 R193 E202 T207	K191-V205 HydrophobicContact CB-CG1 4.13Å; K191-V205 HydrophobicContact CD-CG1 4.08Å; K191-V205 HydrophobicContact CG-CG1 4.31Å; V192-V205 CarbonylContact O-C 3.57Å; V192-V205 WeakPolarHBondContact O-CA 3.41Å; R193-V205 HydrophobicContact CG-CG1 4.16Å; R193-V205 HydrophobicContact CG-CG2 4.23Å; E202-V205 HydrophobicContact CG-CG2 3.71Å; E202-V205 WeakPolarHBondContact OE1-CG2 3.25Å; V205-T207 HydrophobicContact CB-CG2 4.32Å; V205-T207 HydrophobicContact CG1-CG2 3.59Å
206	L	82.3	Confident	70.6	Confident	7 Å²	7	52.1 Å²	52.1	4%	0.037	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	113.5	169.1	-42.6	-172.6	0	0	0	107.2	K191 V192 I204 F227 Y229 L315	K191-L206 CarbonylContact C-O 3.58Å; K191-L206 WeakPolarHBondContact CA-O 3.13Å; V192-L206 HydrophobicContact CB-CB 4.06Å; V192-L206 HydrophobicContact CB-CD1 4Å; V192-L206 HydrophobicContact CB-CG 4.02Å; V192-L206 HydrophobicContact CG1-CD1 4.37Å; V192-L206 PolarHBondContact N-O 2.67Å; V192-L206 PolarHBondContact O-N 2.72Å; I204-L206 HydrophobicContact CG2-CD2 3.74Å; L206-F227 HydrophobicContact CD1-CE1 3.99Å; L206-Y229 HydrophobicContact CD1-CD1 4.22Å; L206-Y229 HydrophobicContact CD1-CE1 4.38Å; L206-Y229 HydrophobicContact CD1-CG 4.31Å; L206-L315 HydrophobicContact CD2-CD1 3.15Å; L206-L315 HydrophobicContact CD2-CD2 3.57Å; L206-L315 HydrophobicContact CD2-CG 3.95Å
207	T	73.3	Confident	68.9	Low	69 Å²	69	53.8 Å²	53.8	42%	0.423	28%	0.278	S	S	.	.			trans	-107.3	-35.3	-172.8	50.2	0	0	0	0	115.6	K191 V205	K191-T207 HydrophobicContact CD-CG2 4.18Å; K191-T207 HydrophobicContact CG-CG2 4.19Å; V205-T207 HydrophobicContact CB-CG2 4.32Å; V205-T207 HydrophobicContact CG1-CG2 3.59Å
208	E	53.6	Low	67.6	Low	159 Å²	159	56.7 Å²	56.7	74%	0.743	29%	0.293	S	S	*	.	S	Bend	trans	-141.7	4.5	-159	-71.7	-173.7	174.3	0	0	118.1
209	H	45.3	Very low	67.1	Low	133 Å²	133	56.8 Å²	56.8	62%	0.616	29%	0.294	S	S	*	.	S	Bend	trans	-131.6	-0.1	-172	-68.5	-61.3	0	0	0	119.6	S232	H209-S232 VanDerWaalsContact O-CB 3.22Å; H209-S232 WeakPolarHBondContact O-CB 3.18Å; H209-S232 PolarHBondContact O-OG 2.76Å
210	S	45.9	Very low	67.1	Low	11 Å²	11	56 Å²	56	8%	0.077	29%	0.288	C	S	.	.	S	Bend	trans	-130.7	-26.3	-165.2	33.7	0	0	0	0	116.9	S212 Y229 P230	S210-S212 VanDerWaalsContact C-N 3.27Å; S210-S212 PolarHBondContact O-N 3.24Å; S210-Y229 VanDerWaalsContact CB-CD2 3.44Å; S210-P230 CarbonylContact C-O 3.56Å; S210-P230 WeakPolarHBondContact CA-O 3.5Å; S210-P230 WeakPolarHBondContact CB-O 3.44Å; S210-P230 CarbonylContact O-C 3.57Å
211	L	49.6	Very low	67.1	Low	41 Å²	41	55.7 Å²	55.7	22%	0.215	29%	0.288	C	S	.	.			trans	-89.3	63	179	-59.7	172.3	0	0	0	110.7	V192 N213 S214 P230	V192-L211 HydrophobicContact CG2-CD1 4.01Å; L211-N213 CarbonylContact O-C 3.54Å; L211-N213 PolarHBondContact O-N 3.04Å; L211-S214 PolarHBondContact O-N 2.92Å; L211-P230 HydrophobicContact CD2-CG 4.33Å
212	S	42.7	Very low	67.3	Low	56 Å²	56	51.2 Å²	51.2	39%	0.392	27%	0.267	S	S	.	.	S	Bend	trans	-54.3	-10.2	170.9	58.5	0	0	0	0	113.1	S210	S210-S212 VanDerWaalsContact C-N 3.27Å; S210-S212 PolarHBondContact O-N 3.24Å
213	N	48.7	Very low	67.5	Low	23 Å²	23	47 Å²	47	12%	0.123	25%	0.25	C	S	.	.			trans	-125.5	83.6	167.9	-63.5	-50.1	0	0	0	111.9	L211 Q215 Y216 K336 V337	L211-N213 CarbonylContact O-C 3.54Å; L211-N213 PolarHBondContact O-N 3.04Å; N213-Q215 PolarHBondContact O-N 2.85Å; N213-Y216 HydrophobicContact CB-CD2 3.17Å; N213-Y216 HydrophobicContact CB-CE2 3.66Å; N213-Y216 HydrophobicContact CB-CG 3.99Å; N213-Y216 WeakPolarHBondContact ND2-CD2 3.43Å; N213-Y216 PolarHBondContact O-N 2.87Å; N213-K336 VanDerWaalsContact ND2-CB 3.31Å; N213-K336 WeakPolarHBondContact ND2-CB 3.41Å; N213-V337 PolarHBondContact ND2-O 3.47Å
214	S	44.7	Very low	67.5	Low	73 Å²	73	47.1 Å²	47.1	51%	0.51	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-8.9	165.9	59.8	0	0	0	0	113.8	L211	L211-S214 PolarHBondContact O-N 2.92Å
215	Q	49.5	Very low	67.6	Low	79 Å²	79	48.4 Å²	48.4	37%	0.369	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-16.3	177.3	-62.8	-177.8	-2	0	0	114.2	N213	N213-Q215 PolarHBondContact O-N 2.85Å
216	Y	50.9	Low	68	Low	43 Å²	43	47.7 Å²	47.7	17%	0.169	26%	0.257	C	S	.	.			trans	-121.4	99.6	-169.8	-54.7	-42.9	0	0	0	110.9	N213 C219 K354	N213-Y216 HydrophobicContact CB-CD2 3.17Å; N213-Y216 HydrophobicContact CB-CE2 3.66Å; N213-Y216 HydrophobicContact CB-CG 3.99Å; N213-Y216 WeakPolarHBondContact ND2-CD2 3.43Å; N213-Y216 PolarHBondContact O-N 2.87Å; Y216-C219 WeakPolarHBondContact CB-SG 3.33Å; Y216-C219 WeakPolarHBondContact O-CB 3.46Å; Y216-C219 PolarHBondContact O-SG 3.25Å; Y216-K354 HydrophobicContact CE2-CD 4.2Å; Y216-K354 HydrophobicContact CE2-CG 4.13Å; Y216-K354 WeakPolarHBondContact OH-CD 3.42Å; Y216-K354 WeakPolarHBondContact OH-CE 3.36Å
217	R	56	Low	68.6	Low	46 Å²	46	47.3 Å²	47.3	17%	0.174	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-19	-171.6	-68	176.5	162	-154.2	-9.8	114.6	S173 M174 G175 T176 C219	S173-R217 PolarHBondContact O-NH2 3.28Å; S173-R217 PolarHBondContact OG-NH2 3.39Å; M174-R217 PolarHBondContact O-NH1 2.74Å; M174-R217 PolarHBondContact O-NH2 3.16Å; G175-R217 VanDerWaalsContact CA-CZ 3.41Å; T176-R217 HydrophobicContact CG2-CB 3.86Å; T176-R217 PolarHBondContact OG1-O 2.89Å; T176-R217 VanDerWaalsContact OG1-O 3.05Å; R217-C219 PolarHBondContact O-N 3.1Å
218	D	64.3	Low	69.6	Low	63 Å²	63	44 Å²	44	34%	0.337	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	21.5	174.6	-62	-38.7	0	0	0	112.7	T176 V220 C339 M340	T176-D218 WeakPolarHBondContact CG2-OD1 3.35Å; D218-V220 PolarHBondContact O-N 3.36Å; D218-C339 VanDerWaalsContact O-CA 3.3Å; D218-C339 WeakPolarHBondContact O-CA 3.3Å; D218-M340 PolarHBondContact O-N 2.87Å
219	C	80.3	Confident	71.4	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.014	20%	0.201	C	C	.	.			trans	-71.9	-10.1	-180	-82.8	0	0	0	0	114.2	Y216 R217 P230 S338 M340	Y216-C219 WeakPolarHBondContact CB-SG 3.33Å; Y216-C219 WeakPolarHBondContact O-CB 3.46Å; Y216-C219 PolarHBondContact O-SG 3.25Å; R217-C219 PolarHBondContact O-N 3.1Å; C219-P230 HydrophobicContact CB-CG 3.87Å; C219-P230 VanDerWaalsContact O-CD 3.3Å; C219-P230 WeakPolarHBondContact O-CD 3.03Å; C219-S338 VanDerWaalsContact SG-C 3.53Å; C219-S338 PolarHBondContact SG-O 3.22Å; C219-M340 WeakPolarHBondContact O-CE 3.46Å; C219-M340 WeakPolarHBondContact O-CG 3.39Å
220	V	91.4	Very high	73.6	Confident	10 Å²	10	30.6 Å²	30.6	6%	0.061	17%	0.173	C	C	.	.			trans	-115.2	147.5	-174.5	-60.4	0	0	0	0	110.9	I178 T187 D218 F227 A228	I178-V220 HydrophobicContact CD1-CG2 3.85Å; T187-V220 HydrophobicContact CG2-CG2 3.58Å; D218-V220 PolarHBondContact O-N 3.36Å; V220-F227 HydrophobicContact CB-CE2 3.7Å; V220-F227 HydrophobicContact CB-CZ 3.85Å; V220-F227 HydrophobicContact CG1-CE2 4.25Å; V220-F227 HydrophobicContact CG1-CZ 3.85Å; V220-F227 HydrophobicContact CG2-CE2 4.18Å; V220-F227 HydrophobicContact CG2-CZ 4.5Å; V220-A228 WeakPolarHBondContact CA-O 3.37Å
221	A	94.5	Very high	75.6	Confident	4 Å²	4	30.1 Å²	30.1	3%	0.033	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.9	176.5	0	0	0	0	0	110.7	F227 A228 M340 F342 L349	A221-F227 WeakPolarHBondContact O-CA 3.43Å; A221-F227 WeakPolarHBondContact O-CD2 3.49Å; A221-A228 HydrophobicContact CB-CB 4.41Å; A221-A228 PolarHBondContact N-O 2.84Å; A221-A228 PolarHBondContact O-N 2.94Å; A221-M340 HydrophobicContact CB-CB 4.44Å; A221-M340 HydrophobicContact CB-CG 3.84Å; A221-M340 HydrophobicContact CB-SD 4.18Å; A221-F342 HydrophobicContact CB-CD2 3.57Å; A221-F342 HydrophobicContact CB-CE2 4Å; A221-F342 HydrophobicContact CB-CG 4.42Å; A221-F342 WeakPolarHBondContact O-CE2 2.99Å; A221-L349 HydrophobicContact CB-CD1 3.94Å
222	L	95.2	Very high	77.1	Confident	33 Å²	33	30.1 Å²	30.1	17%	0.173	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.8	173.7	178.5	59.4	0	0	0	108.9	I178 N180 I185 F227 L305	I178-L222 HydrophobicContact CB-CB 4.46Å; I178-L222 HydrophobicContact CD1-CB 3.53Å; I178-L222 HydrophobicContact CG1-CB 3.95Å; I178-L222 HydrophobicContact CG1-CD2 4.18Å; N180-L222 HydrophobicContact CB-CD2 4.15Å; I185-L222 HydrophobicContact CD1-CB 4.32Å; I185-L222 HydrophobicContact CD1-CD1 3.86Å; I185-L222 HydrophobicContact CD1-CD2 4.03Å; I185-L222 HydrophobicContact CD1-CG 4.29Å; I185-L222 HydrophobicContact CG1-CD2 4.27Å; L222-F227 HydrophobicContact CD1-CB 4.48Å; L222-L305 HydrophobicContact CD1-CD1 4.01Å
223	G	93.5	Very high	79	Confident	9 Å²	9	32.5 Å²	32.5	9%	0.093	18%	0.179	C	C	.	.			trans	-84.5	-158.9	168.7	0	0	0	0	0	111.6	N180 W226 F342	N180-G223 PolarHBondContact ND2-O 3.45Å; G223-W226 PolarHBondContact N-O 3.01Å; G223-F342 VanDerWaalsContact N-CD2 3.35Å
224	S	86.8	Confident	80.8	Confident	65 Å²	65	33.3 Å²	33.3	46%	0.455	18%	0.183	S	C	.	.	S	Bend	trans	-70.8	-37.1	173.6	50.7	0	0	0	0	112.3	N180	N180-S224 PolarHBondContact ND2-O 3.44Å
225	T	85	Confident	82.7	Confident	46 Å²	46	31.6 Å²	31.6	28%	0.282	17%	0.167	S	C	.	.	S	Bend	trans	-128.7	-36.2	179.4	53.2	0	0	0	0	112.9	L305	T225-L305 PolarHBondContact O-N 2.88Å
226	W	94	Very high	84.4	Confident	29 Å²	29	36.3 Å²	36.3	11%	0.11	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	147.5	-174.2	-60.3	-19.4	0	0	0	113.1	G223 I302 I303 V326 F342 G346 V364 P366	G223-W226 PolarHBondContact N-O 3.01Å; W226-I302 HydrophobicContact CB-CG2 3.77Å; W226-I302 HydrophobicContact CD2-CG2 4.4Å; W226-I302 HydrophobicContact CE3-CG2 4.44Å; W226-I302 HydrophobicContact CG-CG2 4.15Å; W226-I303 WeakPolarHBondContact CA-O 3.44Å; W226-V326 HydrophobicContact CD2-CG1 4.13Å; W226-V326 HydrophobicContact CD2-CG2 4.47Å; W226-V326 HydrophobicContact CE3-CG1 4.44Å; W226-V326 HydrophobicContact CG-CG2 4.31Å; W226-V326 HydrophobicContact CH2-CG1 4.27Å; W226-V326 HydrophobicContact CZ2-CG1 3.91Å; W226-F342 HydrophobicContact CB-CZ 4.11Å; W226-F342 HydrophobicContact CE3-CE1 4.38Å; W226-G346 WeakPolarHBondContact CZ3-O 3.18Å; W226-V364 HydrophobicContact CE3-CG1 4.4Å; W226-V364 HydrophobicContact CH2-CB 4.49Å; W226-V364 HydrophobicContact CH2-CG1 4.19Å; W226-V364 HydrophobicContact CZ3-CB 3.82Å; W226-V364 HydrophobicContact CZ3-CG1 3.78Å; W226-P366 HydrophobicContact CH2-CB 4.15Å; W226-P366 HydrophobicContact CH2-CG 3.74Å; W226-P366 HydrophobicContact CZ2-CB 3.92Å; W226-P366 HydrophobicContact CZ2-CG 3.71Å
227	F	94.8	Very high	85.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.7	172.7	174.4	-110.3	0	0	0	109.6	I178 I185 V192 I194 L206 V220 A221 L222 Y229 I302 I303 L305	I178-F227 HydrophobicContact CD1-CE2 4.36Å; I185-F227 HydrophobicContact CD1-CB 4.43Å; I185-F227 HydrophobicContact CD1-CD2 3.18Å; I185-F227 HydrophobicContact CD1-CE2 3.43Å; I185-F227 VanDerWaalsContact CD1-CE2 3.43Å; I185-F227 HydrophobicContact CD1-CG 3.86Å; I185-F227 HydrophobicContact CD1-CZ 4.31Å; I185-F227 HydrophobicContact CG2-CE2 4.09Å; I185-F227 HydrophobicContact CG2-CZ 4.39Å; V192-F227 HydrophobicContact CG1-CE1 4.42Å; V192-F227 HydrophobicContact CG1-CZ 3.88Å; I194-F227 HydrophobicContact CD1-CD1 4.2Å; I194-F227 HydrophobicContact CD1-CE1 4.35Å; L206-F227 HydrophobicContact CD1-CE1 3.99Å; V220-F227 HydrophobicContact CB-CE2 3.7Å; V220-F227 HydrophobicContact CB-CZ 3.85Å; V220-F227 HydrophobicContact CG1-CE2 4.25Å; V220-F227 HydrophobicContact CG1-CZ 3.85Å; V220-F227 HydrophobicContact CG2-CE2 4.18Å; V220-F227 HydrophobicContact CG2-CZ 4.5Å; A221-F227 WeakPolarHBondContact O-CA 3.43Å; A221-F227 WeakPolarHBondContact O-CD2 3.49Å; L222-F227 HydrophobicContact CD1-CB 4.48Å; F227-Y229 AromaticContact CD1-CD1 3.9Å; F227-Y229 HydrophobicContact CD1-CD1 3.9Å; F227-Y229 AromaticContact CE1-CD1 3.63Å; F227-Y229 HydrophobicContact CE1-CD1 3.63Å; F227-Y229 HydrophobicContact CE1-CG 4.09Å; F227-I302 CarbonylContact O-C 3.57Å; F227-I302 WeakPolarHBondContact O-CA 3.47Å; F227-I303 HydrophobicContact CB-CG1 4.04Å; F227-I303 HydrophobicContact CD1-CD1 3.96Å; F227-I303 HydrophobicContact CD1-CG1 3.99Å; F227-I303 PolarHBondContact N-O 2.93Å; F227-I303 PolarHBondContact O-N 3.41Å; F227-L305 HydrophobicContact CB-CD1 3.73Å; F227-L305 HydrophobicContact CB-CD2 3.94Å; F227-L305 HydrophobicContact CB-CG 3.74Å; F227-L305 HydrophobicContact CG-CD1 4.47Å
228	A	94.9	Very high	87.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.3	178.1	0	0	0	0	0	110.3	V220 A221 V300 T301 I302 M340 F342 L349	V220-A228 WeakPolarHBondContact CA-O 3.37Å; A221-A228 HydrophobicContact CB-CB 4.41Å; A221-A228 PolarHBondContact N-O 2.84Å; A221-A228 PolarHBondContact O-N 2.94Å; A228-V300 HydrophobicContact CB-CG1 4.27Å; A228-T301 WeakPolarHBondContact CA-O 3.26Å; A228-I302 HydrophobicContact CB-CG1 3.97Å; A228-M340 HydrophobicContact CB-SD 3.75Å; A228-F342 HydrophobicContact CB-CE2 3.6Å; A228-F342 HydrophobicContact CB-CZ 3.74Å; A228-L349 HydrophobicContact CB-CD1 4.06Å; A228-L349 HydrophobicContact CB-CD2 3.96Å
229	Y	92.2	Very high	88.5	Confident	4 Å²	4	33.4 Å²	33.4	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.5	177.4	67.5	-92	0	0	0	110.5	L206 S210 F227 T301 I303	L206-Y229 HydrophobicContact CD1-CD1 4.22Å; L206-Y229 HydrophobicContact CD1-CE1 4.38Å; L206-Y229 HydrophobicContact CD1-CG 4.31Å; S210-Y229 VanDerWaalsContact CB-CD2 3.44Å; F227-Y229 AromaticContact CD1-CD1 3.9Å; F227-Y229 HydrophobicContact CD1-CD1 3.9Å; F227-Y229 AromaticContact CE1-CD1 3.63Å; F227-Y229 HydrophobicContact CE1-CD1 3.63Å; F227-Y229 HydrophobicContact CE1-CG 4.09Å; Y229-T301 HydrophobicContact CE1-CG2 3.88Å; Y229-T301 PolarHBondContact N-O 2.83Å; Y229-T301 PolarHBondContact O-N 3.13Å; Y229-T301 WeakPolarHBondContact OH-CG2 3.39Å; Y229-I303 HydrophobicContact CE1-CD1 4.47Å; Y229-I303 HydrophobicContact CE1-CG2 4.21Å
230	P	91	Very high	89	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.032	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	138.2	177.5	31.9	-35.3	0	0	0	109.5	S210 L211 C219 V299 V337	S210-P230 CarbonylContact C-O 3.56Å; S210-P230 WeakPolarHBondContact CA-O 3.5Å; S210-P230 WeakPolarHBondContact CB-O 3.44Å; S210-P230 CarbonylContact O-C 3.57Å; L211-P230 HydrophobicContact CD2-CG 4.33Å; C219-P230 HydrophobicContact CB-CG 3.87Å; C219-P230 VanDerWaalsContact O-CD 3.3Å; C219-P230 WeakPolarHBondContact O-CD 3.03Å; P230-V299 CarbonylContact C-O 3.4Å; P230-V299 VanDerWaalsContact CA-O 3.28Å; P230-V299 WeakPolarHBondContact CA-O 3.27Å; P230-V337 HydrophobicContact CB-CB 4.25Å
231	D	87.2	Confident	88.8	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.011	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	154.8	174	-138.6	-51.7	0	0	0	111.1	H235 V299 T301	D231-H235 IonicContact OD1-NE2 2.67Å; D231-V299 HydrophobicContact CB-CB 3.96Å; D231-V299 HydrophobicContact CB-CG1 3.77Å; D231-V299 PolarHBondContact N-O 3.37Å; D231-T301 PolarHBondContact OD2-OG1 3.44Å
232	S	81.3	Confident	88.4	Confident	41 Å²	41	37.2 Å²	37.2	29%	0.287	20%	0.198	S	C	.	.	S	Bend	trans	-75.1	-33.9	177.5	55.2	0	0	0	0	111.6	H209 K336	H209-S232 VanDerWaalsContact O-CB 3.22Å; H209-S232 WeakPolarHBondContact O-CB 3.18Å; H209-S232 PolarHBondContact O-OG 2.76Å; S232-K336 PolarHBondContact O-NZ 2.55Å
233	M	83.3	Confident	88.2	Confident	105 Å²	105	36 Å²	36	52%	0.517	19%	0.194	S	C	.	.	S	Bend	trans	-143.9	160.2	-172.4	66.5	-178.3	-62.1	0	0	113.1	H235 H328	M233-H235 VanDerWaalsContact CG-CE1 3.46Å; M233-H235 WeakPolarHBondContact CG-CE1 3.38Å; M233-H235 PolarHBondContact O-N 2.89Å; M233-H235 VanDerWaalsContact SD-CE1 3.54Å; M233-H328 PolarHBondContact O-CE1 3.15Å
234	I	85.9	Confident	87.9	Confident	40 Å²	40	36.7 Å²	36.7	21%	0.205	20%	0.197	C	C	.	.			trans	-84.3	110.2	172.9	-60.8	-179.7	0	0	0	110	R236 Q239 V297 V299 H328 A330	I234-R236 PolarHBondContact O-N 3.09Å; I234-Q239 HydrophobicContact CG2-CB 4.46Å; I234-Q239 HydrophobicContact CG2-CG 4.34Å; I234-V297 HydrophobicContact CD1-CG1 4.22Å; I234-V299 HydrophobicContact CD1-CG2 4.29Å; I234-V299 HydrophobicContact CG1-CB 4.42Å; I234-V299 HydrophobicContact CG1-CG1 4.05Å; I234-V299 HydrophobicContact CG1-CG2 3.42Å; I234-V299 VanDerWaalsContact CG1-CG2 3.42Å; I234-H328 VanDerWaalsContact CA-NE2 3.33Å; I234-H328 WeakPolarHBondContact CA-NE2 3.34Å; I234-A330 HydrophobicContact CD1-CB 3.93Å
235	H	85.2	Confident	87.1	Confident	38 Å²	38	36.7 Å²	36.7	18%	0.176	20%	0.197	C	C	.	.			trans	-81.7	102.6	169.1	-61	-68.4	0	0	0	110.4	D231 M233 A237 H238 Q239 H328	D231-H235 IonicContact OD1-NE2 2.67Å; M233-H235 VanDerWaalsContact CG-CE1 3.46Å; M233-H235 WeakPolarHBondContact CG-CE1 3.38Å; M233-H235 PolarHBondContact O-N 2.89Å; M233-H235 VanDerWaalsContact SD-CE1 3.54Å; H235-A237 PolarHBondContact O-N 3.48Å; H235-A237 VanDerWaalsContact O-N 3.12Å; H235-H238 PolarHBondContact O-N 3.11Å; H235-Q239 PolarHBondContact O-N 3.35Å; H235-Q239 VanDerWaalsContact O-N 3.15Å; H235-H328 AromaticContact CD2-CE1 3.85Å; H235-H328 PolarHBondContact N-NE2 2.79Å; H235-H328 PolarHBondContact O-CD2 3.35Å
236	R	85.1	Confident	85.7	Confident	177 Å²	177	40.3 Å²	40.3	67%	0.668	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.9	-178.6	-65.8	-60.6	-171.5	154.5	4.5	114	I234 H238 Q239	I234-R236 PolarHBondContact O-N 3.09Å; R236-H238 VanDerWaalsContact C-N 3.25Å; R236-H238 PolarHBondContact O-N 3.49Å; R236-Q239 PolarHBondContact O-N 3.17Å
237	A	82.1	Confident	83.3	Confident	35 Å²	35	47.2 Å²	47.2	29%	0.289	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.2	178.1	0	0	0	0	0	113.3	H235	H235-A237 PolarHBondContact O-N 3.48Å; H235-A237 VanDerWaalsContact O-N 3.12Å
238	H	85.7	Confident	80.7	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-5.8	-177.9	-62.8	-61.4	0	0	0	113.1	H235 R236 S240 F318 V325 H328 S371	H235-H238 PolarHBondContact O-N 3.11Å; R236-H238 VanDerWaalsContact C-N 3.25Å; R236-H238 PolarHBondContact O-N 3.49Å; H238-S240 PolarHBondContact O-N 2.88Å; H238-F318 AromaticContact CD2-CD1 3.67Å; H238-F318 AromaticContact NE2-CD1 3.75Å; H238-V325 HydrophobicContact CB-CG1 4.3Å; H238-H328 HydrophobicContact CB-CB 3.9Å; H238-H328 WeakPolarHBondContact O-CB 3.48Å; H238-S371 VanDerWaalsContact CA-OG 3.27Å; H238-S371 WeakPolarHBondContact CA-OG 3.42Å; H238-S371 WeakPolarHBondContact CB-OG 3.45Å; H238-S371 CarbonylContact O-C 3.59Å; H238-S371 WeakPolarHBondContact O-CB 3.47Å; H238-S371 PolarHBondContact O-OG 3.2Å
239	Q	89.7	Confident	77.8	Confident	55 Å²	55	55.5 Å²	55.5	26%	0.257	30%	0.299	S	S	.	.			trans	-60.4	112.7	-170.1	-176.9	178.4	10.5	0	0	111.3	I234 H235 R236 H328 S372	I234-Q239 HydrophobicContact CG2-CB 4.46Å; I234-Q239 HydrophobicContact CG2-CG 4.34Å; H235-Q239 PolarHBondContact O-N 3.35Å; H235-Q239 VanDerWaalsContact O-N 3.15Å; R236-Q239 PolarHBondContact O-N 3.17Å; Q239-H328 CarbonylContact C-O 3.59Å; Q239-H328 WeakPolarHBondContact CA-O 3.38Å; Q239-S372 WeakPolarHBondContact O-CA 3.41Å
240	S	89.8	Confident	75.2	Confident	4 Å²	4	60.3 Å²	60.3	3%	0.028	33%	0.325	C	S	.	.			trans	-71.3	155.5	173.9	-56.3	0	0	0	0	111.3	H238 A327 H328 S371	H238-S240 PolarHBondContact O-N 2.88Å; S240-A327 VanDerWaalsContact OG-CA 3.25Å; S240-A327 WeakPolarHBondContact OG-CA 3.36Å; S240-H328 PolarHBondContact N-O 3.22Å; S240-H328 PolarHBondContact OG-N 3.38Å; S240-S371 VanDerWaalsContact CA-O 3.32Å; S240-S371 WeakPolarHBondContact CA-O 3.41Å; S240-S371 WeakPolarHBondContact CB-O 3.26Å; S240-S371 PolarHBondContact OG-O 3.09Å
241	F	87	Confident	72.4	Confident	65 Å²	65	66.9 Å²	66.9	29%	0.285	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	141.1	169.9	-75.1	-66.5	0	0	0	111.5	S372 G374 A375 V376 R499 L500 Y503 F712	F241-S372 WeakPolarHBondContact CD2-O 3.33Å; F241-S372 VanDerWaalsContact CE2-O 3.29Å; F241-S372 WeakPolarHBondContact CE2-O 3.14Å; F241-G374 WeakPolarHBondContact CB-O 3.5Å; F241-G374 WeakPolarHBondContact CD2-O 3.26Å; F241-G374 PolarHBondContact N-O 3Å; F241-A375 HydrophobicContact CB-CB 3.98Å; F241-A375 CarbonylContact O-C 3.6Å; F241-A375 WeakPolarHBondContact O-CA 3.47Å; F241-V376 PolarHBondContact O-N 2.71Å; F241-R499 VanDerWaalsContact CB-O 3.25Å; F241-R499 WeakPolarHBondContact CB-O 3.12Å; F241-R499 WeakPolarHBondContact CG-O 3.47Å; F241-L500 HydrophobicContact CE1-CD2 4.4Å; F241-L500 HydrophobicContact CE2-CD2 4.35Å; F241-L500 HydrophobicContact CZ-CD2 4.21Å; F241-Y503 VanDerWaalsContact CB-OH 3.32Å; F241-Y503 WeakPolarHBondContact CB-OH 3.45Å; F241-F712 HydrophobicContact CE2-CZ 4.21Å; F241-F712 HydrophobicContact CZ-CZ 4.31Å
242	G	87.3	Confident	69.8	Low	27 Å²	27	71.2 Å²	71.2	28%	0.278	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	89	-139.7	178.9	0	0	0	0	0	113.9	V376	G242-V376 WeakPolarHBondContact CA-O 3.34Å
243	G	89.4	Confident	67.5	Low	8 Å²	8	72.2 Å²	72.2	8%	0.082	39%	0.392	C	S	.	.	S	Bend	trans	79	-156.2	-163.9	0	0	0	0	0	112.4	S245 V376	G243-S245 PolarHBondContact O-N 2.75Å; G243-V376 PolarHBondContact N-O 2.96Å
244	V	88.5	Confident	65.2	Low	24 Å²	24	76.2 Å²	76.2	15%	0.145	40%	0.402	C	S	.	.	S	Bend	trans	-81.9	111.8	173.3	-175.9	0	0	0	0	109.5	A330 A331 L333 F362	V244-A330 PolarHBondContact N-O 3.43Å; V244-A331 WeakPolarHBondContact CG2-O 3.4Å; V244-L333 HydrophobicContact CB-CG 4.33Å; V244-L333 HydrophobicContact CG1-CD1 3.7Å; V244-L333 HydrophobicContact CG1-CD2 4.35Å; V244-L333 HydrophobicContact CG1-CG 3.68Å; V244-F362 HydrophobicContact CG2-CE1 4.02Å; V244-F362 HydrophobicContact CG2-CZ 3.8Å
245	S	69.8	Low	63.1	Low	65 Å²	65	80.1 Å²	80.1	46%	0.455	42%	0.422	S	S	.	.			trans	-76.5	132.2	177.2	-177.6	0	0	0	0	111.7	G243 E247	G243-S245 PolarHBondContact O-N 2.75Å; S245-E247 PolarHBondContact O-N 2.77Å; S245-E247 PolarHBondContact OG-N 3.21Å
246	L	54.5	Low	60.7	Low	121 Å²	121	81.2 Å²	81.2	63%	0.634	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-23.4	169.7	-76.2	162.1	0	0	0	112.8	V248 L333	L246-V248 PolarHBondContact O-N 2.86Å; L246-L333 HydrophobicContact CD2-CD1 3.93Å; L246-L333 HydrophobicContact CD2-CD2 3.73Å; L246-L333 HydrophobicContact CD2-CG 4.33Å; L246-L333 HydrophobicContact CG-CD1 4.37Å; L246-L333 HydrophobicContact CG-CD2 3.89Å
247	E	45.2	Very low	58.2	Low	174 Å²	174	76.7 Å²	76.7	81%	0.813	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	2.3	-171.5	-64.2	-162.1	161.2	0	0	114.4	S245 P249	S245-E247 PolarHBondContact O-N 2.77Å; S245-E247 PolarHBondContact OG-N 3.21Å; E247-P249 VanDerWaalsContact O-CD 3.25Å; E247-P249 WeakPolarHBondContact O-CD 2.89Å
248	V	40.3	Very low	56.1	Low	71 Å²	71	78.7 Å²	78.7	43%	0.43	44%	0.438	S	S	.	.			trans	-111.3	88.6	171.6	-169.6	0	0	0	0	109	L246 L250 L505	L246-V248 PolarHBondContact O-N 2.86Å; V248-L250 VanDerWaalsContact C-N 3.3Å; V248-L250 PolarHBondContact O-N 2.83Å; V248-L505 HydrophobicContact CG2-CD2 3.95Å
249	P	33.6	Very low	53.6	Low	104 Å²	104	81.3 Å²	81.3	68%	0.675	46%	0.46	S	S	*	.			trans	-57.9	108.1	147.8	-8.8	23.8	0	0	0	104.7	E247 Q251	E247-P249 VanDerWaalsContact O-CD 3.25Å; E247-P249 WeakPolarHBondContact O-CD 2.89Å; P249-Q251 VanDerWaalsContact C-N 3.31Å; P249-Q251 PolarHBondContact O-N 2.99Å
250	L	37.6	Very low	50.9	Low	105 Å²	105	86 Å²	86	55%	0.55	48%	0.479	S	S	.	.			trans	-44.7	109.1	161.5	-75.6	169.7	0	0	0	104.5	V248 S252	V248-L250 VanDerWaalsContact C-N 3.3Å; V248-L250 PolarHBondContact O-N 2.83Å; L250-S252 PolarHBondContact O-N 2.94Å
251	Q	31.4	Very low	48.4	Very low	143 Å²	143	91 Å²	91	67%	0.668	51%	0.51	S	S	*	.			trans	-49.4	115.5	-175.1	-67.5	179.9	-45.4	0	0	106	P249 S253 R254	P249-Q251 VanDerWaalsContact C-N 3.31Å; P249-Q251 PolarHBondContact O-N 2.99Å; Q251-S253 WeakPolarHBondContact CB-OG 3.37Å; Q251-S253 PolarHBondContact O-N 3.2Å; Q251-R254 PolarHBondContact O-N 2.84Å
252	S	32.9	Very low	46	Very low	93 Å²	93	92.2 Å²	92.2	65%	0.65	52%	0.522	S	S	*	.	H	α-helix	trans	-53.2	-10.6	177.3	-62.9	0	0	0	0	111.7	L250 A256	L250-S252 PolarHBondContact O-N 2.94Å; S252-A256 WeakPolarHBondContact O-CB 3.3Å; S252-A256 PolarHBondContact O-N 3.05Å
253	S	33.3	Very low	43.5	Very low	61 Å²	61	95.1 Å²	95.1	43%	0.427	54%	0.539	S	S	.	.	H	α-helix	trans	-62.1	-28.9	169.5	66.8	0	0	0	0	115.1	Q251 T257	Q251-S253 WeakPolarHBondContact CB-OG 3.37Å; Q251-S253 PolarHBondContact O-N 3.2Å; S253-T257 WeakPolarHBondContact O-CB 3.41Å; S253-T257 PolarHBondContact O-N 3.08Å; S253-T257 PolarHBondContact O-OG1 3.14Å
254	R	35.2	Very low	41.2	Very low	189 Å²	189	104 Å²	104	71%	0.713	58%	0.575	S	S	*	*	H	α-helix	trans	-81.5	-38.5	174.9	-76.2	-168	-175.2	-176.7	3.6	112.8	Q251 A256 T257 V258	Q251-R254 PolarHBondContact O-N 2.84Å; R254-A256 PolarHBondContact O-N 3Å; R254-T257 WeakPolarHBondContact CA-OG1 3.47Å; R254-T257 PolarHBondContact O-N 3.27Å; R254-V258 WeakPolarHBondContact O-CB 3.5Å; R254-V258 VanDerWaalsContact O-CG2 3.26Å; R254-V258 WeakPolarHBondContact O-CG2 3.13Å; R254-V258 PolarHBondContact O-N 3.03Å
255	I	40.7	Very low	38.9	Very low	122 Å²	122	108.4 Å²	108.4	63%	0.626	60%	0.602	S	S	*	*	H	α-helix	trans	-63	-36.6	170.5	-60.2	171.5	0	0	0	109.8	A259	I255-A259 PolarHBondContact O-N 3.45Å
256	A	35.2	Very low	37.1	Very low	62 Å²	62	109.5 Å²	109.5	51%	0.512	61%	0.606	S	S	.	*	H	α-helix	trans	-74.3	-30.8	175.7	0	0	0	0	0	114.7	S252 R254	S252-A256 WeakPolarHBondContact O-CB 3.3Å; S252-A256 PolarHBondContact O-N 3.05Å; R254-A256 PolarHBondContact O-N 3Å
257	T	33.4	Very low	36.8	Very low	82 Å²	82	108.1 Å²	108.1	50%	0.503	61%	0.606	S	S	.	*	H	α-helix	trans	-82.4	-26.7	174.9	34.7	0	0	0	0	113.1	S253 R254 K260	S253-T257 WeakPolarHBondContact O-CB 3.41Å; S253-T257 PolarHBondContact O-N 3.08Å; S253-T257 PolarHBondContact O-OG1 3.14Å; R254-T257 WeakPolarHBondContact CA-OG1 3.47Å; R254-T257 PolarHBondContact O-N 3.27Å; T257-K260 WeakPolarHBondContact O-CB 3.43Å; T257-K260 PolarHBondContact O-N 3.31Å
258	V	37	Very low	36.6	Very low	76 Å²	76	107.1 Å²	107.1	46%	0.461	61%	0.607	S	S	.	*	H	α-helix	trans	-77.7	-22.1	174.7	177.1	0	0	0	0	112.4	R254 K260 T261	R254-V258 WeakPolarHBondContact O-CB 3.5Å; R254-V258 VanDerWaalsContact O-CG2 3.26Å; R254-V258 WeakPolarHBondContact O-CG2 3.13Å; R254-V258 PolarHBondContact O-N 3.03Å; V258-K260 PolarHBondContact O-N 3.33Å; V258-K260 VanDerWaalsContact O-N 3.11Å; V258-T261 PolarHBondContact O-N 3.3Å
259	A	34.7	Very low	36.1	Very low	56 Å²	56	111.4 Å²	111.4	46%	0.463	62%	0.624	S	S	.	*	H	α-helix	trans	-56.1	-24.3	165.4	0	0	0	0	0	112.9	I255 T261 V262 S263	I255-A259 PolarHBondContact O-N 3.45Å; A259-T261 VanDerWaalsContact C-N 3.32Å; A259-T261 PolarHBondContact O-N 3.49Å; A259-V262 PolarHBondContact O-N 2.98Å; A259-S263 PolarHBondContact O-N 3.46Å; A259-S263 PolarHBondContact O-OG 3.15Å
260	K	32.4	Very low	36	Very low	154 Å²	154	115.5 Å²	115.5	67%	0.67	63%	0.631	S	S	*	*	H	α-helix	trans	-71.6	-22.7	174.6	-63.2	-172.7	176.8	-179.9	0	113.5	T257 V258 S263	T257-K260 WeakPolarHBondContact O-CB 3.43Å; T257-K260 PolarHBondContact O-N 3.31Å; V258-K260 PolarHBondContact O-N 3.33Å; V258-K260 VanDerWaalsContact O-N 3.11Å; K260-S263 PolarHBondContact O-N 2.95Å
261	T	37.8	Very low	35.9	Very low	109 Å²	109	121.2 Å²	121.2	67%	0.669	65%	0.645	S	S	*	*	H	α-helix	trans	-77.4	-29.2	176.9	-47.8	0	0	0	0	111.7	V258 A259	V258-T261 PolarHBondContact O-N 3.3Å; A259-T261 VanDerWaalsContact C-N 3.32Å; A259-T261 PolarHBondContact O-N 3.49Å
262	V	34.9	Very low	35.8	Very low	90 Å²	90	120.7 Å²	120.7	55%	0.545	65%	0.652	S	S	.	*	H	α-helix	trans	-88.1	-9	174.4	-170.8	0	0	0	0	112.4	A259 K264 T265	A259-V262 PolarHBondContact O-N 2.98Å; V262-K264 PolarHBondContact O-N 2.96Å; V262-K264 VanDerWaalsContact O-N 3.17Å; V262-T265 PolarHBondContact O-N 3.5Å
263	S	36.3	Very low	35.6	Very low	89 Å²	89	122.1 Å²	122.1	62%	0.622	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-11.1	176	-60.2	0	0	0	0	113.6	A259 K260	A259-S263 PolarHBondContact O-N 3.46Å; A259-S263 PolarHBondContact O-OG 3.15Å; K260-S263 PolarHBondContact O-N 2.95Å
264	K	41.3	Very low	35.2	Very low	194 Å²	194	124.2 Å²	124.2	84%	0.843	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-6.4	177.7	-77.6	-171	175.8	-177.8	0	114.9	V262	V262-K264 PolarHBondContact O-N 2.96Å; V262-K264 VanDerWaalsContact O-N 3.17Å
265	T	38.4	Very low	34.9	Very low	116 Å²	116	122.6 Å²	122.6	71%	0.712	68%	0.677	S	S	*	*	S	Bend	trans	-124.9	13.2	-174.7	18.6	0	0	0	0	115.3	V262	V262-T265 PolarHBondContact O-N 3.5Å
266	V	33.4	Very low	34.5	Very low	89 Å²	89	122.5 Å²	122.5	54%	0.539	69%	0.687	S	S	.	*			trans	-134.3	56.3	174.5	-160.8	0	0	0	0	112.2	D268 M269	V266-D268 VanDerWaalsContact C-N 3.29Å; V266-M269 HydrophobicContact CG1-CB 3.65Å
267	S	48.8	Very low	34.3	Very low	91 Å²	91	126.4 Å²	126.4	64%	0.636	70%	0.704	S	S	*	*	S	Bend	trans	-79.7	-14.1	151.3	50.4	0	0	0	0	112.3
268	D	39.6	Very low	34.3	Very low	154 Å²	154	129 Å²	129	82%	0.824	72%	0.719	S	S	*	*	S	Bend	trans	-106.5	-0.4	-168	-69	-6.5	0	0	0	115.7	V266	V266-D268 VanDerWaalsContact C-N 3.29Å
269	M	29.6	Very low	33.8	Very low	161 Å²	161	128.7 Å²	128.7	79%	0.793	73%	0.732	S	S	*	*			trans	-110	52.6	171.1	-158.3	120	98.2	0	0	111.4	V266	V266-M269 HydrophobicContact CG1-CB 3.65Å
270	K	32.7	Very low	33.5	Very low	190 Å²	190	133.5 Å²	133.5	83%	0.826	75%	0.75	S	S	*	*			trans	-91.2	15.2	-176.8	-138.9	179.5	-172.5	-179.3	0	114.7
271	R	35.6	Very low	33.2	Very low	224 Å²	224	137.5 Å²	137.5	85%	0.845	76%	0.761	S	S	*	*			trans	-146.9	100	177.9	-64.1	-173.7	178.1	102.6	-0.7	109.9
272	T	28.8	Very low	32.9	Very low	133 Å²	133	138.3 Å²	138.3	82%	0.816	77%	0.767	S	S	*	*	S	Bend	trans	174.4	99.2	145.9	-74.7	0	0	0	0	109.6
273	V	28.7	Very low	32.7	Very low	123 Å²	123	139.4 Å²	139.4	75%	0.745	78%	0.779	S	S	*	*			trans	69	114.9	157.2	-148.4	0	0	0	0	117.2
274	S	25.7	Very low	32.3	Very low	104 Å²	104	140.9 Å²	140.9	73%	0.727	79%	0.789	S	S	*	*			cis	60.5	64.1	29.9	-48.7	0	0	0	0	115.8
275	N	28.7	Very low	31.7	Very low	156 Å²	156	142.7 Å²	142.7	83%	0.834	79%	0.791	S	S	*	*			trans	155	96.5	136.4	-82.1	-9.4	0	0	0	112.1
276	S	30.9	Very low	31.3	Very low	120 Å²	120	143.2 Å²	143.2	84%	0.839	80%	0.799	S	S	*	*			trans	-147.9	52.7	139.1	80	0	0	0	0	109.1
277	V	30.8	Very low	31	Very low	143 Å²	143	141.3 Å²	141.3	87%	0.867	80%	0.798	S	S	*	*			trans	-96.9	80.3	162.3	177.7	0	0	0	0	105.9
278	V	33.2	Very low	30.4	Very low	136 Å²	136	142.1 Å²	142.1	82%	0.824	80%	0.799	S	S	*	*			trans	-132.4	113.1	153.4	-179.8	0	0	0	0	105.1
279	G	26.9	Very low	30.2	Very low	70 Å²	70	138.2 Å²	138.2	72%	0.722	79%	0.789	S	S	*	*			trans	-68.2	133.3	-168.5	0	0	0	0	0	113.2
280	N	28.3	Very low	30.7	Very low	158 Å²	158	136 Å²	136	85%	0.845	78%	0.784	S	S	*	*			trans	-98.2	101.4	149.2	-85.7	53.3	0	0	0	107.4
281	R	26.4	Very low	30.9	Very low	238 Å²	238	133.9 Å²	133.9	90%	0.898	78%	0.777	S	S	*	*			trans	-60.8	128.3	156.6	-94.4	177.8	168	165.3	-3.9	107	S283	R281-S283 PolarHBondContact O-N 3.45Å
282	P	32.9	Very low	31.1	Very low	125 Å²	125	128.1 Å²	128.1	81%	0.812	77%	0.767	S	S	*	*			trans	-68.2	109.1	175.9	26.6	-30.1	0	0	0	108	S284	P282-S284 PolarHBondContact O-N 3.19Å
283	S	29	Very low	32.2	Very low	113 Å²	113	130.9 Å²	130.9	79%	0.79	76%	0.762	S	S	*	*			trans	-59.8	124	168.1	-130.8	0	0	0	0	107.8	R281 R285	R281-S283 PolarHBondContact O-N 3.45Å; S283-R285 VanDerWaalsContact C-N 3.31Å; S283-R285 PolarHBondContact O-N 2.82Å
284	S	27.6	Very low	33.8	Very low	120 Å²	120	130 Å²	130	84%	0.839	75%	0.748	S	S	*	*			trans	-60.3	88.9	173.6	52.5	0	0	0	0	110.1	P282	P282-S284 PolarHBondContact O-N 3.19Å
285	R	29.4	Very low	35.8	Very low	232 Å²	232	131.1 Å²	131.1	88%	0.875	75%	0.746	S	S	*	*			trans	-94.6	96.1	157.4	-88	-178.6	138.3	170	-6.1	107.5	S283 G287	S283-R285 VanDerWaalsContact C-N 3.31Å; S283-R285 PolarHBondContact O-N 2.82Å; R285-G287 PolarHBondContact O-N 2.68Å; R285-G287 VanDerWaalsContact O-N 3.14Å
286	S	30.5	Very low	38.3	Very low	127 Å²	127	129.5 Å²	129.5	89%	0.888	73%	0.734	S	S	*	*			trans	-65.7	100.8	159.2	59.3	0	0	0	0	107.6
287	G	27.6	Very low	41	Very low	50 Å²	50	124.3 Å²	124.3	52%	0.515	70%	0.697	S	S	.	*	S	Bend	trans	152.7	113.5	176.9	0	0	0	0	0	112.6	R285 A289	R285-G287 PolarHBondContact O-N 2.68Å; R285-G287 VanDerWaalsContact O-N 3.14Å; G287-A289 PolarHBondContact O-N 3.03Å
288	T	35.4	Very low	43.9	Very low	107 Å²	107	117.5 Å²	117.5	66%	0.656	66%	0.656	S	S	*	*			trans	65.9	18	151.9	67.2	0	0	0	0	121.6	V290 E291	T288-V290 PolarHBondContact O-N 3.4Å; T288-V290 VanDerWaalsContact O-N 3.1Å; T288-E291 PolarHBondContact O-N 3.38Å
289	A	36.1	Very low	46.7	Very low	73 Å²	73	111.1 Å²	111.1	60%	0.603	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-4.1	171	0	0	0	0	0	115.4	G287	G287-A289 PolarHBondContact O-N 3.03Å
290	V	39.2	Very low	49.9	Very low	113 Å²	113	107.8 Å²	107.8	69%	0.685	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-29.1	180	-177.4	0	0	0	0	111.9	T288	T288-V290 PolarHBondContact O-N 3.4Å; T288-V290 VanDerWaalsContact O-N 3.1Å
291	E	37.5	Very low	53	Low	146 Å²	146	100.3 Å²	100.3	68%	0.682	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-75.7	-30.9	-179	-85.7	177.1	148.9	0	0	113.1	T288 R293 F294	T288-E291 PolarHBondContact O-N 3.38Å; E291-R293 PolarHBondContact O-N 3.13Å; E291-F294 PolarHBondContact O-N 3.23Å
292	T	40.1	Very low	56.3	Low	103 Å²	103	89 Å²	89	63%	0.632	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-71.5	-12.9	-179.1	52.6	0	0	0	0	114.3
293	R	51.7	Low	59.1	Low	191 Å²	191	83 Å²	83	72%	0.721	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-75.3	-23.6	177.2	-73.3	-171.8	-178.4	169.2	0.7	113.5	E291 D295	E291-R293 PolarHBondContact O-N 3.13Å; R293-D295 VanDerWaalsContact C-N 3.27Å; R293-D295 PolarHBondContact O-N 3.26Å
294	F	61.9	Low	62	Low	105 Å²	105	79.3 Å²	79.3	46%	0.461	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-72.6	-22.6	-177	-69.9	-77	0	0	0	113.1	E291 E296 V297	E291-F294 PolarHBondContact O-N 3.23Å; F294-E296 VanDerWaalsContact C-N 3.27Å; F294-E296 PolarHBondContact O-N 3.35Å; F294-V297 HydrophobicContact CD1-CG2 4.47Å; F294-V297 PolarHBondContact O-N 3.14Å
295	D	68	Low	64.9	Low	127 Å²	127	73.7 Å²	73.7	68%	0.679	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-71.7	-23.1	-178.2	-159.8	28.3	0	0	0	112.4	R293 K336	R293-D295 VanDerWaalsContact C-N 3.27Å; R293-D295 PolarHBondContact O-N 3.26Å; D295-K336 WeakPolarHBondContact O-CE 3.28Å; D295-K336 PolarHBondContact O-NZ 3.18Å
296	E	81.1	Confident	67.4	Low	123 Å²	123	64.2 Å²	64.2	58%	0.575	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-94.9	-3.7	177.6	-65.6	-167.4	139.9	0	0	113.8	F294 G298 E335 K336	F294-E296 VanDerWaalsContact C-N 3.27Å; F294-E296 PolarHBondContact O-N 3.35Å; E296-G298 PolarHBondContact O-N 2.71Å; E296-E335 CarbonylContact O-C 3.52Å; E296-E335 WeakPolarHBondContact O-CA 3.48Å; E296-E335 PolarHBondContact O-N 2.72Å; E296-K336 PolarHBondContact O-N 3.07Å
297	V	87.9	Confident	69.7	Low	10 Å²	10	61.3 Å²	61.3	6%	0.061	34%	0.341	C	S	.	.			trans	-63	126.2	179.4	177	0	0	0	0	109.8	I234 F294 V299 A330 H332 K336	I234-V297 HydrophobicContact CD1-CG1 4.22Å; F294-V297 HydrophobicContact CD1-CG2 4.47Å; F294-V297 PolarHBondContact O-N 3.14Å; V297-V299 HydrophobicContact CG1-CG2 3.9Å; V297-V299 PolarHBondContact O-N 2.99Å; V297-A330 HydrophobicContact CG1-CB 3.9Å; V297-H332 CarbonylContact C-O 3.55Å; V297-H332 WeakPolarHBondContact CA-O 3.33Å; V297-H332 VanDerWaalsContact CG1-O 3.31Å; V297-H332 WeakPolarHBondContact CG1-O 3.31Å; V297-K336 WeakPolarHBondContact O-CD 3.37Å; V297-K336 PolarHBondContact O-NZ 3.17Å
298	G	91.6	Very high	71.8	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	102	171.7	0	0	0	0	0	109.9	E296 A331 H332 E335	E296-G298 PolarHBondContact O-N 2.71Å; G298-A331 WeakPolarHBondContact O-CA 3.49Å; G298-A331 WeakPolarHBondContact O-CB 3.41Å; G298-A331 PolarHBondContact O-N 3.39Å; G298-H332 PolarHBondContact N-O 3.48Å; G298-H332 PolarHBondContact O-N 3.28Å; G298-E335 WeakPolarHBondContact CA-O 3.41Å; G298-E335 PolarHBondContact N-O 2.92Å; G298-E335 VanDerWaalsContact N-O 3.07Å
299	V	92.4	Very high	73.2	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	146.4	179.5	-173.2	0	0	0	0	109.6	P230 D231 I234 V297 H328 F329	P230-V299 CarbonylContact C-O 3.4Å; P230-V299 VanDerWaalsContact CA-O 3.28Å; P230-V299 WeakPolarHBondContact CA-O 3.27Å; D231-V299 HydrophobicContact CB-CB 3.96Å; D231-V299 HydrophobicContact CB-CG1 3.77Å; D231-V299 PolarHBondContact N-O 3.37Å; I234-V299 HydrophobicContact CD1-CG2 4.29Å; I234-V299 HydrophobicContact CG1-CB 4.42Å; I234-V299 HydrophobicContact CG1-CG1 4.05Å; I234-V299 HydrophobicContact CG1-CG2 3.42Å; I234-V299 VanDerWaalsContact CG1-CG2 3.42Å; V297-V299 HydrophobicContact CG1-CG2 3.9Å; V297-V299 PolarHBondContact O-N 2.99Å; V299-H328 WeakPolarHBondContact CG1-CE1 3.3Å; V299-F329 WeakPolarHBondContact CA-O 3.49Å; V299-F329 WeakPolarHBondContact CG1-O 3.37Å
300	V	94.3	Very high	74.4	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.6	173.9	175.6	0	0	0	0	110	A228 I302 H328 F329 A331 V337 M340 L349 T351	A228-V300 HydrophobicContact CB-CG1 4.27Å; V300-I302 HydrophobicContact CG1-CG1 4.12Å; V300-H328 WeakPolarHBondContact O-CA 3.16Å; V300-F329 HydrophobicContact CB-CE1 4.05Å; V300-F329 HydrophobicContact CB-CE2 4.49Å; V300-F329 HydrophobicContact CB-CZ 3.99Å; V300-F329 HydrophobicContact CG1-CE1 4.07Å; V300-F329 HydrophobicContact CG1-CZ 4.16Å; V300-F329 PolarHBondContact N-O 3.31Å; V300-F329 PolarHBondContact O-N 3.3Å; V300-A331 HydrophobicContact CB-CB 4.44Å; V300-A331 HydrophobicContact CG2-CB 3.65Å; V300-V337 HydrophobicContact CG2-CG2 3.88Å; V300-M340 HydrophobicContact CG1-CE 4.22Å; V300-M340 HydrophobicContact CG2-CE 3.7Å; V300-L349 HydrophobicContact CG1-CD2 3.75Å; V300-T351 HydrophobicContact CG2-CG2 4.1Å
301	T	93.3	Very high	75.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.4	169.8	-58.2	0	0	0	0	109	A228 Y229 D231 I303 V325 H328	A228-T301 WeakPolarHBondContact CA-O 3.26Å; Y229-T301 HydrophobicContact CE1-CG2 3.88Å; Y229-T301 PolarHBondContact N-O 2.83Å; Y229-T301 PolarHBondContact O-N 3.13Å; Y229-T301 WeakPolarHBondContact OH-CG2 3.39Å; D231-T301 PolarHBondContact OD2-OG1 3.44Å; T301-I303 HydrophobicContact CG2-CG2 4.17Å; T301-V325 HydrophobicContact CG2-CG1 4.19Å; T301-H328 PolarHBondContact OG1-CE1 2.71Å; T301-H328 PolarHBondContact OG1-ND1 3.19Å
302	I	94.9	Very high	76.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.5	175.8	-52.3	-175.8	0	0	0	107.8	W226 F227 A228 V300 V326 A327 F329 F342 L349 V364	W226-I302 HydrophobicContact CB-CG2 3.77Å; W226-I302 HydrophobicContact CD2-CG2 4.4Å; W226-I302 HydrophobicContact CE3-CG2 4.44Å; W226-I302 HydrophobicContact CG-CG2 4.15Å; F227-I302 CarbonylContact O-C 3.57Å; F227-I302 WeakPolarHBondContact O-CA 3.47Å; A228-I302 HydrophobicContact CB-CG1 3.97Å; V300-I302 HydrophobicContact CG1-CG1 4.12Å; I302-V326 HydrophobicContact CB-CB 4.26Å; I302-V326 HydrophobicContact CG2-CB 3.99Å; I302-V326 HydrophobicContact CG2-CG1 4.38Å; I302-V326 PolarHBondContact O-N 3.08Å; I302-A327 HydrophobicContact CB-CB 4.27Å; I302-A327 HydrophobicContact CD1-CB 4.22Å; I302-A327 HydrophobicContact CG1-CB 4.36Å; I302-A327 PolarHBondContact N-O 3.38Å; I302-A327 PolarHBondContact O-N 3.45Å; I302-F329 HydrophobicContact CD1-CE1 4.06Å; I302-F329 HydrophobicContact CG1-CE1 4.38Å; I302-F342 HydrophobicContact CD1-CZ 4.29Å; I302-F342 HydrophobicContact CG2-CZ 4.14Å; I302-L349 HydrophobicContact CD1-CD2 4.04Å; I302-V364 HydrophobicContact CD1-CG1 4.31Å; I302-V364 HydrophobicContact CD1-CG2 3.55Å
303	I	91.7	Very high	76.7	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.7	177.3	61.9	174.5	0	0	0	111	I194 W226 F227 Y229 T301 L305 F308 G324 V325	I194-I303 HydrophobicContact CD1-CD1 4.33Å; W226-I303 WeakPolarHBondContact CA-O 3.44Å; F227-I303 HydrophobicContact CB-CG1 4.04Å; F227-I303 HydrophobicContact CD1-CD1 3.96Å; F227-I303 HydrophobicContact CD1-CG1 3.99Å; F227-I303 PolarHBondContact N-O 2.93Å; F227-I303 PolarHBondContact O-N 3.41Å; Y229-I303 HydrophobicContact CE1-CD1 4.47Å; Y229-I303 HydrophobicContact CE1-CG2 4.21Å; T301-I303 HydrophobicContact CG2-CG2 4.17Å; I303-L305 HydrophobicContact CD1-CD2 3.66Å; I303-L305 HydrophobicContact CG1-CD2 3.92Å; I303-F308 HydrophobicContact CB-CD2 4.08Å; I303-F308 HydrophobicContact CB-CG 4.42Å; I303-F308 HydrophobicContact CD1-CD1 4.29Å; I303-F308 HydrophobicContact CD1-CG 4.28Å; I303-F308 HydrophobicContact CG2-CD2 4.02Å; I303-F308 HydrophobicContact CG2-CE2 4.04Å; I303-G324 CarbonylContact C-O 3.36Å; I303-G324 WeakPolarHBondContact CA-O 3.24Å; I303-V325 HydrophobicContact CG2-CG2 4.45Å
304	D	90.5	Very high	76.8	Confident	35 Å²	35	43.6 Å²	43.6	19%	0.187	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	106.6	171.1	-167.5	-23	0	0	0	109.6	A306 V307 F308 G324 V326	D304-A306 PolarHBondContact O-N 3.3Å; D304-A306 VanDerWaalsContact OD1-CB 3.28Å; D304-A306 WeakPolarHBondContact OD1-CB 3.17Å; D304-A306 PolarHBondContact OD1-N 3.26Å; D304-V307 HydrophobicContact CB-CG2 4.49Å; D304-V307 PolarHBondContact O-N 2.95Å; D304-V307 VanDerWaalsContact O-N 3.17Å; D304-F308 WeakPolarHBondContact O-CB 3.26Å; D304-F308 PolarHBondContact O-N 2.68Å; D304-G324 PolarHBondContact N-O 2.87Å; D304-V326 HydrophobicContact CB-CG2 3.69Å
305	L	88.1	Confident	76.2	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.8	-179.1	-63.3	-175	0	0	0	113.5	F183 I185 I194 I204 L222 T225 F227 I303 P309	F183-L305 HydrophobicContact CB-CD1 4.08Å; F183-L305 HydrophobicContact CD1-CB 4.27Å; F183-L305 HydrophobicContact CD1-CD1 4.24Å; F183-L305 HydrophobicContact CD2-CB 3.84Å; F183-L305 HydrophobicContact CD2-CD1 3.68Å; F183-L305 HydrophobicContact CD2-CG 4.43Å; F183-L305 HydrophobicContact CE1-CB 3.89Å; F183-L305 HydrophobicContact CE2-CB 3.43Å; F183-L305 VanDerWaalsContact CE2-CB 3.43Å; F183-L305 HydrophobicContact CE2-CD1 4.18Å; F183-L305 HydrophobicContact CE2-CG 4.46Å; F183-L305 HydrophobicContact CG-CB 4.25Å; F183-L305 HydrophobicContact CG-CD1 3.72Å; F183-L305 HydrophobicContact CZ-CB 3.46Å; F183-L305 VanDerWaalsContact CZ-CB 3.46Å; F183-L305 VanDerWaalsContact CZ-O 3.27Å; F183-L305 WeakPolarHBondContact CZ-O 3.34Å; I185-L305 HydrophobicContact CD1-CD1 4.16Å; I194-L305 HydrophobicContact CD1-CD2 3.8Å; I194-L305 HydrophobicContact CG2-CD1 3.99Å; I194-L305 HydrophobicContact CG2-CD2 4.09Å; I204-L305 HydrophobicContact CD1-CD2 4.46Å; L222-L305 HydrophobicContact CD1-CD1 4.01Å; T225-L305 PolarHBondContact O-N 2.88Å; F227-L305 HydrophobicContact CB-CD1 3.73Å; F227-L305 HydrophobicContact CB-CD2 3.94Å; F227-L305 HydrophobicContact CB-CG 3.74Å; F227-L305 HydrophobicContact CG-CD1 4.47Å; I303-L305 HydrophobicContact CD1-CD2 3.66Å; I303-L305 HydrophobicContact CG1-CD2 3.92Å; L305-P309 WeakPolarHBondContact O-CD 2.99Å; L305-P309 WeakPolarHBondContact O-CG 3.36Å
306	A	82.1	Confident	75.3	Confident	34 Å²	34	40.4 Å²	40.4	28%	0.281	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-29	173.9	0	0	0	0	0	112.6	D304	D304-A306 PolarHBondContact O-N 3.3Å; D304-A306 VanDerWaalsContact OD1-CB 3.28Å; D304-A306 WeakPolarHBondContact OD1-CB 3.17Å; D304-A306 PolarHBondContact OD1-N 3.26Å
307	V	78.8	Confident	73.6	Confident	66 Å²	66	37.2 Å²	37.2	40%	0.4	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-42.7	-176.9	-178.6	0	0	0	0	110.8	D304 P309 H310	D304-V307 HydrophobicContact CB-CG2 4.49Å; D304-V307 PolarHBondContact O-N 2.95Å; D304-V307 VanDerWaalsContact O-N 3.17Å; V307-P309 VanDerWaalsContact C-CD 3.47Å; V307-H310 PolarHBondContact O-N 2.63Å
308	F	70.3	Confident	71.8	Confident	9 Å²	9	39.2 Å²	39.2	4%	0.039	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-59	-38.7	-168.2	-166.4	-82.9	0	0	0	115.5	I204 I303 D304 H310 T311 L315	I204-F308 HydrophobicContact CD1-CD1 3.45Å; I204-F308 VanDerWaalsContact CD1-CD1 3.45Å; I204-F308 HydrophobicContact CD1-CE1 3.99Å; I204-F308 HydrophobicContact CG1-CD1 4.26Å; I204-F308 HydrophobicContact CG1-CE1 4.46Å; I204-F308 HydrophobicContact CG2-CE1 4.46Å; I303-F308 HydrophobicContact CB-CD2 4.08Å; I303-F308 HydrophobicContact CB-CG 4.42Å; I303-F308 HydrophobicContact CD1-CD1 4.29Å; I303-F308 HydrophobicContact CD1-CG 4.28Å; I303-F308 HydrophobicContact CG2-CD2 4.02Å; I303-F308 HydrophobicContact CG2-CE2 4.04Å; D304-F308 WeakPolarHBondContact O-CB 3.26Å; D304-F308 PolarHBondContact O-N 2.68Å; F308-H310 PolarHBondContact O-N 3.25Å; F308-H310 VanDerWaalsContact O-N 3.09Å; F308-T311 PolarHBondContact O-N 3.47Å; F308-T311 VanDerWaalsContact O-N 3.13Å; F308-T311 PolarHBondContact O-OG1 3.49Å; F308-L315 HydrophobicContact CE1-CD1 3.55Å; F308-L315 HydrophobicContact CE1-CG 4.26Å; F308-L315 HydrophobicContact CZ-CD1 3.66Å; F308-L315 HydrophobicContact CZ-CG 3.85Å
309	P	65.2	Low	69.8	Low	41 Å²	41	41.6 Å²	41.6	27%	0.266	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-59.8	-20.2	175.9	-23.2	33.6	0	0	0	114.2	L203 I204 L305 V307	L203-P309 HydrophobicContact CB-CB 4.5Å; L203-P309 HydrophobicContact CD1-CG 4.13Å; I204-P309 HydrophobicContact CD1-CG 4.11Å; L305-P309 WeakPolarHBondContact O-CD 2.99Å; L305-P309 WeakPolarHBondContact O-CG 3.36Å; V307-P309 VanDerWaalsContact C-CD 3.47Å
310	H	62.6	Low	67.7	Low	157 Å²	157	46.2 Å²	46.2	73%	0.727	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-98.9	-0.6	-178.4	-57.2	-59.3	0	0	0	113.4	V307 F308	V307-H310 PolarHBondContact O-N 2.63Å; F308-H310 PolarHBondContact O-N 3.25Å; F308-H310 VanDerWaalsContact O-N 3.09Å
311	T	60.8	Low	65.6	Low	21 Å²	21	48.6 Å²	48.6	13%	0.129	34%	0.335	C	S	.	.	S	Bend	trans	-77	124.8	-178.3	-55.6	0	0	0	0	111.1	F308 G313 Q323	F308-T311 PolarHBondContact O-N 3.47Å; F308-T311 VanDerWaalsContact O-N 3.13Å; F308-T311 PolarHBondContact O-OG1 3.49Å; T311-G313 PolarHBondContact O-N 3.34Å; T311-Q323 HydrophobicContact CG2-CB 4.09Å; T311-Q323 WeakPolarHBondContact CG2-O 3.19Å; T311-Q323 PolarHBondContact OG1-O 3.16Å
312	A	52.3	Low	63.9	Low	103 Å²	103	49.3 Å²	49.3	85%	0.851	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	125.1	176.4	0	0	0	0	0	111.6
313	G	50.6	Low	62.8	Low	48 Å²	48	55.3 Å²	55.3	50%	0.495	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.4	-8.8	175.1	0	0	0	0	0	116.5	T311 S316	T311-G313 PolarHBondContact O-N 3.34Å; G313-S316 PolarHBondContact O-OG 3.16Å
314	G	53.5	Low	62.3	Low	32 Å²	32	56 Å²	56	33%	0.33	38%	0.375	S	S	.	.			trans	54.8	-164.8	176.8	0	0	0	0	0	114.6	S316	G314-S316 PolarHBondContact O-N 2.84Å
315	L	50.9	Low	62.3	Low	41 Å²	41	54.8 Å²	54.8	22%	0.215	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.9	176.2	-90.9	103.8	0	0	0	114.3	I204 L206 F308 S317 F318	I204-L315 HydrophobicContact CG2-CD1 3.56Å; L206-L315 HydrophobicContact CD2-CD1 3.15Å; L206-L315 HydrophobicContact CD2-CD2 3.57Å; L206-L315 HydrophobicContact CD2-CG 3.95Å; F308-L315 HydrophobicContact CE1-CD1 3.55Å; F308-L315 HydrophobicContact CE1-CG 4.26Å; F308-L315 HydrophobicContact CZ-CD1 3.66Å; F308-L315 HydrophobicContact CZ-CG 3.85Å; L315-S317 PolarHBondContact O-N 3.23Å; L315-F318 HydrophobicContact CD2-CE2 4.28Å; L315-F318 HydrophobicContact CD2-CZ 4.24Å
316	S	49.2	Very low	62.4	Low	123 Å²	123	55.2 Å²	55.2	86%	0.86	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-10.9	-176.5	35.3	0	0	0	0	113.6	G313 G314	G313-S316 PolarHBondContact O-OG 3.16Å; G314-S316 PolarHBondContact O-N 2.84Å
317	S	44.7	Very low	63	Low	56 Å²	56	53.7 Å²	53.7	39%	0.392	36%	0.359	S	S	.	.			trans	-134.6	82.1	177.9	177.7	0	0	0	0	109.8	L315 A319	L315-S317 PolarHBondContact O-N 3.23Å; S317-A319 PolarHBondContact O-N 3.1Å; S317-A319 WeakPolarHBondContact OG-CB 3.44Å; S317-A319 PolarHBondContact OG-N 3.37Å
318	F	50.1	Low	63.7	Low	53 Å²	53	50.6 Å²	50.6	23%	0.232	34%	0.34	C	S	.	.			trans	-64.2	45	152.5	-74.3	-79.9	0	0	0	110.8	H238 L315	H238-F318 AromaticContact CD2-CD1 3.67Å; H238-F318 AromaticContact NE2-CD1 3.75Å; L315-F318 HydrophobicContact CD2-CE2 4.28Å; L315-F318 HydrophobicContact CD2-CZ 4.24Å
319	A	48.7	Very low	64.8	Low	51 Å²	51	50.2 Å²	50.2	42%	0.421	34%	0.338	S	S	.	.			trans	-67.3	146.3	165.7	0	0	0	0	0	108	S317 G321 C322	S317-A319 PolarHBondContact O-N 3.1Å; S317-A319 WeakPolarHBondContact OG-CB 3.44Å; S317-A319 PolarHBondContact OG-N 3.37Å; A319-G321 PolarHBondContact O-N 3.31Å; A319-G321 VanDerWaalsContact O-N 3.16Å; A319-C322 PolarHBondContact O-N 3.44Å
320	S	48.4	Very low	66.2	Low	99 Å²	99	48.8 Å²	48.8	69%	0.692	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.5	123.1	170.8	-57.9	0	0	0	0	110.3
321	G	50.7	Low	67.7	Low	50 Å²	50	41.3 Å²	41.3	52%	0.515	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	11.8	179.4	0	0	0	0	0	116.6	A319 Q323	A319-G321 PolarHBondContact O-N 3.31Å; A319-G321 VanDerWaalsContact O-N 3.16Å; G321-Q323 PolarHBondContact O-N 2.86Å
322	C	58.2	Low	69.3	Low	14 Å²	14	40.3 Å²	40.3	10%	0.095	29%	0.289	C	S	.	.			trans	-54.7	105.4	169	-170.2	0	0	0	0	110.9	A319	A319-C322 PolarHBondContact O-N 3.44Å
323	Q	70.7	Confident	71.1	Confident	127 Å²	127	37.8 Å²	37.8	59%	0.593	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	139.4	178.4	-71.6	-176.9	-16.6	0	0	110.7	T311 G321	T311-Q323 HydrophobicContact CG2-CB 4.09Å; T311-Q323 WeakPolarHBondContact CG2-O 3.19Å; T311-Q323 PolarHBondContact OG1-O 3.16Å; G321-Q323 PolarHBondContact O-N 2.86Å
324	G	82.1	Confident	72.8	Confident	14 Å²	14	40.9 Å²	40.9	14%	0.144	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.4	-9.9	175.8	0	0	0	0	0	114.9	I303 D304 V326	I303-G324 CarbonylContact C-O 3.36Å; I303-G324 WeakPolarHBondContact CA-O 3.24Å; D304-G324 PolarHBondContact N-O 2.87Å; G324-V326 PolarHBondContact O-N 2.86Å
325	V	89.3	Confident	74.6	Confident	10 Å²	10	40.4 Å²	40.4	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	124.7	164.1	-174.3	0	0	0	0	108.3	H238 T301 I303 H328 S371	H238-V325 HydrophobicContact CB-CG1 4.3Å; T301-V325 HydrophobicContact CG2-CG1 4.19Å; I303-V325 HydrophobicContact CG2-CG2 4.45Å; V325-H328 HydrophobicContact CG1-CB 4.45Å; V325-S371 WeakPolarHBondContact O-CB 3.37Å
326	V	92	Very high	76.4	Confident	11 Å²	11	39.8 Å²	39.8	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-46.3	-179.4	178.4	0	0	0	0	110.4	W226 I302 D304 G324 V364 P366	W226-V326 HydrophobicContact CD2-CG1 4.13Å; W226-V326 HydrophobicContact CD2-CG2 4.47Å; W226-V326 HydrophobicContact CE3-CG1 4.44Å; W226-V326 HydrophobicContact CG-CG2 4.31Å; W226-V326 HydrophobicContact CH2-CG1 4.27Å; W226-V326 HydrophobicContact CZ2-CG1 3.91Å; I302-V326 HydrophobicContact CB-CB 4.26Å; I302-V326 HydrophobicContact CG2-CB 3.99Å; I302-V326 HydrophobicContact CG2-CG1 4.38Å; I302-V326 PolarHBondContact O-N 3.08Å; D304-V326 HydrophobicContact CB-CG2 3.69Å; G324-V326 PolarHBondContact O-N 2.86Å; V326-V364 HydrophobicContact CG1-CG1 4.01Å; V326-P366 HydrophobicContact CG1-CB 3.71Å
327	A	93.5	Very high	78.4	Confident	1 Å²	1	34 Å²	34	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	148.1	179.2	0	0	0	0	0	111.7	S240 I302 F329 V364 V376	S240-A327 VanDerWaalsContact OG-CA 3.25Å; S240-A327 WeakPolarHBondContact OG-CA 3.36Å; I302-A327 HydrophobicContact CB-CB 4.27Å; I302-A327 HydrophobicContact CD1-CB 4.22Å; I302-A327 HydrophobicContact CG1-CB 4.36Å; I302-A327 PolarHBondContact N-O 3.38Å; I302-A327 PolarHBondContact O-N 3.45Å; A327-F329 HydrophobicContact CB-CD1 4.28Å; A327-F329 HydrophobicContact CB-CE1 4.48Å; A327-V364 HydrophobicContact CB-CG1 4.06Å; A327-V376 HydrophobicContact CB-CG2 3.75Å
328	H	93.3	Very high	80.6	Confident	1 Å²	1	32 Å²	32	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	118.1	174.1	179.4	79.4	0	0	0	109.7	M233 I234 H235 H238 Q239 S240 V299 V300 T301 V325	M233-H328 PolarHBondContact O-CE1 3.15Å; I234-H328 VanDerWaalsContact CA-NE2 3.33Å; I234-H328 WeakPolarHBondContact CA-NE2 3.34Å; H235-H328 AromaticContact CD2-CE1 3.85Å; H235-H328 PolarHBondContact N-NE2 2.79Å; H235-H328 PolarHBondContact O-CD2 3.35Å; H238-H328 HydrophobicContact CB-CB 3.9Å; H238-H328 WeakPolarHBondContact O-CB 3.48Å; Q239-H328 CarbonylContact C-O 3.59Å; Q239-H328 WeakPolarHBondContact CA-O 3.38Å; S240-H328 PolarHBondContact N-O 3.22Å; S240-H328 PolarHBondContact OG-N 3.38Å; V299-H328 WeakPolarHBondContact CG1-CE1 3.3Å; V300-H328 WeakPolarHBondContact O-CA 3.16Å; T301-H328 PolarHBondContact OG1-CE1 2.71Å; T301-H328 PolarHBondContact OG1-ND1 3.19Å; V325-H328 HydrophobicContact CG1-CB 4.45Å
329	F	94.4	Very high	82.6	Confident	1 Å²	1	29.6 Å²	29.6	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	159.3	-168.4	64.4	-79	0	0	0	113.4	V299 V300 I302 A327 A331 L349 F362 V376	V299-F329 WeakPolarHBondContact CA-O 3.49Å; V299-F329 WeakPolarHBondContact CG1-O 3.37Å; V300-F329 HydrophobicContact CB-CE1 4.05Å; V300-F329 HydrophobicContact CB-CE2 4.49Å; V300-F329 HydrophobicContact CB-CZ 3.99Å; V300-F329 HydrophobicContact CG1-CE1 4.07Å; V300-F329 HydrophobicContact CG1-CZ 4.16Å; V300-F329 PolarHBondContact N-O 3.31Å; V300-F329 PolarHBondContact O-N 3.3Å; I302-F329 HydrophobicContact CD1-CE1 4.06Å; I302-F329 HydrophobicContact CG1-CE1 4.38Å; A327-F329 HydrophobicContact CB-CD1 4.28Å; A327-F329 HydrophobicContact CB-CE1 4.48Å; F329-A331 HydrophobicContact CD2-CB 4.4Å; F329-A331 HydrophobicContact CE2-CB 3.93Å; F329-A331 PolarHBondContact O-N 3.46Å; F329-L349 HydrophobicContact CZ-CD2 4.31Å; F329-F362 HydrophobicContact CD2-CE1 4.47Å; F329-F362 AromaticContact CE2-CD1 3.98Å; F329-F362 HydrophobicContact CE2-CD1 3.98Å; F329-F362 AromaticContact CE2-CD2 3.78Å; F329-F362 HydrophobicContact CE2-CD2 3.78Å; F329-F362 HydrophobicContact CE2-CE1 4.03Å; F329-F362 AromaticContact CE2-CE2 3.81Å; F329-F362 HydrophobicContact CE2-CE2 3.81Å; F329-F362 AromaticContact CE2-CG 3.86Å; F329-F362 HydrophobicContact CE2-CG 3.86Å; F329-F362 AromaticContact CE2-CZ 3.94Å; F329-F362 HydrophobicContact CE2-CZ 3.94Å; F329-F362 HydrophobicContact CZ-CD2 4.1Å; F329-F362 HydrophobicContact CZ-CE2 4.49Å; F329-F362 HydrophobicContact CZ-CG 4.2Å; F329-V376 HydrophobicContact CB-CG2 4.47Å; F329-V376 HydrophobicContact CD1-CB 4.23Å; F329-V376 HydrophobicContact CD1-CG1 4.07Å; F329-V376 HydrophobicContact CD1-CG2 3.66Å; F329-V376 HydrophobicContact CD2-CB 4.43Å; F329-V376 HydrophobicContact CD2-CG1 3.89Å; F329-V376 HydrophobicContact CE1-CG1 3.94Å; F329-V376 HydrophobicContact CE1-CG2 4.01Å; F329-V376 HydrophobicContact CE2-CG1 3.77Å; F329-V376 HydrophobicContact CG-CB 4.17Å; F329-V376 HydrophobicContact CG-CG1 4.05Å; F329-V376 HydrophobicContact CG-CG2 4.04Å; F329-V376 HydrophobicContact CZ-CG1 3.79Å
330	A	93.8	Very high	84.8	Confident	11 Å²	11	27.7 Å²	27.7	9%	0.091	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	116.1	169.1	0	0	0	0	0	109.6	I234 V244 V297	I234-A330 HydrophobicContact CD1-CB 3.93Å; V244-A330 PolarHBondContact N-O 3.43Å; V297-A330 HydrophobicContact CG1-CB 3.9Å
331	A	95.1	Very high	87.1	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-29.9	176.5	0	0	0	0	0	112.6	V244 G298 V300 F329 V337 T351 H360 F362	V244-A331 WeakPolarHBondContact CG2-O 3.4Å; G298-A331 WeakPolarHBondContact O-CA 3.49Å; G298-A331 WeakPolarHBondContact O-CB 3.41Å; G298-A331 PolarHBondContact O-N 3.39Å; V300-A331 HydrophobicContact CB-CB 4.44Å; V300-A331 HydrophobicContact CG2-CB 3.65Å; F329-A331 HydrophobicContact CD2-CB 4.4Å; F329-A331 HydrophobicContact CE2-CB 3.93Å; F329-A331 PolarHBondContact O-N 3.46Å; A331-V337 HydrophobicContact CB-CG2 4.18Å; A331-T351 HydrophobicContact CB-CG2 4.14Å; A331-H360 PolarHBondContact O-CD2 2.93Å; A331-F362 HydrophobicContact CB-CE2 3.97Å; A331-F362 HydrophobicContact CB-CZ 4.15Å
332	H	93.2	Very high	89.3	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	143.5	176.8	-68	-97.1	0	0	0	109.4	V297 G298 E335 T351 G353 H360	V297-H332 CarbonylContact C-O 3.55Å; V297-H332 WeakPolarHBondContact CA-O 3.33Å; V297-H332 VanDerWaalsContact CG1-O 3.31Å; V297-H332 WeakPolarHBondContact CG1-O 3.31Å; G298-H332 PolarHBondContact N-O 3.48Å; G298-H332 PolarHBondContact O-N 3.28Å; H332-E335 HydrophobicContact CB-CG 4.13Å; H332-E335 WeakPolarHBondContact CB-O 3.31Å; H332-T351 PolarHBondContact NE2-OG1 2.81Å; H332-G353 PolarHBondContact CE1-N 2.87Å; H332-G353 PolarHBondContact NE2-N 2.81Å; H332-H360 AromaticContact CE1-CD2 3.2Å; H332-H360 PolarHBondContact CE1-CD2 2.8Å; H332-H360 AromaticContact CE1-NE2 3.59Å; H332-H360 AromaticContact CG-CD2 3.88Å; H332-H360 AromaticContact ND1-CD2 3.37Å; H332-H360 PolarHBondContact ND1-CD2 2.81Å; H332-H360 AromaticContact ND1-NE2 3.39Å; H332-H360 PolarHBondContact ND1-NE2 2.8Å; H332-H360 AromaticContact NE2-CD2 3.65Å
333	L	90.4	Very high	91.2	Very high	51 Å²	51	21.9 Å²	21.9	27%	0.267	12%	0.119	S	C	.	.	S	Bend	trans	-96	-30.3	-172.8	-67	176.7	0	0	0	114.3	V244 L246	V244-L333 HydrophobicContact CB-CG 4.33Å; V244-L333 HydrophobicContact CG1-CD1 3.7Å; V244-L333 HydrophobicContact CG1-CD2 4.35Å; V244-L333 HydrophobicContact CG1-CG 3.68Å; L246-L333 HydrophobicContact CD2-CD1 3.93Å; L246-L333 HydrophobicContact CD2-CD2 3.73Å; L246-L333 HydrophobicContact CD2-CG 4.33Å; L246-L333 HydrophobicContact CG-CD1 4.37Å; L246-L333 HydrophobicContact CG-CD2 3.89Å
334	D	87.6	Confident	92.2	Very high	112 Å²	112	18.6 Å²	18.6	60%	0.599	11%	0.108	S	C	*	.	S	Bend	trans	-123.7	9.6	-172.1	62.6	-32.8	0	0	0	112.8
335	E	90	Very high	92.6	Very high	22 Å²	22	20.9 Å²	20.9	10%	0.103	12%	0.122	C	C	.	.	S	Bend	trans	-156.1	150.7	174.2	55.4	179.5	161	0	0	113	E296 G298 H332 G353 K354 S355	E296-E335 CarbonylContact O-C 3.52Å; E296-E335 WeakPolarHBondContact O-CA 3.48Å; E296-E335 PolarHBondContact O-N 2.72Å; G298-E335 WeakPolarHBondContact CA-O 3.41Å; G298-E335 PolarHBondContact N-O 2.92Å; G298-E335 VanDerWaalsContact N-O 3.07Å; H332-E335 HydrophobicContact CB-CG 4.13Å; H332-E335 WeakPolarHBondContact CB-O 3.31Å; E335-G353 VanDerWaalsContact CD-CA 3.42Å; E335-G353 VanDerWaalsContact OE2-C 3.22Å; E335-G353 WeakPolarHBondContact OE2-CA 3.35Å; E335-K354 PolarHBondContact OE2-N 2.8Å; E335-S355 PolarHBondContact OE1-OG 3.2Å; E335-S355 WeakPolarHBondContact OE2-CB 3.35Å; E335-S355 PolarHBondContact OE2-N 3.44Å; E335-S355 PolarHBondContact OE2-OG 2.87Å; E335-S355 VanDerWaalsContact OE2-OG 3.08Å
336	K	89.5	Confident	92.8	Very high	28 Å²	28	20.5 Å²	20.5	12%	0.122	12%	0.121	C	C	.	.			trans	-71.4	149.2	172.4	-65.3	-61.1	-171.4	-169.5	0	111.2	N213 S232 D295 E296 V297 S338 G353 K354	N213-K336 VanDerWaalsContact ND2-CB 3.31Å; N213-K336 WeakPolarHBondContact ND2-CB 3.41Å; S232-K336 PolarHBondContact O-NZ 2.55Å; D295-K336 WeakPolarHBondContact O-CE 3.28Å; D295-K336 PolarHBondContact O-NZ 3.18Å; E296-K336 PolarHBondContact O-N 3.07Å; V297-K336 WeakPolarHBondContact O-CD 3.37Å; V297-K336 PolarHBondContact O-NZ 3.17Å; K336-S338 PolarHBondContact O-N 2.92Å; K336-G353 CarbonylContact O-C 3.58Å; K336-G353 WeakPolarHBondContact O-CA 3.26Å; K336-K354 PolarHBondContact O-N 2.85Å
337	V	91.7	Very high	92.7	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	132.4	171.7	-174.7	0	0	0	0	109.5	N213 P230 V300 A331 M340	N213-V337 PolarHBondContact ND2-O 3.47Å; P230-V337 HydrophobicContact CB-CB 4.25Å; V300-V337 HydrophobicContact CG2-CG2 3.88Å; A331-V337 HydrophobicContact CB-CG2 4.18Å; V337-M340 HydrophobicContact CB-CE 4.47Å; V337-M340 HydrophobicContact CG1-CE 3.56Å
338	S	89	Confident	92.8	Very high	14 Å²	14	22.7 Å²	22.7	10%	0.098	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-23.7	178.6	72.8	0	0	0	0	113.1	C219 K336 G352 G353	C219-S338 VanDerWaalsContact SG-C 3.53Å; C219-S338 PolarHBondContact SG-O 3.22Å; K336-S338 PolarHBondContact O-N 2.92Å; S338-G352 PolarHBondContact N-O 2.97Å; S338-G352 PolarHBondContact OG-O 2.75Å; S338-G353 VanDerWaalsContact OG-C 3.27Å; S338-G353 PolarHBondContact OG-O 2.97Å
339	C	92.1	Very high	93.1	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.027	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	150.7	-179.6	51.2	0	0	0	0	110.9	D218 T351 G352 V391 I394	D218-C339 VanDerWaalsContact O-CA 3.3Å; D218-C339 WeakPolarHBondContact O-CA 3.3Å; C339-T351 CarbonylContact O-C 3.58Å; C339-T351 WeakPolarHBondContact O-CA 3.34Å; C339-G352 PolarHBondContact N-O 2.89Å; C339-G352 PolarHBondContact O-N 3.21Å; C339-V391 HydrophobicContact CB-CG1 4.38Å; C339-I394 HydrophobicContact CB-CD1 3.9Å
340	M	95.5	Very high	93.3	Very high	11 Å²	11	22.6 Å²	22.6	5%	0.054	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	156.9	172.6	56.3	177.4	68.5	0	0	112.4	D218 C219 A221 A228 V300 V337 L349 L350 T351	D218-M340 PolarHBondContact O-N 2.87Å; C219-M340 WeakPolarHBondContact O-CE 3.46Å; C219-M340 WeakPolarHBondContact O-CG 3.39Å; A221-M340 HydrophobicContact CB-CB 4.44Å; A221-M340 HydrophobicContact CB-CG 3.84Å; A221-M340 HydrophobicContact CB-SD 4.18Å; A228-M340 HydrophobicContact CB-SD 3.75Å; V300-M340 HydrophobicContact CG1-CE 4.22Å; V300-M340 HydrophobicContact CG2-CE 3.7Å; V337-M340 HydrophobicContact CB-CE 4.47Å; V337-M340 HydrophobicContact CG1-CE 3.56Å; M340-L349 HydrophobicContact CB-CD1 4.2Å; M340-L349 HydrophobicContact SD-CD1 4.44Å; M340-L350 CarbonylContact C-O 3.56Å; M340-L350 WeakPolarHBondContact CA-O 3.42Å; M340-L350 VanDerWaalsContact CB-O 3.24Å; M340-L350 WeakPolarHBondContact CB-O 3.43Å; M340-T351 HydrophobicContact CB-CG2 4.24Å
341	A	96.4	Very high	93.4	Very high	16 Å²	16	22 Å²	22	13%	0.132	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	137.7	174.4	0	0	0	0	0	110.8	L350 I394 F396	A341-L350 PolarHBondContact N-O 3.4Å; A341-L350 PolarHBondContact O-N 2.69Å; A341-I394 HydrophobicContact CB-CB 3.9Å; A341-I394 HydrophobicContact CB-CG2 3.8Å; A341-F396 HydrophobicContact CB-CE2 4.45Å
342	F	97.9	Very high	93.4	Very high	20 Å²	20	22 Å²	22	9%	0.088	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	147.6	166	-80.9	-72.7	0	0	0	110.3	A221 G223 W226 A228 I302 G346 M348 L349	A221-F342 HydrophobicContact CB-CD2 3.57Å; A221-F342 HydrophobicContact CB-CE2 4Å; A221-F342 HydrophobicContact CB-CG 4.42Å; A221-F342 WeakPolarHBondContact O-CE2 2.99Å; G223-F342 VanDerWaalsContact N-CD2 3.35Å; W226-F342 HydrophobicContact CB-CZ 4.11Å; W226-F342 HydrophobicContact CE3-CE1 4.38Å; A228-F342 HydrophobicContact CB-CE2 3.6Å; A228-F342 HydrophobicContact CB-CZ 3.74Å; I302-F342 HydrophobicContact CD1-CZ 4.29Å; I302-F342 HydrophobicContact CG2-CZ 4.14Å; F342-G346 WeakPolarHBondContact CD1-O 3.3Å; F342-M348 CarbonylContact C-O 3.59Å; F342-M348 WeakPolarHBondContact CA-O 3.47Å; F342-M348 WeakPolarHBondContact CD1-O 3.24Å; F342-L349 HydrophobicContact CD1-CB 4.23Å; F342-L349 HydrophobicContact CD1-CD1 4.01Å; F342-L349 HydrophobicContact CD2-CD1 4.1Å; F342-L349 HydrophobicContact CE1-CB 4.03Å; F342-L349 HydrophobicContact CE1-CD1 3.98Å; F342-L349 HydrophobicContact CE2-CD1 4.08Å; F342-L349 HydrophobicContact CG-CD1 4.07Å; F342-L349 HydrophobicContact CZ-CD1 4.02Å
343	N	96.9	Very high	93.3	Very high	5 Å²	5	22 Å²	22	3%	0.027	13%	0.129	C	C	.	.			trans	-68.7	168.1	163.3	82	-37.6	0	0	0	110.6	S345 G346 T347 M348 F396 S400	N343-S345 PolarHBondContact ND2-OG 3.15Å; N343-S345 PolarHBondContact O-N 3.07Å; N343-S345 VanDerWaalsContact O-N 3.17Å; N343-S345 PolarHBondContact OD1-OG 3.13Å; N343-S345 VanDerWaalsContact OD1-OG 3.13Å; N343-G346 PolarHBondContact O-N 2.87Å; N343-G346 PolarHBondContact OD1-N 2.89Å; N343-T347 PolarHBondContact OD1-N 3.02Å; N343-T347 VanDerWaalsContact OD1-N 3.13Å; N343-M348 HydrophobicContact CB-CB 4.02Å; N343-M348 PolarHBondContact N-O 2.83Å; N343-M348 PolarHBondContact OD1-N 3.03Å; N343-M348 PolarHBondContact OD1-O 3.04Å; N343-F396 HydrophobicContact CB-CB 4.39Å; N343-F396 HydrophobicContact CB-CD1 3.72Å; N343-F396 HydrophobicContact CB-CD2 4.08Å; N343-F396 HydrophobicContact CB-CE1 3.86Å; N343-F396 HydrophobicContact CB-CE2 4.2Å; N343-F396 HydrophobicContact CB-CG 3.82Å; N343-F396 HydrophobicContact CB-CZ 4.08Å; N343-S400 PolarHBondContact ND2-OG 2.69Å
344	P	93.5	Very high	93.2	Very high	57 Å²	57	25.2 Å²	25.2	37%	0.37	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.4	-176	-27.2	36.9	0	0	0	114.8	G346 F396	P344-G346 VanDerWaalsContact C-N 3.3Å; P344-F396 HydrophobicContact CG-CB 4.43Å
345	S	89.4	Confident	93.4	Very high	62 Å²	62	20.7 Å²	20.7	43%	0.434	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-16.2	175.8	63.9	0	0	0	0	113.7	N343 T347	N343-S345 PolarHBondContact ND2-OG 3.15Å; N343-S345 PolarHBondContact O-N 3.07Å; N343-S345 VanDerWaalsContact O-N 3.17Å; N343-S345 PolarHBondContact OD1-OG 3.13Å; N343-S345 VanDerWaalsContact OD1-OG 3.13Å; S345-T347 VanDerWaalsContact C-N 3.27Å; S345-T347 PolarHBondContact O-N 3.09Å; S345-T347 PolarHBondContact OG-OG1 2.8Å
346	G	93.1	Very high	93.5	Very high	3 Å²	3	19.7 Å²	19.7	3%	0.031	11%	0.113	C	C	.	.	S	Bend	trans	76.4	8.7	-176	0	0	0	0	0	114.6	W226 F342 N343 P344	W226-G346 WeakPolarHBondContact CZ3-O 3.18Å; F342-G346 WeakPolarHBondContact CD1-O 3.3Å; N343-G346 PolarHBondContact O-N 2.87Å; N343-G346 PolarHBondContact OD1-N 2.89Å; P344-G346 VanDerWaalsContact C-N 3.3Å
347	T	90.7	Very high	93.7	Very high	55 Å²	55	23.4 Å²	23.4	34%	0.337	13%	0.126	S	C	.	.	S	Bend	trans	-100.4	-23.6	-176.4	58.2	0	0	0	0	113.3	N343 S345 N363 V364	N343-T347 PolarHBondContact OD1-N 3.02Å; N343-T347 VanDerWaalsContact OD1-N 3.13Å; S345-T347 VanDerWaalsContact C-N 3.27Å; S345-T347 PolarHBondContact O-N 3.09Å; S345-T347 PolarHBondContact OG-OG1 2.8Å; T347-N363 PolarHBondContact O-OD1 2.84Å; T347-V364 PolarHBondContact O-N 3.48Å
348	M	96	Very high	93.9	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.9	175.4	-60.7	170	62.5	0	0	110.7	F342 N343 V361 F362 L379 I417 P419	F342-M348 CarbonylContact C-O 3.59Å; F342-M348 WeakPolarHBondContact CA-O 3.47Å; F342-M348 WeakPolarHBondContact CD1-O 3.24Å; N343-M348 HydrophobicContact CB-CB 4.02Å; N343-M348 PolarHBondContact N-O 2.83Å; N343-M348 PolarHBondContact OD1-N 3.03Å; N343-M348 PolarHBondContact OD1-O 3.04Å; M348-V361 HydrophobicContact CE-CG1 3.33Å; M348-F362 CarbonylContact C-O 3.49Å; M348-F362 WeakPolarHBondContact CA-O 3.48Å; M348-F362 WeakPolarHBondContact CB-O 3.41Å; M348-L379 HydrophobicContact CE-CD1 4.03Å; M348-I417 HydrophobicContact CE-CD1 4.17Å; M348-P419 HydrophobicContact SD-CB 4.26Å; M348-P419 VanDerWaalsContact SD-O 3.33Å
349	L	98.3	Very high	94.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.5	176.7	-175.6	69.2	0	0	0	109.4	A221 A228 V300 I302 F329 M340 F342 T351 F362	A221-L349 HydrophobicContact CB-CD1 3.94Å; A228-L349 HydrophobicContact CB-CD1 4.06Å; A228-L349 HydrophobicContact CB-CD2 3.96Å; V300-L349 HydrophobicContact CG1-CD2 3.75Å; I302-L349 HydrophobicContact CD1-CD2 4.04Å; F329-L349 HydrophobicContact CZ-CD2 4.31Å; M340-L349 HydrophobicContact CB-CD1 4.2Å; M340-L349 HydrophobicContact SD-CD1 4.44Å; F342-L349 HydrophobicContact CD1-CB 4.23Å; F342-L349 HydrophobicContact CD1-CD1 4.01Å; F342-L349 HydrophobicContact CD2-CD1 4.1Å; F342-L349 HydrophobicContact CE1-CB 4.03Å; F342-L349 HydrophobicContact CE1-CD1 3.98Å; F342-L349 HydrophobicContact CE2-CD1 4.08Å; F342-L349 HydrophobicContact CG-CD1 4.07Å; F342-L349 HydrophobicContact CZ-CD1 4.02Å; L349-T351 HydrophobicContact CD2-CG2 4.01Å; L349-T351 HydrophobicContact CG-CG2 4.11Å; L349-F362 PolarHBondContact N-O 3.11Å; L349-F362 PolarHBondContact O-N 2.97Å
350	L	98.5	Very high	94.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.6	167.2	-178.3	164.4	0	0	0	109.4	M340 A341 F359 H360 V361 L382 I394 F396 V403	M340-L350 CarbonylContact C-O 3.56Å; M340-L350 WeakPolarHBondContact CA-O 3.42Å; M340-L350 VanDerWaalsContact CB-O 3.24Å; M340-L350 WeakPolarHBondContact CB-O 3.43Å; A341-L350 PolarHBondContact N-O 3.4Å; A341-L350 PolarHBondContact O-N 2.69Å; L350-F359 HydrophobicContact CD2-CB 3.91Å; L350-F359 HydrophobicContact CD2-CD1 3.79Å; L350-F359 HydrophobicContact CD2-CG 4.24Å; L350-F359 HydrophobicContact CG-CB 4.24Å; L350-H360 CarbonylContact C-O 3.55Å; L350-H360 VanDerWaalsContact CA-O 3.24Å; L350-H360 WeakPolarHBondContact CA-O 3.38Å; L350-V361 HydrophobicContact CB-CG2 4.44Å; L350-V361 HydrophobicContact CD1-CG2 4.13Å; L350-V361 HydrophobicContact CG-CG2 4.22Å; L350-L382 HydrophobicContact CD1-CD1 3.92Å; L350-I394 HydrophobicContact CD1-CG2 3.91Å; L350-I394 HydrophobicContact CD2-CD1 3.64Å; L350-I394 HydrophobicContact CD2-CG1 4.49Å; L350-I394 HydrophobicContact CD2-CG2 3.83Å; L350-I394 HydrophobicContact CG-CG2 4.35Å; L350-F396 HydrophobicContact CB-CE2 3.83Å; L350-F396 HydrophobicContact CB-CZ 3.63Å; L350-F396 HydrophobicContact CD1-CE2 4.46Å; L350-F396 HydrophobicContact CD1-CZ 4.23Å; L350-V403 HydrophobicContact CD1-CB 4.47Å; L350-V403 HydrophobicContact CD1-CG1 3.44Å; L350-V403 VanDerWaalsContact CD1-CG1 3.44Å; L350-V403 HydrophobicContact CD1-CG2 4.27Å
351	T	97.5	Very high	94.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.8	174.4	69.2	0	0	0	0	110.8	V300 A331 H332 C339 M340 L349 F359 H360 F362	V300-T351 HydrophobicContact CG2-CG2 4.1Å; A331-T351 HydrophobicContact CB-CG2 4.14Å; H332-T351 PolarHBondContact NE2-OG1 2.81Å; C339-T351 CarbonylContact O-C 3.58Å; C339-T351 WeakPolarHBondContact O-CA 3.34Å; M340-T351 HydrophobicContact CB-CG2 4.24Å; L349-T351 HydrophobicContact CD2-CG2 4.01Å; L349-T351 HydrophobicContact CG-CG2 4.11Å; T351-F359 CarbonylContact O-C 3.44Å; T351-F359 WeakPolarHBondContact O-CA 3.37Å; T351-F359 WeakPolarHBondContact O-CB 3.25Å; T351-H360 PolarHBondContact N-O 3Å; T351-H360 PolarHBondContact O-N 3.21Å; T351-F362 HydrophobicContact CG2-CD2 4.22Å; T351-F362 HydrophobicContact CG2-CE2 4.03Å; T351-F362 WeakPolarHBondContact OG1-CE2 3.49Å
352	G	94.7	Very high	94.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.7	172	0	0	0	0	0	111	S338 C339 F359	S338-G352 PolarHBondContact N-O 2.97Å; S338-G352 PolarHBondContact OG-O 2.75Å; C339-G352 PolarHBondContact N-O 2.89Å; C339-G352 PolarHBondContact O-N 3.21Å; G352-F359 VanDerWaalsContact CA-CD1 3.49Å
353	G	90.8	Very high	94.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	173.8	176.9	0	0	0	0	0	113	H332 E335 K336 S338 S355 G356	H332-G353 PolarHBondContact CE1-N 2.87Å; H332-G353 PolarHBondContact NE2-N 2.81Å; E335-G353 VanDerWaalsContact CD-CA 3.42Å; E335-G353 VanDerWaalsContact OE2-C 3.22Å; E335-G353 WeakPolarHBondContact OE2-CA 3.35Å; K336-G353 CarbonylContact O-C 3.58Å; K336-G353 WeakPolarHBondContact O-CA 3.26Å; S338-G353 VanDerWaalsContact OG-C 3.27Å; S338-G353 PolarHBondContact OG-O 2.97Å; G353-S355 PolarHBondContact O-N 2.8Å; G353-G356 PolarHBondContact O-N 3.3Å; G353-G356 VanDerWaalsContact O-N 3.1Å
354	K	88.5	Confident	94.5	Very high	118 Å²	118	24 Å²	24	51%	0.513	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.2	178.4	178.7	171	174.3	170.1	0	114	Y216 E335 K336 G356	Y216-K354 HydrophobicContact CE2-CD 4.2Å; Y216-K354 HydrophobicContact CE2-CG 4.13Å; Y216-K354 WeakPolarHBondContact OH-CD 3.42Å; Y216-K354 WeakPolarHBondContact OH-CE 3.36Å; E335-K354 PolarHBondContact OE2-N 2.8Å; K336-K354 PolarHBondContact O-N 2.85Å; K354-G356 VanDerWaalsContact C-N 3.29Å; K354-G356 PolarHBondContact O-N 2.84Å
355	S	91.3	Very high	94.3	Very high	16 Å²	16	22.8 Å²	22.8	11%	0.112	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-31.3	178.2	74.5	0	0	0	0	112.1	E335 G353 R357 N388 A389	E335-S355 PolarHBondContact OE1-OG 3.2Å; E335-S355 WeakPolarHBondContact OE2-CB 3.35Å; E335-S355 PolarHBondContact OE2-N 3.44Å; E335-S355 PolarHBondContact OE2-OG 2.87Å; E335-S355 VanDerWaalsContact OE2-OG 3.08Å; G353-S355 PolarHBondContact O-N 2.8Å; S355-R357 PolarHBondContact O-N 2.91Å; S355-R357 PolarHBondContact OG-N 3.12Å; S355-N388 WeakPolarHBondContact O-CA 3.43Å; S355-A389 PolarHBondContact O-N 2.86Å
356	G	92	Very high	94.2	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.01	11%	0.111	C	C	.	.			trans	58.2	25	-171.2	0	0	0	0	0	113.5	G353 K354 R384 A389	G353-G356 PolarHBondContact O-N 3.3Å; G353-G356 VanDerWaalsContact O-N 3.1Å; K354-G356 VanDerWaalsContact C-N 3.29Å; K354-G356 PolarHBondContact O-N 2.84Å; G356-R384 WeakPolarHBondContact O-CD 3.47Å; G356-A389 WeakPolarHBondContact CA-O 3.45Å
357	R	94.7	Very high	93.6	Very high	106 Å²	106	23.4 Å²	23.4	40%	0.4	12%	0.115	S	C	.	.	S	Bend	trans	-91.8	-39.4	178.7	-65.7	179.5	-170.3	171	2.1	112.1	S355 R384 G385 N386 N388	S355-R357 PolarHBondContact O-N 2.91Å; S355-R357 PolarHBondContact OG-N 3.12Å; R357-R384 WeakPolarHBondContact O-CB 3.23Å; R357-R384 PolarHBondContact O-N 3.33Å; R357-G385 WeakPolarHBondContact CB-O 3.42Å; R357-N386 WeakPolarHBondContact CD-O 3.49Å; R357-N386 PolarHBondContact NE-O 3.03Å; R357-N388 PolarHBondContact NE-OD1 3.09Å; R357-N388 PolarHBondContact NH2-OD1 2.69Å
358	E	94.3	Very high	92.8	Very high	43 Å²	43	24.3 Å²	24.3	20%	0.201	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.7	-180	65.5	178.3	-147.9	0	0	112.3	H360 T381 L382 F383	E358-H360 IonicContact OE1-CE1 3.69Å; E358-H360 PolarHBondContact OE1-CE1 3.11Å; E358-H360 IonicContact OE1-NE2 2.69Å; E358-H360 PolarHBondContact OE1-NE2 3.26Å; E358-T381 HydrophobicContact CB-CG2 4.3Å; E358-L382 CarbonylContact C-O 3.52Å; E358-L382 WeakPolarHBondContact CA-O 3.42Å; E358-F383 HydrophobicContact CB-CD1 4.15Å; E358-F383 HydrophobicContact CB-CE1 4.28Å; E358-F383 WeakPolarHBondContact OE2-CE1 3.42Å
359	F	97.8	Very high	91.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	142.4	-179	-54.3	-96.6	0	0	0	108.9	L350 T351 G352 T381 L382 R384 V391 I394 V405	L350-F359 HydrophobicContact CD2-CB 3.91Å; L350-F359 HydrophobicContact CD2-CD1 3.79Å; L350-F359 HydrophobicContact CD2-CG 4.24Å; L350-F359 HydrophobicContact CG-CB 4.24Å; T351-F359 CarbonylContact O-C 3.44Å; T351-F359 WeakPolarHBondContact O-CA 3.37Å; T351-F359 WeakPolarHBondContact O-CB 3.25Å; G352-F359 VanDerWaalsContact CA-CD1 3.49Å; F359-T381 CarbonylContact O-C 3.53Å; F359-T381 WeakPolarHBondContact O-CA 3.48Å; F359-L382 HydrophobicContact CB-CB 4.17Å; F359-L382 PolarHBondContact N-O 3.05Å; F359-L382 PolarHBondContact O-N 3.48Å; F359-R384 HydrophobicContact CE2-CB 3.94Å; F359-V391 HydrophobicContact CE1-CG2 3.8Å; F359-V391 HydrophobicContact CZ-CG2 3.6Å; F359-I394 HydrophobicContact CD1-CD1 4.5Å; F359-I394 HydrophobicContact CE1-CD1 4.49Å; F359-V405 HydrophobicContact CD1-CG2 4.28Å; F359-V405 HydrophobicContact CD2-CG2 4.25Å; F359-V405 HydrophobicContact CE1-CG1 3.87Å; F359-V405 HydrophobicContact CE1-CG2 4.22Å; F359-V405 HydrophobicContact CE2-CG1 3.99Å; F359-V405 HydrophobicContact CE2-CG2 4.22Å; F359-V405 HydrophobicContact CG-CG2 4.33Å; F359-V405 HydrophobicContact CZ-CB 4.39Å; F359-V405 HydrophobicContact CZ-CG1 3.48Å; F359-V405 VanDerWaalsContact CZ-CG1 3.48Å; F359-V405 HydrophobicContact CZ-CG2 4.22Å
360	H	97.9	Very high	90.8	Very high	8 Å²	8	28 Å²	28	4%	0.037	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.8	178.6	-59.8	-50.3	0	0	0	109.8	A331 H332 L350 T351 E358 F362 H378 Y380 T381	A331-H360 PolarHBondContact O-CD2 2.93Å; H332-H360 AromaticContact CE1-CD2 3.2Å; H332-H360 PolarHBondContact CE1-CD2 2.8Å; H332-H360 AromaticContact CE1-NE2 3.59Å; H332-H360 AromaticContact CG-CD2 3.88Å; H332-H360 AromaticContact ND1-CD2 3.37Å; H332-H360 PolarHBondContact ND1-CD2 2.81Å; H332-H360 AromaticContact ND1-NE2 3.39Å; H332-H360 PolarHBondContact ND1-NE2 2.8Å; H332-H360 AromaticContact NE2-CD2 3.65Å; L350-H360 CarbonylContact C-O 3.55Å; L350-H360 VanDerWaalsContact CA-O 3.24Å; L350-H360 WeakPolarHBondContact CA-O 3.38Å; T351-H360 PolarHBondContact N-O 3Å; T351-H360 PolarHBondContact O-N 3.21Å; E358-H360 IonicContact OE1-CE1 3.69Å; E358-H360 PolarHBondContact OE1-CE1 3.11Å; E358-H360 IonicContact OE1-NE2 2.69Å; E358-H360 PolarHBondContact OE1-NE2 3.26Å; H360-F362 HydrophobicContact CB-CD2 4.3Å; H360-F362 HydrophobicContact CB-CE1 4.26Å; H360-F362 HydrophobicContact CB-CE2 3.41Å; H360-F362 VanDerWaalsContact CB-CE2 3.41Å; H360-F362 HydrophobicContact CB-CZ 3.38Å; H360-H378 WeakPolarHBondContact CB-NE2 3.5Å; H360-H378 AromaticContact CE1-CE1 3.91Å; H360-H378 AromaticContact CG-CE1 3.73Å; H360-H378 AromaticContact CG-NE2 3.47Å; H360-H378 AromaticContact ND1-CE1 3.25Å; H360-H378 PolarHBondContact ND1-CE1 3.39Å; H360-H378 VanDerWaalsContact ND1-CE1 3.25Å; H360-H378 AromaticContact ND1-NE2 3.09Å; H360-H378 PolarHBondContact ND1-NE2 3.14Å; H360-Y380 WeakPolarHBondContact CA-O 3.48Å; H360-T381 PolarHBondContact ND1-OG1 3.22Å
361	V	98.2	Very high	90.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.6	176.3	-175.7	0	0	0	0	108.3	M348 L350 L379 Y380 L382	M348-V361 HydrophobicContact CE-CG1 3.33Å; L350-V361 HydrophobicContact CB-CG2 4.44Å; L350-V361 HydrophobicContact CD1-CG2 4.13Å; L350-V361 HydrophobicContact CG-CG2 4.22Å; V361-L379 PolarHBondContact O-N 3.17Å; V361-Y380 HydrophobicContact CB-CD2 4.21Å; V361-Y380 HydrophobicContact CG1-CD2 4.41Å; V361-Y380 PolarHBondContact N-O 3.1Å; V361-Y380 PolarHBondContact O-N 3.27Å; V361-L382 HydrophobicContact CG2-CD1 3.74Å; V361-L382 HydrophobicContact CG2-CD2 4.44Å; V361-L382 HydrophobicContact CG2-CG 3.97Å
362	F	97.4	Very high	89.6	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.3	-179.7	-58.2	-77.4	0	0	0	111.3	V244 F329 A331 M348 L349 T351 H360 V376 H377 H378	V244-F362 HydrophobicContact CG2-CE1 4.02Å; V244-F362 HydrophobicContact CG2-CZ 3.8Å; F329-F362 HydrophobicContact CD2-CE1 4.47Å; F329-F362 AromaticContact CE2-CD1 3.98Å; F329-F362 HydrophobicContact CE2-CD1 3.98Å; F329-F362 AromaticContact CE2-CD2 3.78Å; F329-F362 HydrophobicContact CE2-CD2 3.78Å; F329-F362 HydrophobicContact CE2-CE1 4.03Å; F329-F362 AromaticContact CE2-CE2 3.81Å; F329-F362 HydrophobicContact CE2-CE2 3.81Å; F329-F362 AromaticContact CE2-CG 3.86Å; F329-F362 HydrophobicContact CE2-CG 3.86Å; F329-F362 AromaticContact CE2-CZ 3.94Å; F329-F362 HydrophobicContact CE2-CZ 3.94Å; F329-F362 HydrophobicContact CZ-CD2 4.1Å; F329-F362 HydrophobicContact CZ-CE2 4.49Å; F329-F362 HydrophobicContact CZ-CG 4.2Å; A331-F362 HydrophobicContact CB-CE2 3.97Å; A331-F362 HydrophobicContact CB-CZ 4.15Å; M348-F362 CarbonylContact C-O 3.49Å; M348-F362 WeakPolarHBondContact CA-O 3.48Å; M348-F362 WeakPolarHBondContact CB-O 3.41Å; L349-F362 PolarHBondContact N-O 3.11Å; L349-F362 PolarHBondContact O-N 2.97Å; T351-F362 HydrophobicContact CG2-CD2 4.22Å; T351-F362 HydrophobicContact CG2-CE2 4.03Å; T351-F362 WeakPolarHBondContact OG1-CE2 3.49Å; H360-F362 HydrophobicContact CB-CD2 4.3Å; H360-F362 HydrophobicContact CB-CE1 4.26Å; H360-F362 HydrophobicContact CB-CE2 3.41Å; H360-F362 VanDerWaalsContact CB-CE2 3.41Å; H360-F362 HydrophobicContact CB-CZ 3.38Å; F362-V376 HydrophobicContact CB-CG1 3.67Å; F362-V376 HydrophobicContact CD1-CG1 3.77Å; F362-V376 HydrophobicContact CG-CG1 3.92Å; F362-H377 CarbonylContact C-O 3.57Å; F362-H377 WeakPolarHBondContact CA-O 3.18Å; F362-H378 HydrophobicContact CD1-CB 3.99Å; F362-H378 HydrophobicContact CE1-CB 3.82Å; F362-H378 AromaticContact CE1-CD2 3.94Å; F362-H378 AromaticContact CE1-CG 3.77Å
363	N	95.5	Very high	89	Confident	30 Å²	30	30.4 Å²	30.4	16%	0.16	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.9	163.9	-178.2	46	0	0	0	109.2	T347 V376 H377 L379	T347-N363 PolarHBondContact O-OD1 2.84Å; N363-V376 WeakPolarHBondContact O-CA 3.34Å; N363-H377 HydrophobicContact CB-CB 4.36Å; N363-H377 PolarHBondContact N-O 2.87Å; N363-H377 PolarHBondContact O-N 2.92Å; N363-L379 HydrophobicContact CB-CD1 3.77Å; N363-L379 HydrophobicContact CB-CD2 4.37Å; N363-L379 HydrophobicContact CB-CG 4.06Å
364	V	94.4	Very high	88.7	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.024	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.6	-175.5	-178.1	0	0	0	0	109	W226 I302 V326 A327 T347 P366	W226-V364 HydrophobicContact CE3-CG1 4.4Å; W226-V364 HydrophobicContact CH2-CB 4.49Å; W226-V364 HydrophobicContact CH2-CG1 4.19Å; W226-V364 HydrophobicContact CZ3-CB 3.82Å; W226-V364 HydrophobicContact CZ3-CG1 3.78Å; I302-V364 HydrophobicContact CD1-CG1 4.31Å; I302-V364 HydrophobicContact CD1-CG2 3.55Å; V326-V364 HydrophobicContact CG1-CG1 4.01Å; A327-V364 HydrophobicContact CB-CG1 4.06Å; T347-V364 PolarHBondContact O-N 3.48Å; V364-P366 WeakPolarHBondContact O-CD 3.33Å
365	L	89.2	Confident	88.6	Confident	31 Å²	31	24.9 Å²	24.9	16%	0.162	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	96.3	173.1	-58.9	174.1	0	0	0	107.2	G374 A375 P498 R499	L365-G374 WeakPolarHBondContact O-CA 3.46Å; L365-A375 WeakPolarHBondContact CA-O 3.35Å; L365-A375 HydrophobicContact CB-CB 4.31Å; L365-A375 WeakPolarHBondContact CB-O 3.47Å; L365-A375 HydrophobicContact CD1-CB 4.38Å; L365-A375 PolarHBondContact N-O 3.48Å; L365-A375 PolarHBondContact O-N 3.22Å; L365-P498 HydrophobicContact CD1-CB 4.31Å; L365-R499 VanDerWaalsContact C-NH1 3.3Å; L365-R499 PolarHBondContact O-NH1 3.35Å
366	P	87.6	Confident	88.7	Confident	52 Å²	52	24.1 Å²	24.1	34%	0.338	13%	0.132	S	C	.	.			trans	-71.4	146.3	179.6	33.1	-39.4	0	0	0	110.3	W226 V326 V364 R499	W226-P366 HydrophobicContact CH2-CB 4.15Å; W226-P366 HydrophobicContact CH2-CG 3.74Å; W226-P366 HydrophobicContact CZ2-CB 3.92Å; W226-P366 HydrophobicContact CZ2-CG 3.71Å; V326-P366 HydrophobicContact CG1-CB 3.71Å; V364-P366 WeakPolarHBondContact O-CD 3.33Å; P366-R499 VanDerWaalsContact O-CZ 3.25Å; P366-R499 PolarHBondContact O-NH1 2.91Å; P366-R499 PolarHBondContact O-NH2 2.89Å
367	H	80.2	Confident	88.7	Confident	25 Å²	25	24.8 Å²	24.8	12%	0.116	14%	0.135	C	C	.	.			trans	-111.4	137.4	166.9	-173.1	-87	0	0	0	108.5	C369 T373	H367-C369 VanDerWaalsContact C-N 3.3Å; H367-C369 VanDerWaalsContact CE1-SG 3.53Å; H367-C369 PolarHBondContact ND1-N 2.83Å; H367-C369 PolarHBondContact O-N 3.44Å; H367-T373 WeakPolarHBondContact CB-OG1 3.47Å; H367-T373 PolarHBondContact ND1-OG1 3.42Å
368	P	73.4	Confident	88.6	Confident	75 Å²	75	20.6 Å²	20.6	49%	0.487	12%	0.12	S	C	.	.	S	Bend	trans	-75.8	-17.3	-169.1	32.8	-39.5	0	0	0	114.2	V733 V735	P368-V733 HydrophobicContact CB-CG1 3.65Å; P368-V733 HydrophobicContact CG-CG1 3.59Å; P368-V735 HydrophobicContact CG-CG2 3.5Å
369	C	73.5	Confident	88.6	Confident	51 Å²	51	19 Å²	19	35%	0.345	11%	0.113	S	C	.	.	S	Bend	trans	-81.4	-48.2	175.8	-55.9	0	0	0	0	112.6	H367	H367-C369 VanDerWaalsContact C-N 3.3Å; H367-C369 VanDerWaalsContact CE1-SG 3.53Å; H367-C369 PolarHBondContact ND1-N 2.83Å; H367-C369 PolarHBondContact O-N 3.44Å
370	D	78.7	Confident	88.5	Confident	29 Å²	29	19 Å²	19	16%	0.155	11%	0.113	C	C	.	.			trans	-165.2	152.1	-173.8	-176.7	31.1	0	0	0	112.3	S372 T373 G374	D370-S372 VanDerWaalsContact C-N 3.28Å; D370-S372 PolarHBondContact O-N 3.21Å; D370-S372 WeakPolarHBondContact OD2-CB 3.46Å; D370-S372 PolarHBondContact OD2-OG 3.22Å; D370-T373 PolarHBondContact O-N 3.3Å; D370-T373 PolarHBondContact O-OG1 2.84Å; D370-G374 PolarHBondContact O-N 2.89Å
371	S	86.7	Confident	88.5	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-64.7	-28.6	179.8	65.1	0	0	0	0	113.5	H238 S240 V325 T373 G374	H238-S371 VanDerWaalsContact CA-OG 3.27Å; H238-S371 WeakPolarHBondContact CA-OG 3.42Å; H238-S371 WeakPolarHBondContact CB-OG 3.45Å; H238-S371 CarbonylContact O-C 3.59Å; H238-S371 WeakPolarHBondContact O-CB 3.47Å; H238-S371 PolarHBondContact O-OG 3.2Å; S240-S371 VanDerWaalsContact CA-O 3.32Å; S240-S371 WeakPolarHBondContact CA-O 3.41Å; S240-S371 WeakPolarHBondContact CB-O 3.26Å; S240-S371 PolarHBondContact OG-O 3.09Å; V325-S371 WeakPolarHBondContact O-CB 3.37Å; S371-T373 PolarHBondContact O-N 2.88Å; S371-G374 WeakPolarHBondContact O-CA 3.19Å; S371-G374 PolarHBondContact O-N 3.47Å
372	S	84.3	Confident	88.4	Confident	22 Å²	22	19.1 Å²	19.1	15%	0.154	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-64.9	-26.3	177.9	67.8	0	0	0	0	113.2	Q239 F241 D370	Q239-S372 WeakPolarHBondContact O-CA 3.41Å; F241-S372 WeakPolarHBondContact CD2-O 3.33Å; F241-S372 VanDerWaalsContact CE2-O 3.29Å; F241-S372 WeakPolarHBondContact CE2-O 3.14Å; D370-S372 VanDerWaalsContact C-N 3.28Å; D370-S372 PolarHBondContact O-N 3.21Å; D370-S372 WeakPolarHBondContact OD2-CB 3.46Å; D370-S372 PolarHBondContact OD2-OG 3.22Å
373	T	81.9	Confident	88.4	Confident	28 Å²	28	21.3 Å²	21.3	17%	0.172	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-91.7	-7	173	54.3	0	0	0	0	112.9	H367 D370 S371 R499 F712	H367-T373 WeakPolarHBondContact CB-OG1 3.47Å; H367-T373 PolarHBondContact ND1-OG1 3.42Å; D370-T373 PolarHBondContact O-N 3.3Å; D370-T373 PolarHBondContact O-OG1 2.84Å; S371-T373 PolarHBondContact O-N 2.88Å; T373-R499 WeakPolarHBondContact O-CD 3.43Å; T373-F712 HydrophobicContact CG2-CE1 4.45Å; T373-F712 HydrophobicContact CG2-CZ 4.48Å
374	G	85.5	Confident	88.3	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.123	C	C	.	.			trans	-70	166.6	168.8	0	0	0	0	0	112.1	F241 L365 D370 S371	F241-G374 WeakPolarHBondContact CB-O 3.5Å; F241-G374 WeakPolarHBondContact CD2-O 3.26Å; F241-G374 PolarHBondContact N-O 3Å; L365-G374 WeakPolarHBondContact O-CA 3.46Å; D370-G374 PolarHBondContact O-N 2.89Å; S371-G374 WeakPolarHBondContact O-CA 3.19Å; S371-G374 PolarHBondContact O-N 3.47Å
375	A	86.2	Confident	88.1	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.6	173.4	0	0	0	0	0	112.2	F241 L365 R499	F241-A375 HydrophobicContact CB-CB 3.98Å; F241-A375 CarbonylContact O-C 3.6Å; F241-A375 WeakPolarHBondContact O-CA 3.47Å; L365-A375 WeakPolarHBondContact CA-O 3.35Å; L365-A375 HydrophobicContact CB-CB 4.31Å; L365-A375 WeakPolarHBondContact CB-O 3.47Å; L365-A375 HydrophobicContact CD1-CB 4.38Å; L365-A375 PolarHBondContact N-O 3.48Å; L365-A375 PolarHBondContact O-N 3.22Å; A375-R499 VanDerWaalsContact CB-CA 3.49Å; A375-R499 HydrophobicContact CB-CB 3.71Å; A375-R499 HydrophobicContact CB-CG 3.86Å
376	V	93.1	Very high	88.1	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	109.2	-179.9	-177.1	0	0	0	0	108.5	F241 G242 G243 A327 F329 F362 N363	F241-V376 PolarHBondContact O-N 2.71Å; G242-V376 WeakPolarHBondContact CA-O 3.34Å; G243-V376 PolarHBondContact N-O 2.96Å; A327-V376 HydrophobicContact CB-CG2 3.75Å; F329-V376 HydrophobicContact CB-CG2 4.47Å; F329-V376 HydrophobicContact CD1-CB 4.23Å; F329-V376 HydrophobicContact CD1-CG1 4.07Å; F329-V376 HydrophobicContact CD1-CG2 3.66Å; F329-V376 HydrophobicContact CD2-CB 4.43Å; F329-V376 HydrophobicContact CD2-CG1 3.89Å; F329-V376 HydrophobicContact CE1-CG1 3.94Å; F329-V376 HydrophobicContact CE1-CG2 4.01Å; F329-V376 HydrophobicContact CE2-CG1 3.77Å; F329-V376 HydrophobicContact CG-CB 4.17Å; F329-V376 HydrophobicContact CG-CG1 4.05Å; F329-V376 HydrophobicContact CG-CG2 4.04Å; F329-V376 HydrophobicContact CZ-CG1 3.79Å; F362-V376 HydrophobicContact CB-CG1 3.67Å; F362-V376 HydrophobicContact CD1-CG1 3.77Å; F362-V376 HydrophobicContact CG-CG1 3.92Å; N363-V376 WeakPolarHBondContact O-CA 3.34Å
377	H	91.4	Very high	88.3	Confident	15 Å²	15	31 Å²	31	7%	0.069	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	123.2	-177.9	-72.2	-174	0	0	0	110.8	F362 N363 L379 P498 Y503	F362-H377 CarbonylContact C-O 3.57Å; F362-H377 WeakPolarHBondContact CA-O 3.18Å; N363-H377 HydrophobicContact CB-CB 4.36Å; N363-H377 PolarHBondContact N-O 2.87Å; N363-H377 PolarHBondContact O-N 2.92Å; H377-L379 HydrophobicContact CB-CD2 4.09Å; H377-L379 PolarHBondContact O-N 3.41Å; H377-P498 PolarHBondContact CE1-O 2.86Å; H377-P498 PolarHBondContact NE2-O 2.93Å; H377-Y503 AromaticContact CD2-CD1 3.94Å; H377-Y503 AromaticContact NE2-CD1 3.82Å
378	H	94.3	Very high	88.8	Confident	18 Å²	18	34.2 Å²	34.2	8%	0.083	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	100.4	172.7	-171.8	-175.6	0	0	0	109.8	H360 F362 Y380 T381 P506	H360-H378 WeakPolarHBondContact CB-NE2 3.5Å; H360-H378 AromaticContact CE1-CE1 3.91Å; H360-H378 AromaticContact CG-CE1 3.73Å; H360-H378 AromaticContact CG-NE2 3.47Å; H360-H378 AromaticContact ND1-CE1 3.25Å; H360-H378 PolarHBondContact ND1-CE1 3.39Å; H360-H378 VanDerWaalsContact ND1-CE1 3.25Å; H360-H378 AromaticContact ND1-NE2 3.09Å; H360-H378 PolarHBondContact ND1-NE2 3.14Å; F362-H378 HydrophobicContact CD1-CB 3.99Å; F362-H378 HydrophobicContact CE1-CB 3.82Å; F362-H378 AromaticContact CE1-CD2 3.94Å; F362-H378 AromaticContact CE1-CG 3.77Å; H378-Y380 PolarHBondContact CD2-O 3.02Å; H378-Y380 PolarHBondContact NE2-O 2.81Å; H378-Y380 VanDerWaalsContact NE2-O 3.08Å; H378-T381 PolarHBondContact CE1-OG1 3.19Å; H378-T381 PolarHBondContact NE2-OG1 3.19Å; H378-P506 HydrophobicContact CB-CB 4.41Å; H378-P506 WeakPolarHBondContact O-CA 3.36Å; H378-P506 WeakPolarHBondContact O-CB 3.16Å
379	L	93.8	Very high	89.5	Confident	11 Å²	11	31.1 Å²	31.1	6%	0.058	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-44.3	-174.2	-60.5	-174.6	0	0	0	112.8	M348 V361 N363 H377 P506 V507	M348-L379 HydrophobicContact CE-CD1 4.03Å; V361-L379 PolarHBondContact O-N 3.17Å; N363-L379 HydrophobicContact CB-CD1 3.77Å; N363-L379 HydrophobicContact CB-CD2 4.37Å; N363-L379 HydrophobicContact CB-CG 4.06Å; H377-L379 HydrophobicContact CB-CD2 4.09Å; H377-L379 PolarHBondContact O-N 3.41Å; L379-P506 WeakPolarHBondContact O-CA 3.13Å; L379-V507 PolarHBondContact O-N 3.03Å
380	Y	95.9	Very high	90.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	143.8	-175.6	-62	-87.9	0	0	0	112.6	H360 V361 H378 L382 I417 T418 G421 G422 V507 Q509	H360-Y380 WeakPolarHBondContact CA-O 3.48Å; V361-Y380 HydrophobicContact CB-CD2 4.21Å; V361-Y380 HydrophobicContact CG1-CD2 4.41Å; V361-Y380 PolarHBondContact N-O 3.1Å; V361-Y380 PolarHBondContact O-N 3.27Å; H378-Y380 PolarHBondContact CD2-O 3.02Å; H378-Y380 PolarHBondContact NE2-O 2.81Å; H378-Y380 VanDerWaalsContact NE2-O 3.08Å; Y380-L382 HydrophobicContact CG-CD2 4.36Å; Y380-I417 HydrophobicContact CD1-CG2 4.37Å; Y380-I417 HydrophobicContact CD2-CB 4.2Å; Y380-I417 HydrophobicContact CD2-CG2 4.07Å; Y380-I417 HydrophobicContact CE2-CB 3.84Å; Y380-I417 HydrophobicContact CE2-CG2 4.18Å; Y380-I417 HydrophobicContact CG-CG2 4.18Å; Y380-T418 PolarHBondContact OH-N 2.83Å; Y380-T418 PolarHBondContact OH-OG1 2.97Å; Y380-G421 VanDerWaalsContact OH-C 3.26Å; Y380-G421 WeakPolarHBondContact OH-CA 3.39Å; Y380-G422 VanDerWaalsContact CE1-O 3.23Å; Y380-G422 WeakPolarHBondContact CE1-O 3.42Å; Y380-G422 VanDerWaalsContact CZ-O 3.29Å; Y380-G422 PolarHBondContact OH-N 3.08Å; Y380-G422 PolarHBondContact OH-O 2.96Å; Y380-V507 VanDerWaalsContact CA-O 3.27Å; Y380-V507 WeakPolarHBondContact CA-O 3.18Å; Y380-V507 HydrophobicContact CD1-CB 3.62Å; Y380-V507 HydrophobicContact CD1-CG1 4.04Å; Y380-V507 HydrophobicContact CE1-CB 3.77Å; Y380-V507 HydrophobicContact CE1-CG1 4Å; Y380-V507 HydrophobicContact CE1-CG2 4.39Å; Y380-Q509 HydrophobicContact CD1-CB 4.35Å
381	T	96.7	Very high	90.6	Very high	10 Å²	10	30.6 Å²	30.6	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	111.3	157.6	-55.7	0	0	0	0	108.3	E358 F359 H360 H378 F383 V507 A508 Q509	E358-T381 HydrophobicContact CB-CG2 4.3Å; F359-T381 CarbonylContact O-C 3.53Å; F359-T381 WeakPolarHBondContact O-CA 3.48Å; H360-T381 PolarHBondContact ND1-OG1 3.22Å; H378-T381 PolarHBondContact CE1-OG1 3.19Å; H378-T381 PolarHBondContact NE2-OG1 3.19Å; T381-F383 HydrophobicContact CG2-CD2 4.3Å; T381-F383 HydrophobicContact CG2-CE1 3.91Å; T381-F383 HydrophobicContact CG2-CE2 3.59Å; T381-F383 HydrophobicContact CG2-CZ 3.37Å; T381-F383 WeakPolarHBondContact O-CD2 3.46Å; T381-V507 PolarHBondContact N-O 3.15Å; T381-A508 WeakPolarHBondContact O-CA 3.17Å; T381-Q509 PolarHBondContact O-N 2.92Å
382	L	97.5	Very high	90.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.6	-179.9	-49.7	-176.9	0	0	0	110.1	L350 E358 F359 V361 Y380 V403 F415 I417 Q509	L350-L382 HydrophobicContact CD1-CD1 3.92Å; E358-L382 CarbonylContact C-O 3.52Å; E358-L382 WeakPolarHBondContact CA-O 3.42Å; F359-L382 HydrophobicContact CB-CB 4.17Å; F359-L382 PolarHBondContact N-O 3.05Å; F359-L382 PolarHBondContact O-N 3.48Å; V361-L382 HydrophobicContact CG2-CD1 3.74Å; V361-L382 HydrophobicContact CG2-CD2 4.44Å; V361-L382 HydrophobicContact CG2-CG 3.97Å; Y380-L382 HydrophobicContact CG-CD2 4.36Å; L382-V403 HydrophobicContact CD1-CB 4.45Å; L382-V403 HydrophobicContact CD1-CG1 4.15Å; L382-F415 HydrophobicContact CB-CD1 3.8Å; L382-F415 HydrophobicContact CB-CE1 3.75Å; L382-F415 HydrophobicContact CB-CG 4.27Å; L382-F415 HydrophobicContact CB-CZ 4.18Å; L382-F415 HydrophobicContact CD1-CB 4.22Å; L382-F415 HydrophobicContact CD1-CD1 4.39Å; L382-F415 HydrophobicContact CD1-CD2 4.24Å; L382-F415 HydrophobicContact CD1-CG 4.04Å; L382-F415 HydrophobicContact CD2-CB 4.32Å; L382-F415 HydrophobicContact CD2-CD1 4.19Å; L382-F415 HydrophobicContact CD2-CG 4.4Å; L382-F415 HydrophobicContact CG-CD1 4.35Å; L382-F415 HydrophobicContact CG-CG 4.48Å; L382-I417 HydrophobicContact CD2-CG2 3.83Å; L382-Q509 CarbonylContact C-O 3.59Å; L382-Q509 VanDerWaalsContact CA-O 3.26Å; L382-Q509 WeakPolarHBondContact CA-O 3.49Å; L382-Q509 HydrophobicContact CD2-CB 3.8Å; L382-Q509 HydrophobicContact CD2-CG 4.19Å
383	F	96.7	Very high	91	Very high	45 Å²	45	31.5 Å²	31.5	20%	0.197	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.3	-179	-65.3	-82.2	0	0	0	111.2	E358 T381 F415 A508 Q509 F510 A511	E358-F383 HydrophobicContact CB-CD1 4.15Å; E358-F383 HydrophobicContact CB-CE1 4.28Å; E358-F383 WeakPolarHBondContact OE2-CE1 3.42Å; T381-F383 HydrophobicContact CG2-CD2 4.3Å; T381-F383 HydrophobicContact CG2-CE1 3.91Å; T381-F383 HydrophobicContact CG2-CE2 3.59Å; T381-F383 HydrophobicContact CG2-CZ 3.37Å; T381-F383 WeakPolarHBondContact O-CD2 3.46Å; F383-F415 WeakPolarHBondContact O-CE1 3.29Å; F383-A508 HydrophobicContact CD2-CB 4.39Å; F383-A508 HydrophobicContact CE2-CB 3.73Å; F383-Q509 PolarHBondContact N-O 2.89Å; F383-F510 HydrophobicContact CB-CD1 3.57Å; F383-F510 HydrophobicContact CB-CE1 3.56Å; F383-F510 HydrophobicContact CB-CG 4.3Å; F383-F510 HydrophobicContact CB-CZ 4.28Å; F383-F510 HydrophobicContact CD2-CE1 4.34Å; F383-F510 HydrophobicContact CD2-CE2 4.49Å; F383-F510 HydrophobicContact CD2-CZ 4.22Å; F383-F510 HydrophobicContact CG-CD1 4.43Å; F383-F510 HydrophobicContact CG-CE1 4.03Å; F383-F510 HydrophobicContact CG-CZ 4.3Å; F383-A511 PolarHBondContact O-N 3.42Å
384	R	93.8	Very high	91.7	Very high	39 Å²	39	31.7 Å²	31.7	15%	0.147	19%	0.187	C	C	.	.			trans	-74.4	-40.4	175.5	-168.8	-148.4	85	115.5	-1.4	112	G356 R357 F359 T387 A389 H413 F415	G356-R384 WeakPolarHBondContact O-CD 3.47Å; R357-R384 WeakPolarHBondContact O-CB 3.23Å; R357-R384 PolarHBondContact O-N 3.33Å; F359-R384 HydrophobicContact CE2-CB 3.94Å; R384-T387 PolarHBondContact NH2-O 3.37Å; R384-A389 VanDerWaalsContact CZ-CB 3.44Å; R384-H413 HydrophobicContact CG-CB 4.01Å; R384-H413 WeakPolarHBondContact CG-CD2 3.42Å; R384-H413 VanDerWaalsContact CG-CG 3.41Å; R384-H413 PolarHBondContact NH1-NE2 2.75Å; R384-F415 HydrophobicContact CB-CZ 4.29Å
385	G	90	Very high	92.2	Very high	27 Å²	27	33 Å²	33	28%	0.278	20%	0.195	S	C	.	.			trans	156.5	179	179.8	0	0	0	0	0	113	R357	R357-G385 WeakPolarHBondContact CB-O 3.42Å
386	N	89.3	Confident	92.8	Very high	150 Å²	150	33.5 Å²	33.5	80%	0.802	20%	0.197	S	C	*	.	S	Bend	trans	-82.2	-21.8	-169.4	-62.7	-19.2	0	0	0	114.6	R357	R357-N386 WeakPolarHBondContact CD-O 3.49Å; R357-N386 PolarHBondContact NE-O 3.03Å
387	T	90.8	Very high	93	Very high	104 Å²	104	33.5 Å²	33.5	64%	0.638	20%	0.197	S	C	*	.	S	Bend	trans	-93.5	136.3	-176.7	-48.8	0	0	0	0	110.5	R384	R384-T387 PolarHBondContact NH2-O 3.37Å
388	N	91	Very high	93	Very high	93 Å²	93	38 Å²	38	50%	0.497	22%	0.222	S	C	.	.			trans	-51.4	140.8	173.3	-76.5	0.1	0	0	0	111.2	S355 R357	S355-N388 WeakPolarHBondContact O-CA 3.43Å; R357-N388 PolarHBondContact NE-OD1 3.09Å; R357-N388 PolarHBondContact NH2-OD1 2.69Å
389	A	87.9	Confident	93	Very high	11 Å²	11	39 Å²	39	9%	0.091	23%	0.228	C	C	.	.			trans	-149.1	135	171.4	0	0	0	0	0	110.1	S355 G356 R384 T407	S355-A389 PolarHBondContact O-N 2.86Å; G356-A389 WeakPolarHBondContact CA-O 3.45Å; R384-A389 VanDerWaalsContact CZ-CB 3.44Å; A389-T407 HydrophobicContact CB-CG2 3.79Å
390	A	86.8	Confident	93.1	Very high	44 Å²	44	38.8 Å²	38.8	36%	0.364	23%	0.227	S	C	.	.			trans	-71.1	131.1	170.2	0	0	0	0	0	109.6	T407 V408	A390-T407 CarbonylContact O-C 3.55Å; A390-T407 VanDerWaalsContact O-CA 3.24Å; A390-T407 WeakPolarHBondContact O-CA 3.48Å; A390-T407 WeakPolarHBondContact O-CB 3.18Å; A390-V408 HydrophobicContact CB-CB 4.32Å; A390-V408 HydrophobicContact CB-CG2 3.44Å; A390-V408 VanDerWaalsContact CB-CG2 3.44Å; A390-V408 PolarHBondContact O-N 3.39Å
391	V	90	Very high	93.1	Very high	25 Å²	25	39.3 Å²	39.3	15%	0.152	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	136.7	-180	-179.6	0	0	0	0	108.5	C339 F359 I394 V405	C339-V391 HydrophobicContact CB-CG1 4.38Å; F359-V391 HydrophobicContact CE1-CG2 3.8Å; F359-V391 HydrophobicContact CZ-CG2 3.6Å; V391-I394 HydrophobicContact CG1-CD1 4.34Å; V391-I394 HydrophobicContact CG1-CG1 3.99Å; V391-V405 HydrophobicContact CG1-CG1 3.83Å; V391-V405 HydrophobicContact CG2-CG1 4.11Å
392	Q	87	Confident	93.1	Very high	17 Å²	17	39 Å²	39	8%	0.079	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-25	174.9	-78.9	-170.5	-2.7	0	0	112.1	T406 V408 Y546 L547 T548	Q392-T406 PolarHBondContact N-O 2.85Å; Q392-V408 HydrophobicContact CG-CB 4.36Å; Q392-V408 HydrophobicContact CG-CG2 3.58Å; Q392-Y546 PolarHBondContact NE2-O 2.67Å; Q392-L547 HydrophobicContact CB-CD2 3.73Å; Q392-L547 HydrophobicContact CG-CD2 4.43Å; Q392-L547 WeakPolarHBondContact O-CD2 3.27Å; Q392-T548 PolarHBondContact OE1-OG1 2.91Å
393	G	90.9	Very high	93.1	Very high	24 Å²	24	39 Å²	39	25%	0.247	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	144.2	-176.5	0	0	0	0	0	113.2	V405 T406	G393-V405 CarbonylContact O-C 3.49Å; G393-V405 WeakPolarHBondContact O-CA 3.26Å; G393-T406 PolarHBondContact N-O 2.81Å; G393-T406 PolarHBondContact O-N 2.96Å
394	I	96.5	Very high	93.2	Very high	31 Å²	31	36.9 Å²	36.9	16%	0.159	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127	175.3	-56.5	173	0	0	0	106.7	C339 A341 L350 F359 V391 A404 V405	C339-I394 HydrophobicContact CB-CD1 3.9Å; A341-I394 HydrophobicContact CB-CB 3.9Å; A341-I394 HydrophobicContact CB-CG2 3.8Å; L350-I394 HydrophobicContact CD1-CG2 3.91Å; L350-I394 HydrophobicContact CD2-CD1 3.64Å; L350-I394 HydrophobicContact CD2-CG1 4.49Å; L350-I394 HydrophobicContact CD2-CG2 3.83Å; L350-I394 HydrophobicContact CG-CG2 4.35Å; F359-I394 HydrophobicContact CD1-CD1 4.5Å; F359-I394 HydrophobicContact CE1-CD1 4.49Å; V391-I394 HydrophobicContact CG1-CD1 4.34Å; V391-I394 HydrophobicContact CG1-CG1 3.99Å; I394-A404 WeakPolarHBondContact CA-O 3.19Å; I394-V405 HydrophobicContact CG1-CG2 4.49Å
395	V	96.9	Very high	93.4	Very high	27 Å²	27	35 Å²	35	16%	0.164	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	135.7	-179.8	63.4	0	0	0	0	110.5	V403 A404 F553	V395-V403 CarbonylContact O-C 3.38Å; V395-V403 VanDerWaalsContact O-CA 3.31Å; V395-V403 WeakPolarHBondContact O-CA 3.48Å; V395-A404 HydrophobicContact CG1-CB 3.78Å; V395-A404 PolarHBondContact N-O 2.99Å; V395-A404 PolarHBondContact O-N 2.89Å; V395-F553 HydrophobicContact CG1-CD2 4.17Å; V395-F553 HydrophobicContact CG1-CE2 4.11Å
396	F	98.2	Very high	93.6	Very high	12 Å²	12	33.9 Å²	33.9	5%	0.053	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	149.9	169	-75	-98.5	0	0	0	109.4	A341 N343 P344 L350 W402 V403 I417	A341-F396 HydrophobicContact CB-CE2 4.45Å; N343-F396 HydrophobicContact CB-CB 4.39Å; N343-F396 HydrophobicContact CB-CD1 3.72Å; N343-F396 HydrophobicContact CB-CD2 4.08Å; N343-F396 HydrophobicContact CB-CE1 3.86Å; N343-F396 HydrophobicContact CB-CE2 4.2Å; N343-F396 HydrophobicContact CB-CG 3.82Å; N343-F396 HydrophobicContact CB-CZ 4.08Å; P344-F396 HydrophobicContact CG-CB 4.43Å; L350-F396 HydrophobicContact CB-CE2 3.83Å; L350-F396 HydrophobicContact CB-CZ 3.63Å; L350-F396 HydrophobicContact CD1-CE2 4.46Å; L350-F396 HydrophobicContact CD1-CZ 4.23Å; F396-W402 CarbonylContact C-O 3.45Å; F396-W402 WeakPolarHBondContact CA-O 3.47Å; F396-V403 HydrophobicContact CD1-CG2 3.45Å; F396-V403 VanDerWaalsContact CD1-CG2 3.45Å; F396-V403 HydrophobicContact CE1-CG2 3.46Å; F396-V403 VanDerWaalsContact CE1-CG2 3.46Å; F396-V403 HydrophobicContact CG-CG2 4.07Å; F396-V403 HydrophobicContact CZ-CG2 4.08Å; F396-I417 HydrophobicContact CD1-CD1 4.16Å; F396-I417 HydrophobicContact CE1-CD1 3.82Å
397	S	96.6	Very high	93.7	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	16%	0.16	C	C	.	.			trans	-67.1	156.9	159.2	58.2	0	0	0	0	110.8	D399 S400 R401 W402	S397-D399 WeakPolarHBondContact CB-OD1 3.39Å; S397-D399 PolarHBondContact O-N 2.92Å; S397-D399 PolarHBondContact OG-OD1 3.26Å; S397-S400 WeakPolarHBondContact O-CA 3.32Å; S397-S400 PolarHBondContact O-N 3.28Å; S397-R401 PolarHBondContact OG-N 2.93Å; S397-W402 PolarHBondContact N-O 3.42Å; S397-W402 PolarHBondContact OG-N 2.58Å; S397-W402 PolarHBondContact OG-O 2.69Å
398	D	93.2	Very high	93.4	Very high	109 Å²	109	24 Å²	24	58%	0.583	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-34.2	-178.9	-69.5	-23.6	0	0	0	112.9	S400	D398-S400 VanDerWaalsContact C-N 3.34Å
399	D	92.8	Very high	93	Very high	40 Å²	40	24.1 Å²	24.1	21%	0.214	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	0.9	177.2	67.1	1.6	0	0	0	114.4	S397 R401 V434	S397-D399 WeakPolarHBondContact CB-OD1 3.39Å; S397-D399 PolarHBondContact O-N 2.92Å; S397-D399 PolarHBondContact OG-OD1 3.26Å; D399-R401 PolarHBondContact O-N 3.31Å; D399-R401 PolarHBondContact OD1-N 3.35Å; D399-R401 IonicContact OD2-CZ 3.11Å; D399-R401 VanDerWaalsContact OD2-CZ 3.25Å; D399-R401 IonicContact OD2-NE 3.98Å; D399-R401 PolarHBondContact OD2-NE 3.17Å; D399-R401 IonicContact OD2-NH2 2.72Å; D399-R401 PolarHBondContact OD2-NH2 2.94Å; D399-V434 HydrophobicContact CB-CG2 3.81Å
400	S	96.1	Very high	92.9	Very high	6 Å²	6	24 Å²	24	4%	0.042	14%	0.143	C	C	.	.	S	Bend	trans	55.2	29.1	-177.7	-53.4	0	0	0	0	114.9	N343 S397 D398 I417	N343-S400 PolarHBondContact ND2-OG 2.69Å; S397-S400 WeakPolarHBondContact O-CA 3.32Å; S397-S400 PolarHBondContact O-N 3.28Å; D398-S400 VanDerWaalsContact C-N 3.34Å; S400-I417 WeakPolarHBondContact O-CD1 3.46Å; S400-I417 WeakPolarHBondContact O-CG1 3.42Å
401	R	95.5	Very high	93.1	Very high	10 Å²	10	22.6 Å²	22.6	4%	0.038	13%	0.13	C	C	.	.	S	Bend	trans	-94.1	-17.6	171.7	-65.6	-168.1	-62.7	159.6	1.8	113.8	S397 D399 I417 T428 H429 S431 S432 K433 V434	S397-R401 PolarHBondContact OG-N 2.93Å; D399-R401 PolarHBondContact O-N 3.31Å; D399-R401 PolarHBondContact OD1-N 3.35Å; D399-R401 IonicContact OD2-CZ 3.11Å; D399-R401 VanDerWaalsContact OD2-CZ 3.25Å; D399-R401 IonicContact OD2-NE 3.98Å; D399-R401 PolarHBondContact OD2-NE 3.17Å; D399-R401 IonicContact OD2-NH2 2.72Å; D399-R401 PolarHBondContact OD2-NH2 2.94Å; R401-I417 CarbonylContact C-O 3.57Å; R401-I417 VanDerWaalsContact CA-O 3.31Å; R401-I417 WeakPolarHBondContact CA-O 3.18Å; R401-I417 PolarHBondContact O-N 3.29Å; R401-T428 VanDerWaalsContact CD-O 3.3Å; R401-T428 WeakPolarHBondContact CD-O 3.36Å; R401-T428 PolarHBondContact NH1-O 2.8Å; R401-H429 PolarHBondContact O-NE2 2.87Å; R401-H429 VanDerWaalsContact O-NE2 3.15Å; R401-S431 PolarHBondContact NH1-O 2.75Å; R401-S431 PolarHBondContact NH2-O 2.73Å; R401-S432 PolarHBondContact NH2-O 2.87Å; R401-K433 PolarHBondContact NH1-O 3.23Å; R401-V434 HydrophobicContact CG-CG2 4.31Å
402	W	97.7	Very high	93.4	Very high	5 Å²	5	21.4 Å²	21.4	2%	0.019	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.2	179.8	-55.8	90.3	0	0	0	110.6	F396 S397 V414 F415 A416 H429 V512 F553 L573 V589 V591 V610	F396-W402 CarbonylContact C-O 3.45Å; F396-W402 WeakPolarHBondContact CA-O 3.47Å; S397-W402 PolarHBondContact N-O 3.42Å; S397-W402 PolarHBondContact OG-N 2.58Å; S397-W402 PolarHBondContact OG-O 2.69Å; W402-V414 HydrophobicContact CE3-CG1 3.86Å; W402-V414 HydrophobicContact CZ3-CG1 4.35Å; W402-F415 WeakPolarHBondContact CA-O 3.43Å; W402-A416 HydrophobicContact CE3-CB 4.33Å; W402-A416 HydrophobicContact CZ3-CB 4.04Å; W402-H429 AromaticContact CE2-CD2 3.69Å; W402-H429 AromaticContact CH2-CD2 3.9Å; W402-H429 HydrophobicContact CZ2-CB 4.3Å; W402-H429 AromaticContact CZ2-CD2 3.52Å; W402-V512 HydrophobicContact CZ3-CG2 4.04Å; W402-F553 HydrophobicContact CB-CD1 4.33Å; W402-F553 HydrophobicContact CB-CD2 4.46Å; W402-F553 HydrophobicContact CB-CE1 3.81Å; W402-F553 HydrophobicContact CB-CE2 3.96Å; W402-F553 HydrophobicContact CB-CZ 3.61Å; W402-F553 HydrophobicContact CG-CE1 4.38Å; W402-L573 HydrophobicContact CG-CD2 4Å; W402-L573 VanDerWaalsContact NE1-CD2 3.3Å; W402-V589 HydrophobicContact CH2-CG1 3.72Å; W402-V589 HydrophobicContact CZ2-CG1 3.66Å; W402-V589 HydrophobicContact CZ3-CG1 4.26Å; W402-V591 HydrophobicContact CH2-CG2 4.03Å; W402-V591 HydrophobicContact CZ2-CG2 4Å; W402-V610 HydrophobicContact CH2-CB 4.29Å; W402-V610 HydrophobicContact CH2-CG1 3.61Å; W402-V610 HydrophobicContact CH2-CG2 3.66Å; W402-V610 HydrophobicContact CZ3-CB 4.38Å; W402-V610 HydrophobicContact CZ3-CG1 3.73Å; W402-V610 HydrophobicContact CZ3-CG2 3.92Å
403	V	98.4	Very high	93.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.9	171.6	168.7	0	0	0	0	108	L350 L382 V395 F396 V405 V414 F415 I417	L350-V403 HydrophobicContact CD1-CB 4.47Å; L350-V403 HydrophobicContact CD1-CG1 3.44Å; L350-V403 VanDerWaalsContact CD1-CG1 3.44Å; L350-V403 HydrophobicContact CD1-CG2 4.27Å; L382-V403 HydrophobicContact CD1-CB 4.45Å; L382-V403 HydrophobicContact CD1-CG1 4.15Å; V395-V403 CarbonylContact O-C 3.38Å; V395-V403 VanDerWaalsContact O-CA 3.31Å; V395-V403 WeakPolarHBondContact O-CA 3.48Å; F396-V403 HydrophobicContact CD1-CG2 3.45Å; F396-V403 VanDerWaalsContact CD1-CG2 3.45Å; F396-V403 HydrophobicContact CE1-CG2 3.46Å; F396-V403 VanDerWaalsContact CE1-CG2 3.46Å; F396-V403 HydrophobicContact CG-CG2 4.07Å; F396-V403 HydrophobicContact CZ-CG2 4.08Å; V403-V405 HydrophobicContact CG1-CG2 4.39Å; V403-V414 CarbonylContact O-C 3.57Å; V403-V414 WeakPolarHBondContact O-CA 3.3Å; V403-F415 HydrophobicContact CB-CB 4.38Å; V403-F415 HydrophobicContact CG1-CD2 4.4Å; V403-F415 PolarHBondContact N-O 3.41Å; V403-F415 PolarHBondContact O-N 3.43Å; V403-I417 HydrophobicContact CG2-CD1 3.51Å; V403-I417 HydrophobicContact CG2-CG1 4.05Å
404	A	98.2	Very high	94.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.7	168.1	0	0	0	0	0	110.8	I394 V395 H413 V414 F553 F575	I394-A404 WeakPolarHBondContact CA-O 3.19Å; V395-A404 HydrophobicContact CG1-CB 3.78Å; V395-A404 PolarHBondContact N-O 2.99Å; V395-A404 PolarHBondContact O-N 2.89Å; A404-H413 CarbonylContact C-O 3.49Å; A404-H413 VanDerWaalsContact CA-O 3.28Å; A404-H413 WeakPolarHBondContact CA-O 3.38Å; A404-V414 HydrophobicContact CB-CG2 4.1Å; A404-F553 HydrophobicContact CB-CE2 3.77Å; A404-F553 HydrophobicContact CB-CZ 3.85Å; A404-F575 HydrophobicContact CB-CD2 4.44Å; A404-F575 HydrophobicContact CB-CE2 3.48Å; A404-F575 VanDerWaalsContact CB-CE2 3.48Å; A404-F575 HydrophobicContact CB-CZ 4Å
405	V	97.5	Very high	94.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	118.8	173	178	0	0	0	0	109	F359 V391 G393 I394 V403 S412 H413 F415	F359-V405 HydrophobicContact CD1-CG2 4.28Å; F359-V405 HydrophobicContact CD2-CG2 4.25Å; F359-V405 HydrophobicContact CE1-CG1 3.87Å; F359-V405 HydrophobicContact CE1-CG2 4.22Å; F359-V405 HydrophobicContact CE2-CG1 3.99Å; F359-V405 HydrophobicContact CE2-CG2 4.22Å; F359-V405 HydrophobicContact CG-CG2 4.33Å; F359-V405 HydrophobicContact CZ-CB 4.39Å; F359-V405 HydrophobicContact CZ-CG1 3.48Å; F359-V405 VanDerWaalsContact CZ-CG1 3.48Å; F359-V405 HydrophobicContact CZ-CG2 4.22Å; V391-V405 HydrophobicContact CG1-CG1 3.83Å; V391-V405 HydrophobicContact CG2-CG1 4.11Å; G393-V405 CarbonylContact O-C 3.49Å; G393-V405 WeakPolarHBondContact O-CA 3.26Å; I394-V405 HydrophobicContact CG1-CG2 4.49Å; V403-V405 HydrophobicContact CG1-CG2 4.39Å; V405-S412 CarbonylContact O-C 3.45Å; V405-S412 WeakPolarHBondContact O-CA 3.3Å; V405-H413 PolarHBondContact N-O 2.82Å; V405-H413 PolarHBondContact O-N 3.14Å; V405-F415 HydrophobicContact CB-CE2 4.3Å; V405-F415 HydrophobicContact CG2-CE2 3.98Å
406	T	94.6	Very high	94.2	Very high	2 Å²	2	17 Å²	17	1%	0.012	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.9	178.8	-52.5	0	0	0	0	110	Q392 G393 S412 Q549	Q392-T406 PolarHBondContact N-O 2.85Å; G393-T406 PolarHBondContact N-O 2.81Å; G393-T406 PolarHBondContact O-N 2.96Å; T406-S412 PolarHBondContact OG1-OG 2.84Å; T406-Q549 HydrophobicContact CG2-CB 4.01Å; T406-Q549 HydrophobicContact CG2-CG 4.04Å
407	T	91.6	Very high	94.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	159.3	-179.4	57	0	0	0	0	111.8	A389 A390 N409 G410 T411	A389-T407 HydrophobicContact CB-CG2 3.79Å; A390-T407 CarbonylContact O-C 3.55Å; A390-T407 VanDerWaalsContact O-CA 3.24Å; A390-T407 WeakPolarHBondContact O-CA 3.48Å; A390-T407 WeakPolarHBondContact O-CB 3.18Å; T407-N409 PolarHBondContact O-N 2.65Å; T407-G410 WeakPolarHBondContact O-CA 3.33Å; T407-G410 PolarHBondContact O-N 3.26Å; T407-T411 PolarHBondContact N-O 2.99Å; T407-T411 PolarHBondContact OG1-O 2.95Å
408	V	84	Confident	94	Very high	46 Å²	46	16.4 Å²	16.4	28%	0.279	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-27.2	177.8	177.8	0	0	0	0	112.7	A390 Q392 G410	A390-V408 HydrophobicContact CB-CB 4.32Å; A390-V408 HydrophobicContact CB-CG2 3.44Å; A390-V408 VanDerWaalsContact CB-CG2 3.44Å; A390-V408 PolarHBondContact O-N 3.39Å; Q392-V408 HydrophobicContact CG-CB 4.36Å; Q392-V408 HydrophobicContact CG-CG2 3.58Å; V408-G410 PolarHBondContact O-N 3.41Å; V408-G410 VanDerWaalsContact O-N 3.08Å
409	N	83.7	Confident	93.9	Very high	97 Å²	97	12.9 Å²	12.9	52%	0.519	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	7	174.9	-62.4	59.8	0	0	0	113.7	T407 T411	T407-N409 PolarHBondContact O-N 2.65Å; N409-T411 PolarHBondContact O-N 3.02Å
410	G	84.1	Confident	93.7	Very high	7 Å²	7	14.1 Å²	14.1	7%	0.072	8%	0.076	C	C	.	.	S	Bend	trans	70.8	5.3	-176.3	0	0	0	0	0	114.2	T407 V408 P517	T407-G410 WeakPolarHBondContact O-CA 3.33Å; T407-G410 PolarHBondContact O-N 3.26Å; V408-G410 PolarHBondContact O-N 3.41Å; V408-G410 VanDerWaalsContact O-N 3.08Å; G410-P517 WeakPolarHBondContact O-CD 3.45Å
411	T	91.7	Very high	93.3	Very high	15 Å²	15	14 Å²	14	9%	0.092	8%	0.076	C	C	.	.			trans	-89.7	128.5	-178.8	-55.3	0	0	0	0	110.3	T407 N409 K514 V515	T407-T411 PolarHBondContact N-O 2.99Å; T407-T411 PolarHBondContact OG1-O 2.95Å; N409-T411 PolarHBondContact O-N 3.02Å; T411-K514 HydrophobicContact CG2-CD 4.11Å; T411-K514 HydrophobicContact CG2-CG 3.56Å; T411-V515 CarbonylContact C-O 3.59Å; T411-V515 WeakPolarHBondContact CA-O 3.42Å; T411-V515 WeakPolarHBondContact CG2-O 3.11Å
412	S	95.7	Very high	92.9	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.007	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.8	174.7	-54.8	0	0	0	0	110.9	V405 T406 K514 V515	V405-S412 CarbonylContact O-C 3.45Å; V405-S412 WeakPolarHBondContact O-CA 3.3Å; T406-S412 PolarHBondContact OG1-OG 2.84Å; S412-K514 CarbonylContact O-C 3.49Å; S412-K514 WeakPolarHBondContact O-CA 3.43Å; S412-V515 PolarHBondContact N-O 3.23Å; S412-V515 PolarHBondContact O-N 2.93Å
413	H	96.9	Very high	92.3	Very high	5 Å²	5	18.4 Å²	18.4	2%	0.023	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.5	177.8	-64.9	-102.5	0	0	0	108.7	R384 A404 V405 F415 A511	R384-H413 HydrophobicContact CG-CB 4.01Å; R384-H413 WeakPolarHBondContact CG-CD2 3.42Å; R384-H413 VanDerWaalsContact CG-CG 3.41Å; R384-H413 PolarHBondContact NH1-NE2 2.75Å; A404-H413 CarbonylContact C-O 3.49Å; A404-H413 VanDerWaalsContact CA-O 3.28Å; A404-H413 WeakPolarHBondContact CA-O 3.38Å; V405-H413 PolarHBondContact N-O 2.82Å; V405-H413 PolarHBondContact O-N 3.14Å; H413-F415 HydrophobicContact CB-CE2 3.86Å; H413-F415 HydrophobicContact CB-CZ 4.14Å; H413-F415 WeakPolarHBondContact O-CD2 3.39Å; H413-F415 WeakPolarHBondContact O-CE2 3.4Å; H413-A511 HydrophobicContact CB-CB 3.92Å
414	V	97.9	Very high	91.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.5	-177.6	178.1	0	0	0	0	109.5	W402 V403 A404 A511 V512 V513 F553 F575 L612	W402-V414 HydrophobicContact CE3-CG1 3.86Å; W402-V414 HydrophobicContact CZ3-CG1 4.35Å; V403-V414 CarbonylContact O-C 3.57Å; V403-V414 WeakPolarHBondContact O-CA 3.3Å; A404-V414 HydrophobicContact CB-CG2 4.1Å; V414-A511 CarbonylContact O-C 3.53Å; V414-A511 VanDerWaalsContact O-CA 3.26Å; V414-A511 WeakPolarHBondContact O-CA 3.26Å; V414-V512 HydrophobicContact CG1-CG2 4.3Å; V414-V512 VanDerWaalsContact O-CG2 3.3Å; V414-V512 WeakPolarHBondContact O-CG2 2.94Å; V414-V512 PolarHBondContact O-N 2.82Å; V414-V513 HydrophobicContact CB-CB 4.48Å; V414-V513 PolarHBondContact N-O 2.88Å; V414-V513 PolarHBondContact O-N 2.8Å; V414-F553 HydrophobicContact CG1-CE1 4.37Å; V414-F553 HydrophobicContact CG1-CZ 4.04Å; V414-F553 HydrophobicContact CG2-CZ 4.47Å; V414-F575 HydrophobicContact CG2-CD2 4.45Å; V414-F575 HydrophobicContact CG2-CE1 4.42Å; V414-F575 HydrophobicContact CG2-CE2 4.24Å; V414-F575 HydrophobicContact CG2-CZ 4.22Å; V414-L612 HydrophobicContact CG2-CD1 4Å
415	F	98	Very high	91.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.8	179.5	-56.9	-94.5	0	0	0	109.3	L382 F383 R384 W402 V403 V405 H413 A511	L382-F415 HydrophobicContact CB-CD1 3.8Å; L382-F415 HydrophobicContact CB-CE1 3.75Å; L382-F415 HydrophobicContact CB-CG 4.27Å; L382-F415 HydrophobicContact CB-CZ 4.18Å; L382-F415 HydrophobicContact CD1-CB 4.22Å; L382-F415 HydrophobicContact CD1-CD1 4.39Å; L382-F415 HydrophobicContact CD1-CD2 4.24Å; L382-F415 HydrophobicContact CD1-CG 4.04Å; L382-F415 HydrophobicContact CD2-CB 4.32Å; L382-F415 HydrophobicContact CD2-CD1 4.19Å; L382-F415 HydrophobicContact CD2-CG 4.4Å; L382-F415 HydrophobicContact CG-CD1 4.35Å; L382-F415 HydrophobicContact CG-CG 4.48Å; F383-F415 WeakPolarHBondContact O-CE1 3.29Å; R384-F415 HydrophobicContact CB-CZ 4.29Å; W402-F415 WeakPolarHBondContact CA-O 3.43Å; V403-F415 HydrophobicContact CB-CB 4.38Å; V403-F415 HydrophobicContact CG1-CD2 4.4Å; V403-F415 PolarHBondContact N-O 3.41Å; V403-F415 PolarHBondContact O-N 3.43Å; V405-F415 HydrophobicContact CB-CE2 4.3Å; V405-F415 HydrophobicContact CG2-CE2 3.98Å; H413-F415 HydrophobicContact CB-CE2 3.86Å; H413-F415 HydrophobicContact CB-CZ 4.14Å; H413-F415 WeakPolarHBondContact O-CD2 3.39Å; H413-F415 WeakPolarHBondContact O-CE2 3.4Å; F415-A511 HydrophobicContact CD1-CB 4.16Å; F415-A511 HydrophobicContact CE1-CB 3.73Å; F415-A511 HydrophobicContact CE2-CB 4.43Å; F415-A511 HydrophobicContact CZ-CB 3.89Å
416	A	96.4	Very high	90.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	131.9	166.8	0	0	0	0	0	108.5	W402 V424 H429 Q509 V512 L608	W402-A416 HydrophobicContact CE3-CB 4.33Å; W402-A416 HydrophobicContact CZ3-CB 4.04Å; A416-V424 HydrophobicContact CB-CB 4.22Å; A416-V424 HydrophobicContact CB-CG1 4.11Å; A416-V424 HydrophobicContact CB-CG2 4.21Å; A416-V424 WeakPolarHBondContact O-CG1 3.4Å; A416-H429 WeakPolarHBondContact CB-NE2 3.32Å; A416-Q509 WeakPolarHBondContact O-CG 3.35Å; A416-V512 HydrophobicContact CB-CG1 4.14Å; A416-L608 HydrophobicContact CB-CD2 3.73Å
417	I	96.2	Very high	90.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.			trans	-141	179	176	61.5	158.7	0	0	0	109.4	M348 Y380 L382 F396 S400 R401 V403 H429	M348-I417 HydrophobicContact CE-CD1 4.17Å; Y380-I417 HydrophobicContact CD1-CG2 4.37Å; Y380-I417 HydrophobicContact CD2-CB 4.2Å; Y380-I417 HydrophobicContact CD2-CG2 4.07Å; Y380-I417 HydrophobicContact CE2-CB 3.84Å; Y380-I417 HydrophobicContact CE2-CG2 4.18Å; Y380-I417 HydrophobicContact CG-CG2 4.18Å; L382-I417 HydrophobicContact CD2-CG2 3.83Å; F396-I417 HydrophobicContact CD1-CD1 4.16Å; F396-I417 HydrophobicContact CE1-CD1 3.82Å; S400-I417 WeakPolarHBondContact O-CD1 3.46Å; S400-I417 WeakPolarHBondContact O-CG1 3.42Å; R401-I417 CarbonylContact C-O 3.57Å; R401-I417 VanDerWaalsContact CA-O 3.31Å; R401-I417 WeakPolarHBondContact CA-O 3.18Å; R401-I417 PolarHBondContact O-N 3.29Å; V403-I417 HydrophobicContact CG2-CD1 3.51Å; V403-I417 HydrophobicContact CG2-CG1 4.05Å; I417-H429 PolarHBondContact O-CE1 3.41Å; I417-H429 PolarHBondContact O-NE2 2.99Å; I417-H429 VanDerWaalsContact O-NE2 3.09Å
418	T	93.4	Very high	90	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.154	C	C	.	.			trans	-132.8	149.4	167.4	60.2	0	0	0	0	109.7	Y380 Y420 G421 T428	Y380-T418 PolarHBondContact OH-N 2.83Å; Y380-T418 PolarHBondContact OH-OG1 2.97Å; T418-Y420 HydrophobicContact CG2-CE2 4.26Å; T418-Y420 PolarHBondContact O-N 2.88Å; T418-G421 PolarHBondContact O-N 3.2Å; T418-G421 VanDerWaalsContact O-N 3.11Å; T418-G421 VanDerWaalsContact OG1-C 3.29Å; T418-G421 PolarHBondContact OG1-N 2.83Å; T418-G421 PolarHBondContact OG1-O 2.89Å; T418-T428 HydrophobicContact CG2-CG2 3.99Å
419	P	91.6	Very high	90.4	Very high	36 Å²	36	26.4 Å²	26.4	23%	0.234	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.3	-177.3	20.4	-31.6	0	0	0	113.7	M348 V434	M348-P419 HydrophobicContact SD-CB 4.26Å; M348-P419 VanDerWaalsContact SD-O 3.33Å; P419-V434 HydrophobicContact CG-CG1 4.06Å
420	Y	88	Confident	90.5	Very high	65 Å²	65	23.9 Å²	23.9	26%	0.255	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	3.1	179.6	48.6	-104.1	0	0	0	113.9	T418 V434 V435 N436 R437	T418-Y420 HydrophobicContact CG2-CE2 4.26Å; T418-Y420 PolarHBondContact O-N 2.88Å; Y420-V434 HydrophobicContact CE1-CG1 4.35Å; Y420-V435 WeakPolarHBondContact CE1-O 3.11Å; Y420-V435 PolarHBondContact OH-O 3.26Å; Y420-N436 PolarHBondContact OH-O 3.1Å; Y420-R437 HydrophobicContact CD2-CB 3.66Å; Y420-R437 HydrophobicContact CD2-CG 3.71Å; Y420-R437 HydrophobicContact CE2-CB 3.75Å; Y420-R437 HydrophobicContact CE2-CG 3.88Å; Y420-R437 HydrophobicContact CG-CB 4.1Å
421	G	89.4	Confident	90.5	Very high	3 Å²	3	26 Å²	26	3%	0.031	15%	0.153	C	C	.	.			trans	77.4	178.2	-176.9	0	0	0	0	0	115.1	Y380 T418	Y380-G421 VanDerWaalsContact OH-C 3.26Å; Y380-G421 WeakPolarHBondContact OH-CA 3.39Å; T418-G421 PolarHBondContact O-N 3.2Å; T418-G421 VanDerWaalsContact O-N 3.11Å; T418-G421 VanDerWaalsContact OG1-C 3.29Å; T418-G421 PolarHBondContact OG1-N 2.83Å; T418-G421 PolarHBondContact OG1-O 2.89Å
422	G	85.5	Confident	90.1	Very high	17 Å²	17	28.9 Å²	28.9	18%	0.175	17%	0.174	C	C	.	.	S	Bend	trans	94.5	-176	-179.3	0	0	0	0	0	114.2	Y380	Y380-G422 VanDerWaalsContact CE1-O 3.23Å; Y380-G422 WeakPolarHBondContact CE1-O 3.42Å; Y380-G422 VanDerWaalsContact CZ-O 3.29Å; Y380-G422 PolarHBondContact OH-N 3.08Å; Y380-G422 PolarHBondContact OH-O 2.96Å
423	P	85.4	Confident	89.5	Confident	91 Å²	91	34 Å²	34	59%	0.591	20%	0.196	S	C	*	.			trans	-70.5	139.4	-170.3	28.3	-34.3	0	0	0	112.3
424	V	89.5	Confident	89	Confident	18 Å²	18	37 Å²	37	11%	0.109	22%	0.215	C	C	.	.			trans	-84.4	140.7	171.5	-59.1	0	0	0	0	110.9	A416 L608	A416-V424 HydrophobicContact CB-CB 4.22Å; A416-V424 HydrophobicContact CB-CG1 4.11Å; A416-V424 HydrophobicContact CB-CG2 4.21Å; A416-V424 WeakPolarHBondContact O-CG1 3.4Å; V424-L608 HydrophobicContact CG2-CD2 4.48Å
425	S	86.6	Confident	88.3	Confident	22 Å²	22	38.9 Å²	38.9	15%	0.154	23%	0.226	C	C	.	.			trans	-155.1	172.8	-179.5	63.7	0	0	0	0	110.3	R427 T428 H429	S425-R427 PolarHBondContact O-N 3.11Å; S425-R427 PolarHBondContact OG-N 3.18Å; S425-T428 PolarHBondContact N-OG1 2.65Å; S425-T428 PolarHBondContact O-N 3.07Å; S425-T428 PolarHBondContact O-OG1 3.32Å; S425-H429 PolarHBondContact O-N 2.95Å
426	K	84.5	Confident	87.1	Confident	72 Å²	72	43.9 Å²	43.9	31%	0.313	25%	0.253	S	S	.	.	H	α-helix	trans	-58.9	-29.4	171.4	-178.4	178	174.4	-165.4	0	112.6	T428 H429 G430 D593	K426-T428 VanDerWaalsContact C-N 3.27Å; K426-T428 PolarHBondContact O-N 3.31Å; K426-H429 PolarHBondContact O-N 2.83Å; K426-G430 WeakPolarHBondContact O-CA 3.44Å; K426-G430 PolarHBondContact O-N 2.81Å; K426-D593 VanDerWaalsContact CB-OD1 3.31Å; K426-D593 WeakPolarHBondContact CB-OD1 3.28Å; K426-D593 HydrophobicContact CD-CB 4.48Å; K426-D593 WeakPolarHBondContact CD-OD1 3.27Å; K426-D593 WeakPolarHBondContact CD-OD2 3.19Å; K426-D593 WeakPolarHBondContact CE-OD2 3.01Å; K426-D593 IonicContact NZ-OD2 2.7Å; K426-D593 PolarHBondContact NZ-OD2 2.9Å
427	R	83.3	Confident	85.9	Confident	94 Å²	94	49.4 Å²	49.4	36%	0.355	27%	0.274	S	S	.	.	H	α-helix	trans	-59.3	-42.3	173.6	-170	-172.1	68.5	80.1	-1.7	111.3	S425 V435 N436 R437	S425-R427 PolarHBondContact O-N 3.11Å; S425-R427 PolarHBondContact OG-N 3.18Å; R427-V435 HydrophobicContact CG-CG2 4.44Å; R427-V435 WeakPolarHBondContact O-CG2 3.36Å; R427-N436 PolarHBondContact NH1-O 3.47Å; R427-N436 PolarHBondContact NH2-O 2.8Å; R427-N436 VanDerWaalsContact NH2-O 3.14Å; R427-R437 PolarHBondContact NH2-O 3.32Å
428	T	88.6	Confident	84.5	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-83.2	-22.8	-175.9	58	0	0	0	0	113.6	R401 T418 S425 K426 V435	R401-T428 VanDerWaalsContact CD-O 3.3Å; R401-T428 WeakPolarHBondContact CD-O 3.36Å; R401-T428 PolarHBondContact NH1-O 2.8Å; T418-T428 HydrophobicContact CG2-CG2 3.99Å; S425-T428 PolarHBondContact N-OG1 2.65Å; S425-T428 PolarHBondContact O-N 3.07Å; S425-T428 PolarHBondContact O-OG1 3.32Å; K426-T428 VanDerWaalsContact C-N 3.27Å; K426-T428 PolarHBondContact O-N 3.31Å; T428-V435 HydrophobicContact CG2-CG2 4.1Å
429	H	91.7	Very high	83.2	Confident	7 Å²	7	52.3 Å²	52.3	3%	0.032	29%	0.291	C	S	.	.	H	α-helix	trans	-123.9	-12.1	-173.4	-68.1	74.7	0	0	0	115.4	R401 W402 A416 I417 S425 K426 V591 L608	R401-H429 PolarHBondContact O-NE2 2.87Å; R401-H429 VanDerWaalsContact O-NE2 3.15Å; W402-H429 AromaticContact CE2-CD2 3.69Å; W402-H429 AromaticContact CH2-CD2 3.9Å; W402-H429 HydrophobicContact CZ2-CB 4.3Å; W402-H429 AromaticContact CZ2-CD2 3.52Å; A416-H429 WeakPolarHBondContact CB-NE2 3.32Å; I417-H429 PolarHBondContact O-CE1 3.41Å; I417-H429 PolarHBondContact O-NE2 2.99Å; I417-H429 VanDerWaalsContact O-NE2 3.09Å; S425-H429 PolarHBondContact O-N 2.95Å; K426-H429 PolarHBondContact O-N 2.83Å; H429-V591 HydrophobicContact CB-CG1 4.49Å; H429-V591 HydrophobicContact CB-CG2 4.41Å; H429-L608 HydrophobicContact CB-CD1 3.9Å; H429-L608 HydrophobicContact CB-CD2 4.01Å
430	G	86	Confident	81.9	Confident	45 Å²	45	56.1 Å²	56.1	46%	0.464	30%	0.301	S	S	.	.	S	Bend	trans	-80.8	-14.4	-174.7	0	0	0	0	0	114.3	K426	K426-G430 WeakPolarHBondContact O-CA 3.44Å; K426-G430 PolarHBondContact O-N 2.81Å
431	S	84.2	Confident	80.6	Confident	50 Å²	50	58.1 Å²	58.1	35%	0.35	31%	0.311	S	S	.	.	S	Bend	trans	-109.1	160.2	168.7	86.4	0	0	0	0	110.7	R401 K433	R401-S431 PolarHBondContact NH1-O 2.75Å; R401-S431 PolarHBondContact NH2-O 2.73Å; S431-K433 PolarHBondContact O-N 2.9Å; S431-K433 PolarHBondContact OG-N 2.84Å; S431-K433 PolarHBondContact OG-O 3.26Å; S431-K433 VanDerWaalsContact OG-O 3.06Å
432	S	83.3	Confident	79.1	Confident	77 Å²	77	61.8 Å²	61.8	54%	0.538	33%	0.328	S	S	.	.	S	Bend	trans	-69.4	-17.2	172	55.8	0	0	0	0	112.8	R401	R401-S432 PolarHBondContact NH2-O 2.87Å
433	K	83.7	Confident	77.5	Confident	107 Å²	107	64.4 Å²	64.4	47%	0.465	33%	0.332	S	S	.	.	S	Bend	trans	-92.9	148.3	-176.9	-67	-176.7	171.8	-174	0	112.1	R401 S431 E676	R401-K433 PolarHBondContact NH1-O 3.23Å; S431-K433 PolarHBondContact O-N 2.9Å; S431-K433 PolarHBondContact OG-N 2.84Å; S431-K433 PolarHBondContact OG-O 3.26Å; S431-K433 VanDerWaalsContact OG-O 3.06Å; K433-E676 IonicContact NZ-OE1 3.91Å; K433-E676 PolarHBondContact NZ-OE1 3.42Å; K433-E676 IonicContact NZ-OE2 3.89Å; K433-E676 PolarHBondContact NZ-OE2 3.47Å
434	V	85.7	Confident	75.9	Confident	70 Å²	70	63.9 Å²	63.9	42%	0.424	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-74.6	129	167.3	-177.4	0	0	0	0	108.3	D399 R401 P419 Y420	D399-V434 HydrophobicContact CB-CG2 3.81Å; R401-V434 HydrophobicContact CG-CG2 4.31Å; P419-V434 HydrophobicContact CG-CG1 4.06Å; Y420-V434 HydrophobicContact CE1-CG1 4.35Å
435	V	82.5	Confident	74.3	Confident	39 Å²	39	65.2 Å²	65.2	24%	0.236	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-103.3	152.5	177.3	-65.8	0	0	0	0	110.2	Y420 R427 T428	Y420-V435 WeakPolarHBondContact CE1-O 3.11Å; Y420-V435 PolarHBondContact OH-O 3.26Å; R427-V435 HydrophobicContact CG-CG2 4.44Å; R427-V435 WeakPolarHBondContact O-CG2 3.36Å; T428-V435 HydrophobicContact CG2-CG2 4.1Å
436	N	74.5	Confident	72.7	Confident	105 Å²	105	65.1 Å²	65.1	56%	0.561	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-57.2	154.4	175.1	-71.7	-24.8	0	0	0	112.2	Y420 R427 E438	Y420-N436 PolarHBondContact OH-O 3.1Å; R427-N436 PolarHBondContact NH1-O 3.47Å; R427-N436 PolarHBondContact NH2-O 2.8Å; R427-N436 VanDerWaalsContact NH2-O 3.14Å; N436-E438 VanDerWaalsContact C-N 3.32Å; N436-E438 PolarHBondContact O-N 2.88Å
437	R	71	Confident	71.3	Confident	115 Å²	115	64.2 Å²	64.2	43%	0.434	34%	0.344	S	S	.	.	S	Bend	trans	-55.8	-48	179.3	-176.2	-179.5	-176.8	-163.9	7	111.7	Y420 R427 D745	Y420-R437 HydrophobicContact CD2-CB 3.66Å; Y420-R437 HydrophobicContact CD2-CG 3.71Å; Y420-R437 HydrophobicContact CE2-CB 3.75Å; Y420-R437 HydrophobicContact CE2-CG 3.88Å; Y420-R437 HydrophobicContact CG-CB 4.1Å; R427-R437 PolarHBondContact NH2-O 3.32Å; R437-D745 IonicContact NH1-OD1 3.75Å; R437-D745 PolarHBondContact NH1-OD1 3.36Å
438	E	66.4	Low	69.8	Low	24 Å²	24	61 Å²	61	11%	0.112	34%	0.338	C	S	.	.	S	Bend	trans	-90.8	146.2	175.4	-57.6	176.3	122.7	0	0	110.5	N436 R443	N436-E438 VanDerWaalsContact C-N 3.32Å; N436-E438 PolarHBondContact O-N 2.88Å; E438-R443 HydrophobicContact CB-CG 3.68Å; E438-R443 VanDerWaalsContact OE2-CG 3.29Å; E438-R443 WeakPolarHBondContact OE2-CG 3.35Å; E438-R443 IonicContact OE2-CZ 3.25Å; E438-R443 IonicContact OE2-NE 2.87Å; E438-R443 IonicContact OE2-NH1 2.92Å; E438-R443 PolarHBondContact OE2-NH1 2.62Å
439	S	66.4	Low	68	Low	38 Å²	38	64.3 Å²	64.3	27%	0.266	36%	0.358	S	S	.	.			trans	-66.5	144.2	168.4	177.9	0	0	0	0	110.3	F441 E442 R443	S439-F441 PolarHBondContact O-N 2.66Å; S439-F441 VanDerWaalsContact O-N 3.17Å; S439-F441 PolarHBondContact OG-N 2.73Å; S439-E442 PolarHBondContact N-OE2 3.03Å; S439-E442 PolarHBondContact O-N 2.74Å; S439-R443 WeakPolarHBondContact O-CG 3.45Å; S439-R443 PolarHBondContact O-N 3.4Å
440	R	63.1	Low	65.9	Low	117 Å²	117	69 Å²	69	44%	0.442	38%	0.383	S	S	.	.	H	α-helix	trans	-54.9	-33.2	171.2	-175.1	174.7	173.8	132.7	-19.4	112.2	S444 E678 Y682	R440-S444 WeakPolarHBondContact O-CB 3.24Å; R440-S444 PolarHBondContact O-N 2.94Å; R440-S444 PolarHBondContact O-OG 2.93Å; R440-E678 IonicContact CZ-OE1 2.69Å; R440-E678 IonicContact NH1-OE1 3.6Å; R440-E678 PolarHBondContact NH1-OE1 2.7Å; R440-Y682 PolarHBondContact NH2-OH 3.03Å
441	F	60.4	Low	64.2	Low	107 Å²	107	73.3 Å²	73.3	47%	0.469	39%	0.391	S	S	.	.	H	α-helix	trans	-66.7	-46	172.9	176.5	-95.7	0	0	0	112.2	S439 R443 S444 S445	S439-F441 PolarHBondContact O-N 2.66Å; S439-F441 VanDerWaalsContact O-N 3.17Å; S439-F441 PolarHBondContact OG-N 2.73Å; F441-R443 VanDerWaalsContact C-N 3.29Å; F441-R443 PolarHBondContact O-N 3.03Å; F441-S444 WeakPolarHBondContact CA-OG 3.24Å; F441-S444 PolarHBondContact O-N 2.95Å; F441-S444 PolarHBondContact O-OG 2.93Å; F441-S445 WeakPolarHBondContact O-CB 3.07Å; F441-S445 PolarHBondContact O-N 2.97Å; F441-S445 PolarHBondContact O-OG 2.72Å
442	E	58.2	Low	62.4	Low	80 Å²	80	75.5 Å²	75.5	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-61.9	-40.2	178.2	-71.6	171.2	155.8	0	0	111.3	S439 S445 G446	S439-E442 PolarHBondContact N-OE2 3.03Å; S439-E442 PolarHBondContact O-N 2.74Å; E442-S445 PolarHBondContact O-OG 2.89Å; E442-G446 PolarHBondContact O-N 3.16Å
443	R	53.7	Low	60.4	Low	72 Å²	72	81.9 Å²	81.9	27%	0.272	41%	0.408	S	S	.	.	H	α-helix	trans	-62.6	-51.6	174.3	-66.7	-179	72.5	94	4.8	112.1	E438 S439 F441 E749	E438-R443 HydrophobicContact CB-CG 3.68Å; E438-R443 VanDerWaalsContact OE2-CG 3.29Å; E438-R443 WeakPolarHBondContact OE2-CG 3.35Å; E438-R443 IonicContact OE2-CZ 3.25Å; E438-R443 IonicContact OE2-NE 2.87Å; E438-R443 IonicContact OE2-NH1 2.92Å; E438-R443 PolarHBondContact OE2-NH1 2.62Å; S439-R443 WeakPolarHBondContact O-CG 3.45Å; S439-R443 PolarHBondContact O-N 3.4Å; F441-R443 VanDerWaalsContact C-N 3.29Å; F441-R443 PolarHBondContact O-N 3.03Å; R443-E749 IonicContact CZ-OE2 2.72Å; R443-E749 IonicContact NE-OE2 3.99Å; R443-E749 IonicContact NH2-OE2 3.97Å; R443-E749 PolarHBondContact NH2-OE2 2.82Å
444	S	51	Low	58.3	Low	79 Å²	79	83.7 Å²	83.7	55%	0.552	42%	0.419	S	S	*	.	H	α-helix	trans	-74.7	-31.8	-175.9	52.5	0	0	0	0	114.2	R440 F441 G446	R440-S444 WeakPolarHBondContact O-CB 3.24Å; R440-S444 PolarHBondContact O-N 2.94Å; R440-S444 PolarHBondContact O-OG 2.93Å; F441-S444 WeakPolarHBondContact CA-OG 3.24Å; F441-S444 PolarHBondContact O-N 2.95Å; F441-S444 PolarHBondContact O-OG 2.93Å; S444-G446 VanDerWaalsContact C-N 3.33Å
445	S	55.9	Low	55.9	Low	47 Å²	47	83.4 Å²	83.4	33%	0.329	43%	0.431	S	S	.	.	H	α-helix	trans	-78.7	-15.9	178.9	62.2	0	0	0	0	113.6	F441 E442 V447	F441-S445 WeakPolarHBondContact O-CB 3.07Å; F441-S445 PolarHBondContact O-N 2.97Å; F441-S445 PolarHBondContact O-OG 2.72Å; E442-S445 PolarHBondContact O-OG 2.89Å; S445-V447 PolarHBondContact O-N 3.47Å; S445-V447 WeakPolarHBondContact OG-CB 3.14Å; S445-V447 WeakPolarHBondContact OG-CG2 3.3Å; S445-V447 PolarHBondContact OG-N 2.69Å
446	G	52.9	Low	53.5	Low	20 Å²	20	85.4 Å²	85.4	21%	0.206	45%	0.451	C	S	.	.			trans	66.2	9.5	-170	0	0	0	0	0	113.6	E442 S444 A448 T449 L450	E442-G446 PolarHBondContact O-N 3.16Å; S444-G446 VanDerWaalsContact C-N 3.33Å; G446-A448 VanDerWaalsContact C-N 3.27Å; G446-A448 PolarHBondContact O-N 3.11Å; G446-T449 WeakPolarHBondContact O-CB 3.2Å; G446-T449 PolarHBondContact O-N 3.37Å; G446-T449 PolarHBondContact O-OG1 3.35Å; G446-L450 PolarHBondContact O-N 3.46Å; G446-L450 VanDerWaalsContact O-N 3.14Å
447	V	54.6	Low	51.3	Low	52 Å²	52	83.2 Å²	83.2	32%	0.315	45%	0.453	S	S	.	.	H	α-helix	trans	-59.7	-37.4	-178.6	166.9	0	0	0	0	111.6	S445 T449 L450 Q451	S445-V447 PolarHBondContact O-N 3.47Å; S445-V447 WeakPolarHBondContact OG-CB 3.14Å; S445-V447 WeakPolarHBondContact OG-CG2 3.3Å; S445-V447 PolarHBondContact OG-N 2.69Å; V447-T449 VanDerWaalsContact C-N 3.28Å; V447-T449 PolarHBondContact O-N 3.26Å; V447-L450 PolarHBondContact O-N 3.31Å; V447-L450 VanDerWaalsContact O-N 3.14Å; V447-Q451 PolarHBondContact O-N 2.95Å
448	A	52.4	Low	49.3	Very low	28 Å²	28	84 Å²	84	23%	0.231	47%	0.471	C	S	.	.	H	α-helix	trans	-55.7	-44.4	174.1	0	0	0	0	0	111.5	G446 L450 Q451 Q452	G446-A448 VanDerWaalsContact C-N 3.27Å; G446-A448 PolarHBondContact O-N 3.11Å; A448-L450 PolarHBondContact O-N 3.02Å; A448-Q451 PolarHBondContact O-N 2.72Å; A448-Q452 PolarHBondContact O-N 3.36Å
449	T	51.2	Low	47.4	Very low	72 Å²	72	91.1 Å²	91.1	44%	0.442	50%	0.504	S	S	.	.	H	α-helix	trans	-67	-35.2	178.2	75	0	0	0	0	112.8	G446 V447 R453	G446-T449 WeakPolarHBondContact O-CB 3.2Å; G446-T449 PolarHBondContact O-N 3.37Å; G446-T449 PolarHBondContact O-OG1 3.35Å; V447-T449 VanDerWaalsContact C-N 3.28Å; V447-T449 PolarHBondContact O-N 3.26Å; T449-R453 PolarHBondContact O-N 3.39Å
450	L	47.6	Very low	45.4	Very low	106 Å²	106	98.6 Å²	98.6	56%	0.555	53%	0.532	S	S	*	.	H	α-helix	trans	-69.2	-43.3	176.6	-85.1	162.1	0	0	0	112	G446 V447 A448 Q452 R453 M454	G446-L450 PolarHBondContact O-N 3.46Å; G446-L450 VanDerWaalsContact O-N 3.14Å; V447-L450 PolarHBondContact O-N 3.31Å; V447-L450 VanDerWaalsContact O-N 3.14Å; A448-L450 PolarHBondContact O-N 3.02Å; L450-Q452 VanDerWaalsContact C-N 3.29Å; L450-Q452 PolarHBondContact O-N 3.48Å; L450-R453 PolarHBondContact O-N 2.97Å; L450-M454 WeakPolarHBondContact O-CG 3.46Å; L450-M454 PolarHBondContact O-N 3.21Å; L450-M454 VanDerWaalsContact O-N 3.16Å
451	Q	49.6	Very low	43.6	Very low	135 Å²	135	99.9 Å²	99.9	63%	0.631	55%	0.547	S	S	*	.	H	α-helix	trans	-68.2	-33.1	-177.3	-150.4	152.4	15.5	0	0	111.5	V447 A448 M454 G455	V447-Q451 PolarHBondContact O-N 2.95Å; A448-Q451 PolarHBondContact O-N 2.72Å; Q451-M454 PolarHBondContact O-N 3.45Å; Q451-G455 PolarHBondContact O-N 2.7Å
452	Q	46.7	Very low	42.1	Very low	96 Å²	96	99.2 Å²	99.2	45%	0.449	56%	0.562	S	S	.	*	H	α-helix	trans	-72.7	-35.5	175.3	-151.2	170.1	9.9	0	0	112.8	A448 L450 M454 G455 A456 I744	A448-Q452 PolarHBondContact O-N 3.36Å; L450-Q452 VanDerWaalsContact C-N 3.29Å; L450-Q452 PolarHBondContact O-N 3.48Å; Q452-M454 PolarHBondContact O-N 3.07Å; Q452-G455 PolarHBondContact O-N 3.41Å; Q452-A456 PolarHBondContact O-N 2.92Å; Q452-I744 VanDerWaalsContact NE2-CD1 3.34Å
453	R	40.7	Very low	40.5	Very low	210 Å²	210	102.7 Å²	102.7	79%	0.792	58%	0.583	S	S	*	*	H	α-helix	trans	-62.7	-30.4	169.8	-81.5	-175.7	176.6	-178.2	1.6	113	T449 L450	T449-R453 PolarHBondContact O-N 3.39Å; L450-R453 PolarHBondContact O-N 2.97Å
454	M	39.7	Very low	39.2	Very low	145 Å²	145	107 Å²	107	71%	0.714	61%	0.61	S	S	*	*	H	α-helix	trans	-81.9	-27.3	176.9	-65.1	-80.5	-80.9	0	0	112.6	L450 Q451 Q452	L450-M454 WeakPolarHBondContact O-CG 3.46Å; L450-M454 PolarHBondContact O-N 3.21Å; L450-M454 VanDerWaalsContact O-N 3.16Å; Q451-M454 PolarHBondContact O-N 3.45Å; Q452-M454 PolarHBondContact O-N 3.07Å
455	G	34.6	Very low	38	Very low	64 Å²	64	110.5 Å²	110.5	66%	0.66	62%	0.622	S	S	*	*	H	α-helix	trans	-82.2	-24.1	-178.6	0	0	0	0	0	115	Q451 Q452 G457	Q451-G455 PolarHBondContact O-N 2.7Å; Q452-G455 PolarHBondContact O-N 3.41Å; G455-G457 VanDerWaalsContact C-N 3.33Å; G455-G457 PolarHBondContact O-N 3.21Å
456	A	32.6	Very low	36.6	Very low	81 Å²	81	113.6 Å²	113.6	67%	0.669	64%	0.642	S	S	*	*	S	Bend	trans	-80.9	79.5	173	0	0	0	0	0	110.4	Q452	Q452-A456 PolarHBondContact O-N 2.92Å
457	G	29.2	Very low	35.2	Very low	59 Å²	59	119.5 Å²	119.5	61%	0.608	67%	0.674	S	S	*	*			trans	63.1	85.9	162.5	0	0	0	0	0	115.1	G455 Q459	G455-G457 VanDerWaalsContact C-N 3.33Å; G455-G457 PolarHBondContact O-N 3.21Å; G457-Q459 PolarHBondContact O-N 3.17Å
458	V	27.9	Very low	33.8	Very low	132 Å²	132	127 Å²	127	80%	0.8	70%	0.702	S	S	*	*			trans	-61.9	74	146.7	-178.8	0	0	0	0	107.9
459	Q	26.6	Very low	32.4	Very low	174 Å²	174	128.9 Å²	128.9	81%	0.813	72%	0.724	S	S	*	*			trans	-81	120.1	151.2	-75.7	-148	-2.8	0	0	106.4	G457 N461	G457-Q459 PolarHBondContact O-N 3.17Å; Q459-N461 PolarHBondContact O-N 2.97Å
460	K	25.9	Very low	31.2	Very low	195 Å²	195	131.5 Å²	131.5	85%	0.848	74%	0.74	S	S	*	*	S	Bend	trans	-26	97.6	172.5	-64.9	172.6	177.3	177.7	0	112.7
461	N	24.7	Very low	30.2	Very low	143 Å²	143	135.9 Å²	135.9	77%	0.765	76%	0.755	S	S	*	*			trans	-149.6	70.5	153.9	-85.4	-33.3	0	0	0	106.3	Q459 D463	Q459-N461 PolarHBondContact O-N 2.97Å; N461-D463 PolarHBondContact O-N 2.8Å
462	A	28	Very low	29.1	Very low	94 Å²	94	134.8 Å²	134.8	78%	0.777	76%	0.762	S	S	*	*			trans	-72.6	25.9	173.2	0	0	0	0	0	112.7
463	D	24.5	Very low	28.1	Very low	152 Å²	152	134.5 Å²	134.5	81%	0.813	79%	0.785	S	S	*	*			trans	-120.7	36	-178.6	-72.3	-21.9	0	0	0	112	N461	N461-D463 PolarHBondContact O-N 2.8Å
464	I	27.6	Very low	27.3	Very low	163 Å²	163	129 Å²	129	84%	0.836	78%	0.779	S	S	*	*			trans	-139.3	52.8	158.7	-44.1	176.3	0	0	0	109.4
465	L	25.9	Very low	26.6	Very low	153 Å²	153	127.4 Å²	127.4	80%	0.801	78%	0.779	S	S	*	*	S	Bend	trans	-122.5	120.1	158	-101.4	140.1	0	0	0	106.4
466	C	24.9	Very low	26.1	Very low	111 Å²	111	130.6 Å²	130.6	75%	0.75	79%	0.786	S	S	*	*			trans	73.7	68.7	166.6	-53.1	0	0	0	0	117.1	K468	C466-K468 VanDerWaalsContact C-N 3.33Å; C466-K468 PolarHBondContact O-N 2.9Å
467	T	24.7	Very low	25.7	Very low	144 Å²	144	132.6 Å²	132.6	88%	0.883	79%	0.789	S	S	*	*			trans	-67.3	102.2	142	27.6	0	0	0	0	108.3	G469	T467-G469 PolarHBondContact O-N 3.3Å; T467-G469 VanDerWaalsContact O-N 3.07Å
468	K	24.1	Very low	25.4	Very low	210 Å²	210	137.8 Å²	137.8	91%	0.913	80%	0.795	S	S	*	*			trans	-45.7	109.8	160.3	-74	174.3	173.7	176.1	0	108.8	C466	C466-K468 VanDerWaalsContact C-N 3.33Å; C466-K468 PolarHBondContact O-N 2.9Å
469	G	24.8	Very low	25.2	Very low	67 Å²	67	141 Å²	141	69%	0.691	79%	0.793	S	S	*	*			trans	-172.5	80.5	-178.7	0	0	0	0	0	110	T467 F471	T467-G469 PolarHBondContact O-N 3.3Å; T467-G469 VanDerWaalsContact O-N 3.07Å; G469-F471 PolarHBondContact O-N 2.83Å
470	V	24.6	Very low	25	Very low	127 Å²	127	142.3 Å²	142.3	77%	0.77	79%	0.792	S	S	*	*			trans	-41.9	116.2	163.4	173.9	0	0	0	0	109.5
471	F	26.3	Very low	24.9	Very low	198 Å²	198	141.4 Å²	141.4	87%	0.868	78%	0.784	S	S	*	*			trans	-172.4	113	136.7	-82.5	-60.8	0	0	0	110.1	G469	G469-F471 PolarHBondContact O-N 2.83Å
472	S	27.2	Very low	25	Very low	112 Å²	112	140.6 Å²	140.6	78%	0.783	79%	0.787	S	S	*	*			trans	43.6	96.2	146	-167.9	0	0	0	0	119.6	S474	S472-S474 VanDerWaalsContact C-N 3.31Å; S472-S474 PolarHBondContact O-N 3.35Å
473	G	26.4	Very low	24.9	Very low	90 Å²	90	144.1 Å²	144.1	93%	0.928	79%	0.789	S	S	*	*	S	Bend		59	8.9	120.1	0	0	0	0	0	122
474	S	23.2	Very low	25.1	Very low	96 Å²	96	140.6 Å²	140.6	67%	0.671	78%	0.781	S	S	*	*			trans	-122.1	125.7	179.6	-150.7	0	0	0	0	111.4	S472 V476	S472-S474 VanDerWaalsContact C-N 3.31Å; S472-S474 PolarHBondContact O-N 3.35Å; S474-V476 PolarHBondContact O-N 2.78Å; S474-V476 VanDerWaalsContact O-N 3.12Å
475	P	26	Very low	25.1	Very low	111 Å²	111	140.4 Å²	140.4	72%	0.721	78%	0.782	S	S	*	*			trans	-62.8	118.6	178.9	25.7	-31.1	0	0	0	108.6	V477	P475-V477 PolarHBondContact O-N 3.47Å
476	V	23.8	Very low	25.1	Very low	130 Å²	130	137.5 Å²	137.5	79%	0.788	77%	0.774	S	S	*	*			trans	-63.4	98.5	-178.4	177.8	0	0	0	0	109.3	S474 K478	S474-V476 PolarHBondContact O-N 2.78Å; S474-V476 VanDerWaalsContact O-N 3.12Å; V476-K478 HydrophobicContact CG1-CG 4.37Å; V476-K478 PolarHBondContact O-N 2.99Å
477	V	23.9	Very low	25.5	Very low	123 Å²	123	136.6 Å²	136.6	75%	0.745	77%	0.767	S	S	*	*			trans	-67.3	94.8	169.5	-179.7	0	0	0	0	108.1	P475 R479	P475-V477 PolarHBondContact O-N 3.47Å; V477-R479 PolarHBondContact O-N 3.16Å
478	K	23.6	Very low	25.8	Very low	169 Å²	169	137.2 Å²	137.2	74%	0.735	76%	0.764	S	S	*	*			trans	-77.8	100.5	166.1	-83.8	-172.6	176.7	-179.4	0	108.7	V476 Y480	V476-K478 HydrophobicContact CG1-CG 4.37Å; V476-K478 PolarHBondContact O-N 2.99Å; K478-Y480 PolarHBondContact O-N 2.82Å; K478-Y480 VanDerWaalsContact O-N 3.13Å
479	R	21.7	Very low	26	Very low	198 Å²	198	131.3 Å²	131.3	75%	0.747	75%	0.748	S	S	*	*			trans	-54.2	108.2	167.8	-67.9	179.3	178.2	151.7	-0.2	109.5	V477 Y481	V477-R479 PolarHBondContact O-N 3.16Å; R479-Y481 HydrophobicContact CB-CE2 4.46Å; R479-Y481 PolarHBondContact O-N 3.21Å
480	Y	24	Very low	26.1	Very low	203 Å²	203	137 Å²	137	80%	0.796	75%	0.749	S	S	*	*			trans	-84.5	94.8	163.6	-83.9	-89	0	0	0	107.9	K478	K478-Y480 PolarHBondContact O-N 2.82Å; K478-Y480 VanDerWaalsContact O-N 3.13Å
481	Y	22.6	Very low	26.3	Very low	175 Å²	175	137.3 Å²	137.3	69%	0.686	75%	0.746	S	S	*	*			trans	-63.8	128.1	153.8	-74.1	-82.9	0	0	0	106.9	R479 M483	R479-Y481 HydrophobicContact CB-CE2 4.46Å; R479-Y481 PolarHBondContact O-N 3.21Å; Y481-M483 PolarHBondContact O-N 2.63Å
482	P	28.2	Very low	26.7	Very low	127 Å²	127	130.6 Å²	130.6	83%	0.825	72%	0.724	S	S	*	*			trans	-68.9	88.1	167.9	28.4	-29.6	0	0	0	106.5	A484	P482-A484 PolarHBondContact O-N 3.14Å
483	M	24.2	Very low	27	Very low	167 Å²	167	131.8 Å²	131.8	82%	0.823	72%	0.717	S	S	*	*			trans	-55.6	114.9	168.3	-79.3	-81.7	-81.8	0	0	106.7	Y481	Y481-M483 PolarHBondContact O-N 2.63Å
484	A	28.8	Very low	27.2	Very low	78 Å²	78	130.9 Å²	130.9	65%	0.645	69%	0.69	S	S	*	*	S	Bend	trans	-48	142.1	160.3	0	0	0	0	0	108.8	P482	P482-A484 PolarHBondContact O-N 3.14Å
485	D	28.2	Very low	27.9	Very low	160 Å²	160	129.1 Å²	129.1	86%	0.856	68%	0.678	S	S	*	*			trans	73.9	55	164.5	-50.9	-25.3	0	0	0	117.8
486	S	26.4	Very low	29.1	Very low	91 Å²	91	131.4 Å²	131.4	64%	0.636	67%	0.672	S	S	*	*			trans	-128.6	118.3	149.7	-137.1	0	0	0	0	111.7	L488	S486-L488 PolarHBondContact O-N 3.03Å
487	P	33.2	Very low	30.9	Very low	92 Å²	92	127.1 Å²	127.1	60%	0.597	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-67.6	-1.7	-173.1	-14.9	25.9	0	0	0	115.7	C489	P487-C489 VanDerWaalsContact C-N 3.35Å; P487-C489 PolarHBondContact O-N 3.31Å
488	L	30.2	Very low	33.1	Very low	158 Å²	158	123.8 Å²	123.8	83%	0.827	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-89.9	9.2	-173.8	-65.4	174.1	0	0	0	114.4	S486	S486-L488 PolarHBondContact O-N 3.03Å
489	C	29.3	Very low	35.6	Very low	85 Å²	85	117.8 Å²	117.8	57%	0.574	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-94.4	7.2	-179.5	-137.8	0	0	0	0	114.6	P487 D491 S492	P487-C489 VanDerWaalsContact C-N 3.35Å; P487-C489 PolarHBondContact O-N 3.31Å; C489-D491 VanDerWaalsContact C-N 3.32Å; C489-S492 PolarHBondContact O-OG 3.13Å
490	W	26.6	Very low	38.1	Very low	188 Å²	188	110.2 Å²	110.2	71%	0.712	57%	0.572	S	S	*	*	S	Bend	trans	-66.6	-31.5	176	-61.9	-17.7	0	0	0	112.8	S492 Q493 I494	W490-S492 VanDerWaalsContact C-N 3.28Å; W490-S492 PolarHBondContact O-N 3.34Å; W490-Q493 PolarHBondContact O-N 2.82Å; W490-I494 PolarHBondContact O-N 2.81Å
491	D	28.8	Very low	40.3	Very low	133 Å²	133	103.7 Å²	103.7	71%	0.711	56%	0.555	S	S	*	*	H	α-helix	trans	-63.6	-30.9	-179.8	-106.2	-15.3	0	0	0	113.4	C489 S495	C489-D491 VanDerWaalsContact C-N 3.32Å; D491-S495 PolarHBondContact O-N 3.17Å
492	S	34.1	Very low	42.7	Very low	56 Å²	56	101.2 Å²	101.2	39%	0.392	56%	0.56	S	S	.	*	H	α-helix	trans	-78.5	-19	-178.1	72.4	0	0	0	0	114.3	C489 W490 S495	C489-S492 PolarHBondContact O-OG 3.13Å; W490-S492 VanDerWaalsContact C-N 3.28Å; W490-S492 PolarHBondContact O-N 3.34Å; S492-S495 PolarHBondContact O-OG 2.93Å; S492-S495 VanDerWaalsContact O-OG 3.05Å
493	Q	33.3	Very low	44.9	Very low	137 Å²	137	98.3 Å²	98.3	64%	0.64	53%	0.533	S	S	*	.	H	α-helix	trans	-85.8	-36.7	174.9	-74.7	-173.8	-22.1	0	0	111.4	W490 S495 R496	W490-Q493 PolarHBondContact O-N 2.82Å; Q493-S495 VanDerWaalsContact C-N 3.29Å; Q493-S495 PolarHBondContact O-N 3.13Å; Q493-R496 PolarHBondContact O-N 3.32Å
494	I	30.6	Very low	47.4	Very low	72 Å²	72	93.6 Å²	93.6	37%	0.369	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-38	173.7	-63.2	168.4	0	0	0	110.1	W490 R496 N497 L500 P501	W490-I494 PolarHBondContact O-N 2.81Å; I494-R496 PolarHBondContact O-N 3.19Å; I494-N497 PolarHBondContact O-N 2.93Å; I494-L500 HydrophobicContact CG2-CB 4.32Å; I494-P501 VanDerWaalsContact CG2-O 3.27Å; I494-P501 WeakPolarHBondContact CG2-O 3.38Å
495	S	39.2	Very low	50.1	Low	58 Å²	58	95.7 Å²	95.7	41%	0.406	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-0.7	-179.3	78.7	0	0	0	0	115.8	D491 S492 Q493	D491-S495 PolarHBondContact O-N 3.17Å; S492-S495 PolarHBondContact O-OG 2.93Å; S492-S495 VanDerWaalsContact O-OG 3.05Å; Q493-S495 VanDerWaalsContact C-N 3.29Å; Q493-S495 PolarHBondContact O-N 3.13Å
496	R	51.5	Low	53.1	Low	160 Å²	160	90.1 Å²	90.1	60%	0.604	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-20.7	-178.6	-69	-170	-175.5	-148	1.8	114.7	Q493 I494 P498	Q493-R496 PolarHBondContact O-N 3.32Å; I494-R496 PolarHBondContact O-N 3.19Å; R496-P498 VanDerWaalsContact O-CD 3.31Å; R496-P498 WeakPolarHBondContact O-CD 3.4Å
497	N	61.8	Low	56.1	Low	39 Å²	39	87.7 Å²	87.7	21%	0.209	47%	0.47	C	S	.	.			trans	-90.4	109.8	178.8	-172.4	-13	0	0	0	108.7	I494 R499 L500	I494-N497 PolarHBondContact O-N 2.93Å; N497-R499 PolarHBondContact O-N 2.8Å; N497-R499 VanDerWaalsContact OD1-CB 3.23Å; N497-R499 WeakPolarHBondContact OD1-CB 3.48Å; N497-R499 WeakPolarHBondContact OD1-CG 3.4Å; N497-R499 PolarHBondContact OD1-N 3.14Å; N497-L500 HydrophobicContact CB-CB 4.45Å; N497-L500 HydrophobicContact CB-CD1 4.06Å; N497-L500 HydrophobicContact CB-CG 4.11Å; N497-L500 PolarHBondContact O-N 3.36Å
498	P	68.2	Low	59	Low	54 Å²	54	85.9 Å²	85.9	35%	0.351	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.7	-179.6	27.2	-35.2	0	0	0	112.3	L365 H377 R496 L500 I746	L365-P498 HydrophobicContact CD1-CB 4.31Å; H377-P498 PolarHBondContact CE1-O 2.86Å; H377-P498 PolarHBondContact NE2-O 2.93Å; R496-P498 VanDerWaalsContact O-CD 3.31Å; R496-P498 WeakPolarHBondContact O-CD 3.4Å; P498-L500 VanDerWaalsContact C-N 3.3Å; P498-I746 HydrophobicContact CB-CD1 4.44Å; P498-I746 HydrophobicContact CB-CG1 4.28Å
499	R	77.5	Confident	62	Low	43 Å²	43	79.7 Å²	79.7	16%	0.162	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.5	177.5	-57	171.3	-176.8	-72.1	-8.7	113.8	F241 L365 P366 T373 A375 N497 Y503	F241-R499 VanDerWaalsContact CB-O 3.25Å; F241-R499 WeakPolarHBondContact CB-O 3.12Å; F241-R499 WeakPolarHBondContact CG-O 3.47Å; L365-R499 VanDerWaalsContact C-NH1 3.3Å; L365-R499 PolarHBondContact O-NH1 3.35Å; P366-R499 VanDerWaalsContact O-CZ 3.25Å; P366-R499 PolarHBondContact O-NH1 2.91Å; P366-R499 PolarHBondContact O-NH2 2.89Å; T373-R499 WeakPolarHBondContact O-CD 3.43Å; A375-R499 VanDerWaalsContact CB-CA 3.49Å; A375-R499 HydrophobicContact CB-CB 3.71Å; A375-R499 HydrophobicContact CB-CG 3.86Å; N497-R499 PolarHBondContact O-N 2.8Å; N497-R499 VanDerWaalsContact OD1-CB 3.23Å; N497-R499 WeakPolarHBondContact OD1-CB 3.48Å; N497-R499 WeakPolarHBondContact OD1-CG 3.4Å; N497-R499 PolarHBondContact OD1-N 3.14Å; R499-Y503 PolarHBondContact O-OH 3.04Å
500	L	74.4	Confident	65.1	Low	38 Å²	38	81.3 Å²	81.3	20%	0.199	43%	0.427	C	S	.	.	S	Bend	trans	-104.9	152.1	-178.6	-63.2	-179.5	0	0	0	110.5	F241 I494 N497 P498 Y503	F241-L500 HydrophobicContact CE1-CD2 4.4Å; F241-L500 HydrophobicContact CE2-CD2 4.35Å; F241-L500 HydrophobicContact CZ-CD2 4.21Å; I494-L500 HydrophobicContact CG2-CB 4.32Å; N497-L500 HydrophobicContact CB-CB 4.45Å; N497-L500 HydrophobicContact CB-CD1 4.06Å; N497-L500 HydrophobicContact CB-CG 4.11Å; N497-L500 PolarHBondContact O-N 3.36Å; P498-L500 VanDerWaalsContact C-N 3.3Å; L500-Y503 WeakPolarHBondContact O-CE1 3.42Å
501	P	70	Confident	68.3	Low	67 Å²	67	73.7 Å²	73.7	44%	0.435	41%	0.405	S	S	.	.	S	Bend	trans	-68.2	162.1	174.8	30.4	-34.6	0	0	0	111.3	I494 Y503	I494-P501 VanDerWaalsContact CG2-O 3.27Å; I494-P501 WeakPolarHBondContact CG2-O 3.38Å; P501-Y503 HydrophobicContact CB-CD2 4.43Å; P501-Y503 HydrophobicContact CB-CE2 4.06Å; P501-Y503 WeakPolarHBondContact CD-OH 3.22Å
502	P	72.9	Confident	71.4	Confident	122 Å²	122	69.2 Å²	69.2	79%	0.792	38%	0.382	S	S	*	.	S	Bend	cis	-77.6	130.5	2.5	30.4	-33.8	0	0	0	112.6
503	Y	75	Confident	74.3	Confident	67 Å²	67	67.7 Å²	67.7	26%	0.263	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-76.7	149.2	171.7	-52.1	-60.7	0	0	0	110.6	F241 H377 R499 L500 P501 L505	F241-Y503 VanDerWaalsContact CB-OH 3.32Å; F241-Y503 WeakPolarHBondContact CB-OH 3.45Å; H377-Y503 AromaticContact CD2-CD1 3.94Å; H377-Y503 AromaticContact NE2-CD1 3.82Å; R499-Y503 PolarHBondContact O-OH 3.04Å; L500-Y503 WeakPolarHBondContact O-CE1 3.42Å; P501-Y503 HydrophobicContact CB-CD2 4.43Å; P501-Y503 HydrophobicContact CB-CE2 4.06Å; P501-Y503 WeakPolarHBondContact CD-OH 3.22Å; Y503-L505 PolarHBondContact O-N 2.98Å
504	S	76.7	Confident	77.1	Confident	67 Å²	67	66.6 Å²	66.6	47%	0.469	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-59.4	134.4	167.8	54.6	0	0	0	0	110.1
505	L	84.4	Confident	80.1	Confident	123 Å²	123	63.9 Å²	63.9	64%	0.644	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-64	141.3	173	-66	173.8	0	0	0	110.2	V248 Y503	V248-L505 HydrophobicContact CG2-CD2 3.95Å; Y503-L505 PolarHBondContact O-N 2.98Å
506	P	90.5	Very high	82.3	Confident	43 Å²	43	68 Å²	68	28%	0.279	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-62.7	142.8	177.5	26.1	-34.8	0	0	0	111.2	H378 L379	H378-P506 HydrophobicContact CB-CB 4.41Å; H378-P506 WeakPolarHBondContact O-CA 3.36Å; H378-P506 WeakPolarHBondContact O-CB 3.16Å; L379-P506 WeakPolarHBondContact O-CA 3.13Å
507	V	90.1	Very high	83.4	Confident	40 Å²	40	61.8 Å²	61.8	24%	0.242	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.2	174.6	177.8	0	0	0	0	109.2	L379 Y380 T381 Q509	L379-V507 PolarHBondContact O-N 3.03Å; Y380-V507 VanDerWaalsContact CA-O 3.27Å; Y380-V507 WeakPolarHBondContact CA-O 3.18Å; Y380-V507 HydrophobicContact CD1-CB 3.62Å; Y380-V507 HydrophobicContact CD1-CG1 4.04Å; Y380-V507 HydrophobicContact CE1-CB 3.77Å; Y380-V507 HydrophobicContact CE1-CG1 4Å; Y380-V507 HydrophobicContact CE1-CG2 4.39Å; T381-V507 PolarHBondContact N-O 3.15Å; V507-Q509 PolarHBondContact O-N 3.34Å
508	A	93.3	Very high	83.4	Confident	54 Å²	54	63.6 Å²	63.6	45%	0.446	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	119.2	171.5	0	0	0	0	0	110.1	T381 F383	T381-A508 WeakPolarHBondContact O-CA 3.17Å; F383-A508 HydrophobicContact CD2-CB 4.39Å; F383-A508 HydrophobicContact CE2-CB 3.73Å
509	Q	93.1	Very high	82.9	Confident	27 Å²	27	63.8 Å²	63.8	13%	0.126	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127.8	-176	-176.4	61	47.6	0	0	110.8	Y380 T381 L382 F383 A416 V507	Y380-Q509 HydrophobicContact CD1-CB 4.35Å; T381-Q509 PolarHBondContact O-N 2.92Å; L382-Q509 CarbonylContact C-O 3.59Å; L382-Q509 VanDerWaalsContact CA-O 3.26Å; L382-Q509 WeakPolarHBondContact CA-O 3.49Å; L382-Q509 HydrophobicContact CD2-CB 3.8Å; L382-Q509 HydrophobicContact CD2-CG 4.19Å; F383-Q509 PolarHBondContact N-O 2.89Å; A416-Q509 WeakPolarHBondContact O-CG 3.35Å; V507-Q509 PolarHBondContact O-N 3.34Å
510	F	94.5	Very high	81.4	Confident	119 Å²	119	67.7 Å²	67.7	52%	0.522	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	157.3	174.2	-68	-90.7	0	0	0	110.4	F383 V512	F383-F510 HydrophobicContact CB-CD1 3.57Å; F383-F510 HydrophobicContact CB-CE1 3.56Å; F383-F510 HydrophobicContact CB-CG 4.3Å; F383-F510 HydrophobicContact CB-CZ 4.28Å; F383-F510 HydrophobicContact CD2-CE1 4.34Å; F383-F510 HydrophobicContact CD2-CE2 4.49Å; F383-F510 HydrophobicContact CD2-CZ 4.22Å; F383-F510 HydrophobicContact CG-CD1 4.43Å; F383-F510 HydrophobicContact CG-CE1 4.03Å; F383-F510 HydrophobicContact CG-CZ 4.3Å; F510-V512 PolarHBondContact O-N 2.9Å
511	A	94.9	Very high	79.6	Confident	29 Å²	29	71.5 Å²	71.5	24%	0.24	39%	0.387	C	S	.	.			trans	-56.7	123.8	171.5	0	0	0	0	0	109.3	F383 H413 V414 F415	F383-A511 PolarHBondContact O-N 3.42Å; H413-A511 HydrophobicContact CB-CB 3.92Å; V414-A511 CarbonylContact O-C 3.53Å; V414-A511 VanDerWaalsContact O-CA 3.26Å; V414-A511 WeakPolarHBondContact O-CA 3.26Å; F415-A511 HydrophobicContact CD1-CB 4.16Å; F415-A511 HydrophobicContact CE1-CB 3.73Å; F415-A511 HydrophobicContact CE2-CB 4.43Å; F415-A511 HydrophobicContact CZ-CB 3.89Å
512	V	93.9	Very high	78.2	Confident	38 Å²	38	70.3 Å²	70.3	23%	0.23	38%	0.378	C	S	.	.	S	Bend	trans	-77.5	-31	178.9	-65	0	0	0	0	111.2	W402 V414 A416 F510 V610	W402-V512 HydrophobicContact CZ3-CG2 4.04Å; V414-V512 HydrophobicContact CG1-CG2 4.3Å; V414-V512 VanDerWaalsContact O-CG2 3.3Å; V414-V512 WeakPolarHBondContact O-CG2 2.94Å; V414-V512 PolarHBondContact O-N 2.82Å; A416-V512 HydrophobicContact CB-CG1 4.14Å; F510-V512 PolarHBondContact O-N 2.9Å; V512-V610 HydrophobicContact CB-CB 3.98Å; V512-V610 HydrophobicContact CB-CG2 4.02Å; V512-V610 HydrophobicContact CG1-CG2 4.33Å; V512-V610 HydrophobicContact CG2-CB 3.84Å; V512-V610 HydrophobicContact CG2-CG1 4.18Å; V512-V610 HydrophobicContact CG2-CG2 3.93Å
513	V	94.5	Very high	76.6	Confident	25 Å²	25	67.9 Å²	67.9	15%	0.152	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145	175.5	-175.6	0	0	0	0	110.3	V414 V515 V610 L612	V414-V513 HydrophobicContact CB-CB 4.48Å; V414-V513 PolarHBondContact N-O 2.88Å; V414-V513 PolarHBondContact O-N 2.8Å; V513-V515 HydrophobicContact CG1-CG2 4.42Å; V513-V610 HydrophobicContact CG2-CB 4.09Å; V513-V610 HydrophobicContact CG2-CG1 4Å; V513-V610 WeakPolarHBondContact CG2-O 3.33Å; V513-L612 HydrophobicContact CB-CD1 4Å; V513-L612 HydrophobicContact CB-CG 4.05Å; V513-L612 HydrophobicContact CG1-CB 4.03Å; V513-L612 HydrophobicContact CG1-CD1 3.64Å; V513-L612 HydrophobicContact CG1-CG 3.71Å; V513-L612 HydrophobicContact CG2-CG 4.11Å
514	K	93.2	Very high	74.5	Confident	114 Å²	114	73.6 Å²	73.6	50%	0.496	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	110.1	173.6	-178.8	-176.3	-177.6	179.7	0	109.5	T411 S412	T411-K514 HydrophobicContact CG2-CD 4.11Å; T411-K514 HydrophobicContact CG2-CG 3.56Å; S412-K514 CarbonylContact O-C 3.49Å; S412-K514 WeakPolarHBondContact O-CA 3.43Å
515	V	92	Very high	72.4	Confident	15 Å²	15	77 Å²	77	9%	0.091	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.2	174.5	-174.4	0	0	0	0	108.4	T411 S412 V513 F575 F587 L612	T411-V515 CarbonylContact C-O 3.59Å; T411-V515 WeakPolarHBondContact CA-O 3.42Å; T411-V515 WeakPolarHBondContact CG2-O 3.11Å; S412-V515 PolarHBondContact N-O 3.23Å; S412-V515 PolarHBondContact O-N 2.93Å; V513-V515 HydrophobicContact CG1-CG2 4.42Å; V515-F575 HydrophobicContact CB-CE1 4.35Å; V515-F575 HydrophobicContact CG2-CD1 4.18Å; V515-F575 HydrophobicContact CG2-CE1 3.89Å; V515-F587 HydrophobicContact CG1-CE1 4.31Å; V515-F587 HydrophobicContact CG1-CE2 4.17Å; V515-F587 HydrophobicContact CG1-CZ 3.9Å; V515-L612 HydrophobicContact CG2-CD1 3.38Å
516	K	86.9	Confident	70.1	Confident	143 Å²	143	74.2 Å²	74.2	62%	0.622	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-91.5	151.2	172.6	-67.2	179.4	-177	173.1	0	109.1	L518	K516-L518 PolarHBondContact O-N 3.41Å
517	P	73.4	Confident	67.5	Low	30 Å²	30	75.4 Å²	75.4	20%	0.195	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-62.5	132.6	170	26	-28.4	0	0	0	108.4	G410 D519 F520	G410-P517 WeakPolarHBondContact O-CD 3.45Å; P517-D519 PolarHBondContact O-N 3.05Å; P517-F520 HydrophobicContact CG-CB 4.24Å; P517-F520 HydrophobicContact CG-CD2 4.27Å; P517-F520 PolarHBondContact O-N 3.29Å
518	L	61.1	Low	64.7	Low	78 Å²	78	78.7 Å²	78.7	41%	0.408	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.5	-172.4	-155.6	70.6	0	0	0	111.4	H20 K516	H20-L518 WeakPolarHBondContact NE2-CD2 3.25Å; K516-L518 PolarHBondContact O-N 3.41Å
519	D	58.4	Low	62	Low	58 Å²	58	79.2 Å²	79.2	31%	0.31	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	30.8	-174.9	-73.5	-21	0	0	0	114	P517 L521 T522 K583	P517-D519 PolarHBondContact O-N 3.05Å; D519-L521 PolarHBondContact O-N 2.86Å; D519-T522 WeakPolarHBondContact CB-OG1 3.34Å; D519-T522 PolarHBondContact O-N 2.83Å; D519-T522 PolarHBondContact O-OG1 2.7Å; D519-K583 IonicContact OD2-NZ 3.46Å; D519-K583 PolarHBondContact OD2-NZ 3.3Å
520	F	46.5	Very low	59.4	Low	125 Å²	125	80 Å²	80	55%	0.548	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.4	179.1	-173.2	-101.1	0	0	0	113.9	P517	P517-F520 HydrophobicContact CG-CB 4.24Å; P517-F520 HydrophobicContact CG-CD2 4.27Å; P517-F520 PolarHBondContact O-N 3.29Å
521	L	36.1	Very low	56.6	Low	117 Å²	117	77.6 Å²	77.6	61%	0.613	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-9.2	-175.7	-67.4	177.4	0	0	0	114	D519	D519-L521 PolarHBondContact O-N 2.86Å
522	T	41.5	Very low	53.7	Low	42 Å²	42	81.2 Å²	81.2	26%	0.258	43%	0.432	S	S	.	.	S	Bend	trans	-97.7	-1.9	-170.5	30.6	0	0	0	0	116.1	R35 D519	R35-T522 VanDerWaalsContact NH1-CG2 3.33Å; D519-T522 WeakPolarHBondContact CB-OG1 3.34Å; D519-T522 PolarHBondContact O-N 2.83Å; D519-T522 PolarHBondContact O-OG1 2.7Å
523	T	38.1	Very low	51	Low	72 Å²	72	83 Å²	83	44%	0.442	44%	0.435	S	S	.	.			trans	-107.8	26.1	-177.4	66.4	0	0	0	0	114.4	L526	T523-L526 WeakPolarHBondContact O-CG 3.31Å
524	Q	30.8	Very low	48.2	Very low	186 Å²	186	88.9 Å²	88.9	87%	0.869	46%	0.455	S	S	*	.			trans	-88.1	-7.1	-179.8	-133.6	177.7	7.9	0	0	114.8
525	E	34.2	Very low	45.4	Very low	140 Å²	140	88.5 Å²	88.5	65%	0.654	46%	0.455	S	S	*	.	S	Bend	trans	-101.1	78.8	166.9	-70.7	-173.5	168.8	0	0	109.7
526	L	36.1	Very low	42.7	Very low	64 Å²	64	90.4 Å²	90.4	34%	0.335	46%	0.464	S	S	.	.			trans	-84.1	119.7	175.5	-65	158.6	0	0	0	107.9	T523 D530 V531	T523-L526 WeakPolarHBondContact O-CG 3.31Å; L526-D530 HydrophobicContact CB-CB 4.05Å; L526-D530 HydrophobicContact CD2-CB 3.41Å; L526-D530 VanDerWaalsContact CD2-CB 3.41Å; L526-D530 HydrophobicContact CG-CB 4.31Å; L526-V531 HydrophobicContact CB-CG2 3.8Å; L526-V531 HydrophobicContact CD1-CG2 4.26Å
527	S	34.8	Very low	40.5	Very low	67 Å²	67	85.6 Å²	85.6	47%	0.469	44%	0.442	S	S	.	.			trans	-49.2	147.2	157.3	161.3	0	0	0	0	109	S529 D530 V531	S527-S529 PolarHBondContact O-N 3.45Å; S527-S529 PolarHBondContact OG-N 2.89Å; S527-S529 PolarHBondContact OG-OG 2.65Å; S527-D530 PolarHBondContact O-N 3.38Å; S527-V531 PolarHBondContact O-N 3.24Å
528	C	31.4	Very low	38.7	Very low	109 Å²	109	87.1 Å²	87.1	74%	0.736	45%	0.451	S	S	*	.	H	α-helix	trans	-47.8	-27.4	174	-74.5	0	0	0	0	112.8	L532	C528-L532 WeakPolarHBondContact O-CG 3.49Å; C528-L532 PolarHBondContact O-N 2.82Å
529	S	36.9	Very low	37.5	Very low	66 Å²	66	85.5 Å²	85.5	46%	0.462	45%	0.446	S	S	.	.	H	α-helix	trans	-63.2	-40	173.5	-45.7	0	0	0	0	113.1	S527 L532 W533	S527-S529 PolarHBondContact O-N 3.45Å; S527-S529 PolarHBondContact OG-N 2.89Å; S527-S529 PolarHBondContact OG-OG 2.65Å; S529-L532 PolarHBondContact O-N 3.35Å; S529-W533 PolarHBondContact O-N 3.08Å; S529-W533 PolarHBondContact O-NE1 3.24Å
530	D	38.2	Very low	36.3	Very low	44 Å²	44	90.2 Å²	90.2	24%	0.235	47%	0.466	C	S	.	.	H	α-helix	trans	-81.2	-24.1	-177.2	-69	-39.2	0	0	0	114.1	R50 L526 S527 W533 R534	R50-D530 IonicContact CZ-OD1 3.54Å; R50-D530 IonicContact NH1-OD1 2.97Å; R50-D530 PolarHBondContact NH1-OD1 3.47Å; R50-D530 IonicContact NH2-OD1 3.61Å; R50-D530 PolarHBondContact NH2-OD1 2.86Å; L526-D530 HydrophobicContact CB-CB 4.05Å; L526-D530 HydrophobicContact CD2-CB 3.41Å; L526-D530 VanDerWaalsContact CD2-CB 3.41Å; L526-D530 HydrophobicContact CG-CB 4.31Å; S527-D530 PolarHBondContact O-N 3.38Å; D530-W533 PolarHBondContact O-N 3.09Å; D530-R534 PolarHBondContact O-N 3.25Å
531	V	35.7	Very low	35.6	Very low	67 Å²	67	87.9 Å²	87.9	41%	0.406	46%	0.459	S	S	.	.	H	α-helix	trans	-66.4	-40.5	169.4	-178.4	0	0	0	0	110.5	L526 S527 W533 R534 Q535	L526-V531 HydrophobicContact CB-CG2 3.8Å; L526-V531 HydrophobicContact CD1-CG2 4.26Å; S527-V531 PolarHBondContact O-N 3.24Å; V531-W533 VanDerWaalsContact C-N 3.33Å; V531-W533 PolarHBondContact O-N 3.28Å; V531-R534 PolarHBondContact O-N 3.11Å; V531-Q535 PolarHBondContact O-N 3.05Å
532	L	34	Very low	35.7	Very low	105 Å²	105	84.8 Å²	84.8	55%	0.55	45%	0.45	S	S	.	.	H	α-helix	trans	-63.1	-39	172.7	-69.1	170.3	0	0	0	111.4	C528 S529 Q535 L536	C528-L532 WeakPolarHBondContact O-CG 3.49Å; C528-L532 PolarHBondContact O-N 2.82Å; S529-L532 PolarHBondContact O-N 3.35Å; L532-Q535 PolarHBondContact O-N 3.31Å; L532-L536 WeakPolarHBondContact O-CG 3.45Å; L532-L536 PolarHBondContact O-N 2.83Å
533	W	37.3	Very low	35.7	Very low	76 Å²	76	89.8 Å²	89.8	29%	0.288	47%	0.465	S	S	.	.	H	α-helix	trans	-65.6	-41.6	174.1	-67.5	117.5	0	0	0	112.6	S529 D530 V531 Q535 L536 Y537 L544	S529-W533 PolarHBondContact O-N 3.08Å; S529-W533 PolarHBondContact O-NE1 3.24Å; D530-W533 PolarHBondContact O-N 3.09Å; V531-W533 VanDerWaalsContact C-N 3.33Å; V531-W533 PolarHBondContact O-N 3.28Å; W533-Q535 VanDerWaalsContact C-N 3.33Å; W533-Q535 PolarHBondContact O-N 2.84Å; W533-L536 HydrophobicContact CD2-CD1 4.18Å; W533-L536 HydrophobicContact CE3-CD1 3.41Å; W533-L536 VanDerWaalsContact CE3-CD1 3.41Å; W533-L536 HydrophobicContact CZ3-CD1 3.61Å; W533-L536 WeakPolarHBondContact O-CB 3.17Å; W533-L536 PolarHBondContact O-N 3.46Å; W533-L536 VanDerWaalsContact O-N 3.14Å; W533-Y537 HydrophobicContact CB-CE2 4.3Å; W533-Y537 WeakPolarHBondContact O-CD2 3.44Å; W533-Y537 WeakPolarHBondContact O-CE2 3.47Å; W533-Y537 PolarHBondContact O-N 2.92Å; W533-Y537 VanDerWaalsContact O-N 3.15Å; W533-L544 HydrophobicContact CZ3-CD1 4.24Å
534	R	36.3	Very low	36	Very low	149 Å²	149	86.7 Å²	86.7	56%	0.562	45%	0.445	S	S	*	.	H	α-helix	trans	-63.7	-36.3	172.9	-112.7	-174.3	-158.7	-145.1	7	113.2	D530 V531 L536 Y537 T538	D530-R534 PolarHBondContact O-N 3.25Å; V531-R534 PolarHBondContact O-N 3.11Å; R534-L536 VanDerWaalsContact C-N 3.3Å; R534-Y537 PolarHBondContact O-N 3.48Å; R534-Y537 VanDerWaalsContact O-N 3.12Å; R534-T538 PolarHBondContact O-N 2.94Å
535	Q	33.7	Very low	37	Very low	106 Å²	106	81.2 Å²	81.2	50%	0.495	42%	0.419	S	S	.	.	H	α-helix	trans	-66.7	-31	173.1	-78.3	178.2	-40.9	0	0	112.4	V531 L532 W533 Y537 T538 N541	V531-Q535 PolarHBondContact O-N 3.05Å; L532-Q535 PolarHBondContact O-N 3.31Å; W533-Q535 VanDerWaalsContact C-N 3.33Å; W533-Q535 PolarHBondContact O-N 2.84Å; Q535-Y537 VanDerWaalsContact C-N 3.29Å; Q535-T538 PolarHBondContact O-N 3.46Å; Q535-T538 PolarHBondContact O-OG1 3.2Å; Q535-N541 PolarHBondContact O-ND2 2.9Å; Q535-N541 VanDerWaalsContact O-ND2 3.14Å
536	L	35.3	Very low	38.5	Very low	54 Å²	54	75.2 Å²	75.2	28%	0.283	39%	0.39	S	S	.	.	H	α-helix	trans	-67.6	-26.9	169.7	-70.4	164.6	0	0	0	112.7	L532 W533 R534	L532-L536 WeakPolarHBondContact O-CG 3.45Å; L532-L536 PolarHBondContact O-N 2.83Å; W533-L536 HydrophobicContact CD2-CD1 4.18Å; W533-L536 HydrophobicContact CE3-CD1 3.41Å; W533-L536 VanDerWaalsContact CE3-CD1 3.41Å; W533-L536 HydrophobicContact CZ3-CD1 3.61Å; W533-L536 WeakPolarHBondContact O-CB 3.17Å; W533-L536 PolarHBondContact O-N 3.46Å; W533-L536 VanDerWaalsContact O-N 3.14Å; R534-L536 VanDerWaalsContact C-N 3.3Å
537	Y	41.5	Very low	40	Very low	43 Å²	43	74.7 Å²	74.7	17%	0.169	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-0.9	175.7	-65	-59.6	0	0	0	115	W533 R534 Q535 L544 Y546	W533-Y537 HydrophobicContact CB-CE2 4.3Å; W533-Y537 WeakPolarHBondContact O-CD2 3.44Å; W533-Y537 WeakPolarHBondContact O-CE2 3.47Å; W533-Y537 PolarHBondContact O-N 2.92Å; W533-Y537 VanDerWaalsContact O-N 3.15Å; R534-Y537 PolarHBondContact O-N 3.48Å; R534-Y537 VanDerWaalsContact O-N 3.12Å; Q535-Y537 VanDerWaalsContact C-N 3.29Å; Y537-L544 WeakPolarHBondContact CD1-O 3.44Å; Y537-Y546 AromaticContact CE1-CD2 3.75Å; Y537-Y546 HydrophobicContact CE1-CD2 3.75Å; Y537-Y546 HydrophobicContact CE1-CG 4.3Å; Y537-Y546 WeakPolarHBondContact OH-CD2 3.31Å
538	T	34.6	Very low	42.3	Very low	61 Å²	61	72.5 Å²	72.5	37%	0.374	37%	0.371	S	S	.	.	S	Bend	trans	-73.3	146.1	173.1	64.1	0	0	0	0	110	R534 Q535 H540 N541	R534-T538 PolarHBondContact O-N 2.94Å; Q535-T538 PolarHBondContact O-N 3.46Å; Q535-T538 PolarHBondContact O-OG1 3.2Å; T538-H540 PolarHBondContact O-N 3.22Å; T538-N541 PolarHBondContact O-N 3.39Å
539	S	36.5	Very low	45.1	Very low	45 Å²	45	68.3 Å²	68.3	32%	0.315	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-14.9	178.1	-63.3	0	0	0	0	115.6
540	H	33.1	Very low	47.8	Very low	157 Å²	157	65.6 Å²	65.6	73%	0.727	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-21.2	-177.6	-60.8	-66.6	0	0	0	114.6	T538	T538-H540 PolarHBondContact O-N 3.22Å
541	N	32.4	Very low	50.5	Low	75 Å²	75	64.1 Å²	64.1	40%	0.401	32%	0.317	S	S	.	.			trans	-103.1	88.2	178.1	-81	-36.9	0	0	0	110.5	Q535 T538 R543	Q535-N541 PolarHBondContact O-ND2 2.9Å; Q535-N541 VanDerWaalsContact O-ND2 3.14Å; T538-N541 PolarHBondContact O-N 3.39Å; N541-R543 PolarHBondContact O-N 3.04Å
542	A	37.5	Very low	53.4	Low	52 Å²	52	62 Å²	62	43%	0.43	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	6.9	-176.1	0	0	0	0	0	116.8
543	R	40.5	Very low	56.5	Low	148 Å²	148	57.4 Å²	57.4	56%	0.558	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-25.7	-170.4	-67.4	-171	-179.5	-147.9	-5.9	114.4	D149 N541	D149-R543 IonicContact OD1-CZ 3.38Å; D149-R543 IonicContact OD1-NH1 3.85Å; D149-R543 PolarHBondContact OD1-NH1 3.22Å; D149-R543 IonicContact OD1-NH2 3.29Å; D149-R543 PolarHBondContact OD1-NH2 2.74Å; D149-R543 IonicContact OD2-NH2 2.67Å; N541-R543 PolarHBondContact O-N 3.04Å
544	L	45.9	Very low	59.2	Low	7 Å²	7	54.3 Å²	54.3	4%	0.037	27%	0.27	C	S	.	.			trans	-148	79.4	-171.6	-68.1	174.8	0	0	0	113	Y145 W533 Y537 Y546	Y145-L544 HydrophobicContact CD2-CD2 3.55Å; Y145-L544 HydrophobicContact CE2-CD1 3.83Å; Y145-L544 HydrophobicContact CE2-CD2 3.27Å; Y145-L544 HydrophobicContact CE2-CG 3.89Å; W533-L544 HydrophobicContact CZ3-CD1 4.24Å; Y537-L544 WeakPolarHBondContact CD1-O 3.44Å; L544-Y546 HydrophobicContact CB-CD2 4.49Å; L544-Y546 HydrophobicContact CB-CE2 4.17Å; L544-Y546 HydrophobicContact CD1-CE2 4.36Å; L544-Y546 HydrophobicContact CD2-CE1 4.31Å; L544-Y546 HydrophobicContact CD2-CE2 3.75Å; L544-Y546 VanDerWaalsContact CD2-CZ 3.49Å; L544-Y546 WeakPolarHBondContact CD2-OH 3.33Å; L544-Y546 HydrophobicContact CG-CE2 4.31Å
545	F	52	Low	61.9	Low	70 Å²	70	48.3 Å²	48.3	31%	0.307	25%	0.251	S	S	.	.			trans	-94.1	98.1	165.4	-72.9	-75.9	0	0	0	109.7
546	Y	65.5	Low	64.7	Low	15 Å²	15	43.2 Å²	43.2	6%	0.059	23%	0.227	C	C	.	.			trans	-95.4	138	173.6	-74.6	-37.6	0	0	0	110.1	L52 W53 Q392 Y537 L544 T548	L52-Y546 HydrophobicContact CB-CD2 4.29Å; L52-Y546 HydrophobicContact CB-CE2 4.24Å; W53-Y546 VanDerWaalsContact CB-CB 3.47Å; W53-Y546 HydrophobicContact CB-CD1 3.61Å; W53-Y546 HydrophobicContact CB-CG 3.6Å; W53-Y546 AromaticContact CD1-CD1 3.13Å; W53-Y546 AromaticContact CD1-CE1 3.2Å; W53-Y546 AromaticContact CD1-CG 3.74Å; W53-Y546 AromaticContact CD1-CZ 3.85Å; W53-Y546 AromaticContact CG-CD1 3.52Å; W53-Y546 HydrophobicContact CG-CD1 3.52Å; W53-Y546 HydrophobicContact CG-CE1 4.04Å; W53-Y546 AromaticContact CG-CG 3.99Å; W53-Y546 HydrophobicContact CG-CG 3.99Å; W53-Y546 AromaticContact NE1-CD1 3.92Å; W53-Y546 AromaticContact NE1-CE1 3.63Å; Q392-Y546 PolarHBondContact NE2-O 2.67Å; Y537-Y546 AromaticContact CE1-CD2 3.75Å; Y537-Y546 HydrophobicContact CE1-CD2 3.75Å; Y537-Y546 HydrophobicContact CE1-CG 4.3Å; Y537-Y546 WeakPolarHBondContact OH-CD2 3.31Å; L544-Y546 HydrophobicContact CB-CD2 4.49Å; L544-Y546 HydrophobicContact CB-CE2 4.17Å; L544-Y546 HydrophobicContact CD1-CE2 4.36Å; L544-Y546 HydrophobicContact CD2-CE1 4.31Å; L544-Y546 HydrophobicContact CD2-CE2 3.75Å; L544-Y546 VanDerWaalsContact CD2-CZ 3.49Å; L544-Y546 WeakPolarHBondContact CD2-OH 3.33Å; L544-Y546 HydrophobicContact CG-CE2 4.31Å; Y546-T548 PolarHBondContact O-N 3.06Å
547	L	67.8	Low	67.4	Low	52 Å²	52	40.9 Å²	40.9	27%	0.272	21%	0.214	S	C	.	.			trans	-65	104.2	164.6	-66.5	-176.7	0	0	0	107.6	W53 V54 Q392 Q549	W53-L547 CarbonylContact C-O 3.48Å; W53-L547 WeakPolarHBondContact CA-O 3.49Å; V54-L547 PolarHBondContact N-O 3.49Å; V54-L547 WeakPolarHBondContact O-CB 3.32Å; Q392-L547 HydrophobicContact CB-CD2 3.73Å; Q392-L547 HydrophobicContact CG-CD2 4.43Å; Q392-L547 WeakPolarHBondContact O-CD2 3.27Å; L547-Q549 VanDerWaalsContact C-N 3.26Å
548	T	83.2	Confident	69.7	Low	22 Å²	22	38.8 Å²	38.8	14%	0.135	21%	0.206	C	C	.	.	S	Bend	trans	-80.9	-19	176	53.2	0	0	0	0	111.3	Q392 Y546 G579 I580	Q392-T548 PolarHBondContact OE1-OG1 2.91Å; Y546-T548 PolarHBondContact O-N 3.06Å; T548-G579 WeakPolarHBondContact O-CA 3.02Å; T548-I580 PolarHBondContact O-N 2.84Å; T548-I580 VanDerWaalsContact O-N 3.12Å
549	Q	89.8	Confident	72.1	Confident	20 Å²	20	37.5 Å²	37.5	9%	0.093	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	135	173.9	-165.5	82.3	33	0	0	108.6	T406 L547 V578	T406-Q549 HydrophobicContact CG2-CB 4.01Å; T406-Q549 HydrophobicContact CG2-CG 4.04Å; L547-Q549 VanDerWaalsContact C-N 3.26Å; Q549-V578 CarbonylContact C-O 3.45Å; Q549-V578 WeakPolarHBondContact CA-O 3.06Å; Q549-V578 PolarHBondContact NE2-O 2.78Å
550	A	92.9	Very high	74.3	Confident	9 Å²	9	38.7 Å²	38.7	7%	0.074	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	153	168.6	0	0	0	0	0	110	V54 F56 T577 V578	V54-A550 HydrophobicContact CG2-CB 4.37Å; F56-A550 HydrophobicContact CD2-CB 3.77Å; F56-A550 HydrophobicContact CE2-CB 4.04Å; A550-T577 WeakPolarHBondContact O-CA 3.36Å; A550-V578 HydrophobicContact CB-CG1 3.85Å; A550-V578 PolarHBondContact N-O 2.87Å; A550-V578 PolarHBondContact O-N 2.79Å
551	A	95.9	Very high	76.9	Confident	14 Å²	14	33.8 Å²	33.8	12%	0.116	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	150.1	178.3	0	0	0	0	0	110.8	F575 Y576 T577	A551-F575 HydrophobicContact CB-CE2 3.75Å; A551-F575 HydrophobicContact CB-CZ 3.53Å; A551-Y576 WeakPolarHBondContact CA-O 3.18Å; A551-T577 HydrophobicContact CB-CG2 4.38Å
552	T	97	Very high	79.5	Confident	23 Å²	23	33.1 Å²	33.1	14%	0.141	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	159.8	172.8	-165.6	0	0	0	0	111.4	F56 L80 Y576	F56-T552 HydrophobicContact CD1-CG2 3.71Å; F56-T552 HydrophobicContact CD2-CG2 3.85Å; F56-T552 HydrophobicContact CE1-CG2 3.66Å; F56-T552 HydrophobicContact CE2-CG2 3.82Å; F56-T552 HydrophobicContact CG-CG2 3.81Å; F56-T552 HydrophobicContact CZ-CG2 3.73Å; L80-T552 HydrophobicContact CD2-CG2 3.77Å; T552-Y576 PolarHBondContact N-O 2.86Å; T552-Y576 PolarHBondContact O-N 3.22Å
553	F	97.2	Very high	81.4	Confident	8 Å²	8	34.7 Å²	34.7	4%	0.035	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	144.4	165.4	-63.5	-81.8	0	0	0	109.5	V395 W402 A404 V414 L573 A574 F575	V395-F553 HydrophobicContact CG1-CD2 4.17Å; V395-F553 HydrophobicContact CG1-CE2 4.11Å; W402-F553 HydrophobicContact CB-CD1 4.33Å; W402-F553 HydrophobicContact CB-CD2 4.46Å; W402-F553 HydrophobicContact CB-CE1 3.81Å; W402-F553 HydrophobicContact CB-CE2 3.96Å; W402-F553 HydrophobicContact CB-CZ 3.61Å; W402-F553 HydrophobicContact CG-CE1 4.38Å; A404-F553 HydrophobicContact CB-CE2 3.77Å; A404-F553 HydrophobicContact CB-CZ 3.85Å; V414-F553 HydrophobicContact CG1-CE1 4.37Å; V414-F553 HydrophobicContact CG1-CZ 4.04Å; V414-F553 HydrophobicContact CG2-CZ 4.47Å; F553-L573 HydrophobicContact CB-CD1 4.16Å; F553-L573 HydrophobicContact CD1-CD2 4.39Å; F553-A574 WeakPolarHBondContact CA-O 3.41Å; F553-F575 HydrophobicContact CD1-CB 4.24Å; F553-F575 AromaticContact CD1-CD2 3.84Å; F553-F575 HydrophobicContact CD1-CD2 3.84Å; F553-F575 HydrophobicContact CE1-CB 4.15Å; F553-F575 AromaticContact CE1-CD2 3.51Å; F553-F575 HydrophobicContact CE1-CD2 3.51Å; F553-F575 HydrophobicContact CE1-CE2 4.32Å; F553-F575 HydrophobicContact CE1-CG 4.22Å; F553-F575 HydrophobicContact CE2-CD2 4.32Å; F553-F575 HydrophobicContact CE2-CE2 4.46Å; F553-F575 HydrophobicContact CG-CD2 4.38Å; F553-F575 AromaticContact CZ-CD2 3.77Å; F553-F575 HydrophobicContact CZ-CD2 3.77Å; F553-F575 HydrophobicContact CZ-CE2 4.12Å
554	A	95.3	Very high	82.4	Confident	10 Å²	10	35.8 Å²	35.8	8%	0.083	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	173.5	169.7	0	0	0	0	0	110.2	L80 A574 Y576	L80-A554 HydrophobicContact CD1-CB 4.2Å; L80-A554 HydrophobicContact CD2-CB 3.6Å; L80-A554 HydrophobicContact CG-CB 4.08Å; A554-A574 PolarHBondContact N-O 2.82Å; A554-A574 CarbonylContact O-C 3.49Å; A554-A574 WeakPolarHBondContact O-CA 3.27Å; A554-A574 PolarHBondContact O-N 3.06Å; A554-Y576 HydrophobicContact CB-CD2 4.16Å; A554-Y576 HydrophobicContact CB-CE2 3.91Å
555	S	92.6	Very high	82.7	Confident	23 Å²	23	40.8 Å²	40.8	16%	0.161	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	141.6	171.4	-59.3	0	0	0	0	111.5	E77 R557 I572 Y576	E77-S555 WeakPolarHBondContact OE1-CB 3.45Å; E77-S555 PolarHBondContact OE1-OG 3.42Å; S555-R557 PolarHBondContact O-NH1 3.44Å; S555-I572 CarbonylContact C-O 3.5Å; S555-I572 WeakPolarHBondContact CA-O 3.24Å; S555-Y576 PolarHBondContact O-OH 2.92Å
556	A	92.3	Very high	82.7	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.			trans	-65.4	142.9	176.3	0	0	0	0	0	111.6	I559 I572 A574	A556-I559 HydrophobicContact CB-CG2 3.57Å; A556-I572 HydrophobicContact CB-CB 4.01Å; A556-I572 HydrophobicContact CB-CG2 3.88Å; A556-I572 PolarHBondContact N-O 3.16Å; A556-A574 HydrophobicContact CB-CB 3.76Å
557	R	92	Very high	82	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.015	27%	0.271	C	S	.	.			trans	-128.1	-52.7	-175.5	-68	171.2	-178.2	71.9	7.5	111.2	V78 L80 C95 M96 S555 I559 R560 V561 Y576 E586	V78-R557 PolarHBondContact O-NH2 3.25Å; L80-R557 VanDerWaalsContact CD1-NH1 3.27Å; C95-R557 PolarHBondContact O-NE 3Å; C95-R557 WeakPolarHBondContact SG-CD 3.5Å; M96-R557 WeakPolarHBondContact O-CD 3.35Å; S555-R557 PolarHBondContact O-NH1 3.44Å; R557-I559 PolarHBondContact O-N 2.7Å; R557-R560 WeakPolarHBondContact O-CB 3.4Å; R557-R560 PolarHBondContact O-N 3.45Å; R557-V561 PolarHBondContact O-N 2.89Å; R557-Y576 PolarHBondContact N-OH 2.75Å; R557-Y576 VanDerWaalsContact N-OH 3.16Å; R557-Y576 PolarHBondContact NH1-OH 3.1Å; R557-Y576 VanDerWaalsContact NH1-OH 3.16Å; R557-E586 PolarHBondContact N-OE1 3.08Å; R557-E586 PolarHBondContact N-OE2 2.89Å
558	G	88.9	Confident	81.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-41.2	-176.9	0	0	0	0	0	113	R560 V561 L562 E586	G558-R560 PolarHBondContact O-N 2.86Å; G558-V561 PolarHBondContact O-N 2.77Å; G558-V561 VanDerWaalsContact O-N 3.14Å; G558-L562 WeakPolarHBondContact O-CG 3.5Å; G558-L562 PolarHBondContact O-N 3.37Å; G558-E586 VanDerWaalsContact N-CD 3.33Å; G558-E586 PolarHBondContact N-OE1 3.23Å; G558-E586 VanDerWaalsContact N-OE1 3.14Å; G558-E586 PolarHBondContact N-OE2 3.49Å
559	I	85.4	Confident	79.7	Confident	33 Å²	33	62.6 Å²	62.6	17%	0.169	32%	0.324	C	S	.	.	H	α-helix	trans	-58.2	-35.4	175.4	-165.8	175.2	0	0	0	112.6	A556 R557 V561 N563 E586 T615	A556-I559 HydrophobicContact CB-CG2 3.57Å; R557-I559 PolarHBondContact O-N 2.7Å; I559-V561 VanDerWaalsContact C-N 3.31Å; I559-V561 PolarHBondContact O-N 3.4Å; I559-N563 WeakPolarHBondContact O-CB 3.31Å; I559-N563 PolarHBondContact O-N 3.03Å; I559-E586 PolarHBondContact N-OE1 3.2Å; I559-T615 HydrophobicContact CB-CG2 4.46Å; I559-T615 HydrophobicContact CD1-CG2 4.26Å
560	R	84.2	Confident	78.4	Confident	70 Å²	70	63.6 Å²	63.6	26%	0.264	34%	0.339	S	S	.	.	H	α-helix	trans	-68.9	-31.9	-179.6	-66.8	179.5	169.6	166.9	-2.5	112.2	R557 G558 G570	R557-R560 WeakPolarHBondContact O-CB 3.4Å; R557-R560 PolarHBondContact O-N 3.45Å; G558-R560 PolarHBondContact O-N 2.86Å; R560-G570 PolarHBondContact NH2-O 2.9Å
561	V	86.6	Confident	77.3	Confident	54 Å²	54	68.5 Å²	68.5	33%	0.327	36%	0.361	S	S	.	.	H	α-helix	trans	-81.8	-42.2	178.5	-177.4	0	0	0	0	111.1	P17 N98 R557 G558 I559	P17-V561 HydrophobicContact CG-CB 3.8Å; P17-V561 HydrophobicContact CG-CG1 3.75Å; P17-V561 HydrophobicContact CG-CG2 4.11Å; N98-V561 WeakPolarHBondContact O-CG2 3.49Å; R557-V561 PolarHBondContact O-N 2.89Å; G558-V561 PolarHBondContact O-N 2.77Å; G558-V561 VanDerWaalsContact O-N 3.14Å; I559-V561 VanDerWaalsContact C-N 3.31Å; I559-V561 PolarHBondContact O-N 3.4Å
562	L	86.3	Confident	76.7	Confident	61 Å²	61	69.3 Å²	69.3	32%	0.319	36%	0.363	S	S	.	.	H	α-helix	trans	-80	-28.7	-173.9	-65.2	173.5	0	0	0	113.3	P19 G558 A616	P19-L562 HydrophobicContact CB-CD1 4.22Å; G558-L562 WeakPolarHBondContact O-CG 3.5Å; G558-L562 PolarHBondContact O-N 3.37Å; L562-A616 HydrophobicContact CD1-CB 3.84Å
563	N	78.4	Confident	76.5	Confident	85 Å²	85	70.2 Å²	70.2	46%	0.455	37%	0.367	S	S	.	.			trans	-106.1	74.5	176	-72.4	-22.2	0	0	0	110.9	I559 S565	I559-N563 WeakPolarHBondContact O-CB 3.31Å; I559-N563 PolarHBondContact O-N 3.03Å; N563-S565 PolarHBondContact O-N 3.15Å; N563-S565 VanDerWaalsContact O-N 3.16Å
564	E	61.3	Low	76.4	Confident	172 Å²	172	69.9 Å²	69.9	80%	0.804	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-26	174.4	-67	-174.2	161.9	0	0	112.7
565	S	53.1	Low	76.5	Confident	111 Å²	111	69.4 Å²	69.4	78%	0.776	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-11.8	-169.8	55.6	0	0	0	0	116.2	N563	N563-S565 PolarHBondContact O-N 3.15Å; N563-S565 VanDerWaalsContact O-N 3.16Å
566	Q	51.6	Low	76.7	Confident	138 Å²	138	68.3 Å²	68.3	65%	0.645	35%	0.353	S	S	*	.			trans	-136.3	80.8	175.1	-68.5	-164.4	12.3	0	0	109.2	Q568	Q566-Q568 PolarHBondContact O-N 3.03Å
567	L	49.5	Very low	76.9	Confident	153 Å²	153	68.6 Å²	68.6	80%	0.801	36%	0.355	S	S	*	.			trans	-61.7	81.5	161.1	-73.8	162.6	0	0	0	107.9	E569	L567-E569 VanDerWaalsContact C-N 3.29Å; L567-E569 PolarHBondContact O-N 3.48Å
568	Q	52.4	Low	77	Confident	129 Å²	129	68.4 Å²	68.4	60%	0.603	35%	0.354	S	S	*	.			trans	-65.7	99.9	161.9	-74.7	-163.5	4	0	0	106.2	Q566 G570 I572	Q566-Q568 PolarHBondContact O-N 3.03Å; Q568-G570 PolarHBondContact O-N 2.82Å; Q568-I572 HydrophobicContact CB-CD1 4.21Å
569	E	50.2	Low	77.1	Confident	198 Å²	198	68.4 Å²	68.4	93%	0.925	35%	0.354	S	S	*	.			trans	-60.1	102.3	168.5	-73.2	-174.6	166.7	0	0	108	L567	L567-E569 VanDerWaalsContact C-N 3.29Å; L567-E569 PolarHBondContact O-N 3.48Å
570	G	62.8	Low	77.2	Confident	40 Å²	40	70.7 Å²	70.7	41%	0.412	37%	0.366	S	S	.	.	S	Bend	trans	170.3	153.6	-178.9	0	0	0	0	0	114.9	R560 Q568 I572	R560-G570 PolarHBondContact NH2-O 2.9Å; Q568-G570 PolarHBondContact O-N 2.82Å; G570-I572 PolarHBondContact O-N 3.21Å; G570-I572 VanDerWaalsContact O-N 3.09Å
571	H	69.4	Low	77.3	Confident	113 Å²	113	69.5 Å²	69.5	52%	0.523	37%	0.365	S	S	.	.			trans	-71.4	96.6	166.7	-70.6	-75.2	0	0	0	109.3	E77	E77-H571 IonicContact OE1-CE1 2.76Å; E77-H571 PolarHBondContact OE1-CE1 3.32Å; E77-H571 IonicContact OE1-CG 2.67Å; E77-H571 IonicContact OE1-ND1 4Å; E77-H571 PolarHBondContact OE1-ND1 2.81Å; E77-H571 IonicContact OE2-CE1 3.22Å; E77-H571 IonicContact OE2-ND1 2.82Å
572	I	85.2	Confident	77.4	Confident	30 Å²	30	66.9 Å²	66.9	15%	0.154	35%	0.349	C	S	.	.			trans	-87.1	118.9	172.8	-58	173.9	0	0	0	107.8	S555 A556 Q568 G570 T588	S555-I572 CarbonylContact C-O 3.5Å; S555-I572 WeakPolarHBondContact CA-O 3.24Å; A556-I572 HydrophobicContact CB-CB 4.01Å; A556-I572 HydrophobicContact CB-CG2 3.88Å; A556-I572 PolarHBondContact N-O 3.16Å; Q568-I572 HydrophobicContact CB-CD1 4.21Å; G570-I572 PolarHBondContact O-N 3.21Å; G570-I572 VanDerWaalsContact O-N 3.09Å; I572-T588 HydrophobicContact CG2-CG2 3.83Å
573	L	92.3	Very high	77.7	Confident	43 Å²	43	66.3 Å²	66.3	23%	0.225	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	129.3	173.4	-174.5	69.8	0	0	0	110.1	W402 F553 V589	W402-L573 HydrophobicContact CG-CD2 4Å; W402-L573 VanDerWaalsContact NE1-CD2 3.3Å; F553-L573 HydrophobicContact CB-CD1 4.16Å; F553-L573 HydrophobicContact CD1-CD2 4.39Å; L573-V589 HydrophobicContact CD2-CG2 4.26Å; L573-V589 HydrophobicContact CG-CG2 4.22Å; L573-V589 PolarHBondContact O-N 2.82Å
574	A	95.2	Very high	78.6	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	152.4	170.9	0	0	0	0	0	111.4	F553 A554 A556 Y576 E586 F587	F553-A574 WeakPolarHBondContact CA-O 3.41Å; A554-A574 PolarHBondContact N-O 2.82Å; A554-A574 CarbonylContact O-C 3.49Å; A554-A574 WeakPolarHBondContact O-CA 3.27Å; A554-A574 PolarHBondContact O-N 3.06Å; A556-A574 HydrophobicContact CB-CB 3.76Å; A574-Y576 HydrophobicContact CB-CD2 4.3Å; A574-Y576 HydrophobicContact CB-CE2 3.69Å; A574-E586 HydrophobicContact CB-CG 3.87Å; A574-F587 CarbonylContact C-O 3.55Å; A574-F587 VanDerWaalsContact CA-O 3.31Å; A574-F587 WeakPolarHBondContact CA-O 3.44Å
575	F	97.3	Very high	80.2	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.6	170	-179.9	-110.6	0	0	0	108.3	A404 V414 V515 A551 F553 T577 F587 V589 L612	A404-F575 HydrophobicContact CB-CD2 4.44Å; A404-F575 HydrophobicContact CB-CE2 3.48Å; A404-F575 VanDerWaalsContact CB-CE2 3.48Å; A404-F575 HydrophobicContact CB-CZ 4Å; V414-F575 HydrophobicContact CG2-CD2 4.45Å; V414-F575 HydrophobicContact CG2-CE1 4.42Å; V414-F575 HydrophobicContact CG2-CE2 4.24Å; V414-F575 HydrophobicContact CG2-CZ 4.22Å; V515-F575 HydrophobicContact CB-CE1 4.35Å; V515-F575 HydrophobicContact CG2-CD1 4.18Å; V515-F575 HydrophobicContact CG2-CE1 3.89Å; A551-F575 HydrophobicContact CB-CE2 3.75Å; A551-F575 HydrophobicContact CB-CZ 3.53Å; F553-F575 HydrophobicContact CD1-CB 4.24Å; F553-F575 AromaticContact CD1-CD2 3.84Å; F553-F575 HydrophobicContact CD1-CD2 3.84Å; F553-F575 HydrophobicContact CE1-CB 4.15Å; F553-F575 AromaticContact CE1-CD2 3.51Å; F553-F575 HydrophobicContact CE1-CD2 3.51Å; F553-F575 HydrophobicContact CE1-CE2 4.32Å; F553-F575 HydrophobicContact CE1-CG 4.22Å; F553-F575 HydrophobicContact CE2-CD2 4.32Å; F553-F575 HydrophobicContact CE2-CE2 4.46Å; F553-F575 HydrophobicContact CG-CD2 4.38Å; F553-F575 AromaticContact CZ-CD2 3.77Å; F553-F575 HydrophobicContact CZ-CD2 3.77Å; F553-F575 HydrophobicContact CZ-CE2 4.12Å; F575-T577 HydrophobicContact CD1-CG2 4Å; F575-T577 HydrophobicContact CE1-CG2 3.36Å; F575-T577 HydrophobicContact CZ-CG2 3.95Å; F575-F587 HydrophobicContact CB-CB 4.35Å; F575-F587 HydrophobicContact CD1-CD2 4.1Å; F575-F587 PolarHBondContact N-O 2.89Å; F575-F587 WeakPolarHBondContact O-CD2 3.19Å; F575-F587 PolarHBondContact O-N 2.86Å; F575-V589 HydrophobicContact CB-CG2 4.45Å; F575-L612 HydrophobicContact CB-CD2 4.42Å; F575-L612 HydrophobicContact CD1-CD1 4.02Å; F575-L612 HydrophobicContact CG-CD1 4.46Å
576	Y	97.2	Very high	82.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.6	-179.2	-69.9	-90.3	0	0	0	110.5	L80 A551 T552 A554 S555 R557 A574 L584 N585 E586 W618	L80-Y576 HydrophobicContact CD1-CD1 3.85Å; L80-Y576 HydrophobicContact CD1-CD2 3.6Å; L80-Y576 HydrophobicContact CD1-CE1 3.87Å; L80-Y576 HydrophobicContact CD1-CE2 3.63Å; L80-Y576 HydrophobicContact CD1-CG 3.69Å; A551-Y576 WeakPolarHBondContact CA-O 3.18Å; T552-Y576 PolarHBondContact N-O 2.86Å; T552-Y576 PolarHBondContact O-N 3.22Å; A554-Y576 HydrophobicContact CB-CD2 4.16Å; A554-Y576 HydrophobicContact CB-CE2 3.91Å; S555-Y576 PolarHBondContact O-OH 2.92Å; R557-Y576 PolarHBondContact N-OH 2.75Å; R557-Y576 VanDerWaalsContact N-OH 3.16Å; R557-Y576 PolarHBondContact NH1-OH 3.1Å; R557-Y576 VanDerWaalsContact NH1-OH 3.16Å; A574-Y576 HydrophobicContact CB-CD2 4.3Å; A574-Y576 HydrophobicContact CB-CE2 3.69Å; Y576-L584 HydrophobicContact CD1-CD1 3.89Å; Y576-L584 HydrophobicContact CD1-CD2 4.35Å; Y576-L584 HydrophobicContact CD1-CG 4.2Å; Y576-L584 HydrophobicContact CG-CD1 4.45Å; Y576-N585 VanDerWaalsContact CA-O 3.26Å; Y576-N585 WeakPolarHBondContact CA-O 3.31Å; Y576-E586 HydrophobicContact CD1-CB 4.05Å; Y576-E586 HydrophobicContact CD1-CG 4.36Å; Y576-E586 HydrophobicContact CE1-CB 3.66Å; Y576-E586 HydrophobicContact CE1-CG 3.7Å; Y576-E586 VanDerWaalsContact CE1-OE2 3.29Å; Y576-E586 WeakPolarHBondContact CE1-OE2 3.17Å; Y576-E586 PolarHBondContact OH-OE2 2.89Å; Y576-W618 HydrophobicContact CE1-CH2 4.22Å; Y576-W618 HydrophobicContact CE1-CZ3 4.21Å
577	T	95.8	Very high	84.3	Confident	6 Å²	6	43.6 Å²	43.6	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.5	169.8	69.9	0	0	0	0	110.5	A550 A551 F575 L584 N585 F587	A550-T577 WeakPolarHBondContact O-CA 3.36Å; A551-T577 HydrophobicContact CB-CG2 4.38Å; F575-T577 HydrophobicContact CD1-CG2 4Å; F575-T577 HydrophobicContact CE1-CG2 3.36Å; F575-T577 HydrophobicContact CZ-CG2 3.95Å; T577-L584 CarbonylContact O-C 3.51Å; T577-L584 WeakPolarHBondContact O-CA 3.35Å; T577-N585 PolarHBondContact N-O 3.47Å; T577-N585 PolarHBondContact O-N 3.43Å; T577-F587 HydrophobicContact CG2-CD2 4.48Å; T577-F587 HydrophobicContact CG2-CE2 4.03Å
578	V	94.2	Very high	86.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.5	171.6	65	0	0	0	0	108.9	V54 F56 F84 Q549 A550 K583 L584	V54-V578 HydrophobicContact CB-CG1 4.07Å; V54-V578 HydrophobicContact CB-CG2 4.35Å; V54-V578 HydrophobicContact CG1-CG2 4.32Å; V54-V578 HydrophobicContact CG2-CG1 3.98Å; V54-V578 WeakPolarHBondContact CG2-O 3.3Å; F56-V578 HydrophobicContact CD2-CG1 4.36Å; F56-V578 HydrophobicContact CE2-CG1 3.72Å; F56-V578 HydrophobicContact CZ-CB 4.26Å; F56-V578 HydrophobicContact CZ-CG1 3.81Å; F84-V578 HydrophobicContact CE1-CG2 3.76Å; F84-V578 HydrophobicContact CZ-CG2 3.51Å; Q549-V578 CarbonylContact C-O 3.45Å; Q549-V578 WeakPolarHBondContact CA-O 3.06Å; Q549-V578 PolarHBondContact NE2-O 2.78Å; A550-V578 HydrophobicContact CB-CG1 3.85Å; A550-V578 PolarHBondContact N-O 2.87Å; A550-V578 PolarHBondContact O-N 2.79Å; V578-K583 WeakPolarHBondContact CA-O 3.13Å; V578-L584 HydrophobicContact CB-CD1 4.41Å
579	G	90.1	Very high	88.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	172.8	179.3	0	0	0	0	0	112.7	T548 D581 G582	T548-G579 WeakPolarHBondContact O-CA 3.02Å; G579-D581 WeakPolarHBondContact CA-OD1 3.44Å; G579-D581 PolarHBondContact N-OD1 3.39Å; G579-D581 PolarHBondContact O-N 3.4Å; G579-D581 VanDerWaalsContact O-N 3.16Å; G579-G582 PolarHBondContact O-N 2.82Å
580	I	88.3	Confident	90.2	Very high	81 Å²	81	24.6 Å²	24.6	42%	0.415	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-8.1	170	57.3	169.1	0	0	0	113.4	I51 T548 G582	I51-I580 HydrophobicContact CB-CB 4.49Å; I51-I580 HydrophobicContact CG2-CB 4.37Å; I51-I580 HydrophobicContact CG2-CG2 4.2Å; T548-I580 PolarHBondContact O-N 2.84Å; T548-I580 VanDerWaalsContact O-N 3.12Å; I580-G582 PolarHBondContact O-N 2.8Å
581	D	86.3	Confident	91.5	Very high	45 Å²	45	24.6 Å²	24.6	24%	0.241	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	0.2	165.3	69.2	-28.8	0	0	0	112.4	G579 K583 H621	G579-D581 WeakPolarHBondContact CA-OD1 3.44Å; G579-D581 PolarHBondContact N-OD1 3.39Å; G579-D581 PolarHBondContact O-N 3.4Å; G579-D581 VanDerWaalsContact O-N 3.16Å; D581-K583 PolarHBondContact O-N 3.43Å; D581-K583 PolarHBondContact OD1-N 3.16Å; D581-H621 VanDerWaalsContact C-CE1 3.48Å; D581-H621 PolarHBondContact O-CE1 2.85Å; D581-H621 PolarHBondContact O-NE2 2.83Å
582	G	89.7	Confident	92.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	69.8	14.7	174.3	0	0	0	0	0	114.2	G579 I580 L620	G579-G582 PolarHBondContact O-N 2.82Å; I580-G582 PolarHBondContact O-N 2.8Å; G582-L620 WeakPolarHBondContact O-CA 3.49Å; G582-L620 WeakPolarHBondContact O-CB 3.43Å; G582-L620 PolarHBondContact O-N 2.84Å
583	K	92.1	Very high	91.6	Very high	49 Å²	49	27 Å²	27	21%	0.213	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.6	-179.8	-64.3	175.8	-172.4	165.4	0	111	D519 V578 D581 W618	D519-K583 IonicContact OD2-NZ 3.46Å; D519-K583 PolarHBondContact OD2-NZ 3.3Å; V578-K583 WeakPolarHBondContact CA-O 3.13Å; D581-K583 PolarHBondContact O-N 3.43Å; D581-K583 PolarHBondContact OD1-N 3.16Å; K583-W618 VanDerWaalsContact CA-O 3.27Å; K583-W618 WeakPolarHBondContact CA-O 3.4Å
584	L	95.7	Very high	90.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	130.1	162.5	175.8	66	0	0	0	107.7	F56 M82 C95 Y576 T577 V578 Q617 W618 L620	F56-L584 HydrophobicContact CE1-CD1 4.31Å; F56-L584 HydrophobicContact CZ-CD1 4.07Å; M82-L584 HydrophobicContact CE-CD2 3.89Å; M82-L584 HydrophobicContact SD-CB 4.22Å; M82-L584 HydrophobicContact SD-CD1 3.76Å; M82-L584 HydrophobicContact SD-CD2 3.84Å; M82-L584 HydrophobicContact SD-CG 4.15Å; C95-L584 HydrophobicContact CB-CD2 4.21Å; Y576-L584 HydrophobicContact CD1-CD1 3.89Å; Y576-L584 HydrophobicContact CD1-CD2 4.35Å; Y576-L584 HydrophobicContact CD1-CG 4.2Å; Y576-L584 HydrophobicContact CG-CD1 4.45Å; T577-L584 CarbonylContact O-C 3.51Å; T577-L584 WeakPolarHBondContact O-CA 3.35Å; V578-L584 HydrophobicContact CB-CD1 4.41Å; L584-Q617 CarbonylContact O-C 3.53Å; L584-Q617 WeakPolarHBondContact O-CA 3.37Å; L584-W618 HydrophobicContact CB-CB 4.27Å; L584-W618 HydrophobicContact CB-CE3 4Å; L584-W618 HydrophobicContact CD2-CD2 4.08Å; L584-W618 HydrophobicContact CD2-CE3 3.65Å; L584-W618 HydrophobicContact CD2-CZ3 4.03Å; L584-W618 HydrophobicContact CG-CE3 3.72Å; L584-W618 HydrophobicContact CG-CZ3 4.12Å; L584-W618 PolarHBondContact N-O 3.07Å; L584-W618 PolarHBondContact O-N 3.04Å; L584-L620 HydrophobicContact CB-CD1 4.17Å
585	N	95.1	Very high	88.4	Confident	8 Å²	8	31.4 Å²	31.4	4%	0.043	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.6	177.5	-56.7	-76.6	0	0	0	109.9	Y576 T577 F587	Y576-N585 VanDerWaalsContact CA-O 3.26Å; Y576-N585 WeakPolarHBondContact CA-O 3.31Å; T577-N585 PolarHBondContact N-O 3.47Å; T577-N585 PolarHBondContact O-N 3.43Å; N585-F587 HydrophobicContact CB-CE2 3.68Å; N585-F587 HydrophobicContact CB-CZ 4.08Å
586	E	95.7	Very high	86.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127	175.2	-177.8	177.4	113.7	0	0	110.6	R557 G558 I559 A574 Y576 T615 A616 W618	R557-E586 PolarHBondContact N-OE1 3.08Å; R557-E586 PolarHBondContact N-OE2 2.89Å; G558-E586 VanDerWaalsContact N-CD 3.33Å; G558-E586 PolarHBondContact N-OE1 3.23Å; G558-E586 VanDerWaalsContact N-OE1 3.14Å; G558-E586 PolarHBondContact N-OE2 3.49Å; I559-E586 PolarHBondContact N-OE1 3.2Å; A574-E586 HydrophobicContact CB-CG 3.87Å; Y576-E586 HydrophobicContact CD1-CB 4.05Å; Y576-E586 HydrophobicContact CD1-CG 4.36Å; Y576-E586 HydrophobicContact CE1-CB 3.66Å; Y576-E586 HydrophobicContact CE1-CG 3.7Å; Y576-E586 VanDerWaalsContact CE1-OE2 3.29Å; Y576-E586 WeakPolarHBondContact CE1-OE2 3.17Å; Y576-E586 PolarHBondContact OH-OE2 2.89Å; E586-T615 WeakPolarHBondContact CG-OG1 3.34Å; E586-T615 PolarHBondContact O-N 3.41Å; E586-T615 PolarHBondContact O-OG1 2.98Å; E586-T615 PolarHBondContact OE1-OG1 2.95Å; E586-A616 HydrophobicContact CB-CB 4.24Å; E586-A616 PolarHBondContact N-O 3.24Å; E586-W618 HydrophobicContact CB-CH2 4.04Å; E586-W618 HydrophobicContact CB-CZ3 3.79Å
587	F	94.9	Very high	83.6	Confident	21 Å²	21	44.1 Å²	44.1	9%	0.092	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.6	173.3	-56.1	-94.9	0	0	0	110	V515 A574 F575 T577 N585 L612 S613 P614	V515-F587 HydrophobicContact CG1-CE1 4.31Å; V515-F587 HydrophobicContact CG1-CE2 4.17Å; V515-F587 HydrophobicContact CG1-CZ 3.9Å; A574-F587 CarbonylContact C-O 3.55Å; A574-F587 VanDerWaalsContact CA-O 3.31Å; A574-F587 WeakPolarHBondContact CA-O 3.44Å; F575-F587 HydrophobicContact CB-CB 4.35Å; F575-F587 HydrophobicContact CD1-CD2 4.1Å; F575-F587 PolarHBondContact N-O 2.89Å; F575-F587 WeakPolarHBondContact O-CD2 3.19Å; F575-F587 PolarHBondContact O-N 2.86Å; T577-F587 HydrophobicContact CG2-CD2 4.48Å; T577-F587 HydrophobicContact CG2-CE2 4.03Å; N585-F587 HydrophobicContact CB-CE2 3.68Å; N585-F587 HydrophobicContact CB-CZ 4.08Å; F587-L612 HydrophobicContact CB-CB 4.1Å; F587-S613 CarbonylContact C-O 3.48Å; F587-S613 VanDerWaalsContact CA-O 3.3Å; F587-S613 WeakPolarHBondContact CA-O 3.35Å; F587-P614 HydrophobicContact CD1-CB 3.87Å; F587-P614 HydrophobicContact CE1-CB 3.8Å
588	T	92.9	Very high	80.9	Confident	7 Å²	7	45.9 Å²	45.9	4%	0.043	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.8	173.1	-58.3	0	0	0	0	110.2	I572 N590 L612 S613 T615	I572-T588 HydrophobicContact CG2-CG2 3.83Å; T588-N590 PolarHBondContact O-N 2.92Å; T588-L612 WeakPolarHBondContact O-CA 3.04Å; T588-S613 PolarHBondContact N-O 3.13Å; T588-S613 PolarHBondContact O-N 2.86Å; T588-S613 VanDerWaalsContact O-N 3.13Å; T588-T615 WeakPolarHBondContact OG1-CG2 3.29Å
589	V	93	Very high	78.6	Confident	19 Å²	19	52.5 Å²	52.5	12%	0.115	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	107.4	177.4	-171.5	0	0	0	0	109.5	W402 L573 F575 V610 L612	W402-V589 HydrophobicContact CH2-CG1 3.72Å; W402-V589 HydrophobicContact CZ2-CG1 3.66Å; W402-V589 HydrophobicContact CZ3-CG1 4.26Å; L573-V589 HydrophobicContact CD2-CG2 4.26Å; L573-V589 HydrophobicContact CG-CG2 4.22Å; L573-V589 PolarHBondContact O-N 2.82Å; F575-V589 HydrophobicContact CB-CG2 4.45Å; V589-V610 HydrophobicContact CG1-CG1 3.99Å; V589-L612 HydrophobicContact CB-CD2 4.1Å; V589-L612 HydrophobicContact CG1-CD2 4.19Å; V589-L612 HydrophobicContact CG2-CD2 3.69Å
590	N	90.5	Very high	76	Confident	55 Å²	55	62.7 Å²	62.7	29%	0.294	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127	178.1	-62.2	-59.2	0	0	0	110.8	T588 V610 S611 S613	T588-N590 PolarHBondContact O-N 2.92Å; N590-V610 WeakPolarHBondContact O-CA 2.9Å; N590-S611 PolarHBondContact N-O 2.87Å; N590-S611 PolarHBondContact O-N 3.37Å; N590-S613 PolarHBondContact ND2-OG 3.41Å
591	V	90.1	Very high	73.7	Confident	40 Å²	40	61 Å²	61	24%	0.242	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.9	179	174.1	0	0	0	0	109.7	W402 H429 L608	W402-V591 HydrophobicContact CH2-CG2 4.03Å; W402-V591 HydrophobicContact CZ2-CG2 4Å; H429-V591 HydrophobicContact CB-CG1 4.49Å; H429-V591 HydrophobicContact CB-CG2 4.41Å; V591-L608 HydrophobicContact CG1-CD1 3.34Å; V591-L608 HydrophobicContact CG1-CG 4.44Å
592	K	84.6	Confident	71.3	Confident	129 Å²	129	64.1 Å²	64.1	56%	0.561	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.5	176.9	-66.2	-177.7	-179	177.1	0	111	E609	K592-E609 HydrophobicContact CB-CB 4.45Å; K592-E609 PolarHBondContact N-O 3.37Å; K592-E609 PolarHBondContact O-N 2.74Å
593	D	71.8	Confident	69	Low	64 Å²	64	69.9 Å²	69.9	34%	0.342	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	134.7	169.6	-81.9	-42.9	0	0	0	110.9	K426 A595	K426-D593 VanDerWaalsContact CB-OD1 3.31Å; K426-D593 WeakPolarHBondContact CB-OD1 3.28Å; K426-D593 HydrophobicContact CD-CB 4.48Å; K426-D593 WeakPolarHBondContact CD-OD1 3.27Å; K426-D593 WeakPolarHBondContact CD-OD2 3.19Å; K426-D593 WeakPolarHBondContact CE-OD2 3.01Å; K426-D593 IonicContact NZ-OD2 2.7Å; K426-D593 PolarHBondContact NZ-OD2 2.9Å; D593-A595 PolarHBondContact O-N 3.33Å; D593-A595 VanDerWaalsContact O-N 3.15Å
594	V	65	Low	66.4	Low	56 Å²	56	70 Å²	70	34%	0.339	43%	0.428	S	S	.	.			trans	-78.3	94	157.4	-175.6	0	0	0	0	107.7	K596 A607 E609	V594-K596 PolarHBondContact O-N 3.27Å; V594-A607 HydrophobicContact CB-CB 4.3Å; V594-A607 HydrophobicContact CG2-CB 4.25Å; V594-A607 WeakPolarHBondContact CG2-O 3.41Å; V594-A607 PolarHBondContact N-O 3.03Å; V594-E609 HydrophobicContact CG2-CB 3.78Å
595	A	57.2	Low	64.1	Low	80 Å²	80	73.2 Å²	73.2	66%	0.661	45%	0.454	S	S	*	.			trans	-60.3	99.5	167.5	0	0	0	0	0	108.5	D593 V597	D593-A595 PolarHBondContact O-N 3.33Å; D593-A595 VanDerWaalsContact O-N 3.15Å; A595-V597 PolarHBondContact O-N 3.38Å
596	K	52.1	Low	61.9	Low	115 Å²	115	75.5 Å²	75.5	50%	0.5	47%	0.47	S	S	.	.			trans	-64	102	166.7	-80.2	179.7	-178.4	164.8	0	107.1	V594 G598 A601	V594-K596 PolarHBondContact O-N 3.27Å; K596-G598 VanDerWaalsContact C-N 3.32Å; K596-G598 PolarHBondContact O-N 3.28Å; K596-A601 HydrophobicContact CD-CB 4.28Å
597	V	40.3	Very low	60.5	Low	152 Å²	152	77.8 Å²	77.8	92%	0.921	49%	0.489	S	S	*	.			trans	-61.4	94.9	167.8	-179.1	0	0	0	0	107.6	A595	A595-V597 PolarHBondContact O-N 3.38Å
598	G	40.3	Very low	59.9	Low	42 Å²	42	78 Å²	78	43%	0.433	49%	0.491	S	S	.	.			trans	167.5	114.9	178.6	0	0	0	0	0	114.3	K596 K600	K596-G598 VanDerWaalsContact C-N 3.32Å; K596-G598 PolarHBondContact O-N 3.28Å; G598-K600 PolarHBondContact O-N 2.96Å
599	P	45.9	Very low	59.6	Low	139 Å²	139	82.5 Å²	82.5	90%	0.903	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	2.4	-178	-19.1	30.5	0	0	0	116.5
600	K	34.2	Very low	59.5	Low	215 Å²	215	82.2 Å²	82.2	94%	0.935	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	15.3	-173	-80.7	-171.6	175.2	179.6	0	115.3	G598	G598-K600 PolarHBondContact O-N 2.96Å
601	A	39.5	Very low	59.6	Low	44 Å²	44	81.7 Å²	81.7	36%	0.364	51%	0.511	S	S	.	.			trans	-124.5	32.1	-177.8	0	0	0	0	0	114.3	K596 S603	K596-A601 HydrophobicContact CD-CB 4.28Å; A601-S603 PolarHBondContact O-N 2.74Å
602	A	37.3	Very low	59.7	Low	112 Å²	112	81 Å²	81	93%	0.926	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	8.1	179.5	0	0	0	0	0	115.1
603	S	40.4	Very low	60	Low	120 Å²	120	76.8 Å²	76.8	84%	0.839	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	18.8	-178	76.4	0	0	0	0	114.6	A601	A601-S603 PolarHBondContact O-N 2.74Å
604	A	38	Very low	60.9	Low	52 Å²	52	75.8 Å²	75.8	43%	0.43	49%	0.489	S	S	.	.	S	Bend	trans	-136.3	113.8	-177.6	0	0	0	0	0	110.8	C606	A604-C606 PolarHBondContact O-N 3.26Å
605	A	47.3	Very low	62.1	Low	67 Å²	67	74.4 Å²	74.4	55%	0.554	48%	0.481	S	S	*	.			trans	-15.2	111.9	169.3	0	0	0	0	0	112.6	A607	A605-A607 PolarHBondContact O-N 3.47Å; A605-A607 VanDerWaalsContact O-N 3.11Å
606	C	49	Very low	63.9	Low	56 Å²	56	70.6 Å²	70.6	38%	0.378	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-53.6	120.4	176.6	-151.1	0	0	0	0	107.9	A604 L608	A604-C606 PolarHBondContact O-N 3.26Å; C606-L608 PolarHBondContact O-N 2.9Å
607	A	66.2	Low	65.9	Low	49 Å²	49	65.8 Å²	65.8	41%	0.405	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-65.8	129.4	-177.9	0	0	0	0	0	108.6	V594 A605 E609	V594-A607 HydrophobicContact CB-CB 4.3Å; V594-A607 HydrophobicContact CG2-CB 4.25Å; V594-A607 WeakPolarHBondContact CG2-O 3.41Å; V594-A607 PolarHBondContact N-O 3.03Å; A605-A607 PolarHBondContact O-N 3.47Å; A605-A607 VanDerWaalsContact O-N 3.11Å; A607-E609 PolarHBondContact O-N 3.31Å
608	L	81.8	Confident	68.5	Low	25 Å²	25	58.6 Å²	58.6	13%	0.131	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	116.7	180	-175.7	75.8	0	0	0	109.4	A416 V424 H429 V591 C606 V610	A416-L608 HydrophobicContact CB-CD2 3.73Å; V424-L608 HydrophobicContact CG2-CD2 4.48Å; H429-L608 HydrophobicContact CB-CD1 3.9Å; H429-L608 HydrophobicContact CB-CD2 4.01Å; V591-L608 HydrophobicContact CG1-CD1 3.34Å; V591-L608 HydrophobicContact CG1-CG 4.44Å; C606-L608 PolarHBondContact O-N 2.9Å; L608-V610 HydrophobicContact CD2-CG2 3.59Å; L608-V610 HydrophobicContact CG-CG2 3.66Å
609	E	86.4	Confident	71	Confident	102 Å²	102	58.6 Å²	58.6	48%	0.477	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.9	167.8	-171.7	175.3	-178.9	0	0	108.8	K592 V594 A607	K592-E609 HydrophobicContact CB-CB 4.45Å; K592-E609 PolarHBondContact N-O 3.37Å; K592-E609 PolarHBondContact O-N 2.74Å; V594-E609 HydrophobicContact CG2-CB 3.78Å; A607-E609 PolarHBondContact O-N 3.31Å
610	V	91.8	Very high	73.3	Confident	12 Å²	12	52 Å²	52	7%	0.073	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.5	177.1	-173	0	0	0	0	107.9	W402 V512 V513 V589 N590 L608	W402-V610 HydrophobicContact CH2-CB 4.29Å; W402-V610 HydrophobicContact CH2-CG1 3.61Å; W402-V610 HydrophobicContact CH2-CG2 3.66Å; W402-V610 HydrophobicContact CZ3-CB 4.38Å; W402-V610 HydrophobicContact CZ3-CG1 3.73Å; W402-V610 HydrophobicContact CZ3-CG2 3.92Å; V512-V610 HydrophobicContact CB-CB 3.98Å; V512-V610 HydrophobicContact CB-CG2 4.02Å; V512-V610 HydrophobicContact CG1-CG2 4.33Å; V512-V610 HydrophobicContact CG2-CB 3.84Å; V512-V610 HydrophobicContact CG2-CG1 4.18Å; V512-V610 HydrophobicContact CG2-CG2 3.93Å; V513-V610 HydrophobicContact CG2-CB 4.09Å; V513-V610 HydrophobicContact CG2-CG1 4Å; V513-V610 WeakPolarHBondContact CG2-O 3.33Å; V589-V610 HydrophobicContact CG1-CG1 3.99Å; N590-V610 WeakPolarHBondContact O-CA 2.9Å; L608-V610 HydrophobicContact CD2-CG2 3.59Å; L608-V610 HydrophobicContact CG-CG2 3.66Å
611	S	91.7	Very high	75.7	Confident	44 Å²	44	44.5 Å²	44.5	31%	0.308	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.8	171.9	57.5	0	0	0	0	109.6	N590	N590-S611 PolarHBondContact N-O 2.87Å; N590-S611 PolarHBondContact O-N 3.37Å
612	L	93	Very high	77.8	Confident	25 Å²	25	42.4 Å²	42.4	13%	0.131	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112.1	173.3	-66.3	-178.5	0	0	0	107.7	V414 V513 V515 F575 F587 T588 V589	V414-L612 HydrophobicContact CG2-CD1 4Å; V513-L612 HydrophobicContact CB-CD1 4Å; V513-L612 HydrophobicContact CB-CG 4.05Å; V513-L612 HydrophobicContact CG1-CB 4.03Å; V513-L612 HydrophobicContact CG1-CD1 3.64Å; V513-L612 HydrophobicContact CG1-CG 3.71Å; V513-L612 HydrophobicContact CG2-CG 4.11Å; V515-L612 HydrophobicContact CG2-CD1 3.38Å; F575-L612 HydrophobicContact CB-CD2 4.42Å; F575-L612 HydrophobicContact CD1-CD1 4.02Å; F575-L612 HydrophobicContact CG-CD1 4.46Å; F587-L612 HydrophobicContact CB-CB 4.1Å; T588-L612 WeakPolarHBondContact O-CA 3.04Å; V589-L612 HydrophobicContact CB-CD2 4.1Å; V589-L612 HydrophobicContact CG1-CD2 4.19Å; V589-L612 HydrophobicContact CG2-CD2 3.69Å
613	S	90.1	Very high	79.9	Confident	41 Å²	41	38 Å²	38	29%	0.287	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.5	175.4	56.5	0	0	0	0	109.3	F587 T588 N590 T615	F587-S613 CarbonylContact C-O 3.48Å; F587-S613 VanDerWaalsContact CA-O 3.3Å; F587-S613 WeakPolarHBondContact CA-O 3.35Å; T588-S613 PolarHBondContact N-O 3.13Å; T588-S613 PolarHBondContact O-N 2.86Å; T588-S613 VanDerWaalsContact O-N 3.13Å; N590-S613 PolarHBondContact ND2-OG 3.41Å; S613-T615 PolarHBondContact O-N 3.33Å
614	P	91.8	Very high	81.6	Confident	44 Å²	44	38.8 Å²	38.8	29%	0.286	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	137.5	172.4	28.9	-33.6	0	0	0	109.6	H20 F587	H20-P614 HydrophobicContact CB-CB 4.01Å; H20-P614 VanDerWaalsContact CG-CB 3.5Å; F587-P614 HydrophobicContact CD1-CB 3.87Å; F587-P614 HydrophobicContact CE1-CB 3.8Å
615	T	90.8	Very high	83.6	Confident	27 Å²	27	40.5 Å²	40.5	17%	0.166	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	-52.8	-173.4	49.9	0	0	0	0	112.5	H20 I559 E586 T588 S613	H20-T615 PolarHBondContact N-O 3.39Å; I559-T615 HydrophobicContact CB-CG2 4.46Å; I559-T615 HydrophobicContact CD1-CG2 4.26Å; E586-T615 WeakPolarHBondContact CG-OG1 3.34Å; E586-T615 PolarHBondContact O-N 3.41Å; E586-T615 PolarHBondContact O-OG1 2.98Å; E586-T615 PolarHBondContact OE1-OG1 2.95Å; T588-T615 WeakPolarHBondContact OG1-CG2 3.29Å; S613-T615 PolarHBondContact O-N 3.33Å
616	A	93.5	Very high	85.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.8	-178	0	0	0	0	0	111.9	P17 E18 L562 E586 W618	P17-A616 HydrophobicContact CB-CB 4.2Å; E18-A616 CarbonylContact O-C 3.52Å; E18-A616 VanDerWaalsContact O-CA 3.32Å; E18-A616 WeakPolarHBondContact O-CA 3.48Å; L562-A616 HydrophobicContact CD1-CB 3.84Å; E586-A616 HydrophobicContact CB-CB 4.24Å; E586-A616 PolarHBondContact N-O 3.24Å; A616-W618 HydrophobicContact CB-CH2 3.8Å; A616-W618 HydrophobicContact CB-CZ2 4.42Å; A616-W618 HydrophobicContact CB-CZ3 3.98Å
617	Q	94.5	Very high	87.2	Confident	14 Å²	14	40.5 Å²	40.5	7%	0.065	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.9	173.5	64.9	-178.5	-3.2	0	0	111	E18 P19 L584	E18-Q617 HydrophobicContact CB-CG 4.09Å; E18-Q617 PolarHBondContact N-O 3.37Å; E18-Q617 PolarHBondContact O-N 3.4Å; P19-Q617 PolarHBondContact O-NE2 3.06Å; L584-Q617 CarbonylContact O-C 3.53Å; L584-Q617 WeakPolarHBondContact O-CA 3.37Å
618	W	95.4	Very high	88.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.9	173.2	-59.7	-106.2	0	0	0	109.8	V15 P17 G99 C101 Y576 K583 L584 E586 A616 L620	V15-W618 HydrophobicContact CG1-CB 4.28Å; P17-W618 HydrophobicContact CB-CD2 4.46Å; P17-W618 HydrophobicContact CB-CH2 4.47Å; P17-W618 HydrophobicContact CB-CZ2 3.65Å; P17-W618 HydrophobicContact CG-CZ2 4.43Å; G99-W618 PolarHBondContact O-NE1 3.45Å; C101-W618 HydrophobicContact CB-CG 4.44Å; C101-W618 VanDerWaalsContact SG-CG 3.58Å; Y576-W618 HydrophobicContact CE1-CH2 4.22Å; Y576-W618 HydrophobicContact CE1-CZ3 4.21Å; K583-W618 VanDerWaalsContact CA-O 3.27Å; K583-W618 WeakPolarHBondContact CA-O 3.4Å; L584-W618 HydrophobicContact CB-CB 4.27Å; L584-W618 HydrophobicContact CB-CE3 4Å; L584-W618 HydrophobicContact CD2-CD2 4.08Å; L584-W618 HydrophobicContact CD2-CE3 3.65Å; L584-W618 HydrophobicContact CD2-CZ3 4.03Å; L584-W618 HydrophobicContact CG-CE3 3.72Å; L584-W618 HydrophobicContact CG-CZ3 4.12Å; L584-W618 PolarHBondContact N-O 3.07Å; L584-W618 PolarHBondContact O-N 3.04Å; E586-W618 HydrophobicContact CB-CH2 4.04Å; E586-W618 HydrophobicContact CB-CZ3 3.79Å; A616-W618 HydrophobicContact CB-CH2 3.8Å; A616-W618 HydrophobicContact CB-CZ2 4.42Å; A616-W618 HydrophobicContact CB-CZ3 3.98Å; W618-L620 HydrophobicContact CB-CD2 3.95Å; W618-L620 HydrophobicContact CB-CG 4.24Å; W618-L620 PolarHBondContact O-N 3.35Å
619	S	93.2	Very high	88.7	Confident	42 Å²	42	40.6 Å²	40.6	29%	0.294	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	95.9	178.3	-66.9	0	0	0	0	111.1	H621	S619-H621 PolarHBondContact O-N 3.18Å
620	L	92.8	Very high	89	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.231	C	C	.	.			trans	-95.4	26	-171.5	-53.2	-177.5	0	0	0	113.8	R13 V15 M82 F84 W93 C101 G582 L584 W618	R13-L620 VanDerWaalsContact NH2-C 3.3Å; R13-L620 PolarHBondContact NH2-O 3.24Å; V15-L620 HydrophobicContact CB-CD2 4.06Å; V15-L620 HydrophobicContact CG1-CD2 4.26Å; V15-L620 HydrophobicContact CG2-CD2 4.14Å; M82-L620 HydrophobicContact CE-CD1 3.69Å; M82-L620 HydrophobicContact SD-CD1 4.06Å; F84-L620 HydrophobicContact CE2-CD1 4.14Å; F84-L620 HydrophobicContact CZ-CB 4.12Å; F84-L620 HydrophobicContact CZ-CD1 3.86Å; W93-L620 HydrophobicContact CB-CD1 4.45Å; W93-L620 HydrophobicContact CD2-CB 4.44Å; W93-L620 HydrophobicContact CD2-CD1 4.32Å; W93-L620 HydrophobicContact CD2-CD2 4.12Å; W93-L620 HydrophobicContact CE3-CD2 3.84Å; W93-L620 HydrophobicContact CG-CD1 4.22Å; W93-L620 HydrophobicContact CH2-CD2 4.43Å; W93-L620 HydrophobicContact CZ3-CD2 3.99Å; C101-L620 HydrophobicContact CB-CD2 3.76Å; G582-L620 WeakPolarHBondContact O-CA 3.49Å; G582-L620 WeakPolarHBondContact O-CB 3.43Å; G582-L620 PolarHBondContact O-N 2.84Å; L584-L620 HydrophobicContact CB-CD1 4.17Å; W618-L620 HydrophobicContact CB-CD2 3.95Å; W618-L620 HydrophobicContact CB-CG 4.24Å; W618-L620 PolarHBondContact O-N 3.35Å
621	H	86.2	Confident	89	Confident	59 Å²	59	40.6 Å²	40.6	27%	0.273	24%	0.236	S	C	.	.			trans	-67.4	144.1	179.7	-73	-70	0	0	0	113.7	R13 A48 D581 S619	R13-H621 PolarHBondContact NH1-O 3.06Å; R13-H621 PolarHBondContact NH2-O 2.85Å; A48-H621 HydrophobicContact CB-CB 4.39Å; D581-H621 VanDerWaalsContact C-CE1 3.48Å; D581-H621 PolarHBondContact O-CE1 2.85Å; D581-H621 PolarHBondContact O-NE2 2.83Å; S619-H621 PolarHBondContact O-N 3.18Å
622	R	83.5	Confident	89.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.249	C	C	.	.			trans	-95.9	142.6	167.8	-161	179.3	-175.4	-152.2	11.2	111.5	A48 E49 L86 Q91 S106 R108 N626 C628	A48-R622 CarbonylContact C-O 3.55Å; A48-R622 VanDerWaalsContact CA-O 3.28Å; A48-R622 WeakPolarHBondContact CA-O 3.35Å; E49-R622 HydrophobicContact CB-CB 4.41Å; E49-R622 PolarHBondContact N-O 2.78Å; E49-R622 IonicContact OE1-NH1 2.92Å; E49-R622 WeakPolarHBondContact OE2-CD 3.42Å; E49-R622 IonicContact OE2-CZ 2.89Å; E49-R622 IonicContact OE2-NE 2.81Å; E49-R622 IonicContact OE2-NH1 3.82Å; E49-R622 PolarHBondContact OE2-NH1 2.93Å; L86-R622 HydrophobicContact CD1-CB 4.36Å; Q91-R622 VanDerWaalsContact NE2-CD 3.3Å; Q91-R622 VanDerWaalsContact NE2-CG 3.33Å; S106-R622 PolarHBondContact OG-NE 2.81Å; S106-R622 VanDerWaalsContact OG-NE 3.1Å; S106-R622 PolarHBondContact OG-NH2 3.26Å; R108-R622 VanDerWaalsContact CZ-CZ 3.43Å; R108-R622 VanDerWaalsContact NE-CZ 3.28Å; R108-R622 VanDerWaalsContact NE-NH1 3.12Å; R622-N626 HydrophobicContact CG-CB 4.15Å; R622-C628 PolarHBondContact NH2-SG 3.01Å
623	T	81.1	Confident	89.1	Confident	19 Å²	19	42.3 Å²	42.3	12%	0.117	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-115.5	157.2	170.1	60.2	0	0	0	0	110	K46 R108 S625 N626	K46-T623 HydrophobicContact CB-CG2 3.8Å; K46-T623 HydrophobicContact CD-CG2 4.28Å; R108-T623 PolarHBondContact NH2-O 3.33Å; T623-S625 PolarHBondContact O-N 3.31Å; T623-S625 PolarHBondContact OG1-OG 2.96Å; T623-N626 PolarHBondContact N-ND2 3.44Å; T623-N626 WeakPolarHBondContact O-CB 2.99Å; T623-N626 PolarHBondContact O-N 3.35Å; T623-N626 PolarHBondContact OG1-OD1 2.89Å; T623-N626 VanDerWaalsContact OG1-OD1 3.04Å
624	K	76.2	Confident	89.1	Confident	137 Å²	137	45.1 Å²	45.1	60%	0.596	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-26	178	-69	175.3	176.7	168.2	0	113.7	E47 R108	E47-K624 IonicContact OE2-NZ 3.69Å; E47-K624 PolarHBondContact OE2-NZ 3.46Å; R108-K624 PolarHBondContact NH2-O 3.26Å
625	S	79	Confident	89	Confident	88 Å²	88	46.7 Å²	46.7	62%	0.615	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-16.7	177.3	59.7	0	0	0	0	115	T623	T623-S625 PolarHBondContact O-N 3.31Å; T623-S625 PolarHBondContact OG1-OG 2.96Å
626	N	85.5	Confident	88.9	Confident	24 Å²	24	47.5 Å²	47.5	13%	0.128	28%	0.278	C	S	.	.	S	Bend	trans	-73.6	138.5	-176.1	-66.6	-9.5	0	0	0	110.3	R13 R108 R622 T623	R13-N626 PolarHBondContact NH1-ND2 3.22Å; R108-N626 PolarHBondContact NH1-O 3.5Å; R108-N626 PolarHBondContact NH2-O 2.7Å; R622-N626 HydrophobicContact CG-CB 4.15Å; T623-N626 PolarHBondContact N-ND2 3.44Å; T623-N626 WeakPolarHBondContact O-CB 2.99Å; T623-N626 PolarHBondContact O-N 3.35Å; T623-N626 PolarHBondContact OG1-OD1 2.89Å; T623-N626 VanDerWaalsContact OG1-OD1 3.04Å
627	P	86.6	Confident	88.8	Confident	98 Å²	98	47.8 Å²	47.8	64%	0.636	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-66.1	160.8	175.1	28.9	-34.2	0	0	0	111.6
628	C	88.5	Confident	88.7	Confident	47 Å²	47	47.3 Å²	47.3	32%	0.318	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-89.9	148.7	168.7	-63.7	0	0	0	0	109.8	S106 R622 E630	S106-C628 CarbonylContact O-C 3.58Å; S106-C628 VanDerWaalsContact O-CA 3.28Å; S106-C628 WeakPolarHBondContact O-CA 3.44Å; S106-C628 WeakPolarHBondContact O-CB 3.4Å; R622-C628 PolarHBondContact NH2-SG 3.01Å; C628-E630 HydrophobicContact CB-CG 3.64Å; C628-E630 WeakPolarHBondContact CB-OE1 3.17Å
629	I	91.8	Very high	88.5	Confident	30 Å²	30	48 Å²	48	15%	0.154	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-117.1	103.4	164.6	-61.3	168.3	0	0	0	105.7	G12 E103 L105 S106 L633	G12-I629 VanDerWaalsContact N-CD1 3.34Å; E103-I629 HydrophobicContact CG-CD1 4.3Å; L105-I629 WeakPolarHBondContact CD1-O 3.49Å; S106-I629 CarbonylContact C-O 3.58Å; S106-I629 PolarHBondContact N-O 3.24Å; S106-I629 CarbonylContact O-C 3.52Å; S106-I629 PolarHBondContact O-N 3.03Å; I629-L633 HydrophobicContact CG2-CD2 3.78Å
630	E	91.8	Very high	88.6	Confident	87 Å²	87	46.1 Å²	46.1	41%	0.407	27%	0.268	S	S	.	.			trans	-117.3	150.8	-174.5	-48.8	-169	158.1	0	0	108.9	I107 R108 C628	I107-E630 WeakPolarHBondContact CA-OE1 3.49Å; I107-E630 HydrophobicContact CB-CG 4.46Å; I107-E630 HydrophobicContact CG1-CB 4.43Å; I107-E630 HydrophobicContact CG1-CG 4.1Å; I107-E630 HydrophobicContact CG2-CG 4.5Å; R108-E630 PolarHBondContact N-OE1 2.93Å; R108-E630 VanDerWaalsContact N-OE1 3.15Å; C628-E630 HydrophobicContact CB-CG 3.64Å; C628-E630 WeakPolarHBondContact CB-OE1 3.17Å
631	P	92.4	Very high	88.6	Confident	26 Å²	26	48.2 Å²	48.2	17%	0.169	28%	0.279	C	S	.	.	S	Bend	trans	-61.5	152.4	170.4	-23.6	38.9	0	0	0	111.2	L105 L159	L105-P631 HydrophobicContact CD1-CG 4.17Å; L159-P631 HydrophobicContact CD2-CG 3.65Å
632	P	93.8	Very high	88.8	Confident	90 Å²	90	45.6 Å²	45.6	58%	0.584	27%	0.267	S	S	*	.	S	Bend	cis	-72.9	132	1.6	29.5	-34.8	0	0	0	112.6	K160	K160-P632 WeakPolarHBondContact O-CB 3.28Å
633	L	93	Very high	89.3	Confident	16 Å²	16	45.8 Å²	45.8	8%	0.084	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-78.2	140.2	176.9	-57.4	-179.3	0	0	0	110.6	L105 L159 I629 H637 I640	L105-L633 HydrophobicContact CD1-CD1 4.43Å; L105-L633 HydrophobicContact CD1-CD2 3.92Å; L159-L633 HydrophobicContact CB-CD1 3.92Å; L159-L633 HydrophobicContact CB-CG 4.4Å; L159-L633 HydrophobicContact CD1-CD1 4.31Å; L159-L633 HydrophobicContact CG-CD1 4.49Å; L159-L633 WeakPolarHBondContact O-CG 3.03Å; L159-L633 PolarHBondContact O-N 3.48Å; I629-L633 HydrophobicContact CG2-CD2 3.78Å; L633-H637 HydrophobicContact CB-CB 4.15Å; L633-I640 HydrophobicContact CB-CD1 4.19Å; L633-I640 HydrophobicContact CB-CG1 3.85Å
634	E	90.5	Very high	89.8	Confident	100 Å²	100	47.1 Å²	47.1	47%	0.467	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-62.6	152.8	175.5	-65.8	-176.8	-177.1	0	0	111.2	K10 S636 H637	K10-E634 IonicContact NZ-OE1 3.36Å; K10-E634 PolarHBondContact NZ-OE1 3.33Å; K10-E634 IonicContact NZ-OE2 2.67Å; K10-E634 PolarHBondContact NZ-OE2 3.28Å; E634-S636 WeakPolarHBondContact CB-OG 3.31Å; E634-S636 PolarHBondContact O-N 3.48Å; E634-S636 VanDerWaalsContact O-N 3.15Å; E634-S636 PolarHBondContact OE2-OG 2.92Å; E634-H637 WeakPolarHBondContact O-CB 3.44Å; E634-H637 PolarHBondContact O-N 2.93Å
635	A	89.5	Confident	90.5	Very high	76 Å²	76	41.1 Å²	41.1	63%	0.628	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.7	177.6	0	0	0	0	0	113.7	H637 I641	A635-H637 PolarHBondContact O-N 3.03Å; A635-I641 WeakPolarHBondContact O-CG1 2.86Å
636	S	88.8	Confident	91	Very high	44 Å²	44	37 Å²	37	31%	0.308	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-9.6	173.6	55.3	0	0	0	0	113.4	S9 E634 I641	S9-S636 WeakPolarHBondContact CB-O 3.37Å; S9-S636 PolarHBondContact OG-O 3.14Å; E634-S636 WeakPolarHBondContact CB-OG 3.31Å; E634-S636 PolarHBondContact O-N 3.48Å; E634-S636 VanDerWaalsContact O-N 3.15Å; E634-S636 PolarHBondContact OE2-OG 2.92Å; S636-I641 VanDerWaalsContact O-CD1 3.29Å; S636-I641 WeakPolarHBondContact O-CD1 3.45Å
637	H	91.8	Very high	91.1	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.028	22%	0.217	C	C	.	.	S	Bend	trans	-73.3	136	-176.6	-168.4	-86	0	0	0	111.4	L104 L633 E634 A635 I639 I640 I641	L104-H637 PolarHBondContact O-CE1 2.87Å; L104-H637 PolarHBondContact O-NE2 2.98Å; L633-H637 HydrophobicContact CB-CB 4.15Å; E634-H637 WeakPolarHBondContact O-CB 3.44Å; E634-H637 PolarHBondContact O-N 2.93Å; A635-H637 PolarHBondContact O-N 3.03Å; H637-I639 VanDerWaalsContact C-N 3.33Å; H637-I639 PolarHBondContact ND1-N 3.43Å; H637-I639 PolarHBondContact O-N 3.28Å; H637-I640 HydrophobicContact CB-CB 4.48Å; H637-I640 HydrophobicContact CB-CG1 4.12Å; H637-I640 WeakPolarHBondContact O-CA 3.35Å; H637-I640 WeakPolarHBondContact O-CB 3.25Å; H637-I640 PolarHBondContact O-N 2.96Å; H637-I641 PolarHBondContact O-N 2.96Å
638	L	91.1	Very high	91.1	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-49.7	-48.3	-174.8	-175.8	66.9	0	0	0	113.7	S9 M61 I73 M96 L104 I640 I641 V642	S9-L638 PolarHBondContact OG-N 2.78Å; M61-L638 HydrophobicContact CE-CD2 4.12Å; M61-L638 HydrophobicContact SD-CD2 3.71Å; M61-L638 HydrophobicContact SD-CG 3.73Å; I73-L638 HydrophobicContact CG2-CD1 3.45Å; I73-L638 VanDerWaalsContact CG2-CD1 3.45Å; M96-L638 HydrophobicContact CE-CD2 3.76Å; M96-L638 HydrophobicContact SD-CD2 3.86Å; L104-L638 HydrophobicContact CD2-CD2 4.06Å; L638-I640 VanDerWaalsContact C-N 3.28Å; L638-I640 PolarHBondContact O-N 3.44Å; L638-I641 PolarHBondContact O-N 3.03Å; L638-V642 WeakPolarHBondContact O-CG2 3.34Å; L638-V642 PolarHBondContact O-N 2.93Å
639	I	92.4	Very high	90.7	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.067	21%	0.214	C	C	.	.	H	α-helix	trans	-59.3	-38.4	178.3	-67.4	178.3	0	0	0	111.7	M61 L104 P138 L159 H637 N643	M61-I639 HydrophobicContact CE-CG1 4.49Å; L104-I639 HydrophobicContact CB-CD1 3.93Å; L104-I639 HydrophobicContact CD1-CD1 3.99Å; L104-I639 HydrophobicContact CD1-CG1 4.24Å; L104-I639 HydrophobicContact CD2-CG1 4.43Å; L104-I639 HydrophobicContact CG-CD1 4.44Å; P138-I639 HydrophobicContact CB-CG2 4.03Å; P138-I639 HydrophobicContact CG-CG2 3.41Å; P138-I639 VanDerWaalsContact CG-CG2 3.41Å; L159-I639 HydrophobicContact CD1-CD1 4.42Å; L159-I639 HydrophobicContact CD1-CG2 4Å; H637-I639 VanDerWaalsContact C-N 3.33Å; H637-I639 PolarHBondContact ND1-N 3.43Å; H637-I639 PolarHBondContact O-N 3.28Å; I639-N643 WeakPolarHBondContact O-CB 3.11Å; I639-N643 PolarHBondContact O-N 3.12Å; I639-N643 VanDerWaalsContact O-N 3.1Å
640	I	93.8	Very high	89.9	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-73.7	-45.2	-178.7	-58	-55.5	0	0	0	110.4	P138 K160 L633 H637 L638 V642 N643 D644	P138-I640 HydrophobicContact CG-CD1 3.89Å; K160-I640 HydrophobicContact CG-CD1 3.75Å; L633-I640 HydrophobicContact CB-CD1 4.19Å; L633-I640 HydrophobicContact CB-CG1 3.85Å; H637-I640 HydrophobicContact CB-CB 4.48Å; H637-I640 HydrophobicContact CB-CG1 4.12Å; H637-I640 WeakPolarHBondContact O-CA 3.35Å; H637-I640 WeakPolarHBondContact O-CB 3.25Å; H637-I640 PolarHBondContact O-N 2.96Å; L638-I640 VanDerWaalsContact C-N 3.28Å; L638-I640 PolarHBondContact O-N 3.44Å; I640-V642 VanDerWaalsContact C-N 3.31Å; I640-V642 PolarHBondContact O-N 3.23Å; I640-N643 PolarHBondContact O-N 2.85Å; I640-D644 WeakPolarHBondContact CG2-OD2 3.21Å; I640-D644 WeakPolarHBondContact O-CB 3.36Å; I640-D644 PolarHBondContact O-N 3.12Å
641	I	92.7	Very high	88.9	Confident	44 Å²	44	37.8 Å²	37.8	23%	0.226	21%	0.208	C	C	.	.	H	α-helix	trans	-56.3	-47	176.6	-64.2	172.5	0	0	0	110.7	V7 I73 A635 S636 H637 L638 T645	V7-I641 HydrophobicContact CG1-CD1 4.3Å; I73-I641 HydrophobicContact CD1-CG2 3.98Å; I73-I641 HydrophobicContact CG1-CG2 4.44Å; A635-I641 WeakPolarHBondContact O-CG1 2.86Å; S636-I641 VanDerWaalsContact O-CD1 3.29Å; S636-I641 WeakPolarHBondContact O-CD1 3.45Å; H637-I641 PolarHBondContact O-N 2.96Å; L638-I641 PolarHBondContact O-N 3.03Å; I641-T645 VanDerWaalsContact O-CB 3.3Å; I641-T645 WeakPolarHBondContact O-CB 3.48Å; I641-T645 PolarHBondContact O-N 3.18Å; I641-T645 PolarHBondContact O-OG1 3.3Å
642	V	92.1	Very high	87.2	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.024	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-52.2	178.1	167.2	0	0	0	0	110.5	M61 L70 I73 L638 I640 D644 T645 L646	M61-V642 HydrophobicContact CB-CG1 4.17Å; M61-V642 HydrophobicContact CG-CG1 4.37Å; M61-V642 HydrophobicContact CG-CG2 4.03Å; M61-V642 HydrophobicContact SD-CG2 4.05Å; L70-V642 HydrophobicContact CD1-CG1 3.71Å; L70-V642 HydrophobicContact CD2-CG1 4.23Å; I73-V642 HydrophobicContact CD1-CG2 4.23Å; I73-V642 HydrophobicContact CG2-CG2 4.25Å; L638-V642 WeakPolarHBondContact O-CG2 3.34Å; L638-V642 PolarHBondContact O-N 2.93Å; I640-V642 VanDerWaalsContact C-N 3.31Å; I640-V642 PolarHBondContact O-N 3.23Å; V642-D644 PolarHBondContact O-N 2.85Å; V642-T645 PolarHBondContact O-N 2.94Å; V642-L646 HydrophobicContact CG1-CD1 4.03Å; V642-L646 WeakPolarHBondContact O-CG 3.31Å; V642-L646 PolarHBondContact O-N 2.84Å
643	N	92.7	Very high	85.4	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-48.7	179.6	177.4	86.2	0	0	0	111.9	R137 P138 K160 I639 I640 T645 L646 Q647	R137-N643 WeakPolarHBondContact CB-OD1 3.42Å; R137-N643 PolarHBondContact O-ND2 3.14Å; P138-N643 HydrophobicContact CB-CB 4.4Å; P138-N643 HydrophobicContact CG-CB 3.98Å; K160-N643 PolarHBondContact NZ-ND2 3.25Å; I639-N643 WeakPolarHBondContact O-CB 3.11Å; I639-N643 PolarHBondContact O-N 3.12Å; I639-N643 VanDerWaalsContact O-N 3.1Å; I640-N643 PolarHBondContact O-N 2.85Å; N643-T645 VanDerWaalsContact C-N 3.29Å; N643-T645 PolarHBondContact O-N 3.29Å; N643-L646 PolarHBondContact O-N 3.28Å; N643-Q647 WeakPolarHBondContact O-CB 3.38Å; N643-Q647 VanDerWaalsContact O-CG 3.26Å; N643-Q647 WeakPolarHBondContact O-CG 3.37Å; N643-Q647 PolarHBondContact O-N 2.67Å
644	D	92.2	Very high	83.4	Confident	46 Å²	46	48 Å²	48	25%	0.246	25%	0.248	C	C	.	.	H	α-helix	trans	-67.4	-31.4	-177.2	-71	-9.4	0	0	0	112.5	K160 I640 V642 R648	K160-D644 WeakPolarHBondContact CE-OD1 3.23Å; K160-D644 IonicContact NZ-OD1 3.56Å; K160-D644 PolarHBondContact NZ-OD1 2.89Å; I640-D644 WeakPolarHBondContact CG2-OD2 3.21Å; I640-D644 WeakPolarHBondContact O-CB 3.36Å; I640-D644 PolarHBondContact O-N 3.12Å; V642-D644 PolarHBondContact O-N 2.85Å; D644-R648 WeakPolarHBondContact O-CB 3.42Å; D644-R648 WeakPolarHBondContact O-CG 3.41Å; D644-R648 PolarHBondContact O-N 2.99Å; D644-R648 VanDerWaalsContact O-N 3.13Å; D644-R648 PolarHBondContact O-NE 2.82Å
645	T	90.9	Very high	81	Confident	12 Å²	12	49.1 Å²	49.1	7%	0.074	26%	0.257	C	S	.	.	H	α-helix	trans	-67.4	-46	173.2	-58.3	0	0	0	0	110.8	L70 I641 V642 N643 R648 I649	L70-T645 HydrophobicContact CD2-CG2 4.18Å; I641-T645 VanDerWaalsContact O-CB 3.3Å; I641-T645 WeakPolarHBondContact O-CB 3.48Å; I641-T645 PolarHBondContact O-N 3.18Å; I641-T645 PolarHBondContact O-OG1 3.3Å; V642-T645 PolarHBondContact O-N 2.94Å; N643-T645 VanDerWaalsContact C-N 3.29Å; N643-T645 PolarHBondContact O-N 3.29Å; T645-R648 PolarHBondContact O-N 3.02Å; T645-R648 PolarHBondContact OG1-NH2 2.91Å; T645-R648 VanDerWaalsContact OG1-NH2 3.17Å; T645-I649 HydrophobicContact CG2-CD1 4.15Å; T645-I649 WeakPolarHBondContact O-CD1 3.27Å; T645-I649 WeakPolarHBondContact O-CG1 3.25Å; T645-I649 PolarHBondContact O-N 3.22Å
646	L	89.3	Confident	78.7	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-65.1	-43.4	177.3	-68.5	176.7	0	0	0	112.2	D60 Y66 L70 V642 N643 R648 I649 M650	D60-L646 HydrophobicContact CB-CD1 3.57Å; Y66-L646 HydrophobicContact CD1-CD2 3.52Å; Y66-L646 HydrophobicContact CD2-CD1 3.66Å; Y66-L646 HydrophobicContact CD2-CD2 3.8Å; Y66-L646 HydrophobicContact CD2-CG 4.4Å; Y66-L646 HydrophobicContact CE1-CD2 3.73Å; Y66-L646 HydrophobicContact CE2-CD1 3.56Å; Y66-L646 HydrophobicContact CE2-CD2 3.96Å; Y66-L646 HydrophobicContact CE2-CG 4.37Å; Y66-L646 HydrophobicContact CG-CD1 4.28Å; Y66-L646 HydrophobicContact CG-CD2 3.54Å; L70-L646 HydrophobicContact CD1-CD1 4.29Å; L70-L646 HydrophobicContact CD1-CD2 4.23Å; L70-L646 HydrophobicContact CD1-CG 4.39Å; L70-L646 HydrophobicContact CD2-CD2 4.16Å; L70-L646 HydrophobicContact CD2-CG 4.23Å; L70-L646 HydrophobicContact CG-CD2 4.31Å; V642-L646 HydrophobicContact CG1-CD1 4.03Å; V642-L646 WeakPolarHBondContact O-CG 3.31Å; V642-L646 PolarHBondContact O-N 2.84Å; N643-L646 PolarHBondContact O-N 3.28Å; L646-R648 PolarHBondContact O-N 3.07Å; L646-I649 PolarHBondContact O-N 2.9Å; L646-M650 HydrophobicContact CB-CE 4.15Å; L646-M650 WeakPolarHBondContact O-CB 3.42Å; L646-M650 WeakPolarHBondContact O-CG 3.44Å; L646-M650 PolarHBondContact O-N 3.06Å
647	Q	87	Confident	76.4	Confident	14 Å²	14	56 Å²	56	7%	0.065	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-46.4	178.5	-70.3	-62.8	-13.1	0	0	111.1	R134 N643 I649 M650 S651	R134-Q647 PolarHBondContact NH2-O 3.22Å; N643-Q647 WeakPolarHBondContact O-CB 3.38Å; N643-Q647 VanDerWaalsContact O-CG 3.26Å; N643-Q647 WeakPolarHBondContact O-CG 3.37Å; N643-Q647 PolarHBondContact O-N 2.67Å; Q647-I649 VanDerWaalsContact C-N 3.28Å; Q647-I649 PolarHBondContact O-N 2.76Å; Q647-M650 HydrophobicContact CG-CE 4.49Å; Q647-M650 PolarHBondContact O-N 2.8Å; Q647-S651 PolarHBondContact O-N 2.96Å; Q647-S651 PolarHBondContact O-OG 2.75Å
648	R	86.3	Confident	73.6	Confident	151 Å²	151	63.6 Å²	63.6	57%	0.57	31%	0.31	S	S	*	.	H	α-helix	trans	-55.5	-41.3	175.5	-82.5	179.1	-81.1	140.7	-5.5	112.9	D644 T645 L646 S651 N652	D644-R648 WeakPolarHBondContact O-CB 3.42Å; D644-R648 WeakPolarHBondContact O-CG 3.41Å; D644-R648 PolarHBondContact O-N 2.99Å; D644-R648 VanDerWaalsContact O-N 3.13Å; D644-R648 PolarHBondContact O-NE 2.82Å; T645-R648 PolarHBondContact O-N 3.02Å; T645-R648 PolarHBondContact OG1-NH2 2.91Å; T645-R648 VanDerWaalsContact OG1-NH2 3.17Å; L646-R648 PolarHBondContact O-N 3.07Å; R648-S651 WeakPolarHBondContact CA-OG 3.32Å; R648-S651 PolarHBondContact O-OG 2.78Å; R648-N652 PolarHBondContact O-N 2.87Å; R648-N652 PolarHBondContact O-OD1 2.85Å
649	I	80.9	Confident	70.7	Confident	62 Å²	62	66 Å²	66	32%	0.318	34%	0.336	S	S	.	.	H	α-helix	trans	-72.5	-41.6	179.8	-66.1	166.4	0	0	0	111.1	I69 T645 L646 Q647 S651 N652 R653	I69-I649 HydrophobicContact CD1-CD1 4.32Å; I69-I649 HydrophobicContact CG2-CD1 3.24Å; T645-I649 HydrophobicContact CG2-CD1 4.15Å; T645-I649 WeakPolarHBondContact O-CD1 3.27Å; T645-I649 WeakPolarHBondContact O-CG1 3.25Å; T645-I649 PolarHBondContact O-N 3.22Å; L646-I649 PolarHBondContact O-N 2.9Å; Q647-I649 VanDerWaalsContact C-N 3.28Å; Q647-I649 PolarHBondContact O-N 2.76Å; I649-S651 PolarHBondContact O-N 3.05Å; I649-N652 PolarHBondContact O-N 3.05Å; I649-R653 PolarHBondContact O-N 3.43Å
650	M	75.2	Confident	67.6	Low	41 Å²	41	71.4 Å²	71.4	20%	0.202	38%	0.375	C	S	.	.	H	α-helix	trans	-65.3	-36.3	178.9	-71.7	-171.8	-69.8	0	0	112.4	L646 Q647 N652 R653	L646-M650 HydrophobicContact CB-CE 4.15Å; L646-M650 WeakPolarHBondContact O-CB 3.42Å; L646-M650 WeakPolarHBondContact O-CG 3.44Å; L646-M650 PolarHBondContact O-N 3.06Å; Q647-M650 HydrophobicContact CG-CE 4.49Å; Q647-M650 PolarHBondContact O-N 2.8Å; M650-N652 VanDerWaalsContact C-N 3.32Å; M650-N652 PolarHBondContact O-N 2.86Å; M650-R653 PolarHBondContact O-N 2.76Å
651	S	70	Confident	64.8	Low	33 Å²	33	75.4 Å²	75.4	23%	0.231	40%	0.401	C	S	.	.	H	α-helix	trans	-64.7	-34.7	174.1	35.7	0	0	0	0	113.2	R134 Q647 R648 I649 R653 S654 N655	R134-S651 PolarHBondContact NH2-OG 2.89Å; Q647-S651 PolarHBondContact O-N 2.96Å; Q647-S651 PolarHBondContact O-OG 2.75Å; R648-S651 WeakPolarHBondContact CA-OG 3.32Å; R648-S651 PolarHBondContact O-OG 2.78Å; I649-S651 PolarHBondContact O-N 3.05Å; S651-R653 VanDerWaalsContact C-N 3.25Å; S651-R653 PolarHBondContact O-N 3.42Å; S651-S654 PolarHBondContact O-N 2.98Å; S651-S654 PolarHBondContact O-OG 2.96Å; S651-N655 PolarHBondContact O-N 3Å
652	N	57.3	Low	62	Low	98 Å²	98	82.8 Å²	82.8	52%	0.524	44%	0.435	S	S	.	.	H	α-helix	trans	-68.6	-28.1	-179.4	-71.6	-3.6	0	0	0	111.8	R648 I649 M650	R648-N652 PolarHBondContact O-N 2.87Å; R648-N652 PolarHBondContact O-OD1 2.85Å; I649-N652 PolarHBondContact O-N 3.05Å; M650-N652 VanDerWaalsContact C-N 3.32Å; M650-N652 PolarHBondContact O-N 2.86Å
653	R	55.5	Low	59.3	Low	185 Å²	185	87.3 Å²	87.3	70%	0.698	46%	0.462	S	S	*	.	H	α-helix	trans	-69.3	-42.2	174.6	-77.1	-171.7	176.3	-167.6	0.3	112.7	I649 M650 S651 S656	I649-R653 PolarHBondContact O-N 3.43Å; M650-R653 PolarHBondContact O-N 2.76Å; S651-R653 VanDerWaalsContact C-N 3.25Å; S651-R653 PolarHBondContact O-N 3.42Å; R653-S656 PolarHBondContact O-N 2.94Å; R653-S656 PolarHBondContact O-OG 3.38Å
654	S	50.5	Low	56.4	Low	65 Å²	65	90.5 Å²	90.5	46%	0.455	49%	0.489	S	S	.	.	H	α-helix	trans	-68.7	-33	-179.1	53	0	0	0	0	113.1	S651 S656	S651-S654 PolarHBondContact O-N 2.98Å; S651-S654 PolarHBondContact O-OG 2.96Å; S654-S656 VanDerWaalsContact C-N 3.31Å; S654-S656 PolarHBondContact O-N 3.19Å
655	N	41.9	Very low	53.6	Low	122 Å²	122	98.7 Å²	98.7	65%	0.652	52%	0.517	S	S	*	.	H	α-helix	trans	-74.6	-17.1	178.9	-73.9	-0.7	0	0	0	113.7	S651 R657 L658	S651-N655 PolarHBondContact O-N 3Å; N655-R657 PolarHBondContact O-N 2.85Å; N655-R657 VanDerWaalsContact O-N 3.1Å; N655-L658 PolarHBondContact O-N 3Å
656	S	39.7	Very low	51.1	Low	68 Å²	68	102.5 Å²	102.5	48%	0.476	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	3.6	178.5	75	0	0	0	0	115	R653 S654 L658	R653-S656 PolarHBondContact O-N 2.94Å; R653-S656 PolarHBondContact O-OG 3.38Å; S654-S656 VanDerWaalsContact C-N 3.31Å; S654-S656 PolarHBondContact O-N 3.19Å; S656-L658 VanDerWaalsContact C-N 3.3Å
657	R	41.4	Very low	48.7	Very low	197 Å²	197	109.8 Å²	109.8	74%	0.743	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-17.1	171.8	-61.3	-168.2	-155.4	-133.4	7.1	113.2	N655	N655-R657 PolarHBondContact O-N 2.85Å; N655-R657 VanDerWaalsContact O-N 3.1Å
658	L	33.7	Very low	46.5	Very low	166 Å²	166	113.7 Å²	113.7	87%	0.869	60%	0.604	S	S	*	*	S	Bend	trans	-116.8	95.4	172.1	-98	86.9	0	0	0	110.1	N655 S656	N655-L658 PolarHBondContact O-N 3Å; S656-L658 VanDerWaalsContact C-N 3.3Å
659	G	28.6	Very low	44.3	Very low	54 Å²	54	109.3 Å²	109.3	56%	0.557	61%	0.606	S	S	*	*	S	Bend	trans	79.6	127.5	172.3	0	0	0	0	0	113.1	P661	G659-P661 WeakPolarHBondContact O-CD 3.48Å
660	S	28	Very low	42.7	Very low	128 Å²	128	112.4 Å²	112.4	90%	0.895	62%	0.623	S	S	*	*			trans	-51.6	125.4	166.8	-59.8	0	0	0	0	110
661	P	35.1	Very low	41.7	Very low	87 Å²	87	113.2 Å²	113.2	57%	0.565	63%	0.633	S	S	*	*				-109.2	137.1	124.5	30.2	-28.8	0	0	0	107.4	G659 V663	G659-P661 WeakPolarHBondContact O-CD 3.48Å; P661-V663 HydrophobicContact CB-CG2 4.44Å; P661-V663 HydrophobicContact CG-CG2 4.13Å; P661-V663 PolarHBondContact O-N 2.84Å
662	E	33.8	Very low	41	Very low	200 Å²	200	114.8 Å²	114.8	94%	0.935	64%	0.644	S	S	*	*			trans	-61.5	65.4	172.4	-160.8	174.4	-159.3	0	0	109.8	A664	E662-A664 PolarHBondContact O-N 3.27Å; E662-A664 VanDerWaalsContact O-N 3.17Å
663	V	36	Very low	41.1	Very low	98 Å²	98	117.1 Å²	117.1	59%	0.594	65%	0.645	S	S	*	*			trans	-75.7	108.6	171.1	179.2	0	0	0	0	105	P661 R665	P661-V663 HydrophobicContact CB-CG2 4.44Å; P661-V663 HydrophobicContact CG-CG2 4.13Å; P661-V663 PolarHBondContact O-N 2.84Å; V663-R665 PolarHBondContact O-N 3.34Å
664	A	30.2	Very low	41.2	Very low	72 Å²	72	111.4 Å²	111.4	60%	0.595	63%	0.628	S	S	*	*			trans	-27.9	103.8	175.5	0	0	0	0	0	110.6	E662	E662-A664 PolarHBondContact O-N 3.27Å; E662-A664 VanDerWaalsContact O-N 3.17Å
665	R	35.4	Very low	41.6	Very low	218 Å²	218	112.9 Å²	112.9	82%	0.823	64%	0.638	S	S	*	*			trans	-40.2	133.4	151.8	-76.1	178.3	168.9	169.7	-2.7	105.5	V663 L667	V663-R665 PolarHBondContact O-N 3.34Å; R665-L667 PolarHBondContact O-N 2.9Å
666	P	37.9	Very low	42.2	Very low	91 Å²	91	112.6 Å²	112.6	59%	0.591	63%	0.633	S	S	*	*	S	Bend	trans	-42.3	116.7	-174.5	17.6	-30	0	0	0	106.2	V668	P666-V668 PolarHBondContact O-N 3.32Å
667	L	38	Very low	43	Very low	156 Å²	156	113 Å²	113	82%	0.817	63%	0.629	S	S	*	*			trans	-37.8	118.6	-173	-79.5	159.7	0	0	0	105.5	R665 G669	R665-L667 PolarHBondContact O-N 2.9Å; L667-G669 PolarHBondContact O-N 2.71Å
668	V	40.5	Very low	43.5	Very low	96 Å²	96	107.9 Å²	107.9	58%	0.582	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	49.7	173.3	-172.4	0	0	0	0	106.9	P666 I674	P666-V668 PolarHBondContact O-N 3.32Å; V668-I674 HydrophobicContact CG1-CD1 4.44Å
669	G	41.3	Very low	44.7	Very low	59 Å²	59	103.1 Å²	103.1	61%	0.608	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-37.1	177.2	0	0	0	0	0	109.4	L667 S671	L667-G669 PolarHBondContact O-N 2.71Å; G669-S671 VanDerWaalsContact C-N 3.28Å; G669-S671 PolarHBondContact O-N 3.25Å
670	D	46.6	Very low	45.5	Very low	126 Å²	126	104 Å²	104	67%	0.674	58%	0.583	S	S	*	*			trans	-92.5	66	164	-79.9	-24.5	0	0	0	109.9	S672	D670-S672 PolarHBondContact O-N 3.41Å
671	S	53.4	Low	46.3	Very low	59 Å²	59	99.4 Å²	99.4	41%	0.413	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	3.4	155.4	42.8	0	0	0	0	112	G669 W673 I674	G669-S671 VanDerWaalsContact C-N 3.28Å; G669-S671 PolarHBondContact O-N 3.25Å; S671-W673 PolarHBondContact O-N 3.36Å; S671-I674 WeakPolarHBondContact O-CA 3.39Å; S671-I674 VanDerWaalsContact O-CB 3.25Å; S671-I674 WeakPolarHBondContact O-CB 3.32Å; S671-I674 PolarHBondContact O-N 3.39Å
672	S	56.9	Low	46.8	Very low	65 Å²	65	101.1 Å²	101.1	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-51.8	-39.3	176.2	56.8	0	0	0	0	112.1	D670 I674 S675 E676	D670-S672 PolarHBondContact O-N 3.41Å; S672-I674 PolarHBondContact O-N 3.03Å; S672-S675 WeakPolarHBondContact O-CB 3.5Å; S672-S675 PolarHBondContact O-N 3.21Å; S672-S675 VanDerWaalsContact O-N 3.09Å; S672-S675 PolarHBondContact O-OG 3.3Å; S672-E676 PolarHBondContact O-N 3.27Å
673	W	58.8	Low	47.1	Very low	148 Å²	148	93 Å²	93	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-62.5	-28.7	175.8	72	-89	0	0	0	113.5	S671 S675 E676 I677	S671-W673 PolarHBondContact O-N 3.36Å; W673-S675 VanDerWaalsContact C-N 3.25Å; W673-S675 PolarHBondContact O-N 2.94Å; W673-E676 WeakPolarHBondContact O-CA 3.25Å; W673-E676 WeakPolarHBondContact O-CB 3.34Å; W673-E676 PolarHBondContact O-N 3.49Å; W673-I677 HydrophobicContact CE3-CD1 3.28Å; W673-I677 HydrophobicContact CE3-CG1 3.98Å; W673-I677 HydrophobicContact CH2-CD1 4.27Å; W673-I677 HydrophobicContact CZ3-CD1 3.07Å; W673-I677 HydrophobicContact CZ3-CG1 4.22Å; W673-I677 PolarHBondContact O-N 3.06Å
674	I	57.6	Low	47.2	Very low	65 Å²	65	90.7 Å²	90.7	33%	0.333	51%	0.509	S	S	.	.	H	α-helix	trans	-65.7	-34.7	177.8	-60.6	169.3	0	0	0	109.8	V668 S671 S672 E676 I677 I679	V668-I674 HydrophobicContact CG1-CD1 4.44Å; S671-I674 WeakPolarHBondContact O-CA 3.39Å; S671-I674 VanDerWaalsContact O-CB 3.25Å; S671-I674 WeakPolarHBondContact O-CB 3.32Å; S671-I674 PolarHBondContact O-N 3.39Å; S672-I674 PolarHBondContact O-N 3.03Å; I674-E676 PolarHBondContact O-N 3.48Å; I674-I677 PolarHBondContact O-N 3.22Å; I674-I679 HydrophobicContact CG2-CD1 4.18Å
675	S	58.1	Low	48.1	Very low	96 Å²	96	90.3 Å²	90.3	67%	0.671	50%	0.5	S	S	*	.	H	α-helix	trans	-69.4	-21.5	173.7	74.5	0	0	0	0	113.2	S672 W673	S672-S675 WeakPolarHBondContact O-CB 3.5Å; S672-S675 PolarHBondContact O-N 3.21Å; S672-S675 VanDerWaalsContact O-N 3.09Å; S672-S675 PolarHBondContact O-OG 3.3Å; W673-S675 VanDerWaalsContact C-N 3.25Å; W673-S675 PolarHBondContact O-N 2.94Å
676	E	55.6	Low	48.4	Very low	116 Å²	116	86 Å²	86	54%	0.542	49%	0.489	S	S	.	.	H	α-helix	trans	-85.1	-12.4	174	-51.3	-71	150.9	0	0	112.3	K433 S672 W673 I674	K433-E676 IonicContact NZ-OE1 3.91Å; K433-E676 PolarHBondContact NZ-OE1 3.42Å; K433-E676 IonicContact NZ-OE2 3.89Å; K433-E676 PolarHBondContact NZ-OE2 3.47Å; S672-E676 PolarHBondContact O-N 3.27Å; W673-E676 WeakPolarHBondContact O-CA 3.25Å; W673-E676 WeakPolarHBondContact O-CB 3.34Å; W673-E676 PolarHBondContact O-N 3.49Å; I674-E676 PolarHBondContact O-N 3.48Å
677	I	55.4	Low	48.9	Very low	76 Å²	76	83.9 Å²	83.9	39%	0.39	47%	0.469	S	S	.	.	S	Bend	trans	-85.9	119.1	173.4	-66.5	-172.7	0	0	0	109.2	W673 I674 I679	W673-I677 HydrophobicContact CE3-CD1 3.28Å; W673-I677 HydrophobicContact CE3-CG1 3.98Å; W673-I677 HydrophobicContact CH2-CD1 4.27Å; W673-I677 HydrophobicContact CZ3-CD1 3.07Å; W673-I677 HydrophobicContact CZ3-CG1 4.22Å; W673-I677 PolarHBondContact O-N 3.06Å; I674-I677 PolarHBondContact O-N 3.22Å; I677-I679 HydrophobicContact CG2-CG1 4.03Å; I677-I679 PolarHBondContact O-N 3.13Å
678	E	53.5	Low	49.5	Very low	90 Å²	90	83.4 Å²	83.4	42%	0.421	46%	0.457	S	S	.	.			trans	-67.6	99.1	166.2	-70.3	-174.9	167.9	0	0	109.5	R440 V680	R440-E678 IonicContact CZ-OE1 2.69Å; R440-E678 IonicContact NH1-OE1 3.6Å; R440-E678 PolarHBondContact NH1-OE1 2.7Å; E678-V680 VanDerWaalsContact C-N 3.28Å
679	I	58	Low	49.9	Very low	65 Å²	65	81.8 Å²	81.8	33%	0.333	44%	0.444	S	S	.	.			trans	-81.7	-14.7	174.6	-56.7	166.8	0	0	0	111.2	I674 I677 L689 W690	I674-I679 HydrophobicContact CG2-CD1 4.18Å; I677-I679 HydrophobicContact CG2-CG1 4.03Å; I677-I679 PolarHBondContact O-N 3.13Å; I679-L689 HydrophobicContact CB-CD1 4.41Å; I679-L689 HydrophobicContact CG2-CD1 4.2Å; I679-W690 HydrophobicContact CG2-CE3 4.43Å; I679-W690 HydrophobicContact CG2-CZ3 3.71Å
680	V	45.2	Very low	50.4	Low	73 Å²	73	87 Å²	87	44%	0.442	45%	0.445	S	S	.	.	S	Bend	trans	-111.8	123.3	-177.4	-176.7	0	0	0	0	109.4	E678	E678-V680 VanDerWaalsContact C-N 3.28Å
681	T	45.2	Very low	50.4	Low	32 Å²	32	86.9 Å²	86.9	20%	0.196	44%	0.443	C	S	.	.			trans	-78.3	136.5	171	61.7	0	0	0	0	110	A683 H686 L750	T681-A683 PolarHBondContact OG1-O 3.16Å; T681-H686 PolarHBondContact O-CE1 2.66Å; T681-H686 PolarHBondContact O-ND1 3.17Å; T681-L750 HydrophobicContact CG2-CD1 4.12Å
682	Y	44.9	Very low	50.3	Low	123 Å²	123	85.8 Å²	85.8	48%	0.482	44%	0.44	S	S	.	.	S	Bend	trans	-82.1	-17	173.4	-65.4	-73.7	0	0	0	113.1	R440	R440-Y682 PolarHBondContact NH2-OH 3.03Å
683	A	40.6	Very low	49.8	Very low	29 Å²	29	87.8 Å²	87.8	24%	0.24	45%	0.452	C	S	.	.	S	Bend	trans	-81.3	123.1	171.8	0	0	0	0	0	109.7	T681	T681-A683 PolarHBondContact OG1-O 3.16Å
684	G	37.6	Very low	49.4	Very low	50 Å²	50	82.7 Å²	82.7	52%	0.515	43%	0.434	S	S	.	.	S	Bend	trans	-67.9	156.5	174.9	0	0	0	0	0	112.6
685	P	49.7	Very low	49.1	Very low	63 Å²	63	83.5 Å²	83.5	41%	0.409	44%	0.436	S	S	.	.	S	Bend	cis	-73.3	138.9	-9.5	29	-32.3	0	0	0	111	R687 V754	P685-R687 VanDerWaalsContact C-N 3.29Å; P685-R687 PolarHBondContact O-N 3.18Å; P685-V754 HydrophobicContact CG-CG2 3.94Å
686	H	40.8	Very low	48.5	Very low	127 Å²	127	80.6 Å²	80.6	59%	0.588	41%	0.414	S	S	*	.			trans	-60.8	85.4	178.4	-72.3	-97.5	0	0	0	110.4	T681	T681-H686 PolarHBondContact O-CE1 2.66Å; T681-H686 PolarHBondContact O-ND1 3.17Å
687	R	49	Very low	48.1	Very low	48 Å²	48	80.3 Å²	80.3	18%	0.181	41%	0.411	C	S	.	.			trans	-95.1	123	169.5	51.1	-177.9	171.2	-84.2	0.1	108.4	P685 M691 I752	P685-R687 VanDerWaalsContact C-N 3.29Å; P685-R687 PolarHBondContact O-N 3.18Å; R687-M691 HydrophobicContact CB-CB 4.28Å; R687-M691 HydrophobicContact CB-CE 4.02Å; R687-M691 HydrophobicContact CB-SD 3.87Å; R687-I752 VanDerWaalsContact NH2-CG1 3.34Å
688	R	50.7	Low	47.9	Very low	146 Å²	146	78.4 Å²	78.4	55%	0.551	40%	0.4	S	S	*	.			trans	-62.6	145.8	173.1	-73.9	147.4	168.7	-110.2	14.5	108.6	W690 M691	R688-W690 HydrophobicContact CB-CD2 3.53Å; R688-W690 HydrophobicContact CB-CE3 3.72Å; R688-W690 HydrophobicContact CB-CG 4.3Å; R688-W690 HydrophobicContact CB-CH2 3.71Å; R688-W690 HydrophobicContact CB-CZ2 3.54Å; R688-W690 HydrophobicContact CB-CZ3 3.77Å; R688-W690 HydrophobicContact CG-CD2 4.48Å; R688-W690 HydrophobicContact CG-CH2 3.64Å; R688-W690 HydrophobicContact CG-CZ2 3.57Å; R688-W690 HydrophobicContact CG-CZ3 4.12Å; R688-W690 PolarHBondContact O-N 2.67Å; R688-M691 HydrophobicContact CB-CG 4.39Å; R688-M691 HydrophobicContact CB-SD 4.44Å; R688-M691 WeakPolarHBondContact O-CB 3.46Å; R688-M691 PolarHBondContact O-N 3.34Å
689	L	49.3	Very low	47.6	Very low	62 Å²	62	77.6 Å²	77.6	33%	0.325	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-51	-24.4	-175.5	-74.8	170.5	0	0	0	114.2	I679 Q694	I679-L689 HydrophobicContact CB-CD1 4.41Å; I679-L689 HydrophobicContact CG2-CD1 4.2Å; L689-Q694 VanDerWaalsContact CA-NE2 3.31Å; L689-Q694 HydrophobicContact CD2-CG 3.55Å; L689-Q694 PolarHBondContact O-NE2 2.82Å; L689-Q694 PolarHBondContact O-OE1 3.42Å
690	W	52.1	Low	47.2	Very low	167 Å²	167	76.5 Å²	76.5	63%	0.633	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-85.8	-5.2	179.1	56.5	87.5	0	0	0	115.5	I679 R688 G692	I679-W690 HydrophobicContact CG2-CE3 4.43Å; I679-W690 HydrophobicContact CG2-CZ3 3.71Å; R688-W690 HydrophobicContact CB-CD2 3.53Å; R688-W690 HydrophobicContact CB-CE3 3.72Å; R688-W690 HydrophobicContact CB-CG 4.3Å; R688-W690 HydrophobicContact CB-CH2 3.71Å; R688-W690 HydrophobicContact CB-CZ2 3.54Å; R688-W690 HydrophobicContact CB-CZ3 3.77Å; R688-W690 HydrophobicContact CG-CD2 4.48Å; R688-W690 HydrophobicContact CG-CH2 3.64Å; R688-W690 HydrophobicContact CG-CZ2 3.57Å; R688-W690 HydrophobicContact CG-CZ3 4.12Å; R688-W690 PolarHBondContact O-N 2.67Å; W690-G692 PolarHBondContact O-N 2.89Å
691	M	47.1	Very low	47.4	Very low	125 Å²	125	80.1 Å²	80.1	62%	0.616	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-76.5	-7.5	-178.9	-70.4	178.7	54.1	0	0	113.9	R687 R688	R687-M691 HydrophobicContact CB-CB 4.28Å; R687-M691 HydrophobicContact CB-CE 4.02Å; R687-M691 HydrophobicContact CB-SD 3.87Å; R688-M691 HydrophobicContact CB-CG 4.39Å; R688-M691 HydrophobicContact CB-SD 4.44Å; R688-M691 WeakPolarHBondContact O-CB 3.46Å; R688-M691 PolarHBondContact O-N 3.34Å
692	G	49.7	Very low	47.4	Very low	35 Å²	35	83.6 Å²	83.6	36%	0.361	43%	0.428	S	S	.	.	S	Bend	trans	167.8	165.8	177.5	0	0	0	0	0	111.7	W690 Q694	W690-G692 PolarHBondContact O-N 2.89Å; G692-Q694 PolarHBondContact O-NE2 3.41Å; G692-Q694 PolarHBondContact O-OE1 2.97Å
693	P	46.5	Very low	47.3	Very low	107 Å²	107	85.1 Å²	85.1	70%	0.695	43%	0.432	S	S	*	.			trans	-68.6	130.8	-176.9	26.6	-32.9	0	0	0	112.3	F695	P693-F695 VanDerWaalsContact C-N 3.29Å
694	Q	50.2	Low	47.2	Very low	42 Å²	42	86.6 Å²	86.6	20%	0.196	45%	0.45	C	S	.	.	S	Bend	trans	-79.8	-15.8	177.3	-70.5	64.7	35.6	0	0	112.9	L689 G692 L750	L689-Q694 VanDerWaalsContact CA-NE2 3.31Å; L689-Q694 HydrophobicContact CD2-CG 3.55Å; L689-Q694 PolarHBondContact O-NE2 2.82Å; L689-Q694 PolarHBondContact O-OE1 3.42Å; G692-Q694 PolarHBondContact O-NE2 3.41Å; G692-Q694 PolarHBondContact O-OE1 2.97Å; Q694-L750 HydrophobicContact CG-CD1 4.31Å
695	F	51.7	Low	47.1	Very low	82 Å²	82	92 Å²	92	36%	0.36	47%	0.468	S	S	.	.	S	Bend	trans	-121.7	149.3	179.3	47.1	-89.3	0	0	0	108.7	P693 F697 V736	P693-F695 VanDerWaalsContact C-N 3.29Å; F695-F697 HydrophobicContact CD2-CD2 4.26Å; F695-F697 HydrophobicContact CD2-CE1 4.3Å; F695-F697 AromaticContact CD2-CE2 3.75Å; F695-F697 HydrophobicContact CD2-CE2 3.75Å; F695-F697 AromaticContact CD2-CZ 3.78Å; F695-F697 HydrophobicContact CD2-CZ 3.78Å; F695-F697 HydrophobicContact CE2-CD2 4.27Å; F695-F697 HydrophobicContact CE2-CE1 4.23Å; F695-F697 AromaticContact CE2-CE2 3.35Å; F695-F697 HydrophobicContact CE2-CE2 3.35Å; F695-F697 AromaticContact CE2-CZ 3.33Å; F695-F697 HydrophobicContact CE2-CZ 3.33Å; F695-F697 HydrophobicContact CZ-CZ 4.42Å; F695-V736 HydrophobicContact CB-CG1 3.64Å; F695-V736 HydrophobicContact CD2-CG1 4.27Å; F695-V736 HydrophobicContact CG-CG1 4.01Å
696	T	46.4	Very low	46.3	Very low	35 Å²	35	93.6 Å²	93.6	22%	0.215	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.1	170.6	-49	0	0	0	0	107.1	E737	T696-E737 PolarHBondContact N-O 3.05Å; T696-E737 PolarHBondContact O-N 3.49Å
697	F	46.3	Very low	46	Very low	109 Å²	109	93.5 Å²	93.5	48%	0.478	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	132.3	167.1	-63.8	-78.9	0	0	0	108.9	F695 P734 V736	F695-F697 HydrophobicContact CD2-CD2 4.26Å; F695-F697 HydrophobicContact CD2-CE1 4.3Å; F695-F697 AromaticContact CD2-CE2 3.75Å; F695-F697 HydrophobicContact CD2-CE2 3.75Å; F695-F697 AromaticContact CD2-CZ 3.78Å; F695-F697 HydrophobicContact CD2-CZ 3.78Å; F695-F697 HydrophobicContact CE2-CD2 4.27Å; F695-F697 HydrophobicContact CE2-CE1 4.23Å; F695-F697 AromaticContact CE2-CE2 3.35Å; F695-F697 HydrophobicContact CE2-CE2 3.35Å; F695-F697 AromaticContact CE2-CZ 3.33Å; F695-F697 HydrophobicContact CE2-CZ 3.33Å; F695-F697 HydrophobicContact CZ-CZ 4.42Å; F697-P734 HydrophobicContact CB-CB 4.21Å; F697-P734 HydrophobicContact CD1-CB 3.92Å; F697-P734 HydrophobicContact CG-CB 4.37Å; F697-V736 HydrophobicContact CD1-CG2 3.85Å; F697-V736 HydrophobicContact CE1-CG2 3.42Å; F697-V736 VanDerWaalsContact CE1-CG2 3.42Å; F697-V736 HydrophobicContact CZ-CG2 4.31Å
698	K	51.8	Low	45.3	Very low	36 Å²	36	94.7 Å²	94.7	16%	0.157	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.4	163.9	-75.5	-177.7	178.3	170.2	0	109.2	F700 A714 P734 V735 E737	K698-F700 HydrophobicContact CB-CE2 4.32Å; K698-A714 HydrophobicContact CD-CB 4.21Å; K698-P734 WeakPolarHBondContact O-CA 3.22Å; K698-V735 PolarHBondContact N-O 3.21Å; K698-V735 PolarHBondContact O-N 3Å; K698-E737 WeakPolarHBondContact CE-OE2 3.41Å; K698-E737 VanDerWaalsContact NZ-CD 3.32Å; K698-E737 IonicContact NZ-OE1 3.64Å; K698-E737 PolarHBondContact NZ-OE1 2.97Å; K698-E737 IonicContact NZ-OE2 3.26Å; K698-E737 PolarHBondContact NZ-OE2 2.84Å
699	T	46.8	Very low	44.7	Very low	73 Å²	73	91.5 Å²	91.5	45%	0.448	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.9	168	-62.3	0	0	0	0	108.7	V732	T699-V732 HydrophobicContact CG2-CB 3.95Å; T699-V732 HydrophobicContact CG2-CG1 3.25Å; T699-V732 HydrophobicContact CG2-CG2 3.68Å; T699-V732 WeakPolarHBondContact OG1-CG1 3.35Å
700	F	49.3	Very low	43.9	Very low	42 Å²	42	96.1 Å²	96.1	18%	0.184	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132	162.7	-71.7	-89.6	0	0	0	108.5	K698 V733 V735	K698-F700 HydrophobicContact CB-CE2 4.32Å; F700-V733 PolarHBondContact N-O 3.25Å; F700-V735 HydrophobicContact CD2-CB 3.95Å; F700-V735 HydrophobicContact CD2-CG2 3.45Å; F700-V735 VanDerWaalsContact CD2-CG2 3.45Å; F700-V735 HydrophobicContact CE2-CB 3.62Å; F700-V735 HydrophobicContact CE2-CG1 4.26Å; F700-V735 HydrophobicContact CE2-CG2 3.5Å; F700-V735 VanDerWaalsContact CE2-CG2 3.5Å
701	L	50.2	Low	43.2	Very low	149 Å²	149	91.1 Å²	91.1	78%	0.78	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-74	132.9	169.3	-80.6	130	0	0	0	108.4
702	D	44.2	Very low	43.1	Very low	106 Å²	106	89.6 Å²	89.6	57%	0.567	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-60.6	137.4	175.1	-155.5	-2.4	0	0	0	110	G704	D702-G704 VanDerWaalsContact C-N 3.3Å; D702-G704 PolarHBondContact O-N 2.99Å
703	R	43.6	Very low	42.3	Very low	154 Å²	154	92.5 Å²	92.5	58%	0.581	53%	0.525	S	S	*	.			trans	-76.7	78	-166.1	-153	179.5	94.7	178.6	6.6	110.5	D705	R703-D705 PolarHBondContact O-N 3.43Å; R703-D705 VanDerWaalsContact O-N 3.16Å
704	G	37.5	Very low	41.9	Very low	60 Å²	60	89.5 Å²	89.5	62%	0.619	51%	0.508	S	S	*	.			trans	-69.1	100.9	160.2	0	0	0	0	0	109.8	D702 T706	D702-G704 VanDerWaalsContact C-N 3.3Å; D702-G704 PolarHBondContact O-N 2.99Å; G704-T706 VanDerWaalsContact C-N 3.29Å; G704-T706 PolarHBondContact O-N 2.91Å
705	D	36.6	Very low	40.9	Very low	165 Å²	165	92 Å²	92	88%	0.882	53%	0.53	S	S	*	.	S	Bend	trans	49.5	13.2	159.6	-78.2	-18.9	0	0	0	121.6	R703	R703-D705 PolarHBondContact O-N 3.43Å; R703-D705 VanDerWaalsContact O-N 3.16Å
706	T	32.3	Very low	39.9	Very low	96 Å²	96	97.8 Å²	97.8	59%	0.589	56%	0.555	S	S	*	*			trans	-98.3	104.7	175.6	46.8	0	0	0	0	112.6	G704 S708	G704-T706 VanDerWaalsContact C-N 3.29Å; G704-T706 PolarHBondContact O-N 2.91Å; T706-S708 PolarHBondContact O-N 2.97Å; T706-S708 VanDerWaalsContact O-N 3.16Å
707	T	35.7	Very low	39.1	Very low	124 Å²	124	103.9 Å²	103.9	76%	0.761	58%	0.581	S	S	*	*			trans	-78.8	80.4	170.5	52.3	0	0	0	0	110.2
708	S	33.4	Very low	38.3	Very low	73 Å²	73	109.5 Å²	109.5	51%	0.51	60%	0.599	S	S	.	*	S	Bend	trans	-159.9	144.1	169	-80.2	0	0	0	0	112.1	T706 E710 A711	T706-S708 PolarHBondContact O-N 2.97Å; T706-S708 VanDerWaalsContact O-N 3.16Å; S708-E710 PolarHBondContact O-N 2.95Å; S708-A711 PolarHBondContact O-N 2.71Å
709	A	37.2	Very low	37.2	Very low	80 Å²	80	112 Å²	112	66%	0.661	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-56.8	-1.8	172.5	0	0	0	0	0	114.2	A711 F712	A709-A711 VanDerWaalsContact C-N 3.26Å; A709-A711 PolarHBondContact O-N 3.4Å; A709-F712 HydrophobicContact CB-CD2 4.29Å; A709-F712 VanDerWaalsContact O-CD2 3.24Å; A709-F712 WeakPolarHBondContact O-CD2 3.33Å; A709-F712 PolarHBondContact O-N 3.3Å
710	E	33.5	Very low	36.3	Very low	158 Å²	158	116.4 Å²	116.4	74%	0.738	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-69.4	-19.6	174.3	-63.3	-174.9	163.4	0	0	113.3	S708 F712 S713	S708-E710 PolarHBondContact O-N 2.95Å; E710-F712 PolarHBondContact O-N 3.28Å; E710-F712 VanDerWaalsContact O-N 3.14Å; E710-S713 WeakPolarHBondContact O-CB 3.36Å; E710-S713 PolarHBondContact O-N 2.77Å
711	A	38	Very low	35.5	Very low	62 Å²	62	120.3 Å²	120.3	51%	0.512	67%	0.666	S	S	.	*	G	3₁₀ helix	trans	-64	-14.8	172.6	0	0	0	0	0	113.6	S708 A709 S713	S708-A711 PolarHBondContact O-N 2.71Å; A709-A711 VanDerWaalsContact C-N 3.26Å; A709-A711 PolarHBondContact O-N 3.4Å; A711-S713 VanDerWaalsContact C-N 3.3Å
712	F	43.3	Very low	34.6	Very low	94 Å²	94	119.6 Å²	119.6	41%	0.412	66%	0.66	S	S	.	*	G	3₁₀ helix	trans	-81.1	-10.5	171.3	-61.1	-68.7	0	0	0	113	F241 T373 A709 E710 A714	F241-F712 HydrophobicContact CE2-CZ 4.21Å; F241-F712 HydrophobicContact CZ-CZ 4.31Å; T373-F712 HydrophobicContact CG2-CE1 4.45Å; T373-F712 HydrophobicContact CG2-CZ 4.48Å; A709-F712 HydrophobicContact CB-CD2 4.29Å; A709-F712 VanDerWaalsContact O-CD2 3.24Å; A709-F712 WeakPolarHBondContact O-CD2 3.33Å; A709-F712 PolarHBondContact O-N 3.3Å; E710-F712 PolarHBondContact O-N 3.28Å; E710-F712 VanDerWaalsContact O-N 3.14Å; F712-A714 PolarHBondContact O-N 2.98Å; F712-A714 VanDerWaalsContact O-N 3.09Å
713	S	33.8	Very low	33.8	Very low	96 Å²	96	120.6 Å²	120.6	67%	0.671	67%	0.67	S	S	*	*	S	Bend	trans	-79.3	93.7	175.4	-157.2	0	0	0	0	108.8	E710 A711 C715	E710-S713 WeakPolarHBondContact O-CB 3.36Å; E710-S713 PolarHBondContact O-N 2.77Å; A711-S713 VanDerWaalsContact C-N 3.3Å; S713-C715 PolarHBondContact O-N 3.18Å
714	A	38.6	Very low	33	Very low	43 Å²	43	119.1 Å²	119.1	36%	0.355	68%	0.678	S	S	.	*			trans	-46.6	124.5	169.4	0	0	0	0	0	109.4	K698 F712 K716	K698-A714 HydrophobicContact CD-CB 4.21Å; F712-A714 PolarHBondContact O-N 2.98Å; F712-A714 VanDerWaalsContact O-N 3.09Å; A714-K716 PolarHBondContact O-N 2.86Å; A714-K716 VanDerWaalsContact O-N 3.11Å
715	C	29	Very low	32.7	Very low	95 Å²	95	121.1 Å²	121.1	64%	0.642	68%	0.68	S	S	*	*			trans	-53.3	124.6	170.1	-159.5	0	0	0	0	107.4	S713 E717	S713-C715 PolarHBondContact O-N 3.18Å; C715-E717 PolarHBondContact O-N 3.05Å
716	K	31.2	Very low	32.5	Very low	203 Å²	203	119.7 Å²	119.7	88%	0.883	68%	0.677	S	S	*	*			trans	-70.9	25	-176.1	-91.1	-176.4	178	176.5	0	112.9	A714 R718	A714-K716 PolarHBondContact O-N 2.86Å; A714-K716 VanDerWaalsContact O-N 3.11Å; K716-R718 PolarHBondContact O-N 2.77Å; K716-R718 VanDerWaalsContact O-N 3.09Å
717	E	27.8	Very low	32.5	Very low	164 Å²	164	126.5 Å²	126.5	77%	0.766	69%	0.692	S	S	*	*			trans	-76.7	106.7	175	-73.2	-179.1	-178.7	0	0	108.3	C715 S719	C715-E717 PolarHBondContact O-N 3.05Å; E717-S719 PolarHBondContact O-N 2.68Å
718	R	29.9	Very low	32.2	Very low	227 Å²	227	127.6 Å²	127.6	86%	0.857	69%	0.689	S	S	*	*			trans	-39.1	124.6	166.5	-162.1	178.8	-169.8	-171.7	1.1	107.8	K716 E720	K716-R718 PolarHBondContact O-N 2.77Å; K716-R718 VanDerWaalsContact O-N 3.09Å; R718-E720 VanDerWaalsContact C-N 3.35Å; R718-E720 PolarHBondContact O-N 3.45Å
719	S	30.2	Very low	32.1	Very low	89 Å²	89	130.5 Å²	130.5	62%	0.622	71%	0.706	S	S	*	*			trans	-61.6	95.4	178.8	44	0	0	0	0	109.8	E717	E717-S719 PolarHBondContact O-N 2.68Å
720	E	27.6	Very low	31.8	Very low	165 Å²	165	134.7 Å²	134.7	77%	0.771	71%	0.706	S	S	*	*			trans	-75.8	143.9	159.3	-68	-167.1	169.7	0	0	108.3	R718 M722	R718-E720 VanDerWaalsContact C-N 3.35Å; R718-E720 PolarHBondContact O-N 3.45Å; E720-M722 PolarHBondContact O-N 3.35Å; E720-M722 VanDerWaalsContact O-N 3.11Å
721	P	31.1	Very low	31.7	Very low	123 Å²	123	131.1 Å²	131.1	80%	0.799	70%	0.698	S	S	*	*			trans	-55.2	120.9	177.5	21.3	-30.5	0	0	0	109.5	T723	P721-T723 PolarHBondContact O-N 2.82Å
722	M	31.6	Very low	31.4	Very low	134 Å²	134	131.4 Å²	131.4	66%	0.66	69%	0.693	S	S	*	*			trans	-56.5	107.6	-171.1	-167.9	-172.5	-84.3	0	0	111.1	E720 V724	E720-M722 PolarHBondContact O-N 3.35Å; E720-M722 VanDerWaalsContact O-N 3.11Å; M722-V724 PolarHBondContact O-N 3.43Å
723	T	27.6	Very low	31.2	Very low	127 Å²	127	129 Å²	129	78%	0.779	69%	0.686	S	S	*	*			trans	-67.1	125.1	162.7	-40.5	0	0	0	0	107.4	P721	P721-T723 PolarHBondContact O-N 2.82Å
724	V	26.8	Very low	31.1	Very low	124 Å²	124	127.5 Å²	127.5	75%	0.752	68%	0.675	S	S	*	*			trans	-48.7	122	-178.5	-175.9	0	0	0	0	109.4	M722 T726	M722-V724 PolarHBondContact O-N 3.43Å; V724-T726 PolarHBondContact O-N 2.81Å
725	P	32	Very low	31.1	Very low	101 Å²	101	126.4 Å²	126.4	66%	0.656	66%	0.664	S	S	*	*			trans	-63.3	104.5	-172.4	-21.4	31.2	0	0	0	111.5	R727	P725-R727 PolarHBondContact O-N 3.47Å; P725-R727 VanDerWaalsContact O-N 3.16Å
726	T	31.2	Very low	31.5	Very low	135 Å²	135	125.9 Å²	125.9	83%	0.828	66%	0.657	S	S	*	*			trans	-68.4	107.9	164.4	34	0	0	0	0	108.9	V724	V724-T726 PolarHBondContact O-N 2.81Å
727	R	33.2	Very low	31.9	Very low	239 Å²	239	118.9 Å²	118.9	90%	0.902	63%	0.628	S	S	*	*	S	Bend	trans	54.1	79.1	159.8	-66	-177.1	169.6	-178.3	-2.5	116.1	P725	P725-R727 PolarHBondContact O-N 3.47Å; P725-R727 VanDerWaalsContact O-N 3.16Å
728	Q	29.5	Very low	32.3	Very low	147 Å²	147	113.8 Å²	113.8	69%	0.687	61%	0.614	S	S	*	*			trans	-161.5	137.1	131.8	-70.9	-153.1	-17.4	0	0	109.5	Y730	Q728-Y730 HydrophobicContact CB-CD2 4.34Å; Q728-Y730 HydrophobicContact CB-CE2 4.39Å; Q728-Y730 PolarHBondContact O-N 3.41Å; Q728-Y730 VanDerWaalsContact O-N 3.13Å
729	P	30.8	Very low	32.2	Very low	135 Å²	135	108.9 Å²	108.9	88%	0.877	60%	0.595	S	S	*	*			trans	-88.6	77.2	-175.5	36.2	-30.8	0	0	0	110
730	Y	31	Very low	32.2	Very low	168 Å²	168	105.2 Å²	105.2	66%	0.659	57%	0.569	S	S	*	*			trans	-91.8	126.7	156.4	-69.1	-76.1	0	0	0	107.5	Q728 V732	Q728-Y730 HydrophobicContact CB-CD2 4.34Å; Q728-Y730 HydrophobicContact CB-CE2 4.39Å; Q728-Y730 PolarHBondContact O-N 3.41Å; Q728-Y730 VanDerWaalsContact O-N 3.13Å; Y730-V732 PolarHBondContact O-N 3.46Å
731	S	32.5	Very low	32.3	Very low	82 Å²	82	99.9 Å²	99.9	57%	0.573	55%	0.553	S	S	*	*			trans	-68.7	83.7	172.8	-170.9	0	0	0	0	108.5
732	V	30.5	Very low	32.1	Very low	68 Å²	68	95.9 Å²	95.9	41%	0.412	53%	0.534	S	S	.	.			trans	-80.4	115.1	173.7	161	0	0	0	0	107.1	T699 Y730 P734	T699-V732 HydrophobicContact CG2-CB 3.95Å; T699-V732 HydrophobicContact CG2-CG1 3.25Å; T699-V732 HydrophobicContact CG2-CG2 3.68Å; T699-V732 WeakPolarHBondContact OG1-CG1 3.35Å; Y730-V732 PolarHBondContact O-N 3.46Å; V732-P734 VanDerWaalsContact O-CD 3.25Å; V732-P734 WeakPolarHBondContact O-CD 3.25Å
733	V	40.4	Very low	31.9	Very low	43 Å²	43	91.3 Å²	91.3	26%	0.261	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	107	173.4	-171	0	0	0	0	109.4	P368 F700 V735	P368-V733 HydrophobicContact CB-CG1 3.65Å; P368-V733 HydrophobicContact CG-CG1 3.59Å; F700-V733 PolarHBondContact N-O 3.25Å; V733-V735 PolarHBondContact O-N 3.1Å
734	P	30.6	Very low	32.2	Very low	66 Å²	66	89.8 Å²	89.8	43%	0.429	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	118.9	175	28.5	-32.4	0	0	0	109.9	F697 K698 V732	F697-P734 HydrophobicContact CB-CB 4.21Å; F697-P734 HydrophobicContact CD1-CB 3.92Å; F697-P734 HydrophobicContact CG-CB 4.37Å; K698-P734 WeakPolarHBondContact O-CA 3.22Å; V732-P734 VanDerWaalsContact O-CD 3.25Å; V732-P734 WeakPolarHBondContact O-CD 3.25Å
735	V	38.9	Very low	32.3	Very low	20 Å²	20	86 Å²	86	12%	0.121	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.7	170.1	176.6	0	0	0	0	108.9	P368 K698 F700 V733 E737	P368-V735 HydrophobicContact CG-CG2 3.5Å; K698-V735 PolarHBondContact N-O 3.21Å; K698-V735 PolarHBondContact O-N 3Å; F700-V735 HydrophobicContact CD2-CB 3.95Å; F700-V735 HydrophobicContact CD2-CG2 3.45Å; F700-V735 VanDerWaalsContact CD2-CG2 3.45Å; F700-V735 HydrophobicContact CE2-CB 3.62Å; F700-V735 HydrophobicContact CE2-CG1 4.26Å; F700-V735 HydrophobicContact CE2-CG2 3.5Å; F700-V735 VanDerWaalsContact CE2-CG2 3.5Å; V733-V735 PolarHBondContact O-N 3.1Å; V735-E737 PolarHBondContact O-N 3.29Å; V735-E737 VanDerWaalsContact O-N 3.16Å
736	V	37.1	Very low	32.5	Very low	84 Å²	84	86.7 Å²	86.7	51%	0.509	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	97.4	167.1	-178.6	0	0	0	0	107.8	F695 F697	F695-V736 HydrophobicContact CB-CG1 3.64Å; F695-V736 HydrophobicContact CD2-CG1 4.27Å; F695-V736 HydrophobicContact CG-CG1 4.01Å; F697-V736 HydrophobicContact CD1-CG2 3.85Å; F697-V736 HydrophobicContact CE1-CG2 3.42Å; F697-V736 VanDerWaalsContact CE1-CG2 3.42Å; F697-V736 HydrophobicContact CZ-CG2 4.31Å
737	E	39.2	Very low	32.3	Very low	56 Å²	56	82.6 Å²	82.6	26%	0.262	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	120.7	155.3	-78.6	-178	-166.8	0	0	106.7	T696 K698 V735 R739	T696-E737 PolarHBondContact N-O 3.05Å; T696-E737 PolarHBondContact O-N 3.49Å; K698-E737 WeakPolarHBondContact CE-OE2 3.41Å; K698-E737 VanDerWaalsContact NZ-CD 3.32Å; K698-E737 IonicContact NZ-OE1 3.64Å; K698-E737 PolarHBondContact NZ-OE1 2.97Å; K698-E737 IonicContact NZ-OE2 3.26Å; K698-E737 PolarHBondContact NZ-OE2 2.84Å; V735-E737 PolarHBondContact O-N 3.29Å; V735-E737 VanDerWaalsContact O-N 3.16Å; E737-R739 HydrophobicContact CB-CG 4.41Å; E737-R739 PolarHBondContact O-N 3.05Å
738	A	36.3	Very low	32	Very low	57 Å²	57	74.5 Å²	74.5	47%	0.471	43%	0.433	S	S	.	.			trans	-62.8	75.2	165.5	0	0	0	0	0	109	S740 P748	A738-S740 VanDerWaalsContact C-N 3.3Å; A738-S740 PolarHBondContact O-N 3.33Å; A738-P748 HydrophobicContact CB-CB 3.91Å; A738-P748 HydrophobicContact CB-CG 4.19Å
739	R	28.8	Very low	32	Very low	124 Å²	124	70 Å²	70	47%	0.468	41%	0.411	S	S	.	.			trans	-76.5	86	176.3	-94.6	-173.3	163.7	179.8	-4.4	108.6	E737	E737-R739 HydrophobicContact CB-CG 4.41Å; E737-R739 PolarHBondContact O-N 3.05Å
740	S	29	Very low	31.7	Very low	11 Å²	11	64.5 Å²	64.5	8%	0.077	37%	0.374	C	S	.	.			trans	-111.6	106.1	166.8	-121.2	0	0	0	0	106.6	A738 G742 E749 L750	A738-S740 VanDerWaalsContact C-N 3.3Å; A738-S740 PolarHBondContact O-N 3.33Å; S740-G742 PolarHBondContact O-N 3.26Å; S740-E749 CarbonylContact C-O 3.49Å; S740-E749 WeakPolarHBondContact CB-O 3.21Å; S740-E749 PolarHBondContact OG-N 3.34Å; S740-E749 PolarHBondContact OG-O 2.67Å; S740-L750 WeakPolarHBondContact OG-CA 3.33Å; S740-L750 PolarHBondContact OG-N 3.22Å
741	A	30.4	Very low	31.3	Very low	53 Å²	53	59.5 Å²	59.5	44%	0.438	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	67.3	-161.8	0	0	0	0	0	112	T751	A741-T751 WeakPolarHBondContact CB-O 3.37Å; A741-T751 VanDerWaalsContact O-CB 3.29Å; A741-T751 WeakPolarHBondContact O-CB 3.41Å; A741-T751 PolarHBondContact O-OG1 2.94Å; A741-T751 VanDerWaalsContact O-OG1 3.12Å
742	G	27.3	Very low	31.1	Very low	39 Å²	39	60.2 Å²	60.2	40%	0.402	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	148.1	51.2	167	0	0	0	0	0	115.9	S740 T751	S740-G742 PolarHBondContact O-N 3.26Å; G742-T751 VanDerWaalsContact C-OG1 3.3Å; G742-T751 WeakPolarHBondContact CA-OG1 3.37Å; G742-T751 PolarHBondContact N-OG1 3.47Å; G742-T751 PolarHBondContact O-OG1 3.34Å
743	S	26.7	Very low	30.7	Very low	38 Å²	38	64.6 Å²	64.6	27%	0.266	37%	0.374	S	S	.	.			trans	-158.4	151.2	141.8	-164.7	0	0	0	0	108.9	D745	S743-D745 PolarHBondContact O-N 2.93Å
744	I	33.6	Very low	30	Very low	95 Å²	95	67.3 Å²	67.3	49%	0.487	39%	0.391	S	S	.	.			trans	-83.2	27.4	-165	-58.9	153.7	0	0	0	111.1	Q452	Q452-I744 VanDerWaalsContact NE2-CD1 3.34Å
745	D	29	Very low	29.7	Very low	44 Å²	44	70.6 Å²	70.6	24%	0.235	41%	0.414	C	S	.	.	S	Bend	trans	-110.6	143.4	-170.1	-78.5	-67.1	0	0	0	113.8	R437 S743 A747	R437-D745 IonicContact NH1-OD1 3.75Å; R437-D745 PolarHBondContact NH1-OD1 3.36Å; S743-D745 PolarHBondContact O-N 2.93Å; D745-A747 PolarHBondContact O-N 3.43Å
746	I	35.9	Very low	28.9	Very low	117 Å²	117	71.6 Å²	71.6	60%	0.6	43%	0.427	S	S	*	.	S	Bend	trans	-66.5	16.9	179.9	-63.7	163.9	0	0	0	111.7	P498	P498-I746 HydrophobicContact CB-CD1 4.44Å; P498-I746 HydrophobicContact CB-CG1 4.28Å
747	A	28.2	Very low	28.3	Very low	48 Å²	48	72.9 Å²	72.9	40%	0.397	44%	0.44	S	S	.	.	S	Bend	trans	-133.2	135.2	168.7	0	0	0	0	0	109.2	D745 E749	D745-A747 PolarHBondContact O-N 3.43Å; A747-E749 PolarHBondContact O-N 3.09Å
748	P	26.8	Very low	27.8	Very low	70 Å²	70	81.8 Å²	81.8	46%	0.455	47%	0.472	S	S	.	.			trans	-66.7	108.9	-171.6	22.3	-28.2	0	0	0	111.8	A738	A738-P748 HydrophobicContact CB-CB 3.91Å; A738-P748 HydrophobicContact CB-CG 4.19Å
749	E	28.3	Very low	27.4	Very low	51 Å²	51	83.6 Å²	83.6	24%	0.238	48%	0.481	C	S	.	.			trans	-105	115.7	165.3	-175.5	160.7	156.4	0	0	114.2	R443 S740 A747 T751	R443-E749 IonicContact CZ-OE2 2.72Å; R443-E749 IonicContact NE-OE2 3.99Å; R443-E749 IonicContact NH2-OE2 3.97Å; R443-E749 PolarHBondContact NH2-OE2 2.82Å; S740-E749 CarbonylContact C-O 3.49Å; S740-E749 WeakPolarHBondContact CB-O 3.21Å; S740-E749 PolarHBondContact OG-N 3.34Å; S740-E749 PolarHBondContact OG-O 2.67Å; A747-E749 PolarHBondContact O-N 3.09Å; E749-T751 PolarHBondContact O-N 2.72Å; E749-T751 VanDerWaalsContact O-N 3.14Å
750	L	26.1	Very low	27.3	Very low	20 Å²	20	85 Å²	85	11%	0.105	50%	0.497	C	S	.	.			trans	-72.1	100.9	-172.4	-86.2	156.9	0	0	0	111.4	T681 Q694 S740 I752	T681-L750 HydrophobicContact CG2-CD1 4.12Å; Q694-L750 HydrophobicContact CG-CD1 4.31Å; S740-L750 WeakPolarHBondContact OG-CA 3.33Å; S740-L750 PolarHBondContact OG-N 3.22Å; L750-I752 HydrophobicContact CD2-CD1 4.15Å; L750-I752 HydrophobicContact CD2-CG1 4.48Å
751	T	22.8	Very low	27.1	Very low	63 Å²	63	91.5 Å²	91.5	39%	0.387	53%	0.531	S	S	.	.			trans	-106.3	115.2	152	2.3	0	0	0	0	107.7	A741 G742 E749	A741-T751 WeakPolarHBondContact CB-O 3.37Å; A741-T751 VanDerWaalsContact O-CB 3.29Å; A741-T751 WeakPolarHBondContact O-CB 3.41Å; A741-T751 PolarHBondContact O-OG1 2.94Å; A741-T751 VanDerWaalsContact O-OG1 3.12Å; G742-T751 VanDerWaalsContact C-OG1 3.3Å; G742-T751 WeakPolarHBondContact CA-OG1 3.37Å; G742-T751 PolarHBondContact N-OG1 3.47Å; G742-T751 PolarHBondContact O-OG1 3.34Å; E749-T751 PolarHBondContact O-N 2.72Å; E749-T751 VanDerWaalsContact O-N 3.14Å
752	I	26.4	Very low	26.9	Very low	97 Å²	97	95.7 Å²	95.7	50%	0.497	55%	0.546	S	S	.	.			trans	-128.5	121.8	166	-66.3	177.9	0	0	0	106.4	R687 L750 V754	R687-I752 VanDerWaalsContact NH2-CG1 3.34Å; L750-I752 HydrophobicContact CD2-CD1 4.15Å; L750-I752 HydrophobicContact CD2-CG1 4.48Å; I752-V754 PolarHBondContact O-N 3.13Å
753	E	23.9	Very low	27	Very low	161 Å²	161	104.7 Å²	104.7	75%	0.752	57%	0.57	S	S	*	*			trans	-60.2	124.4	166	-81	178.6	131.3	0	0	110.1	C755	E753-C755 PolarHBondContact O-N 3.29Å
754	V	24.3	Very low	27.1	Very low	100 Å²	100	108.4 Å²	108.4	61%	0.606	59%	0.591	S	S	*	*			trans	-82.3	102.9	168.6	178.2	0	0	0	0	108.1	P685 I752 G756	P685-V754 HydrophobicContact CG-CG2 3.94Å; I752-V754 PolarHBondContact O-N 3.13Å; V754-G756 PolarHBondContact O-N 3.02Å
755	C	23.9	Very low	26.9	Very low	135 Å²	135	110.3 Å²	110.3	91%	0.912	61%	0.607	S	S	*	*			trans	-80.7	88.1	156.4	-74.1	0	0	0	0	108	E753	E753-C755 PolarHBondContact O-N 3.29Å
756	G	23.4	Very low	27.2	Very low	40 Å²	40	112.1 Å²	112.1	41%	0.412	62%	0.623	S	S	.	*			trans	-175	100	176.3	0	0	0	0	0	110	V754 W758	V754-G756 PolarHBondContact O-N 3.02Å; G756-W758 VanDerWaalsContact C-N 3.34Å; G756-W758 PolarHBondContact O-N 3.38Å
757	S	24.8	Very low	27.5	Very low	111 Å²	111	112.6 Å²	112.6	78%	0.776	64%	0.637	S	S	*	*			trans	-65.1	90.6	172.4	-179.2	0	0	0	0	109.2
758	W	26.9	Very low	28.1	Very low	243 Å²	243	113.2 Å²	113.2	92%	0.92	65%	0.648	S	S	*	*			trans	-94.8	91.6	157.4	-67	90.4	0	0	0	106.6	G756	G756-W758 VanDerWaalsContact C-N 3.34Å; G756-W758 PolarHBondContact O-N 3.38Å
759	S	28.2	Very low	28.8	Very low	95 Å²	95	115.2 Å²	115.2	66%	0.664	66%	0.655	S	S	*	*			trans	-54.4	136.4	166.1	-46.1	0	0	0	0	109.2
760	D	27.7	Very low	29.3	Very low	153 Å²	153	118.7 Å²	118.7	82%	0.818	67%	0.671	S	S	*	*			trans	9.2	108.3	163.9	-71.9	-31.1	0	0	0	117.1
761	N	25.2	Very low	30.2	Very low	148 Å²	148	120 Å²	120	79%	0.791	69%	0.689	S	S	*	*			trans	-143.4	96	144.1	-99	-25.3	0	0	0	109	Y763	N761-Y763 PolarHBondContact O-N 3.29Å
762	D	25.7	Very low	31.5	Very low	141 Å²	141	121.2 Å²	121.2	75%	0.754	70%	0.696	S	S	*	*			trans	24	82.5	143	-65	-22.1	0	0	0	116.8	V764	D762-V764 HydrophobicContact CB-CG2 4.46Å; D762-V764 PolarHBondContact O-N 2.69Å; D762-V764 VanDerWaalsContact O-N 3.11Å
763	Y	29.7	Very low	32.5	Very low	228 Å²	228	122 Å²	122	89%	0.894	70%	0.701	S	S	*	*			trans	-78.2	87.6	145	-88.9	-85.7	0	0	0	107.9	N761 T765	N761-Y763 PolarHBondContact O-N 3.29Å; Y763-T765 PolarHBondContact O-N 3.22Å; Y763-T765 VanDerWaalsContact O-N 3.16Å
764	V	28	Very low	33.6	Very low	116 Å²	116	121.8 Å²	121.8	70%	0.703	69%	0.694	S	S	*	*			trans	-40.6	117.2	165.1	175	0	0	0	0	109.3	D762 S766	D762-V764 HydrophobicContact CB-CG2 4.46Å; D762-V764 PolarHBondContact O-N 2.69Å; D762-V764 VanDerWaalsContact O-N 3.11Å; V764-S766 VanDerWaalsContact C-N 3.27Å; V764-S766 PolarHBondContact O-N 3.33Å
765	T	30.3	Very low	35.1	Very low	135 Å²	135	124.7 Å²	124.7	83%	0.828	70%	0.698	S	S	*	*			trans	-63.5	83.7	169.2	42.4	0	0	0	0	109.5	Y763 S767	Y763-T765 PolarHBondContact O-N 3.22Å; Y763-T765 VanDerWaalsContact O-N 3.16Å; T765-S767 PolarHBondContact O-N 2.58Å; T765-S767 VanDerWaalsContact O-N 3.11Å
766	S	33.7	Very low	36.4	Very low	83 Å²	83	121.4 Å²	121.4	58%	0.58	68%	0.676	S	S	*	*			trans	-71.8	104	164	56.1	0	0	0	0	108.1	V764 G768	V764-S766 VanDerWaalsContact C-N 3.27Å; V764-S766 PolarHBondContact O-N 3.33Å; S766-G768 PolarHBondContact O-N 2.68Å
767	S	43	Very low	37.5	Very low	126 Å²	126	123.5 Å²	123.5	88%	0.881	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	13.4	-174.3	51.2	0	0	0	0	116.1	T765	T765-S767 PolarHBondContact O-N 2.58Å; T765-S767 VanDerWaalsContact O-N 3.11Å
768	G	41.7	Very low	39	Very low	61 Å²	61	122.9 Å²	122.9	63%	0.629	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-24.5	178.7	0	0	0	0	0	115.4	S766	S766-G768 PolarHBondContact O-N 2.68Å
769	N	41	Very low	40.3	Very low	113 Å²	113	117 Å²	117	60%	0.604	65%	0.647	S	S	*	*	S	Bend	trans	-91.5	-5.3	-169.5	-78.7	-13.6	0	0	0	115.3	G771 T772 L773	N769-G771 VanDerWaalsContact C-N 3.28Å; N769-G771 PolarHBondContact O-N 3.15Å; N769-T772 PolarHBondContact O-N 3.03Å; N769-L773 PolarHBondContact O-N 3.28Å; N769-L773 VanDerWaalsContact O-N 3.13Å
770	E	38.5	Very low	41.2	Very low	124 Å²	124	115.1 Å²	115.1	58%	0.579	64%	0.637	S	S	*	*	H	α-helix	trans	-65.3	-33.2	179.7	-154.7	-167.9	151.1	0	0	111.8	R774	E770-R774 WeakPolarHBondContact O-CB 3.29Å; E770-R774 WeakPolarHBondContact O-CG 3.37Å; E770-R774 PolarHBondContact O-N 3.12Å; E770-R774 IonicContact OE1-CZ 3.46Å; E770-R774 IonicContact OE1-NE 3.84Å; E770-R774 PolarHBondContact OE1-NE 3.48Å; E770-R774 IonicContact OE1-NH2 2.78Å; E770-R774 PolarHBondContact OE1-NH2 3.45Å
771	G	45.4	Very low	42	Very low	46 Å²	46	113.7 Å²	113.7	47%	0.474	63%	0.627	S	S	.	*	H	α-helix	trans	-66.5	-42.1	178.2	0	0	0	0	0	113.2	N769 K775	N769-G771 VanDerWaalsContact C-N 3.28Å; N769-G771 PolarHBondContact O-N 3.15Å; G771-K775 PolarHBondContact O-N 3.03Å
772	T	49.3	Very low	43	Very low	89 Å²	89	111.5 Å²	111.5	55%	0.546	61%	0.612	S	S	.	*	H	α-helix	trans	-69.1	-44.1	178.4	-33.6	0	0	0	0	110.7	N769 K775 S776	N769-T772 PolarHBondContact O-N 3.03Å; T772-K775 PolarHBondContact O-N 3.43Å; T772-S776 PolarHBondContact O-N 2.82Å; T772-S776 PolarHBondContact O-OG 2.79Å
773	L	47	Very low	44	Very low	114 Å²	114	114.4 Å²	114.4	60%	0.597	62%	0.621	S	S	*	*	H	α-helix	trans	-62.2	-44.9	177	-166.3	79.5	0	0	0	111.4	N769 K775 S776 I777	N769-L773 PolarHBondContact O-N 3.28Å; N769-L773 VanDerWaalsContact O-N 3.13Å; L773-K775 PolarHBondContact O-N 3.11Å; L773-S776 PolarHBondContact O-N 3.36Å; L773-I777 HydrophobicContact CD2-CD1 4.31Å; L773-I777 HydrophobicContact CG-CD1 4.04Å; L773-I777 VanDerWaalsContact O-CG1 3.27Å; L773-I777 WeakPolarHBondContact O-CG1 3.27Å; L773-I777 PolarHBondContact O-N 2.97Å
774	R	48.3	Very low	44.3	Very low	157 Å²	157	109.8 Å²	109.8	59%	0.592	61%	0.608	S	S	*	*	H	α-helix	trans	-59.6	-44.4	174.9	-83.8	-174.4	-177.8	-136.2	4	112.3	E770 I777 I778	E770-R774 WeakPolarHBondContact O-CB 3.29Å; E770-R774 WeakPolarHBondContact O-CG 3.37Å; E770-R774 PolarHBondContact O-N 3.12Å; E770-R774 IonicContact OE1-CZ 3.46Å; E770-R774 IonicContact OE1-NE 3.84Å; E770-R774 PolarHBondContact OE1-NE 3.48Å; E770-R774 IonicContact OE1-NH2 2.78Å; E770-R774 PolarHBondContact OE1-NH2 3.45Å; R774-I777 PolarHBondContact O-N 3.4Å; R774-I778 VanDerWaalsContact O-CG1 3.26Å; R774-I778 WeakPolarHBondContact O-CG1 3.22Å; R774-I778 PolarHBondContact O-N 3.14Å
775	K	55.7	Low	44.6	Very low	160 Å²	160	109.6 Å²	109.6	70%	0.696	61%	0.607	S	S	*	*	H	α-helix	trans	-61	-45.5	176.1	-83.3	-173	176.3	-175.5	0	111.7	G771 T772 L773 I777 I778 Q779	G771-K775 PolarHBondContact O-N 3.03Å; T772-K775 PolarHBondContact O-N 3.43Å; L773-K775 PolarHBondContact O-N 3.11Å; K775-I777 VanDerWaalsContact C-N 3.33Å; K775-I777 PolarHBondContact O-N 2.82Å; K775-I778 PolarHBondContact O-N 3.09Å; K775-Q779 WeakPolarHBondContact O-CB 3.37Å; K775-Q779 PolarHBondContact O-N 3.25Å
776	S	50.5	Low	44.6	Very low	66 Å²	66	107.3 Å²	107.3	46%	0.462	59%	0.593	S	S	.	*	H	α-helix	trans	-64.2	-36	176.9	-64.3	0	0	0	0	112.8	T772 L773 A780	T772-S776 PolarHBondContact O-N 2.82Å; T772-S776 PolarHBondContact O-OG 2.79Å; L773-S776 PolarHBondContact O-N 3.36Å; S776-A780 WeakPolarHBondContact O-CB 3.46Å; S776-A780 PolarHBondContact O-N 3.11Å
777	I	46.8	Very low	44.5	Very low	84 Å²	84	109.9 Å²	109.9	43%	0.431	60%	0.598	S	S	.	*	H	α-helix	trans	-66.7	-47	173.9	-69.6	166.1	0	0	0	110.5	L773 R774 K775 Q779 A780 M781	L773-I777 HydrophobicContact CD2-CD1 4.31Å; L773-I777 HydrophobicContact CG-CD1 4.04Å; L773-I777 VanDerWaalsContact O-CG1 3.27Å; L773-I777 WeakPolarHBondContact O-CG1 3.27Å; L773-I777 PolarHBondContact O-N 2.97Å; R774-I777 PolarHBondContact O-N 3.4Å; K775-I777 VanDerWaalsContact C-N 3.33Å; K775-I777 PolarHBondContact O-N 2.82Å; I777-Q779 VanDerWaalsContact C-N 3.32Å; I777-Q779 PolarHBondContact O-N 3.43Å; I777-A780 CarbonylContact O-C 3.59Å; I777-A780 PolarHBondContact O-N 3.09Å; I777-A780 VanDerWaalsContact O-N 3.16Å; I777-M781 HydrophobicContact CG2-CG 4.32Å; I777-M781 HydrophobicContact CG2-SD 3.93Å; I777-M781 WeakPolarHBondContact O-CB 3.47Å; I777-M781 VanDerWaalsContact O-CG 3.26Å; I777-M781 WeakPolarHBondContact O-CG 3.24Å; I777-M781 PolarHBondContact O-N 2.9Å
778	I	57.1	Low	43.8	Very low	99 Å²	99	110.5 Å²	110.5	51%	0.508	59%	0.592	S	S	.	*	H	α-helix	trans	-60	-44.6	177.6	-68.6	164.1	0	0	0	110.5	R774 K775 A780 M781 Q782	R774-I778 VanDerWaalsContact O-CG1 3.26Å; R774-I778 WeakPolarHBondContact O-CG1 3.22Å; R774-I778 PolarHBondContact O-N 3.14Å; K775-I778 PolarHBondContact O-N 3.09Å; I778-A780 VanDerWaalsContact C-N 3.35Å; I778-A780 PolarHBondContact O-N 3.01Å; I778-M781 PolarHBondContact O-N 3.34Å; I778-M781 VanDerWaalsContact O-N 3.17Å; I778-Q782 WeakPolarHBondContact O-CG 3.16Å; I778-Q782 PolarHBondContact O-N 3.14Å; I778-Q782 VanDerWaalsContact O-N 3.13Å
779	Q	52.7	Low	43.4	Very low	119 Å²	119	114.3 Å²	114.3	56%	0.556	60%	0.598	S	S	*	*	H	α-helix	trans	-64.2	-38.5	176	-169.9	177.5	18	0	0	111.9	K775 I777 M781 Q782	K775-Q779 WeakPolarHBondContact O-CB 3.37Å; K775-Q779 PolarHBondContact O-N 3.25Å; I777-Q779 VanDerWaalsContact C-N 3.32Å; I777-Q779 PolarHBondContact O-N 3.43Å; Q779-M781 VanDerWaalsContact C-N 3.28Å; Q779-M781 PolarHBondContact O-N 3.16Å; Q779-Q782 PolarHBondContact O-N 3.17Å
780	A	47	Very low	42.8	Very low	56 Å²	56	117.6 Å²	117.6	46%	0.463	61%	0.61	S	S	.	*	H	α-helix	trans	-70.4	-23	174.9	0	0	0	0	0	113.4	S776 I777 I778	S776-A780 WeakPolarHBondContact O-CB 3.46Å; S776-A780 PolarHBondContact O-N 3.11Å; I777-A780 CarbonylContact O-C 3.59Å; I777-A780 PolarHBondContact O-N 3.09Å; I777-A780 VanDerWaalsContact O-N 3.16Å; I778-A780 VanDerWaalsContact C-N 3.35Å; I778-A780 PolarHBondContact O-N 3.01Å
781	M	46.5	Very low	42.4	Very low	123 Å²	123	117.8 Å²	117.8	61%	0.606	62%	0.619	S	S	*	*	H	α-helix	trans	-84.8	-16.7	175.5	-73.7	-179.4	70.6	0	0	113.3	I777 I778 Q779 E783	I777-M781 HydrophobicContact CG2-CG 4.32Å; I777-M781 HydrophobicContact CG2-SD 3.93Å; I777-M781 WeakPolarHBondContact O-CB 3.47Å; I777-M781 VanDerWaalsContact O-CG 3.26Å; I777-M781 WeakPolarHBondContact O-CG 3.24Å; I777-M781 PolarHBondContact O-N 2.9Å; I778-M781 PolarHBondContact O-N 3.34Å; I778-M781 VanDerWaalsContact O-N 3.17Å; Q779-M781 VanDerWaalsContact C-N 3.28Å; Q779-M781 PolarHBondContact O-N 3.16Å; M781-E783 PolarHBondContact O-N 2.9Å
782	Q	45	Very low	41.6	Very low	102 Å²	102	123.6 Å²	123.6	48%	0.477	64%	0.638	S	S	.	*			trans	-77.1	119.7	176.2	-74.9	173.5	-16.2	0	0	109.9	I778 Q779 Q784	I778-Q782 WeakPolarHBondContact O-CG 3.16Å; I778-Q782 PolarHBondContact O-N 3.14Å; I778-Q782 VanDerWaalsContact O-N 3.13Å; Q779-Q782 PolarHBondContact O-N 3.17Å; Q782-Q784 PolarHBondContact O-N 3.46Å
783	E	46.4	Very low	40.6	Very low	201 Å²	201	124.9 Å²	124.9	94%	0.939	65%	0.651	S	S	*	*	S	Bend	trans	-66.8	-11.4	178.5	-68.5	-174.7	159.6	0	0	113.4	M781	M781-E783 PolarHBondContact O-N 2.9Å
784	Q	37.1	Very low	39.6	Very low	132 Å²	132	122.1 Å²	122.1	62%	0.617	65%	0.65	S	S	*	*	S	Bend	trans	-137.5	130.8	177.2	-62.4	-171.9	-40.3	0	0	109.5	Q782 T786	Q782-Q784 PolarHBondContact O-N 3.46Å; Q784-T786 PolarHBondContact O-N 3.49Å
785	V	34.6	Very low	38.5	Very low	112 Å²	112	121.7 Å²	121.7	68%	0.679	67%	0.665	S	S	*	*			trans	-77.3	100.3	167.3	-179.7	0	0	0	0	107.2	I787	V785-I787 HydrophobicContact CG1-CG1 4.24Å
786	T	28.8	Very low	37.1	Very low	86 Å²	86	119.9 Å²	119.9	53%	0.528	67%	0.667	S	S	.	*			trans	-80.7	115	162.2	44.8	0	0	0	0	107.6	Q784 D788	Q784-T786 PolarHBondContact O-N 3.49Å; T786-D788 PolarHBondContact O-N 2.77Å
787	I	31.4	Very low	35.9	Very low	137 Å²	137	121.2 Å²	121.2	70%	0.703	68%	0.676	S	S	*	*			trans	-79.3	102.6	169.6	-57.5	173.9	0	0	0	105.4	V785 D789	V785-I787 HydrophobicContact CG1-CG1 4.24Å; I787-D789 PolarHBondContact O-N 2.91Å
788	D	29.2	Very low	35.2	Very low	139 Å²	139	123 Å²	123	74%	0.743	69%	0.694	S	S	*	*			trans	-80.1	112.3	171.4	-67.3	-32.2	0	0	0	108.4	T786 E790	T786-D788 PolarHBondContact O-N 2.77Å; D788-E790 PolarHBondContact O-N 3.16Å; D788-E790 VanDerWaalsContact O-N 3.11Å
789	D	33.7	Very low	33.8	Very low	141 Å²	141	127.7 Å²	127.7	75%	0.754	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	7.2	-176.6	-89.4	-33	0	0	0	115.3	I787	I787-D789 PolarHBondContact O-N 2.91Å
790	E	28.9	Very low	32.6	Very low	183 Å²	183	126.9 Å²	126.9	86%	0.855	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	14.4	-168.3	-94.8	-156	157.5	0	0	117.7	D788	D788-E790 PolarHBondContact O-N 3.16Å; D788-E790 VanDerWaalsContact O-N 3.11Å
791	V	28.5	Very low	31.6	Very low	128 Å²	128	128.4 Å²	128.4	78%	0.776	73%	0.733	S	S	*	*			trans	-128.7	57.2	173.4	-162	0	0	0	0	112.5
792	L	29.1	Very low	30.6	Very low	168 Å²	168	127.1 Å²	127.1	88%	0.88	74%	0.736	S	S	*	*			trans	-93.8	19	166.2	-98.8	162.1	0	0	0	113.5
793	S	27.8	Very low	29.8	Very low	116 Å²	116	128 Å²	128	81%	0.811	75%	0.751	S	S	*	*			trans	-122.3	54.5	175.1	61.4	0	0	0	0	112.6
794	G	27.2	Very low	28.7	Very low	55 Å²	55	124 Å²	124	57%	0.567	74%	0.744	S	S	*	*			trans	-129.8	93.7	168.4	0	0	0	0	0	109.5	V796	G794-V796 PolarHBondContact O-N 3.13Å
795	T	24.2	Very low	28	Very low	149 Å²	149	125.5 Å²	125.5	91%	0.914	76%	0.755	S	S	*	*			trans	-56.2	99.7	168.7	46.7	0	0	0	0	109.5
796	V	27.6	Very low	27.6	Very low	121 Å²	121	125.1 Å²	125.1	73%	0.733	75%	0.753	S	S	*	*			trans	-100.8	114.7	165.8	179.3	0	0	0	0	106.8	G794	G794-V796 PolarHBondContact O-N 3.13Å
797	S	24.1	Very low	27.2	Very low	95 Å²	95	129.7 Å²	129.7	66%	0.664	77%	0.768	S	S	*	*			trans	-57.3	149.6	179.4	-53.8	0	0	0	0	111.9	E799	S797-E799 PolarHBondContact O-N 2.86Å
798	P	33.3	Very low	26.9	Very low	122 Å²	122	131.2 Å²	131.2	79%	0.792	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-74	10.3	-162.1	-14.2	30	0	0	0	117
799	E	27.1	Very low	26.7	Very low	196 Å²	196	131.3 Å²	131.3	92%	0.916	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-91.6	4.7	-168.6	-77.9	-172.7	157.4	0	0	116.2	S797	S797-E799 PolarHBondContact O-N 2.86Å
800	S	26.4	Very low	26.6	Very low	103 Å²	103	130.1 Å²	130.1	72%	0.72	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-113.5	7.7	175.4	67.3	0	0	0	0	115.2
801	A	26.4	Very low	26.5	Very low	87 Å²	87	125.8 Å²	125.8	72%	0.719	77%	0.767	S	S	*	*			trans	-106.9	60.2	176.7	0	0	0	0	0	111
802	S	25.7	Very low	26.4	Very low	96 Å²	96	127.6 Å²	127.6	67%	0.671	77%	0.772	S	S	*	*	S	Bend	trans	-147.8	118.4	162.7	-74.6	0	0	0	0	108.1	C804	S802-C804 PolarHBondContact O-N 3.17Å; S802-C804 VanDerWaalsContact O-N 3.1Å
803	P	27.9	Very low	26.2	Very low	121 Å²	121	130.9 Å²	130.9	79%	0.786	77%	0.773	S	S	*	*			trans	-61.5	120.2	175.3	25.4	-30	0	0	0	107	L805	P803-L805 VanDerWaalsContact C-N 3.27Å; P803-L805 PolarHBondContact O-N 3.05Å
804	C	23.4	Very low	26.1	Very low	118 Å²	118	134.7 Å²	134.7	80%	0.797	78%	0.775	S	S	*	*			trans	-55.9	93.2	175.6	-58.7	0	0	0	0	109.4	S802 V806	S802-C804 PolarHBondContact O-N 3.17Å; S802-C804 VanDerWaalsContact O-N 3.1Å; C804-V806 HydrophobicContact CB-CG2 4.1Å; C804-V806 PolarHBondContact O-N 3.16Å
805	L	22.6	Very low	26.2	Very low	162 Å²	162	137.4 Å²	137.4	85%	0.848	79%	0.785	S	S	*	*			trans	-65.9	84	154.4	-87.1	162.2	0	0	0	105.5	P803 H807	P803-L805 VanDerWaalsContact C-N 3.27Å; P803-L805 PolarHBondContact O-N 3.05Å; L805-H807 VanDerWaalsContact C-N 3.31Å; L805-H807 PolarHBondContact O-N 2.82Å
806	V	25.8	Very low	26.3	Very low	104 Å²	104	141.4 Å²	141.4	63%	0.63	79%	0.785	S	S	*	*			trans	-68.5	100.4	167.3	-173.1	0	0	0	0	105.5	C804 M808	C804-V806 HydrophobicContact CB-CG2 4.1Å; C804-V806 PolarHBondContact O-N 3.16Å; V806-M808 HydrophobicContact CG1-CE 4.34Å; V806-M808 HydrophobicContact CG1-CG 4.3Å; V806-M808 PolarHBondContact O-N 3.28Å
807	H	21.9	Very low	26.2	Very low	183 Å²	183	142.9 Å²	142.9	85%	0.847	79%	0.789	S	S	*	*			trans	-52.5	104.9	160.6	-101.5	-91.8	0	0	0	107.1	L805	L805-H807 VanDerWaalsContact C-N 3.31Å; L805-H807 PolarHBondContact O-N 2.82Å
808	M	24.7	Very low	26.3	Very low	168 Å²	168	146.7 Å²	146.7	83%	0.828	80%	0.797	S	S	*	*			trans	-93.8	107.9	166.9	-74.4	-106.4	98.8	0	0	106.8	V806	V806-M808 HydrophobicContact CG1-CE 4.34Å; V806-M808 HydrophobicContact CG1-CG 4.3Å; V806-M808 PolarHBondContact O-N 3.28Å
809	D	23.3	Very low	25.9	Very low	142 Å²	142	148.7 Å²	148.7	76%	0.759	80%	0.8	S	S	*	*			trans	-56.6	139.3	171.4	-106.2	-28.5	0	0	0	110.4	S811	D809-S811 PolarHBondContact O-N 2.86Å
810	S	31.9	Very low	25.8	Very low	115 Å²	115	143.9 Å²	143.9	80%	0.804	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	23.7	-170.3	52.9	0	0	0	0	114.8
811	S	27.2	Very low	25.7	Very low	92 Å²	92	145.5 Å²	145.5	64%	0.643	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-19.9	-169.2	-40.3	0	0	0	0	115.5	D809 R813	D809-S811 PolarHBondContact O-N 2.86Å; S811-R813 PolarHBondContact O-N 3.16Å
812	D	26.1	Very low	25.6	Very low	166 Å²	166	146.2 Å²	146.2	89%	0.888	80%	0.8	S	S	*	*			trans	-97	64.3	-177	-75	-30	0	0	0	112.5
813	R	24.8	Very low	25.4	Very low	237 Å²	237	148.8 Å²	148.8	89%	0.894	81%	0.806	S	S	*	*			trans	-115.1	83.6	158.3	-80.2	-176.2	173.5	168.2	-1	108.5	S811	S811-R813 PolarHBondContact O-N 3.16Å
814	K	27.3	Very low	25.2	Very low	196 Å²	196	148.1 Å²	148.1	85%	0.852	80%	0.804	S	S	*	*			trans	-111.1	115.4	157.7	-86.3	-174.2	176.5	178.6	0	109.9
815	S	29.3	Very low	25.1	Very low	112 Å²	112	147.4 Å²	147.4	78%	0.783	80%	0.8	S	S	*	*			trans	-42.1	124.6	170.3	45.2	0	0	0	0	112.7	D817	S815-D817 PolarHBondContact O-N 2.85Å
816	Y	24.5	Very low	25.2	Very low	234 Å²	234	145 Å²	145	92%	0.918	80%	0.798	S	S	*	*			trans	-85.2	95	157.9	-84.4	-93.7	0	0	0	107.4
817	D	26.5	Very low	25	Very low	152 Å²	152	144.4 Å²	144.4	81%	0.813	80%	0.798	S	S	*	*			trans	-146.2	138.8	157.7	-108.6	-26.8	0	0	0	109.2	S815	S815-D817 PolarHBondContact O-N 2.85Å
818	E	26.8	Very low	25	Very low	175 Å²	175	143.7 Å²	143.7	82%	0.818	80%	0.799	S	S	*	*			trans	80.8	100.6	170.6	-55.5	-152.6	142.8	0	0	120.5
819	N	23.9	Very low	25	Very low	163 Å²	163	138.8 Å²	138.8	87%	0.872	79%	0.791	S	S	*	*				30.1	139	122.3	-74.5	-20.6	0	0	0	121.1
820	A	26.3	Very low	25	Very low	96 Å²	96	141.2 Å²	141.2	79%	0.793	80%	0.798	S	S	*	*			trans	116.4	99.4	151.1	0	0	0	0	0	115.3
821	T	22.8	Very low	24.6	Very low	137 Å²	137	143.7 Å²	143.7	84%	0.84	80%	0.797	S	S	*	*			trans	-46.8	124.4	147.1	46.8	0	0	0	0	112
822	S	24.4	Very low	24.4	Very low	102 Å²	102	145.6 Å²	145.6	71%	0.713	80%	0.804	S	S	*	*				157.8	127	111.3	61.7	0	0	0	0	111.8
823	D	22.3	Very low	24.5	Very low	150 Å²	150	143.4 Å²	143.4	80%	0.802	80%	0.802	S	S	*	*			trans	66.3	121.2	143.6	-62.6	-21	0	0	0	123
824	S	23.3	Very low	24.3	Very low	107 Å²	107	137.4 Å²	137.4	75%	0.748	80%	0.796	S	S	*	*				98.6	109.1	129.3	71	0	0	0	0	120.5
825	S	22.4	Very low	24.4	Very low	102 Å²	102	136 Å²	136	71%	0.713	80%	0.797	S	S	*	*				72.8	125.4	129.9	60.1	0	0	0	0	122.5
826	S	23.3	Very low	24.1	Very low	113 Å²	113	139 Å²	139	79%	0.79	80%	0.799	S	S	*	*			trans	70.1	148.2	148	74.8	0	0	0	0	117.3
827	S	22.2	Very low	24.2	Very low	91 Å²	91	137.8 Å²	137.8	64%	0.636	80%	0.799	S	S	*	*			cis	176.4	146.1	-14.3	51.2	0	0	0	0	105.5
828	I	22.7	Very low	24.1	Very low	168 Å²	168	135.1 Å²	135.1	86%	0.862	79%	0.792	S	S	*	*			trans	81	128.4	153	-61.6	155.4	0	0	0	120.2
829	G	24.8	Very low	24.2	Very low	65 Å²	65	131.7 Å²	131.7	67%	0.67	79%	0.787	S	S	*	*			trans	114.8	97.3	144.2	0	0	0	0	0	115.5
830	Q	21.6	Very low	24.6	Very low	192 Å²	192	132.4 Å²	132.4	90%	0.897	79%	0.79	S	S	*	*				80.6	139.7	78.5	-98	-172.3	-28.3	0	0	117.1
831	E	24.4	Very low	24.5	Very low	168 Å²	168	133.6 Å²	133.6	79%	0.785	79%	0.788	S	S	*	*			trans	84.4	107.2	166.1	-63.7	-176.7	171.9	0	0	118.2
832	T	21.8	Very low	24.7	Very low	131 Å²	131	134 Å²	134	80%	0.804	79%	0.785	S	S	*	*				69.2	109.3	67.7	63.9	0	0	0	0	116
833	S	28.4	Very low	25.2	Very low	121 Å²	121	141 Å²	141	85%	0.846	81%	0.813	S	S	*	*			trans	-164.5	116.6	139.1	60.2	0	0	0	0	111.9
834	S	22.3	Very low	25.4	Very low	110 Å²	110	140.6 Å²	140.6	77%	0.769	81%	0.813	S	S	*	*			trans	-71.3	144.5	169.2	47.7	0	0	0	0	113.3
835	L	28.2	Very low	25.5	Very low	166 Å²	166	142.4 Å²	142.4	87%	0.869	82%	0.817	S	S	*	*			trans	-135.2	113.6	159.7	-84.2	167.3	0	0	0	110.7
836	Q	22.4	Very low	25.7	Very low	175 Å²	175	144.6 Å²	144.6	82%	0.818	82%	0.823	S	S	*	*			trans	-81	144.7	168.3	-67.1	179.3	-66.7	0	0	110
837	F	27.1	Very low	25.8	Very low	210 Å²	210	146.5 Å²	146.5	92%	0.921	83%	0.825	S	S	*	*			trans	-136.2	114.3	152.9	-97.7	-82.1	0	0	0	109.9
838	S	25.6	Very low	26	Very low	96 Å²	96	149.9 Å²	149.9	67%	0.671	84%	0.836	S	S	*	*			trans	-102.6	148.1	177.5	51.4	0	0	0	0	111.1
839	S	28	Very low	26.3	Very low	102 Å²	102	148.7 Å²	148.7	71%	0.713	84%	0.835	S	S	*	*			trans	58.3	114.4	145.5	65.9	0	0	0	0	119.9
840	L	32.1	Very low	26.4	Very low	179 Å²	179	154.7 Å²	154.7	94%	0.937	85%	0.846	S	S	*	*			trans	-138.8	97.8	143.7	-106.2	150.9	0	0	0	107.8
841	V	25.4	Very low	26.7	Very low	121 Å²	121	151.8 Å²	151.8	73%	0.733	84%	0.842	S	S	*	*			trans	-112.9	145.1	164.5	170.1	0	0	0	0	105.3
842	D	25.7	Very low	26.9	Very low	145 Å²	145	150.5 Å²	150.5	78%	0.775	85%	0.847	S	S	*	*			trans	88.8	90.6	176.3	-58.3	-27.6	0	0	0	117.9
843	L	36.2	Very low	27.4	Very low	250 Å²	250	152.3 Å²	152.3	100%	1.309	85%	0.851	S	S	*	*				-167.5	0	116.1	-104.7	158.4	0	0	0	111.5

Retrieved 843 of 843 residues in 1365.6 ms (Link to these results)

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