A0A077YVQ7_TRITR Loading...

Leucine Rich Repeat family protein

AlphaFold DB , UniProt , Accession A0A077YVQ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 694 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	24.3	Very low	33.8	Very low	231 Å²	231	127.3 Å²	127.3	100%	1.138	68%	0.681	S	S	*	*				0	7.3	0	-115.1	-173.3	-160.6	0	0	113.8
2	F	30.3	Very low	34.9	Very low	217 Å²	217	122.6 Å²	122.6	95%	0.952	66%	0.66	S	S	*	*			trans	-137.8	101.1	158.7	-81.4	-83.2	0	0	0	106.6
3	G	29.5	Very low	35.3	Very low	72 Å²	72	124.4 Å²	124.4	74%	0.742	65%	0.652	S	S	*	*	S	Bend	trans	-160.8	-2.8	-179.4	0	0	0	0	0	113.2
4	H	30.5	Very low	35.7	Very low	166 Å²	166	125.1 Å²	125.1	77%	0.769	65%	0.647	S	S	*	*	S	Bend	trans	-129.4	133.1	170.4	-80.5	-80.7	0	0	0	107.4
5	H	32.2	Very low	36.6	Very low	170 Å²	170	126.1 Å²	126.1	79%	0.787	65%	0.646	S	S	*	*			trans	74.1	63.1	-179.1	-60.2	-77.2	0	0	0	117.1	N7	H5-N7 PolarHBondContact O-N 2.87Å
6	L	34.7	Very low	37.4	Very low	112 Å²	112	122.6 Å²	122.6	59%	0.586	62%	0.624	S	S	*	*			trans	-80.8	98.6	144.3	-72.6	160.7	0	0	0	106.5	T10 V11	L6-T10 HydrophobicContact CD2-CG2 3.31Å; L6-V11 HydrophobicContact CB-CG2 4.27Å
7	N	34.6	Very low	37.7	Very low	112 Å²	112	123.1 Å²	123.1	60%	0.599	63%	0.627	S	S	*	*			trans	-53.7	144.4	165.7	-75.4	-25.5	0	0	0	108.5	H5 H9 T10	H5-N7 PolarHBondContact O-N 2.87Å; N7-H9 PolarHBondContact O-N 3.23Å; N7-T10 PolarHBondContact O-N 3.41Å; N7-T10 PolarHBondContact O-OG1 3Å
8	G	37.5	Very low	37.8	Very low	46 Å²	46	124.4 Å²	124.4	47%	0.474	64%	0.635	S	S	.	*	H	α-helix	trans	-45.1	-30.5	-173.1	0	0	0	0	0	115.5	T10 V11 V12	G8-T10 VanDerWaalsContact C-N 3.26Å; G8-T10 PolarHBondContact O-N 3.17Å; G8-V11 PolarHBondContact O-N 3.45Å; G8-V12 WeakPolarHBondContact O-CG2 3.25Å; G8-V12 PolarHBondContact O-N 3.09Å; G8-V12 VanDerWaalsContact O-N 3.1Å
9	H	39.2	Very low	38.2	Very low	151 Å²	151	126.3 Å²	126.3	70%	0.699	64%	0.638	S	S	*	*	H	α-helix	trans	-57.6	-30.1	173	-71.7	-77.4	0	0	0	115.3	N7 R13	N7-H9 PolarHBondContact O-N 3.23Å; H9-R13 PolarHBondContact O-N 3.2Å
10	T	36.1	Very low	38.5	Very low	50 Å²	50	125.9 Å²	125.9	31%	0.307	63%	0.632	S	S	.	*	H	α-helix	trans	-85.8	-31.1	-177.8	-27.1	0	0	0	0	111.8	L6 N7 G8 V12 R13 F14	L6-T10 HydrophobicContact CD2-CG2 3.31Å; N7-T10 PolarHBondContact O-N 3.41Å; N7-T10 PolarHBondContact O-OG1 3Å; G8-T10 VanDerWaalsContact C-N 3.26Å; G8-T10 PolarHBondContact O-N 3.17Å; T10-V12 VanDerWaalsContact C-N 3.31Å; T10-R13 PolarHBondContact O-N 2.82Å; T10-F14 HydrophobicContact CG2-CD2 4.24Å; T10-F14 HydrophobicContact CG2-CE2 4.46Å; T10-F14 PolarHBondContact O-N 2.67Å
11	V	42.5	Very low	38.1	Very low	73 Å²	73	123.2 Å²	123.2	44%	0.442	64%	0.637	S	S	.	*	H	α-helix	trans	-64.9	-41.1	170.5	179.5	0	0	0	0	109.5	L6 G8 F14 F15	L6-V11 HydrophobicContact CB-CG2 4.27Å; G8-V11 PolarHBondContact O-N 3.45Å; V11-F14 PolarHBondContact O-N 3.09Å; V11-F15 HydrophobicContact CG1-CD2 4.35Å; V11-F15 PolarHBondContact O-N 3.2Å; V11-F15 VanDerWaalsContact O-N 3.09Å
12	V	47.7	Very low	38.5	Very low	71 Å²	71	120.7 Å²	120.7	43%	0.43	63%	0.626	S	S	.	*	H	α-helix	trans	-60.3	-51.5	170.7	177.8	0	0	0	0	110	G8 T10 F14 F15 F16	G8-V12 WeakPolarHBondContact O-CG2 3.25Å; G8-V12 PolarHBondContact O-N 3.09Å; G8-V12 VanDerWaalsContact O-N 3.1Å; T10-V12 VanDerWaalsContact C-N 3.31Å; V12-F14 PolarHBondContact O-N 3.19Å; V12-F15 PolarHBondContact O-N 2.93Å; V12-F16 HydrophobicContact CG1-CD2 4.08Å; V12-F16 HydrophobicContact CG1-CE2 3.65Å; V12-F16 HydrophobicContact CG1-CZ 4.46Å; V12-F16 WeakPolarHBondContact O-CD2 3.22Å; V12-F16 PolarHBondContact O-N 3.06Å
13	R	39.9	Very low	38.6	Very low	146 Å²	146	118 Å²	118	55%	0.551	62%	0.621	S	S	*	*	H	α-helix	trans	-58.6	-40.4	177.5	-90.7	-174.7	170.8	168	0.4	114.5	H9 T10 F16 I17 D45	H9-R13 PolarHBondContact O-N 3.2Å; T10-R13 PolarHBondContact O-N 2.82Å; R13-F16 PolarHBondContact O-N 2.97Å; R13-I17 PolarHBondContact O-N 3.22Å; R13-D45 IonicContact NH2-OD1 2.83Å; R13-D45 PolarHBondContact NH2-OD1 3Å
14	F	40.9	Very low	38.7	Very low	134 Å²	134	120.2 Å²	120.2	59%	0.588	62%	0.622	S	S	*	*	H	α-helix	trans	-71.5	-34.4	-178.7	-99.1	-82.4	0	0	0	113.5	T10 V11 V12 F16	T10-F14 HydrophobicContact CG2-CD2 4.24Å; T10-F14 HydrophobicContact CG2-CE2 4.46Å; T10-F14 PolarHBondContact O-N 2.67Å; V11-F14 PolarHBondContact O-N 3.09Å; V12-F14 PolarHBondContact O-N 3.19Å; F14-F16 PolarHBondContact O-N 3.28Å
15	F	49.3	Very low	38.7	Very low	141 Å²	141	119.3 Å²	119.3	62%	0.618	63%	0.628	S	S	*	*	H	α-helix	trans	-62.8	-32.2	173.4	-109.1	-86.6	0	0	0	112.2	V11 V12	V11-F15 HydrophobicContact CG1-CD2 4.35Å; V11-F15 PolarHBondContact O-N 3.2Å; V11-F15 VanDerWaalsContact O-N 3.09Å; V12-F15 PolarHBondContact O-N 2.93Å
16	F	49.4	Very low	38.8	Very low	70 Å²	70	114.9 Å²	114.9	31%	0.307	63%	0.629	S	S	.	*	H	α-helix	trans	-82.1	-38.3	-174.4	-79.7	-109.1	0	0	0	113.5	V12 R13 F14 L18 F19 F20 I39	V12-F16 HydrophobicContact CG1-CD2 4.08Å; V12-F16 HydrophobicContact CG1-CE2 3.65Å; V12-F16 HydrophobicContact CG1-CZ 4.46Å; V12-F16 WeakPolarHBondContact O-CD2 3.22Å; V12-F16 PolarHBondContact O-N 3.06Å; R13-F16 PolarHBondContact O-N 2.97Å; F14-F16 PolarHBondContact O-N 3.28Å; F16-L18 VanDerWaalsContact C-N 3.31Å; F16-L18 PolarHBondContact O-N 3.14Å; F16-F19 PolarHBondContact O-N 3.42Å; F16-F20 PolarHBondContact O-N 2.74Å; F16-I39 HydrophobicContact CE1-CD1 4.04Å; F16-I39 HydrophobicContact CE1-CG2 4.15Å; F16-I39 HydrophobicContact CZ-CD1 4.04Å
17	I	42.1	Very low	38.9	Very low	131 Å²	131	117.8 Å²	117.8	67%	0.672	64%	0.64	S	S	*	*	H	α-helix	trans	-68	-30.3	-179	-64.6	171.4	0	0	0	112.1	R13	R13-I17 PolarHBondContact O-N 3.22Å
18	L	39.5	Very low	39.4	Very low	147 Å²	147	119.7 Å²	119.7	77%	0.77	66%	0.655	S	S	*	*	H	α-helix	trans	-74	-25.1	179.5	-94.7	156	0	0	0	113.5	F16	F16-L18 VanDerWaalsContact C-N 3.31Å; F16-L18 PolarHBondContact O-N 3.14Å
19	F	44.8	Very low	40.2	Very low	159 Å²	159	120.8 Å²	120.8	70%	0.697	65%	0.65	S	S	*	*	H	α-helix	trans	-100.3	-26.3	-175.9	-92.6	-84.1	0	0	0	114.8	F16	F16-F19 PolarHBondContact O-N 3.42Å
20	F	44.3	Very low	41.3	Very low	118 Å²	118	119.3 Å²	119.3	52%	0.518	66%	0.657	S	S	.	*			trans	-130.3	106.7	-174.8	-69	-83	0	0	0	112.1	F16	F16-F20 PolarHBondContact O-N 2.74Å
21	G	31.9	Very low	43.2	Very low	71 Å²	71	120 Å²	120	73%	0.732	65%	0.653	S	S	*	*			trans	-66	144.9	171.6	0	0	0	0	0	111.9	L23	G21-L23 PolarHBondContact O-N 2.65Å
22	I	30.7	Very low	45.2	Very low	177 Å²	177	119 Å²	119	91%	0.908	65%	0.653	S	S	*	*			trans	-59.7	120.4	-177.9	-57.2	165.9	0	0	0	110.5
23	L	33.9	Very low	47.2	Very low	161 Å²	161	115.8 Å²	115.8	84%	0.843	63%	0.634	S	S	*	*			trans	-121.7	150.2	163.8	-84.5	166.8	0	0	0	110.8	G21	G21-L23 PolarHBondContact O-N 2.65Å
24	P	30.8	Very low	49.5	Very low	119 Å²	119	117.4 Å²	117.4	77%	0.773	64%	0.644	S	S	*	*			trans	-85.4	148.1	-160.7	3	16	0	0	0	113.7
25	T	30.4	Very low	51.9	Low	146 Å²	146	113.5 Å²	113.5	90%	0.896	64%	0.642	S	S	*	*			trans	-59.2	135.7	176.5	53.1	0	0	0	0	114
26	G	35.2	Very low	53.9	Low	78 Å²	78	107.3 Å²	107.3	80%	0.804	62%	0.617	S	S	*	*			trans	141.3	9.2	149.8	0	0	0	0	0	120.6
27	Q	36	Very low	55.8	Low	172 Å²	172	107.5 Å²	107.5	80%	0.804	62%	0.615	S	S	*	*			trans	-117.1	136.2	167.1	-78.1	-164.2	-27.6	0	0	111.7	N29	Q27-N29 VanDerWaalsContact C-N 3.31Å; Q27-N29 PolarHBondContact O-N 3.08Å; Q27-N29 PolarHBondContact O-OD1 3.17Å
28	V	45.7	Very low	58.1	Low	153 Å²	153	102.1 Å²	102.1	93%	0.927	59%	0.589	S	S	*	*			trans	-63.3	95.5	171.5	178.7	0	0	0	0	107.3	S30	V28-S30 PolarHBondContact O-N 3.47Å; V28-S30 VanDerWaalsContact O-N 3.1Å
29	N	53.2	Low	60.2	Low	69 Å²	69	95.9 Å²	95.9	37%	0.369	56%	0.556	S	S	.	*			trans	-62	108.3	-171.7	-78.9	-24.9	0	0	0	110.8	Q27 W31 A32	Q27-N29 VanDerWaalsContact C-N 3.31Å; Q27-N29 PolarHBondContact O-N 3.08Å; Q27-N29 PolarHBondContact O-OD1 3.17Å; N29-W31 HydrophobicContact CB-CD2 4.06Å; N29-W31 HydrophobicContact CB-CG 4.16Å; N29-W31 HydrophobicContact CB-CZ2 4.05Å; N29-W31 VanDerWaalsContact CB-NE1 3.28Å; N29-W31 WeakPolarHBondContact ND2-CZ2 3.19Å; N29-W31 PolarHBondContact O-N 3.41Å; N29-W31 PolarHBondContact OD1-NE1 2.68Å; N29-W31 VanDerWaalsContact OD1-NE1 3.13Å; N29-A32 HydrophobicContact CB-CB 4.44Å; N29-A32 WeakPolarHBondContact O-CB 3.03Å; N29-A32 PolarHBondContact O-N 2.93Å; N29-A32 VanDerWaalsContact O-N 3.09Å
30	S	64.1	Low	61.9	Low	119 Å²	119	94.5 Å²	94.5	83%	0.832	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-11	176.4	63.4	0	0	0	0	113.9	V28	V28-S30 PolarHBondContact O-N 3.47Å; V28-S30 VanDerWaalsContact O-N 3.1Å
31	W	74.2	Confident	63.6	Low	64 Å²	64	95 Å²	95	24%	0.242	56%	0.56	C	S	.	*	T	Hydrogen-bonded Turn	trans	-96.6	-9	-178.7	55.4	-91.3	0	0	0	113.6	N29 P60	N29-W31 HydrophobicContact CB-CD2 4.06Å; N29-W31 HydrophobicContact CB-CG 4.16Å; N29-W31 HydrophobicContact CB-CZ2 4.05Å; N29-W31 VanDerWaalsContact CB-NE1 3.28Å; N29-W31 WeakPolarHBondContact ND2-CZ2 3.19Å; N29-W31 PolarHBondContact O-N 3.41Å; N29-W31 PolarHBondContact OD1-NE1 2.68Å; N29-W31 VanDerWaalsContact OD1-NE1 3.13Å; W31-P60 HydrophobicContact CE3-CB 3.68Å; W31-P60 HydrophobicContact CE3-CG 3.66Å; W31-P60 HydrophobicContact CZ3-CB 3.84Å; W31-P60 HydrophobicContact CZ3-CG 3.89Å
32	A	84.7	Confident	65.4	Low	52 Å²	52	93.6 Å²	93.6	43%	0.43	54%	0.535	S	S	.	.	S	Bend	trans	-61	147.1	177.6	0	0	0	0	0	112	N29 K34	N29-A32 HydrophobicContact CB-CB 4.44Å; N29-A32 WeakPolarHBondContact O-CB 3.03Å; N29-A32 PolarHBondContact O-N 2.93Å; N29-A32 VanDerWaalsContact O-N 3.09Å; A32-K34 PolarHBondContact O-N 2.67Å
33	I	89.9	Confident	67.1	Low	5 Å²	5	90.3 Å²	90.3	3%	0.026	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-72.1	119.2	176.8	-60.1	-58.1	0	0	0	109.3	G35 C36 C58 P60 T70 K89 V90 A95	I33-G35 PolarHBondContact O-N 2.97Å; I33-G35 VanDerWaalsContact O-N 3.14Å; I33-C36 HydrophobicContact CB-CB 4.02Å; I33-C36 HydrophobicContact CG2-CB 3.62Å; I33-C36 PolarHBondContact O-N 2.83Å; I33-C36 VanDerWaalsContact O-O 3.05Å; I33-C58 HydrophobicContact CB-CB 3.99Å; I33-C58 HydrophobicContact CG1-CB 3.92Å; I33-C58 HydrophobicContact CG2-CB 4.21Å; I33-P60 HydrophobicContact CD1-CG 4.25Å; I33-P60 HydrophobicContact CG1-CG 4.11Å; I33-T70 HydrophobicContact CD1-CG2 4.19Å; I33-T70 HydrophobicContact CG1-CG2 3.85Å; I33-K89 HydrophobicContact CG2-CB 4.27Å; I33-V90 HydrophobicContact CG1-CG2 4.41Å; I33-V90 HydrophobicContact CG2-CG2 4.04Å; I33-A95 HydrophobicContact CD1-CB 3.66Å
34	K	89.7	Confident	68.7	Low	179 Å²	179	88.2 Å²	88.2	78%	0.778	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	122	-174.2	-173.8	179	178.9	-179.6	0	110.3	A32 C36 S93	A32-K34 PolarHBondContact O-N 2.67Å; K34-C36 VanDerWaalsContact C-N 3.25Å; K34-C36 PolarHBondContact O-N 2.79Å; K34-S93 PolarHBondContact N-OG 3.15Å
35	G	89.5	Confident	70	Confident	53 Å²	53	88 Å²	88	55%	0.546	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	5.9	178.8	0	0	0	0	0	114.6	I33 K89	I33-G35 PolarHBondContact O-N 2.97Å; I33-G35 VanDerWaalsContact O-N 3.14Å; G35-K89 WeakPolarHBondContact O-CD 3.47Å; G35-K89 WeakPolarHBondContact O-CE 3.35Å; G35-K89 PolarHBondContact O-NZ 3.25Å
36	C	91.7	Very high	71	Confident	11 Å²	11	86.3 Å²	86.3	7%	0.074	48%	0.481	C	S	.	.			trans	-115	128.3	169.1	-163.4	0	0	0	0	109.2	I33 K34 C58 K89	I33-C36 HydrophobicContact CB-CB 4.02Å; I33-C36 HydrophobicContact CG2-CB 3.62Å; I33-C36 PolarHBondContact O-N 2.83Å; I33-C36 VanDerWaalsContact O-O 3.05Å; K34-C36 VanDerWaalsContact C-N 3.25Å; K34-C36 PolarHBondContact O-N 2.79Å; C36-C58 HydrophobicContact CB-CB 3.6Å; C36-C58 WeakPolarHBondContact CB-SG 3.41Å; C36-C58 WeakPolarHBondContact SG-CB 3.23Å; C36-C58 PolarHBondContact SG-N 3.25Å; C36-C58 VanDerWaalsContact SG-N 3.37Å; C36-C58 CovalentContact SG-SG 2.03Å; C36-C58 PolarHBondContact SG-SG 3.34Å; C36-K89 HydrophobicContact CB-CB 4.07Å; C36-K89 HydrophobicContact CB-CD 3.96Å
37	R	89.7	Confident	71.5	Confident	74 Å²	74	92.2 Å²	92.2	28%	0.279	49%	0.488	S	S	.	.			trans	-72.5	151	178.4	-69.5	-175.4	-70	157	2.4	110.7	E42 E54 Y57 C58	R37-E42 IonicContact CZ-OE1 3.07Å; R37-E42 IonicContact NE-OE1 2.7Å; R37-E42 IonicContact NH1-OE1 3.19Å; R37-E42 PolarHBondContact NH1-OE1 2.71Å; R37-E42 IonicContact NH1-OE2 2.93Å; R37-E54 WeakPolarHBondContact CD-OE2 3.39Å; R37-E54 WeakPolarHBondContact CG-OE2 3.21Å; R37-E54 IonicContact CZ-OE2 2.87Å; R37-E54 IonicContact NE-OE2 3.61Å; R37-E54 PolarHBondContact NE-OE2 3.02Å; R37-E54 PolarHBondContact NH2-O 3.38Å; R37-Y57 HydrophobicContact CB-CD1 3.9Å; R37-Y57 HydrophobicContact CB-CE1 4.23Å; R37-Y57 CarbonylContact O-C 3.57Å; R37-Y57 WeakPolarHBondContact O-CA 3.45Å; R37-Y57 WeakPolarHBondContact O-CB 3.34Å; R37-C58 PolarHBondContact O-N 3.47Å
38	S	89.6	Confident	71.7	Confident	18 Å²	18	95 Å²	95	13%	0.126	49%	0.491	C	S	.	.			trans	-94.1	140	172.6	158.8	0	0	0	0	109.1	E40 N41 D59	S38-E40 VanDerWaalsContact C-N 3.25Å; S38-E40 PolarHBondContact O-N 3.44Å; S38-E40 PolarHBondContact OG-N 2.88Å; S38-N41 PolarHBondContact O-N 2.96Å; S38-D59 WeakPolarHBondContact CA-OD1 3.26Å; S38-D59 WeakPolarHBondContact CB-OD1 3.5Å; S38-D59 PolarHBondContact OG-OD1 3.29Å
39	I	85.1	Confident	71.6	Confident	15 Å²	15	90.8 Å²	90.8	8%	0.077	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-67.8	-27.6	-177.5	-157.3	177.2	0	0	0	112.2	F16 N41 E42 F44 Y57 D59 H73 L75	F16-I39 HydrophobicContact CE1-CD1 4.04Å; F16-I39 HydrophobicContact CE1-CG2 4.15Å; F16-I39 HydrophobicContact CZ-CD1 4.04Å; I39-N41 PolarHBondContact O-N 3.37Å; I39-E42 PolarHBondContact O-N 3.07Å; I39-F44 HydrophobicContact CD1-CZ 4.47Å; I39-F44 HydrophobicContact CG1-CE2 4.3Å; I39-F44 HydrophobicContact CG1-CZ 4Å; I39-Y57 HydrophobicContact CB-CD2 4.44Å; I39-Y57 HydrophobicContact CB-CG 4.06Å; I39-Y57 HydrophobicContact CD1-CD2 4.47Å; I39-Y57 HydrophobicContact CG1-CD2 4.12Å; I39-Y57 HydrophobicContact CG1-CG 4.21Å; I39-D59 WeakPolarHBondContact CB-OD2 3.38Å; I39-D59 WeakPolarHBondContact CG2-OD2 3.46Å; I39-D59 PolarHBondContact N-OD1 3.15Å; I39-D59 PolarHBondContact N-OD2 3.42Å; I39-D59 VanDerWaalsContact N-OD2 3.15Å; I39-H73 HydrophobicContact CD1-CB 4.17Å; I39-L75 HydrophobicContact CD1-CD1 4.25Å
40	E	80.8	Confident	71.3	Confident	131 Å²	131	93 Å²	93	61%	0.612	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-67.3	-24.1	179.5	-62.1	-175.4	162.6	0	0	112.8	S38 E42	S38-E40 VanDerWaalsContact C-N 3.25Å; S38-E40 PolarHBondContact O-N 3.44Å; S38-E40 PolarHBondContact OG-N 2.88Å; E40-E42 VanDerWaalsContact C-N 3.32Å
41	N	78.3	Confident	70.3	Confident	129 Å²	129	94.7 Å²	94.7	69%	0.69	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-87.4	-1.2	178.5	-66.2	-47.7	0	0	0	113	S38 I39	S38-N41 PolarHBondContact O-N 2.96Å; I39-N41 PolarHBondContact O-N 3.37Å
42	E	70.8	Confident	69.2	Low	41 Å²	41	94.3 Å²	94.3	19%	0.192	49%	0.493	C	S	.	.			trans	-89.3	124.2	178.8	-68.6	-68	149	0	0	111.2	R37 I39 E40 F44 Y57	R37-E42 IonicContact CZ-OE1 3.07Å; R37-E42 IonicContact NE-OE1 2.7Å; R37-E42 IonicContact NH1-OE1 3.19Å; R37-E42 PolarHBondContact NH1-OE1 2.71Å; R37-E42 IonicContact NH1-OE2 2.93Å; I39-E42 PolarHBondContact O-N 3.07Å; E40-E42 VanDerWaalsContact C-N 3.32Å; E42-F44 HydrophobicContact CB-CD2 4.42Å; E42-F44 HydrophobicContact CB-CE2 3.91Å; E42-F44 HydrophobicContact CB-CZ 3.96Å; E42-F44 PolarHBondContact O-N 3.48Å; E42-Y57 HydrophobicContact CG-CD1 4.06Å; E42-Y57 HydrophobicContact CG-CE1 3.34Å
43	D	65.2	Low	67.7	Low	107 Å²	107	97.1 Å²	97.1	57%	0.572	51%	0.51	S	S	*	.			trans	-90.7	95.7	173.6	-154	-12.7	0	0	0	109.4	D45	D43-D45 PolarHBondContact O-N 2.87Å
44	F	67.5	Low	66.4	Low	117 Å²	117	99.2 Å²	99.2	51%	0.513	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-7.3	-178.4	-65.7	-81.1	0	0	0	113.8	I39 E42 D46 L75	I39-F44 HydrophobicContact CD1-CZ 4.47Å; I39-F44 HydrophobicContact CG1-CE2 4.3Å; I39-F44 HydrophobicContact CG1-CZ 4Å; E42-F44 HydrophobicContact CB-CD2 4.42Å; E42-F44 HydrophobicContact CB-CE2 3.91Å; E42-F44 HydrophobicContact CB-CZ 3.96Å; E42-F44 PolarHBondContact O-N 3.48Å; F44-D46 VanDerWaalsContact C-N 3.31Å; F44-L75 HydrophobicContact CE1-CD1 3.92Å; F44-L75 HydrophobicContact CZ-CD1 3.99Å
45	D	59.2	Low	66.2	Low	115 Å²	115	91.1 Å²	91.1	62%	0.615	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-18.9	179.8	-71.3	-17.4	0	0	0	111.9	R13 D43 Q47	R13-D45 IonicContact NH2-OD1 2.83Å; R13-D45 PolarHBondContact NH2-OD1 3Å; D43-D45 PolarHBondContact O-N 2.87Å; D45-Q47 PolarHBondContact O-N 3.42Å
46	D	50.3	Low	66.4	Low	111 Å²	111	88.8 Å²	88.8	59%	0.594	46%	0.461	S	S	*	.			trans	-77.6	90.9	172.7	-93.7	-18.2	0	0	0	111	F44 R48	F44-D46 VanDerWaalsContact C-N 3.31Å; D46-R48 PolarHBondContact O-N 3.17Å
47	Q	47	Very low	66.6	Low	201 Å²	201	88.7 Å²	88.7	94%	0.939	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	9.8	170.4	-71.9	-167.9	-14	0	0	114.9	D45	D45-Q47 PolarHBondContact O-N 3.42Å
48	R	39.6	Very low	66.9	Low	232 Å²	232	85.3 Å²	85.3	88%	0.875	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-1.5	-172.3	-106.6	-178.9	179.2	179.1	0.3	116	D46 S50	D46-R48 PolarHBondContact O-N 3.17Å; R48-S50 VanDerWaalsContact C-N 3.29Å; R48-S50 PolarHBondContact O-N 3.28Å
49	S	43.9	Very low	67.1	Low	63 Å²	63	85.3 Å²	85.3	44%	0.441	45%	0.445	S	S	.	.			trans	-90.1	55.7	173.2	71.7	0	0	0	0	112.4	N51	S49-N51 PolarHBondContact O-N 2.93Å
50	S	46.9	Very low	67.5	Low	116 Å²	116	85.6 Å²	85.6	81%	0.811	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	14.9	173.1	68.6	0	0	0	0	114.5	R48	R48-S50 VanDerWaalsContact C-N 3.29Å; R48-S50 PolarHBondContact O-N 3.28Å
51	N	42.8	Very low	68	Low	155 Å²	155	81.4 Å²	81.4	83%	0.829	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.4	21.9	-173.1	-111	11.6	0	0	0	112.7	S49 S53	S49-N51 PolarHBondContact O-N 2.93Å; N51-S53 PolarHBondContact O-N 2.75Å
52	T	51.9	Low	68.2	Low	55 Å²	55	77.9 Å²	77.9	34%	0.337	42%	0.417	S	S	.	.			trans	-71.9	90.8	173.3	53.1	0	0	0	0	110	E54	T52-E54 PolarHBondContact O-N 3.05Å
53	S	53.2	Low	68.4	Low	111 Å²	111	83 Å²	83	78%	0.776	44%	0.441	S	S	*	.	S	Bend	trans	-63	-15	175.6	58.2	0	0	0	0	114	N51	N51-S53 PolarHBondContact O-N 2.75Å
54	E	61.9	Low	69.1	Low	50 Å²	50	86.2 Å²	86.2	23%	0.234	45%	0.453	C	S	.	.			trans	-106.1	102.8	172.5	-40.3	-176.1	132.7	0	0	109.3	R37 T52 K89	R37-E54 WeakPolarHBondContact CD-OE2 3.39Å; R37-E54 WeakPolarHBondContact CG-OE2 3.21Å; R37-E54 IonicContact CZ-OE2 2.87Å; R37-E54 IonicContact NE-OE2 3.61Å; R37-E54 PolarHBondContact NE-OE2 3.02Å; R37-E54 PolarHBondContact NH2-O 3.38Å; T52-E54 PolarHBondContact O-N 3.05Å; E54-K89 IonicContact OE1-NZ 2.65Å; E54-K89 PolarHBondContact OE1-NZ 3.27Å
55	A	84.8	Confident	69.9	Low	8 Å²	8	81.6 Å²	81.6	7%	0.066	43%	0.433	C	S	.	.			trans	-94	3.3	177.8	0	0	0	0	0	113.1	C74 L75	A55-C74 WeakPolarHBondContact O-CA 3.01Å; A55-L75 PolarHBondContact O-N 3.4Å
56	C	94.7	Very high	71	Confident	5 Å²	5	84 Å²	84	3%	0.034	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.2	172.4	-61.1	0	0	0	0	110.9	I72 H73 C74 T82 A86	C56-I72 HydrophobicContact CB-CG2 4.41Å; C56-H73 CarbonylContact C-O 3.39Å; C56-H73 WeakPolarHBondContact CA-O 3.17Å; C56-C74 HydrophobicContact CB-CB 4.15Å; C56-C74 WeakPolarHBondContact CB-SG 3.49Å; C56-C74 WeakPolarHBondContact SG-CB 3.43Å; C56-C74 CovalentContact SG-SG 2.04Å; C56-C74 PolarHBondContact SG-SG 3.42Å; C56-T82 PolarHBondContact SG-OG1 3.19Å; C56-A86 HydrophobicContact CB-CB 3.87Å
57	Y	94.9	Very high	72.7	Confident	9 Å²	9	84.3 Å²	84.3	4%	0.035	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	155.2	-177.4	-55.2	-83.9	0	0	0	110.4	R37 I39 E42 I72 H73 L75	R37-Y57 HydrophobicContact CB-CD1 3.9Å; R37-Y57 HydrophobicContact CB-CE1 4.23Å; R37-Y57 CarbonylContact O-C 3.57Å; R37-Y57 WeakPolarHBondContact O-CA 3.45Å; R37-Y57 WeakPolarHBondContact O-CB 3.34Å; I39-Y57 HydrophobicContact CB-CD2 4.44Å; I39-Y57 HydrophobicContact CB-CG 4.06Å; I39-Y57 HydrophobicContact CD1-CD2 4.47Å; I39-Y57 HydrophobicContact CG1-CD2 4.12Å; I39-Y57 HydrophobicContact CG1-CG 4.21Å; E42-Y57 HydrophobicContact CG-CD1 4.06Å; E42-Y57 HydrophobicContact CG-CE1 3.34Å; Y57-I72 CarbonylContact O-C 3.48Å; Y57-I72 VanDerWaalsContact O-CA 3.28Å; Y57-I72 WeakPolarHBondContact O-CA 3.4Å; Y57-H73 PolarHBondContact N-O 2.89Å; Y57-H73 PolarHBondContact O-N 2.81Å; Y57-L75 HydrophobicContact CD2-CD1 4.27Å; Y57-L75 HydrophobicContact CD2-CG 4.39Å; Y57-L75 HydrophobicContact CE2-CD1 3.75Å; Y57-L75 HydrophobicContact CE2-CG 4.13Å
58	C	96.3	Very high	74.7	Confident	2 Å²	2	79 Å²	79	1%	0.014	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	115.8	-179.3	-50.3	0	0	0	0	110.9	I33 C36 R37 T70 V71 V90	I33-C58 HydrophobicContact CB-CB 3.99Å; I33-C58 HydrophobicContact CG1-CB 3.92Å; I33-C58 HydrophobicContact CG2-CB 4.21Å; C36-C58 HydrophobicContact CB-CB 3.6Å; C36-C58 WeakPolarHBondContact CB-SG 3.41Å; C36-C58 WeakPolarHBondContact SG-CB 3.23Å; C36-C58 PolarHBondContact SG-N 3.25Å; C36-C58 VanDerWaalsContact SG-N 3.37Å; C36-C58 CovalentContact SG-SG 2.03Å; C36-C58 PolarHBondContact SG-SG 3.34Å; R37-C58 PolarHBondContact O-N 3.47Å; C58-T70 HydrophobicContact CB-CG2 3.97Å; C58-V71 WeakPolarHBondContact CA-O 3.49Å; C58-V90 HydrophobicContact CB-CG2 4.01Å
59	D	94.7	Very high	77.4	Confident	18 Å²	18	71 Å²	71	10%	0.096	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	111	-174.3	-66.3	-64.3	0	0	0	110.1	S38 I39 V71 H73	S38-D59 WeakPolarHBondContact CA-OD1 3.26Å; S38-D59 WeakPolarHBondContact CB-OD1 3.5Å; S38-D59 PolarHBondContact OG-OD1 3.29Å; I39-D59 WeakPolarHBondContact CB-OD2 3.38Å; I39-D59 WeakPolarHBondContact CG2-OD2 3.46Å; I39-D59 PolarHBondContact N-OD1 3.15Å; I39-D59 PolarHBondContact N-OD2 3.42Å; I39-D59 VanDerWaalsContact N-OD2 3.15Å; D59-V71 PolarHBondContact N-O 3.41Å; D59-V71 PolarHBondContact O-N 3.08Å; D59-H73 IonicContact OD2-CD2 3.85Å; D59-H73 PolarHBondContact OD2-CD2 3.43Å; D59-H73 IonicContact OD2-NE2 2.71Å
60	P	93.3	Very high	79.9	Confident	22 Å²	22	68.1 Å²	68.1	14%	0.143	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	137.2	172	-28.7	38.1	0	0	0	112.2	W31 I33 S62 R69	W31-P60 HydrophobicContact CE3-CB 3.68Å; W31-P60 HydrophobicContact CE3-CG 3.66Å; W31-P60 HydrophobicContact CZ3-CB 3.84Å; W31-P60 HydrophobicContact CZ3-CG 3.89Å; I33-P60 HydrophobicContact CD1-CG 4.25Å; I33-P60 HydrophobicContact CG1-CG 4.11Å; P60-S62 PolarHBondContact O-N 3.44Å; P60-R69 WeakPolarHBondContact CA-O 3.42Å
61	V	89.9	Confident	82.4	Confident	42 Å²	42	63.4 Å²	63.4	26%	0.255	33%	0.331	S	S	.	.	S	Bend	trans	-61.4	-45.7	-172.9	172.2	0	0	0	0	112.3	R69 V71 W98	V61-R69 HydrophobicContact CB-CB 4.47Å; V61-R69 HydrophobicContact CG2-CB 3.89Å; V61-R69 PolarHBondContact N-O 3.19Å; V61-V71 HydrophobicContact CG2-CG2 3.98Å; V61-W98 HydrophobicContact CG2-CE3 3.94Å; V61-W98 HydrophobicContact CG2-CZ3 4.39Å
62	S	84.2	Confident	85	Confident	56 Å²	56	56 Å²	56	39%	0.392	29%	0.292	S	S	.	.			trans	-156.9	160.5	172.5	79.8	0	0	0	0	110.5	P60 E64 D65	P60-S62 PolarHBondContact O-N 3.44Å; S62-E64 PolarHBondContact O-N 3.09Å; S62-E64 PolarHBondContact OG-N 2.9Å; S62-D65 PolarHBondContact O-N 3.1Å; S62-D65 WeakPolarHBondContact OG-CB 3.42Å; S62-D65 PolarHBondContact OG-N 2.98Å; S62-D65 VanDerWaalsContact OG-N 3.1Å
63	Q	74.8	Confident	87.1	Confident	148 Å²	148	54.3 Å²	54.3	69%	0.692	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-26	174.9	-169.9	176.2	7.9	0	0	112.6
64	E	80	Confident	89.1	Confident	174 Å²	174	49.1 Å²	49.1	81%	0.813	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	0.3	-177.6	-61.3	-179.5	174.3	0	0	113	S62 D66	S62-E64 PolarHBondContact O-N 3.09Å; S62-E64 PolarHBondContact OG-N 2.9Å; E64-D66 PolarHBondContact O-N 3.31Å
65	D	83.4	Confident	90.4	Very high	21 Å²	21	48.9 Å²	48.9	11%	0.112	24%	0.244	C	C	.	.			trans	-76.3	98.3	179.2	-171.2	60.9	0	0	0	110.5	S62 Q67 R68 R69	S62-D65 PolarHBondContact O-N 3.1Å; S62-D65 WeakPolarHBondContact OG-CB 3.42Å; S62-D65 PolarHBondContact OG-N 2.98Å; S62-D65 VanDerWaalsContact OG-N 3.1Å; D65-Q67 PolarHBondContact O-N 3.4Å; D65-R68 PolarHBondContact O-N 2.71Å; D65-R68 PolarHBondContact OD2-N 3.07Å; D65-R69 IonicContact OD1-CZ 2.67Å; D65-R69 IonicContact OD1-NE 2.72Å; D65-R69 PolarHBondContact OD1-NE 3.27Å; D65-R69 IonicContact OD1-NH2 3.72Å; D65-R69 PolarHBondContact OD1-NH2 3.47Å; D65-R69 WeakPolarHBondContact OD2-CB 3.39Å; D65-R69 VanDerWaalsContact OD2-CG 3.31Å; D65-R69 WeakPolarHBondContact OD2-CG 3.42Å; D65-R69 PolarHBondContact OD2-N 3.09Å; D65-R69 IonicContact OD2-NE 2.76Å; D65-R69 PolarHBondContact OD2-NE 2.87Å
66	D	81.8	Confident	90.4	Very high	164 Å²	164	54.2 Å²	54.2	88%	0.877	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-27.8	178.3	-72.7	-31.6	0	0	0	113.2	E64 R68	E64-D66 PolarHBondContact O-N 3.31Å; D66-R68 VanDerWaalsContact C-N 3.3Å
67	Q	86.2	Confident	90	Very high	119 Å²	119	56.6 Å²	56.6	56%	0.556	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.9	178.5	-65.6	-171.4	-11.9	0	0	113.6	D65 R69 I96	D65-Q67 PolarHBondContact O-N 3.4Å; Q67-R69 VanDerWaalsContact C-N 3.28Å; Q67-R69 HydrophobicContact CB-CG 3.99Å; Q67-R69 PolarHBondContact O-N 3.14Å; Q67-I96 HydrophobicContact CB-CD1 4.39Å; Q67-I96 WeakPolarHBondContact O-CD1 3.42Å
68	R	90.3	Very high	89.8	Confident	89 Å²	89	56.2 Å²	56.2	34%	0.336	29%	0.294	S	S	.	.			trans	51.2	45.9	-176	-57.6	-171.3	67.7	-149.8	-0.2	112.5	D65 D66 T70 S93 N94 A95 I96	D65-R68 PolarHBondContact O-N 2.71Å; D65-R68 PolarHBondContact OD2-N 3.07Å; D66-R68 VanDerWaalsContact C-N 3.3Å; R68-T70 PolarHBondContact O-OG1 2.87Å; R68-S93 PolarHBondContact NH1-O 3.44Å; R68-N94 PolarHBondContact NH1-O 3.06Å; R68-A95 HydrophobicContact CB-CB 4.18Å; R68-A95 WeakPolarHBondContact O-CB 3.26Å; R68-I96 PolarHBondContact O-N 3.35Å
69	R	95.9	Very high	89.5	Confident	65 Å²	65	57.8 Å²	57.8	25%	0.245	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	136.4	174.4	-68.4	178.6	-66.6	159.6	-1.6	109.9	P60 V61 D65 Q67 I96 W98	P60-R69 WeakPolarHBondContact CA-O 3.42Å; V61-R69 HydrophobicContact CB-CB 4.47Å; V61-R69 HydrophobicContact CG2-CB 3.89Å; V61-R69 PolarHBondContact N-O 3.19Å; D65-R69 IonicContact OD1-CZ 2.67Å; D65-R69 IonicContact OD1-NE 2.72Å; D65-R69 PolarHBondContact OD1-NE 3.27Å; D65-R69 IonicContact OD1-NH2 3.72Å; D65-R69 PolarHBondContact OD1-NH2 3.47Å; D65-R69 WeakPolarHBondContact OD2-CB 3.39Å; D65-R69 VanDerWaalsContact OD2-CG 3.31Å; D65-R69 WeakPolarHBondContact OD2-CG 3.42Å; D65-R69 PolarHBondContact OD2-N 3.09Å; D65-R69 IonicContact OD2-NE 2.76Å; D65-R69 PolarHBondContact OD2-NE 2.87Å; Q67-R69 VanDerWaalsContact C-N 3.28Å; Q67-R69 HydrophobicContact CB-CG 3.99Å; Q67-R69 PolarHBondContact O-N 3.14Å; R69-I96 CarbonylContact C-O 3.5Å; R69-W98 HydrophobicContact CB-CB 3.63Å; R69-W98 HydrophobicContact CB-CG 3.93Å; R69-W98 VanDerWaalsContact CD-CD1 3.48Å; R69-W98 HydrophobicContact CG-CB 3.88Å; R69-W98 HydrophobicContact CG-CG 3.97Å
70	T	97	Very high	89.4	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.8	-175.5	-54.6	0	0	0	0	109.6	I33 C58 R68 V90 I96 W98 S99	I33-T70 HydrophobicContact CD1-CG2 4.19Å; I33-T70 HydrophobicContact CG1-CG2 3.85Å; C58-T70 HydrophobicContact CB-CG2 3.97Å; R68-T70 PolarHBondContact O-OG1 2.87Å; T70-V90 HydrophobicContact CG2-CG1 4.21Å; T70-V90 HydrophobicContact CG2-CG2 3.89Å; T70-I96 PolarHBondContact N-O 2.98Å; T70-W98 PolarHBondContact O-N 3.25Å; T70-S99 PolarHBondContact O-N 2.83Å
71	V	97.6	Very high	89.4	Confident	17 Å²	17	61.9 Å²	61.9	10%	0.103	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	133.6	172	-170	0	0	0	0	108.7	C58 D59 V61 H73 W98 S99	C58-V71 WeakPolarHBondContact CA-O 3.49Å; D59-V71 PolarHBondContact N-O 3.41Å; D59-V71 PolarHBondContact O-N 3.08Å; V61-V71 HydrophobicContact CG2-CG2 3.98Å; V71-H73 VanDerWaalsContact CG1-CE1 3.4Å; V71-H73 WeakPolarHBondContact CG1-CE1 3.03Å; V71-H73 VanDerWaalsContact CG1-NE2 3.32Å; V71-H73 WeakPolarHBondContact CG1-NE2 3.05Å; V71-W98 HydrophobicContact CG2-CE3 4.17Å; V71-W98 HydrophobicContact CG2-CZ3 4.35Å; V71-S99 CarbonylContact C-O 3.5Å; V71-S99 WeakPolarHBondContact CA-O 3.45Å
72	I	97.9	Very high	89.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.1	171.6	-62.3	178.4	0	0	0	108.7	C56 Y57 L83 A86 M87 V90 V97 S99 I100 Q101	C56-I72 HydrophobicContact CB-CG2 4.41Å; Y57-I72 CarbonylContact O-C 3.48Å; Y57-I72 VanDerWaalsContact O-CA 3.28Å; Y57-I72 WeakPolarHBondContact O-CA 3.4Å; I72-L83 HydrophobicContact CG2-CD1 3.86Å; I72-A86 HydrophobicContact CD1-CB 4.2Å; I72-A86 HydrophobicContact CG2-CB 3.96Å; I72-M87 HydrophobicContact CD1-CB 4.36Å; I72-M87 HydrophobicContact CD1-CG 3.68Å; I72-V90 HydrophobicContact CD1-CG2 4.07Å; I72-V90 HydrophobicContact CG1-CG2 4.18Å; I72-V97 HydrophobicContact CD1-CB 4.48Å; I72-V97 HydrophobicContact CD1-CG1 3.7Å; I72-V97 HydrophobicContact CD1-CG2 3.97Å; I72-V97 HydrophobicContact CG1-CG1 4.24Å; I72-S99 PolarHBondContact N-O 3.36Å; I72-I100 HydrophobicContact CB-CG1 4.47Å; I72-Q101 PolarHBondContact O-N 3.25Å
73	H	95.7	Very high	90.1	Very high	20 Å²	20	58.9 Å²	58.9	9%	0.093	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.6	175.7	-57.2	-83	0	0	0	109.8	I39 C56 Y57 D59 V71 Q101	I39-H73 HydrophobicContact CD1-CB 4.17Å; C56-H73 CarbonylContact C-O 3.39Å; C56-H73 WeakPolarHBondContact CA-O 3.17Å; Y57-H73 PolarHBondContact N-O 2.89Å; Y57-H73 PolarHBondContact O-N 2.81Å; D59-H73 IonicContact OD2-CD2 3.85Å; D59-H73 PolarHBondContact OD2-CD2 3.43Å; D59-H73 IonicContact OD2-NE2 2.71Å; V71-H73 VanDerWaalsContact CG1-CE1 3.4Å; V71-H73 WeakPolarHBondContact CG1-CE1 3.03Å; V71-H73 VanDerWaalsContact CG1-NE2 3.32Å; V71-H73 WeakPolarHBondContact CG1-NE2 3.05Å; H73-Q101 CarbonylContact C-O 3.13Å; H73-Q101 WeakPolarHBondContact CA-O 3.44Å; H73-Q101 PolarHBondContact CE1-OE1 3.05Å; H73-Q101 PolarHBondContact ND1-OE1 2.03Å
74	C	94.9	Very high	91.1	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.007	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.5	173.2	-66.3	0	0	0	0	109.9	A55 C56 Q101 V102 G103 M105	A55-C74 WeakPolarHBondContact O-CA 3.01Å; C56-C74 HydrophobicContact CB-CB 4.15Å; C56-C74 WeakPolarHBondContact CB-SG 3.49Å; C56-C74 WeakPolarHBondContact SG-CB 3.43Å; C56-C74 CovalentContact SG-SG 2.04Å; C56-C74 PolarHBondContact SG-SG 3.42Å; C74-Q101 PolarHBondContact N-O 2.87Å; C74-V102 HydrophobicContact CB-CB 4.3Å; C74-V102 HydrophobicContact CB-CG1 4.02Å; C74-V102 CarbonylContact O-C 3.57Å; C74-V102 WeakPolarHBondContact O-CA 3.42Å; C74-G103 PolarHBondContact O-N 2.87Å; C74-M105 HydrophobicContact CB-SD 4.38Å
75	L	89.8	Confident	91.9	Very high	46 Å²	46	45.7 Å²	45.7	24%	0.241	25%	0.25	C	S	.	.			trans	-107.9	-176.4	-176.5	-56.3	-176.8	0	0	0	111.3	I39 F44 A55 Y57 G77 S78 G103	I39-L75 HydrophobicContact CD1-CD1 4.25Å; F44-L75 HydrophobicContact CE1-CD1 3.92Å; F44-L75 HydrophobicContact CZ-CD1 3.99Å; A55-L75 PolarHBondContact O-N 3.4Å; Y57-L75 HydrophobicContact CD2-CD1 4.27Å; Y57-L75 HydrophobicContact CD2-CG 4.39Å; Y57-L75 HydrophobicContact CE2-CD1 3.75Å; Y57-L75 HydrophobicContact CE2-CG 4.13Å; L75-G77 PolarHBondContact O-N 3.37Å; L75-S78 WeakPolarHBondContact O-CB 3.47Å; L75-S78 PolarHBondContact O-N 3.43Å; L75-S78 PolarHBondContact O-OG 3.39Å; L75-G103 CarbonylContact C-O 3.58Å; L75-G103 WeakPolarHBondContact CA-O 3.44Å
76	L	86.2	Confident	92.5	Very high	119 Å²	119	44.9 Å²	44.9	62%	0.623	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.8	134.9	174.3	176.7	64.2	0	0	0	111.8	S78 G103 E104	L76-S78 VanDerWaalsContact C-N 3.3Å; L76-G103 PolarHBondContact N-O 3.06Å; L76-E104 HydrophobicContact CB-CB 4.19Å; L76-E104 HydrophobicContact CD1-CB 3.93Å
77	G	84.5	Confident	93.3	Very high	56 Å²	56	37 Å²	37	58%	0.577	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.1	-4.2	-177.1	0	0	0	0	0	114	L75	L75-G77 PolarHBondContact O-N 3.37Å
78	S	91	Very high	93.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.197	C	C	.	.			trans	-71.2	150.9	168	59.4	0	0	0	0	111.5	L75 L76 T82 M105 D106	L75-S78 WeakPolarHBondContact O-CB 3.47Å; L75-S78 PolarHBondContact O-N 3.43Å; L75-S78 PolarHBondContact O-OG 3.39Å; L76-S78 VanDerWaalsContact C-N 3.3Å; S78-T82 WeakPolarHBondContact CA-OG1 3.43Å; S78-T82 WeakPolarHBondContact CB-OG1 3.29Å; S78-M105 WeakPolarHBondContact O-CG 3.5Å; S78-M105 WeakPolarHBondContact OG-CB 3.44Å; S78-M105 VanDerWaalsContact OG-CG 3.26Å; S78-M105 WeakPolarHBondContact OG-CG 3.22Å; S78-D106 PolarHBondContact O-N 3.04Å
79	T	91.6	Very high	94	Very high	35 Å²	35	34 Å²	34	22%	0.215	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-125.2	169.1	171.6	76.8	0	0	0	0	110.6	E81 T82 L83 D106	T79-E81 VanDerWaalsContact CB-OE2 3.25Å; T79-E81 WeakPolarHBondContact CB-OE2 3.28Å; T79-E81 PolarHBondContact O-N 2.71Å; T79-E81 PolarHBondContact OG1-N 3.02Å; T79-E81 PolarHBondContact OG1-OE2 2.99Å; T79-T82 PolarHBondContact N-OG1 3.32Å; T79-T82 PolarHBondContact O-N 3.14Å; T79-T82 PolarHBondContact O-OG1 3.32Å; T79-T82 PolarHBondContact OG1-N 3.36Å; T79-L83 PolarHBondContact O-N 3.39Å; T79-D106 WeakPolarHBondContact CA-O 3.48Å
80	V	92.1	Very high	94	Very high	18 Å²	18	30.9 Å²	30.9	11%	0.109	18%	0.181	C	C	.	.	H	α-helix	trans	-51.2	-37.8	172.5	-179	0	0	0	0	112	A84 F107 P113 F116	V80-A84 WeakPolarHBondContact O-CB 3.06Å; V80-A84 PolarHBondContact O-N 2.81Å; V80-F107 HydrophobicContact CG2-CD1 4.27Å; V80-P113 HydrophobicContact CG1-CG 4.06Å; V80-P113 HydrophobicContact CG2-CG 4.02Å; V80-F116 HydrophobicContact CG1-CD2 3.9Å; V80-F116 HydrophobicContact CG1-CE2 3.36Å; V80-F116 HydrophobicContact CG1-CZ 4.17Å
81	E	92.4	Very high	93.9	Very high	108 Å²	108	33.8 Å²	33.8	51%	0.505	19%	0.194	S	C	.	.	H	α-helix	trans	-69.3	-39	178	-62	69.7	-150.6	0	0	112.1	T79 L83 A84 G85	T79-E81 VanDerWaalsContact CB-OE2 3.25Å; T79-E81 WeakPolarHBondContact CB-OE2 3.28Å; T79-E81 PolarHBondContact O-N 2.71Å; T79-E81 PolarHBondContact OG1-N 3.02Å; T79-E81 PolarHBondContact OG1-OE2 2.99Å; E81-L83 VanDerWaalsContact C-N 3.35Å; E81-A84 PolarHBondContact O-N 2.92Å; E81-G85 PolarHBondContact O-N 2.98Å
82	T	94	Very high	93.8	Very high	36 Å²	36	37.3 Å²	37.3	22%	0.221	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-37.7	177.1	64	0	0	0	0	111.7	C56 S78 T79 G85 A86	C56-T82 PolarHBondContact SG-OG1 3.19Å; S78-T82 WeakPolarHBondContact CA-OG1 3.43Å; S78-T82 WeakPolarHBondContact CB-OG1 3.29Å; T79-T82 PolarHBondContact N-OG1 3.32Å; T79-T82 PolarHBondContact O-N 3.14Å; T79-T82 PolarHBondContact O-OG1 3.32Å; T79-T82 PolarHBondContact OG1-N 3.36Å; T82-G85 PolarHBondContact O-N 2.8Å; T82-A86 PolarHBondContact O-N 3.35Å
83	L	95.8	Very high	93.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.8	-44.6	173.3	173.2	58.1	0	0	0	111.2	I72 T79 E81 G85 A86 M87 I100 V102 M105 F116	I72-L83 HydrophobicContact CG2-CD1 3.86Å; T79-L83 PolarHBondContact O-N 3.39Å; E81-L83 VanDerWaalsContact C-N 3.35Å; L83-G85 VanDerWaalsContact C-N 3.32Å; L83-G85 PolarHBondContact O-N 3.31Å; L83-A86 PolarHBondContact O-N 3.41Å; L83-M87 HydrophobicContact CD1-CG 4.36Å; L83-M87 HydrophobicContact CG-CE 4.39Å; L83-M87 WeakPolarHBondContact O-CG 3.42Å; L83-M87 PolarHBondContact O-N 3.29Å; L83-I100 HydrophobicContact CD1-CG2 3.81Å; L83-I100 HydrophobicContact CD2-CG2 4.36Å; L83-V102 HydrophobicContact CD2-CG1 4.08Å; L83-M105 HydrophobicContact CB-SD 4.14Å; L83-M105 HydrophobicContact CD2-CE 4.05Å; L83-M105 HydrophobicContact CD2-SD 4.18Å; L83-F116 HydrophobicContact CB-CZ 4.42Å; L83-F116 HydrophobicContact CD2-CE1 3.61Å; L83-F116 HydrophobicContact CD2-CZ 3.76Å; L83-F116 HydrophobicContact CG-CE1 4.03Å; L83-F116 HydrophobicContact CG-CZ 3.89Å
84	A	96	Very high	93.5	Very high	16 Å²	16	43.9 Å²	43.9	13%	0.132	26%	0.262	C	S	.	.	H	α-helix	trans	-56.6	-46.3	173.5	0	0	0	0	0	111.9	V80 E81 A86 M87 E88 H120	V80-A84 WeakPolarHBondContact O-CB 3.06Å; V80-A84 PolarHBondContact O-N 2.81Å; E81-A84 PolarHBondContact O-N 2.92Å; A84-A86 PolarHBondContact O-N 2.87Å; A84-M87 HydrophobicContact CB-CE 4.48Å; A84-M87 PolarHBondContact O-N 2.78Å; A84-E88 PolarHBondContact O-N 2.04Å; A84-H120 WeakPolarHBondContact CB-NE2 3.45Å
85	G	95.8	Very high	93.4	Very high	29 Å²	29	44.3 Å²	44.3	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-60.8	-41.6	176.4	0	0	0	0	0	113.2	E81 T82 L83 E88 K89	E81-G85 PolarHBondContact O-N 2.98Å; T82-G85 PolarHBondContact O-N 2.8Å; L83-G85 VanDerWaalsContact C-N 3.32Å; L83-G85 PolarHBondContact O-N 3.31Å; G85-E88 PolarHBondContact O-N 3.33Å; G85-K89 WeakPolarHBondContact O-CD 3.26Å; G85-K89 VanDerWaalsContact O-CG 3.26Å; G85-K89 WeakPolarHBondContact O-CG 3Å; G85-K89 PolarHBondContact O-N 3.46Å; G85-K89 VanDerWaalsContact O-N 3.08Å
86	A	96.5	Very high	93.7	Very high	3 Å²	3	46 Å²	46	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-62.1	-46.4	174.7	0	0	0	0	0	111.7	C56 I72 T82 L83 A84 E88 K89 V90	C56-A86 HydrophobicContact CB-CB 3.87Å; I72-A86 HydrophobicContact CD1-CB 4.2Å; I72-A86 HydrophobicContact CG2-CB 3.96Å; T82-A86 PolarHBondContact O-N 3.35Å; L83-A86 PolarHBondContact O-N 3.41Å; A84-A86 PolarHBondContact O-N 2.87Å; A86-E88 VanDerWaalsContact C-N 3.34Å; A86-E88 PolarHBondContact O-N 3.41Å; A86-K89 WeakPolarHBondContact O-CB 3.5Å; A86-K89 PolarHBondContact O-N 2.86Å; A86-K89 VanDerWaalsContact O-N 3.17Å; A86-V90 WeakPolarHBondContact O-CG2 3.19Å; A86-V90 PolarHBondContact O-N 3.12Å
87	M	97.3	Very high	94.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-42.2	176.3	-72	-171	-62.1	0	0	112.7	I72 L83 A84 V90 K91 V97 I100 F116 H120 V122	I72-M87 HydrophobicContact CD1-CB 4.36Å; I72-M87 HydrophobicContact CD1-CG 3.68Å; L83-M87 HydrophobicContact CD1-CG 4.36Å; L83-M87 HydrophobicContact CG-CE 4.39Å; L83-M87 WeakPolarHBondContact O-CG 3.42Å; L83-M87 PolarHBondContact O-N 3.29Å; A84-M87 HydrophobicContact CB-CE 4.48Å; A84-M87 PolarHBondContact O-N 2.78Å; M87-V90 PolarHBondContact O-N 2.59Å; M87-K91 WeakPolarHBondContact O-CG 3.21Å; M87-K91 PolarHBondContact O-N 3.44Å; M87-K91 VanDerWaalsContact O-N 3.08Å; M87-V97 HydrophobicContact CB-CG2 4.47Å; M87-V97 HydrophobicContact CG-CG2 4.38Å; M87-I100 HydrophobicContact SD-CD1 4.06Å; M87-F116 HydrophobicContact CE-CD1 4.36Å; M87-F116 HydrophobicContact CE-CE1 3.42Å; M87-F116 VanDerWaalsContact CE-CE1 3.42Å; M87-F116 HydrophobicContact CE-CE2 4.3Å; M87-F116 HydrophobicContact CE-CZ 3.38Å; M87-F116 HydrophobicContact SD-CE1 4.25Å; M87-H120 HydrophobicContact CE-CB 3.75Å; M87-H120 HydrophobicContact SD-CB 4.49Å; M87-V122 HydrophobicContact CB-CG2 4.1Å; M87-V122 HydrophobicContact CG-CG2 4.29Å; M87-V122 HydrophobicContact SD-CB 4.03Å; M87-V122 HydrophobicContact SD-CG1 4.12Å; M87-V122 HydrophobicContact SD-CG2 3.8Å
88	E	96.4	Very high	94.8	Very high	85 Å²	85	40.2 Å²	40.2	40%	0.397	23%	0.227	S	C	.	.	H	α-helix	trans	-63.7	-40.8	175.6	-69.5	-53.6	145	0	0	112.4	A84 G85 A86 V90 K91 A92	A84-E88 PolarHBondContact O-N 2.04Å; G85-E88 PolarHBondContact O-N 3.33Å; A86-E88 VanDerWaalsContact C-N 3.34Å; A86-E88 PolarHBondContact O-N 3.41Å; E88-V90 PolarHBondContact O-N 2.92Å; E88-K91 VanDerWaalsContact CD-CE 3.48Å; E88-K91 PolarHBondContact O-N 2.67Å; E88-K91 WeakPolarHBondContact OE1-CE 3.08Å; E88-K91 IonicContact OE1-NZ 3.93Å; E88-K91 PolarHBondContact OE1-NZ 3.48Å; E88-K91 WeakPolarHBondContact OE2-CE 3.43Å; E88-K91 IonicContact OE2-NZ 2.63Å; E88-K91 PolarHBondContact OE2-NZ 3.25Å; E88-A92 WeakPolarHBondContact O-CB 3.39Å; E88-A92 PolarHBondContact O-N 2.96Å
89	K	95.9	Very high	95.2	Very high	58 Å²	58	40.2 Å²	40.2	25%	0.252	23%	0.227	S	C	.	.	H	α-helix	trans	-62.6	-40.5	177.2	-70	162.3	173.3	-166.3	0	112.2	I33 G35 C36 E54 G85 A86 S93	I33-K89 HydrophobicContact CG2-CB 4.27Å; G35-K89 WeakPolarHBondContact O-CD 3.47Å; G35-K89 WeakPolarHBondContact O-CE 3.35Å; G35-K89 PolarHBondContact O-NZ 3.25Å; C36-K89 HydrophobicContact CB-CB 4.07Å; C36-K89 HydrophobicContact CB-CD 3.96Å; E54-K89 IonicContact OE1-NZ 2.65Å; E54-K89 PolarHBondContact OE1-NZ 3.27Å; G85-K89 WeakPolarHBondContact O-CD 3.26Å; G85-K89 VanDerWaalsContact O-CG 3.26Å; G85-K89 WeakPolarHBondContact O-CG 3Å; G85-K89 PolarHBondContact O-N 3.46Å; G85-K89 VanDerWaalsContact O-N 3.08Å; A86-K89 WeakPolarHBondContact O-CB 3.5Å; A86-K89 PolarHBondContact O-N 2.86Å; A86-K89 VanDerWaalsContact O-N 3.17Å; K89-S93 WeakPolarHBondContact O-CB 3.29Å; K89-S93 PolarHBondContact O-N 2.91Å; K89-S93 VanDerWaalsContact O-N 3.14Å; K89-S93 PolarHBondContact O-OG 3.34Å
90	V	96.4	Very high	95.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-50.3	175.2	177.1	0	0	0	0	110.7	I33 C58 T70 I72 A86 M87 E88 A92 S93 A95 V97	I33-V90 HydrophobicContact CG1-CG2 4.41Å; I33-V90 HydrophobicContact CG2-CG2 4.04Å; C58-V90 HydrophobicContact CB-CG2 4.01Å; T70-V90 HydrophobicContact CG2-CG1 4.21Å; T70-V90 HydrophobicContact CG2-CG2 3.89Å; I72-V90 HydrophobicContact CD1-CG2 4.07Å; I72-V90 HydrophobicContact CG1-CG2 4.18Å; A86-V90 WeakPolarHBondContact O-CG2 3.19Å; A86-V90 PolarHBondContact O-N 3.12Å; M87-V90 PolarHBondContact O-N 2.59Å; E88-V90 PolarHBondContact O-N 2.92Å; V90-A92 PolarHBondContact O-N 3.04Å; V90-S93 WeakPolarHBondContact O-CA 3.36Å; V90-S93 WeakPolarHBondContact O-CB 3.46Å; V90-S93 PolarHBondContact O-N 2.74Å; V90-S93 VanDerWaalsContact O-N 3.09Å; V90-A95 HydrophobicContact CG1-CB 3.82Å; V90-A95 PolarHBondContact O-N 2.99Å; V90-V97 HydrophobicContact CB-CG2 3.73Å; V90-V97 HydrophobicContact CG1-CG2 3.59Å; V90-V97 HydrophobicContact CG2-CG2 4.29Å
91	K	95	Very high	95.8	Very high	63 Å²	63	40.4 Å²	40.4	27%	0.274	23%	0.225	S	C	.	.	H	α-helix	trans	-62.1	-43.8	178.4	-71.3	-175.2	-64.2	163.3	0	112.7	M87 E88 S93 N94 H120 V122	M87-K91 WeakPolarHBondContact O-CG 3.21Å; M87-K91 PolarHBondContact O-N 3.44Å; M87-K91 VanDerWaalsContact O-N 3.08Å; E88-K91 VanDerWaalsContact CD-CE 3.48Å; E88-K91 PolarHBondContact O-N 2.67Å; E88-K91 WeakPolarHBondContact OE1-CE 3.08Å; E88-K91 IonicContact OE1-NZ 3.93Å; E88-K91 PolarHBondContact OE1-NZ 3.48Å; E88-K91 WeakPolarHBondContact OE2-CE 3.43Å; E88-K91 IonicContact OE2-NZ 2.63Å; E88-K91 PolarHBondContact OE2-NZ 3.25Å; K91-S93 PolarHBondContact O-N 3.33Å; K91-N94 WeakPolarHBondContact O-CA 3.4Å; K91-N94 PolarHBondContact O-N 3.32Å; K91-H120 WeakPolarHBondContact CE-O 3.28Å; K91-H120 PolarHBondContact NZ-O 2.94Å; K91-V122 HydrophobicContact CD-CG2 4.01Å
92	A	95.1	Very high	95.9	Very high	91 Å²	91	35.4 Å²	35.4	75%	0.752	20%	0.201	S	C	*	.	H	α-helix	trans	-62.4	-23.1	177.3	0	0	0	0	0	112.4	E88 V90 N94	E88-A92 WeakPolarHBondContact O-CB 3.39Å; E88-A92 PolarHBondContact O-N 2.96Å; V90-A92 PolarHBondContact O-N 3.04Å; A92-N94 VanDerWaalsContact C-N 3.29Å
93	S	93.7	Very high	95.7	Very high	19 Å²	19	34.6 Å²	34.6	13%	0.133	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	6.7	173.3	-58.4	0	0	0	0	113.4	K34 R68 K89 V90 K91 A95	K34-S93 PolarHBondContact N-OG 3.15Å; R68-S93 PolarHBondContact NH1-O 3.44Å; K89-S93 WeakPolarHBondContact O-CB 3.29Å; K89-S93 PolarHBondContact O-N 2.91Å; K89-S93 VanDerWaalsContact O-N 3.14Å; K89-S93 PolarHBondContact O-OG 3.34Å; V90-S93 WeakPolarHBondContact O-CA 3.36Å; V90-S93 WeakPolarHBondContact O-CB 3.46Å; V90-S93 PolarHBondContact O-N 2.74Å; V90-S93 VanDerWaalsContact O-N 3.09Å; K91-S93 PolarHBondContact O-N 3.33Å; S93-A95 VanDerWaalsContact C-N 3.27Å; S93-A95 PolarHBondContact O-N 3.38Å
94	N	92.3	Very high	95.2	Very high	139 Å²	139	38.9 Å²	38.9	74%	0.743	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	43	-174.8	-161.2	54.9	0	0	0	112.6	R68 K91 A92	R68-N94 PolarHBondContact NH1-O 3.06Å; K91-N94 WeakPolarHBondContact O-CA 3.4Å; K91-N94 PolarHBondContact O-N 3.32Å; A92-N94 VanDerWaalsContact C-N 3.29Å
95	A	94.2	Very high	94.8	Very high	10 Å²	10	38.3 Å²	38.3	8%	0.083	22%	0.215	C	C	.	.			trans	-118.3	162.2	175.9	0	0	0	0	0	109.9	I33 R68 V90 S93	I33-A95 HydrophobicContact CD1-CB 3.66Å; R68-A95 HydrophobicContact CB-CB 4.18Å; R68-A95 WeakPolarHBondContact O-CB 3.26Å; V90-A95 HydrophobicContact CG1-CB 3.82Å; V90-A95 PolarHBondContact O-N 2.99Å; S93-A95 VanDerWaalsContact C-N 3.27Å; S93-A95 PolarHBondContact O-N 3.38Å
96	I	95	Very high	94.4	Very high	82 Å²	82	40.5 Å²	40.5	42%	0.421	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.8	-177.5	-61.5	176.8	0	0	0	109	Q67 R68 R69 T70 W98	Q67-I96 HydrophobicContact CB-CD1 4.39Å; Q67-I96 WeakPolarHBondContact O-CD1 3.42Å; R68-I96 PolarHBondContact O-N 3.35Å; R69-I96 CarbonylContact C-O 3.5Å; T70-I96 PolarHBondContact N-O 2.98Å; I96-W98 PolarHBondContact O-N 3.22Å
97	V	97.5	Very high	94	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.042	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	100.9	166.9	-177.9	0	0	0	0	107.5	I72 M87 V90 I100 V122	I72-V97 HydrophobicContact CD1-CB 4.48Å; I72-V97 HydrophobicContact CD1-CG1 3.7Å; I72-V97 HydrophobicContact CD1-CG2 3.97Å; I72-V97 HydrophobicContact CG1-CG1 4.24Å; M87-V97 HydrophobicContact CB-CG2 4.47Å; M87-V97 HydrophobicContact CG-CG2 4.38Å; V90-V97 HydrophobicContact CB-CG2 3.73Å; V90-V97 HydrophobicContact CG1-CG2 3.59Å; V90-V97 HydrophobicContact CG2-CG2 4.29Å; V97-I100 HydrophobicContact CG1-CD1 3.73Å; V97-I100 HydrophobicContact CG1-CG1 3.57Å; V97-V122 HydrophobicContact CB-CG1 3.57Å; V97-V122 HydrophobicContact CG1-CG1 3.79Å; V97-V122 HydrophobicContact CG2-CG1 4.07Å; V97-V122 HydrophobicContact CG2-CG2 4.45Å
98	W	97.6	Very high	93.5	Very high	45 Å²	45	46 Å²	46	17%	0.17	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-45.7	-173.3	174.4	72	0	0	0	111.8	V61 R69 T70 V71 I96 E125 E126	V61-W98 HydrophobicContact CG2-CE3 3.94Å; V61-W98 HydrophobicContact CG2-CZ3 4.39Å; R69-W98 HydrophobicContact CB-CB 3.63Å; R69-W98 HydrophobicContact CB-CG 3.93Å; R69-W98 VanDerWaalsContact CD-CD1 3.48Å; R69-W98 HydrophobicContact CG-CB 3.88Å; R69-W98 HydrophobicContact CG-CG 3.97Å; T70-W98 PolarHBondContact O-N 3.25Å; V71-W98 HydrophobicContact CG2-CE3 4.17Å; V71-W98 HydrophobicContact CG2-CZ3 4.35Å; I96-W98 PolarHBondContact O-N 3.22Å; W98-E125 PolarHBondContact NE1-OE2 3.44Å; W98-E125 VanDerWaalsContact NE1-OE2 3.07Å; W98-E125 PolarHBondContact O-N 3.13Å; W98-E126 VanDerWaalsContact CH2-CD 3.4Å; W98-E126 HydrophobicContact CH2-CG 4.14Å; W98-E126 WeakPolarHBondContact CH2-OE1 3.32Å; W98-E126 WeakPolarHBondContact CH2-OE2 3.4Å; W98-E126 HydrophobicContact CZ2-CG 4.08Å; W98-E126 PolarHBondContact O-N 2.99Å; W98-E126 VanDerWaalsContact O-N 3.13Å
99	S	98.4	Very high	93	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.4	179.9	-179.2	0	0	0	0	110.2	T70 V71 I72 E126	T70-S99 PolarHBondContact O-N 2.83Å; V71-S99 CarbonylContact C-O 3.5Å; V71-S99 WeakPolarHBondContact CA-O 3.45Å; I72-S99 PolarHBondContact N-O 3.36Å; S99-E126 WeakPolarHBondContact CA-O 3.49Å; S99-E126 WeakPolarHBondContact OG-CB 3.13Å; S99-E126 PolarHBondContact OG-OE2 2.54Å
100	I	98.4	Very high	92.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.9	177.3	-61.3	171.9	0	0	0	108	I72 L83 M87 V97 V102 F117 P124 E126 F127 S128	I72-I100 HydrophobicContact CB-CG1 4.47Å; L83-I100 HydrophobicContact CD1-CG2 3.81Å; L83-I100 HydrophobicContact CD2-CG2 4.36Å; M87-I100 HydrophobicContact SD-CD1 4.06Å; V97-I100 HydrophobicContact CG1-CD1 3.73Å; V97-I100 HydrophobicContact CG1-CG1 3.57Å; I100-V102 HydrophobicContact CG2-CG1 3.96Å; I100-F117 HydrophobicContact CD1-CD1 4.35Å; I100-F117 HydrophobicContact CD1-CE1 3.57Å; I100-F117 HydrophobicContact CD1-CZ 4.36Å; I100-P124 HydrophobicContact CD1-CB 4.09Å; I100-P124 HydrophobicContact CD1-CG 4.08Å; I100-P124 HydrophobicContact CG1-CB 4.32Å; I100-E126 PolarHBondContact N-O 3.19Å; I100-F127 HydrophobicContact CB-CD2 3.92Å; I100-F127 HydrophobicContact CB-CE2 4.49Å; I100-F127 HydrophobicContact CG2-CD2 3.87Å; I100-F127 HydrophobicContact CG2-CE2 3.95Å; I100-F127 CarbonylContact O-C 3.43Å; I100-F127 WeakPolarHBondContact O-CA 3.38Å; I100-S128 PolarHBondContact O-N 3.35Å
101	Q	97.3	Very high	92.7	Very high	58 Å²	58	47.7 Å²	47.7	27%	0.271	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.8	177.6	-60.1	179.8	0.4	0	0	108.7	I72 H73 C74 S128	I72-Q101 PolarHBondContact O-N 3.25Å; H73-Q101 CarbonylContact C-O 3.13Å; H73-Q101 WeakPolarHBondContact CA-O 3.44Å; H73-Q101 PolarHBondContact CE1-OE1 3.05Å; H73-Q101 PolarHBondContact ND1-OE1 2.03Å; C74-Q101 PolarHBondContact N-O 2.87Å; Q101-S128 WeakPolarHBondContact CA-O 3.18Å
102	V	94.5	Very high	92.7	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.7	178	-52.4	0	0	0	0	109.4	C74 L83 I100 M105 F107 F127 S128 V129 F130	C74-V102 HydrophobicContact CB-CB 4.3Å; C74-V102 HydrophobicContact CB-CG1 4.02Å; C74-V102 CarbonylContact O-C 3.57Å; C74-V102 WeakPolarHBondContact O-CA 3.42Å; L83-V102 HydrophobicContact CD2-CG1 4.08Å; I100-V102 HydrophobicContact CG2-CG1 3.96Å; V102-M105 HydrophobicContact CB-CB 4.25Å; V102-M105 HydrophobicContact CB-CE 4.14Å; V102-M105 HydrophobicContact CB-SD 4.31Å; V102-M105 HydrophobicContact CG1-CE 3.96Å; V102-M105 HydrophobicContact CG1-SD 4.08Å; V102-M105 HydrophobicContact CG2-CE 4.28Å; V102-F107 HydrophobicContact CG2-CZ 4Å; V102-F127 HydrophobicContact CG1-CE2 4.33Å; V102-F127 HydrophobicContact CG2-CE2 4.34Å; V102-S128 PolarHBondContact N-O 3.15Å; V102-V129 HydrophobicContact CG2-CB 3.92Å; V102-V129 HydrophobicContact CG2-CG1 3.78Å; V102-V129 HydrophobicContact CG2-CG2 3.72Å; V102-F130 PolarHBondContact O-N 3.35Å
103	G	89.8	Confident	92.7	Very high	19 Å²	19	41.9 Å²	41.9	20%	0.196	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.4	179.4	0	0	0	0	0	110.7	C74 L75 L76 M105 F130	C74-G103 PolarHBondContact O-N 2.87Å; L75-G103 CarbonylContact C-O 3.58Å; L75-G103 WeakPolarHBondContact CA-O 3.44Å; L76-G103 PolarHBondContact N-O 3.06Å; G103-M105 PolarHBondContact O-N 3.31Å; G103-M105 VanDerWaalsContact O-N 3.12Å; G103-F130 VanDerWaalsContact CA-O 3.3Å; G103-F130 WeakPolarHBondContact CA-O 3.4Å
104	E	85.1	Confident	92.8	Very high	91 Å²	91	43.3 Å²	43.3	43%	0.425	24%	0.236	S	C	.	.	S	Bend	trans	53.7	30.9	180	-59.7	-172.5	-159.8	0	0	114.2	L76 F130 S131	L76-E104 HydrophobicContact CB-CB 4.19Å; L76-E104 HydrophobicContact CD1-CB 3.93Å; E104-F130 PolarHBondContact N-O 2.76Å; E104-S131 VanDerWaalsContact CA-O 3.28Å; E104-S131 WeakPolarHBondContact CA-O 3.43Å; E104-S131 PolarHBondContact N-O 3.39Å
105	M	88.3	Confident	92.9	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.015	21%	0.21	C	C	.	.			trans	-73.6	138.6	177.1	-175.4	170.9	73.8	0	0	110.9	C74 S78 L83 V102 G103 F107	C74-M105 HydrophobicContact CB-SD 4.38Å; S78-M105 WeakPolarHBondContact O-CG 3.5Å; S78-M105 WeakPolarHBondContact OG-CB 3.44Å; S78-M105 VanDerWaalsContact OG-CG 3.26Å; S78-M105 WeakPolarHBondContact OG-CG 3.22Å; L83-M105 HydrophobicContact CB-SD 4.14Å; L83-M105 HydrophobicContact CD2-CE 4.05Å; L83-M105 HydrophobicContact CD2-SD 4.18Å; V102-M105 HydrophobicContact CB-CB 4.25Å; V102-M105 HydrophobicContact CB-CE 4.14Å; V102-M105 HydrophobicContact CB-SD 4.31Å; V102-M105 HydrophobicContact CG1-CE 3.96Å; V102-M105 HydrophobicContact CG1-SD 4.08Å; V102-M105 HydrophobicContact CG2-CE 4.28Å; G103-M105 PolarHBondContact O-N 3.31Å; G103-M105 VanDerWaalsContact O-N 3.12Å; M105-F107 HydrophobicContact CB-CE2 4.34Å; M105-F107 HydrophobicContact CE-CD1 3.64Å; M105-F107 HydrophobicContact CE-CD2 4.39Å; M105-F107 HydrophobicContact CE-CE1 3.1Å; M105-F107 HydrophobicContact CE-CE2 3.95Å; M105-F107 HydrophobicContact CE-CG 4.27Å; M105-F107 HydrophobicContact CE-CZ 3.3Å; M105-F107 WeakPolarHBondContact O-CD2 3.47Å; M105-F107 PolarHBondContact O-N 2.82Å
106	D	87.8	Confident	93	Very high	76 Å²	76	38.3 Å²	38.3	41%	0.406	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-80.9	111.1	170.3	-173	1.7	0	0	0	110.2	S78 T79 L108	S78-D106 PolarHBondContact O-N 3.04Å; T79-D106 WeakPolarHBondContact CA-O 3.48Å; D106-L108 PolarHBondContact O-N 2.81Å; D106-L108 WeakPolarHBondContact OD1-CA 3.27Å; D106-L108 PolarHBondContact OD1-N 2.99Å
107	F	89.2	Confident	93.1	Very high	10 Å²	10	34.4 Å²	34.4	4%	0.044	19%	0.187	C	C	.	.			trans	-82.1	3.9	176	-70.8	-87.9	0	0	0	113.6	V80 V102 M105 G109 M112 V129 F138	V80-F107 HydrophobicContact CG2-CD1 4.27Å; V102-F107 HydrophobicContact CG2-CZ 4Å; M105-F107 HydrophobicContact CB-CE2 4.34Å; M105-F107 HydrophobicContact CE-CD1 3.64Å; M105-F107 HydrophobicContact CE-CD2 4.39Å; M105-F107 HydrophobicContact CE-CE1 3.1Å; M105-F107 HydrophobicContact CE-CE2 3.95Å; M105-F107 HydrophobicContact CE-CG 4.27Å; M105-F107 HydrophobicContact CE-CZ 3.3Å; M105-F107 WeakPolarHBondContact O-CD2 3.47Å; M105-F107 PolarHBondContact O-N 2.82Å; F107-G109 PolarHBondContact O-N 3.1Å; F107-M112 HydrophobicContact CD1-SD 4.09Å; F107-M112 HydrophobicContact CE1-SD 3.58Å; F107-M112 VanDerWaalsContact CE1-SD 3.58Å; F107-V129 HydrophobicContact CE2-CG1 4.19Å; F107-V129 HydrophobicContact CZ-CG1 3.99Å; F107-F138 HydrophobicContact CB-CE2 3.77Å; F107-F138 HydrophobicContact CB-CZ 4.03Å; F107-F138 HydrophobicContact CD1-CE2 4.35Å; F107-F138 AromaticContact CD1-CZ 3.79Å; F107-F138 HydrophobicContact CD1-CZ 3.79Å; F107-F138 AromaticContact CD2-CE2 3.53Å; F107-F138 HydrophobicContact CD2-CE2 3.53Å; F107-F138 AromaticContact CD2-CZ 3.6Å; F107-F138 HydrophobicContact CD2-CZ 3.6Å; F107-F138 HydrophobicContact CE1-CZ 4.05Å; F107-F138 HydrophobicContact CE2-CE2 4.15Å; F107-F138 AromaticContact CE2-CZ 3.89Å; F107-F138 HydrophobicContact CE2-CZ 3.89Å; F107-F138 AromaticContact CG-CE2 3.63Å; F107-F138 HydrophobicContact CG-CE2 3.63Å; F107-F138 AromaticContact CG-CZ 3.53Å; F107-F138 HydrophobicContact CG-CZ 3.53Å; F107-F138 HydrophobicContact CZ-CZ 4.09Å
108	L	84.8	Confident	93	Very high	109 Å²	109	38.5 Å²	38.5	57%	0.571	21%	0.206	S	C	*	.	S	Bend	trans	56.1	37.7	-174.3	-56.9	174.1	0	0	0	112	D106	D106-L108 PolarHBondContact O-N 2.81Å; D106-L108 WeakPolarHBondContact OD1-CA 3.27Å; D106-L108 PolarHBondContact OD1-N 2.99Å
109	G	87.8	Confident	93	Very high	37 Å²	37	43.4 Å²	43.4	38%	0.381	23%	0.228	S	C	.	.	S	Bend	trans	156.3	-167.9	-176.8	0	0	0	0	0	112.8	F107	F107-G109 PolarHBondContact O-N 3.1Å
110	T	91.8	Very high	92.9	Very high	50 Å²	50	45.3 Å²	45.3	31%	0.307	24%	0.237	S	C	.	.	S	Bend	trans	-105.1	20.6	-176.5	51.4	0	0	0	0	112.9	T134 E136 F138 S139	T110-T134 HydrophobicContact CG2-CG2 4.48Å; T110-E136 HydrophobicContact CG2-CB 3.65Å; T110-E136 HydrophobicContact CG2-CG 4.37Å; T110-E136 WeakPolarHBondContact CG2-OE2 3.49Å; T110-F138 CarbonylContact O-C 3.47Å; T110-F138 VanDerWaalsContact O-CA 3.26Å; T110-F138 WeakPolarHBondContact O-CA 3.3Å; T110-S139 PolarHBondContact O-N 3.33Å
111	K	93.5	Very high	92.8	Very high	90 Å²	90	51.7 Å²	51.7	39%	0.391	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-147.1	150	-178.4	69.6	175.4	-169.1	161.3	0	113.3	D114 S139 D141	K111-D114 IonicContact NZ-OD2 3.37Å; K111-S139 VanDerWaalsContact CA-O 3.29Å; K111-S139 WeakPolarHBondContact CA-O 3.41Å; K111-S139 WeakPolarHBondContact CB-OG 3.36Å; K111-D141 IonicContact NZ-OD2 3.26Å
112	M	94.9	Very high	92.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-68.3	126.3	170.3	-179.6	64.5	-178.5	0	0	110.1	F107 D114 F116 F117 F127 F138 S139 F140 S144	F107-M112 HydrophobicContact CD1-SD 4.09Å; F107-M112 HydrophobicContact CE1-SD 3.58Å; F107-M112 VanDerWaalsContact CE1-SD 3.58Å; M112-D114 PolarHBondContact O-N 2.8Å; M112-F116 HydrophobicContact CE-CB 3.87Å; M112-F116 HydrophobicContact CE-CD1 3.58Å; M112-F116 HydrophobicContact CE-CE1 4.38Å; M112-F116 HydrophobicContact CE-CG 3.89Å; M112-F117 HydrophobicContact CE-CE2 4.33Å; M112-F117 HydrophobicContact CE-CZ 4.24Å; M112-F127 HydrophobicContact CE-CE1 4.17Å; M112-F127 HydrophobicContact CE-CZ 3.92Å; M112-F127 HydrophobicContact SD-CZ 4.27Å; M112-F138 HydrophobicContact CB-CE1 3.99Å; M112-F138 HydrophobicContact CB-CZ 4.24Å; M112-F138 VanDerWaalsContact N-CZ 3.27Å; M112-S139 PolarHBondContact N-O 2.81Å; M112-F140 HydrophobicContact CB-CD1 3.43Å; M112-F140 VanDerWaalsContact CB-CD1 3.43Å; M112-F140 HydrophobicContact CB-CE1 3.72Å; M112-F140 HydrophobicContact CB-CG 4.16Å; M112-F140 HydrophobicContact CG-CD1 3.82Å; M112-F140 HydrophobicContact CG-CE1 3.96Å; M112-F140 HydrophobicContact SD-CE1 4.5Å; M112-S144 PolarHBondContact O-OG 2.85Å
113	P	95	Very high	92.9	Very high	32 Å²	32	53.1 Å²	53.1	21%	0.208	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-56	135.4	-179.4	-26.7	34.1	0	0	0	113.6	V80 F116	V80-P113 HydrophobicContact CG1-CG 4.06Å; V80-P113 HydrophobicContact CG2-CG 4.02Å; P113-F116 HydrophobicContact CB-CB 4.43Å; P113-F116 HydrophobicContact CB-CD2 4.47Å; P113-F116 WeakPolarHBondContact O-CB 3.43Å; P113-F116 PolarHBondContact O-N 2.99Å
114	D	95.6	Very high	93.3	Very high	49 Å²	49	52.2 Å²	52.2	26%	0.262	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	138.6	-179.2	-69.3	-42.7	0	0	0	112.6	K111 M112 F116 K119 A143	K111-D114 IonicContact NZ-OD2 3.37Å; M112-D114 PolarHBondContact O-N 2.8Å; D114-F116 PolarHBondContact O-N 2.99Å; D114-K119 PolarHBondContact O-NZ 2.03Å; D114-A143 HydrophobicContact CB-CB 4Å
115	N	95.6	Very high	93.9	Very high	36 Å²	36	50.7 Å²	50.7	19%	0.193	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	28.3	178.6	-41.9	-77.6	0	0	0	112.7	F117 Q118 K119 A143 R146	N115-F117 PolarHBondContact O-N 3.4Å; N115-Q118 HydrophobicContact CB-CB 4.28Å; N115-Q118 PolarHBondContact O-N 3.01Å; N115-K119 HydrophobicContact CB-CG 4.49Å; N115-K119 WeakPolarHBondContact O-CB 3Å; N115-K119 VanDerWaalsContact O-CG 3.29Å; N115-K119 WeakPolarHBondContact O-CG 3.38Å; N115-K119 PolarHBondContact O-N 3.42Å; N115-A143 WeakPolarHBondContact CA-O 3.12Å; N115-A143 PolarHBondContact N-O 2.87Å; N115-R146 WeakPolarHBondContact OD1-CD 3.48Å
116	F	95.5	Very high	94.4	Very high	7 Å²	7	52.7 Å²	52.7	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-56.5	-52.2	-173.6	-179.7	-107.2	0	0	0	112.4	V80 L83 M87 M112 P113 D114 K119 H120	V80-F116 HydrophobicContact CG1-CD2 3.9Å; V80-F116 HydrophobicContact CG1-CE2 3.36Å; V80-F116 HydrophobicContact CG1-CZ 4.17Å; L83-F116 HydrophobicContact CB-CZ 4.42Å; L83-F116 HydrophobicContact CD2-CE1 3.61Å; L83-F116 HydrophobicContact CD2-CZ 3.76Å; L83-F116 HydrophobicContact CG-CE1 4.03Å; L83-F116 HydrophobicContact CG-CZ 3.89Å; M87-F116 HydrophobicContact CE-CD1 4.36Å; M87-F116 HydrophobicContact CE-CE1 3.42Å; M87-F116 VanDerWaalsContact CE-CE1 3.42Å; M87-F116 HydrophobicContact CE-CE2 4.3Å; M87-F116 HydrophobicContact CE-CZ 3.38Å; M87-F116 HydrophobicContact SD-CE1 4.25Å; M112-F116 HydrophobicContact CE-CB 3.87Å; M112-F116 HydrophobicContact CE-CD1 3.58Å; M112-F116 HydrophobicContact CE-CE1 4.38Å; M112-F116 HydrophobicContact CE-CG 3.89Å; P113-F116 HydrophobicContact CB-CB 4.43Å; P113-F116 HydrophobicContact CB-CD2 4.47Å; P113-F116 WeakPolarHBondContact O-CB 3.43Å; P113-F116 PolarHBondContact O-N 2.99Å; D114-F116 PolarHBondContact O-N 2.99Å; F116-K119 PolarHBondContact O-N 2.85Å; F116-H120 AromaticContact CD2-CE1 3.7Å; F116-H120 AromaticContact CD2-ND1 3.84Å; F116-H120 AromaticContact CE2-CE1 3.41Å; F116-H120 VanDerWaalsContact CE2-CE1 3.41Å; F116-H120 WeakPolarHBondContact CE2-CE1 3.26Å; F116-H120 AromaticContact CE2-ND1 3.74Å; F116-H120 PolarHBondContact O-N 2.82Å; F116-H120 PolarHBondContact O-ND1 3.43Å
117	F	97	Very high	94.9	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.5	-39.6	179.1	-63.8	-53.7	0	0	0	112.7	I100 M112 N115 H120 N121 V122 P124 F127 L145 A148	I100-F117 HydrophobicContact CD1-CD1 4.35Å; I100-F117 HydrophobicContact CD1-CE1 3.57Å; I100-F117 HydrophobicContact CD1-CZ 4.36Å; M112-F117 HydrophobicContact CE-CE2 4.33Å; M112-F117 HydrophobicContact CE-CZ 4.24Å; N115-F117 PolarHBondContact O-N 3.4Å; F117-H120 CarbonylContact O-C 3.54Å; F117-H120 PolarHBondContact O-N 3.19Å; F117-N121 PolarHBondContact O-N 2.87Å; F117-V122 WeakPolarHBondContact CB-O 3.42Å; F117-V122 PolarHBondContact O-N 3.17Å; F117-P124 HydrophobicContact CD1-CG 4.2Å; F117-P124 HydrophobicContact CE1-CG 4.06Å; F117-P124 HydrophobicContact CZ-CG 4.24Å; F117-F127 HydrophobicContact CE2-CD1 4.07Å; F117-F127 HydrophobicContact CE2-CE1 4.19Å; F117-F127 HydrophobicContact CE2-CG 4.46Å; F117-F127 AromaticContact CZ-CD1 3.94Å; F117-F127 HydrophobicContact CZ-CD1 3.94Å; F117-F127 HydrophobicContact CZ-CD2 4.05Å; F117-F127 AromaticContact CZ-CE1 4Å; F117-F127 HydrophobicContact CZ-CE1 4Å; F117-F127 HydrophobicContact CZ-CE2 4.1Å; F117-F127 AromaticContact CZ-CG 3.98Å; F117-F127 HydrophobicContact CZ-CG 3.98Å; F117-F127 HydrophobicContact CZ-CZ 4.07Å; F117-L145 HydrophobicContact CD2-CD2 4.44Å; F117-L145 HydrophobicContact CE2-CD2 3.77Å; F117-A148 HydrophobicContact CB-CB 4.27Å; F117-A148 HydrophobicContact CD2-CB 3.67Å; F117-A148 HydrophobicContact CE2-CB 4.29Å; F117-A148 HydrophobicContact CG-CB 4.12Å
118	Q	96.4	Very high	95.3	Very high	94 Å²	94	48.9 Å²	48.9	44%	0.439	26%	0.258	S	S	.	.	H	α-helix	trans	-62.1	-43.9	176	-174.6	178.1	31	0	0	112.3	N115 H120 N121 R146	N115-Q118 HydrophobicContact CB-CB 4.28Å; N115-Q118 PolarHBondContact O-N 3.01Å; Q118-H120 PolarHBondContact O-N 3.3Å; Q118-N121 PolarHBondContact O-N 3.31Å; Q118-N121 VanDerWaalsContact O-N 3.14Å; Q118-R146 WeakPolarHBondContact CB-O 3.46Å; Q118-R146 PolarHBondContact N-O 3.28Å
119	K	96.6	Very high	95.9	Very high	147 Å²	147	43.7 Å²	43.7	64%	0.639	23%	0.231	S	C	*	.	H	α-helix	trans	-61.2	-34.6	178.8	-77.1	168	177.7	164.1	0	112.3	D114 N115 F116	D114-K119 PolarHBondContact O-NZ 2.03Å; N115-K119 HydrophobicContact CB-CG 4.49Å; N115-K119 WeakPolarHBondContact O-CB 3Å; N115-K119 VanDerWaalsContact O-CG 3.29Å; N115-K119 WeakPolarHBondContact O-CG 3.38Å; N115-K119 PolarHBondContact O-N 3.42Å; F116-K119 PolarHBondContact O-N 2.85Å
120	H	96.4	Very high	96.2	Very high	40 Å²	40	45.6 Å²	45.6	19%	0.185	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	0.8	178.5	-61.3	93.8	0	0	0	113.2	A84 M87 K91 F116 F117 Q118 V122	A84-H120 WeakPolarHBondContact CB-NE2 3.45Å; M87-H120 HydrophobicContact CE-CB 3.75Å; M87-H120 HydrophobicContact SD-CB 4.49Å; K91-H120 WeakPolarHBondContact CE-O 3.28Å; K91-H120 PolarHBondContact NZ-O 2.94Å; F116-H120 AromaticContact CD2-CE1 3.7Å; F116-H120 AromaticContact CD2-ND1 3.84Å; F116-H120 AromaticContact CE2-CE1 3.41Å; F116-H120 VanDerWaalsContact CE2-CE1 3.41Å; F116-H120 WeakPolarHBondContact CE2-CE1 3.26Å; F116-H120 AromaticContact CE2-ND1 3.74Å; F116-H120 PolarHBondContact O-N 2.82Å; F116-H120 PolarHBondContact O-ND1 3.43Å; F117-H120 CarbonylContact O-C 3.54Å; F117-H120 PolarHBondContact O-N 3.19Å; Q118-H120 PolarHBondContact O-N 3.3Å; H120-V122 VanDerWaalsContact C-N 3.3Å; H120-V122 HydrophobicContact CB-CG2 4.21Å; H120-V122 WeakPolarHBondContact O-CG2 3.36Å; H120-V122 PolarHBondContact O-N 3.4Å
121	N	95.8	Very high	96	Very high	135 Å²	135	45.6 Å²	45.6	72%	0.722	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	47.9	-176.5	-166.5	44.4	0	0	0	112.7	F117 Q118	F117-N121 PolarHBondContact O-N 2.87Å; Q118-N121 PolarHBondContact O-N 3.31Å; Q118-N121 VanDerWaalsContact O-N 3.14Å
122	V	96.9	Very high	95.7	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.042	21%	0.214	C	C	.	.			trans	-120	140.3	177.6	-179.4	0	0	0	0	109.6	M87 K91 V97 F117 H120	M87-V122 HydrophobicContact CB-CG2 4.1Å; M87-V122 HydrophobicContact CG-CG2 4.29Å; M87-V122 HydrophobicContact SD-CB 4.03Å; M87-V122 HydrophobicContact SD-CG1 4.12Å; M87-V122 HydrophobicContact SD-CG2 3.8Å; K91-V122 HydrophobicContact CD-CG2 4.01Å; V97-V122 HydrophobicContact CB-CG1 3.57Å; V97-V122 HydrophobicContact CG1-CG1 3.79Å; V97-V122 HydrophobicContact CG2-CG1 4.07Å; V97-V122 HydrophobicContact CG2-CG2 4.45Å; F117-V122 WeakPolarHBondContact CB-O 3.42Å; F117-V122 PolarHBondContact O-N 3.17Å; H120-V122 VanDerWaalsContact C-N 3.3Å; H120-V122 HydrophobicContact CB-CG2 4.21Å; H120-V122 WeakPolarHBondContact O-CG2 3.36Å; H120-V122 PolarHBondContact O-N 3.4Å
123	T	96.6	Very high	94.9	Very high	83 Å²	83	44 Å²	44	51%	0.509	24%	0.238	S	C	.	.			trans	-131.4	72.6	-177.5	54.9	0	0	0	0	109.2	G147 S151	T123-G147 WeakPolarHBondContact CG2-O 3.31Å; T123-S151 VanDerWaalsContact C-OG 3.25Å; T123-S151 PolarHBondContact O-OG 3.03Å
124	P	98	Very high	94.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.			trans	-67	151.2	-177.8	32	-32.9	0	0	0	110.4	I100 F117 A148 S151 L152	I100-P124 HydrophobicContact CD1-CB 4.09Å; I100-P124 HydrophobicContact CD1-CG 4.08Å; I100-P124 HydrophobicContact CG1-CB 4.32Å; F117-P124 HydrophobicContact CD1-CG 4.2Å; F117-P124 HydrophobicContact CE1-CG 4.06Å; F117-P124 HydrophobicContact CZ-CG 4.24Å; P124-A148 HydrophobicContact CG-CB 4.22Å; P124-S151 CarbonylContact O-C 3.46Å; P124-S151 VanDerWaalsContact O-CB 3.32Å; P124-S151 WeakPolarHBondContact O-CB 3.36Å; P124-S151 PolarHBondContact O-OG 3.46Å; P124-L152 HydrophobicContact CG-CD2 4.24Å; P124-L152 PolarHBondContact O-N 3.46Å
125	E	98.3	Very high	93.8	Very high	58 Å²	58	53.2 Å²	53.2	27%	0.271	27%	0.27	S	S	.	.	S	Bend	trans	-88.6	-25.4	170.2	-63.5	-161.2	161.6	0	0	111.9	W98 S151 L152 K153 K154	W98-E125 PolarHBondContact NE1-OE2 3.44Å; W98-E125 VanDerWaalsContact NE1-OE2 3.07Å; W98-E125 PolarHBondContact O-N 3.13Å; E125-S151 WeakPolarHBondContact CA-O 3.49Å; E125-L152 CarbonylContact O-C 3.6Å; E125-L152 WeakPolarHBondContact O-CA 3.45Å; E125-K153 PolarHBondContact O-N 2.84Å; E125-K153 IonicContact OE1-NZ 3.13Å; E125-K153 PolarHBondContact OE1-NZ 3.04Å; E125-K153 IonicContact OE2-NZ 2.89Å; E125-K153 PolarHBondContact OE2-NZ 2.85Å; E125-K154 PolarHBondContact O-N 3.18Å
126	E	98.7	Very high	93.6	Very high	45 Å²	45	57.6 Å²	57.6	21%	0.21	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.2	175.9	-49.9	-170.4	149.6	0	0	111.7	W98 S99 I100 K154	W98-E126 VanDerWaalsContact CH2-CD 3.4Å; W98-E126 HydrophobicContact CH2-CG 4.14Å; W98-E126 WeakPolarHBondContact CH2-OE1 3.32Å; W98-E126 WeakPolarHBondContact CH2-OE2 3.4Å; W98-E126 HydrophobicContact CZ2-CG 4.08Å; W98-E126 PolarHBondContact O-N 2.99Å; W98-E126 VanDerWaalsContact O-N 3.13Å; S99-E126 WeakPolarHBondContact CA-O 3.49Å; S99-E126 WeakPolarHBondContact OG-CB 3.13Å; S99-E126 PolarHBondContact OG-OE2 2.54Å; I100-E126 PolarHBondContact N-O 3.19Å; E126-K154 WeakPolarHBondContact CA-O 3.16Å; E126-K154 HydrophobicContact CB-CB 4.25Å; E126-K154 HydrophobicContact CG-CB 3.98Å
127	F	98.4	Very high	93.4	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	122.7	171.9	-178.3	-138.2	0	0	0	110.3	I100 V102 M112 F117 V129 F140 L145 L152 K154 F155 T156	I100-F127 HydrophobicContact CB-CD2 3.92Å; I100-F127 HydrophobicContact CB-CE2 4.49Å; I100-F127 HydrophobicContact CG2-CD2 3.87Å; I100-F127 HydrophobicContact CG2-CE2 3.95Å; I100-F127 CarbonylContact O-C 3.43Å; I100-F127 WeakPolarHBondContact O-CA 3.38Å; V102-F127 HydrophobicContact CG1-CE2 4.33Å; V102-F127 HydrophobicContact CG2-CE2 4.34Å; M112-F127 HydrophobicContact CE-CE1 4.17Å; M112-F127 HydrophobicContact CE-CZ 3.92Å; M112-F127 HydrophobicContact SD-CZ 4.27Å; F117-F127 HydrophobicContact CE2-CD1 4.07Å; F117-F127 HydrophobicContact CE2-CE1 4.19Å; F117-F127 HydrophobicContact CE2-CG 4.46Å; F117-F127 AromaticContact CZ-CD1 3.94Å; F117-F127 HydrophobicContact CZ-CD1 3.94Å; F117-F127 HydrophobicContact CZ-CD2 4.05Å; F117-F127 AromaticContact CZ-CE1 4Å; F117-F127 HydrophobicContact CZ-CE1 4Å; F117-F127 HydrophobicContact CZ-CE2 4.1Å; F117-F127 AromaticContact CZ-CG 3.98Å; F117-F127 HydrophobicContact CZ-CG 3.98Å; F117-F127 HydrophobicContact CZ-CZ 4.07Å; F127-V129 HydrophobicContact CD1-CG2 4.33Å; F127-V129 HydrophobicContact CD2-CG2 4.43Å; F127-V129 HydrophobicContact CE1-CG2 3.68Å; F127-V129 HydrophobicContact CE2-CG2 3.8Å; F127-V129 HydrophobicContact CZ-CG2 3.39Å; F127-F140 HydrophobicContact CE1-CE1 4.18Å; F127-L145 HydrophobicContact CD1-CD2 3.81Å; F127-L145 HydrophobicContact CE1-CD2 3.8Å; F127-L152 HydrophobicContact CB-CD2 3.74Å; F127-K154 PolarHBondContact N-O 3.46Å; F127-F155 HydrophobicContact CB-CD2 4.24Å; F127-F155 AromaticContact CD1-CD2 3.87Å; F127-F155 HydrophobicContact CD1-CD2 3.87Å; F127-F155 AromaticContact CD1-CE2 3.53Å; F127-F155 HydrophobicContact CD1-CE2 3.53Å; F127-F155 HydrophobicContact CE1-CE2 4.02Å; F127-F155 HydrophobicContact CG-CD2 4.41Å; F127-F155 HydrophobicContact CG-CE2 4.41Å; F127-F155 WeakPolarHBondContact O-CA 3.37Å; F127-F155 WeakPolarHBondContact O-CD2 3.45Å; F127-T156 PolarHBondContact O-N 3.44Å
128	S	98.2	Very high	93.3	Very high	7 Å²	7	64.6 Å²	64.6	5%	0.049	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.4	-178.4	-55.6	0	0	0	0	110.6	I100 Q101 V102 F130 T156	I100-S128 PolarHBondContact O-N 3.35Å; Q101-S128 WeakPolarHBondContact CA-O 3.18Å; V102-S128 PolarHBondContact N-O 3.15Å; S128-F130 VanDerWaalsContact CB-CE2 3.45Å; S128-T156 CarbonylContact C-O 3.58Å; S128-T156 VanDerWaalsContact CA-O 3.29Å; S128-T156 WeakPolarHBondContact CA-O 3.4Å
129	V	96.1	Very high	93.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	111.6	-179.7	-174.9	0	0	0	0	109.1	V102 F107 F127 C132 F140 T156 V157 F158	V102-V129 HydrophobicContact CG2-CB 3.92Å; V102-V129 HydrophobicContact CG2-CG1 3.78Å; V102-V129 HydrophobicContact CG2-CG2 3.72Å; F107-V129 HydrophobicContact CE2-CG1 4.19Å; F107-V129 HydrophobicContact CZ-CG1 3.99Å; F127-V129 HydrophobicContact CD1-CG2 4.33Å; F127-V129 HydrophobicContact CD2-CG2 4.43Å; F127-V129 HydrophobicContact CE1-CG2 3.68Å; F127-V129 HydrophobicContact CE2-CG2 3.8Å; F127-V129 HydrophobicContact CZ-CG2 3.39Å; V129-C132 WeakPolarHBondContact CG1-SG 3.45Å; V129-F140 HydrophobicContact CB-CZ 4.45Å; V129-F140 HydrophobicContact CG1-CZ 4.49Å; V129-F140 HydrophobicContact CG2-CE1 4.4Å; V129-F140 HydrophobicContact CG2-CZ 4.07Å; V129-T156 PolarHBondContact N-O 3.3Å; V129-V157 CarbonylContact O-C 3.45Å; V129-V157 WeakPolarHBondContact O-CA 3.42Å; V129-F158 PolarHBondContact O-N 3.09Å
130	F	93.9	Very high	93.3	Very high	77 Å²	77	55.4 Å²	55.4	34%	0.338	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.3	179.2	-53.6	-83.1	0	0	0	109.8	V102 G103 E104 S128 T156 F158	V102-F130 PolarHBondContact O-N 3.35Å; G103-F130 VanDerWaalsContact CA-O 3.3Å; G103-F130 WeakPolarHBondContact CA-O 3.4Å; E104-F130 PolarHBondContact N-O 2.76Å; S128-F130 VanDerWaalsContact CB-CE2 3.45Å; F130-T156 HydrophobicContact CE1-CG2 4.04Å; F130-T156 HydrophobicContact CZ-CG2 4.26Å; F130-F158 HydrophobicContact CD1-CB 3.79Å; F130-F158 HydrophobicContact CD1-CG 4.35Å; F130-F158 HydrophobicContact CE1-CB 4.33Å
131	S	88.3	Confident	93.2	Very high	50 Å²	50	56.4 Å²	56.4	35%	0.35	29%	0.287	S	S	.	.	S	Bend	trans	53.3	85	178.3	-59.4	0	0	0	0	112.3	E104 G133 F158	E104-S131 VanDerWaalsContact CA-O 3.28Å; E104-S131 WeakPolarHBondContact CA-O 3.43Å; E104-S131 PolarHBondContact N-O 3.39Å; S131-G133 PolarHBondContact O-N 3.33Å; S131-F158 PolarHBondContact N-O 3.4Å
132	C	87.1	Confident	93.2	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.034	27%	0.265	C	S	.	.			trans	-60.4	23.2	-170.7	-75.7	0	0	0	0	117.8	V129 T134 F138 C160	V129-C132 WeakPolarHBondContact CG1-SG 3.45Å; C132-T134 HydrophobicContact CB-CG2 4.41Å; C132-T134 PolarHBondContact O-N 3.24Å; C132-F138 HydrophobicContact CB-CB 3.78Å; C132-F138 HydrophobicContact CB-CD1 4.17Å; C132-F138 HydrophobicContact CB-CD2 3.58Å; C132-F138 HydrophobicContact CB-CE2 4.14Å; C132-F138 HydrophobicContact CB-CG 3.58Å; C132-F138 WeakPolarHBondContact SG-CD1 3.39Å; C132-F138 WeakPolarHBondContact SG-CG 3.38Å; C132-C160 HydrophobicContact CB-CB 3.86Å; C132-C160 WeakPolarHBondContact CB-SG 3.49Å; C132-C160 PolarHBondContact N-SG 2.99Å; C132-C160 VanDerWaalsContact N-SG 3.42Å; C132-C160 WeakPolarHBondContact SG-CB 3.32Å; C132-C160 CovalentContact SG-SG 2.03Å; C132-C160 PolarHBondContact SG-SG 2.7Å
133	G	78.7	Confident	93.1	Very high	51 Å²	51	53.5 Å²	53.5	53%	0.526	27%	0.272	S	S	.	.	S	Bend	trans	69.1	-1.8	173.1	0	0	0	0	0	115.1	S131	S131-G133 PolarHBondContact O-N 3.33Å
134	T	82.7	Confident	93.1	Very high	41 Å²	41	49.5 Å²	49.5	25%	0.252	25%	0.248	S	C	.	.			trans	-122.3	149.4	-172.8	-176.9	0	0	0	0	113.5	T110 C132 E136 F138	T110-T134 HydrophobicContact CG2-CG2 4.48Å; C132-T134 HydrophobicContact CB-CG2 4.41Å; C132-T134 PolarHBondContact O-N 3.24Å; T134-E136 VanDerWaalsContact C-N 3.3Å; T134-E136 WeakPolarHBondContact CG2-O 3.44Å; T134-E136 PolarHBondContact OG1-N 2.82Å; T134-F138 HydrophobicContact CG2-CB 4.44Å; T134-F138 HydrophobicContact CG2-CD2 4.02Å
135	R	85.3	Confident	93	Very high	234 Å²	234	49.5 Å²	49.5	88%	0.883	25%	0.248	S	C	*	.	S	Bend	trans	-81	-14.2	169.7	-66.7	-173.7	-178.2	179.2	2	112.6	K161	R135-K161 PolarHBondContact O-NZ 2.93Å
136	E	90	Very high	92.9	Very high	128 Å²	128	52.4 Å²	52.4	60%	0.598	26%	0.257	S	S	*	.	S	Bend	trans	-93.7	179	-179.3	-62.1	-173.7	-175.1	0	0	111.7	T110 T134	T110-E136 HydrophobicContact CG2-CB 3.65Å; T110-E136 HydrophobicContact CG2-CG 4.37Å; T110-E136 WeakPolarHBondContact CG2-OE2 3.49Å; T134-E136 VanDerWaalsContact C-N 3.3Å; T134-E136 WeakPolarHBondContact CG2-O 3.44Å; T134-E136 PolarHBondContact OG1-N 2.82Å
137	R	91.7	Very high	92.7	Very high	148 Å²	148	51.7 Å²	51.7	56%	0.558	26%	0.261	S	S	*	.			trans	-73.1	127.5	175.6	-67.1	177.3	176.7	169.4	-3	109.3
138	F	95.4	Very high	92.6	Very high	7 Å²	7	51.7 Å²	51.7	3%	0.031	26%	0.261	C	S	.	.			trans	-84.7	151.2	173.3	-158.6	-100.2	0	0	0	111.1	F107 T110 M112 C132 T134 F140 C160 L162	F107-F138 HydrophobicContact CB-CE2 3.77Å; F107-F138 HydrophobicContact CB-CZ 4.03Å; F107-F138 HydrophobicContact CD1-CE2 4.35Å; F107-F138 AromaticContact CD1-CZ 3.79Å; F107-F138 HydrophobicContact CD1-CZ 3.79Å; F107-F138 AromaticContact CD2-CE2 3.53Å; F107-F138 HydrophobicContact CD2-CE2 3.53Å; F107-F138 AromaticContact CD2-CZ 3.6Å; F107-F138 HydrophobicContact CD2-CZ 3.6Å; F107-F138 HydrophobicContact CE1-CZ 4.05Å; F107-F138 HydrophobicContact CE2-CE2 4.15Å; F107-F138 AromaticContact CE2-CZ 3.89Å; F107-F138 HydrophobicContact CE2-CZ 3.89Å; F107-F138 AromaticContact CG-CE2 3.63Å; F107-F138 HydrophobicContact CG-CE2 3.63Å; F107-F138 AromaticContact CG-CZ 3.53Å; F107-F138 HydrophobicContact CG-CZ 3.53Å; F107-F138 HydrophobicContact CZ-CZ 4.09Å; T110-F138 CarbonylContact O-C 3.47Å; T110-F138 VanDerWaalsContact O-CA 3.26Å; T110-F138 WeakPolarHBondContact O-CA 3.3Å; M112-F138 HydrophobicContact CB-CE1 3.99Å; M112-F138 HydrophobicContact CB-CZ 4.24Å; M112-F138 VanDerWaalsContact N-CZ 3.27Å; C132-F138 HydrophobicContact CB-CB 3.78Å; C132-F138 HydrophobicContact CB-CD1 4.17Å; C132-F138 HydrophobicContact CB-CD2 3.58Å; C132-F138 HydrophobicContact CB-CE2 4.14Å; C132-F138 HydrophobicContact CB-CG 3.58Å; C132-F138 WeakPolarHBondContact SG-CD1 3.39Å; C132-F138 WeakPolarHBondContact SG-CG 3.38Å; T134-F138 HydrophobicContact CG2-CB 4.44Å; T134-F138 HydrophobicContact CG2-CD2 4.02Å; F138-F140 HydrophobicContact CD1-CD2 4.06Å; F138-F140 AromaticContact CD1-CE2 3.6Å; F138-F140 HydrophobicContact CD1-CE2 3.6Å; F138-F140 AromaticContact CD1-CZ 3.99Å; F138-F140 HydrophobicContact CD1-CZ 3.99Å; F138-F140 HydrophobicContact CE1-CD2 4.25Å; F138-F140 HydrophobicContact CE1-CE1 4.13Å; F138-F140 AromaticContact CE1-CE2 3.77Å; F138-F140 HydrophobicContact CE1-CE2 3.77Å; F138-F140 AromaticContact CE1-CZ 3.7Å; F138-F140 HydrophobicContact CE1-CZ 3.7Å; F138-C160 HydrophobicContact CB-CB 4.18Å; F138-C160 WeakPolarHBondContact CB-O 3.17Å; F138-C160 PolarHBondContact N-O 3.2Å; F138-L162 VanDerWaalsContact O-CD2 3.26Å; F138-L162 WeakPolarHBondContact O-CD2 2.95Å
139	S	95.3	Very high	92.5	Very high	44 Å²	44	52.4 Å²	52.4	31%	0.308	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-132.7	149.7	175.1	76.1	0	0	0	0	113.5	T110 K111 M112	T110-S139 PolarHBondContact O-N 3.33Å; K111-S139 VanDerWaalsContact CA-O 3.29Å; K111-S139 WeakPolarHBondContact CA-O 3.41Å; K111-S139 WeakPolarHBondContact CB-OG 3.36Å; M112-S139 PolarHBondContact N-O 2.81Å
140	F	96.3	Very high	92.5	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.018	29%	0.294	C	S	.	.			trans	-120.7	110.2	167	-61.7	-103.1	0	0	0	107.7	M112 F127 V129 F138 L145 F155 V157 L162 P166 P167 T168	M112-F140 HydrophobicContact CB-CD1 3.43Å; M112-F140 VanDerWaalsContact CB-CD1 3.43Å; M112-F140 HydrophobicContact CB-CE1 3.72Å; M112-F140 HydrophobicContact CB-CG 4.16Å; M112-F140 HydrophobicContact CG-CD1 3.82Å; M112-F140 HydrophobicContact CG-CE1 3.96Å; M112-F140 HydrophobicContact SD-CE1 4.5Å; F127-F140 HydrophobicContact CE1-CE1 4.18Å; V129-F140 HydrophobicContact CB-CZ 4.45Å; V129-F140 HydrophobicContact CG1-CZ 4.49Å; V129-F140 HydrophobicContact CG2-CE1 4.4Å; V129-F140 HydrophobicContact CG2-CZ 4.07Å; F138-F140 HydrophobicContact CD1-CD2 4.06Å; F138-F140 AromaticContact CD1-CE2 3.6Å; F138-F140 HydrophobicContact CD1-CE2 3.6Å; F138-F140 AromaticContact CD1-CZ 3.99Å; F138-F140 HydrophobicContact CD1-CZ 3.99Å; F138-F140 HydrophobicContact CE1-CD2 4.25Å; F138-F140 HydrophobicContact CE1-CE1 4.13Å; F138-F140 AromaticContact CE1-CE2 3.77Å; F138-F140 HydrophobicContact CE1-CE2 3.77Å; F138-F140 AromaticContact CE1-CZ 3.7Å; F138-F140 HydrophobicContact CE1-CZ 3.7Å; F140-L145 HydrophobicContact CD1-CD2 4.4Å; F140-F155 HydrophobicContact CD1-CZ 4.2Å; F140-F155 HydrophobicContact CE1-CE2 4.4Å; F140-F155 HydrophobicContact CE1-CZ 4Å; F140-F155 HydrophobicContact CZ-CZ 4.19Å; F140-V157 HydrophobicContact CE2-CG1 4.13Å; F140-V157 HydrophobicContact CE2-CG2 3.99Å; F140-V157 HydrophobicContact CZ-CG2 4.03Å; F140-L162 HydrophobicContact CD2-CD2 4.28Å; F140-L162 HydrophobicContact CE2-CD2 4.34Å; F140-P166 HydrophobicContact CB-CB 3.75Å; F140-P166 HydrophobicContact CB-CG 4.07Å; F140-P166 HydrophobicContact CD2-CG 3.98Å; F140-P166 HydrophobicContact CG-CG 4.37Å; F140-P167 WeakPolarHBondContact O-CD 3.47Å; F140-T168 HydrophobicContact CB-CG2 4.31Å
141	D	95.6	Very high	92.7	Very high	60 Å²	60	56.2 Å²	56.2	32%	0.321	29%	0.286	S	S	.	.			trans	-79.9	169.4	-179.3	-63.5	-20.4	0	0	0	110.3	K111 A143 S144 T168	K111-D141 IonicContact NZ-OD2 3.26Å; D141-A143 PolarHBondContact O-N 2.79Å; D141-S144 PolarHBondContact N-OG 3Å; D141-S144 WeakPolarHBondContact O-CB 3.34Å; D141-S144 PolarHBondContact O-N 3.44Å; D141-S144 PolarHBondContact O-OG 2.97Å; D141-T168 WeakPolarHBondContact O-CB 3.37Å
142	E	94.8	Very high	93.2	Very high	57 Å²	57	53.9 Å²	53.9	27%	0.266	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-30.7	179.1	-87	-80.8	176.2	0	0	114.1	P167 T168 R170 R171	E142-P167 HydrophobicContact CG-CB 4.18Å; E142-P167 HydrophobicContact CG-CG 4.43Å; E142-T168 PolarHBondContact O-OG1 3.22Å; E142-R170 IonicContact OE1-CZ 3.7Å; E142-R170 IonicContact OE1-NE 2.95Å; E142-R170 PolarHBondContact OE1-NE 3.06Å; E142-R170 VanDerWaalsContact OE1-NE 3.15Å; E142-R170 IonicContact OE1-NH2 2.78Å; E142-R170 PolarHBondContact OE1-NH2 2.91Å; E142-R171 WeakPolarHBondContact OE2-CD 3.46Å; E142-R171 IonicContact OE2-CZ 2.68Å; E142-R171 IonicContact OE2-NE 2.67Å; E142-R171 IonicContact OE2-NH1 3.35Å; E142-R171 PolarHBondContact OE2-NH1 2.96Å
143	A	96.2	Very high	93.7	Very high	24 Å²	24	57.3 Å²	57.3	20%	0.198	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-9.1	-178.3	0	0	0	0	0	114.4	D114 N115 D141 L145 R146	D114-A143 HydrophobicContact CB-CB 4Å; N115-A143 WeakPolarHBondContact CA-O 3.12Å; N115-A143 PolarHBondContact N-O 2.87Å; D141-A143 PolarHBondContact O-N 2.79Å; A143-L145 PolarHBondContact O-N 3.49Å; A143-R146 VanDerWaalsContact O-CB 3.27Å; A143-R146 WeakPolarHBondContact O-CB 3.29Å; A143-R146 PolarHBondContact O-N 3.13Å; A143-R146 VanDerWaalsContact O-N 3.1Å
144	S	95.2	Very high	94.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-44.7	-174.4	-66.4	0	0	0	0	113	M112 D141	M112-S144 PolarHBondContact O-OG 2.85Å; D141-S144 PolarHBondContact N-OG 3Å; D141-S144 WeakPolarHBondContact O-CB 3.34Å; D141-S144 PolarHBondContact O-N 3.44Å; D141-S144 PolarHBondContact O-OG 2.97Å
145	L	96.6	Very high	95.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	14	-179.8	-55.2	-178.1	0	0	0	113.5	F117 F127 F140 A143 G147 A148 L149 L152 F155 T168 L172	F117-L145 HydrophobicContact CD2-CD2 4.44Å; F117-L145 HydrophobicContact CE2-CD2 3.77Å; F127-L145 HydrophobicContact CD1-CD2 3.81Å; F127-L145 HydrophobicContact CE1-CD2 3.8Å; F140-L145 HydrophobicContact CD1-CD2 4.4Å; A143-L145 PolarHBondContact O-N 3.49Å; L145-G147 PolarHBondContact O-N 2.83Å; L145-A148 PolarHBondContact O-N 3.43Å; L145-L149 HydrophobicContact CB-CD2 4.27Å; L145-L152 HydrophobicContact CD1-CD1 4.16Å; L145-F155 HydrophobicContact CD1-CD1 4.23Å; L145-F155 HydrophobicContact CD1-CE1 3.88Å; L145-F155 HydrophobicContact CD1-CE2 4.24Å; L145-F155 HydrophobicContact CD1-CZ 3.9Å; L145-T168 HydrophobicContact CB-CG2 4.31Å; L145-T168 HydrophobicContact CD1-CG2 3.7Å; L145-T168 HydrophobicContact CG-CG2 3.84Å; L145-L172 HydrophobicContact CD1-CD1 4.03Å; L145-L172 HydrophobicContact CD1-CD2 4.28Å
146	R	95.7	Very high	96	Very high	119 Å²	119	44.7 Å²	44.7	45%	0.449	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	133.6	177.6	-161.9	-175	-173.1	177.5	-2.4	110.1	N115 Q118 A143	N115-R146 WeakPolarHBondContact OD1-CD 3.48Å; Q118-R146 WeakPolarHBondContact CB-O 3.46Å; Q118-R146 PolarHBondContact N-O 3.28Å; A143-R146 VanDerWaalsContact O-CB 3.27Å; A143-R146 WeakPolarHBondContact O-CB 3.29Å; A143-R146 PolarHBondContact O-N 3.13Å; A143-R146 VanDerWaalsContact O-N 3.1Å
147	G	95.1	Very high	96.4	Very high	30 Å²	30	38.6 Å²	38.6	31%	0.309	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.5	-36.7	-167.7	0	0	0	0	0	111.6	T123 L145	T123-G147 WeakPolarHBondContact CG2-O 3.31Å; L145-G147 PolarHBondContact O-N 2.83Å
148	A	97.1	Very high	96.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-105.8	2.6	-176.9	0	0	0	0	0	114.1	F117 P124 L145 Q150 S151 L152	F117-A148 HydrophobicContact CB-CB 4.27Å; F117-A148 HydrophobicContact CD2-CB 3.67Å; F117-A148 HydrophobicContact CE2-CB 4.29Å; F117-A148 HydrophobicContact CG-CB 4.12Å; P124-A148 HydrophobicContact CG-CB 4.22Å; L145-A148 PolarHBondContact O-N 3.43Å; A148-Q150 PolarHBondContact O-N 2.72Å; A148-Q150 VanDerWaalsContact O-N 3.07Å; A148-S151 WeakPolarHBondContact CA-OG 3.41Å; A148-S151 PolarHBondContact O-N 3.24Å; A148-S151 VanDerWaalsContact O-N 3.1Å; A148-S151 PolarHBondContact O-OG 3.02Å; A148-L152 HydrophobicContact CB-CD1 3.74Å; A148-L152 HydrophobicContact CB-CG 3.81Å; A148-L152 PolarHBondContact O-N 3.01Å
149	L	96.3	Very high	96.4	Very high	22 Å²	22	35.4 Å²	35.4	12%	0.115	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.3	-172.4	-59.4	179.1	0	0	0	115	L145 R171 L172 R173	L145-L149 HydrophobicContact CB-CD2 4.27Å; L149-R171 HydrophobicContact CD1-CB 4.42Å; L149-R171 HydrophobicContact CD2-CB 4.19Å; L149-L172 HydrophobicContact CD2-CD2 3.72Å; L149-L172 WeakPolarHBondContact O-CA 3.02Å; L149-R173 PolarHBondContact O-N 3.1Å
150	Q	95.7	Very high	96.4	Very high	135 Å²	135	33.4 Å²	33.4	63%	0.631	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-13.8	-179.8	-57.5	-65.6	14	0	0	113.1	A148 S174	A148-Q150 PolarHBondContact O-N 2.72Å; A148-Q150 VanDerWaalsContact O-N 3.07Å; Q150-S174 WeakPolarHBondContact O-CB 3.29Å; Q150-S174 PolarHBondContact O-OG 3.07Å
151	S	97.3	Very high	96.3	Very high	22 Å²	22	36.6 Å²	36.6	15%	0.154	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-34.8	-176.1	60.5	0	0	0	0	112.5	T123 P124 E125 A148 K153	T123-S151 VanDerWaalsContact C-OG 3.25Å; T123-S151 PolarHBondContact O-OG 3.03Å; P124-S151 CarbonylContact O-C 3.46Å; P124-S151 VanDerWaalsContact O-CB 3.32Å; P124-S151 WeakPolarHBondContact O-CB 3.36Å; P124-S151 PolarHBondContact O-OG 3.46Å; E125-S151 WeakPolarHBondContact CA-O 3.49Å; A148-S151 WeakPolarHBondContact CA-OG 3.41Å; A148-S151 PolarHBondContact O-N 3.24Å; A148-S151 VanDerWaalsContact O-N 3.1Å; A148-S151 PolarHBondContact O-OG 3.02Å; S151-K153 PolarHBondContact O-N 2.92Å
152	L	98.3	Very high	96.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.			trans	-62.6	119.3	-176.6	-77.8	171.2	0	0	0	111.8	P124 E125 F127 L145 A148 L172 S174 L175	P124-L152 HydrophobicContact CG-CD2 4.24Å; P124-L152 PolarHBondContact O-N 3.46Å; E125-L152 CarbonylContact O-C 3.6Å; E125-L152 WeakPolarHBondContact O-CA 3.45Å; F127-L152 HydrophobicContact CB-CD2 3.74Å; L145-L152 HydrophobicContact CD1-CD1 4.16Å; A148-L152 HydrophobicContact CB-CD1 3.74Å; A148-L152 HydrophobicContact CB-CG 3.81Å; A148-L152 PolarHBondContact O-N 3.01Å; L152-L172 HydrophobicContact CB-CD2 4.38Å; L152-L172 HydrophobicContact CD1-CD1 4.44Å; L152-L172 HydrophobicContact CD1-CD2 3.97Å; L152-S174 CarbonylContact O-C 3.3Å; L152-S174 VanDerWaalsContact O-C 3.27Å; L152-L175 WeakPolarHBondContact O-CA 3.42Å; L152-L175 PolarHBondContact O-N 3.21Å
153	K	98.7	Very high	96.3	Very high	77 Å²	77	34.7 Å²	34.7	34%	0.335	18%	0.177	S	C	.	.	S	Bend	trans	-103.4	-32.9	170.8	-64.4	179.2	-171	155.3	0	111.8	E125 S151 E176 V177	E125-K153 PolarHBondContact O-N 2.84Å; E125-K153 IonicContact OE1-NZ 3.13Å; E125-K153 PolarHBondContact OE1-NZ 3.04Å; E125-K153 IonicContact OE2-NZ 2.89Å; E125-K153 PolarHBondContact OE2-NZ 2.85Å; S151-K153 PolarHBondContact O-N 2.92Å; K153-E176 PolarHBondContact O-N 3.23Å; K153-V177 PolarHBondContact O-N 3.03Å
154	K	98.8	Very high	96.3	Very high	56 Å²	56	34.9 Å²	34.9	24%	0.243	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128	175.1	-178.8	165.9	-179.5	161.1	0	111.2	E125 E126 F127 T156 V177 E179	E125-K154 PolarHBondContact O-N 3.18Å; E126-K154 WeakPolarHBondContact CA-O 3.16Å; E126-K154 HydrophobicContact CB-CB 4.25Å; E126-K154 HydrophobicContact CG-CB 3.98Å; F127-K154 PolarHBondContact N-O 3.46Å; K154-T156 WeakPolarHBondContact CE-OG1 3.25Å; K154-V177 WeakPolarHBondContact CA-O 3.38Å; K154-V177 HydrophobicContact CB-CB 4.19Å; K154-V177 HydrophobicContact CD-CB 4.32Å; K154-V177 HydrophobicContact CD-CG1 4.12Å; K154-V177 HydrophobicContact CG-CB 3.95Å; K154-V177 HydrophobicContact CG-CG1 4Å; K154-E179 VanDerWaalsContact CE-OE1 3.26Å; K154-E179 WeakPolarHBondContact CE-OE1 3.11Å; K154-E179 WeakPolarHBondContact CE-OE2 3.41Å; K154-E179 IonicContact NZ-OE1 3.81Å; K154-E179 PolarHBondContact NZ-OE1 3.01Å; K154-E179 IonicContact NZ-OE2 2.83Å; K154-E179 PolarHBondContact NZ-OE2 3.03Å
155	F	98.6	Very high	96.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	116.8	172.9	-176.8	-137.7	0	0	0	109.9	F127 F140 L145 V157 V169 L172 L175 V177 L178 E179 M180	F127-F155 HydrophobicContact CB-CD2 4.24Å; F127-F155 AromaticContact CD1-CD2 3.87Å; F127-F155 HydrophobicContact CD1-CD2 3.87Å; F127-F155 AromaticContact CD1-CE2 3.53Å; F127-F155 HydrophobicContact CD1-CE2 3.53Å; F127-F155 HydrophobicContact CE1-CE2 4.02Å; F127-F155 HydrophobicContact CG-CD2 4.41Å; F127-F155 HydrophobicContact CG-CE2 4.41Å; F127-F155 WeakPolarHBondContact O-CA 3.37Å; F127-F155 WeakPolarHBondContact O-CD2 3.45Å; F140-F155 HydrophobicContact CD1-CZ 4.2Å; F140-F155 HydrophobicContact CE1-CE2 4.4Å; F140-F155 HydrophobicContact CE1-CZ 4Å; F140-F155 HydrophobicContact CZ-CZ 4.19Å; L145-F155 HydrophobicContact CD1-CD1 4.23Å; L145-F155 HydrophobicContact CD1-CE1 3.88Å; L145-F155 HydrophobicContact CD1-CE2 4.24Å; L145-F155 HydrophobicContact CD1-CZ 3.9Å; F155-V157 HydrophobicContact CD2-CG2 4.44Å; F155-V157 HydrophobicContact CE1-CG2 3.91Å; F155-V157 HydrophobicContact CE2-CG2 3.66Å; F155-V157 HydrophobicContact CZ-CG2 3.35Å; F155-V169 HydrophobicContact CD1-CG2 4.17Å; F155-V169 HydrophobicContact CE1-CG2 4.02Å; F155-L172 HydrophobicContact CB-CD1 4.41Å; F155-L172 HydrophobicContact CD1-CD1 4.13Å; F155-L172 HydrophobicContact CG-CD1 4.49Å; F155-L175 HydrophobicContact CB-CD1 3.77Å; F155-V177 PolarHBondContact N-O 3.32Å; F155-L178 HydrophobicContact CB-CD1 4.28Å; F155-L178 HydrophobicContact CD1-CD1 3.89Å; F155-L178 HydrophobicContact CG-CD1 4.49Å; F155-L178 WeakPolarHBondContact O-CA 3.14Å; F155-E179 PolarHBondContact O-N 3.36Å; F155-M180 HydrophobicContact CD1-CE 4.13Å; F155-M180 HydrophobicContact CE1-CE 3.9Å
156	T	98.4	Very high	96.3	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.9	-179	-53.3	0	0	0	0	109.3	F127 S128 V129 F130 K154 E179	F127-T156 PolarHBondContact O-N 3.44Å; S128-T156 CarbonylContact C-O 3.58Å; S128-T156 VanDerWaalsContact CA-O 3.29Å; S128-T156 WeakPolarHBondContact CA-O 3.4Å; V129-T156 PolarHBondContact N-O 3.3Å; F130-T156 HydrophobicContact CE1-CG2 4.04Å; F130-T156 HydrophobicContact CZ-CG2 4.26Å; K154-T156 WeakPolarHBondContact CE-OG1 3.25Å; T156-E179 CarbonylContact C-O 3.48Å; T156-E179 VanDerWaalsContact CA-O 3.3Å; T156-E179 WeakPolarHBondContact CA-O 3.38Å; T156-E179 HydrophobicContact CG2-CB 3.87Å; T156-E179 VanDerWaalsContact CG2-OE2 3.3Å; T156-E179 WeakPolarHBondContact CG2-OE2 3.43Å; T156-E179 PolarHBondContact OG1-OE2 3.35Å
157	V	97.2	Very high	96.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.3	167.8	-174	0	0	0	0	107.7	V129 F140 F155 C160 L162 E179 M180 A181	V129-V157 CarbonylContact O-C 3.45Å; V129-V157 WeakPolarHBondContact O-CA 3.42Å; F140-V157 HydrophobicContact CE2-CG1 4.13Å; F140-V157 HydrophobicContact CE2-CG2 3.99Å; F140-V157 HydrophobicContact CZ-CG2 4.03Å; F155-V157 HydrophobicContact CD2-CG2 4.44Å; F155-V157 HydrophobicContact CE1-CG2 3.91Å; F155-V157 HydrophobicContact CE2-CG2 3.66Å; F155-V157 HydrophobicContact CZ-CG2 3.35Å; V157-C160 HydrophobicContact CG1-CB 3.61Å; V157-C160 VanDerWaalsContact CG1-SG 3.56Å; V157-L162 HydrophobicContact CB-CD1 4.09Å; V157-L162 HydrophobicContact CG1-CD1 3.71Å; V157-L162 HydrophobicContact CG1-CG 4.22Å; V157-E179 PolarHBondContact N-O 3.1Å; V157-M180 VanDerWaalsContact O-CA 3.3Å; V157-M180 WeakPolarHBondContact O-CA 3.48Å; V157-A181 PolarHBondContact O-N 2.9Å
158	F	95.2	Very high	96.4	Very high	65 Å²	65	31.4 Å²	31.4	29%	0.285	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	130.1	-177.1	-174.2	-86.7	0	0	0	110.8	V129 F130 S131 A181 N182	V129-F158 PolarHBondContact O-N 3.09Å; F130-F158 HydrophobicContact CD1-CB 3.79Å; F130-F158 HydrophobicContact CD1-CG 4.35Å; F130-F158 HydrophobicContact CE1-CB 4.33Å; S131-F158 PolarHBondContact N-O 3.4Å; F158-A181 VanDerWaalsContact CA-O 3.29Å; F158-A181 WeakPolarHBondContact CA-O 3.34Å; F158-A181 HydrophobicContact CD2-CB 3.86Å; F158-A181 VanDerWaalsContact CD2-O 3.28Å; F158-A181 WeakPolarHBondContact CD2-O 3.42Å; F158-A181 HydrophobicContact CE2-CB 4.08Å; F158-N182 HydrophobicContact CD1-CB 4.24Å; F158-N182 HydrophobicContact CD2-CB 3.8Å; F158-N182 HydrophobicContact CE1-CB 3.82Å; F158-N182 WeakPolarHBondContact CE1-ND2 3.41Å; F158-N182 HydrophobicContact CE2-CB 3.33Å; F158-N182 HydrophobicContact CG-CB 4.23Å; F158-N182 HydrophobicContact CZ-CB 3.35Å; F158-N182 VanDerWaalsContact CZ-ND2 3.25Å; F158-N182 WeakPolarHBondContact CZ-ND2 3.04Å
159	G	92.2	Very high	96.4	Very high	23 Å²	23	31.4 Å²	31.4	24%	0.237	17%	0.165	C	C	.	.	S	Bend	trans	70.3	31.5	173.5	0	0	0	0	0	114.3	A181 N182	G159-A181 PolarHBondContact N-O 3.45Å; G159-N182 WeakPolarHBondContact CA-O 3.3Å; G159-N182 PolarHBondContact N-O 3.06Å
160	C	94.6	Very high	96.3	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	18%	0.181	C	C	.	.	S	Bend	trans	-107.3	4	-174.5	-74.4	0	0	0	0	114.2	C132 F138 V157 L162 D183	C132-C160 HydrophobicContact CB-CB 3.86Å; C132-C160 WeakPolarHBondContact CB-SG 3.49Å; C132-C160 PolarHBondContact N-SG 2.99Å; C132-C160 VanDerWaalsContact N-SG 3.42Å; C132-C160 WeakPolarHBondContact SG-CB 3.32Å; C132-C160 CovalentContact SG-SG 2.03Å; C132-C160 PolarHBondContact SG-SG 2.7Å; F138-C160 HydrophobicContact CB-CB 4.18Å; F138-C160 WeakPolarHBondContact CB-O 3.17Å; F138-C160 PolarHBondContact N-O 3.2Å; V157-C160 HydrophobicContact CG1-CB 3.61Å; V157-C160 VanDerWaalsContact CG1-SG 3.56Å; C160-L162 HydrophobicContact CB-CD2 4.35Å; C160-L162 HydrophobicContact CB-CG 4.17Å; C160-L162 PolarHBondContact O-N 3.08Å; C160-D183 VanDerWaalsContact C-OD1 3.25Å; C160-D183 WeakPolarHBondContact CA-OD1 3.49Å; C160-D183 PolarHBondContact N-OD1 2.84Å
161	K	93.9	Very high	96.3	Very high	70 Å²	70	34.3 Å²	34.3	30%	0.304	17%	0.169	S	C	.	.			trans	56.6	35.2	-178.6	-57.6	167.6	178.3	156.1	0	111.6	R135 D183	R135-K161 PolarHBondContact O-NZ 2.93Å; K161-D183 PolarHBondContact N-OD1 2.8Å
162	L	96	Very high	96.3	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	16%	0.161	C	C	.	.			trans	-62.5	136.7	173.6	-62.1	-172.5	0	0	0	109.2	F138 F140 V157 C160 P166 D183 Q184 I185	F138-L162 VanDerWaalsContact O-CD2 3.26Å; F138-L162 WeakPolarHBondContact O-CD2 2.95Å; F140-L162 HydrophobicContact CD2-CD2 4.28Å; F140-L162 HydrophobicContact CE2-CD2 4.34Å; V157-L162 HydrophobicContact CB-CD1 4.09Å; V157-L162 HydrophobicContact CG1-CD1 3.71Å; V157-L162 HydrophobicContact CG1-CG 4.22Å; C160-L162 HydrophobicContact CB-CD2 4.35Å; C160-L162 HydrophobicContact CB-CG 4.17Å; C160-L162 PolarHBondContact O-N 3.08Å; L162-P166 HydrophobicContact CD1-CG 4.05Å; L162-D183 HydrophobicContact CB-CB 4.1Å; L162-D183 PolarHBondContact N-OD1 3.18Å; L162-Q184 CarbonylContact O-C 3.58Å; L162-Q184 WeakPolarHBondContact O-CA 3.45Å; L162-Q184 WeakPolarHBondContact O-CB 3.44Å; L162-Q184 PolarHBondContact O-N 3.15Å; L162-I185 HydrophobicContact CB-CG1 4.29Å; L162-I185 PolarHBondContact O-N 3.3Å
163	I	94.9	Very high	96.1	Very high	74 Å²	74	39 Å²	39	38%	0.379	18%	0.183	S	C	.	.	S	Bend	trans	-103.7	-7.8	178	59.7	170.4	0	0	0	113.2	Q184	I163-Q184 HydrophobicContact CG2-CB 4.24Å
164	A	95.6	Very high	96	Very high	27 Å²	27	37.1 Å²	37.1	22%	0.223	18%	0.179	C	C	.	.	S	Bend	trans	-158.7	159.9	179.5	0	0	0	0	0	108.6	P166	A164-P166 WeakPolarHBondContact O-CD 3.48Å
165	I	97	Very high	96	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.031	17%	0.168	C	C	.	.			trans	-61.4	126.8	169.7	-68	155.7	0	0	0	108.5	V169 M180 I185 V188 L193	I165-V169 HydrophobicContact CG2-CB 3.91Å; I165-V169 HydrophobicContact CG2-CG1 3.96Å; I165-V169 HydrophobicContact CG2-CG2 4.05Å; I165-M180 HydrophobicContact CB-SD 4.37Å; I165-M180 HydrophobicContact CG1-SD 4.01Å; I165-M180 HydrophobicContact CG2-CE 4.46Å; I165-M180 HydrophobicContact CG2-SD 4.25Å; I165-I185 HydrophobicContact CG1-CD1 4.42Å; I165-V188 HydrophobicContact CD1-CB 4.17Å; I165-V188 HydrophobicContact CD1-CG1 3.72Å; I165-V188 HydrophobicContact CD1-CG2 3.69Å; I165-L193 HydrophobicContact CD1-CD1 4.29Å; I165-L193 HydrophobicContact CD1-CD2 3.85Å; I165-L193 HydrophobicContact CD1-CG 4.11Å; I165-L193 HydrophobicContact CG2-CD2 4.25Å
166	P	96.6	Very high	96	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.052	18%	0.183	C	C	.	.			trans	-56.6	137.3	179.9	-30	36.1	0	0	0	114.4	F140 L162 A164 T168 V169 M180	F140-P166 HydrophobicContact CB-CB 3.75Å; F140-P166 HydrophobicContact CB-CG 4.07Å; F140-P166 HydrophobicContact CD2-CG 3.98Å; F140-P166 HydrophobicContact CG-CG 4.37Å; L162-P166 HydrophobicContact CD1-CG 4.05Å; A164-P166 WeakPolarHBondContact O-CD 3.48Å; P166-T168 HydrophobicContact CB-CG2 4.28Å; P166-T168 PolarHBondContact O-N 2.79Å; P166-T168 VanDerWaalsContact O-N 3.08Å; P166-V169 HydrophobicContact CB-CG2 3.99Å; P166-V169 HydrophobicContact CG-CG2 4.37Å; P166-V169 VanDerWaalsContact O-CB 3.24Å; P166-V169 WeakPolarHBondContact O-CB 3.26Å; P166-V169 VanDerWaalsContact O-CG2 3.31Å; P166-V169 WeakPolarHBondContact O-CG2 3.21Å; P166-V169 PolarHBondContact O-N 2.86Å; P166-M180 VanDerWaalsContact CD-CE 3.42Å; P166-M180 HydrophobicContact CG-CE 4.09Å
167	P	95.7	Very high	96.1	Very high	62 Å²	62	39 Å²	39	40%	0.403	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.7	-175.6	24.2	-36.2	0	0	0	114.1	F140 E142 V169 R170	F140-P167 WeakPolarHBondContact O-CD 3.47Å; E142-P167 HydrophobicContact CG-CB 4.18Å; E142-P167 HydrophobicContact CG-CG 4.43Å; P167-V169 VanDerWaalsContact C-N 3.26Å; P167-V169 PolarHBondContact O-N 3.39Å; P167-R170 WeakPolarHBondContact O-CD 3.41Å; P167-R170 VanDerWaalsContact O-CG 3.29Å; P167-R170 WeakPolarHBondContact O-CG 3.43Å; P167-R170 PolarHBondContact O-NE 3.19Å
168	T	95.5	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-24.7	176.8	-162.4	0	0	0	0	113	F140 D141 E142 L145 P166 R170 R171	F140-T168 HydrophobicContact CB-CG2 4.31Å; D141-T168 WeakPolarHBondContact O-CB 3.37Å; E142-T168 PolarHBondContact O-OG1 3.22Å; L145-T168 HydrophobicContact CB-CG2 4.31Å; L145-T168 HydrophobicContact CD1-CG2 3.7Å; L145-T168 HydrophobicContact CG-CG2 3.84Å; P166-T168 HydrophobicContact CB-CG2 4.28Å; P166-T168 PolarHBondContact O-N 2.79Å; P166-T168 VanDerWaalsContact O-N 3.08Å; T168-R170 VanDerWaalsContact C-N 3.34Å; T168-R170 PolarHBondContact O-N 3.01Å; T168-R171 WeakPolarHBondContact O-CB 3.39Å; T168-R171 PolarHBondContact O-N 2.88Å
169	V	97.2	Very high	96.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-58.7	-43.2	-175.8	170	0	0	0	0	111.4	F155 I165 P166 P167 R171 L172 L175 L178 M180 L196	F155-V169 HydrophobicContact CD1-CG2 4.17Å; F155-V169 HydrophobicContact CE1-CG2 4.02Å; I165-V169 HydrophobicContact CG2-CB 3.91Å; I165-V169 HydrophobicContact CG2-CG1 3.96Å; I165-V169 HydrophobicContact CG2-CG2 4.05Å; P166-V169 HydrophobicContact CB-CG2 3.99Å; P166-V169 HydrophobicContact CG-CG2 4.37Å; P166-V169 VanDerWaalsContact O-CB 3.24Å; P166-V169 WeakPolarHBondContact O-CB 3.26Å; P166-V169 VanDerWaalsContact O-CG2 3.31Å; P166-V169 WeakPolarHBondContact O-CG2 3.21Å; P166-V169 PolarHBondContact O-N 2.86Å; P167-V169 VanDerWaalsContact C-N 3.26Å; P167-V169 PolarHBondContact O-N 3.39Å; V169-R171 PolarHBondContact O-N 3.5Å; V169-L172 WeakPolarHBondContact O-CB 3.38Å; V169-L172 WeakPolarHBondContact O-CG 3.37Å; V169-L172 PolarHBondContact O-N 2.75Å; V169-L175 HydrophobicContact CG1-CD2 4.42Å; V169-L178 HydrophobicContact CG1-CD1 4.33Å; V169-L178 HydrophobicContact CG1-CD2 3.64Å; V169-M180 HydrophobicContact CG2-CE 3.68Å; V169-L196 HydrophobicContact CG1-CD1 3.93Å; V169-L196 HydrophobicContact CG1-CD2 4.3Å; V169-L196 WeakPolarHBondContact O-CD2 3.2Å
170	R	95.6	Very high	96.5	Very high	121 Å²	121	36.8 Å²	36.8	46%	0.457	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-58.1	-10.3	178.8	78	-162.9	175.9	147.2	-2.7	114.7	E142 P167 T168 E192	E142-R170 IonicContact OE1-CZ 3.7Å; E142-R170 IonicContact OE1-NE 2.95Å; E142-R170 PolarHBondContact OE1-NE 3.06Å; E142-R170 VanDerWaalsContact OE1-NE 3.15Å; E142-R170 IonicContact OE1-NH2 2.78Å; E142-R170 PolarHBondContact OE1-NH2 2.91Å; P167-R170 WeakPolarHBondContact O-CD 3.41Å; P167-R170 VanDerWaalsContact O-CG 3.29Å; P167-R170 WeakPolarHBondContact O-CG 3.43Å; P167-R170 PolarHBondContact O-NE 3.19Å; T168-R170 VanDerWaalsContact C-N 3.34Å; T168-R170 PolarHBondContact O-N 3.01Å; R170-E192 WeakPolarHBondContact CB-O 3.36Å
171	R	95.4	Very high	96.5	Very high	97 Å²	97	37 Å²	37	37%	0.366	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-102	-6.4	179.5	-58.5	178.6	62.3	-179.9	-0.1	113.5	E142 L149 T168 V169 R173	E142-R171 WeakPolarHBondContact OE2-CD 3.46Å; E142-R171 IonicContact OE2-CZ 2.68Å; E142-R171 IonicContact OE2-NE 2.67Å; E142-R171 IonicContact OE2-NH1 3.35Å; E142-R171 PolarHBondContact OE2-NH1 2.96Å; L149-R171 HydrophobicContact CD1-CB 4.42Å; L149-R171 HydrophobicContact CD2-CB 4.19Å; T168-R171 WeakPolarHBondContact O-CB 3.39Å; T168-R171 PolarHBondContact O-N 2.88Å; V169-R171 PolarHBondContact O-N 3.5Å; R171-R173 PolarHBondContact O-N 3.07Å; R171-R173 VanDerWaalsContact O-N 3.08Å
172	L	96.8	Very high	96.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.			trans	-78.6	84.8	177.5	-56.4	179.3	0	0	0	109.6	L145 L149 L152 F155 V169 S174 L175 L196	L145-L172 HydrophobicContact CD1-CD1 4.03Å; L145-L172 HydrophobicContact CD1-CD2 4.28Å; L149-L172 HydrophobicContact CD2-CD2 3.72Å; L149-L172 WeakPolarHBondContact O-CA 3.02Å; L152-L172 HydrophobicContact CB-CD2 4.38Å; L152-L172 HydrophobicContact CD1-CD1 4.44Å; L152-L172 HydrophobicContact CD1-CD2 3.97Å; F155-L172 HydrophobicContact CB-CD1 4.41Å; F155-L172 HydrophobicContact CD1-CD1 4.13Å; F155-L172 HydrophobicContact CG-CD1 4.49Å; V169-L172 WeakPolarHBondContact O-CB 3.38Å; V169-L172 WeakPolarHBondContact O-CG 3.37Å; V169-L172 PolarHBondContact O-N 2.75Å; L172-S174 VanDerWaalsContact C-N 3.3Å; L172-S174 PolarHBondContact O-N 2.77Å; L172-L175 HydrophobicContact CB-CB 3.83Å; L172-L175 HydrophobicContact CB-CD1 4.44Å; L172-L175 HydrophobicContact CB-CD2 4.19Å; L172-L175 HydrophobicContact CB-CG 4.4Å; L172-L175 HydrophobicContact CD1-CD1 4.07Å; L172-L175 HydrophobicContact CD1-CD2 4.01Å; L172-L175 WeakPolarHBondContact O-CB 3.3Å; L172-L175 PolarHBondContact O-N 3.47Å; L172-L196 HydrophobicContact CB-CD2 4.33Å; L172-L196 VanDerWaalsContact O-CD2 3.32Å; L172-L196 WeakPolarHBondContact O-CD2 3.45Å
173	R	94.3	Very high	96.6	Very high	122 Å²	122	37.3 Å²	37.3	46%	0.46	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-23	-170.1	-60.3	-56.6	-175.3	-179.1	-0.7	114.2	L149 R171 G195 Q198	L149-R173 PolarHBondContact O-N 3.1Å; R171-R173 PolarHBondContact O-N 3.07Å; R171-R173 VanDerWaalsContact O-N 3.08Å; R173-G195 PolarHBondContact NH1-O 3.31Å; R173-Q198 WeakPolarHBondContact O-CG 3.3Å
174	S	97.4	Very high	96.7	Very high	36 Å²	36	37.7 Å²	37.7	25%	0.252	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	3.3	-179.9	-54.6	0	0	0	0	112.7	Q150 L152 L172 E176	Q150-S174 WeakPolarHBondContact O-CB 3.29Å; Q150-S174 PolarHBondContact O-OG 3.07Å; L152-S174 CarbonylContact O-C 3.3Å; L152-S174 VanDerWaalsContact O-C 3.27Å; L172-S174 VanDerWaalsContact C-N 3.3Å; L172-S174 PolarHBondContact O-N 2.77Å; S174-E176 PolarHBondContact O-N 3.47Å
175	L	98.6	Very high	96.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.171	C	C	.	.			trans	-69	122.8	-173	-163.5	72.8	0	0	0	110.9	L152 F155 V169 L172 L178 L196 Q198 L199	L152-L175 WeakPolarHBondContact O-CA 3.42Å; L152-L175 PolarHBondContact O-N 3.21Å; F155-L175 HydrophobicContact CB-CD1 3.77Å; V169-L175 HydrophobicContact CG1-CD2 4.42Å; L172-L175 HydrophobicContact CB-CB 3.83Å; L172-L175 HydrophobicContact CB-CD1 4.44Å; L172-L175 HydrophobicContact CB-CD2 4.19Å; L172-L175 HydrophobicContact CB-CG 4.4Å; L172-L175 HydrophobicContact CD1-CD1 4.07Å; L172-L175 HydrophobicContact CD1-CD2 4.01Å; L172-L175 WeakPolarHBondContact O-CB 3.3Å; L172-L175 PolarHBondContact O-N 3.47Å; L175-L178 HydrophobicContact CD2-CB 3.94Å; L175-L178 HydrophobicContact CD2-CD1 4.1Å; L175-L178 HydrophobicContact CD2-CD2 4.44Å; L175-L178 HydrophobicContact CD2-CG 4.39Å; L175-L196 HydrophobicContact CB-CD2 4.19Å; L175-L196 HydrophobicContact CD2-CD1 4.29Å; L175-L196 HydrophobicContact CD2-CD2 3.95Å; L175-Q198 CarbonylContact O-C 3.46Å; L175-Q198 WeakPolarHBondContact O-CB 3.5Å; L175-L199 HydrophobicContact CD2-CD1 4.17Å; L175-L199 HydrophobicContact CG-CD1 4.23Å; L175-L199 WeakPolarHBondContact O-CA 3.31Å; L175-L199 PolarHBondContact O-N 2.88Å; L175-L199 VanDerWaalsContact O-N 3.08Å
176	E	98.7	Very high	96.7	Very high	71 Å²	71	39.7 Å²	39.7	33%	0.332	19%	0.189	S	C	.	.			trans	-106.5	-30.8	178.1	-60.1	-172.8	-157.2	0	0	111.8	K153 S174 Q198 R200 T201	K153-E176 PolarHBondContact O-N 3.23Å; S174-E176 PolarHBondContact O-N 3.47Å; E176-Q198 WeakPolarHBondContact CA-O 3.24Å; E176-Q198 HydrophobicContact CG-CB 4.3Å; E176-R200 WeakPolarHBondContact O-CA 3.35Å; E176-R200 PolarHBondContact O-N 3.08Å; E176-R200 IonicContact OE2-NE 3.25Å; E176-T201 PolarHBondContact O-N 3.4Å
177	V	98.8	Very high	96.6	Very high	30 Å²	30	40.1 Å²	40.1	18%	0.182	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	122	-179	-179.1	0	0	0	0	109.7	K153 K154 F155 E179 T201	K153-V177 PolarHBondContact O-N 3.03Å; K154-V177 WeakPolarHBondContact CA-O 3.38Å; K154-V177 HydrophobicContact CB-CB 4.19Å; K154-V177 HydrophobicContact CD-CB 4.32Å; K154-V177 HydrophobicContact CD-CG1 4.12Å; K154-V177 HydrophobicContact CG-CB 3.95Å; K154-V177 HydrophobicContact CG-CG1 4Å; F155-V177 PolarHBondContact N-O 3.32Å; V177-E179 HydrophobicContact CG1-CG 3.91Å; V177-E179 WeakPolarHBondContact CG1-OE1 3.2Å; V177-T201 HydrophobicContact CG1-CG2 4.36Å
178	L	98.7	Very high	96.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.2	172.5	-178	58.1	0	0	0	109	F155 V169 L175 M180 L193 L196 L199 T201 L202 D203	F155-L178 HydrophobicContact CB-CD1 4.28Å; F155-L178 HydrophobicContact CD1-CD1 3.89Å; F155-L178 HydrophobicContact CG-CD1 4.49Å; F155-L178 WeakPolarHBondContact O-CA 3.14Å; V169-L178 HydrophobicContact CG1-CD1 4.33Å; V169-L178 HydrophobicContact CG1-CD2 3.64Å; L175-L178 HydrophobicContact CD2-CB 3.94Å; L175-L178 HydrophobicContact CD2-CD1 4.1Å; L175-L178 HydrophobicContact CD2-CD2 4.44Å; L175-L178 HydrophobicContact CD2-CG 4.39Å; L178-M180 HydrophobicContact CD1-CE 3.44Å; L178-M180 VanDerWaalsContact CD1-CE 3.44Å; L178-M180 HydrophobicContact CD1-CG 4.2Å; L178-M180 HydrophobicContact CD1-SD 4.3Å; L178-M180 HydrophobicContact CD2-CE 4.43Å; L178-M180 HydrophobicContact CG-CE 4.26Å; L178-M180 HydrophobicContact CG-CG 4.46Å; L178-L193 HydrophobicContact CD2-CD2 3.97Å; L178-L196 HydrophobicContact CD2-CD1 4.13Å; L178-L199 HydrophobicContact CB-CD1 3.72Å; L178-T201 PolarHBondContact N-O 2.83Å; L178-L202 HydrophobicContact CB-CD1 4.11Å; L178-L202 HydrophobicContact CD2-CD1 3.89Å; L178-L202 HydrophobicContact CG-CD1 4.09Å; L178-L202 WeakPolarHBondContact O-CA 3.4Å; L178-D203 PolarHBondContact O-N 2.91Å
179	E	98.5	Very high	96.7	Very high	43 Å²	43	41.5 Å²	41.5	20%	0.201	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.9	178.5	-67.2	163.8	-173.7	0	0	108.5	K154 F155 T156 V157 V177 D203	K154-E179 VanDerWaalsContact CE-OE1 3.26Å; K154-E179 WeakPolarHBondContact CE-OE1 3.11Å; K154-E179 WeakPolarHBondContact CE-OE2 3.41Å; K154-E179 IonicContact NZ-OE1 3.81Å; K154-E179 PolarHBondContact NZ-OE1 3.01Å; K154-E179 IonicContact NZ-OE2 2.83Å; K154-E179 PolarHBondContact NZ-OE2 3.03Å; F155-E179 PolarHBondContact O-N 3.36Å; T156-E179 CarbonylContact C-O 3.48Å; T156-E179 VanDerWaalsContact CA-O 3.3Å; T156-E179 WeakPolarHBondContact CA-O 3.38Å; T156-E179 HydrophobicContact CG2-CB 3.87Å; T156-E179 VanDerWaalsContact CG2-OE2 3.3Å; T156-E179 WeakPolarHBondContact CG2-OE2 3.43Å; T156-E179 PolarHBondContact OG1-OE2 3.35Å; V157-E179 PolarHBondContact N-O 3.1Å; V177-E179 HydrophobicContact CG1-CG 3.91Å; V177-E179 WeakPolarHBondContact CG1-OE1 3.2Å; E179-D203 HydrophobicContact CB-CB 4.31Å; E179-D203 HydrophobicContact CG-CB 4Å
180	M	97	Very high	96.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	63.7	176.6	-65.1	-177.1	171.5	0	0	109.4	F155 V157 I165 P166 V169 L178 I185 D203 L204 N207	F155-M180 HydrophobicContact CD1-CE 4.13Å; F155-M180 HydrophobicContact CE1-CE 3.9Å; V157-M180 VanDerWaalsContact O-CA 3.3Å; V157-M180 WeakPolarHBondContact O-CA 3.48Å; I165-M180 HydrophobicContact CB-SD 4.37Å; I165-M180 HydrophobicContact CG1-SD 4.01Å; I165-M180 HydrophobicContact CG2-CE 4.46Å; I165-M180 HydrophobicContact CG2-SD 4.25Å; P166-M180 VanDerWaalsContact CD-CE 3.42Å; P166-M180 HydrophobicContact CG-CE 4.09Å; V169-M180 HydrophobicContact CG2-CE 3.68Å; L178-M180 HydrophobicContact CD1-CE 3.44Å; L178-M180 VanDerWaalsContact CD1-CE 3.44Å; L178-M180 HydrophobicContact CD1-CG 4.2Å; L178-M180 HydrophobicContact CD1-SD 4.3Å; L178-M180 HydrophobicContact CD2-CE 4.43Å; L178-M180 HydrophobicContact CG-CE 4.26Å; L178-M180 HydrophobicContact CG-CG 4.46Å; M180-I185 HydrophobicContact CB-CD1 3.9Å; M180-I185 HydrophobicContact SD-CD1 4.19Å; M180-D203 PolarHBondContact N-O 3.45Å; M180-L204 HydrophobicContact CB-CD2 4.04Å; M180-N207 PolarHBondContact O-ND2 3.17Å
181	A	94.9	Very high	96.4	Very high	6 Å²	6	45 Å²	45	5%	0.05	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	156.3	-175.8	0	0	0	0	0	112.2	V157 F158 G159 S205	V157-A181 PolarHBondContact O-N 2.9Å; F158-A181 VanDerWaalsContact CA-O 3.29Å; F158-A181 WeakPolarHBondContact CA-O 3.34Å; F158-A181 HydrophobicContact CD2-CB 3.86Å; F158-A181 VanDerWaalsContact CD2-O 3.28Å; F158-A181 WeakPolarHBondContact CD2-O 3.42Å; F158-A181 HydrophobicContact CE2-CB 4.08Å; G159-A181 PolarHBondContact N-O 3.45Å; A181-S205 WeakPolarHBondContact CA-O 3.29Å; A181-S205 VanDerWaalsContact CB-OG 3.26Å; A181-S205 WeakPolarHBondContact CB-OG 3.28Å
182	N	95.8	Very high	96.3	Very high	68 Å²	68	42 Å²	42	36%	0.364	20%	0.202	S	C	.	.	S	Bend	trans	56	51.8	-180	-170.2	13.5	0	0	0	112.4	F158 G159 S205 E206	F158-N182 HydrophobicContact CD1-CB 4.24Å; F158-N182 HydrophobicContact CD2-CB 3.8Å; F158-N182 HydrophobicContact CE1-CB 3.82Å; F158-N182 WeakPolarHBondContact CE1-ND2 3.41Å; F158-N182 HydrophobicContact CE2-CB 3.33Å; F158-N182 HydrophobicContact CG-CB 4.23Å; F158-N182 HydrophobicContact CZ-CB 3.35Å; F158-N182 VanDerWaalsContact CZ-ND2 3.25Å; F158-N182 WeakPolarHBondContact CZ-ND2 3.04Å; G159-N182 WeakPolarHBondContact CA-O 3.3Å; G159-N182 PolarHBondContact N-O 3.06Å; N182-S205 PolarHBondContact N-O 3.4Å; N182-E206 CarbonylContact C-O 3.55Å; N182-E206 WeakPolarHBondContact CA-O 3.26Å; N182-E206 HydrophobicContact CB-CB 4.09Å; N182-E206 PolarHBondContact N-O 3.43Å; N182-E206 VanDerWaalsContact N-O 3.13Å
183	D	96	Very high	96.3	Very high	12 Å²	12	42 Å²	42	6%	0.064	20%	0.202	C	C	.	.	S	Bend	trans	-126.4	-164.8	179.6	-91	-44.2	0	0	0	110.2	C160 K161 L162 I185 E206 N207	C160-D183 VanDerWaalsContact C-OD1 3.25Å; C160-D183 WeakPolarHBondContact CA-OD1 3.49Å; C160-D183 PolarHBondContact N-OD1 2.84Å; K161-D183 PolarHBondContact N-OD1 2.8Å; L162-D183 HydrophobicContact CB-CB 4.1Å; L162-D183 PolarHBondContact N-OD1 3.18Å; D183-I185 HydrophobicContact CB-CG1 4.34Å; D183-E206 PolarHBondContact N-O 3.1Å; D183-N207 WeakPolarHBondContact CA-OD1 3.19Å; D183-N207 WeakPolarHBondContact CB-OD1 3.45Å; D183-N207 PolarHBondContact O-OD1 3.4Å
184	Q	95.9	Very high	96.1	Very high	83 Å²	83	41.1 Å²	41.1	39%	0.388	21%	0.205	S	C	.	.			trans	-120	26.7	-179.8	-62.1	-179.4	8.2	0	0	111.6	L162 I163 D186 N207	L162-Q184 CarbonylContact O-C 3.58Å; L162-Q184 WeakPolarHBondContact O-CA 3.45Å; L162-Q184 WeakPolarHBondContact O-CB 3.44Å; L162-Q184 PolarHBondContact O-N 3.15Å; I163-Q184 HydrophobicContact CG2-CB 4.24Å; Q184-D186 PolarHBondContact O-N 3.06Å; Q184-N207 PolarHBondContact N-OD1 3.49Å
185	I	97.3	Very high	95.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.197	C	C	.	.			trans	-64.9	127.2	-179.5	-59.4	174	0	0	0	107.9	L162 I165 M180 D183 L204 N207 N208 M209	L162-I185 HydrophobicContact CB-CG1 4.29Å; L162-I185 PolarHBondContact O-N 3.3Å; I165-I185 HydrophobicContact CG1-CD1 4.42Å; M180-I185 HydrophobicContact CB-CD1 3.9Å; M180-I185 HydrophobicContact SD-CD1 4.19Å; D183-I185 HydrophobicContact CB-CG1 4.34Å; I185-L204 HydrophobicContact CD1-CD2 4.43Å; I185-N207 HydrophobicContact CB-CB 4.39Å; I185-N207 VanDerWaalsContact CB-OD1 3.27Å; I185-N207 WeakPolarHBondContact CB-OD1 3.49Å; I185-N207 WeakPolarHBondContact CG1-OD1 3.42Å; I185-N207 PolarHBondContact N-OD1 2.78Å; I185-N208 CarbonylContact O-C 3.6Å; I185-N208 VanDerWaalsContact O-C 3.31Å; I185-N208 WeakPolarHBondContact O-CA 3.27Å; I185-N208 PolarHBondContact O-N 3.06Å; I185-M209 HydrophobicContact CG2-CG 4.34Å; I185-M209 HydrophobicContact CG2-SD 4.23Å; I185-M209 WeakPolarHBondContact O-CG 3.2Å; I185-M209 PolarHBondContact O-N 3.07Å
186	D	95.6	Very high	95.6	Very high	74 Å²	74	39.7 Å²	39.7	40%	0.396	20%	0.197	S	C	.	.			trans	-98.3	-26.8	-173.9	65.8	-18.8	0	0	0	113.3	Q184 R189 M209	Q184-D186 PolarHBondContact O-N 3.06Å; D186-R189 IonicContact OD1-NH2 3.33Å; D186-R189 PolarHBondContact OD1-NH2 2.82Å; D186-R189 IonicContact OD2-NH2 3.62Å; D186-M209 WeakPolarHBondContact O-CA 3.5Å
187	T	95.7	Very high	95.3	Very high	18 Å²	18	42.4 Å²	42.4	11%	0.11	21%	0.209	C	C	.	.			trans	-163.4	157.1	175.5	-172	0	0	0	0	109.9	R189 K211	T187-R189 HydrophobicContact CG2-CG 4Å; T187-K211 PolarHBondContact OG1-O 2.88Å
188	V	96.8	Very high	95.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-91.3	126	159	-177.2	0	0	0	0	108.2	I165 L193 L204 M209 L212 E213 A216	I165-V188 HydrophobicContact CD1-CB 4.17Å; I165-V188 HydrophobicContact CD1-CG1 3.72Å; I165-V188 HydrophobicContact CD1-CG2 3.69Å; V188-L193 HydrophobicContact CG1-CD1 3.76Å; V188-L193 HydrophobicContact CG1-CG 4.05Å; V188-L204 HydrophobicContact CG2-CD1 3.56Å; V188-M209 HydrophobicContact CG2-SD 4.32Å; V188-L212 HydrophobicContact CB-CD2 3.92Å; V188-L212 HydrophobicContact CG2-CD2 3.74Å; V188-E213 WeakPolarHBondContact O-CB 3.37Å; V188-E213 PolarHBondContact O-N 3.27Å; V188-E213 VanDerWaalsContact O-N 3.1Å; V188-A216 HydrophobicContact CB-CB 4.05Å; V188-A216 HydrophobicContact CG1-CB 3.86Å; V188-A216 WeakPolarHBondContact O-CB 3.38Å
189	R	95.4	Very high	95.2	Very high	91 Å²	91	44 Å²	44	34%	0.343	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-91.1	156.5	178.4	-57.1	179.4	-177.9	70.1	12.7	111.7	D186 T187 G191 E192 E213	D186-R189 IonicContact OD1-NH2 3.33Å; D186-R189 PolarHBondContact OD1-NH2 2.82Å; D186-R189 IonicContact OD2-NH2 3.62Å; T187-R189 HydrophobicContact CG2-CG 4Å; R189-G191 PolarHBondContact O-N 3.2Å; R189-E192 VanDerWaalsContact CB-CD 3.49Å; R189-E192 HydrophobicContact CB-CG 3.93Å; R189-E192 WeakPolarHBondContact CB-OE1 3.46Å; R189-E192 WeakPolarHBondContact CD-OE1 3.35Å; R189-E192 WeakPolarHBondContact CG-OE1 3.3Å; R189-E192 PolarHBondContact N-OE2 3.35Å; R189-E192 IonicContact NH1-OE1 2.65Å; R189-E192 PolarHBondContact NH1-OE1 2.71Å; R189-E192 VanDerWaalsContact NH1-OE1 3.1Å; R189-E192 WeakPolarHBondContact O-CB 3.21Å; R189-E192 PolarHBondContact O-N 3.05Å; R189-E213 WeakPolarHBondContact CA-OE2 3.42Å; R189-E213 VanDerWaalsContact CB-OE2 3.3Å; R189-E213 WeakPolarHBondContact CB-OE2 3.37Å
190	R	94.2	Very high	95.2	Very high	164 Å²	164	46.1 Å²	46.1	62%	0.619	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	124.9	177.9	-173.4	177.6	-179.8	-172.2	1.2	110.6	E213	R190-E213 HydrophobicContact CB-CG 4.4Å; R190-E213 PolarHBondContact N-OE2 2.76Å
191	G	92.4	Very high	95.3	Very high	30 Å²	30	47.2 Å²	47.2	31%	0.309	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	-6.7	177.1	0	0	0	0	0	115.7	R189 L193	R189-G191 PolarHBondContact O-N 3.2Å; G191-L193 PolarHBondContact O-N 3.35Å
192	E	94.5	Very high	95.5	Very high	35 Å²	35	47 Å²	47	16%	0.164	23%	0.225	C	C	.	.	S	Bend	trans	-62.7	-30.8	175.2	-74.1	178.4	170.9	0	0	111.8	R170 R189	R170-E192 WeakPolarHBondContact CB-O 3.36Å; R189-E192 VanDerWaalsContact CB-CD 3.49Å; R189-E192 HydrophobicContact CB-CG 3.93Å; R189-E192 WeakPolarHBondContact CB-OE1 3.46Å; R189-E192 WeakPolarHBondContact CD-OE1 3.35Å; R189-E192 WeakPolarHBondContact CG-OE1 3.3Å; R189-E192 PolarHBondContact N-OE2 3.35Å; R189-E192 IonicContact NH1-OE1 2.65Å; R189-E192 PolarHBondContact NH1-OE1 2.71Å; R189-E192 VanDerWaalsContact NH1-OE1 3.1Å; R189-E192 WeakPolarHBondContact O-CB 3.21Å; R189-E192 PolarHBondContact O-N 3.05Å
193	L	95.8	Very high	95.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-111.4	-2	-177.8	-58.9	177.1	0	0	0	114.8	I165 L178 V188 G191 G195 L196 L202 L217 L220	I165-L193 HydrophobicContact CD1-CD1 4.29Å; I165-L193 HydrophobicContact CD1-CD2 3.85Å; I165-L193 HydrophobicContact CD1-CG 4.11Å; I165-L193 HydrophobicContact CG2-CD2 4.25Å; L178-L193 HydrophobicContact CD2-CD2 3.97Å; V188-L193 HydrophobicContact CG1-CD1 3.76Å; V188-L193 HydrophobicContact CG1-CG 4.05Å; G191-L193 PolarHBondContact O-N 3.35Å; L193-G195 PolarHBondContact O-N 3.39Å; L193-L196 HydrophobicContact CB-CD1 4.25Å; L193-L196 HydrophobicContact CD2-CD1 3.57Å; L193-L196 WeakPolarHBondContact O-CB 3.32Å; L193-L196 WeakPolarHBondContact O-CG 3.42Å; L193-L196 PolarHBondContact O-N 3.34Å; L193-L202 HydrophobicContact CD1-CD2 3.72Å; L193-L217 HydrophobicContact CD1-CD2 4.11Å; L193-L220 HydrophobicContact CB-CD1 4.27Å; L193-L220 HydrophobicContact CB-CD2 4.2Å; L193-L220 HydrophobicContact CD1-CD1 3.98Å
194	L	90.9	Very high	95.7	Very high	102 Å²	102	44.4 Å²	44.4	53%	0.534	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-22.4	-171.7	-176.3	66.7	0	0	0	114.1
195	G	87.5	Confident	95.8	Very high	7 Å²	7	40.8 Å²	40.8	7%	0.072	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-7	-177.6	0	0	0	0	0	116.6	R173 L193 Q197	R173-G195 PolarHBondContact NH1-O 3.31Å; L193-G195 PolarHBondContact O-N 3.39Å; G195-Q197 PolarHBondContact O-N 3.38Å
196	L	96.5	Very high	95.8	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.			trans	-96.1	61.2	-166.4	-55.4	-179.7	0	0	0	112.7	V169 L172 L175 L178 L193 Q198 L199 L220	V169-L196 HydrophobicContact CG1-CD1 3.93Å; V169-L196 HydrophobicContact CG1-CD2 4.3Å; V169-L196 WeakPolarHBondContact O-CD2 3.2Å; L172-L196 HydrophobicContact CB-CD2 4.33Å; L172-L196 VanDerWaalsContact O-CD2 3.32Å; L172-L196 WeakPolarHBondContact O-CD2 3.45Å; L175-L196 HydrophobicContact CB-CD2 4.19Å; L175-L196 HydrophobicContact CD2-CD1 4.29Å; L175-L196 HydrophobicContact CD2-CD2 3.95Å; L178-L196 HydrophobicContact CD2-CD1 4.13Å; L193-L196 HydrophobicContact CB-CD1 4.25Å; L193-L196 HydrophobicContact CD2-CD1 3.57Å; L193-L196 WeakPolarHBondContact O-CB 3.32Å; L193-L196 WeakPolarHBondContact O-CG 3.42Å; L193-L196 PolarHBondContact O-N 3.34Å; L196-Q198 PolarHBondContact O-N 3.39Å; L196-Q198 VanDerWaalsContact O-N 3.13Å; L196-L199 HydrophobicContact CB-CB 3.95Å; L196-L199 HydrophobicContact CB-CD2 4.35Å; L196-L199 HydrophobicContact CD1-CD1 4.46Å; L196-L199 HydrophobicContact CD1-CD2 3.91Å; L196-L199 VanDerWaalsContact O-CB 3.32Å; L196-L199 WeakPolarHBondContact O-CB 3.3Å; L196-L199 PolarHBondContact O-N 2.96Å; L196-L199 VanDerWaalsContact O-N 3.1Å; L196-L220 HydrophobicContact CB-CD2 4Å
197	Q	93.2	Very high	95.9	Very high	127 Å²	127	41.1 Å²	41.1	59%	0.593	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-12.6	-173.9	-65.1	-179.8	-24.5	0	0	114.8	G195 K222	G195-Q197 PolarHBondContact O-N 3.38Å; Q197-K222 WeakPolarHBondContact O-CD 3.3Å; Q197-K222 WeakPolarHBondContact O-CG 3.32Å
198	Q	97.3	Very high	96	Very high	64 Å²	64	45.7 Å²	45.7	30%	0.299	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-2.6	176.8	-55.2	-52.3	-43.2	0	0	113	R173 L175 E176 L196 R200	R173-Q198 WeakPolarHBondContact O-CG 3.3Å; L175-Q198 CarbonylContact O-C 3.46Å; L175-Q198 WeakPolarHBondContact O-CB 3.5Å; E176-Q198 WeakPolarHBondContact CA-O 3.24Å; E176-Q198 HydrophobicContact CG-CB 4.3Å; L196-Q198 PolarHBondContact O-N 3.39Å; L196-Q198 VanDerWaalsContact O-N 3.13Å; Q198-R200 PolarHBondContact O-N 2.91Å
199	L	98.5	Very high	96	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	22%	0.219	C	C	.	.			trans	-65.6	123.1	-172.4	-162.9	70.8	0	0	0	110.8	L175 L178 L196 T201 L202 L220 K222 L223	L175-L199 HydrophobicContact CD2-CD1 4.17Å; L175-L199 HydrophobicContact CG-CD1 4.23Å; L175-L199 WeakPolarHBondContact O-CA 3.31Å; L175-L199 PolarHBondContact O-N 2.88Å; L175-L199 VanDerWaalsContact O-N 3.08Å; L178-L199 HydrophobicContact CB-CD1 3.72Å; L196-L199 HydrophobicContact CB-CB 3.95Å; L196-L199 HydrophobicContact CB-CD2 4.35Å; L196-L199 HydrophobicContact CD1-CD1 4.46Å; L196-L199 HydrophobicContact CD1-CD2 3.91Å; L196-L199 VanDerWaalsContact O-CB 3.32Å; L196-L199 WeakPolarHBondContact O-CB 3.3Å; L196-L199 PolarHBondContact O-N 2.96Å; L196-L199 VanDerWaalsContact O-N 3.1Å; L199-T201 WeakPolarHBondContact CD1-O 3.47Å; L199-L202 HydrophobicContact CD2-CB 4.09Å; L199-L202 HydrophobicContact CD2-CD1 4.44Å; L199-L220 HydrophobicContact CB-CD2 4.3Å; L199-L220 HydrophobicContact CD2-CD1 4.33Å; L199-L220 HydrophobicContact CD2-CD2 3.99Å; L199-K222 CarbonylContact O-C 3.53Å; L199-L223 HydrophobicContact CD2-CD1 4.03Å; L199-L223 HydrophobicContact CG-CD1 3.98Å; L199-L223 VanDerWaalsContact O-CA 3.28Å; L199-L223 WeakPolarHBondContact O-CA 3.48Å; L199-L223 PolarHBondContact O-N 3.28Å; L199-L223 VanDerWaalsContact O-N 3.08Å
200	R	98.7	Very high	96	Very high	87 Å²	87	43.9 Å²	43.9	33%	0.328	22%	0.223	S	C	.	.			trans	-108.6	-36.3	177.8	-66	177.5	177.6	-83.3	0.9	111.9	E176 Q198 E224 N225	E176-R200 WeakPolarHBondContact O-CA 3.35Å; E176-R200 PolarHBondContact O-N 3.08Å; E176-R200 IonicContact OE2-NE 3.25Å; Q198-R200 PolarHBondContact O-N 2.91Å; R200-E224 IonicContact NH1-OE1 3.95Å; R200-E224 PolarHBondContact NH1-OE1 2.95Å; R200-E224 IonicContact NH1-OE2 3.88Å; R200-E224 PolarHBondContact O-N 2.92Å; R200-N225 PolarHBondContact O-N 2.67Å
201	T	98.8	Very high	96.1	Very high	23 Å²	23	42.8 Å²	42.8	14%	0.141	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.2	179.7	-57.5	0	0	0	0	110.3	E176 V177 L178 L199 N225	E176-T201 PolarHBondContact O-N 3.4Å; V177-T201 HydrophobicContact CG1-CG2 4.36Å; L178-T201 PolarHBondContact N-O 2.83Å; L199-T201 WeakPolarHBondContact CD1-O 3.47Å; T201-N225 WeakPolarHBondContact CA-O 3.4Å; T201-N225 HydrophobicContact CG2-CB 4.06Å; T201-N225 PolarHBondContact OG1-ND2 3.05Å; T201-N225 VanDerWaalsContact OG1-ND2 3.09Å
202	L	98.5	Very high	96.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	114.4	171.8	177.2	59.6	0	0	0	108.5	L178 L193 L199 L204 L217 L220 L223 N225 L226 I227	L178-L202 HydrophobicContact CB-CD1 4.11Å; L178-L202 HydrophobicContact CD2-CD1 3.89Å; L178-L202 HydrophobicContact CG-CD1 4.09Å; L178-L202 WeakPolarHBondContact O-CA 3.4Å; L193-L202 HydrophobicContact CD1-CD2 3.72Å; L199-L202 HydrophobicContact CD2-CB 4.09Å; L199-L202 HydrophobicContact CD2-CD1 4.44Å; L202-L204 HydrophobicContact CD1-CD1 4.21Å; L202-L204 HydrophobicContact CD1-CD2 4.06Å; L202-L204 HydrophobicContact CD1-CG 3.91Å; L202-L204 HydrophobicContact CD2-CD1 4.07Å; L202-L204 HydrophobicContact CG-CD1 4.1Å; L202-L204 HydrophobicContact CG-CG 4.04Å; L202-L217 HydrophobicContact CD2-CD2 4.15Å; L202-L220 HydrophobicContact CD2-CD1 4.41Å; L202-L223 HydrophobicContact CB-CD1 3.76Å; L202-L223 HydrophobicContact CB-CD2 4.41Å; L202-N225 PolarHBondContact N-O 3.29Å; L202-L226 HydrophobicContact CB-CD1 4.04Å; L202-L226 HydrophobicContact CD2-CD1 3.91Å; L202-L226 HydrophobicContact CG-CD1 4.03Å; L202-I227 PolarHBondContact O-N 3.43Å
203	D	98.6	Very high	96.3	Very high	25 Å²	25	44.5 Å²	44.5	13%	0.134	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.8	174.6	-174	-6.5	0	0	0	110.1	L178 E179 M180 S205 I227	L178-D203 PolarHBondContact O-N 2.91Å; E179-D203 HydrophobicContact CB-CB 4.31Å; E179-D203 HydrophobicContact CG-CB 4Å; M180-D203 PolarHBondContact N-O 3.45Å; D203-S205 VanDerWaalsContact OD1-CB 3.22Å; D203-S205 WeakPolarHBondContact OD1-CB 3.33Å; D203-S205 PolarHBondContact OD1-N 3.32Å; D203-S205 PolarHBondContact OD1-OG 3.41Å; D203-I227 HydrophobicContact CB-CB 4.01Å; D203-I227 HydrophobicContact CB-CD1 4.27Å; D203-I227 WeakPolarHBondContact OD1-CG2 3.49Å
204	L	98.1	Very high	96.2	Very high	1 Å²	1	52 Å²	52	1%	0.005	26%	0.259	C	S	.	.			trans	-130.6	26.9	177.2	-57.9	171.3	0	0	0	110.5	M180 I185 V188 L202 N207 M209 I227 L228 N232	M180-L204 HydrophobicContact CB-CD2 4.04Å; I185-L204 HydrophobicContact CD1-CD2 4.43Å; V188-L204 HydrophobicContact CG2-CD1 3.56Å; L202-L204 HydrophobicContact CD1-CD1 4.21Å; L202-L204 HydrophobicContact CD1-CD2 4.06Å; L202-L204 HydrophobicContact CD1-CG 3.91Å; L202-L204 HydrophobicContact CD2-CD1 4.07Å; L202-L204 HydrophobicContact CG-CD1 4.1Å; L202-L204 HydrophobicContact CG-CG 4.04Å; L204-N207 PolarHBondContact O-ND2 3.13Å; L204-M209 HydrophobicContact CB-CE 3.27Å; L204-M209 HydrophobicContact CB-SD 4.34Å; L204-M209 HydrophobicContact CD1-CE 4.08Å; L204-M209 HydrophobicContact CD1-SD 4.19Å; L204-M209 HydrophobicContact CG-CE 4.27Å; L204-M209 WeakPolarHBondContact O-CE 3.38Å; L204-I227 PolarHBondContact N-O 2.99Å; L204-L228 HydrophobicContact CB-CD2 4.29Å; L204-L228 HydrophobicContact CD1-CD2 4.35Å; L204-N232 PolarHBondContact O-ND2 3.38Å
205	S	98	Very high	96.3	Very high	8 Å²	8	47.5 Å²	47.5	6%	0.056	24%	0.237	C	C	.	.			trans	-60.8	161.7	175.8	56.6	0	0	0	0	112.9	A181 N182 D203 N207 G229	A181-S205 WeakPolarHBondContact CA-O 3.29Å; A181-S205 VanDerWaalsContact CB-OG 3.26Å; A181-S205 WeakPolarHBondContact CB-OG 3.28Å; N182-S205 PolarHBondContact N-O 3.4Å; D203-S205 VanDerWaalsContact OD1-CB 3.22Å; D203-S205 WeakPolarHBondContact OD1-CB 3.33Å; D203-S205 PolarHBondContact OD1-N 3.32Å; D203-S205 PolarHBondContact OD1-OG 3.41Å; S205-N207 PolarHBondContact O-N 3.33Å; S205-N207 PolarHBondContact O-ND2 2.92Å; S205-G229 VanDerWaalsContact CB-C 3.46Å; S205-G229 WeakPolarHBondContact CB-O 3.35Å
206	E	97.8	Very high	96.6	Very high	66 Å²	66	47.2 Å²	47.2	31%	0.308	23%	0.234	S	C	.	.	S	Bend	trans	51.1	53.7	176.8	-60.1	179.4	-135.4	0	0	112.5	N182 D183 P230 D231	N182-E206 CarbonylContact C-O 3.55Å; N182-E206 WeakPolarHBondContact CA-O 3.26Å; N182-E206 HydrophobicContact CB-CB 4.09Å; N182-E206 PolarHBondContact N-O 3.43Å; N182-E206 VanDerWaalsContact N-O 3.13Å; D183-E206 PolarHBondContact N-O 3.1Å; E206-P230 WeakPolarHBondContact CA-O 3.42Å; E206-P230 HydrophobicContact CG-CG 3.91Å; E206-P230 PolarHBondContact N-O 2.8Å; E206-D231 HydrophobicContact CG-CB 4.19Å
207	N	97.7	Very high	96.6	Very high	14 Å²	14	47.3 Å²	47.3	8%	0.075	23%	0.234	C	C	.	.	S	Bend	trans	-125.1	-166.5	179.3	-88.2	-77.1	0	0	0	110.3	M180 D183 Q184 I185 L204 S205 M209 D231 N232	M180-N207 PolarHBondContact O-ND2 3.17Å; D183-N207 WeakPolarHBondContact CA-OD1 3.19Å; D183-N207 WeakPolarHBondContact CB-OD1 3.45Å; D183-N207 PolarHBondContact O-OD1 3.4Å; Q184-N207 PolarHBondContact N-OD1 3.49Å; I185-N207 HydrophobicContact CB-CB 4.39Å; I185-N207 VanDerWaalsContact CB-OD1 3.27Å; I185-N207 WeakPolarHBondContact CB-OD1 3.49Å; I185-N207 WeakPolarHBondContact CG1-OD1 3.42Å; I185-N207 PolarHBondContact N-OD1 2.78Å; L204-N207 PolarHBondContact O-ND2 3.13Å; S205-N207 PolarHBondContact O-N 3.33Å; S205-N207 PolarHBondContact O-ND2 2.92Å; N207-M209 HydrophobicContact CB-CE 4.12Å; N207-M209 HydrophobicContact CB-CG 4.24Å; N207-D231 PolarHBondContact N-O 2.95Å; N207-N232 WeakPolarHBondContact CA-OD1 3.32Å; N207-N232 VanDerWaalsContact CB-OD1 3.27Å; N207-N232 WeakPolarHBondContact CB-OD1 3.47Å; N207-N232 PolarHBondContact N-OD1 2.81Å; N207-N232 PolarHBondContact O-OD1 3.04Å
208	N	95.8	Very high	96.6	Very high	114 Å²	114	45.7 Å²	45.7	61%	0.61	23%	0.227	S	C	*	.			trans	-111.4	33.5	176.7	-169	39.2	0	0	0	111.8	I185	I185-N208 CarbonylContact O-C 3.6Å; I185-N208 VanDerWaalsContact O-C 3.31Å; I185-N208 WeakPolarHBondContact O-CA 3.27Å; I185-N208 PolarHBondContact O-N 3.06Å
209	M	97.4	Very high	96.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.224	C	C	.	.			trans	-86.9	132.1	-174.8	-61.6	-173.1	-72.5	0	0	111.9	I185 D186 V188 L204 N207 L212 L228 N232 A233 F234	I185-M209 HydrophobicContact CG2-CG 4.34Å; I185-M209 HydrophobicContact CG2-SD 4.23Å; I185-M209 WeakPolarHBondContact O-CG 3.2Å; I185-M209 PolarHBondContact O-N 3.07Å; D186-M209 WeakPolarHBondContact O-CA 3.5Å; V188-M209 HydrophobicContact CG2-SD 4.32Å; L204-M209 HydrophobicContact CB-CE 3.27Å; L204-M209 HydrophobicContact CB-SD 4.34Å; L204-M209 HydrophobicContact CD1-CE 4.08Å; L204-M209 HydrophobicContact CD1-SD 4.19Å; L204-M209 HydrophobicContact CG-CE 4.27Å; L204-M209 WeakPolarHBondContact O-CE 3.38Å; N207-M209 HydrophobicContact CB-CE 4.12Å; N207-M209 HydrophobicContact CB-CG 4.24Å; M209-L212 HydrophobicContact SD-CD2 4.42Å; M209-L228 HydrophobicContact CE-CD2 4.39Å; M209-N232 WeakPolarHBondContact CB-OD1 3.42Å; M209-N232 PolarHBondContact N-OD1 3.41Å; M209-A233 CarbonylContact O-C 3.58Å; M209-A233 WeakPolarHBondContact O-CA 3.49Å; M209-A233 PolarHBondContact O-N 2.9Å; M209-F234 HydrophobicContact CB-CE1 4.05Å; M209-F234 HydrophobicContact CB-CE2 3.74Å; M209-F234 HydrophobicContact CB-CZ 3.41Å; M209-F234 VanDerWaalsContact CB-CZ 3.41Å; M209-F234 HydrophobicContact CE-CE2 3.71Å; M209-F234 HydrophobicContact CE-CZ 3.74Å; M209-F234 HydrophobicContact CG-CZ 4.25Å; M209-F234 HydrophobicContact SD-CE2 4.41Å; M209-F234 HydrophobicContact SD-CZ 3.85Å
210	A	96.2	Very high	96.2	Very high	53 Å²	53	43.8 Å²	43.8	44%	0.438	22%	0.224	S	C	.	.	S	Bend	trans	-112.3	-15.8	171.5	0	0	0	0	0	113.1	A233	A210-A233 HydrophobicContact CB-CB 4.07Å
211	K	95.2	Very high	96	Very high	141 Å²	141	44.1 Å²	44.1	61%	0.613	23%	0.232	S	C	*	.			trans	-159.3	166.1	-177	63.6	176.4	-177.7	175.2	0	110.7	T187	T187-K211 PolarHBondContact OG1-O 2.88Å
212	L	95.7	Very high	96	Very high	14 Å²	14	46.9 Å²	46.9	7%	0.073	24%	0.242	C	C	.	.			trans	-109.1	149.9	164.4	-57	176.8	0	0	0	108.2	V188 M209 A216 L217 F234 V238 E241	V188-L212 HydrophobicContact CB-CD2 3.92Å; V188-L212 HydrophobicContact CG2-CD2 3.74Å; M209-L212 HydrophobicContact SD-CD2 4.42Å; L212-A216 HydrophobicContact CB-CB 4.15Å; L212-L217 HydrophobicContact CD1-CD1 3.7Å; L212-L217 HydrophobicContact CD1-CD2 4.26Å; L212-L217 HydrophobicContact CD1-CG 3.96Å; L212-F234 HydrophobicContact CD2-CE1 4.04Å; L212-F234 HydrophobicContact CD2-CZ 4Å; L212-F234 HydrophobicContact CG-CE1 3.98Å; L212-F234 HydrophobicContact CG-CZ 4.38Å; L212-V238 HydrophobicContact CD1-CG2 3.82Å; L212-V238 HydrophobicContact CG-CG2 4.09Å; L212-E241 HydrophobicContact CB-CG 4.19Å; L212-E241 HydrophobicContact CD1-CB 4.35Å
213	E	95.3	Very high	95.9	Very high	87 Å²	87	46.9 Å²	46.9	41%	0.407	24%	0.242	S	C	.	.			trans	-69.1	150.7	169.9	-167.1	-179	169.2	0	0	110.3	V188 R189 R190 G215 A216	V188-E213 WeakPolarHBondContact O-CB 3.37Å; V188-E213 PolarHBondContact O-N 3.27Å; V188-E213 VanDerWaalsContact O-N 3.1Å; R189-E213 WeakPolarHBondContact CA-OE2 3.42Å; R189-E213 VanDerWaalsContact CB-OE2 3.3Å; R189-E213 WeakPolarHBondContact CB-OE2 3.37Å; R190-E213 HydrophobicContact CB-CG 4.4Å; R190-E213 PolarHBondContact N-OE2 2.76Å; E213-G215 PolarHBondContact O-N 3.1Å; E213-A216 HydrophobicContact CB-CB 4.42Å; E213-A216 WeakPolarHBondContact O-CB 3.22Å; E213-A216 PolarHBondContact O-N 3.24Å
214	Q	94.3	Very high	95.9	Very high	158 Å²	158	48.1 Å²	48.1	74%	0.738	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	122.4	177.3	-170.7	-178.2	2.8	0	0	111.6	A216 E241	Q214-A216 VanDerWaalsContact C-N 3.31Å; Q214-E241 WeakPolarHBondContact CA-OE1 3.28Å
215	G	92.8	Very high	96	Very high	7 Å²	7	50.1 Å²	50.1	7%	0.072	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	16.6	-175.9	0	0	0	0	0	113.9	E213 L217 Q218 E241	E213-G215 PolarHBondContact O-N 3.1Å; G215-L217 PolarHBondContact O-N 2.95Å; G215-Q218 WeakPolarHBondContact O-CB 3.48Å; G215-Q218 PolarHBondContact O-N 3.38Å; G215-E241 PolarHBondContact N-OE2 2.95Å
216	A	94.9	Very high	96	Very high	2 Å²	2	49.8 Å²	49.8	2%	0.017	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-35.2	174.6	0	0	0	0	0	112.8	V188 L212 E213 Q214	V188-A216 HydrophobicContact CB-CB 4.05Å; V188-A216 HydrophobicContact CG1-CB 3.86Å; V188-A216 WeakPolarHBondContact O-CB 3.38Å; L212-A216 HydrophobicContact CB-CB 4.15Å; E213-A216 HydrophobicContact CB-CB 4.42Å; E213-A216 WeakPolarHBondContact O-CB 3.22Å; E213-A216 PolarHBondContact O-N 3.24Å; Q214-A216 VanDerWaalsContact C-N 3.31Å
217	L	95.2	Very high	96	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	10	-179.4	-53.4	-175.7	0	0	0	113.2	L193 L202 L212 G215 G219 L220 L226 L242 L245	L193-L217 HydrophobicContact CD1-CD2 4.11Å; L202-L217 HydrophobicContact CD2-CD2 4.15Å; L212-L217 HydrophobicContact CD1-CD1 3.7Å; L212-L217 HydrophobicContact CD1-CD2 4.26Å; L212-L217 HydrophobicContact CD1-CG 3.96Å; G215-L217 PolarHBondContact O-N 2.95Å; L217-G219 PolarHBondContact O-N 3.34Å; L217-L220 HydrophobicContact CB-CD1 4.2Å; L217-L220 HydrophobicContact CD2-CD1 4.01Å; L217-L220 WeakPolarHBondContact O-CB 3.18Å; L217-L220 WeakPolarHBondContact O-CG 3.09Å; L217-L220 PolarHBondContact O-N 3.46Å; L217-L226 HydrophobicContact CD1-CD2 4.12Å; L217-L242 HydrophobicContact CD1-CD2 3.84Å; L217-L245 HydrophobicContact CB-CD2 4.12Å; L217-L245 HydrophobicContact CD1-CD1 3.93Å
218	Q	93.2	Very high	96.1	Very high	94 Å²	94	47.7 Å²	47.7	44%	0.439	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	130.9	-177.5	-173.6	176.3	16.8	0	0	111.5	G215	G215-Q218 WeakPolarHBondContact O-CB 3.48Å; G215-Q218 PolarHBondContact O-N 3.38Å
219	G	92.5	Very high	96	Very high	23 Å²	23	42.3 Å²	42.3	24%	0.237	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	2	177.1	0	0	0	0	0	114.9	L217 D221	L217-G219 PolarHBondContact O-N 3.34Å; G219-D221 PolarHBondContact O-N 3.47Å
220	L	96.2	Very high	96	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.226	C	C	.	.			trans	-80.6	53.5	172.7	-59.7	-177.5	0	0	0	111.3	L193 L196 L199 L202 L217 K222 L223 L245	L193-L220 HydrophobicContact CB-CD1 4.27Å; L193-L220 HydrophobicContact CB-CD2 4.2Å; L193-L220 HydrophobicContact CD1-CD1 3.98Å; L196-L220 HydrophobicContact CB-CD2 4Å; L199-L220 HydrophobicContact CB-CD2 4.3Å; L199-L220 HydrophobicContact CD2-CD1 4.33Å; L199-L220 HydrophobicContact CD2-CD2 3.99Å; L202-L220 HydrophobicContact CD2-CD1 4.41Å; L217-L220 HydrophobicContact CB-CD1 4.2Å; L217-L220 HydrophobicContact CD2-CD1 4.01Å; L217-L220 WeakPolarHBondContact O-CB 3.18Å; L217-L220 WeakPolarHBondContact O-CG 3.09Å; L217-L220 PolarHBondContact O-N 3.46Å; L220-K222 PolarHBondContact O-N 2.91Å; L220-K222 VanDerWaalsContact O-N 3.14Å; L220-L223 HydrophobicContact CB-CB 4.06Å; L220-L223 HydrophobicContact CB-CD2 4.46Å; L220-L223 HydrophobicContact CD1-CD2 4.19Å; L220-L223 VanDerWaalsContact O-CB 3.31Å; L220-L223 WeakPolarHBondContact O-CB 3.3Å; L220-L223 PolarHBondContact O-N 3.34Å; L220-L223 VanDerWaalsContact O-N 3.08Å; L220-L245 HydrophobicContact CB-CD2 3.93Å
221	D	94.8	Very high	95.9	Very high	94 Å²	94	44.5 Å²	44.5	50%	0.503	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.8	-170	-61.2	-37.3	0	0	0	112.9	G219 N247	G219-D221 PolarHBondContact O-N 3.47Å; D221-N247 PolarHBondContact O-ND2 2.76Å
222	K	97.2	Very high	96	Very high	82 Å²	82	38.2 Å²	38.2	36%	0.357	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	2.2	178.6	-66.4	-162.1	-177.3	-174.5	0	114.3	Q197 L199 L220 E224	Q197-K222 WeakPolarHBondContact O-CD 3.3Å; Q197-K222 WeakPolarHBondContact O-CG 3.32Å; L199-K222 CarbonylContact O-C 3.53Å; L220-K222 PolarHBondContact O-N 2.91Å; L220-K222 VanDerWaalsContact O-N 3.14Å; K222-E224 PolarHBondContact O-N 2.94Å
223	L	98.1	Very high	96.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.			trans	-68.3	122.8	-176.3	-165.4	72.9	0	0	0	110	L199 L202 L220 L226 L245 N247 L248	L199-L223 HydrophobicContact CD2-CD1 4.03Å; L199-L223 HydrophobicContact CG-CD1 3.98Å; L199-L223 VanDerWaalsContact O-CA 3.28Å; L199-L223 WeakPolarHBondContact O-CA 3.48Å; L199-L223 PolarHBondContact O-N 3.28Å; L199-L223 VanDerWaalsContact O-N 3.08Å; L202-L223 HydrophobicContact CB-CD1 3.76Å; L202-L223 HydrophobicContact CB-CD2 4.41Å; L220-L223 HydrophobicContact CB-CB 4.06Å; L220-L223 HydrophobicContact CB-CD2 4.46Å; L220-L223 HydrophobicContact CD1-CD2 4.19Å; L220-L223 VanDerWaalsContact O-CB 3.31Å; L220-L223 WeakPolarHBondContact O-CB 3.3Å; L220-L223 PolarHBondContact O-N 3.34Å; L220-L223 VanDerWaalsContact O-N 3.08Å; L223-L226 HydrophobicContact CD2-CB 4.37Å; L223-L226 HydrophobicContact CD2-CD1 4.38Å; L223-L245 HydrophobicContact CB-CD2 4.24Å; L223-L245 HydrophobicContact CD2-CD1 3.9Å; L223-L245 HydrophobicContact CD2-CD2 3.91Å; L223-N247 CarbonylContact O-C 3.5Å; L223-L248 WeakPolarHBondContact O-CA 3.18Å; L223-L248 PolarHBondContact O-N 3.48Å
224	E	98.5	Very high	96.2	Very high	51 Å²	51	34.6 Å²	34.6	24%	0.238	18%	0.183	C	C	.	.			trans	-111.1	-37.1	-178.1	-73.2	171	-167.2	0	0	110.9	R200 K222 R249 Q250	R200-E224 IonicContact NH1-OE1 3.95Å; R200-E224 PolarHBondContact NH1-OE1 2.95Å; R200-E224 IonicContact NH1-OE2 3.88Å; R200-E224 PolarHBondContact O-N 2.92Å; K222-E224 PolarHBondContact O-N 2.94Å; E224-R249 HydrophobicContact CB-CG 4.45Å; E224-R249 HydrophobicContact CG-CG 4.47Å; E224-R249 WeakPolarHBondContact O-CA 3.47Å; E224-R249 PolarHBondContact O-N 2.91Å; E224-Q250 PolarHBondContact O-N 3.47Å
225	N	98.8	Very high	96.3	Very high	42 Å²	42	29.7 Å²	29.7	23%	0.225	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121	-176.8	-50.6	-41.3	0	0	0	110.1	R200 T201 L202 Q250	R200-N225 PolarHBondContact O-N 2.67Å; T201-N225 WeakPolarHBondContact CA-O 3.4Å; T201-N225 HydrophobicContact CG2-CB 4.06Å; T201-N225 PolarHBondContact OG1-ND2 3.05Å; T201-N225 VanDerWaalsContact OG1-ND2 3.09Å; L202-N225 PolarHBondContact N-O 3.29Å; N225-Q250 HydrophobicContact CB-CB 4.36Å; N225-Q250 WeakPolarHBondContact OD1-CB 3.46Å
226	L	98.4	Very high	96.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	114.3	175.1	-179.7	60.5	0	0	0	109.7	L202 L217 L223 L228 L242 L245 L248 Q250 L251 K252	L202-L226 HydrophobicContact CB-CD1 4.04Å; L202-L226 HydrophobicContact CD2-CD1 3.91Å; L202-L226 HydrophobicContact CG-CD1 4.03Å; L217-L226 HydrophobicContact CD1-CD2 4.12Å; L223-L226 HydrophobicContact CD2-CB 4.37Å; L223-L226 HydrophobicContact CD2-CD1 4.38Å; L226-L228 HydrophobicContact CD1-CD2 3.95Å; L226-L228 HydrophobicContact CD1-CG 4.14Å; L226-L228 HydrophobicContact CD2-CD1 4.04Å; L226-L228 HydrophobicContact CD2-CG 4.36Å; L226-L228 HydrophobicContact CG-CD1 4.17Å; L226-L228 HydrophobicContact CG-CD2 4.31Å; L226-L228 HydrophobicContact CG-CG 3.94Å; L226-L242 HydrophobicContact CD2-CD2 3.28Å; L226-L245 HydrophobicContact CD2-CD1 4.04Å; L226-L248 HydrophobicContact CB-CD1 3.68Å; L226-Q250 PolarHBondContact N-O 2.93Å; L226-L251 HydrophobicContact CB-CD1 4.38Å; L226-L251 HydrophobicContact CD2-CD1 4.2Å; L226-L251 HydrophobicContact CG-CD1 4.33Å; L226-L251 WeakPolarHBondContact O-CA 3.46Å; L226-K252 PolarHBondContact O-N 2.9Å
227	I	98.6	Very high	96.3	Very high	36 Å²	36	34.9 Å²	34.9	19%	0.185	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113	-178.4	-55.2	172	0	0	0	108.3	L202 D203 L204 G229 K252	L202-I227 PolarHBondContact O-N 3.43Å; D203-I227 HydrophobicContact CB-CB 4.01Å; D203-I227 HydrophobicContact CB-CD1 4.27Å; D203-I227 WeakPolarHBondContact OD1-CG2 3.49Å; L204-I227 PolarHBondContact N-O 2.99Å; I227-G229 VanDerWaalsContact CG2-O 3.28Å; I227-G229 WeakPolarHBondContact CG2-O 3.12Å; I227-K252 HydrophobicContact CB-CB 4.36Å; I227-K252 HydrophobicContact CG1-CB 4.34Å; I227-K252 HydrophobicContact CG1-CG 4.07Å; I227-K252 HydrophobicContact CG2-CB 4.07Å; I227-K252 HydrophobicContact CG2-CG 4.48Å
228	L	98.2	Very high	96.3	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.			trans	-120.9	-2.9	-178.8	-62.8	177.1	0	0	0	112.2	L204 M209 L226 N232 F234 V238 K252 L253 N256	L204-L228 HydrophobicContact CB-CD2 4.29Å; L204-L228 HydrophobicContact CD1-CD2 4.35Å; M209-L228 HydrophobicContact CE-CD2 4.39Å; L226-L228 HydrophobicContact CD1-CD2 3.95Å; L226-L228 HydrophobicContact CD1-CG 4.14Å; L226-L228 HydrophobicContact CD2-CD1 4.04Å; L226-L228 HydrophobicContact CD2-CG 4.36Å; L226-L228 HydrophobicContact CG-CD1 4.17Å; L226-L228 HydrophobicContact CG-CD2 4.31Å; L226-L228 HydrophobicContact CG-CG 3.94Å; L228-N232 PolarHBondContact O-ND2 3.37Å; L228-F234 HydrophobicContact CB-CD2 3.96Å; L228-F234 HydrophobicContact CB-CE2 3.79Å; L228-F234 HydrophobicContact CD1-CD2 4.44Å; L228-F234 HydrophobicContact CD1-CE2 4.22Å; L228-F234 HydrophobicContact CD1-CZ 4.43Å; L228-F234 HydrophobicContact CD2-CE2 3.89Å; L228-F234 HydrophobicContact CD2-CZ 4.08Å; L228-F234 HydrophobicContact CG-CE2 4.18Å; L228-V238 HydrophobicContact CD1-CG2 3.81Å; L228-K252 WeakPolarHBondContact CA-O 3.24Å; L228-K252 WeakPolarHBondContact CB-O 3.03Å; L228-K252 PolarHBondContact N-O 2.84Å; L228-L253 HydrophobicContact CB-CD2 3.91Å; L228-L253 HydrophobicContact CD1-CD2 3.89Å; L228-N256 PolarHBondContact O-ND2 3.41Å
229	G	95.6	Very high	96.3	Very high	2 Å²	2	30.6 Å²	30.6	2%	0.021	18%	0.175	C	C	.	.			trans	-128.1	158.2	175.3	0	0	0	0	0	111	S205 I227 K252 N254	S205-G229 VanDerWaalsContact CB-C 3.46Å; S205-G229 WeakPolarHBondContact CB-O 3.35Å; I227-G229 VanDerWaalsContact CG2-O 3.28Å; I227-G229 WeakPolarHBondContact CG2-O 3.12Å; G229-K252 PolarHBondContact N-O 3.27Å; G229-N254 VanDerWaalsContact C-OD1 3.29Å; G229-N254 VanDerWaalsContact CA-O 3.24Å; G229-N254 WeakPolarHBondContact CA-O 3.45Å; G229-N254 WeakPolarHBondContact CA-OD1 3.35Å; G229-N254 PolarHBondContact O-OD1 3.44Å
230	P	96.8	Very high	96.2	Very high	27 Å²	27	33.5 Å²	33.5	18%	0.175	19%	0.185	C	C	.	.	S	Bend	cis	-80	177.8	7.3	32.6	-36.1	0	0	0	114.8	E206 N232 N254 K255	E206-P230 WeakPolarHBondContact CA-O 3.42Å; E206-P230 HydrophobicContact CG-CG 3.91Å; E206-P230 PolarHBondContact N-O 2.8Å; P230-N232 PolarHBondContact O-N 3.31Å; P230-N254 WeakPolarHBondContact CA-O 3.39Å; P230-K255 HydrophobicContact CB-CB 3.82Å; P230-K255 HydrophobicContact CB-CD 3.75Å; P230-K255 HydrophobicContact CB-CG 4.14Å
231	D	94.2	Very high	96	Very high	71 Å²	71	34.6 Å²	34.6	38%	0.38	19%	0.19	S	C	.	.	S	Bend	trans	59	50	160.6	-54.4	-38.8	0	0	0	115.2	E206 N207 K255	E206-D231 HydrophobicContact CG-CB 4.19Å; N207-D231 PolarHBondContact N-O 2.95Å; D231-K255 PolarHBondContact N-O 2.87Å; D231-K255 VanDerWaalsContact N-O 3.1Å
232	N	97.7	Very high	95.9	Very high	10 Å²	10	30.1 Å²	30.1	5%	0.053	17%	0.166	C	C	.	.			trans	-119.6	-175.9	160.6	-85.9	-62.9	0	0	0	108.9	L204 N207 M209 L228 P230 F234 N256	L204-N232 PolarHBondContact O-ND2 3.38Å; N207-N232 WeakPolarHBondContact CA-OD1 3.32Å; N207-N232 VanDerWaalsContact CB-OD1 3.27Å; N207-N232 WeakPolarHBondContact CB-OD1 3.47Å; N207-N232 PolarHBondContact N-OD1 2.81Å; N207-N232 PolarHBondContact O-OD1 3.04Å; M209-N232 WeakPolarHBondContact CB-OD1 3.42Å; M209-N232 PolarHBondContact N-OD1 3.41Å; L228-N232 PolarHBondContact O-ND2 3.37Å; P230-N232 PolarHBondContact O-N 3.31Å; N232-F234 HydrophobicContact CB-CD2 3.68Å; N232-F234 HydrophobicContact CB-CE2 3.91Å; N232-N256 WeakPolarHBondContact CB-OD1 3.27Å; N232-N256 PolarHBondContact O-OD1 3.04Å
233	A	97.4	Very high	95.4	Very high	24 Å²	24	30.4 Å²	30.4	20%	0.198	17%	0.168	C	C	.	.			trans	-117.3	26.5	179.8	0	0	0	0	0	112.7	M209 A210 N256	M209-A233 CarbonylContact O-C 3.58Å; M209-A233 WeakPolarHBondContact O-CA 3.49Å; M209-A233 PolarHBondContact O-N 2.9Å; A210-A233 HydrophobicContact CB-CB 4.07Å; A233-N256 PolarHBondContact N-OD1 3.48Å
234	F	97.9	Very high	94.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.			trans	-64.2	139	-178.8	-71.2	-71	0	0	0	111.6	M209 L212 L228 N232 V238 L253 N256 H257 V258	M209-F234 HydrophobicContact CB-CE1 4.05Å; M209-F234 HydrophobicContact CB-CE2 3.74Å; M209-F234 HydrophobicContact CB-CZ 3.41Å; M209-F234 VanDerWaalsContact CB-CZ 3.41Å; M209-F234 HydrophobicContact CE-CE2 3.71Å; M209-F234 HydrophobicContact CE-CZ 3.74Å; M209-F234 HydrophobicContact CG-CZ 4.25Å; M209-F234 HydrophobicContact SD-CE2 4.41Å; M209-F234 HydrophobicContact SD-CZ 3.85Å; L212-F234 HydrophobicContact CD2-CE1 4.04Å; L212-F234 HydrophobicContact CD2-CZ 4Å; L212-F234 HydrophobicContact CG-CE1 3.98Å; L212-F234 HydrophobicContact CG-CZ 4.38Å; L228-F234 HydrophobicContact CB-CD2 3.96Å; L228-F234 HydrophobicContact CB-CE2 3.79Å; L228-F234 HydrophobicContact CD1-CD2 4.44Å; L228-F234 HydrophobicContact CD1-CE2 4.22Å; L228-F234 HydrophobicContact CD1-CZ 4.43Å; L228-F234 HydrophobicContact CD2-CE2 3.89Å; L228-F234 HydrophobicContact CD2-CZ 4.08Å; L228-F234 HydrophobicContact CG-CE2 4.18Å; N232-F234 HydrophobicContact CB-CD2 3.68Å; N232-F234 HydrophobicContact CB-CE2 3.91Å; F234-V238 HydrophobicContact CB-CB 4.44Å; F234-V238 HydrophobicContact CB-CG1 4.29Å; F234-V238 HydrophobicContact CD1-CB 3.8Å; F234-V238 HydrophobicContact CD1-CG1 4.48Å; F234-V238 HydrophobicContact CD1-CG2 3.69Å; F234-V238 HydrophobicContact CE1-CB 4.41Å; F234-V238 HydrophobicContact CE1-CG2 3.84Å; F234-V238 HydrophobicContact CG-CB 4.35Å; F234-V238 HydrophobicContact CG-CG2 4.33Å; F234-L253 HydrophobicContact CB-CD2 4.22Å; F234-N256 HydrophobicContact CB-CB 4.42Å; F234-N256 WeakPolarHBondContact CB-OD1 3.32Å; F234-N256 WeakPolarHBondContact CD2-OD1 3.38Å; F234-N256 PolarHBondContact N-OD1 3.48Å; F234-H257 CarbonylContact O-C 3.4Å; F234-H257 VanDerWaalsContact O-C 3.26Å; F234-H257 VanDerWaalsContact O-CA 3.3Å; F234-H257 WeakPolarHBondContact O-CA 3.43Å; F234-H257 PolarHBondContact O-N 3.26Å; F234-V258 PolarHBondContact O-N 2.92Å
235	T	96.3	Very high	94.6	Very high	55 Å²	55	31.3 Å²	31.3	34%	0.337	17%	0.172	S	C	.	.			trans	-106.5	-178.4	168.2	65.9	0	0	0	0	109.1	A237 V238 H257	T235-A237 PolarHBondContact O-N 2.89Å; T235-V238 WeakPolarHBondContact O-CG1 3.28Å; T235-V238 PolarHBondContact O-N 3.25Å; T235-H257 HydrophobicContact CG2-CB 4.33Å
236	H	93.6	Very high	94.3	Very high	68 Å²	68	32.3 Å²	32.3	32%	0.315	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-56.1	-20.4	176.6	67.7	-97.5	0	0	0	114.4	V238 L239 T260 L261	H236-V238 PolarHBondContact O-N 2.92Å; H236-V238 VanDerWaalsContact O-N 3.12Å; H236-L239 HydrophobicContact CB-CD1 4.39Å; H236-L239 VanDerWaalsContact O-CB 3.28Å; H236-L239 WeakPolarHBondContact O-CB 3.3Å; H236-L239 WeakPolarHBondContact O-CG 3.31Å; H236-L239 PolarHBondContact O-N 3.33Å; H236-T260 VanDerWaalsContact CB-O 3.27Å; H236-T260 WeakPolarHBondContact CB-O 3.31Å; H236-L261 HydrophobicContact CB-CD2 4.49Å
237	A	93.5	Very high	94.2	Very high	50 Å²	50	34.9 Å²	34.9	41%	0.413	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-58.3	-24.8	179.2	0	0	0	0	0	113.4	T235 L239 D240	T235-A237 PolarHBondContact O-N 2.89Å; A237-L239 PolarHBondContact O-N 3.38Å; A237-D240 PolarHBondContact O-N 2.78Å
238	V	94.8	Very high	94.2	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.024	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-62	-28.3	176.3	72.7	0	0	0	0	112.5	L212 L228 F234 T235 H236 D240 E241 L242 L253	L212-V238 HydrophobicContact CD1-CG2 3.82Å; L212-V238 HydrophobicContact CG-CG2 4.09Å; L228-V238 HydrophobicContact CD1-CG2 3.81Å; F234-V238 HydrophobicContact CB-CB 4.44Å; F234-V238 HydrophobicContact CB-CG1 4.29Å; F234-V238 HydrophobicContact CD1-CB 3.8Å; F234-V238 HydrophobicContact CD1-CG1 4.48Å; F234-V238 HydrophobicContact CD1-CG2 3.69Å; F234-V238 HydrophobicContact CE1-CB 4.41Å; F234-V238 HydrophobicContact CE1-CG2 3.84Å; F234-V238 HydrophobicContact CG-CB 4.35Å; F234-V238 HydrophobicContact CG-CG2 4.33Å; T235-V238 WeakPolarHBondContact O-CG1 3.28Å; T235-V238 PolarHBondContact O-N 3.25Å; H236-V238 PolarHBondContact O-N 2.92Å; H236-V238 VanDerWaalsContact O-N 3.12Å; V238-D240 PolarHBondContact O-N 2.77Å; V238-E241 PolarHBondContact O-N 3.35Å; V238-E241 VanDerWaalsContact O-N 3.16Å; V238-L242 WeakPolarHBondContact O-CG 3.49Å; V238-L253 HydrophobicContact CG1-CD1 4.17Å; V238-L253 HydrophobicContact CG1-CD2 3.94Å
239	L	92.9	Very high	94.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-65	-27.4	-175.7	-60.7	174	0	0	0	112.9	H236 A237 E241 L242 K243 L251 L253 L261 C265 M266	H236-L239 HydrophobicContact CB-CD1 4.39Å; H236-L239 VanDerWaalsContact O-CB 3.28Å; H236-L239 WeakPolarHBondContact O-CB 3.3Å; H236-L239 WeakPolarHBondContact O-CG 3.31Å; H236-L239 PolarHBondContact O-N 3.33Å; A237-L239 PolarHBondContact O-N 3.38Å; L239-E241 VanDerWaalsContact C-N 3.26Å; L239-E241 PolarHBondContact O-N 3.28Å; L239-L242 HydrophobicContact CD2-CD1 3.75Å; L239-L242 PolarHBondContact O-N 2.88Å; L239-L242 VanDerWaalsContact O-N 3.13Å; L239-K243 PolarHBondContact O-N 2.89Å; L239-L251 HydrophobicContact CD2-CD2 4.15Å; L239-L253 HydrophobicContact CD2-CD1 3.99Å; L239-L261 HydrophobicContact CD1-CD2 3.56Å; L239-C265 HydrophobicContact CB-CB 4.42Å; L239-C265 HydrophobicContact CD1-CB 4.04Å; L239-M266 HydrophobicContact CD1-CE 3.54Å; L239-M266 HydrophobicContact CD1-SD 4.02Å; L239-M266 HydrophobicContact CD2-CE 4.11Å; L239-M266 HydrophobicContact CD2-SD 4.09Å; L239-M266 HydrophobicContact CG-CE 4.48Å
240	D	90.9	Very high	94.3	Very high	84 Å²	84	40.1 Å²	40.1	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-65.3	-31.5	177.3	-74.9	-35.7	0	0	0	112.5	A237 V238 K243	A237-D240 PolarHBondContact O-N 2.78Å; V238-D240 PolarHBondContact O-N 2.77Å; D240-K243 IonicContact OD1-NZ 2.68Å; D240-K243 PolarHBondContact OD1-NZ 3.08Å
241	E	91.6	Very high	94.4	Very high	24 Å²	24	38.9 Å²	38.9	11%	0.112	21%	0.205	C	C	.	.	H	α-helix	trans	-76.7	-25.5	174.7	-60.9	-54.4	137.4	0	0	112.2	L212 Q214 G215 V238 L239 K243 Q244	L212-E241 HydrophobicContact CB-CG 4.19Å; L212-E241 HydrophobicContact CD1-CB 4.35Å; Q214-E241 WeakPolarHBondContact CA-OE1 3.28Å; G215-E241 PolarHBondContact N-OE2 2.95Å; V238-E241 PolarHBondContact O-N 3.35Å; V238-E241 VanDerWaalsContact O-N 3.16Å; L239-E241 VanDerWaalsContact C-N 3.26Å; L239-E241 PolarHBondContact O-N 3.28Å; E241-K243 VanDerWaalsContact C-N 3.28Å; E241-K243 PolarHBondContact O-N 2.97Å; E241-Q244 WeakPolarHBondContact O-CB 3.44Å; E241-Q244 PolarHBondContact O-N 3.41Å; E241-Q244 PolarHBondContact OE2-NE2 2.66Å
242	L	93.1	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-73.1	-21.6	-179.1	-51.5	-169.6	0	0	0	112.8	L217 L226 V238 L239 Q244 L245 L251 L269	L217-L242 HydrophobicContact CD1-CD2 3.84Å; L226-L242 HydrophobicContact CD2-CD2 3.28Å; V238-L242 WeakPolarHBondContact O-CG 3.49Å; L239-L242 HydrophobicContact CD2-CD1 3.75Å; L239-L242 PolarHBondContact O-N 2.88Å; L239-L242 VanDerWaalsContact O-N 3.13Å; L242-Q244 PolarHBondContact O-N 3.06Å; L242-L245 HydrophobicContact CD2-CD1 4.06Å; L242-L245 WeakPolarHBondContact O-CB 3.49Å; L242-L245 PolarHBondContact O-N 2.86Å; L242-L251 HydrophobicContact CD1-CD1 3.64Å; L242-L251 HydrophobicContact CD1-CD2 3.44Å; L242-L251 VanDerWaalsContact CD1-CD2 3.44Å; L242-L251 HydrophobicContact CD1-CG 4.19Å; L242-L269 HydrophobicContact CB-CD1 4.47Å; L242-L269 HydrophobicContact CB-CD2 4.08Å; L242-L269 WeakPolarHBondContact O-CD2 3.38Å
243	K	87.4	Confident	94.6	Very high	89 Å²	89	36.6 Å²	36.6	39%	0.387	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-18	174	-65.3	174.8	179.1	158.4	0	112.9	L239 D240 E241 L245 C265	L239-K243 PolarHBondContact O-N 2.89Å; D240-K243 IonicContact OD1-NZ 2.68Å; D240-K243 PolarHBondContact OD1-NZ 3.08Å; E241-K243 VanDerWaalsContact C-N 3.28Å; E241-K243 PolarHBondContact O-N 2.97Å; K243-L245 VanDerWaalsContact C-N 3.31Å; K243-C265 VanDerWaalsContact CE-O 3.23Å; K243-C265 WeakPolarHBondContact CE-O 3.28Å
244	Q	84.3	Confident	94.6	Very high	66 Å²	66	36.6 Å²	36.6	31%	0.308	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-3.8	177.6	-58.9	172.8	35.9	0	0	113.3	E241 L242 P246	E241-Q244 WeakPolarHBondContact O-CB 3.44Å; E241-Q244 PolarHBondContact O-N 3.41Å; E241-Q244 PolarHBondContact OE2-NE2 2.66Å; L242-Q244 PolarHBondContact O-N 3.06Å; Q244-P246 WeakPolarHBondContact O-CD 3.48Å
245	L	94.4	Very high	94.6	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.205	C	C	.	.			trans	-104.7	90	-174	-60.1	174.3	0	0	0	110.9	L217 L220 L223 L226 L242 K243 N247 L248	L217-L245 HydrophobicContact CB-CD2 4.12Å; L217-L245 HydrophobicContact CD1-CD1 3.93Å; L220-L245 HydrophobicContact CB-CD2 3.93Å; L223-L245 HydrophobicContact CB-CD2 4.24Å; L223-L245 HydrophobicContact CD2-CD1 3.9Å; L223-L245 HydrophobicContact CD2-CD2 3.91Å; L226-L245 HydrophobicContact CD2-CD1 4.04Å; L242-L245 HydrophobicContact CD2-CD1 4.06Å; L242-L245 WeakPolarHBondContact O-CB 3.49Å; L242-L245 PolarHBondContact O-N 2.86Å; K243-L245 VanDerWaalsContact C-N 3.31Å; L245-N247 PolarHBondContact O-N 2.86Å; L245-L248 HydrophobicContact CB-CB 3.98Å; L245-L248 HydrophobicContact CD1-CD1 4.21Å; L245-L248 HydrophobicContact CD1-CD2 4.12Å; L245-L248 PolarHBondContact O-N 3.19Å
246	P	92.3	Very high	94.7	Very high	62 Å²	62	37.9 Å²	37.9	40%	0.403	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-16.2	-170.3	29.5	-37.9	0	0	0	114.2	Q244 R271	Q244-P246 WeakPolarHBondContact O-CD 3.48Å; P246-R271 WeakPolarHBondContact O-CD 3.38Å; P246-R271 PolarHBondContact O-NH1 2.82Å
247	N	96.4	Very high	94.9	Very high	56 Å²	56	39 Å²	39	30%	0.299	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	11.9	-177	-72.8	-64	0	0	0	113.3	D221 L223 L245 R249 R271	D221-N247 PolarHBondContact O-ND2 2.76Å; L223-N247 CarbonylContact O-C 3.5Å; L245-N247 PolarHBondContact O-N 2.86Å; N247-R249 WeakPolarHBondContact O-CG 3.32Å; N247-R249 PolarHBondContact O-N 3.12Å; N247-R271 PolarHBondContact OD1-NH1 3.34Å
248	L	98	Very high	95.1	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	18%	0.175	C	C	.	.			trans	-63.7	126.5	-178.7	-166.9	68.8	0	0	0	111.1	L223 L226 L245 L251 L269 R271 L272	L223-L248 WeakPolarHBondContact O-CA 3.18Å; L223-L248 PolarHBondContact O-N 3.48Å; L226-L248 HydrophobicContact CB-CD1 3.68Å; L245-L248 HydrophobicContact CB-CB 3.98Å; L245-L248 HydrophobicContact CD1-CD1 4.21Å; L245-L248 HydrophobicContact CD1-CD2 4.12Å; L245-L248 PolarHBondContact O-N 3.19Å; L248-L251 HydrophobicContact CD2-CB 4.41Å; L248-L269 HydrophobicContact CD2-CD2 4.26Å; L248-R271 CarbonylContact O-C 3.46Å; L248-R271 VanDerWaalsContact O-C 3.27Å; L248-L272 HydrophobicContact CD2-CD1 4.06Å; L248-L272 HydrophobicContact CG-CD1 3.94Å; L248-L272 PolarHBondContact O-N 3.23Å
249	R	98.6	Very high	95.2	Very high	104 Å²	104	43.1 Å²	43.1	39%	0.392	20%	0.203	S	C	.	.			trans	-115.9	-37.5	-178.9	-62.3	179.9	74.4	149.9	3	112.1	E224 N247 L272 E273 E274	E224-R249 HydrophobicContact CB-CG 4.45Å; E224-R249 HydrophobicContact CG-CG 4.47Å; E224-R249 WeakPolarHBondContact O-CA 3.47Å; E224-R249 PolarHBondContact O-N 2.91Å; N247-R249 WeakPolarHBondContact O-CG 3.32Å; N247-R249 PolarHBondContact O-N 3.12Å; R249-L272 WeakPolarHBondContact O-CD1 3.49Å; R249-E273 IonicContact CZ-OE1 2.8Å; R249-E273 IonicContact CZ-OE2 3.18Å; R249-E273 IonicContact NE-OE2 2.82Å; R249-E273 PolarHBondContact NE-OE2 3.11Å; R249-E273 IonicContact NH2-OE1 3.37Å; R249-E273 PolarHBondContact NH2-OE1 2.74Å; R249-E273 IonicContact NH2-OE2 3.06Å; R249-E273 PolarHBondContact NH2-OE2 3.35Å; R249-E273 PolarHBondContact O-N 3.34Å; R249-E274 PolarHBondContact O-N 3.07Å
250	Q	98.7	Very high	95.2	Very high	41 Å²	41	46.9 Å²	46.9	19%	0.192	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129	-179.5	-171.7	-175.8	53.2	0	0	110.3	E224 N225 L226 K252 E274	E224-Q250 PolarHBondContact O-N 3.47Å; N225-Q250 HydrophobicContact CB-CB 4.36Å; N225-Q250 WeakPolarHBondContact OD1-CB 3.46Å; L226-Q250 PolarHBondContact N-O 2.93Å; Q250-K252 HydrophobicContact CG-CD 4.45Å; Q250-K252 HydrophobicContact CG-CG 4.39Å; Q250-E274 WeakPolarHBondContact CA-O 3.28Å; Q250-E274 HydrophobicContact CG-CB 4.12Å; Q250-E274 HydrophobicContact CG-CG 4.21Å; Q250-E274 PolarHBondContact NE2-OE2 2.88Å
251	L	98.3	Very high	95.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	117.9	174.5	176.1	61.1	0	0	0	109.8	L226 L239 L242 L248 L253 L272 E274 M275 D276	L226-L251 HydrophobicContact CB-CD1 4.38Å; L226-L251 HydrophobicContact CD2-CD1 4.2Å; L226-L251 HydrophobicContact CG-CD1 4.33Å; L226-L251 WeakPolarHBondContact O-CA 3.46Å; L239-L251 HydrophobicContact CD2-CD2 4.15Å; L242-L251 HydrophobicContact CD1-CD1 3.64Å; L242-L251 HydrophobicContact CD1-CD2 3.44Å; L242-L251 VanDerWaalsContact CD1-CD2 3.44Å; L242-L251 HydrophobicContact CD1-CG 4.19Å; L248-L251 HydrophobicContact CD2-CB 4.41Å; L251-L253 HydrophobicContact CD1-CD1 4.25Å; L251-L253 HydrophobicContact CD1-CG 4.07Å; L251-L253 HydrophobicContact CD2-CD1 3.89Å; L251-L253 HydrophobicContact CG-CD1 4.1Å; L251-L253 HydrophobicContact CG-CG 4.18Å; L251-L272 HydrophobicContact CB-CD1 3.8Å; L251-L272 HydrophobicContact CB-CD2 4.29Å; L251-E274 PolarHBondContact N-O 2.84Å; L251-M275 HydrophobicContact CD2-CE 3.84Å; L251-M275 WeakPolarHBondContact O-CA 3.5Å; L251-D276 PolarHBondContact O-N 3.1Å
252	K	98.5	Very high	95.4	Very high	32 Å²	32	44.5 Å²	44.5	14%	0.139	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.2	173.9	-55.5	-63.4	-170.2	169.6	0	109.9	L226 I227 L228 G229 Q250 E274 D276	L226-K252 PolarHBondContact O-N 2.9Å; I227-K252 HydrophobicContact CB-CB 4.36Å; I227-K252 HydrophobicContact CG1-CB 4.34Å; I227-K252 HydrophobicContact CG1-CG 4.07Å; I227-K252 HydrophobicContact CG2-CB 4.07Å; I227-K252 HydrophobicContact CG2-CG 4.48Å; L228-K252 WeakPolarHBondContact CA-O 3.24Å; L228-K252 WeakPolarHBondContact CB-O 3.03Å; L228-K252 PolarHBondContact N-O 2.84Å; G229-K252 PolarHBondContact N-O 3.27Å; Q250-K252 HydrophobicContact CG-CD 4.45Å; Q250-K252 HydrophobicContact CG-CG 4.39Å; K252-E274 WeakPolarHBondContact CE-OE1 3.39Å; K252-E274 IonicContact NZ-OE1 3.07Å; K252-E274 PolarHBondContact NZ-OE1 2.88Å; K252-D276 HydrophobicContact CD-CB 3.32Å; K252-D276 IonicContact NZ-OD2 3.94Å; K252-D276 PolarHBondContact NZ-OD2 3.1Å
253	L	97.8	Very high	95.2	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	25%	0.249	C	C	.	.			trans	-122.1	20.2	175.5	-81	170.1	0	0	0	110.9	L228 F234 V238 L239 L251 N256 D276 L277 N280	L228-L253 HydrophobicContact CB-CD2 3.91Å; L228-L253 HydrophobicContact CD1-CD2 3.89Å; F234-L253 HydrophobicContact CB-CD2 4.22Å; V238-L253 HydrophobicContact CG1-CD1 4.17Å; V238-L253 HydrophobicContact CG1-CD2 3.94Å; L239-L253 HydrophobicContact CD2-CD1 3.99Å; L251-L253 HydrophobicContact CD1-CD1 4.25Å; L251-L253 HydrophobicContact CD1-CG 4.07Å; L251-L253 HydrophobicContact CD2-CD1 3.89Å; L251-L253 HydrophobicContact CG-CD1 4.1Å; L251-L253 HydrophobicContact CG-CG 4.18Å; L253-N256 WeakPolarHBondContact O-CB 3.3Å; L253-N256 PolarHBondContact O-ND2 2.78Å; L253-D276 CarbonylContact C-O 3Å; L253-D276 WeakPolarHBondContact CA-O 3.5Å; L253-D276 PolarHBondContact N-O 3.2Å; L253-L277 HydrophobicContact CB-CD2 3.93Å; L253-L277 HydrophobicContact CD1-CD2 4.19Å; L253-N280 PolarHBondContact O-ND2 3.32Å
254	N	98.3	Very high	95.1	Very high	24 Å²	24	46.8 Å²	46.8	13%	0.128	24%	0.235	C	C	.	.			trans	-58.4	150.9	178.8	57.7	-52.6	0	0	0	111.9	G229 P230 N256 D276 S278	G229-N254 VanDerWaalsContact C-OD1 3.29Å; G229-N254 VanDerWaalsContact CA-O 3.24Å; G229-N254 WeakPolarHBondContact CA-O 3.45Å; G229-N254 WeakPolarHBondContact CA-OD1 3.35Å; G229-N254 PolarHBondContact O-OD1 3.44Å; P230-N254 WeakPolarHBondContact CA-O 3.39Å; N254-N256 PolarHBondContact O-N 3.21Å; N254-N256 PolarHBondContact O-ND2 2.81Å; N254-D276 WeakPolarHBondContact CB-OD1 3.24Å; N254-D276 PolarHBondContact N-O 3.34Å; N254-S278 CarbonylContact C-O 3.4Å; N254-S278 WeakPolarHBondContact CA-O 3.34Å; N254-S278 WeakPolarHBondContact CB-O 3.34Å; N254-S278 VanDerWaalsContact CB-OG 3.27Å; N254-S278 WeakPolarHBondContact CB-OG 3.42Å
255	K	97.9	Very high	95.3	Very high	80 Å²	80	44 Å²	44	35%	0.348	22%	0.223	S	C	.	.	S	Bend	trans	47.5	53	179.7	-58.3	-172.8	-173.6	170.1	0	113.4	P230 D231 S278 G279	P230-K255 HydrophobicContact CB-CB 3.82Å; P230-K255 HydrophobicContact CB-CD 3.75Å; P230-K255 HydrophobicContact CB-CG 4.14Å; D231-K255 PolarHBondContact N-O 2.87Å; D231-K255 VanDerWaalsContact N-O 3.1Å; K255-S278 PolarHBondContact N-O 3.33Å; K255-G279 WeakPolarHBondContact CA-O 3.43Å
256	N	98.1	Very high	95.1	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.222	C	C	.	.	S	Bend	trans	-121.8	-166.3	174.8	-89.2	-84.9	0	0	0	110.1	L228 N232 A233 F234 L253 N254 N280 F281	L228-N256 PolarHBondContact O-ND2 3.41Å; N232-N256 WeakPolarHBondContact CB-OD1 3.27Å; N232-N256 PolarHBondContact O-OD1 3.04Å; A233-N256 PolarHBondContact N-OD1 3.48Å; F234-N256 HydrophobicContact CB-CB 4.42Å; F234-N256 WeakPolarHBondContact CB-OD1 3.32Å; F234-N256 WeakPolarHBondContact CD2-OD1 3.38Å; F234-N256 PolarHBondContact N-OD1 3.48Å; L253-N256 WeakPolarHBondContact O-CB 3.3Å; L253-N256 PolarHBondContact O-ND2 2.78Å; N254-N256 PolarHBondContact O-N 3.21Å; N254-N256 PolarHBondContact O-ND2 2.81Å; N256-N280 WeakPolarHBondContact CA-OD1 3.35Å; N256-N280 WeakPolarHBondContact CB-OD1 3.38Å; N256-N280 PolarHBondContact N-OD1 3.4Å; N256-N280 PolarHBondContact O-OD1 2.95Å; N256-N280 VanDerWaalsContact O-OD1 3.08Å; N256-F281 VanDerWaalsContact O-CE2 3.3Å; N256-F281 WeakPolarHBondContact O-CE2 3.36Å
257	H	97.4	Very high	94.9	Very high	93 Å²	93	45.8 Å²	45.8	43%	0.431	23%	0.226	S	C	.	.			trans	-106.2	31.5	-176.1	-66.7	-175.8	0	0	0	112.9	F234 T235 K259 N280 F281	F234-H257 CarbonylContact O-C 3.4Å; F234-H257 VanDerWaalsContact O-C 3.26Å; F234-H257 VanDerWaalsContact O-CA 3.3Å; F234-H257 WeakPolarHBondContact O-CA 3.43Å; F234-H257 PolarHBondContact O-N 3.26Å; T235-H257 HydrophobicContact CG2-CB 4.33Å; H257-K259 PolarHBondContact O-N 2.94Å; H257-N280 PolarHBondContact N-OD1 3.48Å; H257-F281 HydrophobicContact CB-CE2 4.47Å; H257-F281 AromaticContact CD2-CE2 3.8Å
258	V	97.5	Very high	94.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.243	C	C	.	.			trans	-75.2	109.2	179.3	-174.8	0	0	0	0	109.8	F234 L261 L277 N280 F281 L282	F234-V258 PolarHBondContact O-N 2.92Å; V258-L261 HydrophobicContact CG1-CD2 3.81Å; V258-L261 HydrophobicContact CG1-CG 4.41Å; V258-L277 HydrophobicContact CG1-CD2 4.49Å; V258-L277 HydrophobicContact CG2-CD2 4.45Å; V258-N280 HydrophobicContact CB-CB 4.09Å; V258-N280 VanDerWaalsContact CB-OD1 3.27Å; V258-N280 WeakPolarHBondContact CB-OD1 3.23Å; V258-N280 WeakPolarHBondContact CG2-OD1 3.5Å; V258-N280 PolarHBondContact N-OD1 2.76Å; V258-N280 WeakPolarHBondContact O-CB 3.24Å; V258-F281 CarbonylContact O-C 3.55Å; V258-F281 WeakPolarHBondContact O-CA 3.48Å; V258-F281 PolarHBondContact O-N 2.99Å; V258-L282 HydrophobicContact CG1-CD2 4.21Å
259	K	96.1	Very high	94.3	Very high	139 Å²	139	46.2 Å²	46.2	60%	0.604	24%	0.243	S	C	*	.			trans	-96.4	-31.1	178.3	-69.8	-179.7	178	-167.5	0	113.9	H257 F281	H257-K259 PolarHBondContact O-N 2.94Å; K259-F281 HydrophobicContact CB-CB 4.47Å; K259-F281 HydrophobicContact CG-CB 3.71Å; K259-F281 HydrophobicContact CG-CG 4.43Å
260	T	93.8	Very high	94.1	Very high	79 Å²	79	42.5 Å²	42.5	49%	0.485	24%	0.237	S	C	.	.			trans	-148.5	159.6	-175.5	64.4	0	0	0	0	109.3	H236	H236-T260 VanDerWaalsContact CB-O 3.27Å; H236-T260 WeakPolarHBondContact CB-O 3.31Å
261	L	94.4	Very high	94	Very high	7 Å²	7	47 Å²	47	4%	0.037	25%	0.253	C	S	.	.			trans	-124.2	97.9	171.8	-66.8	176.8	0	0	0	108.1	H236 L239 V258 M266 L277 L282 M289 F290	H236-L261 HydrophobicContact CB-CD2 4.49Å; L239-L261 HydrophobicContact CD1-CD2 3.56Å; V258-L261 HydrophobicContact CG1-CD2 3.81Å; V258-L261 HydrophobicContact CG1-CG 4.41Å; L261-M266 HydrophobicContact CD1-CE 3.76Å; L261-M266 HydrophobicContact CD2-CE 3.68Å; L261-M266 HydrophobicContact CG-CE 4.26Å; L261-L277 HydrophobicContact CD1-CD1 3.93Å; L261-L282 HydrophobicContact CG-CD2 4.21Å; L261-M289 HydrophobicContact CB-CB 3.95Å; L261-M289 HydrophobicContact CB-CG 4.11Å; L261-M289 HydrophobicContact CB-SD 4.12Å; L261-M289 HydrophobicContact CD1-CB 4.38Å; L261-M289 HydrophobicContact CD1-CE 4.32Å; L261-F290 HydrophobicContact CD1-CE1 4.12Å
262	P	91	Very high	94	Very high	52 Å²	52	47 Å²	47	34%	0.338	25%	0.253	S	S	.	.			trans	-60.5	154.8	-177.8	-23.5	33.4	0	0	0	113.2	G264 C265	P262-G264 PolarHBondContact O-N 3.32Å; P262-C265 VanDerWaalsContact O-CB 3.32Å; P262-C265 WeakPolarHBondContact O-CB 3.49Å; P262-C265 PolarHBondContact O-N 3Å; P262-C265 PolarHBondContact O-SG 3.26Å
263	D	89	Confident	94	Very high	127 Å²	127	47.8 Å²	47.8	68%	0.679	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	124.1	-179.2	-70.3	13.6	0	0	0	112.8	C265 P288	D263-C265 PolarHBondContact O-N 2.77Å; D263-P288 HydrophobicContact CB-CB 4.21Å; D263-P288 WeakPolarHBondContact OD1-CB 3.35Å; D263-P288 VanDerWaalsContact OD1-CG 3.24Å; D263-P288 WeakPolarHBondContact OD1-CG 3.23Å
264	G	85.9	Confident	94	Very high	10 Å²	10	50.2 Å²	50.2	10%	0.103	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	10.5	176.1	0	0	0	0	0	115.4	P262 M266 Q267	P262-G264 PolarHBondContact O-N 3.32Å; G264-M266 PolarHBondContact O-N 2.98Å; G264-Q267 WeakPolarHBondContact O-CB 3.44Å; G264-Q267 PolarHBondContact O-N 3.08Å
265	C	88.9	Confident	94	Very high	8 Å²	8	49.1 Å²	49.1	5%	0.054	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.6	173.3	65.3	0	0	0	0	112.7	L239 K243 P262 D263	L239-C265 HydrophobicContact CB-CB 4.42Å; L239-C265 HydrophobicContact CD1-CB 4.04Å; K243-C265 VanDerWaalsContact CE-O 3.23Å; K243-C265 WeakPolarHBondContact CE-O 3.28Å; P262-C265 VanDerWaalsContact O-CB 3.32Å; P262-C265 WeakPolarHBondContact O-CB 3.49Å; P262-C265 PolarHBondContact O-N 3Å; P262-C265 PolarHBondContact O-SG 3.26Å; D263-C265 PolarHBondContact O-N 2.77Å
266	M	90.4	Very high	94.1	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.2	177.1	-58.1	-58.8	179.4	0	0	114.7	L239 L261 G264 G268 L269 M275 M289 L293	L239-M266 HydrophobicContact CD1-CE 3.54Å; L239-M266 HydrophobicContact CD1-SD 4.02Å; L239-M266 HydrophobicContact CD2-CE 4.11Å; L239-M266 HydrophobicContact CD2-SD 4.09Å; L239-M266 HydrophobicContact CG-CE 4.48Å; L261-M266 HydrophobicContact CD1-CE 3.76Å; L261-M266 HydrophobicContact CD2-CE 3.68Å; L261-M266 HydrophobicContact CG-CE 4.26Å; G264-M266 PolarHBondContact O-N 2.98Å; M266-G268 PolarHBondContact O-N 3.1Å; M266-L269 WeakPolarHBondContact O-CB 3.47Å; M266-L269 PolarHBondContact O-N 3.13Å; M266-L269 VanDerWaalsContact O-N 3.12Å; M266-L269 HydrophobicContact SD-CD1 3.93Å; M266-M275 HydrophobicContact CE-CE 3.26Å; M266-M275 HydrophobicContact CE-SD 3.96Å; M266-M275 HydrophobicContact SD-CE 4.04Å; M266-M275 HydrophobicContact SD-SD 4.47Å; M266-M289 WeakPolarHBondContact CG-O 3.44Å; M266-L293 HydrophobicContact CB-CD1 4.25Å; M266-L293 HydrophobicContact CB-CD2 4Å; M266-L293 HydrophobicContact CB-CG 3.95Å; M266-L293 HydrophobicContact CG-CD1 4.04Å; M266-L293 HydrophobicContact CG-CG 4.3Å; M266-L293 HydrophobicContact SD-CD1 4.44Å
267	Q	88.4	Confident	94.1	Very high	103 Å²	103	45.9 Å²	45.9	48%	0.481	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	129.6	179.8	-74.1	177.8	19.9	0	0	110.6	G264	G264-Q267 WeakPolarHBondContact O-CB 3.44Å; G264-Q267 PolarHBondContact O-N 3.08Å
268	G	87.6	Confident	94.1	Very high	63 Å²	63	42.3 Å²	42.3	65%	0.649	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	102.6	-17.7	-175.6	0	0	0	0	0	113.8	M266 G270	M266-G268 PolarHBondContact O-N 3.1Å; G268-G270 PolarHBondContact O-N 3.09Å; G268-G270 VanDerWaalsContact O-N 3.12Å
269	L	93.6	Very high	94.1	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	24%	0.244	C	C	.	.			trans	-86.2	34.2	178.3	-58.8	178.9	0	0	0	112.9	L242 L248 M266 R271 L272 L293	L242-L269 HydrophobicContact CB-CD1 4.47Å; L242-L269 HydrophobicContact CB-CD2 4.08Å; L242-L269 WeakPolarHBondContact O-CD2 3.38Å; L248-L269 HydrophobicContact CD2-CD2 4.26Å; M266-L269 WeakPolarHBondContact O-CB 3.47Å; M266-L269 PolarHBondContact O-N 3.13Å; M266-L269 VanDerWaalsContact O-N 3.12Å; M266-L269 HydrophobicContact SD-CD1 3.93Å; L269-R271 PolarHBondContact O-N 2.87Å; L269-L272 HydrophobicContact CB-CB 4.4Å; L269-L272 VanDerWaalsContact O-CB 3.27Å; L269-L272 WeakPolarHBondContact O-CB 3.41Å; L269-L272 PolarHBondContact O-N 2.98Å; L269-L293 HydrophobicContact CB-CD2 3.71Å
270	G	93.9	Very high	94.3	Very high	26 Å²	26	36.9 Å²	36.9	27%	0.268	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-7.6	-172.3	0	0	0	0	0	115.6	G268 G292 S295	G268-G270 PolarHBondContact O-N 3.09Å; G268-G270 VanDerWaalsContact O-N 3.12Å; G270-G292 WeakPolarHBondContact CA-O 3.46Å; G270-S295 VanDerWaalsContact O-CB 3.23Å; G270-S295 WeakPolarHBondContact O-CB 3.36Å; G270-S295 PolarHBondContact O-OG 2.97Å
271	R	96.8	Very high	94.4	Very high	137 Å²	137	36.7 Å²	36.7	52%	0.517	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-3.1	174.4	-66.7	-168.2	179.2	155.3	-18.8	113.9	P246 N247 L248 L269 E273	P246-R271 WeakPolarHBondContact O-CD 3.38Å; P246-R271 PolarHBondContact O-NH1 2.82Å; N247-R271 PolarHBondContact OD1-NH1 3.34Å; L248-R271 CarbonylContact O-C 3.46Å; L248-R271 VanDerWaalsContact O-C 3.27Å; L269-R271 PolarHBondContact O-N 2.87Å; R271-E273 PolarHBondContact O-N 3.07Å
272	L	98	Very high	94.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.208	C	C	.	.			trans	-64.4	125.7	179.2	-161.4	73.3	0	0	0	109.2	L248 R249 L251 L269 M275 L293 S295 L296	L248-L272 HydrophobicContact CD2-CD1 4.06Å; L248-L272 HydrophobicContact CG-CD1 3.94Å; L248-L272 PolarHBondContact O-N 3.23Å; R249-L272 WeakPolarHBondContact O-CD1 3.49Å; L251-L272 HydrophobicContact CB-CD1 3.8Å; L251-L272 HydrophobicContact CB-CD2 4.29Å; L269-L272 HydrophobicContact CB-CB 4.4Å; L269-L272 VanDerWaalsContact O-CB 3.27Å; L269-L272 WeakPolarHBondContact O-CB 3.41Å; L269-L272 PolarHBondContact O-N 2.98Å; L272-M275 HydrophobicContact CD2-CB 3.94Å; L272-M275 HydrophobicContact CD2-CG 4.2Å; L272-M275 HydrophobicContact CD2-SD 4.25Å; L272-L293 HydrophobicContact CB-CD2 4.18Å; L272-L293 HydrophobicContact CD2-CD2 3.97Å; L272-S295 CarbonylContact O-C 3.28Å; L272-L296 HydrophobicContact CB-CD1 4.31Å; L272-L296 HydrophobicContact CD2-CD1 4.04Å; L272-L296 HydrophobicContact CG-CD1 4Å; L272-L296 VanDerWaalsContact O-CA 3.23Å; L272-L296 WeakPolarHBondContact O-CA 3.05Å; L272-L296 PolarHBondContact O-N 2.92Å
273	E	98.7	Very high	95	Very high	47 Å²	47	39.4 Å²	39.4	22%	0.22	22%	0.217	C	C	.	.			trans	-107.6	-28.5	-179.7	-64.2	-174.1	133.9	0	0	111.8	R249 R271 K297 N298	R249-E273 IonicContact CZ-OE1 2.8Å; R249-E273 IonicContact CZ-OE2 3.18Å; R249-E273 IonicContact NE-OE2 2.82Å; R249-E273 PolarHBondContact NE-OE2 3.11Å; R249-E273 IonicContact NH2-OE1 3.37Å; R249-E273 PolarHBondContact NH2-OE1 2.74Å; R249-E273 IonicContact NH2-OE2 3.06Å; R249-E273 PolarHBondContact NH2-OE2 3.35Å; R249-E273 PolarHBondContact O-N 3.34Å; R271-E273 PolarHBondContact O-N 3.07Å; E273-K297 WeakPolarHBondContact O-CA 3.35Å; E273-K297 PolarHBondContact O-N 2.95Å; E273-K297 IonicContact OE1-NZ 3.77Å; E273-K297 PolarHBondContact OE1-NZ 3.44Å; E273-N298 PolarHBondContact O-N 3.11Å
274	E	98.8	Very high	95.3	Very high	53 Å²	53	36.1 Å²	36.1	25%	0.248	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	130.1	179.5	179.8	175.2	-176.2	0	0	110.7	R249 Q250 L251 K252 N298	R249-E274 PolarHBondContact O-N 3.07Å; Q250-E274 WeakPolarHBondContact CA-O 3.28Å; Q250-E274 HydrophobicContact CG-CB 4.12Å; Q250-E274 HydrophobicContact CG-CG 4.21Å; Q250-E274 PolarHBondContact NE2-OE2 2.88Å; L251-E274 PolarHBondContact N-O 2.84Å; K252-E274 WeakPolarHBondContact CE-OE1 3.39Å; K252-E274 IonicContact NZ-OE1 3.07Å; K252-E274 PolarHBondContact NZ-OE1 2.88Å; E274-N298 WeakPolarHBondContact CA-O 3.42Å; E274-N298 HydrophobicContact CB-CB 4.46Å; E274-N298 HydrophobicContact CG-CB 4.15Å
275	M	98.1	Very high	95.9	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.5	176.1	-169.6	178.1	-167.4	0	0	110	L251 M266 L272 L277 L293 L296 N298 L299 D300	L251-M275 HydrophobicContact CD2-CE 3.84Å; L251-M275 WeakPolarHBondContact O-CA 3.5Å; M266-M275 HydrophobicContact CE-CE 3.26Å; M266-M275 HydrophobicContact CE-SD 3.96Å; M266-M275 HydrophobicContact SD-CE 4.04Å; M266-M275 HydrophobicContact SD-SD 4.47Å; L272-M275 HydrophobicContact CD2-CB 3.94Å; L272-M275 HydrophobicContact CD2-CG 4.2Å; L272-M275 HydrophobicContact CD2-SD 4.25Å; M275-L277 HydrophobicContact CE-CD1 3.61Å; M275-L277 HydrophobicContact CE-CD2 3.8Å; M275-L277 HydrophobicContact CE-CG 3.72Å; M275-L277 HydrophobicContact CG-CD1 4.42Å; M275-L277 HydrophobicContact CG-CG 4.25Å; M275-L277 HydrophobicContact SD-CD1 3.91Å; M275-L277 HydrophobicContact SD-CG 4.3Å; M275-L293 HydrophobicContact SD-CD1 4.2Å; M275-L296 HydrophobicContact CB-CD1 3.87Å; M275-L296 HydrophobicContact CB-CD2 4.45Å; M275-N298 PolarHBondContact N-O 2.82Å; M275-L299 HydrophobicContact CB-CD1 4.17Å; M275-L299 HydrophobicContact CG-CD1 4.48Å; M275-L299 WeakPolarHBondContact O-CA 3.22Å; M275-D300 PolarHBondContact O-N 3.14Å
276	D	98.6	Very high	96.2	Very high	14 Å²	14	36.3 Å²	36.3	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	114.4	176.3	-170.4	-12.4	0	0	0	110.1	L251 K252 L253 N254 S278 D300	L251-D276 PolarHBondContact O-N 3.1Å; K252-D276 HydrophobicContact CD-CB 3.32Å; K252-D276 IonicContact NZ-OD2 3.94Å; K252-D276 PolarHBondContact NZ-OD2 3.1Å; L253-D276 CarbonylContact C-O 3Å; L253-D276 WeakPolarHBondContact CA-O 3.5Å; L253-D276 PolarHBondContact N-O 3.2Å; N254-D276 WeakPolarHBondContact CB-OD1 3.24Å; N254-D276 PolarHBondContact N-O 3.34Å; D276-S278 VanDerWaalsContact OD1-CB 3.23Å; D276-S278 WeakPolarHBondContact OD1-CB 3.42Å; D276-S278 PolarHBondContact OD1-N 2.9Å; D276-S278 PolarHBondContact OD1-OG 3.38Å; D276-D300 HydrophobicContact CB-CB 4.36Å
277	L	98.3	Very high	96.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.			trans	-118.5	18.1	176	-72.1	167.1	0	0	0	110.4	L253 V258 L261 M275 N280 L282 D300 L301 N304	L253-L277 HydrophobicContact CB-CD2 3.93Å; L253-L277 HydrophobicContact CD1-CD2 4.19Å; V258-L277 HydrophobicContact CG1-CD2 4.49Å; V258-L277 HydrophobicContact CG2-CD2 4.45Å; L261-L277 HydrophobicContact CD1-CD1 3.93Å; M275-L277 HydrophobicContact CE-CD1 3.61Å; M275-L277 HydrophobicContact CE-CD2 3.8Å; M275-L277 HydrophobicContact CE-CG 3.72Å; M275-L277 HydrophobicContact CG-CD1 4.42Å; M275-L277 HydrophobicContact CG-CG 4.25Å; M275-L277 HydrophobicContact SD-CD1 3.91Å; M275-L277 HydrophobicContact SD-CG 4.3Å; L277-N280 VanDerWaalsContact C-ND2 3.32Å; L277-N280 WeakPolarHBondContact O-CB 3.19Å; L277-N280 PolarHBondContact O-ND2 3.33Å; L277-L282 HydrophobicContact CB-CD1 4.4Å; L277-L282 HydrophobicContact CD1-CD1 4.23Å; L277-D300 CarbonylContact C-O 3.12Å; L277-D300 WeakPolarHBondContact CA-O 3.11Å; L277-D300 PolarHBondContact N-O 2.69Å; L277-L301 HydrophobicContact CB-CD2 3.92Å; L277-L301 HydrophobicContact CD1-CD2 3.95Å; L277-N304 PolarHBondContact O-ND2 3.21Å
278	S	98.6	Very high	96.5	Very high	17 Å²	17	38.9 Å²	38.9	12%	0.119	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	148.7	-178.3	62.5	0	0	0	0	112.2	N254 K255 D276 N280 D300 R302	N254-S278 CarbonylContact C-O 3.4Å; N254-S278 WeakPolarHBondContact CA-O 3.34Å; N254-S278 WeakPolarHBondContact CB-O 3.34Å; N254-S278 VanDerWaalsContact CB-OG 3.27Å; N254-S278 WeakPolarHBondContact CB-OG 3.42Å; K255-S278 PolarHBondContact N-O 3.33Å; D276-S278 VanDerWaalsContact OD1-CB 3.23Å; D276-S278 WeakPolarHBondContact OD1-CB 3.42Å; D276-S278 PolarHBondContact OD1-N 2.9Å; D276-S278 PolarHBondContact OD1-OG 3.38Å; S278-N280 VanDerWaalsContact C-N 3.3Å; S278-N280 PolarHBondContact O-N 2.84Å; S278-N280 PolarHBondContact O-ND2 3.4Å; S278-D300 PolarHBondContact N-O 2.77Å; S278-R302 CarbonylContact C-O 3.6Å; S278-R302 WeakPolarHBondContact CA-O 3.3Å; S278-R302 WeakPolarHBondContact CB-O 3.27Å
279	G	98.2	Very high	96.8	Very high	22 Å²	22	36.2 Å²	36.2	23%	0.227	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	23.7	178.3	0	0	0	0	0	114.7	K255 R302 V303	K255-G279 WeakPolarHBondContact CA-O 3.43Å; G279-R302 PolarHBondContact N-O 3.08Å; G279-V303 WeakPolarHBondContact CA-O 3.32Å; G279-V303 PolarHBondContact N-O 2.91Å
280	N	98.4	Very high	96.9	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	18%	0.182	C	C	.	.	S	Bend	trans	-100.5	-160.8	174	-80.1	-83.4	0	0	0	110.4	L253 N256 H257 V258 L277 S278 N304	L253-N280 PolarHBondContact O-ND2 3.32Å; N256-N280 WeakPolarHBondContact CA-OD1 3.35Å; N256-N280 WeakPolarHBondContact CB-OD1 3.38Å; N256-N280 PolarHBondContact N-OD1 3.4Å; N256-N280 PolarHBondContact O-OD1 2.95Å; N256-N280 VanDerWaalsContact O-OD1 3.08Å; H257-N280 PolarHBondContact N-OD1 3.48Å; V258-N280 HydrophobicContact CB-CB 4.09Å; V258-N280 VanDerWaalsContact CB-OD1 3.27Å; V258-N280 WeakPolarHBondContact CB-OD1 3.23Å; V258-N280 WeakPolarHBondContact CG2-OD1 3.5Å; V258-N280 PolarHBondContact N-OD1 2.76Å; V258-N280 WeakPolarHBondContact O-CB 3.24Å; L277-N280 VanDerWaalsContact C-ND2 3.32Å; L277-N280 WeakPolarHBondContact O-CB 3.19Å; L277-N280 PolarHBondContact O-ND2 3.33Å; S278-N280 VanDerWaalsContact C-N 3.3Å; S278-N280 PolarHBondContact O-N 2.84Å; S278-N280 PolarHBondContact O-ND2 3.4Å; N280-N304 VanDerWaalsContact CA-OD1 3.3Å; N280-N304 WeakPolarHBondContact CA-OD1 3.49Å; N280-N304 WeakPolarHBondContact CB-OD1 3.48Å; N280-N304 PolarHBondContact N-OD1 3.19Å; N280-N304 PolarHBondContact O-OD1 3.46Å
281	F	97.9	Very high	96.9	Very high	75 Å²	75	39.8 Å²	39.8	33%	0.329	19%	0.191	S	C	.	.			trans	-123.2	32.1	-172.7	-58.3	-81.4	0	0	0	112.1	N256 H257 V258 K259 N304 L305	N256-F281 VanDerWaalsContact O-CE2 3.3Å; N256-F281 WeakPolarHBondContact O-CE2 3.36Å; H257-F281 HydrophobicContact CB-CE2 4.47Å; H257-F281 AromaticContact CD2-CE2 3.8Å; V258-F281 CarbonylContact O-C 3.55Å; V258-F281 WeakPolarHBondContact O-CA 3.48Å; V258-F281 PolarHBondContact O-N 2.99Å; K259-F281 HydrophobicContact CB-CB 4.47Å; K259-F281 HydrophobicContact CG-CB 3.71Å; K259-F281 HydrophobicContact CG-CG 4.43Å; F281-N304 PolarHBondContact N-OD1 3.46Å; F281-L305 HydrophobicContact CB-CD1 4.45Å; F281-L305 HydrophobicContact CD1-CD1 4.25Å
282	L	98.3	Very high	96.7	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.177	C	C	.	.			trans	-70.1	131.6	177.4	-64.7	169.6	0	0	0	110.3	V258 L261 L277 L301 N304 L305 I306	V258-L282 HydrophobicContact CG1-CD2 4.21Å; L261-L282 HydrophobicContact CG-CD2 4.21Å; L277-L282 HydrophobicContact CB-CD1 4.4Å; L277-L282 HydrophobicContact CD1-CD1 4.23Å; L282-L301 HydrophobicContact CD1-CD2 3.65Å; L282-N304 HydrophobicContact CB-CB 4.23Å; L282-N304 WeakPolarHBondContact CB-OD1 3.36Å; L282-N304 PolarHBondContact N-OD1 3.11Å; L282-L305 CarbonylContact O-C 3.39Å; L282-L305 VanDerWaalsContact O-CA 3.23Å; L282-L305 WeakPolarHBondContact O-CA 3.39Å; L282-L305 WeakPolarHBondContact O-CB 3.42Å; L282-L305 PolarHBondContact O-N 3.33Å; L282-I306 HydrophobicContact CB-CG1 4.13Å; L282-I306 WeakPolarHBondContact O-CG1 3.27Å; L282-I306 PolarHBondContact O-N 2.84Å
283	E	97.8	Very high	96.6	Very high	116 Å²	116	34.4 Å²	34.4	54%	0.542	18%	0.177	S	C	.	.			trans	-108.5	-35.9	-178.7	-69.4	176.2	-156	0	0	113.6	L305 I306 S307 T308	E283-L305 WeakPolarHBondContact CA-O 3.34Å; E283-L305 HydrophobicContact CG-CB 3.85Å; E283-L305 HydrophobicContact CG-CD1 4.4Å; E283-I306 WeakPolarHBondContact O-CA 3.48Å; E283-S307 PolarHBondContact O-N 2.84Å; E283-T308 PolarHBondContact O-N 2.91Å
284	T	97.2	Very high	96.4	Very high	57 Å²	57	35.1 Å²	35.1	35%	0.35	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137.4	-178	-59.1	0	0	0	0	110	T308 E310	T284-T308 WeakPolarHBondContact CA-O 3.29Å; T284-T308 HydrophobicContact CG2-CG2 4.1Å; T284-E310 HydrophobicContact CG2-CG 4.29Å
285	L	97.6	Very high	96.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.1	171.4	-53.6	-176.5	0	0	0	110.1	M289 F290 L301 I306 T308 I309 E310 A313 F314 L325	L285-M289 HydrophobicContact CB-CE 4.13Å; L285-M289 HydrophobicContact CD2-CE 3.54Å; L285-M289 HydrophobicContact CG-CE 4.45Å; L285-F290 HydrophobicContact CD2-CE2 4.44Å; L285-F290 HydrophobicContact CD2-CZ 4.31Å; L285-L301 HydrophobicContact CD1-CD1 3.88Å; L285-L301 HydrophobicContact CD2-CD1 4.22Å; L285-I306 HydrophobicContact CD1-CD1 4.09Å; L285-I306 HydrophobicContact CD1-CG2 4.14Å; L285-I306 HydrophobicContact CD2-CD1 3.82Å; L285-I306 HydrophobicContact CD2-CG1 4.11Å; L285-I306 HydrophobicContact CG-CD1 4.14Å; L285-I306 HydrophobicContact CG-CG1 4.31Å; L285-I306 HydrophobicContact CG-CG2 3.9Å; L285-T308 PolarHBondContact N-O 3.1Å; L285-I309 HydrophobicContact CB-CG1 4.49Å; L285-I309 HydrophobicContact CB-CG2 4.34Å; L285-I309 HydrophobicContact CD1-CD1 4.2Å; L285-I309 HydrophobicContact CD1-CG1 4.07Å; L285-I309 HydrophobicContact CG-CG1 4.43Å; L285-E310 PolarHBondContact O-N 2.61Å; L285-A313 HydrophobicContact CB-CB 4.29Å; L285-F314 HydrophobicContact CD1-CE1 3.84Å; L285-F314 HydrophobicContact CD1-CE2 4.44Å; L285-F314 HydrophobicContact CD1-CZ 3.4Å; L285-F314 VanDerWaalsContact CD1-CZ 3.4Å; L285-L325 HydrophobicContact CD1-CD2 3.83Å
286	S	95.5	Very high	96.4	Very high	22 Å²	22	34.6 Å²	34.6	15%	0.154	19%	0.187	C	C	.	.			trans	-123.5	155.4	179	67.8	0	0	0	0	112.3	P288 M289 E310	S286-P288 VanDerWaalsContact C-CD 3.46Å; S286-M289 WeakPolarHBondContact O-CB 3.47Å; S286-M289 WeakPolarHBondContact O-CG 3.48Å; S286-M289 PolarHBondContact O-N 3.25Å; S286-M289 VanDerWaalsContact OG-CG 3.3Å; S286-M289 WeakPolarHBondContact OG-CG 3.08Å; S286-E310 WeakPolarHBondContact CB-OE2 3.43Å
287	R	92.9	Very high	96.4	Very high	118 Å²	118	37.6 Å²	37.6	45%	0.445	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-51.2	-45.5	-178.6	-177.2	174.7	179.8	-172.5	0.5	115	M289 D312 E316	R287-M289 PolarHBondContact O-N 3.35Å; R287-D312 WeakPolarHBondContact CB-O 3.31Å; R287-D312 WeakPolarHBondContact CG-O 3.29Å; R287-E316 IonicContact NH2-OE1 3.44Å; R287-E316 PolarHBondContact NH2-OE1 3.31Å
288	P	92.7	Very high	96.4	Very high	39 Å²	39	39.2 Å²	39.2	25%	0.253	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-69.5	-17.6	-175.9	26.7	-35.4	0	0	0	114.4	D263 S286 F290 K291	D263-P288 HydrophobicContact CB-CB 4.21Å; D263-P288 WeakPolarHBondContact OD1-CB 3.35Å; D263-P288 VanDerWaalsContact OD1-CG 3.24Å; D263-P288 WeakPolarHBondContact OD1-CG 3.23Å; S286-P288 VanDerWaalsContact C-CD 3.46Å; P288-F290 PolarHBondContact O-N 3.5Å; P288-K291 WeakPolarHBondContact O-CB 3.34Å; P288-K291 PolarHBondContact O-N 3.08Å
289	M	93.6	Very high	96.5	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.039	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-62.9	-40.9	-175.9	-58.9	-163.3	-32.7	0	0	113.1	L261 M266 L285 S286 R287	L261-M289 HydrophobicContact CB-CB 3.95Å; L261-M289 HydrophobicContact CB-CG 4.11Å; L261-M289 HydrophobicContact CB-SD 4.12Å; L261-M289 HydrophobicContact CD1-CB 4.38Å; L261-M289 HydrophobicContact CD1-CE 4.32Å; M266-M289 WeakPolarHBondContact CG-O 3.44Å; L285-M289 HydrophobicContact CB-CE 4.13Å; L285-M289 HydrophobicContact CD2-CE 3.54Å; L285-M289 HydrophobicContact CG-CE 4.45Å; S286-M289 WeakPolarHBondContact O-CB 3.47Å; S286-M289 WeakPolarHBondContact O-CG 3.48Å; S286-M289 PolarHBondContact O-N 3.25Å; S286-M289 VanDerWaalsContact OG-CG 3.3Å; S286-M289 WeakPolarHBondContact OG-CG 3.08Å; R287-M289 PolarHBondContact O-N 3.35Å
290	F	94.6	Very high	96.5	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-100.4	12.9	-174.9	-56.9	-64.7	0	0	0	113	L261 L285 P288 G292 L293 L299 L301 F314 L317	L261-F290 HydrophobicContact CD1-CE1 4.12Å; L285-F290 HydrophobicContact CD2-CE2 4.44Å; L285-F290 HydrophobicContact CD2-CZ 4.31Å; P288-F290 PolarHBondContact O-N 3.5Å; F290-G292 PolarHBondContact O-N 2.87Å; F290-L293 HydrophobicContact CB-CD1 4.37Å; F290-L293 HydrophobicContact CD1-CD1 4.17Å; F290-L293 PolarHBondContact O-N 3.06Å; F290-L299 HydrophobicContact CD1-CD2 4.29Å; F290-L299 HydrophobicContact CE1-CD1 4.27Å; F290-L299 HydrophobicContact CE1-CD2 3.9Å; F290-L299 HydrophobicContact CE2-CD2 4.47Å; F290-L299 HydrophobicContact CZ-CD2 4Å; F290-L301 HydrophobicContact CZ-CD1 4.16Å; F290-L301 HydrophobicContact CZ-CD2 4.45Å; F290-F314 HydrophobicContact CD2-CD1 4.07Å; F290-F314 HydrophobicContact CD2-CE1 4.42Å; F290-F314 AromaticContact CE2-CD1 3.97Å; F290-F314 HydrophobicContact CE2-CD1 3.97Å; F290-F314 AromaticContact CE2-CE1 3.85Å; F290-F314 HydrophobicContact CE2-CE1 3.85Å; F290-F314 HydrophobicContact CZ-CE1 4.49Å; F290-L317 HydrophobicContact CB-CD1 4.27Å; F290-L317 HydrophobicContact CB-CD2 3.96Å; F290-L317 HydrophobicContact CB-CG 4.18Å; F290-L317 HydrophobicContact CG-CD1 4.3Å
291	K	93.7	Very high	96.5	Very high	104 Å²	104	37.6 Å²	37.6	45%	0.452	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	123.5	-176.3	-174.2	175.1	-178.5	176.3	0	111.5	P288	P288-K291 WeakPolarHBondContact O-CB 3.34Å; P288-K291 PolarHBondContact O-N 3.08Å
292	G	92.6	Very high	96.5	Very high	23 Å²	23	36.9 Å²	36.9	24%	0.237	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.8	-7.1	178	0	0	0	0	0	115.1	G270 F290 T294	G270-G292 WeakPolarHBondContact CA-O 3.46Å; F290-G292 PolarHBondContact O-N 2.87Å; G292-T294 PolarHBondContact O-N 3.01Å
293	L	96	Very high	96.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.			trans	-84.1	50.2	179.7	-61	-178.2	0	0	0	112.5	M266 L269 L272 M275 F290 S295 L296 L317	M266-L293 HydrophobicContact CB-CD1 4.25Å; M266-L293 HydrophobicContact CB-CD2 4Å; M266-L293 HydrophobicContact CB-CG 3.95Å; M266-L293 HydrophobicContact CG-CD1 4.04Å; M266-L293 HydrophobicContact CG-CG 4.3Å; M266-L293 HydrophobicContact SD-CD1 4.44Å; L269-L293 HydrophobicContact CB-CD2 3.71Å; L272-L293 HydrophobicContact CB-CD2 4.18Å; L272-L293 HydrophobicContact CD2-CD2 3.97Å; M275-L293 HydrophobicContact SD-CD1 4.2Å; F290-L293 HydrophobicContact CB-CD1 4.37Å; F290-L293 HydrophobicContact CD1-CD1 4.17Å; F290-L293 PolarHBondContact O-N 3.06Å; L293-S295 VanDerWaalsContact C-N 3.28Å; L293-S295 PolarHBondContact O-N 3.41Å; L293-L296 HydrophobicContact CB-CB 4.22Å; L293-L296 HydrophobicContact CB-CD2 4.5Å; L293-L296 HydrophobicContact CD1-CD2 4.24Å; L293-L296 WeakPolarHBondContact O-CB 3.44Å; L293-L296 PolarHBondContact O-N 3.27Å; L293-L317 HydrophobicContact CB-CD2 3.59Å; L293-L317 HydrophobicContact CD1-CD2 4.5Å; L293-L317 WeakPolarHBondContact O-CD2 3.06Å
294	T	95.6	Very high	96.6	Very high	62 Å²	62	32.8 Å²	32.8	38%	0.38	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.4	-171.3	54.8	0	0	0	0	114.3	G292 N319	G292-T294 PolarHBondContact O-N 3.01Å; T294-N319 PolarHBondContact O-ND2 3.33Å
295	S	98.1	Very high	96.6	Very high	43 Å²	43	32.2 Å²	32.2	30%	0.301	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-1.7	177.6	-58.7	0	0	0	0	113.8	G270 L272 L293 K297	G270-S295 VanDerWaalsContact O-CB 3.23Å; G270-S295 WeakPolarHBondContact O-CB 3.36Å; G270-S295 PolarHBondContact O-OG 2.97Å; L272-S295 CarbonylContact O-C 3.28Å; L293-S295 VanDerWaalsContact C-N 3.28Å; L293-S295 PolarHBondContact O-N 3.41Å; S295-K297 PolarHBondContact O-N 2.76Å
296	L	98.5	Very high	96.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.166	C	C	.	.			trans	-65.2	131.3	-173.5	-158.1	73.8	0	0	0	110.4	L272 M275 L293 L299 L317 N319 L320	L272-L296 HydrophobicContact CB-CD1 4.31Å; L272-L296 HydrophobicContact CD2-CD1 4.04Å; L272-L296 HydrophobicContact CG-CD1 4Å; L272-L296 VanDerWaalsContact O-CA 3.23Å; L272-L296 WeakPolarHBondContact O-CA 3.05Å; L272-L296 PolarHBondContact O-N 2.92Å; M275-L296 HydrophobicContact CB-CD1 3.87Å; M275-L296 HydrophobicContact CB-CD2 4.45Å; L293-L296 HydrophobicContact CB-CB 4.22Å; L293-L296 HydrophobicContact CB-CD2 4.5Å; L293-L296 HydrophobicContact CD1-CD2 4.24Å; L293-L296 WeakPolarHBondContact O-CB 3.44Å; L293-L296 PolarHBondContact O-N 3.27Å; L296-L299 HydrophobicContact CD2-CB 3.93Å; L296-L299 HydrophobicContact CD2-CD1 4.31Å; L296-L299 HydrophobicContact CD2-CD2 4.39Å; L296-L299 HydrophobicContact CD2-CG 4.44Å; L296-L317 HydrophobicContact CB-CD2 4.12Å; L296-L317 HydrophobicContact CD2-CD1 4.27Å; L296-L317 HydrophobicContact CD2-CD2 3.88Å; L296-N319 CarbonylContact O-C 3.17Å; L296-L320 HydrophobicContact CB-CD1 4.45Å; L296-L320 HydrophobicContact CD2-CD1 4.08Å; L296-L320 HydrophobicContact CG-CD1 4.17Å; L296-L320 WeakPolarHBondContact O-CA 3.37Å; L296-L320 PolarHBondContact O-N 3.47Å
297	K	98.8	Very high	96.8	Very high	78 Å²	78	34 Å²	34	34%	0.339	18%	0.179	S	C	.	.			trans	-113	-35.3	179.7	-63.4	174.5	-173	160.3	0	111.7	E273 S295 Q321 E322	E273-K297 WeakPolarHBondContact O-CA 3.35Å; E273-K297 PolarHBondContact O-N 2.95Å; E273-K297 IonicContact OE1-NZ 3.77Å; E273-K297 PolarHBondContact OE1-NZ 3.44Å; S295-K297 PolarHBondContact O-N 2.76Å; K297-Q321 HydrophobicContact CB-CG 4.25Å; K297-Q321 HydrophobicContact CG-CG 4.48Å; K297-Q321 WeakPolarHBondContact O-CA 3.48Å; K297-Q321 WeakPolarHBondContact O-CB 3.47Å; K297-Q321 PolarHBondContact O-N 3.08Å; K297-E322 PolarHBondContact O-N 2.67Å
298	N	98.9	Very high	97.1	Very high	34 Å²	34	31.7 Å²	31.7	18%	0.182	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.9	179.1	-174.6	4.1	0	0	0	110.3	E273 E274 M275	E273-N298 PolarHBondContact O-N 3.11Å; E274-N298 WeakPolarHBondContact CA-O 3.42Å; E274-N298 HydrophobicContact CB-CB 4.46Å; E274-N298 HydrophobicContact CG-CB 4.15Å; M275-N298 PolarHBondContact N-O 2.82Å
299	L	98.8	Very high	97.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	113.8	174.3	178.4	55.4	0	0	0	109.6	M275 F290 L296 L301 F314 L317 L320 E322 L323 H324	M275-L299 HydrophobicContact CB-CD1 4.17Å; M275-L299 HydrophobicContact CG-CD1 4.48Å; M275-L299 WeakPolarHBondContact O-CA 3.22Å; F290-L299 HydrophobicContact CD1-CD2 4.29Å; F290-L299 HydrophobicContact CE1-CD1 4.27Å; F290-L299 HydrophobicContact CE1-CD2 3.9Å; F290-L299 HydrophobicContact CE2-CD2 4.47Å; F290-L299 HydrophobicContact CZ-CD2 4Å; L296-L299 HydrophobicContact CD2-CB 3.93Å; L296-L299 HydrophobicContact CD2-CD1 4.31Å; L296-L299 HydrophobicContact CD2-CD2 4.39Å; L296-L299 HydrophobicContact CD2-CG 4.44Å; L299-L301 HydrophobicContact CD1-CD1 4.45Å; L299-L301 HydrophobicContact CD1-CD2 4.33Å; L299-L301 HydrophobicContact CD1-CG 4.1Å; L299-L301 HydrophobicContact CD2-CD1 3.89Å; L299-L301 HydrophobicContact CD2-CG 4.41Å; L299-L301 HydrophobicContact CG-CD1 3.96Å; L299-L301 HydrophobicContact CG-CG 3.97Å; L299-F314 HydrophobicContact CD2-CD1 4.33Å; L299-F314 HydrophobicContact CD2-CE1 4.23Å; L299-L317 HydrophobicContact CD2-CD1 3.7Å; L299-L320 HydrophobicContact CB-CD1 3.8Å; L299-E322 PolarHBondContact N-O 2.92Å; L299-L323 HydrophobicContact CB-CD1 4.11Å; L299-L323 HydrophobicContact CD2-CD1 3.98Å; L299-L323 HydrophobicContact CG-CD1 4.04Å; L299-H324 PolarHBondContact O-N 3.28Å
300	D	98.8	Very high	97.5	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.043	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	116.2	175.7	-165.5	-15.4	0	0	0	111.4	M275 D276 L277 S278 R302 H324	M275-D300 PolarHBondContact O-N 3.14Å; D276-D300 HydrophobicContact CB-CB 4.36Å; L277-D300 CarbonylContact C-O 3.12Å; L277-D300 WeakPolarHBondContact CA-O 3.11Å; L277-D300 PolarHBondContact N-O 2.69Å; S278-D300 PolarHBondContact N-O 2.77Å; D300-R302 WeakPolarHBondContact OD1-CB 3.29Å; D300-R302 VanDerWaalsContact OD1-CG 3.22Å; D300-R302 WeakPolarHBondContact OD1-CG 3.19Å; D300-R302 PolarHBondContact OD1-N 2.78Å; D300-R302 IonicContact OD1-NE 3.88Å; D300-R302 PolarHBondContact OD1-NE 2.73Å; D300-R302 IonicContact OD2-CZ 3.35Å; D300-R302 IonicContact OD2-NE 2.99Å; D300-R302 PolarHBondContact OD2-NE 3.3Å; D300-R302 IonicContact OD2-NH2 3.34Å; D300-R302 PolarHBondContact OD2-NH2 3.05Å; D300-H324 HydrophobicContact CB-CB 4.46Å
301	L	98.7	Very high	97.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.			trans	-123.4	18	179	-66.3	166.4	0	0	0	111.2	L277 L282 L285 F290 L299 N304 I306 F314 L323 H324 L325 N328	L277-L301 HydrophobicContact CB-CD2 3.92Å; L277-L301 HydrophobicContact CD1-CD2 3.95Å; L282-L301 HydrophobicContact CD1-CD2 3.65Å; L285-L301 HydrophobicContact CD1-CD1 3.88Å; L285-L301 HydrophobicContact CD2-CD1 4.22Å; F290-L301 HydrophobicContact CZ-CD1 4.16Å; F290-L301 HydrophobicContact CZ-CD2 4.45Å; L299-L301 HydrophobicContact CD1-CD1 4.45Å; L299-L301 HydrophobicContact CD1-CD2 4.33Å; L299-L301 HydrophobicContact CD1-CG 4.1Å; L299-L301 HydrophobicContact CD2-CD1 3.89Å; L299-L301 HydrophobicContact CD2-CG 4.41Å; L299-L301 HydrophobicContact CG-CD1 3.96Å; L299-L301 HydrophobicContact CG-CG 3.97Å; L301-N304 PolarHBondContact O-ND2 2.88Å; L301-I306 HydrophobicContact CB-CD1 3.95Å; L301-F314 HydrophobicContact CD1-CE1 4.23Å; L301-L323 HydrophobicContact CD1-CD1 4.23Å; L301-H324 CarbonylContact C-O 3.5Å; L301-H324 WeakPolarHBondContact CA-O 3.4Å; L301-H324 WeakPolarHBondContact CB-O 3.44Å; L301-H324 PolarHBondContact N-O 2.63Å; L301-L325 HydrophobicContact CB-CD2 4Å; L301-L325 HydrophobicContact CD1-CD2 3.88Å; L301-N328 PolarHBondContact O-ND2 3.28Å
302	R	98.6	Very high	97.9	Very high	60 Å²	60	35.9 Å²	35.9	23%	0.226	20%	0.2	C	C	.	.			trans	-59.4	151.5	-178.9	-69.1	177.1	-67.6	175.8	5.5	111.6	S278 G279 D300 N304 H324 S326 S569 D570	S278-R302 CarbonylContact C-O 3.6Å; S278-R302 WeakPolarHBondContact CA-O 3.3Å; S278-R302 WeakPolarHBondContact CB-O 3.27Å; G279-R302 PolarHBondContact N-O 3.08Å; D300-R302 WeakPolarHBondContact OD1-CB 3.29Å; D300-R302 VanDerWaalsContact OD1-CG 3.22Å; D300-R302 WeakPolarHBondContact OD1-CG 3.19Å; D300-R302 PolarHBondContact OD1-N 2.78Å; D300-R302 IonicContact OD1-NE 3.88Å; D300-R302 PolarHBondContact OD1-NE 2.73Å; D300-R302 IonicContact OD2-CZ 3.35Å; D300-R302 IonicContact OD2-NE 2.99Å; D300-R302 PolarHBondContact OD2-NE 3.3Å; D300-R302 IonicContact OD2-NH2 3.34Å; D300-R302 PolarHBondContact OD2-NH2 3.05Å; R302-N304 VanDerWaalsContact C-N 3.32Å; R302-N304 PolarHBondContact O-N 3.35Å; R302-N304 PolarHBondContact O-ND2 3.4Å; R302-H324 HydrophobicContact CG-CB 3.7Å; R302-H324 PolarHBondContact N-O 3.28Å; R302-S326 CarbonylContact C-O 3.14Å; R302-S326 WeakPolarHBondContact CA-O 3.38Å; R302-S326 WeakPolarHBondContact CB-O 3.47Å; R302-S569 PolarHBondContact NH1-O 3.09Å; R302-D570 IonicContact NH1-OD1 3.86Å; R302-D570 PolarHBondContact NH1-OD1 2.91Å
303	V	98.3	Very high	98.1	Very high	28 Å²	28	34.9 Å²	34.9	17%	0.17	19%	0.189	C	C	.	.	S	Bend	trans	57.9	44.3	171.2	-155.3	0	0	0	0	112.3	G279 S326 G327 P572	G279-V303 WeakPolarHBondContact CA-O 3.32Å; G279-V303 PolarHBondContact N-O 2.91Å; V303-S326 PolarHBondContact N-O 3.24Å; V303-G327 VanDerWaalsContact CA-O 3.29Å; V303-G327 WeakPolarHBondContact CA-O 3.3Å; V303-G327 PolarHBondContact N-O 3.39Å; V303-P572 HydrophobicContact CG2-CB 3.72Å; V303-P572 HydrophobicContact CG2-CG 4.49Å
304	N	98.7	Very high	98.2	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	19%	0.189	C	C	.	.	S	Bend	trans	-105.8	-164.6	169.1	-84.9	-88.7	0	0	0	109.2	L277 N280 F281 L282 L301 R302 I306 N328	L277-N304 PolarHBondContact O-ND2 3.21Å; N280-N304 VanDerWaalsContact CA-OD1 3.3Å; N280-N304 WeakPolarHBondContact CA-OD1 3.49Å; N280-N304 WeakPolarHBondContact CB-OD1 3.48Å; N280-N304 PolarHBondContact N-OD1 3.19Å; N280-N304 PolarHBondContact O-OD1 3.46Å; F281-N304 PolarHBondContact N-OD1 3.46Å; L282-N304 HydrophobicContact CB-CB 4.23Å; L282-N304 WeakPolarHBondContact CB-OD1 3.36Å; L282-N304 PolarHBondContact N-OD1 3.11Å; L301-N304 PolarHBondContact O-ND2 2.88Å; R302-N304 VanDerWaalsContact C-N 3.32Å; R302-N304 PolarHBondContact O-N 3.35Å; R302-N304 PolarHBondContact O-ND2 3.4Å; N304-I306 HydrophobicContact CB-CD1 3.86Å; N304-I306 HydrophobicContact CB-CG1 3.87Å; N304-N328 VanDerWaalsContact CA-OD1 3.26Å; N304-N328 WeakPolarHBondContact CA-OD1 3.45Å; N304-N328 WeakPolarHBondContact CB-OD1 3.3Å; N304-N328 PolarHBondContact N-OD1 2.96Å; N304-N328 VanDerWaalsContact N-OD1 3.17Å; N304-N328 PolarHBondContact O-OD1 2.97Å
305	L	98.5	Very high	98.2	Very high	45 Å²	45	32.3 Å²	32.3	24%	0.236	17%	0.174	C	C	.	.			trans	-106.7	24.7	175.6	-57	-178.5	0	0	0	111.4	F281 L282 E283 S307 Y329 L579	F281-L305 HydrophobicContact CB-CD1 4.45Å; F281-L305 HydrophobicContact CD1-CD1 4.25Å; L282-L305 CarbonylContact O-C 3.39Å; L282-L305 VanDerWaalsContact O-CA 3.23Å; L282-L305 WeakPolarHBondContact O-CA 3.39Å; L282-L305 WeakPolarHBondContact O-CB 3.42Å; L282-L305 PolarHBondContact O-N 3.33Å; E283-L305 WeakPolarHBondContact CA-O 3.34Å; E283-L305 HydrophobicContact CG-CB 3.85Å; E283-L305 HydrophobicContact CG-CD1 4.4Å; L305-S307 PolarHBondContact O-N 3.4Å; L305-S307 VanDerWaalsContact O-N 3.15Å; L305-Y329 HydrophobicContact CD2-CD2 4.49Å; L305-Y329 HydrophobicContact CD2-CE2 3.67Å; L305-L579 HydrophobicContact CD2-CD1 4.02Å
306	I	98.7	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.			trans	-68.8	116.9	-167.5	-61.2	159.4	0	0	0	109.4	L282 E283 L285 L301 N304 I309 L325 N328 Y329 I330	L282-I306 HydrophobicContact CB-CG1 4.13Å; L282-I306 WeakPolarHBondContact O-CG1 3.27Å; L282-I306 PolarHBondContact O-N 2.84Å; E283-I306 WeakPolarHBondContact O-CA 3.48Å; L285-I306 HydrophobicContact CD1-CD1 4.09Å; L285-I306 HydrophobicContact CD1-CG2 4.14Å; L285-I306 HydrophobicContact CD2-CD1 3.82Å; L285-I306 HydrophobicContact CD2-CG1 4.11Å; L285-I306 HydrophobicContact CG-CD1 4.14Å; L285-I306 HydrophobicContact CG-CG1 4.31Å; L285-I306 HydrophobicContact CG-CG2 3.9Å; L301-I306 HydrophobicContact CB-CD1 3.95Å; N304-I306 HydrophobicContact CB-CD1 3.86Å; N304-I306 HydrophobicContact CB-CG1 3.87Å; I306-I309 HydrophobicContact CG2-CG1 4.14Å; I306-L325 HydrophobicContact CD1-CD2 4.09Å; I306-N328 HydrophobicContact CB-CB 4.06Å; I306-N328 WeakPolarHBondContact CB-OD1 3.1Å; I306-N328 WeakPolarHBondContact CG1-OD1 3.46Å; I306-N328 PolarHBondContact N-OD1 3.23Å; I306-N328 VanDerWaalsContact N-OD1 3.1Å; I306-Y329 CarbonylContact O-C 3.11Å; I306-Y329 VanDerWaalsContact O-C 3.27Å; I306-Y329 WeakPolarHBondContact O-CA 3.46Å; I306-Y329 PolarHBondContact O-N 2.82Å; I306-I330 HydrophobicContact CG2-CD1 4.43Å; I306-I330 HydrophobicContact CG2-CG1 4.18Å; I306-I330 PolarHBondContact O-N 3.38Å
307	S	98.1	Very high	98	Very high	61 Å²	61	33 Å²	33	43%	0.427	17%	0.173	S	C	.	.			trans	-117.2	-22.1	175	59.3	0	0	0	0	112.5	E283 L305	E283-S307 PolarHBondContact O-N 2.84Å; L305-S307 PolarHBondContact O-N 3.4Å; L305-S307 VanDerWaalsContact O-N 3.15Å
308	T	97.8	Very high	97.9	Very high	69 Å²	69	31.9 Å²	31.9	42%	0.423	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.1	-177.8	-56.9	0	0	0	0	110.8	E283 T284 L285	E283-T308 PolarHBondContact O-N 2.91Å; T284-T308 WeakPolarHBondContact CA-O 3.29Å; T284-T308 HydrophobicContact CG2-CG2 4.1Å; L285-T308 PolarHBondContact N-O 3.1Å
309	I	98.3	Very high	97.9	Very high	8 Å²	8	34 Å²	34	4%	0.041	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.4	168.2	-53.4	-176.9	0	0	0	106.7	L285 I306 A313 F314 L325 I330 I333 Q337	L285-I309 HydrophobicContact CB-CG1 4.49Å; L285-I309 HydrophobicContact CB-CG2 4.34Å; L285-I309 HydrophobicContact CD1-CD1 4.2Å; L285-I309 HydrophobicContact CD1-CG1 4.07Å; L285-I309 HydrophobicContact CG-CG1 4.43Å; I306-I309 HydrophobicContact CG2-CG1 4.14Å; I309-A313 HydrophobicContact CG2-CB 3.78Å; I309-F314 HydrophobicContact CG2-CE2 3.82Å; I309-F314 HydrophobicContact CG2-CZ 4.36Å; I309-L325 HydrophobicContact CD1-CD1 3.97Å; I309-I330 HydrophobicContact CD1-CD1 3.85Å; I309-I330 HydrophobicContact CD1-CG1 4.46Å; I309-I333 HydrophobicContact CD1-CD1 3.93Å; I309-Q337 HydrophobicContact CB-CG 4.29Å; I309-Q337 HydrophobicContact CG2-CB 3.85Å; I309-Q337 HydrophobicContact CG2-CG 4.07Å; I309-Q337 WeakPolarHBondContact O-CG 3.49Å; I309-Q337 PolarHBondContact O-NE2 3.32Å
310	E	97.6	Very high	97.9	Very high	92 Å²	92	34 Å²	34	43%	0.43	18%	0.184	S	C	.	.			trans	-76.1	159.3	177	-64	-179.2	174.9	0	0	111.3	T284 L285 S286 A313	T284-E310 HydrophobicContact CG2-CG 4.29Å; L285-E310 PolarHBondContact O-N 2.61Å; S286-E310 WeakPolarHBondContact CB-OE2 3.43Å; E310-A313 WeakPolarHBondContact O-CB 3.41Å; E310-A313 PolarHBondContact O-N 2.96Å
311	D	98	Very high	97.9	Very high	91 Å²	91	36.5 Å²	36.5	49%	0.487	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	143.1	171.3	-66.6	-14.1	0	0	0	110.3	A313 A336	D311-A313 PolarHBondContact O-N 2.92Å; D311-A313 VanDerWaalsContact O-N 3.09Å; D311-A336 HydrophobicContact CB-CB 4.11Å; D311-A336 WeakPolarHBondContact OD1-CB 3.4Å
312	D	97.6	Very high	97.9	Very high	49 Å²	49	40.4 Å²	40.4	26%	0.262	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	18.5	-176.8	-57.9	-43.8	0	0	0	114.8	R287 F314 A315 A336 N339	R287-D312 WeakPolarHBondContact CB-O 3.31Å; R287-D312 WeakPolarHBondContact CG-O 3.29Å; D312-F314 PolarHBondContact O-N 2.93Å; D312-A315 HydrophobicContact CB-CB 3.83Å; D312-A315 WeakPolarHBondContact O-CB 3.37Å; D312-A315 PolarHBondContact O-N 3.25Å; D312-A336 PolarHBondContact N-O 3.47Å; D312-N339 WeakPolarHBondContact OD1-CB 3.18Å; D312-N339 PolarHBondContact OD1-ND2 3.39Å
313	A	97.7	Very high	97.9	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-34.4	-177.8	0	0	0	0	0	113.3	L285 I309 E310 D311	L285-A313 HydrophobicContact CB-CB 4.29Å; I309-A313 HydrophobicContact CG2-CB 3.78Å; E310-A313 WeakPolarHBondContact O-CB 3.41Å; E310-A313 PolarHBondContact O-N 2.96Å; D311-A313 PolarHBondContact O-N 2.92Å; D311-A313 VanDerWaalsContact O-N 3.09Å
314	F	98	Very high	98	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	12.9	-178.3	-49.8	-75.3	0	0	0	114.1	L285 F290 L299 L301 I309 D312 E316 L317 L323 L325 Q337 F338 L341	L285-F314 HydrophobicContact CD1-CE1 3.84Å; L285-F314 HydrophobicContact CD1-CE2 4.44Å; L285-F314 HydrophobicContact CD1-CZ 3.4Å; L285-F314 VanDerWaalsContact CD1-CZ 3.4Å; F290-F314 HydrophobicContact CD2-CD1 4.07Å; F290-F314 HydrophobicContact CD2-CE1 4.42Å; F290-F314 AromaticContact CE2-CD1 3.97Å; F290-F314 HydrophobicContact CE2-CD1 3.97Å; F290-F314 AromaticContact CE2-CE1 3.85Å; F290-F314 HydrophobicContact CE2-CE1 3.85Å; F290-F314 HydrophobicContact CZ-CE1 4.49Å; L299-F314 HydrophobicContact CD2-CD1 4.33Å; L299-F314 HydrophobicContact CD2-CE1 4.23Å; L301-F314 HydrophobicContact CD1-CE1 4.23Å; I309-F314 HydrophobicContact CG2-CE2 3.82Å; I309-F314 HydrophobicContact CG2-CZ 4.36Å; D312-F314 PolarHBondContact O-N 2.93Å; F314-E316 PolarHBondContact O-N 2.86Å; F314-L317 HydrophobicContact CB-CD1 4.1Å; F314-L317 HydrophobicContact CB-CG 4.46Å; F314-L317 HydrophobicContact CD1-CD1 3.88Å; F314-L317 HydrophobicContact CG-CD1 4.48Å; F314-L317 WeakPolarHBondContact O-CB 3.3Å; F314-L317 PolarHBondContact O-N 2.58Å; F314-L323 HydrophobicContact CD1-CD2 4.49Å; F314-L323 HydrophobicContact CD2-CD2 4.27Å; F314-L323 HydrophobicContact CE1-CD1 4.12Å; F314-L323 HydrophobicContact CE1-CD2 4.16Å; F314-L323 HydrophobicContact CE2-CD2 3.94Å; F314-L323 HydrophobicContact CZ-CD1 4.36Å; F314-L323 HydrophobicContact CZ-CD2 3.85Å; F314-L325 HydrophobicContact CZ-CD1 4.39Å; F314-Q337 WeakPolarHBondContact CD2-O 3.31Å; F314-F338 AromaticContact CD2-CD1 3.96Å; F314-F338 HydrophobicContact CD2-CD1 3.96Å; F314-F338 HydrophobicContact CD2-CE1 4.35Å; F314-F338 AromaticContact CE2-CD1 3.99Å; F314-F338 HydrophobicContact CE2-CD1 3.99Å; F314-F338 AromaticContact CE2-CE1 3.91Å; F314-F338 HydrophobicContact CE2-CE1 3.91Å; F314-L341 HydrophobicContact CB-CD1 3.91Å; F314-L341 HydrophobicContact CB-CD2 3.78Å; F314-L341 HydrophobicContact CB-CG 4.05Å; F314-L341 HydrophobicContact CD2-CD1 4.21Å; F314-L341 HydrophobicContact CG-CD1 4.28Å
315	A	96.6	Very high	98	Very high	9 Å²	9	36.8 Å²	36.8	7%	0.074	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.4	-166.8	0	0	0	0	0	115.4	D312 N339 Q340	D312-A315 HydrophobicContact CB-CB 3.83Å; D312-A315 WeakPolarHBondContact O-CB 3.37Å; D312-A315 PolarHBondContact O-N 3.25Å; A315-N339 WeakPolarHBondContact CA-O 3.42Å; A315-Q340 HydrophobicContact CB-CB 4.35Å; A315-Q340 HydrophobicContact CB-CG 4.04Å; A315-Q340 VanDerWaalsContact O-CB 3.28Å; A315-Q340 WeakPolarHBondContact O-CB 3.41Å
316	E	94.6	Very high	98	Very high	57 Å²	57	34.6 Å²	34.6	27%	0.266	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-15.1	178.1	-58.5	-70.1	142.6	0	0	112.7	R287 F314 T318	R287-E316 IonicContact NH2-OE1 3.44Å; R287-E316 PolarHBondContact NH2-OE1 3.31Å; F314-E316 PolarHBondContact O-N 2.86Å; E316-T318 PolarHBondContact O-N 3.04Å
317	L	97.6	Very high	98	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.			trans	-84.1	50.3	-176.5	-53.7	-176.1	0	0	0	111.9	F290 L293 L296 L299 F314 N319 L320 L341	F290-L317 HydrophobicContact CB-CD1 4.27Å; F290-L317 HydrophobicContact CB-CD2 3.96Å; F290-L317 HydrophobicContact CB-CG 4.18Å; F290-L317 HydrophobicContact CG-CD1 4.3Å; L293-L317 HydrophobicContact CB-CD2 3.59Å; L293-L317 HydrophobicContact CD1-CD2 4.5Å; L293-L317 WeakPolarHBondContact O-CD2 3.06Å; L296-L317 HydrophobicContact CB-CD2 4.12Å; L296-L317 HydrophobicContact CD2-CD1 4.27Å; L296-L317 HydrophobicContact CD2-CD2 3.88Å; L299-L317 HydrophobicContact CD2-CD1 3.7Å; F314-L317 HydrophobicContact CB-CD1 4.1Å; F314-L317 HydrophobicContact CB-CG 4.46Å; F314-L317 HydrophobicContact CD1-CD1 3.88Å; F314-L317 HydrophobicContact CG-CD1 4.48Å; F314-L317 WeakPolarHBondContact O-CB 3.3Å; F314-L317 PolarHBondContact O-N 2.58Å; L317-N319 PolarHBondContact O-N 3.19Å; L317-N319 VanDerWaalsContact O-N 3.09Å; L317-L320 HydrophobicContact CB-CB 3.97Å; L317-L320 HydrophobicContact CB-CD2 4.28Å; L317-L320 HydrophobicContact CD1-CD1 4.45Å; L317-L320 HydrophobicContact CD1-CD2 3.95Å; L317-L320 WeakPolarHBondContact O-CB 3.47Å; L317-L320 PolarHBondContact O-N 3.04Å; L317-L341 HydrophobicContact CB-CD2 4.04Å; L317-L341 WeakPolarHBondContact O-CD2 3.41Å
318	T	96.8	Very high	98	Very high	54 Å²	54	32.1 Å²	32.1	33%	0.331	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-21.2	-170.8	54.1	0	0	0	0	115.1	E316 Q340 S343	E316-T318 PolarHBondContact O-N 3.04Å; T318-Q340 HydrophobicContact CG2-CB 4.48Å; T318-S343 WeakPolarHBondContact O-CB 3.21Å; T318-S343 PolarHBondContact O-OG 3.43Å
319	N	98.4	Very high	98	Very high	78 Å²	78	33.3 Å²	33.3	42%	0.417	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	6.4	176.4	-71	-68.5	0	0	0	113.9	T294 L296 L317 Q321	T294-N319 PolarHBondContact O-ND2 3.33Å; L296-N319 CarbonylContact O-C 3.17Å; L317-N319 PolarHBondContact O-N 3.19Å; L317-N319 VanDerWaalsContact O-N 3.09Å; N319-Q321 WeakPolarHBondContact O-CG 3.32Å; N319-Q321 PolarHBondContact O-N 3.33Å
320	L	98.8	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.			trans	-62.5	133.4	-177.9	-162.6	70.2	0	0	0	110.2	L296 L299 L317 L323 L341 S343 L344	L296-L320 HydrophobicContact CB-CD1 4.45Å; L296-L320 HydrophobicContact CD2-CD1 4.08Å; L296-L320 HydrophobicContact CG-CD1 4.17Å; L296-L320 WeakPolarHBondContact O-CA 3.37Å; L296-L320 PolarHBondContact O-N 3.47Å; L299-L320 HydrophobicContact CB-CD1 3.8Å; L317-L320 HydrophobicContact CB-CB 3.97Å; L317-L320 HydrophobicContact CB-CD2 4.28Å; L317-L320 HydrophobicContact CD1-CD1 4.45Å; L317-L320 HydrophobicContact CD1-CD2 3.95Å; L317-L320 WeakPolarHBondContact O-CB 3.47Å; L317-L320 PolarHBondContact O-N 3.04Å; L320-L323 HydrophobicContact CD2-CB 4Å; L320-L323 HydrophobicContact CD2-CD1 4.37Å; L320-L323 HydrophobicContact CD2-CD2 4.45Å; L320-L341 HydrophobicContact CB-CD2 4.14Å; L320-L341 HydrophobicContact CD2-CD2 4.07Å; L320-S343 CarbonylContact O-C 3.08Å; L320-S343 WeakPolarHBondContact O-CB 3.32Å; L320-L344 HydrophobicContact CB-CD1 4.37Å; L320-L344 HydrophobicContact CD2-CD1 3.94Å; L320-L344 HydrophobicContact CG-CD1 3.95Å; L320-L344 WeakPolarHBondContact O-CA 3.22Å; L320-L344 PolarHBondContact O-N 3.27Å
321	Q	98.9	Very high	98	Very high	62 Å²	62	31 Å²	31	29%	0.29	16%	0.163	S	C	.	.			trans	-114.3	-36.2	-177.8	-57	-175.4	6.2	0	0	111.1	K297 N319 R345 A346	K297-Q321 HydrophobicContact CB-CG 4.25Å; K297-Q321 HydrophobicContact CG-CG 4.48Å; K297-Q321 WeakPolarHBondContact O-CA 3.48Å; K297-Q321 WeakPolarHBondContact O-CB 3.47Å; K297-Q321 PolarHBondContact O-N 3.08Å; N319-Q321 WeakPolarHBondContact O-CG 3.32Å; N319-Q321 PolarHBondContact O-N 3.33Å; Q321-R345 WeakPolarHBondContact O-CA 3.13Å; Q321-R345 PolarHBondContact O-N 2.99Å; Q321-A346 PolarHBondContact O-N 3.27Å
322	E	98.9	Very high	97.9	Very high	82 Å²	82	30 Å²	30	38%	0.383	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.6	178.9	-58	-170.4	-171.3	0	0	110.7	K297 L299 H324 A346	K297-E322 PolarHBondContact O-N 2.67Å; L299-E322 PolarHBondContact N-O 2.92Å; E322-H324 IonicContact OE2-NE2 4Å; E322-H324 PolarHBondContact OE2-NE2 3.13Å; E322-A346 WeakPolarHBondContact CA-O 3.37Å; E322-A346 HydrophobicContact CG-CB 4.1Å
323	L	98.9	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	114.9	176.2	177.9	56.3	0	0	0	109.4	L299 L301 F314 L320 L325 F338 L341 L344 A346 L347 H348	L299-L323 HydrophobicContact CB-CD1 4.11Å; L299-L323 HydrophobicContact CD2-CD1 3.98Å; L299-L323 HydrophobicContact CG-CD1 4.04Å; L301-L323 HydrophobicContact CD1-CD1 4.23Å; F314-L323 HydrophobicContact CD1-CD2 4.49Å; F314-L323 HydrophobicContact CD2-CD2 4.27Å; F314-L323 HydrophobicContact CE1-CD1 4.12Å; F314-L323 HydrophobicContact CE1-CD2 4.16Å; F314-L323 HydrophobicContact CE2-CD2 3.94Å; F314-L323 HydrophobicContact CZ-CD1 4.36Å; F314-L323 HydrophobicContact CZ-CD2 3.85Å; L320-L323 HydrophobicContact CD2-CB 4Å; L320-L323 HydrophobicContact CD2-CD1 4.37Å; L320-L323 HydrophobicContact CD2-CD2 4.45Å; L323-L325 HydrophobicContact CD1-CD1 4.47Å; L323-L325 HydrophobicContact CD1-CG 4.23Å; L323-L325 HydrophobicContact CD2-CD1 3.91Å; L323-L325 HydrophobicContact CG-CD1 3.99Å; L323-L325 HydrophobicContact CG-CG 4.11Å; L323-F338 HydrophobicContact CD2-CD1 4.44Å; L323-F338 HydrophobicContact CD2-CE1 4.12Å; L323-L341 HydrophobicContact CD2-CD1 4.32Å; L323-L344 HydrophobicContact CB-CD1 3.81Å; L323-L344 HydrophobicContact CB-CD2 4.49Å; L323-A346 PolarHBondContact N-O 2.91Å; L323-L347 HydrophobicContact CB-CD1 4.11Å; L323-L347 HydrophobicContact CD2-CD1 3.96Å; L323-L347 HydrophobicContact CG-CD1 4.03Å; L323-H348 PolarHBondContact O-N 3.26Å
324	H	98.8	Very high	97.9	Very high	14 Å²	14	34.2 Å²	34.2	7%	0.065	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.1	-179.6	-60	-93.9	0	0	0	111.1	L299 D300 L301 R302 E322 H348	L299-H324 PolarHBondContact O-N 3.28Å; D300-H324 HydrophobicContact CB-CB 4.46Å; L301-H324 CarbonylContact C-O 3.5Å; L301-H324 WeakPolarHBondContact CA-O 3.4Å; L301-H324 WeakPolarHBondContact CB-O 3.44Å; L301-H324 PolarHBondContact N-O 2.63Å; R302-H324 HydrophobicContact CG-CB 3.7Å; R302-H324 PolarHBondContact N-O 3.28Å; E322-H324 IonicContact OE2-NE2 4Å; E322-H324 PolarHBondContact OE2-NE2 3.13Å; H324-H348 AromaticContact CE1-CD2 3.35Å; H324-H348 PolarHBondContact CE1-CD2 2.93Å; H324-H348 AromaticContact CE1-CE1 3.77Å; H324-H348 AromaticContact CE1-CG 3.81Å; H324-H348 AromaticContact CE1-NE2 3.36Å; H324-H348 PolarHBondContact CE1-NE2 3.45Å; H324-H348 AromaticContact ND1-CD2 3.37Å; H324-H348 PolarHBondContact ND1-CD2 2.8Å; H324-H348 AromaticContact ND1-CG 3.45Å; H324-H348 AromaticContact ND1-ND1 3.89Å; H324-H348 AromaticContact ND1-NE2 3.83Å
325	L	98.8	Very high	97.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.			trans	-120.2	14.7	-179.2	-74.6	166.2	0	0	0	112.2	L285 L301 I306 I309 F314 L323 N328 I330 F338 L347 H348 L349 N352	L285-L325 HydrophobicContact CD1-CD2 3.83Å; L301-L325 HydrophobicContact CB-CD2 4Å; L301-L325 HydrophobicContact CD1-CD2 3.88Å; I306-L325 HydrophobicContact CD1-CD2 4.09Å; I309-L325 HydrophobicContact CD1-CD1 3.97Å; F314-L325 HydrophobicContact CZ-CD1 4.39Å; L323-L325 HydrophobicContact CD1-CD1 4.47Å; L323-L325 HydrophobicContact CD1-CG 4.23Å; L323-L325 HydrophobicContact CD2-CD1 3.91Å; L323-L325 HydrophobicContact CG-CD1 3.99Å; L323-L325 HydrophobicContact CG-CG 4.11Å; L325-N328 PolarHBondContact O-ND2 3.4Å; L325-I330 HydrophobicContact CB-CD1 4.09Å; L325-I330 HydrophobicContact CD1-CD1 4.41Å; L325-I330 HydrophobicContact CD2-CD1 4.38Å; L325-F338 HydrophobicContact CD1-CE1 4.42Å; L325-L347 HydrophobicContact CD1-CD1 4.3Å; L325-H348 CarbonylContact C-O 3.36Å; L325-H348 VanDerWaalsContact C-O 3.3Å; L325-H348 WeakPolarHBondContact CA-O 2.97Å; L325-H348 PolarHBondContact N-O 3.44Å; L325-L349 HydrophobicContact CB-CD2 3.9Å; L325-L349 HydrophobicContact CD1-CD2 3.96Å; L325-N352 PolarHBondContact O-ND2 3.38Å; L325-N352 VanDerWaalsContact O-ND2 3.08Å
326	S	98.7	Very high	97.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.			trans	-71.8	146.3	-175.3	-60.2	0	0	0	0	113.1	R302 V303 H348 G350	R302-S326 CarbonylContact C-O 3.14Å; R302-S326 WeakPolarHBondContact CA-O 3.38Å; R302-S326 WeakPolarHBondContact CB-O 3.47Å; V303-S326 PolarHBondContact N-O 3.24Å; S326-H348 PolarHBondContact N-O 3.16Å; S326-H348 VanDerWaalsContact N-O 3.11Å; S326-H348 PolarHBondContact OG-O 2.89Å; S326-H348 VanDerWaalsContact OG-O 3.14Å; S326-G350 CarbonylContact C-O 3.17Å; S326-G350 WeakPolarHBondContact CA-O 2.98Å; S326-G350 VanDerWaalsContact CB-O 3.25Å; S326-G350 WeakPolarHBondContact CB-O 3.5Å; S326-G350 PolarHBondContact OG-N 2.81Å; S326-G350 PolarHBondContact OG-O 3.08Å
327	G	98.4	Very high	98.1	Very high	4 Å²	4	34.4 Å²	34.4	4%	0.041	18%	0.179	C	C	.	.	S	Bend	trans	74.1	37.7	-179.9	0	0	0	0	0	113.2	V303 G350 W351	V303-G327 VanDerWaalsContact CA-O 3.29Å; V303-G327 WeakPolarHBondContact CA-O 3.3Å; V303-G327 PolarHBondContact N-O 3.39Å; G327-G350 PolarHBondContact N-O 3.01Å; G327-G350 VanDerWaalsContact N-O 3.08Å; G327-W351 WeakPolarHBondContact CA-O 3.32Å; G327-W351 PolarHBondContact N-O 3.37Å
328	N	98.7	Very high	98.2	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	18%	0.179	C	C	.	.	S	Bend	trans	-116.6	-169.4	175.2	-79.4	-71	0	0	0	109.7	L301 N304 I306 L325 I330 W351 N352	L301-N328 PolarHBondContact O-ND2 3.28Å; N304-N328 VanDerWaalsContact CA-OD1 3.26Å; N304-N328 WeakPolarHBondContact CA-OD1 3.45Å; N304-N328 WeakPolarHBondContact CB-OD1 3.3Å; N304-N328 PolarHBondContact N-OD1 2.96Å; N304-N328 VanDerWaalsContact N-OD1 3.17Å; N304-N328 PolarHBondContact O-OD1 2.97Å; I306-N328 HydrophobicContact CB-CB 4.06Å; I306-N328 WeakPolarHBondContact CB-OD1 3.1Å; I306-N328 WeakPolarHBondContact CG1-OD1 3.46Å; I306-N328 PolarHBondContact N-OD1 3.23Å; I306-N328 VanDerWaalsContact N-OD1 3.1Å; L325-N328 PolarHBondContact O-ND2 3.4Å; N328-I330 HydrophobicContact CB-CD1 4.3Å; N328-I330 HydrophobicContact CB-CG1 4.19Å; N328-W351 PolarHBondContact N-O 2.96Å; N328-N352 WeakPolarHBondContact CA-OD1 3.43Å; N328-N352 VanDerWaalsContact CB-OD1 3.24Å; N328-N352 WeakPolarHBondContact CB-OD1 3.44Å; N328-N352 PolarHBondContact O-OD1 3.39Å
329	Y	98.4	Very high	98.2	Very high	95 Å²	95	34.2 Å²	34.2	37%	0.373	18%	0.176	S	C	.	.			trans	-113.8	31.6	-177.5	-60.3	-88	0	0	0	111.9	L305 I306 A331 E353	L305-Y329 HydrophobicContact CD2-CD2 4.49Å; L305-Y329 HydrophobicContact CD2-CE2 3.67Å; I306-Y329 CarbonylContact O-C 3.11Å; I306-Y329 VanDerWaalsContact O-C 3.27Å; I306-Y329 WeakPolarHBondContact O-CA 3.46Å; I306-Y329 PolarHBondContact O-N 2.82Å; Y329-A331 PolarHBondContact O-N 3.2Å; Y329-E353 HydrophobicContact CD1-CG 4.42Å
330	I	98.5	Very high	98.1	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	18%	0.179	C	C	.	.			trans	-73.7	123.2	-177.2	-55.8	165.4	0	0	0	108.7	I306 I309 L325 N328 N332 I333 L349 N352 E353 F354	I306-I330 HydrophobicContact CG2-CD1 4.43Å; I306-I330 HydrophobicContact CG2-CG1 4.18Å; I306-I330 PolarHBondContact O-N 3.38Å; I309-I330 HydrophobicContact CD1-CD1 3.85Å; I309-I330 HydrophobicContact CD1-CG1 4.46Å; L325-I330 HydrophobicContact CB-CD1 4.09Å; L325-I330 HydrophobicContact CD1-CD1 4.41Å; L325-I330 HydrophobicContact CD2-CD1 4.38Å; N328-I330 HydrophobicContact CB-CD1 4.3Å; N328-I330 HydrophobicContact CB-CG1 4.19Å; I330-N332 VanDerWaalsContact CG2-O 3.26Å; I330-N332 WeakPolarHBondContact CG2-O 3.18Å; I330-I333 HydrophobicContact CG2-CD1 4.02Å; I330-I333 HydrophobicContact CG2-CG1 4.13Å; I330-L349 HydrophobicContact CD1-CD2 4.15Å; I330-N352 HydrophobicContact CB-CB 4.34Å; I330-N352 WeakPolarHBondContact CB-OD1 3.46Å; I330-N352 WeakPolarHBondContact CG1-OD1 3.22Å; I330-N352 PolarHBondContact N-OD1 3.26Å; I330-N352 VanDerWaalsContact N-OD1 3.09Å; I330-E353 CarbonylContact O-C 3.27Å; I330-E353 WeakPolarHBondContact O-CA 3.31Å; I330-E353 PolarHBondContact O-N 2.96Å; I330-F354 HydrophobicContact CB-CZ 4.08Å; I330-F354 HydrophobicContact CG2-CE1 3.8Å; I330-F354 HydrophobicContact CG2-CE2 4.45Å; I330-F354 HydrophobicContact CG2-CZ 3.55Å; I330-F354 PolarHBondContact O-N 3.33Å
331	A	97.7	Very high	98.1	Very high	48 Å²	48	35.4 Å²	35.4	40%	0.397	18%	0.179	S	C	.	.			trans	-102.8	-22.9	-178.9	0	0	0	0	0	113.7	Y329	Y329-A331 PolarHBondContact O-N 3.2Å
332	N	95.9	Very high	98	Very high	72 Å²	72	36.6 Å²	36.6	39%	0.385	19%	0.187	S	C	.	.			trans	-148.3	158.2	178.4	59.6	40.3	0	0	0	111.2	I330	I330-N332 VanDerWaalsContact CG2-O 3.26Å; I330-N332 WeakPolarHBondContact CG2-O 3.18Å
333	I	97.4	Very high	98	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.031	18%	0.182	C	C	.	.			trans	-136.9	143.7	176.4	-80.5	-61.7	0	0	0	108.7	I309 I330 Q337 F338 L349 F354 A361 F362	I309-I333 HydrophobicContact CD1-CD1 3.93Å; I330-I333 HydrophobicContact CG2-CD1 4.02Å; I330-I333 HydrophobicContact CG2-CG1 4.13Å; I333-Q337 VanDerWaalsContact CA-OE1 3.27Å; I333-Q337 VanDerWaalsContact CD1-OE1 3.28Å; I333-F338 HydrophobicContact CD1-CE2 3.98Å; I333-F338 HydrophobicContact CD1-CZ 3.63Å; I333-F338 HydrophobicContact CG1-CE2 4.4Å; I333-F338 HydrophobicContact CG1-CZ 4.36Å; I333-F338 HydrophobicContact CG2-CD2 4.21Å; I333-F338 HydrophobicContact CG2-CE2 3.38Å; I333-F338 HydrophobicContact CG2-CZ 4.15Å; I333-L349 HydrophobicContact CG1-CD1 4.43Å; I333-F354 HydrophobicContact CB-CE1 4.11Å; I333-F354 HydrophobicContact CG1-CE1 3.59Å; I333-F354 HydrophobicContact CG1-CZ 3.59Å; I333-A361 HydrophobicContact CG2-CB 4.25Å; I333-F362 HydrophobicContact CG2-CD1 4.25Å; I333-F362 HydrophobicContact CG2-CE1 3.87Å
334	R	97	Very high	98	Very high	131 Å²	131	34.6 Å²	34.6	49%	0.494	18%	0.182	S	C	.	.			trans	-131.8	149.7	174.9	-63.2	-179	-177.4	142.9	3.2	110.4	A336 Q337 A361	R334-A336 PolarHBondContact O-N 3.43Å; R334-A336 VanDerWaalsContact O-N 3.07Å; R334-Q337 WeakPolarHBondContact O-CB 3.27Å; R334-Q337 PolarHBondContact O-N 3.02Å; R334-Q337 PolarHBondContact O-OE1 3.45Å; R334-A361 CarbonylContact C-O 3.27Å
335	S	97.6	Very high	98	Very high	34 Å²	34	40.3 Å²	40.3	24%	0.238	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-52.4	-37.7	-179.5	-170	0	0	0	0	113.5	Q337 F338 G360 A361 S364	S335-Q337 PolarHBondContact O-N 2.84Å; S335-F338 PolarHBondContact O-N 3.32Å; S335-G360 WeakPolarHBondContact CB-O 3.41Å; S335-A361 WeakPolarHBondContact CA-O 2.95Å; S335-A361 PolarHBondContact N-O 3.01Å; S335-A361 VanDerWaalsContact N-O 3.13Å; S335-S364 WeakPolarHBondContact O-CB 3.06Å; S335-S364 PolarHBondContact O-OG 3.07Å; S335-S364 WeakPolarHBondContact OG-CB 3.13Å; S335-S364 PolarHBondContact OG-N 2.63Å; S335-S364 VanDerWaalsContact OG-N 3.08Å; S335-S364 PolarHBondContact OG-OG 2.7Å
336	A	98	Very high	98	Very high	30 Å²	30	40.7 Å²	40.7	25%	0.248	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-65.1	-23.5	-175.9	0	0	0	0	0	113.7	D311 D312 R334 F338 N339	D311-A336 HydrophobicContact CB-CB 4.11Å; D311-A336 WeakPolarHBondContact OD1-CB 3.4Å; D312-A336 PolarHBondContact N-O 3.47Å; R334-A336 PolarHBondContact O-N 3.43Å; R334-A336 VanDerWaalsContact O-N 3.07Å; A336-F338 PolarHBondContact O-N 3.24Å; A336-N339 PolarHBondContact O-ND2 2.91Å
337	Q	98.4	Very high	98	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.033	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-67.4	-27	178	-66.4	166.1	-26.1	0	0	112.4	I309 F314 I333 R334 S335	I309-Q337 HydrophobicContact CB-CG 4.29Å; I309-Q337 HydrophobicContact CG2-CB 3.85Å; I309-Q337 HydrophobicContact CG2-CG 4.07Å; I309-Q337 WeakPolarHBondContact O-CG 3.49Å; I309-Q337 PolarHBondContact O-NE2 3.32Å; F314-Q337 WeakPolarHBondContact CD2-O 3.31Å; I333-Q337 VanDerWaalsContact CA-OE1 3.27Å; I333-Q337 VanDerWaalsContact CD1-OE1 3.28Å; R334-Q337 WeakPolarHBondContact O-CB 3.27Å; R334-Q337 PolarHBondContact O-N 3.02Å; R334-Q337 PolarHBondContact O-OE1 3.45Å; S335-Q337 PolarHBondContact O-N 2.84Å
338	F	98.3	Very high	98.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-108.2	16.7	-176.6	-57.3	-58.3	0	0	0	114.2	F314 L323 L325 I333 S335 A336 L341 L347 F362 L365	F314-F338 AromaticContact CD2-CD1 3.96Å; F314-F338 HydrophobicContact CD2-CD1 3.96Å; F314-F338 HydrophobicContact CD2-CE1 4.35Å; F314-F338 AromaticContact CE2-CD1 3.99Å; F314-F338 HydrophobicContact CE2-CD1 3.99Å; F314-F338 AromaticContact CE2-CE1 3.91Å; F314-F338 HydrophobicContact CE2-CE1 3.91Å; L323-F338 HydrophobicContact CD2-CD1 4.44Å; L323-F338 HydrophobicContact CD2-CE1 4.12Å; L325-F338 HydrophobicContact CD1-CE1 4.42Å; I333-F338 HydrophobicContact CD1-CE2 3.98Å; I333-F338 HydrophobicContact CD1-CZ 3.63Å; I333-F338 HydrophobicContact CG1-CE2 4.4Å; I333-F338 HydrophobicContact CG1-CZ 4.36Å; I333-F338 HydrophobicContact CG2-CD2 4.21Å; I333-F338 HydrophobicContact CG2-CE2 3.38Å; I333-F338 HydrophobicContact CG2-CZ 4.15Å; S335-F338 PolarHBondContact O-N 3.32Å; A336-F338 PolarHBondContact O-N 3.24Å; F338-L341 HydrophobicContact CB-CD1 4.09Å; F338-L341 HydrophobicContact CD1-CD1 3.94Å; F338-L341 HydrophobicContact CG-CD1 4.47Å; F338-L341 WeakPolarHBondContact O-CB 3.1Å; F338-L341 WeakPolarHBondContact O-CG 3.43Å; F338-L341 PolarHBondContact O-N 3.35Å; F338-L347 HydrophobicContact CE1-CD1 4.34Å; F338-L347 HydrophobicContact CE1-CD2 4.4Å; F338-L347 HydrophobicContact CE2-CD2 4.04Å; F338-L347 HydrophobicContact CZ-CD1 4.37Å; F338-L347 HydrophobicContact CZ-CD2 3.9Å; F338-F362 HydrophobicContact CE2-CD1 4.22Å; F338-F362 HydrophobicContact CE2-CE1 4.41Å; F338-L365 HydrophobicContact CB-CD1 4.38Å; F338-L365 HydrophobicContact CB-CD2 3.76Å; F338-L365 HydrophobicContact CB-CG 4.08Å; F338-L365 HydrophobicContact CD2-CD1 4.07Å; F338-L365 HydrophobicContact CG-CD1 4.27Å; F338-L365 HydrophobicContact CG-CD2 4.39Å
339	N	97.9	Very high	98.1	Very high	49 Å²	49	41.2 Å²	41.2	26%	0.262	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	145.3	176.7	-75.7	-18.5	0	0	0	112.1	D312 A315 A336 L341	D312-N339 WeakPolarHBondContact OD1-CB 3.18Å; D312-N339 PolarHBondContact OD1-ND2 3.39Å; A315-N339 WeakPolarHBondContact CA-O 3.42Å; A336-N339 PolarHBondContact O-ND2 2.91Å; N339-L341 PolarHBondContact O-N 2.95Å
340	Q	97.1	Very high	98.1	Very high	104 Å²	104	36.7 Å²	36.7	49%	0.486	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	0.1	-179.3	-49.1	-60.3	-47.1	0	0	116.6	A315 T318 N342	A315-Q340 HydrophobicContact CB-CB 4.35Å; A315-Q340 HydrophobicContact CB-CG 4.04Å; A315-Q340 VanDerWaalsContact O-CB 3.28Å; A315-Q340 WeakPolarHBondContact O-CB 3.41Å; T318-Q340 HydrophobicContact CG2-CB 4.48Å; Q340-N342 PolarHBondContact O-N 3.27Å; Q340-N342 PolarHBondContact O-ND2 2.82Å
341	L	98.2	Very high	98.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.			trans	-76.6	49.1	174.2	-64.5	-170.8	0	0	0	112.8	F314 L317 L320 L323 F338 N339 S343 L344 L365	F314-L341 HydrophobicContact CB-CD1 3.91Å; F314-L341 HydrophobicContact CB-CD2 3.78Å; F314-L341 HydrophobicContact CB-CG 4.05Å; F314-L341 HydrophobicContact CD2-CD1 4.21Å; F314-L341 HydrophobicContact CG-CD1 4.28Å; L317-L341 HydrophobicContact CB-CD2 4.04Å; L317-L341 WeakPolarHBondContact O-CD2 3.41Å; L320-L341 HydrophobicContact CB-CD2 4.14Å; L320-L341 HydrophobicContact CD2-CD2 4.07Å; L323-L341 HydrophobicContact CD2-CD1 4.32Å; F338-L341 HydrophobicContact CB-CD1 4.09Å; F338-L341 HydrophobicContact CD1-CD1 3.94Å; F338-L341 HydrophobicContact CG-CD1 4.47Å; F338-L341 WeakPolarHBondContact O-CB 3.1Å; F338-L341 WeakPolarHBondContact O-CG 3.43Å; F338-L341 PolarHBondContact O-N 3.35Å; N339-L341 PolarHBondContact O-N 2.95Å; L341-S343 PolarHBondContact O-N 3.12Å; L341-S343 VanDerWaalsContact O-N 3.13Å; L341-L344 HydrophobicContact CB-CB 4.06Å; L341-L344 HydrophobicContact CD1-CD2 4.07Å; L341-L344 WeakPolarHBondContact O-CB 3.46Å; L341-L344 PolarHBondContact O-N 3.1Å; L341-L344 VanDerWaalsContact O-N 3.14Å; L341-L365 HydrophobicContact CB-CD2 3.72Å; L341-L365 HydrophobicContact CD1-CD2 4.35Å
342	N	97.4	Very high	98.1	Very high	87 Å²	87	37.2 Å²	37.2	47%	0.465	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.7	-174.4	-60.3	-58.4	0	0	0	113.8	Q340 A367	Q340-N342 PolarHBondContact O-N 3.27Å; Q340-N342 PolarHBondContact O-ND2 2.82Å; N342-A367 WeakPolarHBondContact O-CB 3.28Å
343	S	98.5	Very high	98.2	Very high	40 Å²	40	37 Å²	37	28%	0.28	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-3.8	-179.6	-58.5	0	0	0	0	113.3	T318 L320 L341 R345	T318-S343 WeakPolarHBondContact O-CB 3.21Å; T318-S343 PolarHBondContact O-OG 3.43Å; L320-S343 CarbonylContact O-C 3.08Å; L320-S343 WeakPolarHBondContact O-CB 3.32Å; L341-S343 PolarHBondContact O-N 3.12Å; L341-S343 VanDerWaalsContact O-N 3.13Å; S343-R345 WeakPolarHBondContact O-CG 3.48Å; S343-R345 PolarHBondContact O-N 3.22Å
344	L	98.8	Very high	98.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.177	C	C	.	.			trans	-69.8	126.8	-171.2	-167.2	76.3	0	0	0	110.3	L320 L323 L341 L347 L365 A367 L368	L320-L344 HydrophobicContact CB-CD1 4.37Å; L320-L344 HydrophobicContact CD2-CD1 3.94Å; L320-L344 HydrophobicContact CG-CD1 3.95Å; L320-L344 WeakPolarHBondContact O-CA 3.22Å; L320-L344 PolarHBondContact O-N 3.27Å; L323-L344 HydrophobicContact CB-CD1 3.81Å; L323-L344 HydrophobicContact CB-CD2 4.49Å; L341-L344 HydrophobicContact CB-CB 4.06Å; L341-L344 HydrophobicContact CD1-CD2 4.07Å; L341-L344 WeakPolarHBondContact O-CB 3.46Å; L341-L344 PolarHBondContact O-N 3.1Å; L341-L344 VanDerWaalsContact O-N 3.14Å; L344-L347 HydrophobicContact CD2-CB 4.18Å; L344-L365 HydrophobicContact CB-CD2 4.24Å; L344-L365 HydrophobicContact CD2-CD1 4.19Å; L344-L365 HydrophobicContact CD2-CD2 3.66Å; L344-A367 CarbonylContact O-C 3.35Å; L344-L368 HydrophobicContact CD2-CD1 4.05Å; L344-L368 HydrophobicContact CG-CD1 4.14Å; L344-L368 VanDerWaalsContact O-CA 3.28Å; L344-L368 WeakPolarHBondContact O-CA 3.4Å; L344-L368 PolarHBondContact O-N 3.09Å; L344-L368 VanDerWaalsContact O-N 3.16Å
345	R	98.8	Very high	98.2	Very high	134 Å²	134	33.5 Å²	33.5	51%	0.506	17%	0.172	S	C	.	.			trans	-110.9	-33.2	-176.7	-62.6	179.5	-178.2	179	0.2	112.2	Q321 S343 K369 D370	Q321-R345 WeakPolarHBondContact O-CA 3.13Å; Q321-R345 PolarHBondContact O-N 2.99Å; S343-R345 WeakPolarHBondContact O-CG 3.48Å; S343-R345 PolarHBondContact O-N 3.22Å; R345-K369 WeakPolarHBondContact O-CA 3.24Å; R345-K369 PolarHBondContact O-N 2.63Å; R345-D370 PolarHBondContact O-N 2.74Å
346	A	98.9	Very high	98.2	Very high	8 Å²	8	34.8 Å²	34.8	7%	0.066	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.5	179.2	0	0	0	0	0	111.4	Q321 E322 L323 D370	Q321-A346 PolarHBondContact O-N 3.27Å; E322-A346 WeakPolarHBondContact CA-O 3.37Å; E322-A346 HydrophobicContact CG-CB 4.1Å; L323-A346 PolarHBondContact N-O 2.91Å; A346-D370 WeakPolarHBondContact CA-O 3.27Å; A346-D370 HydrophobicContact CB-CB 4.03Å
347	L	98.9	Very high	98.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	115.1	177.1	177.3	57.5	0	0	0	109.4	L323 L325 F338 L344 L349 F362 L365 L368 D370 L371 Q372	L323-L347 HydrophobicContact CB-CD1 4.11Å; L323-L347 HydrophobicContact CD2-CD1 3.96Å; L323-L347 HydrophobicContact CG-CD1 4.03Å; L325-L347 HydrophobicContact CD1-CD1 4.3Å; F338-L347 HydrophobicContact CE1-CD1 4.34Å; F338-L347 HydrophobicContact CE1-CD2 4.4Å; F338-L347 HydrophobicContact CE2-CD2 4.04Å; F338-L347 HydrophobicContact CZ-CD1 4.37Å; F338-L347 HydrophobicContact CZ-CD2 3.9Å; L344-L347 HydrophobicContact CD2-CB 4.18Å; L347-L349 HydrophobicContact CD1-CD1 4.37Å; L347-L349 HydrophobicContact CD1-CG 4.14Å; L347-L349 HydrophobicContact CD2-CD1 3.77Å; L347-L349 HydrophobicContact CD2-CG 4.41Å; L347-L349 HydrophobicContact CG-CD1 3.86Å; L347-L349 HydrophobicContact CG-CG 3.97Å; L347-F362 HydrophobicContact CD2-CD1 4.12Å; L347-F362 HydrophobicContact CD2-CE1 4.16Å; L347-L365 HydrophobicContact CD2-CD1 3.64Å; L347-L368 HydrophobicContact CB-CD1 3.76Å; L347-L368 HydrophobicContact CB-CD2 4.36Å; L347-D370 PolarHBondContact N-O 3.32Å; L347-L371 HydrophobicContact CB-CD1 4.23Å; L347-L371 HydrophobicContact CD2-CD1 4.14Å; L347-L371 HydrophobicContact CG-CD1 4.2Å; L347-Q372 PolarHBondContact O-N 2.97Å
348	H	98.8	Very high	98.1	Very high	18 Å²	18	37.6 Å²	37.6	8%	0.083	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	103.3	-176.2	-58.2	-112	0	0	0	111.2	L323 H324 L325 S326 Q372 D570	L323-H348 PolarHBondContact O-N 3.26Å; H324-H348 AromaticContact CE1-CD2 3.35Å; H324-H348 PolarHBondContact CE1-CD2 2.93Å; H324-H348 AromaticContact CE1-CE1 3.77Å; H324-H348 AromaticContact CE1-CG 3.81Å; H324-H348 AromaticContact CE1-NE2 3.36Å; H324-H348 PolarHBondContact CE1-NE2 3.45Å; H324-H348 AromaticContact ND1-CD2 3.37Å; H324-H348 PolarHBondContact ND1-CD2 2.8Å; H324-H348 AromaticContact ND1-CG 3.45Å; H324-H348 AromaticContact ND1-ND1 3.89Å; H324-H348 AromaticContact ND1-NE2 3.83Å; L325-H348 CarbonylContact C-O 3.36Å; L325-H348 VanDerWaalsContact C-O 3.3Å; L325-H348 WeakPolarHBondContact CA-O 2.97Å; L325-H348 PolarHBondContact N-O 3.44Å; S326-H348 PolarHBondContact N-O 3.16Å; S326-H348 VanDerWaalsContact N-O 3.11Å; S326-H348 PolarHBondContact OG-O 2.89Å; S326-H348 VanDerWaalsContact OG-O 3.14Å; H348-Q372 HydrophobicContact CB-CB 4.47Å; H348-D570 IonicContact CE1-OD2 3.47Å; H348-D570 PolarHBondContact CE1-OD2 2.94Å; H348-D570 IonicContact CG-OD2 3.94Å; H348-D570 IonicContact ND1-OD1 2.78Å; H348-D570 IonicContact ND1-OD2 3.88Å; H348-D570 PolarHBondContact ND1-OD2 3.04Å
349	L	98.8	Very high	98	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.			trans	-115.3	17.1	-177.2	-73	168.1	0	0	0	112.6	L325 I330 I333 L347 N352 F354 F362 L371 Q372 L373 N376	L325-L349 HydrophobicContact CB-CD2 3.9Å; L325-L349 HydrophobicContact CD1-CD2 3.96Å; I330-L349 HydrophobicContact CD1-CD2 4.15Å; I333-L349 HydrophobicContact CG1-CD1 4.43Å; L347-L349 HydrophobicContact CD1-CD1 4.37Å; L347-L349 HydrophobicContact CD1-CG 4.14Å; L347-L349 HydrophobicContact CD2-CD1 3.77Å; L347-L349 HydrophobicContact CD2-CG 4.41Å; L347-L349 HydrophobicContact CG-CD1 3.86Å; L347-L349 HydrophobicContact CG-CG 3.97Å; L349-N352 PolarHBondContact O-ND2 3.21Å; L349-F354 HydrophobicContact CB-CE2 4.06Å; L349-F354 HydrophobicContact CD1-CZ 4.49Å; L349-F354 HydrophobicContact CD2-CE2 4.34Å; L349-F354 HydrophobicContact CD2-CZ 4.17Å; L349-F362 HydrophobicContact CD1-CE1 3.72Å; L349-F362 HydrophobicContact CD1-CZ 4.21Å; L349-L371 HydrophobicContact CD1-CD1 4.35Å; L349-Q372 CarbonylContact C-O 3.26Å; L349-Q372 VanDerWaalsContact CA-O 3.3Å; L349-Q372 WeakPolarHBondContact CA-O 3.4Å; L349-Q372 WeakPolarHBondContact CB-O 3.17Å; L349-Q372 PolarHBondContact N-O 3.31Å; L349-L373 HydrophobicContact CB-CD2 3.85Å; L349-L373 HydrophobicContact CD1-CD2 4.21Å; L349-N376 PolarHBondContact O-ND2 2.98Å
350	G	98.4	Very high	97.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.			trans	-65.6	161.6	177.9	0	0	0	0	0	112.8	S326 G327 N352 Q372 N374	S326-G350 CarbonylContact C-O 3.17Å; S326-G350 WeakPolarHBondContact CA-O 2.98Å; S326-G350 VanDerWaalsContact CB-O 3.25Å; S326-G350 WeakPolarHBondContact CB-O 3.5Å; S326-G350 PolarHBondContact OG-N 2.81Å; S326-G350 PolarHBondContact OG-O 3.08Å; G327-G350 PolarHBondContact N-O 3.01Å; G327-G350 VanDerWaalsContact N-O 3.08Å; G350-N352 VanDerWaalsContact C-N 3.34Å; G350-N352 PolarHBondContact O-N 3.41Å; G350-N352 PolarHBondContact O-ND2 3.26Å; G350-N352 VanDerWaalsContact O-ND2 3.16Å; G350-Q372 PolarHBondContact N-O 3.3Å; G350-N374 CarbonylContact C-O 3.51Å; G350-N374 WeakPolarHBondContact CA-O 3.26Å
351	W	98.5	Very high	98	Very high	58 Å²	58	35.9 Å²	35.9	22%	0.22	18%	0.181	C	C	.	.	S	Bend	trans	53.9	46.7	177.8	-57.3	85.1	0	0	0	113.7	G327 N328 N374 N375 R571 P572	G327-W351 WeakPolarHBondContact CA-O 3.32Å; G327-W351 PolarHBondContact N-O 3.37Å; N328-W351 PolarHBondContact N-O 2.96Å; W351-N374 PolarHBondContact N-O 2.7Å; W351-N375 HydrophobicContact CD2-CB 3.62Å; W351-N375 VanDerWaalsContact CE2-CG 3.45Å; W351-N375 HydrophobicContact CE3-CB 4.2Å; W351-N375 HydrophobicContact CG-CB 3.82Å; W351-N375 HydrophobicContact CZ2-CB 4.03Å; W351-N375 WeakPolarHBondContact CZ2-OD1 3.49Å; W351-N375 PolarHBondContact NE1-ND2 3.32Å; W351-R571 HydrophobicContact CZ2-CG 4.17Å; W351-P572 HydrophobicContact CB-CG 4.04Å; W351-P572 HydrophobicContact CD2-CG 4.36Å; W351-P572 HydrophobicContact CG-CG 3.91Å
352	N	98.7	Very high	98	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	18%	0.181	C	C	.	.	S	Bend	trans	-117.6	-167	173.1	-84.2	-75.7	0	0	0	109.9	L325 N328 I330 L349 G350 F354 N376	L325-N352 PolarHBondContact O-ND2 3.38Å; L325-N352 VanDerWaalsContact O-ND2 3.08Å; N328-N352 WeakPolarHBondContact CA-OD1 3.43Å; N328-N352 VanDerWaalsContact CB-OD1 3.24Å; N328-N352 WeakPolarHBondContact CB-OD1 3.44Å; N328-N352 PolarHBondContact O-OD1 3.39Å; I330-N352 HydrophobicContact CB-CB 4.34Å; I330-N352 WeakPolarHBondContact CB-OD1 3.46Å; I330-N352 WeakPolarHBondContact CG1-OD1 3.22Å; I330-N352 PolarHBondContact N-OD1 3.26Å; I330-N352 VanDerWaalsContact N-OD1 3.09Å; L349-N352 PolarHBondContact O-ND2 3.21Å; G350-N352 VanDerWaalsContact C-N 3.34Å; G350-N352 PolarHBondContact O-N 3.41Å; G350-N352 PolarHBondContact O-ND2 3.26Å; G350-N352 VanDerWaalsContact O-ND2 3.16Å; N352-F354 HydrophobicContact CB-CD2 3.74Å; N352-F354 HydrophobicContact CB-CE2 3.58Å; N352-N376 WeakPolarHBondContact CA-OD1 3.36Å; N352-N376 VanDerWaalsContact CB-OD1 3.24Å; N352-N376 WeakPolarHBondContact CB-OD1 3.47Å; N352-N376 PolarHBondContact N-OD1 3.49Å; N352-N376 PolarHBondContact O-OD1 2.8Å; N352-N376 VanDerWaalsContact O-OD1 3.07Å
353	E	97.8	Very high	98	Very high	66 Å²	66	34 Å²	34	31%	0.308	18%	0.178	S	C	.	.			trans	-114.2	22.7	-169.8	-63.1	-67.2	148.8	0	0	112.4	Y329 I330 V355 K378	Y329-E353 HydrophobicContact CD1-CG 4.42Å; I330-E353 CarbonylContact O-C 3.27Å; I330-E353 WeakPolarHBondContact O-CA 3.31Å; I330-E353 PolarHBondContact O-N 2.96Å; E353-V355 PolarHBondContact O-N 2.97Å; E353-K378 WeakPolarHBondContact OE2-CD 3.21Å; E353-K378 WeakPolarHBondContact OE2-CE 3.24Å; E353-K378 IonicContact OE2-NZ 2.63Å; E353-K378 PolarHBondContact OE2-NZ 3.46Å
354	F	98.3	Very high	97.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.			trans	-57.2	133	179.1	-66.6	-71	0	0	0	112.1	I330 I333 L349 N352 I357 L373 N376 K378 L379	I330-F354 HydrophobicContact CB-CZ 4.08Å; I330-F354 HydrophobicContact CG2-CE1 3.8Å; I330-F354 HydrophobicContact CG2-CE2 4.45Å; I330-F354 HydrophobicContact CG2-CZ 3.55Å; I330-F354 PolarHBondContact O-N 3.33Å; I333-F354 HydrophobicContact CB-CE1 4.11Å; I333-F354 HydrophobicContact CG1-CE1 3.59Å; I333-F354 HydrophobicContact CG1-CZ 3.59Å; L349-F354 HydrophobicContact CB-CE2 4.06Å; L349-F354 HydrophobicContact CD1-CZ 4.49Å; L349-F354 HydrophobicContact CD2-CE2 4.34Å; L349-F354 HydrophobicContact CD2-CZ 4.17Å; N352-F354 HydrophobicContact CB-CD2 3.74Å; N352-F354 HydrophobicContact CB-CE2 3.58Å; F354-I357 HydrophobicContact CB-CD1 4.44Å; F354-I357 HydrophobicContact CD1-CD1 3.95Å; F354-I357 HydrophobicContact CE1-CD1 4.44Å; F354-I357 HydrophobicContact CG-CD1 4.13Å; F354-L373 HydrophobicContact CD2-CD2 4.39Å; F354-L373 HydrophobicContact CE2-CD2 4.34Å; F354-N376 HydrophobicContact CB-CB 4.46Å; F354-N376 WeakPolarHBondContact CD2-OD1 3.38Å; F354-K378 CarbonylContact O-C 3.4Å; F354-K378 VanDerWaalsContact O-CB 3.31Å; F354-K378 WeakPolarHBondContact O-CB 3.49Å; F354-L379 HydrophobicContact CB-CB 4.39Å; F354-L379 HydrophobicContact CB-CD1 4.37Å; F354-L379 WeakPolarHBondContact O-CA 3.27Å; F354-L379 PolarHBondContact O-N 3.11Å
355	V	97.3	Very high	97.9	Very high	65 Å²	65	32.9 Å²	32.9	39%	0.394	17%	0.17	S	C	.	.	S	Bend	trans	-98.9	-38.1	170.9	179.3	0	0	0	0	110.8	E353 K378 L379 M380 F381	E353-V355 PolarHBondContact O-N 2.97Å; V355-K378 WeakPolarHBondContact CA-O 3.23Å; V355-K378 HydrophobicContact CG2-CB 4.24Å; V355-L379 WeakPolarHBondContact O-CA 3.14Å; V355-M380 PolarHBondContact O-N 2.96Å; V355-F381 PolarHBondContact O-N 3.37Å
356	D	96.7	Very high	97.8	Very high	61 Å²	61	29.3 Å²	29.3	33%	0.326	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	164.8	178.5	62.5	95.4	0	0	0	111.1	E358 F381	D356-E358 WeakPolarHBondContact OD1-CG 3.3Å; D356-F381 WeakPolarHBondContact CA-O 3.25Å; D356-F381 HydrophobicContact CB-CB 4.03Å
357	I	97.9	Very high	97.8	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	110.7	168.2	-55.2	-63.6	0	0	0	108	F354 A361 F362 L373 L379 F381 I382 D383 A386	F354-I357 HydrophobicContact CB-CD1 4.44Å; F354-I357 HydrophobicContact CD1-CD1 3.95Å; F354-I357 HydrophobicContact CE1-CD1 4.44Å; F354-I357 HydrophobicContact CG-CD1 4.13Å; I357-A361 HydrophobicContact CG2-CB 3.84Å; I357-F362 HydrophobicContact CG2-CE2 3.66Å; I357-F362 HydrophobicContact CG2-CZ 4.24Å; I357-L373 HydrophobicContact CD1-CD1 4.46Å; I357-L373 HydrophobicContact CD1-CD2 4.11Å; I357-L373 HydrophobicContact CG1-CD1 4.41Å; I357-L379 HydrophobicContact CD1-CD1 4.47Å; I357-L379 HydrophobicContact CG1-CD1 3.92Å; I357-L379 HydrophobicContact CG1-CD2 4.29Å; I357-F381 PolarHBondContact N-O 3.36Å; I357-F381 VanDerWaalsContact N-O 3.09Å; I357-I382 HydrophobicContact CB-CD1 3.91Å; I357-I382 HydrophobicContact CG1-CD1 3.6Å; I357-D383 VanDerWaalsContact O-CB 3.32Å; I357-D383 WeakPolarHBondContact O-CB 3.08Å; I357-D383 PolarHBondContact O-N 3.26Å; I357-A386 HydrophobicContact CB-CB 4.28Å; I357-A386 HydrophobicContact CG2-CB 3.74Å
358	E	96.2	Very high	97.8	Very high	91 Å²	91	30.3 Å²	30.3	43%	0.425	17%	0.173	S	C	.	.			trans	-71.3	161.5	-177.5	-61.4	-178.1	174.3	0	0	113.1	D356 G360 A361 A386	D356-E358 WeakPolarHBondContact OD1-CG 3.3Å; E358-G360 PolarHBondContact O-N 2.93Å; E358-A361 WeakPolarHBondContact O-CB 3.16Å; E358-A361 PolarHBondContact O-N 2.66Å; E358-A386 WeakPolarHBondContact O-CA 3.48Å
359	N	96.9	Very high	97.8	Very high	101 Å²	101	34.1 Å²	34.1	54%	0.54	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	125.7	175.9	-174.1	-3	0	0	0	112.2	A361 D383 G385 N388	N359-A361 PolarHBondContact O-N 2.97Å; N359-D383 VanDerWaalsContact CB-OD1 3.28Å; N359-D383 WeakPolarHBondContact CB-OD1 3.45Å; N359-G385 WeakPolarHBondContact OD1-CA 3.26Å; N359-G385 PolarHBondContact OD1-O 3.04Å; N359-N388 PolarHBondContact OD1-ND2 3.29Å
360	G	96	Very high	97.8	Very high	12 Å²	12	34.6 Å²	34.6	12%	0.124	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	20.4	175.2	0	0	0	0	0	114.1	S335 E358 F362 A363 G385	S335-G360 WeakPolarHBondContact CB-O 3.41Å; E358-G360 PolarHBondContact O-N 2.93Å; G360-F362 PolarHBondContact O-N 2.91Å; G360-A363 WeakPolarHBondContact O-CB 3.25Å; G360-A363 PolarHBondContact O-N 2.85Å; G360-G385 PolarHBondContact N-O 3.33Å
361	A	97.7	Very high	97.8	Very high	3 Å²	3	34.6 Å²	34.6	3%	0.025	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-29.6	178.6	0	0	0	0	0	113.5	I333 R334 S335 I357 E358 N359	I333-A361 HydrophobicContact CG2-CB 4.25Å; R334-A361 CarbonylContact C-O 3.27Å; S335-A361 WeakPolarHBondContact CA-O 2.95Å; S335-A361 PolarHBondContact N-O 3.01Å; S335-A361 VanDerWaalsContact N-O 3.13Å; I357-A361 HydrophobicContact CG2-CB 3.84Å; E358-A361 WeakPolarHBondContact O-CB 3.16Å; E358-A361 PolarHBondContact O-N 2.66Å; N359-A361 PolarHBondContact O-N 2.97Å
362	F	98.1	Very high	97.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	16.4	-177.6	-49.3	-71.6	0	0	0	114.4	I333 F338 L347 L349 I357 G360 S364 L365 L371 L373 F387 L390	I333-F362 HydrophobicContact CG2-CD1 4.25Å; I333-F362 HydrophobicContact CG2-CE1 3.87Å; F338-F362 HydrophobicContact CE2-CD1 4.22Å; F338-F362 HydrophobicContact CE2-CE1 4.41Å; L347-F362 HydrophobicContact CD2-CD1 4.12Å; L347-F362 HydrophobicContact CD2-CE1 4.16Å; L349-F362 HydrophobicContact CD1-CE1 3.72Å; L349-F362 HydrophobicContact CD1-CZ 4.21Å; I357-F362 HydrophobicContact CG2-CE2 3.66Å; I357-F362 HydrophobicContact CG2-CZ 4.24Å; G360-F362 PolarHBondContact O-N 2.91Å; F362-S364 PolarHBondContact O-N 2.81Å; F362-L365 HydrophobicContact CB-CD1 4.28Å; F362-L365 HydrophobicContact CD1-CD1 4.27Å; F362-L365 WeakPolarHBondContact O-CB 3.39Å; F362-L365 PolarHBondContact O-N 2.87Å; F362-L371 HydrophobicContact CD2-CD2 3.94Å; F362-L371 HydrophobicContact CE1-CD1 4.17Å; F362-L371 HydrophobicContact CE2-CD2 3.77Å; F362-L371 HydrophobicContact CG-CD2 4.4Å; F362-L371 HydrophobicContact CZ-CD1 4.24Å; F362-L371 HydrophobicContact CZ-CD2 4.1Å; F362-L373 HydrophobicContact CE2-CD1 4.43Å; F362-L373 HydrophobicContact CZ-CD1 4.33Å; F362-L373 HydrophobicContact CZ-CD2 4.48Å; F362-F387 HydrophobicContact CD2-CD1 4.28Å; F362-F387 HydrophobicContact CE2-CD1 4.4Å; F362-F387 HydrophobicContact CE2-CE1 4.35Å; F362-L390 HydrophobicContact CB-CD1 3.89Å; F362-L390 HydrophobicContact CB-CD2 3.73Å; F362-L390 HydrophobicContact CB-CG 3.98Å; F362-L390 HydrophobicContact CD2-CD1 4.17Å; F362-L390 HydrophobicContact CG-CD1 4.29Å; F362-L390 WeakPolarHBondContact O-CD2 3.41Å
363	A	97.5	Very high	97.8	Very high	47 Å²	47	32.7 Å²	32.7	39%	0.388	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.2	-171.1	0	0	0	0	0	115	G360 L365 N388	G360-A363 WeakPolarHBondContact O-CB 3.25Å; G360-A363 PolarHBondContact O-N 2.85Å; A363-L365 VanDerWaalsContact C-N 3.3Å; A363-L365 PolarHBondContact O-N 2.67Å; A363-N388 VanDerWaalsContact CA-O 3.23Å; A363-N388 WeakPolarHBondContact CA-O 3.3Å
364	S	97	Very high	97.8	Very high	18 Å²	18	29.7 Å²	29.7	13%	0.126	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	7.2	176.8	51.5	0	0	0	0	114.4	S335 F362 P366	S335-S364 WeakPolarHBondContact O-CB 3.06Å; S335-S364 PolarHBondContact O-OG 3.07Å; S335-S364 WeakPolarHBondContact OG-CB 3.13Å; S335-S364 PolarHBondContact OG-N 2.63Å; S335-S364 VanDerWaalsContact OG-N 3.08Å; S335-S364 PolarHBondContact OG-OG 2.7Å; F362-S364 PolarHBondContact O-N 2.81Å; S364-P366 WeakPolarHBondContact O-CD 3.33Å
365	L	98.3	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.176	C	C	.	.			trans	-114.9	64.5	-176	-61.6	178.7	0	0	0	113	F338 L341 L344 L347 F362 A363 A367 L368 L390	F338-L365 HydrophobicContact CB-CD1 4.38Å; F338-L365 HydrophobicContact CB-CD2 3.76Å; F338-L365 HydrophobicContact CB-CG 4.08Å; F338-L365 HydrophobicContact CD2-CD1 4.07Å; F338-L365 HydrophobicContact CG-CD1 4.27Å; F338-L365 HydrophobicContact CG-CD2 4.39Å; L341-L365 HydrophobicContact CB-CD2 3.72Å; L341-L365 HydrophobicContact CD1-CD2 4.35Å; L344-L365 HydrophobicContact CB-CD2 4.24Å; L344-L365 HydrophobicContact CD2-CD1 4.19Å; L344-L365 HydrophobicContact CD2-CD2 3.66Å; L347-L365 HydrophobicContact CD2-CD1 3.64Å; F362-L365 HydrophobicContact CB-CD1 4.28Å; F362-L365 HydrophobicContact CD1-CD1 4.27Å; F362-L365 WeakPolarHBondContact O-CB 3.39Å; F362-L365 PolarHBondContact O-N 2.87Å; A363-L365 VanDerWaalsContact C-N 3.3Å; A363-L365 PolarHBondContact O-N 2.67Å; L365-A367 VanDerWaalsContact C-N 3.26Å; L365-A367 PolarHBondContact O-N 3.22Å; L365-L368 HydrophobicContact CB-CB 4.03Å; L365-L368 HydrophobicContact CB-CD2 4.44Å; L365-L368 HydrophobicContact CD1-CD2 4.08Å; L365-L368 WeakPolarHBondContact O-CB 3.16Å; L365-L368 PolarHBondContact O-N 2.83Å; L365-L390 HydrophobicContact CB-CD2 3.99Å; L365-L390 WeakPolarHBondContact O-CD2 3.34Å
366	P	97	Very high	97.9	Very high	58 Å²	58	27.6 Å²	27.6	38%	0.377	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-19	-170.5	29.1	-37.6	0	0	0	114.7	S364 E392	S364-P366 WeakPolarHBondContact O-CD 3.33Å; P366-E392 WeakPolarHBondContact O-CG 3.48Å
367	A	98.3	Very high	97.8	Very high	29 Å²	29	32.8 Å²	32.8	24%	0.24	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	2.9	-178.9	0	0	0	0	0	113.6	N342 L344 L365 K369	N342-A367 WeakPolarHBondContact O-CB 3.28Å; L344-A367 CarbonylContact O-C 3.35Å; L365-A367 VanDerWaalsContact C-N 3.26Å; L365-A367 PolarHBondContact O-N 3.22Å; A367-K369 PolarHBondContact O-N 3.01Å
368	L	98.7	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.			trans	-67	129	-174.1	-165.2	73.4	0	0	0	110.4	L344 L347 L365 L371 L390 E392 L393	L344-L368 HydrophobicContact CD2-CD1 4.05Å; L344-L368 HydrophobicContact CG-CD1 4.14Å; L344-L368 VanDerWaalsContact O-CA 3.28Å; L344-L368 WeakPolarHBondContact O-CA 3.4Å; L344-L368 PolarHBondContact O-N 3.09Å; L344-L368 VanDerWaalsContact O-N 3.16Å; L347-L368 HydrophobicContact CB-CD1 3.76Å; L347-L368 HydrophobicContact CB-CD2 4.36Å; L365-L368 HydrophobicContact CB-CB 4.03Å; L365-L368 HydrophobicContact CB-CD2 4.44Å; L365-L368 HydrophobicContact CD1-CD2 4.08Å; L365-L368 WeakPolarHBondContact O-CB 3.16Å; L365-L368 PolarHBondContact O-N 2.83Å; L368-L371 HydrophobicContact CD2-CB 4.07Å; L368-L371 HydrophobicContact CD2-CD1 4.32Å; L368-L390 HydrophobicContact CB-CD2 4.04Å; L368-L390 HydrophobicContact CD2-CD1 4.37Å; L368-L390 HydrophobicContact CD2-CD2 3.86Å; L368-E392 CarbonylContact O-C 3.11Å; L368-L393 HydrophobicContact CD2-CD1 4.28Å; L368-L393 HydrophobicContact CG-CD1 4.37Å; L368-L393 VanDerWaalsContact O-CA 3.32Å; L368-L393 WeakPolarHBondContact O-CA 3.46Å; L368-L393 PolarHBondContact O-N 3.37Å; L368-L393 VanDerWaalsContact O-N 3.15Å
369	K	98.8	Very high	97.9	Very high	99 Å²	99	33.2 Å²	33.2	43%	0.43	17%	0.173	S	C	.	.			trans	-111.1	-29.6	178.7	-62.7	-168.9	175	-169.3	0	112.2	R345 A367 D394 R395	R345-K369 WeakPolarHBondContact O-CA 3.24Å; R345-K369 PolarHBondContact O-N 2.63Å; A367-K369 PolarHBondContact O-N 3.01Å; K369-D394 HydrophobicContact CB-CB 4.26Å; K369-D394 CarbonylContact O-C 2.97Å; K369-D394 WeakPolarHBondContact O-CA 3.21Å; K369-D394 WeakPolarHBondContact O-CB 3.45Å; K369-D394 PolarHBondContact O-N 2.81Å; K369-R395 PolarHBondContact O-N 2.98Å
370	D	98.9	Very high	97.8	Very high	10 Å²	10	32 Å²	32	5%	0.053	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	119.6	-175.1	-164.4	-15.9	0	0	0	110.7	R345 A346 L347 Q372 R395	R345-D370 PolarHBondContact O-N 2.74Å; A346-D370 WeakPolarHBondContact CA-O 3.27Å; A346-D370 HydrophobicContact CB-CB 4.03Å; L347-D370 PolarHBondContact N-O 3.32Å; D370-Q372 PolarHBondContact OD1-NE2 3.42Å; D370-R395 IonicContact OD2-CZ 2.82Å; D370-R395 IonicContact OD2-NE 3.74Å; D370-R395 PolarHBondContact OD2-NE 2.82Å; D370-R395 IonicContact OD2-NH2 2.61Å; D370-R395 PolarHBondContact OD2-NH2 2.71Å
371	L	98.8	Very high	97.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	112.9	175.7	-179.5	57.4	0	0	0	109.8	L347 L349 F362 L368 L373 F387 L390 L393 R395 L396 N397	L347-L371 HydrophobicContact CB-CD1 4.23Å; L347-L371 HydrophobicContact CD2-CD1 4.14Å; L347-L371 HydrophobicContact CG-CD1 4.2Å; L349-L371 HydrophobicContact CD1-CD1 4.35Å; F362-L371 HydrophobicContact CD2-CD2 3.94Å; F362-L371 HydrophobicContact CE1-CD1 4.17Å; F362-L371 HydrophobicContact CE2-CD2 3.77Å; F362-L371 HydrophobicContact CG-CD2 4.4Å; F362-L371 HydrophobicContact CZ-CD1 4.24Å; F362-L371 HydrophobicContact CZ-CD2 4.1Å; L368-L371 HydrophobicContact CD2-CB 4.07Å; L368-L371 HydrophobicContact CD2-CD1 4.32Å; L371-L373 HydrophobicContact CD1-CG 4.37Å; L371-L373 HydrophobicContact CD2-CD1 4.11Å; L371-L373 HydrophobicContact CG-CD1 4.19Å; L371-L373 HydrophobicContact CG-CG 4.28Å; L371-F387 HydrophobicContact CD2-CD1 4.12Å; L371-F387 HydrophobicContact CD2-CE1 4.04Å; L371-L390 HydrophobicContact CD2-CD1 3.92Å; L371-L393 HydrophobicContact CB-CD1 3.8Å; L371-R395 PolarHBondContact N-O 2.67Å; L371-L396 HydrophobicContact CB-CD1 4.13Å; L371-L396 HydrophobicContact CD2-CD1 3.96Å; L371-L396 HydrophobicContact CG-CD1 4.04Å; L371-N397 PolarHBondContact O-N 3.37Å
372	Q	98.8	Very high	97.8	Very high	22 Å²	22	37.6 Å²	37.6	10%	0.103	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.9	177	-56.4	-69.4	-47.7	0	0	110.1	L347 H348 L349 G350 D370 N397	L347-Q372 PolarHBondContact O-N 2.97Å; H348-Q372 HydrophobicContact CB-CB 4.47Å; L349-Q372 CarbonylContact C-O 3.26Å; L349-Q372 VanDerWaalsContact CA-O 3.3Å; L349-Q372 WeakPolarHBondContact CA-O 3.4Å; L349-Q372 WeakPolarHBondContact CB-O 3.17Å; L349-Q372 PolarHBondContact N-O 3.31Å; G350-Q372 PolarHBondContact N-O 3.3Å; D370-Q372 PolarHBondContact OD1-NE2 3.42Å; Q372-N397 PolarHBondContact OE1-ND2 2.82Å
373	L	98.5	Very high	97.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.			trans	-120.4	17.7	175	-74.7	165.8	0	0	0	111.3	L349 F354 I357 F362 L371 N376 F387 N397 L398	L349-L373 HydrophobicContact CB-CD2 3.85Å; L349-L373 HydrophobicContact CD1-CD2 4.21Å; F354-L373 HydrophobicContact CD2-CD2 4.39Å; F354-L373 HydrophobicContact CE2-CD2 4.34Å; I357-L373 HydrophobicContact CD1-CD1 4.46Å; I357-L373 HydrophobicContact CD1-CD2 4.11Å; I357-L373 HydrophobicContact CG1-CD1 4.41Å; F362-L373 HydrophobicContact CE2-CD1 4.43Å; F362-L373 HydrophobicContact CZ-CD1 4.33Å; F362-L373 HydrophobicContact CZ-CD2 4.48Å; L371-L373 HydrophobicContact CD1-CG 4.37Å; L371-L373 HydrophobicContact CD2-CD1 4.11Å; L371-L373 HydrophobicContact CG-CD1 4.19Å; L371-L373 HydrophobicContact CG-CG 4.28Å; L373-N376 VanDerWaalsContact C-ND2 3.3Å; L373-N376 PolarHBondContact O-ND2 3.19Å; L373-F387 HydrophobicContact CD1-CE1 4.34Å; L373-N397 CarbonylContact C-O 3.55Å; L373-N397 WeakPolarHBondContact CA-O 3.48Å; L373-N397 PolarHBondContact N-O 2.95Å; L373-L398 HydrophobicContact CB-CD2 3.83Å; L373-L398 HydrophobicContact CD1-CD2 3.89Å
374	N	98.4	Very high	97.6	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.011	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	154.5	-177.1	61.1	-47.1	0	0	0	112.8	G350 W351 N376 N397 S399	G350-N374 CarbonylContact C-O 3.51Å; G350-N374 WeakPolarHBondContact CA-O 3.26Å; W351-N374 PolarHBondContact N-O 2.7Å; N374-N376 PolarHBondContact O-N 3.08Å; N374-N376 VanDerWaalsContact O-N 3.17Å; N374-N397 PolarHBondContact N-O 2.96Å; N374-S399 CarbonylContact C-O 3.36Å; N374-S399 WeakPolarHBondContact CA-O 3.37Å; N374-S399 WeakPolarHBondContact CB-OG 3.46Å
375	N	98.2	Very high	97.5	Very high	22 Å²	22	42.9 Å²	42.9	12%	0.118	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	23.2	177.7	-63.9	-84.8	0	0	0	114.8	W351 R377 S399 S400	W351-N375 HydrophobicContact CD2-CB 3.62Å; W351-N375 VanDerWaalsContact CE2-CG 3.45Å; W351-N375 HydrophobicContact CE3-CB 4.2Å; W351-N375 HydrophobicContact CG-CB 3.82Å; W351-N375 HydrophobicContact CZ2-CB 4.03Å; W351-N375 WeakPolarHBondContact CZ2-OD1 3.49Å; W351-N375 PolarHBondContact NE1-ND2 3.32Å; N375-R377 PolarHBondContact O-N 3.39Å; N375-S399 PolarHBondContact N-O 2.73Å; N375-S400 WeakPolarHBondContact CA-O 3.2Å
376	N	98.1	Very high	97.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.203	C	C	.	.			trans	-84.8	89.5	167.4	-75.1	-58.1	0	0	0	109.8	L349 N352 F354 L373 N374 K378 L379 T401	L349-N376 PolarHBondContact O-ND2 2.98Å; N352-N376 WeakPolarHBondContact CA-OD1 3.36Å; N352-N376 VanDerWaalsContact CB-OD1 3.24Å; N352-N376 WeakPolarHBondContact CB-OD1 3.47Å; N352-N376 PolarHBondContact N-OD1 3.49Å; N352-N376 PolarHBondContact O-OD1 2.8Å; N352-N376 VanDerWaalsContact O-OD1 3.07Å; F354-N376 HydrophobicContact CB-CB 4.46Å; F354-N376 WeakPolarHBondContact CD2-OD1 3.38Å; L373-N376 VanDerWaalsContact C-ND2 3.3Å; L373-N376 PolarHBondContact O-ND2 3.19Å; N374-N376 PolarHBondContact O-N 3.08Å; N374-N376 VanDerWaalsContact O-N 3.17Å; N376-K378 PolarHBondContact O-N 3.29Å; N376-L379 HydrophobicContact CB-CB 3.81Å; N376-L379 HydrophobicContact CB-CD2 4.19Å; N376-L379 WeakPolarHBondContact O-CB 3.39Å; N376-L379 PolarHBondContact O-N 3.47Å; N376-L379 VanDerWaalsContact O-N 3.12Å; N376-T401 HydrophobicContact CB-CG2 4.31Å
377	R	95.8	Very high	97.5	Very high	169 Å²	169	40.1 Å²	40.1	64%	0.638	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.6	-168.1	-63.5	-176.2	-175.3	164.3	4.5	115.2	N375 K402	N375-R377 PolarHBondContact O-N 3.39Å; R377-K402 WeakPolarHBondContact O-CG 3.23Å
378	K	97.3	Very high	97.5	Very high	105 Å²	105	41 Å²	41	46%	0.457	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-7	174.7	-67.4	177.5	177.9	169.1	0	112.3	E353 F354 V355 N376 M380	E353-K378 WeakPolarHBondContact OE2-CD 3.21Å; E353-K378 WeakPolarHBondContact OE2-CE 3.24Å; E353-K378 IonicContact OE2-NZ 2.63Å; E353-K378 PolarHBondContact OE2-NZ 3.46Å; F354-K378 CarbonylContact O-C 3.4Å; F354-K378 VanDerWaalsContact O-CB 3.31Å; F354-K378 WeakPolarHBondContact O-CB 3.49Å; V355-K378 WeakPolarHBondContact CA-O 3.23Å; V355-K378 HydrophobicContact CG2-CB 4.24Å; N376-K378 PolarHBondContact O-N 3.29Å; K378-M380 WeakPolarHBondContact O-CG 3.49Å; K378-M380 PolarHBondContact O-N 3.5Å; K378-M380 VanDerWaalsContact O-N 3.09Å
379	L	97.9	Very high	97.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.201	C	C	.	.			trans	-75.5	104	-171.6	176.5	54.2	0	0	0	109.8	F354 V355 I357 N376 F381 I382 L398 T401 K402 V403	F354-L379 HydrophobicContact CB-CB 4.39Å; F354-L379 HydrophobicContact CB-CD1 4.37Å; F354-L379 WeakPolarHBondContact O-CA 3.27Å; F354-L379 PolarHBondContact O-N 3.11Å; V355-L379 WeakPolarHBondContact O-CA 3.14Å; I357-L379 HydrophobicContact CD1-CD1 4.47Å; I357-L379 HydrophobicContact CG1-CD1 3.92Å; I357-L379 HydrophobicContact CG1-CD2 4.29Å; N376-L379 HydrophobicContact CB-CB 3.81Å; N376-L379 HydrophobicContact CB-CD2 4.19Å; N376-L379 WeakPolarHBondContact O-CB 3.39Å; N376-L379 PolarHBondContact O-N 3.47Å; N376-L379 VanDerWaalsContact O-N 3.12Å; L379-F381 WeakPolarHBondContact CD1-O 3.33Å; L379-I382 HydrophobicContact CD1-CD1 3.91Å; L379-I382 HydrophobicContact CD2-CD1 4.05Å; L379-I382 HydrophobicContact CG-CD1 4.2Å; L379-L398 HydrophobicContact CD2-CD2 4.2Å; L379-T401 HydrophobicContact CB-CG2 4.4Å; L379-T401 HydrophobicContact CD2-CG2 4.04Å; L379-K402 CarbonylContact O-C 3.01Å; L379-K402 WeakPolarHBondContact O-CA 3.33Å; L379-K402 WeakPolarHBondContact O-CB 3.45Å; L379-K402 PolarHBondContact O-N 2.86Å; L379-V403 HydrophobicContact CG-CG2 4.11Å; L379-V403 PolarHBondContact O-N 3.17Å
380	M	96.3	Very high	97.2	Very high	77 Å²	77	37.7 Å²	37.7	38%	0.379	18%	0.18	S	C	.	.			trans	-106.9	-29.5	-174.5	-70.2	-179.3	68.9	0	0	113.3	V355 K378 K402 L404	V355-M380 PolarHBondContact O-N 2.96Å; K378-M380 WeakPolarHBondContact O-CG 3.49Å; K378-M380 PolarHBondContact O-N 3.5Å; K378-M380 VanDerWaalsContact O-N 3.09Å; M380-K402 HydrophobicContact CG-CB 3.88Å; M380-L404 HydrophobicContact CE-CD1 4.48Å
381	F	95.4	Very high	97.1	Very high	119 Å²	119	40.5 Å²	40.5	52%	0.522	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.7	-171.2	-55.8	-75.5	0	0	0	111.8	V355 D356 I357 L379	V355-F381 PolarHBondContact O-N 3.37Å; D356-F381 WeakPolarHBondContact CA-O 3.25Å; D356-F381 HydrophobicContact CB-CB 4.03Å; I357-F381 PolarHBondContact N-O 3.36Å; I357-F381 VanDerWaalsContact N-O 3.09Å; L379-F381 WeakPolarHBondContact CD1-O 3.33Å
382	I	96.8	Very high	97.1	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.062	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	117.5	171.9	-57	-66.1	0	0	0	106.4	I357 L379 A386 F387 L398 V403 L406 T410	I357-I382 HydrophobicContact CB-CD1 3.91Å; I357-I382 HydrophobicContact CG1-CD1 3.6Å; L379-I382 HydrophobicContact CD1-CD1 3.91Å; L379-I382 HydrophobicContact CD2-CD1 4.05Å; L379-I382 HydrophobicContact CG-CD1 4.2Å; I382-A386 HydrophobicContact CG2-CB 3.66Å; I382-F387 HydrophobicContact CG2-CE2 3.71Å; I382-F387 HydrophobicContact CG2-CZ 3.84Å; I382-L398 HydrophobicContact CD1-CD2 4.16Å; I382-V403 HydrophobicContact CD1-CG2 4.37Å; I382-V403 HydrophobicContact CG1-CG1 4.4Å; I382-V403 HydrophobicContact CG1-CG2 3.92Å; I382-L406 HydrophobicContact CB-CD2 4.38Å; I382-L406 HydrophobicContact CG1-CD2 4.36Å; I382-T410 HydrophobicContact CG2-CG2 4.1Å
383	D	96.1	Very high	97.1	Very high	66 Å²	66	42.6 Å²	42.6	35%	0.353	21%	0.207	S	C	.	.			trans	-62.7	149.7	176.7	-172.9	-87.2	0	0	0	111.3	I357 N359 G385 A386	I357-D383 VanDerWaalsContact O-CB 3.32Å; I357-D383 WeakPolarHBondContact O-CB 3.08Å; I357-D383 PolarHBondContact O-N 3.26Å; N359-D383 VanDerWaalsContact CB-OD1 3.28Å; N359-D383 WeakPolarHBondContact CB-OD1 3.45Å; D383-G385 PolarHBondContact O-N 3.35Å; D383-G385 VanDerWaalsContact O-N 3.16Å; D383-G385 WeakPolarHBondContact OD1-CA 3.36Å; D383-G385 PolarHBondContact OD1-N 2.97Å; D383-A386 HydrophobicContact CB-CB 4.33Å; D383-A386 WeakPolarHBondContact O-CB 3.43Å; D383-A386 PolarHBondContact O-N 2.98Å
384	E	95.5	Very high	97.1	Very high	107 Å²	107	45.3 Å²	45.3	50%	0.5	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.3	178.4	65.3	170.7	-176.2	0	0	112.8	E407 T410	E384-E407 HydrophobicContact CB-CB 3.99Å; E384-E407 HydrophobicContact CB-CG 4.35Å; E384-T410 WeakPolarHBondContact O-CA 3.34Å
385	G	96.2	Very high	97.1	Very high	3 Å²	3	50.8 Å²	50.8	3%	0.031	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	8.4	177.7	0	0	0	0	0	114.4	N359 G360 D383 F387 N388	N359-G385 WeakPolarHBondContact OD1-CA 3.26Å; N359-G385 PolarHBondContact OD1-O 3.04Å; G360-G385 PolarHBondContact N-O 3.33Å; D383-G385 PolarHBondContact O-N 3.35Å; D383-G385 VanDerWaalsContact O-N 3.16Å; D383-G385 WeakPolarHBondContact OD1-CA 3.36Å; D383-G385 PolarHBondContact OD1-N 2.97Å; G385-F387 PolarHBondContact O-N 3.07Å; G385-F387 VanDerWaalsContact O-N 3.14Å; G385-N388 WeakPolarHBondContact CA-ND2 3.34Å; G385-N388 VanDerWaalsContact O-CB 3.23Å; G385-N388 WeakPolarHBondContact O-CB 3.41Å; G385-N388 PolarHBondContact O-N 2.94Å; G385-N388 PolarHBondContact O-ND2 2.93Å
386	A	97.5	Very high	97.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-39.9	-174.8	0	0	0	0	0	113.7	I357 E358 I382 D383	I357-A386 HydrophobicContact CB-CB 4.28Å; I357-A386 HydrophobicContact CG2-CB 3.74Å; E358-A386 WeakPolarHBondContact O-CA 3.48Å; I382-A386 HydrophobicContact CG2-CB 3.66Å; D383-A386 HydrophobicContact CB-CB 4.33Å; D383-A386 WeakPolarHBondContact O-CB 3.43Å; D383-A386 PolarHBondContact O-N 2.98Å
387	F	97.7	Very high	97.2	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	15.7	-176.7	-51	-58.6	0	0	0	113.7	F362 L371 L373 I382 G385 G389 L390 L396 L398 T410 F411 T414	F362-F387 HydrophobicContact CD2-CD1 4.28Å; F362-F387 HydrophobicContact CE2-CD1 4.4Å; F362-F387 HydrophobicContact CE2-CE1 4.35Å; L371-F387 HydrophobicContact CD2-CD1 4.12Å; L371-F387 HydrophobicContact CD2-CE1 4.04Å; L373-F387 HydrophobicContact CD1-CE1 4.34Å; I382-F387 HydrophobicContact CG2-CE2 3.71Å; I382-F387 HydrophobicContact CG2-CZ 3.84Å; G385-F387 PolarHBondContact O-N 3.07Å; G385-F387 VanDerWaalsContact O-N 3.14Å; F387-G389 PolarHBondContact O-N 3.23Å; F387-L390 HydrophobicContact CB-CD1 4.12Å; F387-L390 HydrophobicContact CD1-CD1 4.08Å; F387-L390 WeakPolarHBondContact O-CB 3.47Å; F387-L390 PolarHBondContact O-N 3.2Å; F387-L396 HydrophobicContact CD2-CD2 4.39Å; F387-L396 HydrophobicContact CE1-CD1 4.03Å; F387-L396 HydrophobicContact CE1-CD2 4.16Å; F387-L396 HydrophobicContact CE2-CD2 3.86Å; F387-L396 HydrophobicContact CZ-CD1 4.23Å; F387-L396 HydrophobicContact CZ-CD2 3.74Å; F387-L398 HydrophobicContact CZ-CD1 4.31Å; F387-T410 HydrophobicContact CD2-CG2 3.75Å; F387-T410 HydrophobicContact CE2-CG2 3.6Å; F387-F411 HydrophobicContact CD2-CD1 4.37Å; F387-F411 HydrophobicContact CD2-CE1 4.26Å; F387-F411 HydrophobicContact CE2-CE1 4.08Å; F387-T414 HydrophobicContact CB-CG2 3.79Å
388	N	96.9	Very high	97.3	Very high	47 Å²	47	42.8 Å²	42.8	25%	0.251	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	134.7	175.1	-73.9	-16.9	0	0	0	110.8	N359 A363 G385 N413	N359-N388 PolarHBondContact OD1-ND2 3.29Å; A363-N388 VanDerWaalsContact CA-O 3.23Å; A363-N388 WeakPolarHBondContact CA-O 3.3Å; G385-N388 WeakPolarHBondContact CA-ND2 3.34Å; G385-N388 VanDerWaalsContact O-CB 3.23Å; G385-N388 WeakPolarHBondContact O-CB 3.41Å; G385-N388 PolarHBondContact O-N 2.94Å; G385-N388 PolarHBondContact O-ND2 2.93Å; N388-N413 PolarHBondContact OD1-ND2 3.02Å
389	G	94.8	Very high	97.3	Very high	29 Å²	29	38.3 Å²	38.3	30%	0.299	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	91	-12.7	-178.4	0	0	0	0	0	115.2	F387 T391	F387-G389 PolarHBondContact O-N 3.23Å; G389-T391 PolarHBondContact O-N 3.21Å
390	L	97.8	Very high	97.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.			trans	-85	53.2	-178.3	-59.7	-173.5	0	0	0	113.1	F362 L365 L368 L371 F387 E392 L393 T414	F362-L390 HydrophobicContact CB-CD1 3.89Å; F362-L390 HydrophobicContact CB-CD2 3.73Å; F362-L390 HydrophobicContact CB-CG 3.98Å; F362-L390 HydrophobicContact CD2-CD1 4.17Å; F362-L390 HydrophobicContact CG-CD1 4.29Å; F362-L390 WeakPolarHBondContact O-CD2 3.41Å; L365-L390 HydrophobicContact CB-CD2 3.99Å; L365-L390 WeakPolarHBondContact O-CD2 3.34Å; L368-L390 HydrophobicContact CB-CD2 4.04Å; L368-L390 HydrophobicContact CD2-CD1 4.37Å; L368-L390 HydrophobicContact CD2-CD2 3.86Å; L371-L390 HydrophobicContact CD2-CD1 3.92Å; F387-L390 HydrophobicContact CB-CD1 4.12Å; F387-L390 HydrophobicContact CD1-CD1 4.08Å; F387-L390 WeakPolarHBondContact O-CB 3.47Å; F387-L390 PolarHBondContact O-N 3.2Å; L390-E392 PolarHBondContact O-N 2.77Å; L390-L393 HydrophobicContact CB-CB 4.06Å; L390-L393 HydrophobicContact CB-CD2 4.38Å; L390-L393 HydrophobicContact CD1-CD1 4.46Å; L390-L393 HydrophobicContact CD1-CD2 4.02Å; L390-L393 WeakPolarHBondContact O-CB 3.23Å; L390-L393 PolarHBondContact O-N 2.77Å; L390-L393 VanDerWaalsContact O-N 3.14Å; L390-T414 HydrophobicContact CB-CG2 3.94Å
391	T	96.4	Very high	97.4	Very high	69 Å²	69	36 Å²	36	42%	0.423	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-20.3	-172	54.7	0	0	0	0	114.5	G389 K416	G389-T391 PolarHBondContact O-N 3.21Å; T391-K416 WeakPolarHBondContact O-CD 3.34Å
392	E	98.1	Very high	97.5	Very high	66 Å²	66	34.2 Å²	34.2	31%	0.308	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	4.8	177.6	-64.9	-59.5	132.9	0	0	114	P366 L368 L390 D394 K416	P366-E392 WeakPolarHBondContact O-CG 3.48Å; L368-E392 CarbonylContact O-C 3.11Å; L390-E392 PolarHBondContact O-N 2.77Å; E392-D394 PolarHBondContact O-N 2.63Å; E392-K416 IonicContact OE1-NZ 3.13Å; E392-K416 PolarHBondContact OE1-NZ 3.17Å; E392-K416 IonicContact OE2-NZ 2.67Å; E392-K416 PolarHBondContact OE2-NZ 3.01Å
393	L	98.7	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.			trans	-63.1	123.1	-174.9	-164.6	68.8	0	0	0	111.1	L368 L371 L390 L396 T414 K416 L417	L368-L393 HydrophobicContact CD2-CD1 4.28Å; L368-L393 HydrophobicContact CG-CD1 4.37Å; L368-L393 VanDerWaalsContact O-CA 3.32Å; L368-L393 WeakPolarHBondContact O-CA 3.46Å; L368-L393 PolarHBondContact O-N 3.37Å; L368-L393 VanDerWaalsContact O-N 3.15Å; L371-L393 HydrophobicContact CB-CD1 3.8Å; L390-L393 HydrophobicContact CB-CB 4.06Å; L390-L393 HydrophobicContact CB-CD2 4.38Å; L390-L393 HydrophobicContact CD1-CD1 4.46Å; L390-L393 HydrophobicContact CD1-CD2 4.02Å; L390-L393 WeakPolarHBondContact O-CB 3.23Å; L390-L393 PolarHBondContact O-N 2.77Å; L390-L393 VanDerWaalsContact O-N 3.14Å; L393-L396 HydrophobicContact CD2-CB 4.21Å; L393-T414 HydrophobicContact CB-CG2 4.2Å; L393-T414 HydrophobicContact CD2-CG2 3.95Å; L393-K416 CarbonylContact O-C 3.14Å; L393-L417 HydrophobicContact CB-CD1 4.47Å; L393-L417 HydrophobicContact CD2-CD1 3.96Å; L393-L417 HydrophobicContact CG-CD1 3.88Å; L393-L417 VanDerWaalsContact O-CA 3.29Å; L393-L417 WeakPolarHBondContact O-CA 3.22Å; L393-L417 PolarHBondContact O-N 3.34Å; L393-L417 VanDerWaalsContact O-N 3.11Å
394	D	98.8	Very high	97.2	Very high	58 Å²	58	33.7 Å²	33.7	31%	0.31	18%	0.175	S	C	.	.			trans	-105.9	-38.5	-178.1	177.5	60.3	0	0	0	110.9	K369 E392 S418 T419	K369-D394 HydrophobicContact CB-CB 4.26Å; K369-D394 CarbonylContact O-C 2.97Å; K369-D394 WeakPolarHBondContact O-CA 3.21Å; K369-D394 WeakPolarHBondContact O-CB 3.45Å; K369-D394 PolarHBondContact O-N 2.81Å; E392-D394 PolarHBondContact O-N 2.63Å; D394-S418 VanDerWaalsContact CG-OG 3.23Å; D394-S418 PolarHBondContact O-N 3.08Å; D394-S418 PolarHBondContact O-OG 3.18Å; D394-S418 VanDerWaalsContact O-OG 3.12Å; D394-S418 WeakPolarHBondContact OD1-CB 3.34Å; D394-S418 PolarHBondContact OD1-OG 3.11Å; D394-T419 PolarHBondContact O-N 3.08Å
395	R	98.9	Very high	97.1	Very high	116 Å²	116	30.3 Å²	30.3	44%	0.438	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.2	-177.8	-53.6	-169.4	-69.3	-141.2	-2.9	111.2	K369 D370 L371 T419	K369-R395 PolarHBondContact O-N 2.98Å; D370-R395 IonicContact OD2-CZ 2.82Å; D370-R395 IonicContact OD2-NE 3.74Å; D370-R395 PolarHBondContact OD2-NE 2.82Å; D370-R395 IonicContact OD2-NH2 2.61Å; D370-R395 PolarHBondContact OD2-NH2 2.71Å; L371-R395 PolarHBondContact N-O 2.67Å; R395-T419 WeakPolarHBondContact CA-O 3.3Å
396	L	98.8	Very high	97	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	119.6	173.1	177.2	60.2	0	0	0	109.4	L371 F387 L393 L398 F411 L417 T419 L420 D421	L371-L396 HydrophobicContact CB-CD1 4.13Å; L371-L396 HydrophobicContact CD2-CD1 3.96Å; L371-L396 HydrophobicContact CG-CD1 4.04Å; F387-L396 HydrophobicContact CD2-CD2 4.39Å; F387-L396 HydrophobicContact CE1-CD1 4.03Å; F387-L396 HydrophobicContact CE1-CD2 4.16Å; F387-L396 HydrophobicContact CE2-CD2 3.86Å; F387-L396 HydrophobicContact CZ-CD1 4.23Å; F387-L396 HydrophobicContact CZ-CD2 3.74Å; L393-L396 HydrophobicContact CD2-CB 4.21Å; L396-L398 HydrophobicContact CD1-CG 4.24Å; L396-L398 HydrophobicContact CD2-CD1 3.96Å; L396-L398 HydrophobicContact CG-CD1 4.16Å; L396-L398 HydrophobicContact CG-CG 4.2Å; L396-F411 HydrophobicContact CD2-CE1 3.72Å; L396-L417 HydrophobicContact CB-CD1 3.77Å; L396-L417 HydrophobicContact CB-CD2 4.27Å; L396-T419 PolarHBondContact N-O 2.9Å; L396-L420 HydrophobicContact CB-CD1 4.27Å; L396-L420 HydrophobicContact CD2-CD1 3.99Å; L396-L420 HydrophobicContact CG-CD1 4.19Å; L396-D421 PolarHBondContact O-N 3.39Å
397	N	98.8	Very high	96.8	Very high	21 Å²	21	34.1 Å²	34.1	11%	0.112	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	110.5	177.5	-170	-6.4	0	0	0	111	L371 Q372 L373 N374 S399	L371-N397 PolarHBondContact O-N 3.37Å; Q372-N397 PolarHBondContact OE1-ND2 2.82Å; L373-N397 CarbonylContact C-O 3.55Å; L373-N397 WeakPolarHBondContact CA-O 3.48Å; L373-N397 PolarHBondContact N-O 2.95Å; N374-N397 PolarHBondContact N-O 2.96Å; N397-S399 WeakPolarHBondContact OD1-CB 3.46Å; N397-S399 PolarHBondContact OD1-N 3.35Å; N397-S399 PolarHBondContact OD1-OG 2.94Å
398	L	98.3	Very high	96.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.			trans	-114.5	20	175.1	-72.3	164.9	0	0	0	111	L373 L379 I382 F387 L396 T401 D421 L422 S425	L373-L398 HydrophobicContact CB-CD2 3.83Å; L373-L398 HydrophobicContact CD1-CD2 3.89Å; L379-L398 HydrophobicContact CD2-CD2 4.2Å; I382-L398 HydrophobicContact CD1-CD2 4.16Å; F387-L398 HydrophobicContact CZ-CD1 4.31Å; L396-L398 HydrophobicContact CD1-CG 4.24Å; L396-L398 HydrophobicContact CD2-CD1 3.96Å; L396-L398 HydrophobicContact CG-CD1 4.16Å; L396-L398 HydrophobicContact CG-CG 4.2Å; L398-T401 WeakPolarHBondContact O-CB 3.5Å; L398-T401 WeakPolarHBondContact O-CG2 3.49Å; L398-T401 PolarHBondContact O-OG1 3.48Å; L398-D421 CarbonylContact C-O 3.39Å; L398-D421 WeakPolarHBondContact CA-O 3.43Å; L398-D421 PolarHBondContact N-O 2.84Å; L398-L422 HydrophobicContact CB-CD2 3.78Å; L398-L422 HydrophobicContact CD1-CD2 3.85Å; L398-L422 HydrophobicContact CG-CD2 4.49Å; L398-S425 PolarHBondContact O-OG 3.17Å
399	S	98.3	Very high	96.4	Very high	11 Å²	11	37.9 Å²	37.9	8%	0.077	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	150.1	-178.5	64.2	0	0	0	0	112.5	N374 N375 N397 T401 D421 S423	N374-S399 CarbonylContact C-O 3.36Å; N374-S399 WeakPolarHBondContact CA-O 3.37Å; N374-S399 WeakPolarHBondContact CB-OG 3.46Å; N375-S399 PolarHBondContact N-O 2.73Å; N397-S399 WeakPolarHBondContact OD1-CB 3.46Å; N397-S399 PolarHBondContact OD1-N 3.35Å; N397-S399 PolarHBondContact OD1-OG 2.94Å; S399-T401 VanDerWaalsContact C-N 3.27Å; S399-T401 PolarHBondContact O-N 2Å; S399-D421 PolarHBondContact N-O 3.04Å; S399-S423 CarbonylContact C-O 3.07Å; S399-S423 WeakPolarHBondContact CA-O 3.34Å; S399-S423 VanDerWaalsContact CB-O 3.24Å; S399-S423 WeakPolarHBondContact CB-O 3.49Å; S399-S423 WeakPolarHBondContact CB-OG 3.18Å
400	S	98	Very high	96.5	Very high	26 Å²	26	36.7 Å²	36.7	18%	0.182	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	39	179.6	-52.5	0	0	0	0	113.3	N375 S423 N424 S425	N375-S400 WeakPolarHBondContact CA-O 3.2Å; S400-S423 PolarHBondContact N-O 2.95Å; S400-N424 VanDerWaalsContact CA-O 3.3Å; S400-N424 WeakPolarHBondContact CA-O 3.42Å; S400-N424 PolarHBondContact OG-ND2 3.23Å; S400-S425 PolarHBondContact N-OG 2.88Å
401	T	98	Very high	96.4	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	19%	0.188	C	C	.	.			trans	-107.3	-178.5	173.1	61.4	0	0	0	0	110.7	N376 L379 L398 S399 S425	N376-T401 HydrophobicContact CB-CG2 4.31Å; L379-T401 HydrophobicContact CB-CG2 4.4Å; L379-T401 HydrophobicContact CD2-CG2 4.04Å; L398-T401 WeakPolarHBondContact O-CB 3.5Å; L398-T401 WeakPolarHBondContact O-CG2 3.49Å; L398-T401 PolarHBondContact O-OG1 3.48Å; S399-T401 VanDerWaalsContact C-N 3.27Å; S399-T401 PolarHBondContact O-N 2Å; T401-S425 PolarHBondContact N-OG 3.2Å; T401-S425 VanDerWaalsContact N-OG 3.16Å; T401-S425 VanDerWaalsContact O-CA 3.3Å; T401-S425 WeakPolarHBondContact O-CA 3.42Å; T401-S425 PolarHBondContact OG1-OG 3.1Å
402	K	96.3	Very high	96.4	Very high	82 Å²	82	39 Å²	39	36%	0.357	19%	0.194	S	C	.	.			trans	-110.1	19.4	176.4	-68.1	-60.1	-172.6	-178.7	0	113.2	R377 L379 M380 L404 D426	R377-K402 WeakPolarHBondContact O-CG 3.23Å; L379-K402 CarbonylContact O-C 3.01Å; L379-K402 WeakPolarHBondContact O-CA 3.33Å; L379-K402 WeakPolarHBondContact O-CB 3.45Å; L379-K402 PolarHBondContact O-N 2.86Å; M380-K402 HydrophobicContact CG-CB 3.88Å; K402-L404 PolarHBondContact O-N 2.71Å; K402-D426 WeakPolarHBondContact CD-OD2 3.33Å; K402-D426 IonicContact NZ-OD1 2.72Å; K402-D426 PolarHBondContact NZ-OD1 3.05Å; K402-D426 IonicContact NZ-OD2 3.25Å; K402-D426 PolarHBondContact NZ-OD2 3.19Å
403	V	95.5	Very high	96.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.			trans	-61.2	124.8	177.8	176.7	0	0	0	0	109.1	L379 I382 T405 L406 D426 V427	L379-V403 HydrophobicContact CG-CG2 4.11Å; L379-V403 PolarHBondContact O-N 3.17Å; I382-V403 HydrophobicContact CD1-CG2 4.37Å; I382-V403 HydrophobicContact CG1-CG1 4.4Å; I382-V403 HydrophobicContact CG1-CG2 3.92Å; V403-T405 VanDerWaalsContact CG1-O 3.26Å; V403-T405 WeakPolarHBondContact CG1-O 3.27Å; V403-L406 HydrophobicContact CG1-CD2 3.99Å; V403-D426 CarbonylContact O-C 3.01Å; V403-D426 VanDerWaalsContact O-C 3.22Å; V403-D426 PolarHBondContact O-N 3.26Å; V403-V427 HydrophobicContact CG1-CG2 4.34Å; V403-V427 WeakPolarHBondContact O-CA 3.44Å; V403-V427 VanDerWaalsContact O-CG2 3.26Å; V403-V427 WeakPolarHBondContact O-CG2 3.5Å; V403-V427 PolarHBondContact O-N 3.06Å
404	L	92	Very high	96.1	Very high	67 Å²	67	39.3 Å²	39.3	35%	0.351	20%	0.198	S	C	.	.			trans	-88.6	-38.4	-179.2	-63.7	173.2	0	0	0	112.2	M380 K402 D426 V427 D428	M380-L404 HydrophobicContact CE-CD1 4.48Å; K402-L404 PolarHBondContact O-N 2.71Å; L404-D426 HydrophobicContact CD2-CB 4.01Å; L404-V427 VanDerWaalsContact O-CA 3.24Å; L404-V427 WeakPolarHBondContact O-CA 3.32Å; L404-D428 PolarHBondContact O-N 2.76Å; L404-D428 VanDerWaalsContact O-OD1 3.1Å
405	T	92.8	Very high	96	Very high	37 Å²	37	39.2 Å²	39.2	23%	0.227	20%	0.2	C	C	.	.			trans	-152.1	165.3	-178.7	-174.3	0	0	0	0	110.1	V403 V429 Y431	V403-T405 VanDerWaalsContact CG1-O 3.26Å; V403-T405 WeakPolarHBondContact CG1-O 3.27Å; T405-V429 PolarHBondContact OG1-O 2.67Å; T405-Y431 WeakPolarHBondContact OG1-CE2 3.45Å
406	L	94.6	Very high	95.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.			trans	-117.6	137.4	168.4	-62.2	174.8	0	0	0	108.8	I382 V403 T410 F411 L422 L430 Y431 T434	I382-L406 HydrophobicContact CB-CD2 4.38Å; I382-L406 HydrophobicContact CG1-CD2 4.36Å; V403-L406 HydrophobicContact CG1-CD2 3.99Å; L406-T410 HydrophobicContact CD2-CG2 4.49Å; L406-F411 HydrophobicContact CD1-CE2 3.7Å; L406-F411 HydrophobicContact CD1-CZ 3.67Å; L406-L422 HydrophobicContact CD1-CD1 3.66Å; L406-L422 HydrophobicContact CD1-CD2 4.07Å; L406-L422 HydrophobicContact CD1-CG 4.5Å; L406-L430 HydrophobicContact CB-CD2 4.25Å; L406-L430 HydrophobicContact CD1-CD2 4.12Å; L406-L430 HydrophobicContact CG-CD2 4.27Å; L406-Y431 WeakPolarHBondContact O-CD2 3.35Å; L406-T434 HydrophobicContact CB-CG2 4.07Å
407	E	92.6	Very high	95.9	Very high	83 Å²	83	37.8 Å²	37.8	39%	0.388	20%	0.197	S	C	.	.			trans	-67	151.4	176.6	-67.5	-60.8	152.2	0	0	110.9	E384 N409 T410	E384-E407 HydrophobicContact CB-CB 3.99Å; E384-E407 HydrophobicContact CB-CG 4.35Å; E407-N409 PolarHBondContact O-N 3.36Å; E407-N409 VanDerWaalsContact O-N 3.08Å; E407-T410 PolarHBondContact N-OG1 3.04Å; E407-T410 VanDerWaalsContact N-OG1 3.17Å; E407-T410 WeakPolarHBondContact O-CB 3.44Å; E407-T410 PolarHBondContact O-N 2.85Å; E407-T410 VanDerWaalsContact O-N 3.16Å; E407-T410 PolarHBondContact O-OG1 3.2Å; E407-T410 VanDerWaalsContact O-OG1 3.04Å
408	P	92.4	Very high	95.9	Very high	46 Å²	46	37.3 Å²	37.3	30%	0.299	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.4	-176.4	-27.4	34.9	0	0	0	114.9	Y431 T434	P408-Y431 HydrophobicContact CG-CD2 4.2Å; P408-Y431 HydrophobicContact CG-CG 4.25Å; P408-T434 WeakPolarHBondContact O-CA 3.24Å
409	N	95	Very high	95.9	Very high	80 Å²	80	38.5 Å²	38.5	43%	0.428	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	5.4	-176.4	-61.7	-35.2	0	0	0	114	E407 F411 Q412	E407-N409 PolarHBondContact O-N 3.36Å; E407-N409 VanDerWaalsContact O-N 3.08Å; N409-F411 PolarHBondContact O-N 2.84Å; N409-Q412 HydrophobicContact CB-CB 4.47Å; N409-Q412 VanDerWaalsContact O-CB 3.28Å; N409-Q412 WeakPolarHBondContact O-CB 3.34Å; N409-Q412 PolarHBondContact O-N 2.93Å
410	T	95.8	Very high	95.9	Very high	4 Å²	4	38 Å²	38	3%	0.025	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-32.2	-176	-64.7	0	0	0	0	113.6	I382 E384 F387 L406 E407	I382-T410 HydrophobicContact CG2-CG2 4.1Å; E384-T410 WeakPolarHBondContact O-CA 3.34Å; F387-T410 HydrophobicContact CD2-CG2 3.75Å; F387-T410 HydrophobicContact CE2-CG2 3.6Å; L406-T410 HydrophobicContact CD2-CG2 4.49Å; E407-T410 PolarHBondContact N-OG1 3.04Å; E407-T410 VanDerWaalsContact N-OG1 3.17Å; E407-T410 WeakPolarHBondContact O-CB 3.44Å; E407-T410 PolarHBondContact O-N 2.85Å; E407-T410 VanDerWaalsContact O-N 3.16Å; E407-T410 PolarHBondContact O-OG1 3.2Å; E407-T410 VanDerWaalsContact O-OG1 3.04Å
411	F	97	Very high	95.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	13.8	-177.8	-57	-56.2	0	0	0	114.6	F387 L396 L406 N409 N413 T414 L420 T434 L435 L438	F387-F411 HydrophobicContact CD2-CD1 4.37Å; F387-F411 HydrophobicContact CD2-CE1 4.26Å; F387-F411 HydrophobicContact CE2-CE1 4.08Å; L396-F411 HydrophobicContact CD2-CE1 3.72Å; L406-F411 HydrophobicContact CD1-CE2 3.7Å; L406-F411 HydrophobicContact CD1-CZ 3.67Å; N409-F411 PolarHBondContact O-N 2.84Å; F411-N413 PolarHBondContact O-N 3.44Å; F411-T414 WeakPolarHBondContact CA-OG1 3.39Å; F411-T414 PolarHBondContact O-N 3.48Å; F411-T414 PolarHBondContact O-OG1 3.35Å; F411-L420 HydrophobicContact CE1-CD1 4.31Å; F411-L420 HydrophobicContact CE2-CD2 3.81Å; F411-L420 HydrophobicContact CZ-CD1 3.94Å; F411-L420 HydrophobicContact CZ-CD2 3.74Å; F411-T434 HydrophobicContact CD2-CG2 4.13Å; F411-T434 WeakPolarHBondContact CD2-O 3.3Å; F411-T434 HydrophobicContact CE2-CG2 4.09Å; F411-L435 HydrophobicContact CD2-CD2 3.98Å; F411-L435 HydrophobicContact CE2-CD2 3.84Å; F411-L438 HydrophobicContact CB-CD1 4.23Å; F411-L438 HydrophobicContact CB-CD2 3.75Å; F411-L438 HydrophobicContact CB-CG 4.06Å; F411-L438 HydrophobicContact CD2-CD1 3.94Å; F411-L438 HydrophobicContact CE2-CD1 4.49Å; F411-L438 HydrophobicContact CG-CD1 4.05Å; F411-L438 HydrophobicContact CG-CD2 4.31Å; F411-L438 HydrophobicContact CG-CG 4.42Å
412	Q	94.9	Very high	96	Very high	117 Å²	117	38 Å²	38	55%	0.547	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.9	-176.3	-172.3	166.9	17.3	0	0	113.1	N409	N409-Q412 HydrophobicContact CB-CB 4.47Å; N409-Q412 VanDerWaalsContact O-CB 3.28Å; N409-Q412 WeakPolarHBondContact O-CB 3.34Å; N409-Q412 PolarHBondContact O-N 2.93Å
413	N	94.4	Very high	96.1	Very high	73 Å²	73	34.9 Å²	34.9	39%	0.39	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	9.5	-177.9	-69.4	-58.8	0	0	0	114.5	N388 F411 P415	N388-N413 PolarHBondContact OD1-ND2 3.02Å; F411-N413 PolarHBondContact O-N 3.44Å; N413-P415 WeakPolarHBondContact O-CD 3.36Å
414	T	97.1	Very high	96.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.			trans	-123.2	51.4	178.7	50.8	0	0	0	0	112.6	F387 L390 L393 F411 K416 L417 L438	F387-T414 HydrophobicContact CB-CG2 3.79Å; L390-T414 HydrophobicContact CB-CG2 3.94Å; L393-T414 HydrophobicContact CB-CG2 4.2Å; L393-T414 HydrophobicContact CD2-CG2 3.95Å; F411-T414 WeakPolarHBondContact CA-OG1 3.39Å; F411-T414 PolarHBondContact O-N 3.48Å; F411-T414 PolarHBondContact O-OG1 3.35Å; T414-K416 PolarHBondContact O-N 2.87Å; T414-K416 VanDerWaalsContact O-N 3.08Å; T414-L417 WeakPolarHBondContact O-CB 3.23Å; T414-L417 PolarHBondContact O-N 3.16Å; T414-L438 WeakPolarHBondContact O-CD2 3.44Å
415	P	95.5	Very high	96.4	Very high	56 Å²	56	35.5 Å²	35.5	36%	0.364	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.9	-171	29.5	-37.7	0	0	0	114.5	N413 L417	N413-P415 WeakPolarHBondContact O-CD 3.36Å; P415-L417 VanDerWaalsContact C-N 3.32Å
416	K	97.7	Very high	96.5	Very high	89 Å²	89	36.3 Å²	36.3	39%	0.387	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.3	-179.6	-74.6	-173.6	170.9	174.4	0	114.2	T391 E392 L393 T414 S418	T391-K416 WeakPolarHBondContact O-CD 3.34Å; E392-K416 IonicContact OE1-NZ 3.13Å; E392-K416 PolarHBondContact OE1-NZ 3.17Å; E392-K416 IonicContact OE2-NZ 2.67Å; E392-K416 PolarHBondContact OE2-NZ 3.01Å; L393-K416 CarbonylContact O-C 3.14Å; T414-K416 PolarHBondContact O-N 2.87Å; T414-K416 VanDerWaalsContact O-N 3.08Å; K416-S418 PolarHBondContact O-N 3.5Å; K416-S418 VanDerWaalsContact O-N 3.12Å
417	L	98.5	Very high	96.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.			trans	-60.6	118.8	-175.3	-161.3	72	0	0	0	110.5	L393 L396 T414 P415 L420 L438 D440 L441	L393-L417 HydrophobicContact CB-CD1 4.47Å; L393-L417 HydrophobicContact CD2-CD1 3.96Å; L393-L417 HydrophobicContact CG-CD1 3.88Å; L393-L417 VanDerWaalsContact O-CA 3.29Å; L393-L417 WeakPolarHBondContact O-CA 3.22Å; L393-L417 PolarHBondContact O-N 3.34Å; L393-L417 VanDerWaalsContact O-N 3.11Å; L396-L417 HydrophobicContact CB-CD1 3.77Å; L396-L417 HydrophobicContact CB-CD2 4.27Å; T414-L417 WeakPolarHBondContact O-CB 3.23Å; T414-L417 PolarHBondContact O-N 3.16Å; P415-L417 VanDerWaalsContact C-N 3.32Å; L417-L420 HydrophobicContact CD2-CB 3.95Å; L417-L420 HydrophobicContact CD2-CD1 4.24Å; L417-L420 HydrophobicContact CD2-CG 4.49Å; L417-L438 HydrophobicContact CB-CD2 3.78Å; L417-L438 HydrophobicContact CD2-CD1 4.06Å; L417-L438 HydrophobicContact CD2-CD2 4.26Å; L417-D440 CarbonylContact O-C 3.56Å; L417-L441 HydrophobicContact CD2-CD1 4.36Å; L417-L441 HydrophobicContact CG-CD1 4.29Å; L417-L441 VanDerWaalsContact O-CA 3.3Å; L417-L441 WeakPolarHBondContact O-CA 3.18Å; L417-L441 WeakPolarHBondContact O-CD1 3.32Å; L417-L441 PolarHBondContact O-N 3.14Å
418	S	98.6	Very high	96.8	Very high	11 Å²	11	35.7 Å²	35.7	8%	0.077	19%	0.192	C	C	.	.			trans	-99.5	-26.8	176.8	75.5	0	0	0	0	112.3	D394 K416 Q442 E443	D394-S418 VanDerWaalsContact CG-OG 3.23Å; D394-S418 PolarHBondContact O-N 3.08Å; D394-S418 PolarHBondContact O-OG 3.18Å; D394-S418 VanDerWaalsContact O-OG 3.12Å; D394-S418 WeakPolarHBondContact OD1-CB 3.34Å; D394-S418 PolarHBondContact OD1-OG 3.11Å; K416-S418 PolarHBondContact O-N 3.5Å; K416-S418 VanDerWaalsContact O-N 3.12Å; S418-Q442 WeakPolarHBondContact O-CA 3.24Å; S418-Q442 PolarHBondContact O-N 3.14Å; S418-E443 PolarHBondContact O-N 3.45Å
419	T	98.8	Very high	96.9	Very high	24 Å²	24	36.5 Å²	36.5	15%	0.147	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	123.2	-179.4	-55.7	0	0	0	0	111	D394 R395 L396 E443 Y445	D394-T419 PolarHBondContact O-N 3.08Å; R395-T419 WeakPolarHBondContact CA-O 3.3Å; L396-T419 PolarHBondContact N-O 2.9Å; T419-E443 WeakPolarHBondContact CA-O 3.16Å; T419-E443 HydrophobicContact CG2-CB 4.08Å; T419-Y445 HydrophobicContact CG2-CE2 4.26Å
420	L	98.6	Very high	96.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119	172.2	177.7	59.6	0	0	0	109.8	L396 F411 L417 L422 L435 L438 L441 E443 L444 Y445	L396-L420 HydrophobicContact CB-CD1 4.27Å; L396-L420 HydrophobicContact CD2-CD1 3.99Å; L396-L420 HydrophobicContact CG-CD1 4.19Å; F411-L420 HydrophobicContact CE1-CD1 4.31Å; F411-L420 HydrophobicContact CE2-CD2 3.81Å; F411-L420 HydrophobicContact CZ-CD1 3.94Å; F411-L420 HydrophobicContact CZ-CD2 3.74Å; L417-L420 HydrophobicContact CD2-CB 3.95Å; L417-L420 HydrophobicContact CD2-CD1 4.24Å; L417-L420 HydrophobicContact CD2-CG 4.49Å; L420-L422 HydrophobicContact CD1-CD1 4.47Å; L420-L422 HydrophobicContact CD1-CG 4.31Å; L420-L422 HydrophobicContact CD2-CD1 4.12Å; L420-L422 HydrophobicContact CG-CD1 4.23Å; L420-L422 HydrophobicContact CG-CG 4.39Å; L420-L435 HydrophobicContact CD2-CD2 3.8Å; L420-L438 HydrophobicContact CD2-CD1 4.33Å; L420-L441 HydrophobicContact CB-CD1 3.95Å; L420-E443 PolarHBondContact N-O 2.87Å; L420-L444 HydrophobicContact CB-CD1 4.15Å; L420-L444 HydrophobicContact CD2-CD1 4.03Å; L420-L444 HydrophobicContact CG-CD1 4.16Å; L420-L444 WeakPolarHBondContact O-CA 3.35Å; L420-Y445 PolarHBondContact O-N 3.32Å
421	D	98.7	Very high	96.9	Very high	28 Å²	28	37.8 Å²	37.8	15%	0.15	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.3	176.5	-169.7	-9	0	0	0	110.9	L396 L398 S399 S423 Y445	L396-D421 PolarHBondContact O-N 3.39Å; L398-D421 CarbonylContact C-O 3.39Å; L398-D421 WeakPolarHBondContact CA-O 3.43Å; L398-D421 PolarHBondContact N-O 2.84Å; S399-D421 PolarHBondContact N-O 3.04Å; D421-S423 WeakPolarHBondContact OD1-CB 3.24Å; D421-S423 PolarHBondContact OD1-N 3.03Å; D421-S423 PolarHBondContact OD1-OG 2.81Å; D421-Y445 HydrophobicContact CB-CD2 4.09Å; D421-Y445 WeakPolarHBondContact OD1-CB 3.33Å
422	L	98.2	Very high	96.7	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.23	C	C	.	.			trans	-116.8	15.1	173.1	-70.1	157.9	0	0	0	110.9	L398 L406 L420 S425 V427 Y445 L446 T449	L398-L422 HydrophobicContact CB-CD2 3.78Å; L398-L422 HydrophobicContact CD1-CD2 3.85Å; L398-L422 HydrophobicContact CG-CD2 4.49Å; L406-L422 HydrophobicContact CD1-CD1 3.66Å; L406-L422 HydrophobicContact CD1-CD2 4.07Å; L406-L422 HydrophobicContact CD1-CG 4.5Å; L420-L422 HydrophobicContact CD1-CD1 4.47Å; L420-L422 HydrophobicContact CD1-CG 4.31Å; L420-L422 HydrophobicContact CD2-CD1 4.12Å; L420-L422 HydrophobicContact CG-CD1 4.23Å; L420-L422 HydrophobicContact CG-CG 4.39Å; L422-S425 WeakPolarHBondContact O-CB 3.3Å; L422-S425 PolarHBondContact O-OG 3.02Å; L422-V427 HydrophobicContact CD2-CG2 4.48Å; L422-Y445 PolarHBondContact N-O 2.79Å; L422-L446 HydrophobicContact CB-CD2 4.06Å; L422-L446 HydrophobicContact CD1-CD2 3.77Å; L422-T449 VanDerWaalsContact O-CG2 3.24Å; L422-T449 WeakPolarHBondContact O-CG2 3.35Å
423	S	98.3	Very high	96.6	Very high	16 Å²	16	41 Å²	41	11%	0.112	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	149.8	-172.9	66.8	0	0	0	0	112.2	S399 S400 D421 S425 Y445 N447	S399-S423 CarbonylContact C-O 3.07Å; S399-S423 WeakPolarHBondContact CA-O 3.34Å; S399-S423 VanDerWaalsContact CB-O 3.24Å; S399-S423 WeakPolarHBondContact CB-O 3.49Å; S399-S423 WeakPolarHBondContact CB-OG 3.18Å; S400-S423 PolarHBondContact N-O 2.95Å; D421-S423 WeakPolarHBondContact OD1-CB 3.24Å; D421-S423 PolarHBondContact OD1-N 3.03Å; D421-S423 PolarHBondContact OD1-OG 2.81Å; S423-S425 PolarHBondContact O-N 3.39Å; S423-S425 PolarHBondContact O-OG 3.27Å; S423-Y445 PolarHBondContact N-O 2.78Å; S423-N447 CarbonylContact C-O 3.51Å; S423-N447 WeakPolarHBondContact CA-O 3Å; S423-N447 WeakPolarHBondContact CB-O 3.26Å; S423-N447 WeakPolarHBondContact CB-OD1 3.41Å
424	N	97.7	Very high	96.6	Very high	81 Å²	81	37.6 Å²	37.6	43%	0.433	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	28.3	178.8	-164.3	57.6	0	0	0	113.8	S400 N447 K448	S400-N424 VanDerWaalsContact CA-O 3.3Å; S400-N424 WeakPolarHBondContact CA-O 3.42Å; S400-N424 PolarHBondContact OG-ND2 3.23Å; N424-N447 PolarHBondContact N-O 3.31Å; N424-K448 VanDerWaalsContact CA-O 3.31Å; N424-K448 WeakPolarHBondContact CA-O 3.45Å; N424-K448 HydrophobicContact CB-CB 4.44Å
425	S	96.9	Very high	96.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-109.7	165.9	175.7	-57.9	0	0	0	0	111.3	L398 S400 T401 L422 S423 V427 T449	L398-S425 PolarHBondContact O-OG 3.17Å; S400-S425 PolarHBondContact N-OG 2.88Å; T401-S425 PolarHBondContact N-OG 3.2Å; T401-S425 VanDerWaalsContact N-OG 3.16Å; T401-S425 VanDerWaalsContact O-CA 3.3Å; T401-S425 WeakPolarHBondContact O-CA 3.42Å; T401-S425 PolarHBondContact OG1-OG 3.1Å; L422-S425 WeakPolarHBondContact O-CB 3.3Å; L422-S425 PolarHBondContact O-OG 3.02Å; S423-S425 PolarHBondContact O-N 3.39Å; S423-S425 PolarHBondContact O-OG 3.27Å; S425-V427 PolarHBondContact O-N 2.87Å; S425-V427 VanDerWaalsContact O-N 3.11Å; S425-T449 WeakPolarHBondContact O-CA 3.31Å
426	D	95.4	Very high	96.5	Very high	54 Å²	54	38.2 Å²	38.2	29%	0.289	21%	0.205	S	C	.	.			trans	-83.4	22	-175.5	-71	3.6	0	0	0	113.4	K402 V403 L404 D428	K402-D426 WeakPolarHBondContact CD-OD2 3.33Å; K402-D426 IonicContact NZ-OD1 2.72Å; K402-D426 PolarHBondContact NZ-OD1 3.05Å; K402-D426 IonicContact NZ-OD2 3.25Å; K402-D426 PolarHBondContact NZ-OD2 3.19Å; V403-D426 CarbonylContact O-C 3.01Å; V403-D426 VanDerWaalsContact O-C 3.22Å; V403-D426 PolarHBondContact O-N 3.26Å; L404-D426 HydrophobicContact CD2-CB 4.01Å; D426-D428 PolarHBondContact O-N 3.17Å; D426-D428 VanDerWaalsContact O-N 3.13Å
427	V	96.9	Very high	96.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.			trans	-63.6	114.8	-174.9	179	0	0	0	0	110.6	V403 L404 L422 S425 L430 T449 Q450 L451	V403-V427 HydrophobicContact CG1-CG2 4.34Å; V403-V427 WeakPolarHBondContact O-CA 3.44Å; V403-V427 VanDerWaalsContact O-CG2 3.26Å; V403-V427 WeakPolarHBondContact O-CG2 3.5Å; V403-V427 PolarHBondContact O-N 3.06Å; L404-V427 VanDerWaalsContact O-CA 3.24Å; L404-V427 WeakPolarHBondContact O-CA 3.32Å; L422-V427 HydrophobicContact CD2-CG2 4.48Å; S425-V427 PolarHBondContact O-N 2.87Å; S425-V427 VanDerWaalsContact O-N 3.11Å; V427-L430 HydrophobicContact CG1-CD1 4.37Å; V427-L430 HydrophobicContact CG1-CD2 3.86Å; V427-L430 HydrophobicContact CG1-CG 3.86Å; V427-T449 HydrophobicContact CB-CG2 4.32Å; V427-T449 WeakPolarHBondContact O-CB 3.42Å; V427-Q450 CarbonylContact O-C 3.22Å; V427-Q450 VanDerWaalsContact O-C 3.28Å; V427-Q450 WeakPolarHBondContact O-CA 3.35Å; V427-Q450 PolarHBondContact O-N 3.48Å; V427-L451 HydrophobicContact CG1-CD2 4.22Å; V427-L451 PolarHBondContact O-N 3.25Å
428	D	95.8	Very high	96.4	Very high	70 Å²	70	35.9 Å²	35.9	37%	0.374	20%	0.199	S	C	.	.			trans	-105.7	-27	-177.4	67.8	-8.2	0	0	0	113.3	L404 D426 Q450	L404-D428 PolarHBondContact O-N 2.76Å; L404-D428 VanDerWaalsContact O-OD1 3.1Å; D426-D428 PolarHBondContact O-N 3.17Å; D426-D428 VanDerWaalsContact O-N 3.13Å; D428-Q450 WeakPolarHBondContact CA-O 3.4Å; D428-Q450 HydrophobicContact CB-CB 3.93Å
429	V	94.9	Very high	96.3	Very high	62 Å²	62	38.5 Å²	38.5	38%	0.376	21%	0.214	S	C	.	.			trans	-135.6	139.1	-179.5	-178.8	0	0	0	0	110.8	T405 Y431	T405-V429 PolarHBondContact OG1-O 2.67Å; V429-Y431 HydrophobicContact CG1-CD1 4.41Å; V429-Y431 HydrophobicContact CG1-CE1 4.12Å
430	L	95.6	Very high	96.2	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.031	22%	0.219	C	C	.	.			trans	-129.4	129.1	167	-69.9	171.3	0	0	0	108.5	L406 V427 L446 L451 L454 P455 F458	L406-L430 HydrophobicContact CB-CD2 4.25Å; L406-L430 HydrophobicContact CD1-CD2 4.12Å; L406-L430 HydrophobicContact CG-CD2 4.27Å; V427-L430 HydrophobicContact CG1-CD1 4.37Å; V427-L430 HydrophobicContact CG1-CD2 3.86Å; V427-L430 HydrophobicContact CG1-CG 3.86Å; L430-L446 HydrophobicContact CD1-CD1 4.2Å; L430-L446 HydrophobicContact CD1-CD2 3.95Å; L430-L451 HydrophobicContact CD1-CD1 4.2Å; L430-L451 HydrophobicContact CD1-CD2 4.12Å; L430-L451 HydrophobicContact CG-CD2 4.08Å; L430-L454 HydrophobicContact CB-CD2 4.39Å; L430-L454 HydrophobicContact CD1-CD2 4.17Å; L430-P455 WeakPolarHBondContact O-CD 3.3Å; L430-P455 WeakPolarHBondContact O-CG 3.29Å; L430-F458 HydrophobicContact CB-CE2 3.91Å; L430-F458 HydrophobicContact CB-CZ 3.82Å; L430-F458 HydrophobicContact CD1-CE1 4.27Å; L430-F458 HydrophobicContact CD1-CZ 3.81Å; L430-F458 HydrophobicContact CG-CZ 4.39Å
431	Y	94.6	Very high	96.2	Very high	106 Å²	106	39.6 Å²	39.6	42%	0.416	22%	0.219	S	C	.	.			trans	-80.7	157.7	-174	-63.1	-72	0	0	0	112.8	T405 L406 P408 V429 G433 T434 F458	T405-Y431 WeakPolarHBondContact OG1-CE2 3.45Å; L406-Y431 WeakPolarHBondContact O-CD2 3.35Å; P408-Y431 HydrophobicContact CG-CD2 4.2Å; P408-Y431 HydrophobicContact CG-CG 4.25Å; V429-Y431 HydrophobicContact CG1-CD1 4.41Å; V429-Y431 HydrophobicContact CG1-CE1 4.12Å; Y431-G433 PolarHBondContact O-N 2.81Å; Y431-T434 PolarHBondContact O-N 3.15Å; Y431-T434 PolarHBondContact O-OG1 3.07Å; Y431-T434 VanDerWaalsContact O-OG1 3.11Å; Y431-F458 WeakPolarHBondContact O-CE2 3.49Å
432	E	93.4	Very high	96.2	Very high	156 Å²	156	41 Å²	41	73%	0.729	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	134.2	171	-173.6	177.6	174	0	0	109.5	T434 P455	E432-T434 VanDerWaalsContact C-N 3.34Å; E432-T434 PolarHBondContact O-N 2.86Å; E432-P455 HydrophobicContact CB-CB 4.09Å; E432-P455 HydrophobicContact CB-CG 4.43Å
433	G	92	Very high	96.2	Very high	29 Å²	29	42.5 Å²	42.5	30%	0.299	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	-15.8	179.4	0	0	0	0	0	115.7	Y431 L435 S436	Y431-G433 PolarHBondContact O-N 2.81Å; G433-L435 VanDerWaalsContact C-N 3.25Å; G433-L435 PolarHBondContact O-N 2.76Å; G433-L435 VanDerWaalsContact O-N 3.13Å; G433-S436 WeakPolarHBondContact CA-OG 3.41Å; G433-S436 VanDerWaalsContact O-CB 3.3Å; G433-S436 WeakPolarHBondContact O-CB 3.15Å; G433-S436 PolarHBondContact O-N 3.29Å; G433-S436 PolarHBondContact O-OG 3.44Å
434	T	94.6	Very high	96.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-41.7	-177	-61.4	0	0	0	0	112.8	L406 P408 F411 Y431 E432	L406-T434 HydrophobicContact CB-CG2 4.07Å; P408-T434 WeakPolarHBondContact O-CA 3.24Å; F411-T434 HydrophobicContact CD2-CG2 4.13Å; F411-T434 WeakPolarHBondContact CD2-O 3.3Å; F411-T434 HydrophobicContact CE2-CG2 4.09Å; Y431-T434 PolarHBondContact O-N 3.15Å; Y431-T434 PolarHBondContact O-OG1 3.07Å; Y431-T434 VanDerWaalsContact O-OG1 3.11Å; E432-T434 VanDerWaalsContact C-N 3.34Å; E432-T434 PolarHBondContact O-N 2.86Å
435	L	96.3	Very high	96.3	Very high	4 Å²	4	40 Å²	40	2%	0.021	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	1.1	179.5	-52	-176.3	0	0	0	114.1	F411 L420 G433 P437 L438 L444 F458 L462	F411-L435 HydrophobicContact CD2-CD2 3.98Å; F411-L435 HydrophobicContact CE2-CD2 3.84Å; L420-L435 HydrophobicContact CD2-CD2 3.8Å; G433-L435 VanDerWaalsContact C-N 3.25Å; G433-L435 PolarHBondContact O-N 2.76Å; G433-L435 VanDerWaalsContact O-N 3.13Å; L435-P437 VanDerWaalsContact C-CD 3.41Å; L435-P437 VanDerWaalsContact C-N 3.33Å; L435-L438 HydrophobicContact CB-CD1 4.4Å; L435-L438 HydrophobicContact CD2-CD1 3.79Å; L435-L438 WeakPolarHBondContact O-CB 3.36Å; L435-L438 PolarHBondContact O-N 3.24Å; L435-L444 HydrophobicContact CD1-CD1 4.42Å; L435-L444 HydrophobicContact CD1-CD2 3.71Å; L435-F458 HydrophobicContact CD1-CD1 4.23Å; L435-F458 HydrophobicContact CD1-CE1 3.35Å; L435-F458 HydrophobicContact CD1-CE2 4.4Å; L435-F458 HydrophobicContact CD1-CZ 3.46Å; L435-F458 VanDerWaalsContact CD1-CZ 3.46Å; L435-F458 HydrophobicContact CG-CE1 4.04Å; L435-F458 HydrophobicContact CG-CE2 4.21Å; L435-F458 HydrophobicContact CG-CZ 3.61Å; L435-L462 HydrophobicContact CB-CD2 4.13Å; L435-L462 HydrophobicContact CD1-CD1 4.22Å
436	S	95.3	Very high	96.4	Very high	66 Å²	66	40 Å²	40	46%	0.462	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.9	-177.3	-70.1	0	0	0	0	114.8	G433 L438	G433-S436 WeakPolarHBondContact CA-OG 3.41Å; G433-S436 VanDerWaalsContact O-CB 3.3Å; G433-S436 WeakPolarHBondContact O-CB 3.15Å; G433-S436 PolarHBondContact O-N 3.29Å; G433-S436 PolarHBondContact O-OG 3.44Å; S436-L438 PolarHBondContact O-N 2.95Å
437	P	96.1	Very high	96.5	Very high	39 Å²	39	38.2 Å²	38.2	25%	0.253	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.9	174.4	-22.7	34.9	0	0	0	114.3	L435 T439	L435-P437 VanDerWaalsContact C-CD 3.41Å; L435-P437 VanDerWaalsContact C-N 3.33Å; P437-T439 VanDerWaalsContact C-N 3.25Å; P437-T439 PolarHBondContact O-N 3.15Å
438	L	97.3	Very high	96.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.224	C	C	.	.			trans	-86.5	53.8	-167.7	-54.5	-176.9	0	0	0	112.8	F411 T414 L417 L420 L435 S436 D440 L441 L462	F411-L438 HydrophobicContact CB-CD1 4.23Å; F411-L438 HydrophobicContact CB-CD2 3.75Å; F411-L438 HydrophobicContact CB-CG 4.06Å; F411-L438 HydrophobicContact CD2-CD1 3.94Å; F411-L438 HydrophobicContact CE2-CD1 4.49Å; F411-L438 HydrophobicContact CG-CD1 4.05Å; F411-L438 HydrophobicContact CG-CD2 4.31Å; F411-L438 HydrophobicContact CG-CG 4.42Å; T414-L438 WeakPolarHBondContact O-CD2 3.44Å; L417-L438 HydrophobicContact CB-CD2 3.78Å; L417-L438 HydrophobicContact CD2-CD1 4.06Å; L417-L438 HydrophobicContact CD2-CD2 4.26Å; L420-L438 HydrophobicContact CD2-CD1 4.33Å; L435-L438 HydrophobicContact CB-CD1 4.4Å; L435-L438 HydrophobicContact CD2-CD1 3.79Å; L435-L438 WeakPolarHBondContact O-CB 3.36Å; L435-L438 PolarHBondContact O-N 3.24Å; S436-L438 PolarHBondContact O-N 2.95Å; L438-D440 PolarHBondContact O-N 2.98Å; L438-D440 VanDerWaalsContact O-N 3.15Å; L438-L441 HydrophobicContact CB-CB 4.09Å; L438-L441 HydrophobicContact CD1-CD1 4.33Å; L438-L441 HydrophobicContact CD1-CD2 4.38Å; L438-L441 VanDerWaalsContact O-CB 3.29Å; L438-L441 WeakPolarHBondContact O-CB 3.44Å; L438-L441 PolarHBondContact O-N 3.47Å; L438-L441 VanDerWaalsContact O-N 3.09Å; L438-L462 HydrophobicContact CB-CD2 4.23Å; L438-L462 WeakPolarHBondContact O-CD2 3.49Å
439	T	96.7	Very high	96.7	Very high	66 Å²	66	39.3 Å²	39.3	41%	0.405	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-21	-177	60.6	0	0	0	0	114	P437 S463	P437-T439 VanDerWaalsContact C-N 3.25Å; P437-T439 PolarHBondContact O-N 3.15Å; T439-S463 PolarHBondContact O-OG 2.96Å
440	D	97.5	Very high	96.8	Very high	47 Å²	47	40.8 Å²	40.8	25%	0.251	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-1.4	178.1	-82.4	-23.2	0	0	0	114.5	L417 L438 Q442 R464	L417-D440 CarbonylContact O-C 3.56Å; L438-D440 PolarHBondContact O-N 2.98Å; L438-D440 VanDerWaalsContact O-N 3.15Å; D440-Q442 PolarHBondContact O-N 3.01Å; D440-R464 WeakPolarHBondContact OD1-CD 3.33Å; D440-R464 IonicContact OD1-CZ 3.22Å; D440-R464 IonicContact OD1-NE 3.47Å; D440-R464 PolarHBondContact OD1-NE 3.12Å; D440-R464 IonicContact OD1-NH1 2.99Å; D440-R464 PolarHBondContact OD1-NH1 2.77Å; D440-R464 IonicContact OD1-NH2 3.33Å; D440-R464 IonicContact OD2-NH1 3.04Å
441	L	98.6	Very high	96.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.			trans	-61.5	124.5	-176.5	-159.3	72.3	0	0	0	111.2	L417 L420 L438 L444 L462 R464 L465	L417-L441 HydrophobicContact CD2-CD1 4.36Å; L417-L441 HydrophobicContact CG-CD1 4.29Å; L417-L441 VanDerWaalsContact O-CA 3.3Å; L417-L441 WeakPolarHBondContact O-CA 3.18Å; L417-L441 WeakPolarHBondContact O-CD1 3.32Å; L417-L441 PolarHBondContact O-N 3.14Å; L420-L441 HydrophobicContact CB-CD1 3.95Å; L438-L441 HydrophobicContact CB-CB 4.09Å; L438-L441 HydrophobicContact CD1-CD1 4.33Å; L438-L441 HydrophobicContact CD1-CD2 4.38Å; L438-L441 VanDerWaalsContact O-CB 3.29Å; L438-L441 WeakPolarHBondContact O-CB 3.44Å; L438-L441 PolarHBondContact O-N 3.47Å; L438-L441 VanDerWaalsContact O-N 3.09Å; L441-L444 HydrophobicContact CD2-CB 4.06Å; L441-L444 HydrophobicContact CD2-CD1 4.3Å; L441-L444 HydrophobicContact CD2-CD2 4.41Å; L441-L444 HydrophobicContact CD2-CG 4.49Å; L441-L462 HydrophobicContact CB-CD2 4.06Å; L441-L462 HydrophobicContact CD2-CD1 4.14Å; L441-L462 HydrophobicContact CD2-CD2 4.06Å; L441-R464 CarbonylContact O-C 3.53Å; L441-L465 VanDerWaalsContact O-CA 3.3Å; L441-L465 WeakPolarHBondContact O-CA 3.48Å; L441-L465 PolarHBondContact O-N 2.89Å
442	Q	98.6	Very high	96.9	Very high	57 Å²	57	38.9 Å²	38.9	27%	0.266	20%	0.204	S	C	.	.			trans	-107.8	-32.6	178.9	-68.1	176.4	56.5	0	0	111.9	S418 D440 R464 R466 R467	S418-Q442 WeakPolarHBondContact O-CA 3.24Å; S418-Q442 PolarHBondContact O-N 3.14Å; D440-Q442 PolarHBondContact O-N 3.01Å; Q442-R464 HydrophobicContact CG-CB 4.3Å; Q442-R466 WeakPolarHBondContact O-CA 3.49Å; Q442-R466 PolarHBondContact O-N 3.41Å; Q442-R467 PolarHBondContact O-N 3.03Å
443	E	98.8	Very high	97	Very high	34 Å²	34	33.8 Å²	33.8	16%	0.159	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.5	-175.2	-50	-168	-177.8	0	0	111	S418 T419 L420 Y445 R467	S418-E443 PolarHBondContact O-N 3.45Å; T419-E443 WeakPolarHBondContact CA-O 3.16Å; T419-E443 HydrophobicContact CG2-CB 4.08Å; L420-E443 PolarHBondContact N-O 2.87Å; E443-Y445 HydrophobicContact CB-CE2 3.75Å; E443-Y445 WeakPolarHBondContact OE2-CE2 3.41Å; E443-Y445 PolarHBondContact OE2-OH 3Å; E443-R467 WeakPolarHBondContact CA-O 3.42Å; E443-R467 HydrophobicContact CB-CB 4.34Å; E443-R467 HydrophobicContact CG-CB 4.15Å; E443-R467 IonicContact OE1-CZ 2.7Å; E443-R467 IonicContact OE1-NE 3.1Å; E443-R467 PolarHBondContact OE1-NE 3.07Å; E443-R467 IonicContact OE1-NH2 3.15Å; E443-R467 PolarHBondContact OE1-NH2 2.98Å; E443-R467 IonicContact OE2-NE 2.88Å
444	L	98.7	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116.8	178.2	179.8	57.9	0	0	0	110.3	L420 L435 L441 L446 F459 L462 L465 R467 L468 D469	L420-L444 HydrophobicContact CB-CD1 4.15Å; L420-L444 HydrophobicContact CD2-CD1 4.03Å; L420-L444 HydrophobicContact CG-CD1 4.16Å; L420-L444 WeakPolarHBondContact O-CA 3.35Å; L435-L444 HydrophobicContact CD1-CD1 4.42Å; L435-L444 HydrophobicContact CD1-CD2 3.71Å; L441-L444 HydrophobicContact CD2-CB 4.06Å; L441-L444 HydrophobicContact CD2-CD1 4.3Å; L441-L444 HydrophobicContact CD2-CD2 4.41Å; L441-L444 HydrophobicContact CD2-CG 4.49Å; L444-L446 HydrophobicContact CD1-CD1 4.41Å; L444-L446 HydrophobicContact CD1-CD2 4.12Å; L444-L446 HydrophobicContact CD1-CG 4.01Å; L444-L446 HydrophobicContact CD2-CD1 4.02Å; L444-L446 HydrophobicContact CD2-CG 4.41Å; L444-L446 HydrophobicContact CG-CD1 4.15Å; L444-L446 HydrophobicContact CG-CG 3.99Å; L444-F459 HydrophobicContact CD2-CD1 4.4Å; L444-F459 HydrophobicContact CD2-CE1 3.87Å; L444-L462 HydrophobicContact CD2-CD1 4.27Å; L444-L465 HydrophobicContact CB-CD1 3.97Å; L444-R467 PolarHBondContact N-O 2.66Å; L444-L468 HydrophobicContact CB-CD1 4.06Å; L444-L468 HydrophobicContact CD2-CD1 4Å; L444-L468 HydrophobicContact CG-CD1 4.07Å; L444-L468 WeakPolarHBondContact O-CA 3.28Å; L444-D469 PolarHBondContact O-N 3.46Å
445	Y	98.6	Very high	97.3	Very high	44 Å²	44	34.1 Å²	34.1	17%	0.173	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	110.5	178.1	-55.1	-87.1	0	0	0	109.8	T419 L420 D421 L422 S423 E443 D469	T419-Y445 HydrophobicContact CG2-CE2 4.26Å; L420-Y445 PolarHBondContact O-N 3.32Å; D421-Y445 HydrophobicContact CB-CD2 4.09Å; D421-Y445 WeakPolarHBondContact OD1-CB 3.33Å; L422-Y445 PolarHBondContact N-O 2.79Å; S423-Y445 PolarHBondContact N-O 2.78Å; E443-Y445 HydrophobicContact CB-CE2 3.75Å; E443-Y445 WeakPolarHBondContact OE2-CE2 3.41Å; E443-Y445 PolarHBondContact OE2-OH 3Å; Y445-D469 HydrophobicContact CD1-CB 3.93Å
446	L	98.3	Very high	97.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.217	C	C	.	.			trans	-121.2	17.4	177.8	-63.2	176.4	0	0	0	110.8	L422 L430 L444 T449 L451 D469 I470 N473	L422-L446 HydrophobicContact CB-CD2 4.06Å; L422-L446 HydrophobicContact CD1-CD2 3.77Å; L430-L446 HydrophobicContact CD1-CD1 4.2Å; L430-L446 HydrophobicContact CD1-CD2 3.95Å; L444-L446 HydrophobicContact CD1-CD1 4.41Å; L444-L446 HydrophobicContact CD1-CD2 4.12Å; L444-L446 HydrophobicContact CD1-CG 4.01Å; L444-L446 HydrophobicContact CD2-CD1 4.02Å; L444-L446 HydrophobicContact CD2-CG 4.41Å; L444-L446 HydrophobicContact CG-CD1 4.15Å; L444-L446 HydrophobicContact CG-CG 3.99Å; L446-T449 WeakPolarHBondContact O-CG2 3.13Å; L446-T449 PolarHBondContact O-OG1 2.72Å; L446-L451 HydrophobicContact CB-CD1 4.09Å; L446-L451 HydrophobicContact CD1-CD1 4.16Å; L446-L451 HydrophobicContact CG-CD1 4.5Å; L446-D469 CarbonylContact C-O 3.27Å; L446-D469 WeakPolarHBondContact CA-O 3.39Å; L446-D469 PolarHBondContact N-O 3.49Å; L446-I470 HydrophobicContact CB-CG2 4.21Å; L446-I470 HydrophobicContact CD1-CG2 4.31Å; L446-N473 PolarHBondContact O-ND2 2.8Å
447	N	98.3	Very high	97	Very high	17 Å²	17	39.8 Å²	39.8	9%	0.091	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	148.8	-174.9	62.5	-84.3	0	0	0	112.3	S423 N424 T449 D469 S471	S423-N447 CarbonylContact C-O 3.51Å; S423-N447 WeakPolarHBondContact CA-O 3Å; S423-N447 WeakPolarHBondContact CB-O 3.26Å; S423-N447 WeakPolarHBondContact CB-OD1 3.41Å; N424-N447 PolarHBondContact N-O 3.31Å; N447-T449 PolarHBondContact O-N 2.9Å; N447-D469 HydrophobicContact CB-CB 4.08Å; N447-D469 VanDerWaalsContact CB-CG 3.49Å; N447-D469 VanDerWaalsContact CB-OD1 3.27Å; N447-D469 WeakPolarHBondContact CB-OD1 3.2Å; N447-D469 PolarHBondContact N-O 3.24Å; N447-S471 CarbonylContact C-O 3.31Å; N447-S471 WeakPolarHBondContact CA-O 3.5Å; N447-S471 WeakPolarHBondContact CB-O 3.42Å; N447-S471 WeakPolarHBondContact CB-OG 3.23Å
448	K	98	Very high	97	Very high	92 Å²	92	38.7 Å²	38.7	40%	0.4	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	37.5	-177.2	-56.3	176.7	174.8	-177.9	0	112.7	N424 S471 F472	N424-K448 VanDerWaalsContact CA-O 3.31Å; N424-K448 WeakPolarHBondContact CA-O 3.45Å; N424-K448 HydrophobicContact CB-CB 4.44Å; K448-S471 PolarHBondContact N-O 2.98Å; K448-F472 WeakPolarHBondContact CA-O 3.49Å; K448-F472 HydrophobicContact CB-CB 4.39Å; K448-F472 HydrophobicContact CG-CB 3.67Å; K448-F472 HydrophobicContact CG-CD2 4.01Å; K448-F472 HydrophobicContact CG-CG 4.1Å
449	T	97.9	Very high	96.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-95.6	-165.9	166.6	67.9	0	0	0	0	110	L422 S425 V427 L446 N447 L451 N473	L422-T449 VanDerWaalsContact O-CG2 3.24Å; L422-T449 WeakPolarHBondContact O-CG2 3.35Å; S425-T449 WeakPolarHBondContact O-CA 3.31Å; V427-T449 HydrophobicContact CB-CG2 4.32Å; V427-T449 WeakPolarHBondContact O-CB 3.42Å; L446-T449 WeakPolarHBondContact O-CG2 3.13Å; L446-T449 PolarHBondContact O-OG1 2.72Å; N447-T449 PolarHBondContact O-N 2.9Å; T449-L451 WeakPolarHBondContact OG1-CD1 3.45Å; T449-L451 VanDerWaalsContact OG1-CG 3.3Å; T449-L451 WeakPolarHBondContact OG1-CG 3.36Å; T449-N473 WeakPolarHBondContact CA-OD1 2.93Å; T449-N473 PolarHBondContact N-OD1 2.7Å; T449-N473 PolarHBondContact O-OD1 3.04Å; T449-N473 PolarHBondContact OG1-OD1 2.99Å
450	Q	97.1	Very high	96.8	Very high	93 Å²	93	41.7 Å²	41.7	44%	0.435	21%	0.208	S	C	.	.			trans	-107.3	25.2	175.8	-62.4	-55.8	-68	0	0	111.3	V427 D428 H452	V427-Q450 CarbonylContact O-C 3.22Å; V427-Q450 VanDerWaalsContact O-C 3.28Å; V427-Q450 WeakPolarHBondContact O-CA 3.35Å; V427-Q450 PolarHBondContact O-N 3.48Å; D428-Q450 WeakPolarHBondContact CA-O 3.4Å; D428-Q450 HydrophobicContact CB-CB 3.93Å; Q450-H452 PolarHBondContact O-CD2 3.45Å; Q450-H452 PolarHBondContact O-N 3.14Å
451	L	97.6	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.			trans	-68	122.8	-174.9	-71.8	165.9	0	0	0	112.4	V427 L430 L446 T449 L454 N473 P474 W475	V427-L451 HydrophobicContact CG1-CD2 4.22Å; V427-L451 PolarHBondContact O-N 3.25Å; L430-L451 HydrophobicContact CD1-CD1 4.2Å; L430-L451 HydrophobicContact CD1-CD2 4.12Å; L430-L451 HydrophobicContact CG-CD2 4.08Å; L446-L451 HydrophobicContact CB-CD1 4.09Å; L446-L451 HydrophobicContact CD1-CD1 4.16Å; L446-L451 HydrophobicContact CG-CD1 4.5Å; T449-L451 WeakPolarHBondContact OG1-CD1 3.45Å; T449-L451 VanDerWaalsContact OG1-CG 3.3Å; T449-L451 WeakPolarHBondContact OG1-CG 3.36Å; L451-L454 HydrophobicContact CD1-CD2 4.24Å; L451-L454 HydrophobicContact CD2-CD2 4.25Å; L451-N473 HydrophobicContact CB-CB 4.4Å; L451-N473 PolarHBondContact N-OD1 3.06Å; L451-P474 CarbonylContact O-C 3.33Å; L451-P474 VanDerWaalsContact O-CD 3.32Å; L451-P474 WeakPolarHBondContact O-CD 3.2Å; L451-W475 HydrophobicContact CB-CH2 3.73Å; L451-W475 HydrophobicContact CB-CZ2 4.38Å; L451-W475 HydrophobicContact CB-CZ3 3.94Å; L451-W475 HydrophobicContact CD1-CH2 4.16Å
452	H	96	Very high	96.5	Very high	73 Å²	73	41.5 Å²	41.5	34%	0.338	21%	0.211	S	C	.	.			trans	-87.9	-34.1	174.4	-70.9	-121.6	0	0	0	112.1	Q450 Q476	Q450-H452 PolarHBondContact O-CD2 3.45Å; Q450-H452 PolarHBondContact O-N 3.14Å; H452-Q476 HydrophobicContact CB-CG 3.98Å; H452-Q476 PolarHBondContact ND1-NE2 3.05Å; H452-Q476 PolarHBondContact O-N 3.04Å
453	S	95.6	Very high	96.3	Very high	49 Å²	49	43.6 Å²	43.6	34%	0.343	23%	0.232	S	C	.	.			trans	-158.1	173	-179.7	68.8	0	0	0	0	110.1
454	L	96.3	Very high	96.3	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	25%	0.249	C	C	.	.			trans	-129.3	143.2	170.2	-72.2	172.5	0	0	0	108.7	L430 L451 F458 F459 W475 W483	L430-L454 HydrophobicContact CB-CD2 4.39Å; L430-L454 HydrophobicContact CD1-CD2 4.17Å; L451-L454 HydrophobicContact CD1-CD2 4.24Å; L451-L454 HydrophobicContact CD2-CD2 4.25Å; L454-F458 HydrophobicContact CB-CB 4.43Å; L454-F458 HydrophobicContact CD1-CD1 4.18Å; L454-F458 HydrophobicContact CD2-CD1 3.97Å; L454-F458 HydrophobicContact CD2-CE1 3.92Å; L454-F458 HydrophobicContact CD2-CG 4.44Å; L454-F458 HydrophobicContact CD2-CZ 4.35Å; L454-F458 HydrophobicContact CG-CD1 4.46Å; L454-F459 HydrophobicContact CD1-CE1 4.31Å; L454-F459 HydrophobicContact CD1-CE2 4.35Å; L454-F459 HydrophobicContact CD1-CZ 3.67Å; L454-W475 HydrophobicContact CD1-CH2 3.91Å; L454-W475 HydrophobicContact CD1-CZ3 4.4Å; L454-W475 HydrophobicContact CG-CH2 3.88Å; L454-W475 HydrophobicContact CG-CZ3 4Å; L454-W483 HydrophobicContact CB-CH2 4.29Å; L454-W483 HydrophobicContact CB-CZ2 3.63Å; L454-W483 WeakPolarHBondContact O-CZ2 3.33Å; L454-W483 PolarHBondContact O-NE1 2.76Å
455	P	95.5	Very high	96.2	Very high	32 Å²	32	49.2 Å²	49.2	21%	0.208	25%	0.253	C	S	.	.			trans	-55.5	149	176.7	-24	32.7	0	0	0	112.4	L430 E432 G457 F458 W483	L430-P455 WeakPolarHBondContact O-CD 3.3Å; L430-P455 WeakPolarHBondContact O-CG 3.29Å; E432-P455 HydrophobicContact CB-CB 4.09Å; E432-P455 HydrophobicContact CB-CG 4.43Å; P455-G457 PolarHBondContact O-N 2.92Å; P455-F458 HydrophobicContact CG-CD2 4.21Å; P455-F458 WeakPolarHBondContact O-CB 3.17Å; P455-F458 PolarHBondContact O-N 2.94Å; P455-F458 VanDerWaalsContact O-N 3.17Å; P455-W483 VanDerWaalsContact O-CE2 3.27Å; P455-W483 WeakPolarHBondContact O-CZ2 2.91Å
456	K	94.7	Very high	96.2	Very high	171 Å²	171	54.4 Å²	54.4	74%	0.743	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	132	177.9	-175.5	-179	177.2	-177	0	110.2	F458 W483	K456-F458 VanDerWaalsContact C-N 3.29Å; K456-F458 PolarHBondContact O-N 2.8Å; K456-W483 HydrophobicContact CB-CG 4.4Å; K456-W483 HydrophobicContact CG-CB 4.28Å; K456-W483 HydrophobicContact CG-CG 4.14Å
457	G	90.6	Very high	96.2	Very high	18 Å²	18	59.2 Å²	59.2	19%	0.186	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	15.5	179.2	0	0	0	0	0	114.2	P455 F459 D460	P455-G457 PolarHBondContact O-N 2.92Å; G457-F459 PolarHBondContact O-N 3.33Å; G457-D460 WeakPolarHBondContact CA-OD1 3.39Å; G457-D460 WeakPolarHBondContact CA-OD2 3.4Å; G457-D460 VanDerWaalsContact O-CB 3.28Å; G457-D460 WeakPolarHBondContact O-CB 3.29Å; G457-D460 VanDerWaalsContact O-CG 3.23Å; G457-D460 PolarHBondContact O-N 2.9Å
458	F	95.7	Very high	96.2	Very high	15 Å²	15	58.4 Å²	58.4	7%	0.066	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-24.7	-178	-173.7	-105.9	0	0	0	114.3	L430 Y431 L435 L454 P455 K456 W483	L430-F458 HydrophobicContact CB-CE2 3.91Å; L430-F458 HydrophobicContact CB-CZ 3.82Å; L430-F458 HydrophobicContact CD1-CE1 4.27Å; L430-F458 HydrophobicContact CD1-CZ 3.81Å; L430-F458 HydrophobicContact CG-CZ 4.39Å; Y431-F458 WeakPolarHBondContact O-CE2 3.49Å; L435-F458 HydrophobicContact CD1-CD1 4.23Å; L435-F458 HydrophobicContact CD1-CE1 3.35Å; L435-F458 HydrophobicContact CD1-CE2 4.4Å; L435-F458 HydrophobicContact CD1-CZ 3.46Å; L435-F458 VanDerWaalsContact CD1-CZ 3.46Å; L435-F458 HydrophobicContact CG-CE1 4.04Å; L435-F458 HydrophobicContact CG-CE2 4.21Å; L435-F458 HydrophobicContact CG-CZ 3.61Å; L454-F458 HydrophobicContact CB-CB 4.43Å; L454-F458 HydrophobicContact CD1-CD1 4.18Å; L454-F458 HydrophobicContact CD2-CD1 3.97Å; L454-F458 HydrophobicContact CD2-CE1 3.92Å; L454-F458 HydrophobicContact CD2-CG 4.44Å; L454-F458 HydrophobicContact CD2-CZ 4.35Å; L454-F458 HydrophobicContact CG-CD1 4.46Å; P455-F458 HydrophobicContact CG-CD2 4.21Å; P455-F458 WeakPolarHBondContact O-CB 3.17Å; P455-F458 PolarHBondContact O-N 2.94Å; P455-F458 VanDerWaalsContact O-N 3.17Å; K456-F458 VanDerWaalsContact C-N 3.29Å; K456-F458 PolarHBondContact O-N 2.8Å; F458-W483 HydrophobicContact CB-CH2 3.94Å; F458-W483 HydrophobicContact CB-CZ2 4.18Å
459	F	96.1	Very high	96.2	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.022	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	0.9	177.8	-55.1	-43.7	0	0	0	114.3	L444 L454 G457 A461 L462 L468 W483 L484 W487	L444-F459 HydrophobicContact CD2-CD1 4.4Å; L444-F459 HydrophobicContact CD2-CE1 3.87Å; L454-F459 HydrophobicContact CD1-CE1 4.31Å; L454-F459 HydrophobicContact CD1-CE2 4.35Å; L454-F459 HydrophobicContact CD1-CZ 3.67Å; G457-F459 PolarHBondContact O-N 3.33Å; F459-A461 VanDerWaalsContact C-N 3.27Å; F459-A461 PolarHBondContact O-N 3.36Å; F459-L462 HydrophobicContact CB-CD1 4.31Å; F459-L462 HydrophobicContact CD1-CD1 3.77Å; F459-L462 HydrophobicContact CG-CD1 4.48Å; F459-L462 WeakPolarHBondContact O-CB 3.48Å; F459-L462 PolarHBondContact O-N 2.95Å; F459-L468 HydrophobicContact CE1-CD1 4.32Å; F459-L468 HydrophobicContact CE2-CD2 4.02Å; F459-L468 HydrophobicContact CZ-CD1 4.16Å; F459-L468 HydrophobicContact CZ-CD2 4.01Å; F459-W483 AromaticContact CD2-CH2 3.91Å; F459-W483 HydrophobicContact CD2-CH2 3.91Å; F459-W483 AromaticContact CD2-CZ3 3.9Å; F459-W483 HydrophobicContact CD2-CZ3 3.9Å; F459-W483 HydrophobicContact CE2-CH2 4.01Å; F459-W483 HydrophobicContact CE2-CZ3 4.32Å; F459-L484 HydrophobicContact CD2-CD1 4.44Å; F459-L484 HydrophobicContact CE2-CD1 3.59Å; F459-L484 HydrophobicContact CZ-CD1 4.4Å; F459-W487 HydrophobicContact CB-CZ2 4.04Å; F459-W487 AromaticContact CD2-CD2 3.81Å; F459-W487 HydrophobicContact CD2-CD2 3.81Å; F459-W487 AromaticContact CD2-CE2 3.76Å; F459-W487 HydrophobicContact CD2-CE3 4Å; F459-W487 HydrophobicContact CD2-CG 4.36Å; F459-W487 HydrophobicContact CD2-CH2 4.18Å; F459-W487 AromaticContact CD2-CZ2 3.97Å; F459-W487 HydrophobicContact CD2-CZ2 3.97Å; F459-W487 HydrophobicContact CD2-CZ3 4.2Å; F459-W487 HydrophobicContact CE2-CD2 4.48Å; F459-W487 HydrophobicContact CE2-CE3 4.26Å; F459-W487 HydrophobicContact CE2-CZ3 4.36Å; F459-W487 HydrophobicContact CG-CZ2 4.28Å
460	D	94	Very high	96.2	Very high	124 Å²	124	54.6 Å²	54.6	66%	0.663	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-31.9	-168.3	-70.8	-4	0	0	0	112.9	G457 L462	G457-D460 WeakPolarHBondContact CA-OD1 3.39Å; G457-D460 WeakPolarHBondContact CA-OD2 3.4Å; G457-D460 VanDerWaalsContact O-CB 3.28Å; G457-D460 WeakPolarHBondContact O-CB 3.29Å; G457-D460 VanDerWaalsContact O-CG 3.23Å; G457-D460 PolarHBondContact O-N 2.9Å; D460-L462 VanDerWaalsContact C-N 3.35Å
461	A	94.7	Very high	96.3	Very high	33 Å²	33	50.1 Å²	50.1	27%	0.273	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-16.2	177.1	0	0	0	0	0	113.8	F459 S463	F459-A461 VanDerWaalsContact C-N 3.27Å; F459-A461 PolarHBondContact O-N 3.36Å; A461-S463 PolarHBondContact O-N 2.9Å
462	L	96.6	Very high	96.3	Very high	10 Å²	10	54.6 Å²	54.6	5%	0.052	27%	0.269	C	S	.	.			trans	-84.8	59.5	-170	-50.7	-177.9	0	0	0	111.9	L435 L438 L441 L444 F459 D460 R464 L465	L435-L462 HydrophobicContact CB-CD2 4.13Å; L435-L462 HydrophobicContact CD1-CD1 4.22Å; L438-L462 HydrophobicContact CB-CD2 4.23Å; L438-L462 WeakPolarHBondContact O-CD2 3.49Å; L441-L462 HydrophobicContact CB-CD2 4.06Å; L441-L462 HydrophobicContact CD2-CD1 4.14Å; L441-L462 HydrophobicContact CD2-CD2 4.06Å; L444-L462 HydrophobicContact CD2-CD1 4.27Å; F459-L462 HydrophobicContact CB-CD1 4.31Å; F459-L462 HydrophobicContact CD1-CD1 3.77Å; F459-L462 HydrophobicContact CG-CD1 4.48Å; F459-L462 WeakPolarHBondContact O-CB 3.48Å; F459-L462 PolarHBondContact O-N 2.95Å; D460-L462 VanDerWaalsContact C-N 3.35Å; L462-R464 PolarHBondContact O-N 2.59Å; L462-L465 HydrophobicContact CB-CB 4.05Å; L462-L465 HydrophobicContact CD1-CD1 4.49Å; L462-L465 HydrophobicContact CD1-CD2 4.26Å; L462-L465 WeakPolarHBondContact O-CB 3.22Å; L462-L465 PolarHBondContact O-N 2.65Å; L462-L465 VanDerWaalsContact O-N 3.1Å
463	S	94.3	Very high	96.4	Very high	101 Å²	101	51.5 Å²	51.5	71%	0.706	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.3	-173.5	68.5	0	0	0	0	115.1	T439 A461	T439-S463 PolarHBondContact O-OG 2.96Å; A461-S463 PolarHBondContact O-N 2.9Å
464	R	97	Very high	96.5	Very high	137 Å²	137	50.1 Å²	50.1	52%	0.517	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	6.8	-179.9	-63.8	-165.2	175.8	174.1	-4.4	114.1	D440 L441 Q442 L462 R466	D440-R464 WeakPolarHBondContact OD1-CD 3.33Å; D440-R464 IonicContact OD1-CZ 3.22Å; D440-R464 IonicContact OD1-NE 3.47Å; D440-R464 PolarHBondContact OD1-NE 3.12Å; D440-R464 IonicContact OD1-NH1 2.99Å; D440-R464 PolarHBondContact OD1-NH1 2.77Å; D440-R464 IonicContact OD1-NH2 3.33Å; D440-R464 IonicContact OD2-NH1 3.04Å; L441-R464 CarbonylContact O-C 3.53Å; Q442-R464 HydrophobicContact CG-CB 4.3Å; L462-R464 PolarHBondContact O-N 2.59Å; R464-R466 PolarHBondContact O-N 3.03Å
465	L	98.2	Very high	96.5	Very high	15 Å²	15	50 Å²	50	8%	0.079	24%	0.244	C	C	.	.			trans	-61.4	127.2	-176.2	-167.7	68	0	0	0	111	L441 L444 L462 L468 W487 V495	L441-L465 VanDerWaalsContact O-CA 3.3Å; L441-L465 WeakPolarHBondContact O-CA 3.48Å; L441-L465 PolarHBondContact O-N 2.89Å; L444-L465 HydrophobicContact CB-CD1 3.97Å; L462-L465 HydrophobicContact CB-CB 4.05Å; L462-L465 HydrophobicContact CD1-CD1 4.49Å; L462-L465 HydrophobicContact CD1-CD2 4.26Å; L462-L465 WeakPolarHBondContact O-CB 3.22Å; L462-L465 PolarHBondContact O-N 2.65Å; L462-L465 VanDerWaalsContact O-N 3.1Å; L465-L468 HydrophobicContact CD2-CB 4.49Å; L465-W487 HydrophobicContact CD2-CH2 3.98Å; L465-W487 HydrophobicContact CD2-CZ2 4.19Å; L465-V495 HydrophobicContact CD2-CG1 4.38Å; L465-V495 HydrophobicContact CG-CG1 4.27Å
466	R	97.8	Very high	96.6	Very high	153 Å²	153	51.7 Å²	51.7	58%	0.577	25%	0.249	S	C	*	.			trans	-122.3	-33.1	-178.5	-71.5	176.1	179.3	-175	-2.2	112.7	Q442 R464 T496	Q442-R466 WeakPolarHBondContact O-CA 3.49Å; Q442-R466 PolarHBondContact O-N 3.41Å; R464-R466 PolarHBondContact O-N 3.03Å; R466-T496 PolarHBondContact O-N 3.04Å
467	R	98.5	Very high	96.6	Very high	102 Å²	102	43.6 Å²	43.6	39%	0.385	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.2	179.9	-71.2	-174	-98.2	-88.8	4.6	110.2	Q442 E443 L444 T496	Q442-R467 PolarHBondContact O-N 3.03Å; E443-R467 WeakPolarHBondContact CA-O 3.42Å; E443-R467 HydrophobicContact CB-CB 4.34Å; E443-R467 HydrophobicContact CG-CB 4.15Å; E443-R467 IonicContact OE1-CZ 2.7Å; E443-R467 IonicContact OE1-NE 3.1Å; E443-R467 PolarHBondContact OE1-NE 3.07Å; E443-R467 IonicContact OE1-NH2 3.15Å; E443-R467 PolarHBondContact OE1-NH2 2.98Å; E443-R467 IonicContact OE2-NE 2.88Å; L444-R467 PolarHBondContact N-O 2.66Å; R467-T496 WeakPolarHBondContact CA-O 3.3Å
468	L	98.4	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.3	176.1	178.8	64.7	0	0	0	108.9	L444 F459 L465 I470 W487 V495 T496 I497 N498	L444-L468 HydrophobicContact CB-CD1 4.06Å; L444-L468 HydrophobicContact CD2-CD1 4Å; L444-L468 HydrophobicContact CG-CD1 4.07Å; L444-L468 WeakPolarHBondContact O-CA 3.28Å; F459-L468 HydrophobicContact CE1-CD1 4.32Å; F459-L468 HydrophobicContact CE2-CD2 4.02Å; F459-L468 HydrophobicContact CZ-CD1 4.16Å; F459-L468 HydrophobicContact CZ-CD2 4.01Å; L465-L468 HydrophobicContact CD2-CB 4.49Å; L468-I470 HydrophobicContact CD1-CG2 3.73Å; L468-I470 HydrophobicContact CD2-CD1 4.4Å; L468-I470 HydrophobicContact CD2-CG1 4.44Å; L468-I470 HydrophobicContact CD2-CG2 4.22Å; L468-I470 HydrophobicContact CG-CG1 4.46Å; L468-I470 HydrophobicContact CG-CG2 3.94Å; L468-W487 HydrophobicContact CD2-CH2 4.02Å; L468-W487 HydrophobicContact CD2-CZ3 3.68Å; L468-V495 HydrophobicContact CB-CG1 4.11Å; L468-T496 PolarHBondContact N-O 2.82Å; L468-I497 CarbonylContact O-C 3.03Å; L468-I497 VanDerWaalsContact O-CA 3.3Å; L468-I497 WeakPolarHBondContact O-CA 3.01Å; L468-N498 PolarHBondContact O-N 3.19Å
469	D	98.4	Very high	96.7	Very high	11 Å²	11	46 Å²	46	6%	0.059	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115.3	165.4	-158.7	-25.3	0	0	0	109.9	L444 Y445 L446 N447 S471 N498	L444-D469 PolarHBondContact O-N 3.46Å; Y445-D469 HydrophobicContact CD1-CB 3.93Å; L446-D469 CarbonylContact C-O 3.27Å; L446-D469 WeakPolarHBondContact CA-O 3.39Å; L446-D469 PolarHBondContact N-O 3.49Å; N447-D469 HydrophobicContact CB-CB 4.08Å; N447-D469 VanDerWaalsContact CB-CG 3.49Å; N447-D469 VanDerWaalsContact CB-OD1 3.27Å; N447-D469 WeakPolarHBondContact CB-OD1 3.2Å; N447-D469 PolarHBondContact N-O 3.24Å; D469-S471 VanDerWaalsContact OD1-CB 3.24Å; D469-S471 WeakPolarHBondContact OD1-CB 3.21Å; D469-S471 PolarHBondContact OD1-N 3.21Å; D469-S471 PolarHBondContact OD1-OG 2.97Å; D469-N498 HydrophobicContact CB-CB 3.88Å; D469-N498 WeakPolarHBondContact OD2-CB 3.24Å
470	I	97.8	Very high	96.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.			trans	-123.7	16.4	178.7	51.7	164.2	0	0	0	111	L446 L468 N473 W475 L484 I488 T503	L446-I470 HydrophobicContact CB-CG2 4.21Å; L446-I470 HydrophobicContact CD1-CG2 4.31Å; L468-I470 HydrophobicContact CD1-CG2 3.73Å; L468-I470 HydrophobicContact CD2-CD1 4.4Å; L468-I470 HydrophobicContact CD2-CG1 4.44Å; L468-I470 HydrophobicContact CD2-CG2 4.22Å; L468-I470 HydrophobicContact CG-CG1 4.46Å; L468-I470 HydrophobicContact CG-CG2 3.94Å; I470-N473 PolarHBondContact O-ND2 3.19Å; I470-W475 HydrophobicContact CB-CZ2 3.91Å; I470-W475 HydrophobicContact CG2-CZ2 4.43Å; I470-W475 PolarHBondContact O-NE1 2.77Å; I470-L484 HydrophobicContact CD1-CD1 4.4Å; I470-L484 HydrophobicContact CD1-CD2 4.43Å; I470-I488 HydrophobicContact CD1-CD1 3.83Å; I470-T503 HydrophobicContact CD1-CG2 3.89Å; I470-T503 HydrophobicContact CG1-CG2 3.91Å
471	S	98.1	Very high	96.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.217	C	C	.	.			trans	-69.6	160.3	-177.8	63.8	0	0	0	0	112.8	N447 K448 D469 N473	N447-S471 CarbonylContact C-O 3.31Å; N447-S471 WeakPolarHBondContact CA-O 3.5Å; N447-S471 WeakPolarHBondContact CB-O 3.42Å; N447-S471 WeakPolarHBondContact CB-OG 3.23Å; K448-S471 PolarHBondContact N-O 2.98Å; D469-S471 VanDerWaalsContact OD1-CB 3.24Å; D469-S471 WeakPolarHBondContact OD1-CB 3.21Å; D469-S471 PolarHBondContact OD1-N 3.21Å; D469-S471 PolarHBondContact OD1-OG 2.97Å; S471-N473 VanDerWaalsContact C-N 3.3Å; S471-N473 PolarHBondContact O-N 2.97Å
472	F	97.6	Very high	96.5	Very high	93 Å²	93	44.9 Å²	44.9	41%	0.408	22%	0.215	S	C	.	.	S	Bend	trans	56.8	36.6	176.6	-53.9	-73.1	0	0	0	115.2	K448 D502	K448-F472 WeakPolarHBondContact CA-O 3.49Å; K448-F472 HydrophobicContact CB-CB 4.39Å; K448-F472 HydrophobicContact CG-CB 3.67Å; K448-F472 HydrophobicContact CG-CD2 4.01Å; K448-F472 HydrophobicContact CG-CG 4.1Å; F472-D502 HydrophobicContact CD1-CB 4.38Å; F472-D502 HydrophobicContact CD2-CB 4.42Å; F472-D502 HydrophobicContact CE1-CB 3.79Å; F472-D502 HydrophobicContact CE2-CB 3.84Å; F472-D502 HydrophobicContact CZ-CB 3.49Å; F472-D502 VanDerWaalsContact CZ-CB 3.49Å; F472-D502 VanDerWaalsContact CZ-CG 3.47Å; F472-D502 PolarHBondContact N-O 3.11Å
473	N	98.3	Very high	96.4	Very high	9 Å²	9	46 Å²	46	5%	0.048	22%	0.218	C	C	.	.			trans	-106.8	149.7	172.1	-83.9	-60.4	0	0	0	111.3	L446 T449 L451 I470 S471 W475	L446-N473 PolarHBondContact O-ND2 2.8Å; T449-N473 WeakPolarHBondContact CA-OD1 2.93Å; T449-N473 PolarHBondContact N-OD1 2.7Å; T449-N473 PolarHBondContact O-OD1 3.04Å; T449-N473 PolarHBondContact OG1-OD1 2.99Å; L451-N473 HydrophobicContact CB-CB 4.4Å; L451-N473 PolarHBondContact N-OD1 3.06Å; I470-N473 PolarHBondContact O-ND2 3.19Å; S471-N473 VanDerWaalsContact C-N 3.3Å; S471-N473 PolarHBondContact O-N 2.97Å; N473-W475 HydrophobicContact CB-CD2 4.06Å; N473-W475 VanDerWaalsContact CB-CE2 3.45Å; N473-W475 HydrophobicContact CB-CG 4.29Å; N473-W475 HydrophobicContact CB-CH2 4.49Å; N473-W475 HydrophobicContact CB-CZ2 3.68Å; N473-W475 PolarHBondContact O-N 2.94Å
474	P	97.4	Very high	96.5	Very high	20 Å²	20	41.2 Å²	41.2	13%	0.13	18%	0.184	C	C	.	.			trans	-76.6	52.2	179.4	34.3	-37.5	0	0	0	113.1	L451 Q476 H506	L451-P474 CarbonylContact O-C 3.33Å; L451-P474 VanDerWaalsContact O-CD 3.32Å; L451-P474 WeakPolarHBondContact O-CD 3.2Å; P474-Q476 PolarHBondContact O-N 2.75Å; P474-H506 VanDerWaalsContact C-CB 3.48Å; P474-H506 HydrophobicContact CB-CB 4.14Å
475	W	97.5	Very high	96.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.16	C	C	.	.			trans	-52.9	125.5	-174.3	-65.3	116.6	0	0	0	113.1	L451 L454 I470 N473 L481 L484 H506 W507 L516	L451-W475 HydrophobicContact CB-CH2 3.73Å; L451-W475 HydrophobicContact CB-CZ2 4.38Å; L451-W475 HydrophobicContact CB-CZ3 3.94Å; L451-W475 HydrophobicContact CD1-CH2 4.16Å; L454-W475 HydrophobicContact CD1-CH2 3.91Å; L454-W475 HydrophobicContact CD1-CZ3 4.4Å; L454-W475 HydrophobicContact CG-CH2 3.88Å; L454-W475 HydrophobicContact CG-CZ3 4Å; I470-W475 HydrophobicContact CB-CZ2 3.91Å; I470-W475 HydrophobicContact CG2-CZ2 4.43Å; I470-W475 PolarHBondContact O-NE1 2.77Å; N473-W475 HydrophobicContact CB-CD2 4.06Å; N473-W475 VanDerWaalsContact CB-CE2 3.45Å; N473-W475 HydrophobicContact CB-CG 4.29Å; N473-W475 HydrophobicContact CB-CH2 4.49Å; N473-W475 HydrophobicContact CB-CZ2 3.68Å; N473-W475 PolarHBondContact O-N 2.94Å; W475-L481 HydrophobicContact CB-CD2 4.06Å; W475-L481 HydrophobicContact CE3-CD1 3.96Å; W475-L481 HydrophobicContact CZ3-CD1 4.41Å; W475-L484 HydrophobicContact CE3-CD2 4.48Å; W475-L484 HydrophobicContact CH2-CD2 4.48Å; W475-L484 HydrophobicContact CZ3-CD2 4.33Å; W475-H506 PolarHBondContact O-N 2.97Å; W475-W507 PolarHBondContact O-N 2.77Å; W475-L516 HydrophobicContact CG-CD1 4.42Å
476	Q	96.2	Very high	96.2	Very high	68 Å²	68	37.6 Å²	37.6	32%	0.318	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-89.2	98.9	170.6	-67.5	-173	-8.3	0	0	109.7	H452 P474 N478 W507	H452-Q476 HydrophobicContact CB-CG 3.98Å; H452-Q476 PolarHBondContact ND1-NE2 3.05Å; H452-Q476 PolarHBondContact O-N 3.04Å; P474-Q476 PolarHBondContact O-N 2.75Å; Q476-N478 VanDerWaalsContact C-N 3.28Å; Q476-N478 PolarHBondContact O-N 3.05Å; Q476-W507 HydrophobicContact CB-CE3 4.43Å; Q476-W507 HydrophobicContact CG-CB 4.25Å
477	C	95.7	Very high	96.1	Very high	2 Å²	2	32 Å²	32	1%	0.014	16%	0.155	C	C	.	.			trans	-81.2	72.6	-178.5	-64.6	0	0	0	0	111.8	L481 C505 W507 P508 L511 L516 L524	C477-L481 HydrophobicContact CB-CD2 4.43Å; C477-C505 HydrophobicContact CB-CB 3.82Å; C477-C505 WeakPolarHBondContact CB-SG 3.45Å; C477-C505 WeakPolarHBondContact SG-CA 3.35Å; C477-C505 WeakPolarHBondContact SG-CB 3.28Å; C477-C505 CovalentContact SG-SG 2Å; C477-C505 PolarHBondContact SG-SG 3.49Å; C477-W507 WeakPolarHBondContact CB-O 3.48Å; C477-W507 PolarHBondContact N-O 2.84Å; C477-P508 VanDerWaalsContact O-CD 3.27Å; C477-P508 WeakPolarHBondContact O-CD 3.18Å; C477-L511 HydrophobicContact CB-CD1 4.02Å; C477-L516 WeakPolarHBondContact SG-CD2 3.21Å; C477-L524 HydrophobicContact CB-CD2 3.6Å; C477-L524 WeakPolarHBondContact O-CD2 3.48Å
478	N	94.8	Very high	95.9	Very high	20 Å²	20	27.3 Å²	27.3	11%	0.107	14%	0.137	C	C	.	.	S	Bend	trans	-111.6	-174	168.1	61.9	20.7	0	0	0	110.1	Q476 N480 L481 W507	Q476-N478 VanDerWaalsContact C-N 3.28Å; Q476-N478 PolarHBondContact O-N 3.05Å; N478-N480 PolarHBondContact O-N 3.22Å; N478-N480 WeakPolarHBondContact OD1-CB 3.39Å; N478-N480 PolarHBondContact OD1-N 3.12Å; N478-N480 VanDerWaalsContact OD1-N 3.08Å; N478-L481 PolarHBondContact O-N 3.12Å; N478-W507 HydrophobicContact CB-CZ3 4.32Å
479	D	93	Very high	95.7	Very high	62 Å²	62	32 Å²	32	33%	0.332	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-56.3	-29.1	178.6	52.9	-46.6	0	0	0	114.2	L481 T482 T526	D479-L481 VanDerWaalsContact C-N 3.26Å; D479-L481 PolarHBondContact O-N 3.29Å; D479-T482 VanDerWaalsContact O-CB 3.23Å; D479-T482 WeakPolarHBondContact O-CB 3.37Å; D479-T482 PolarHBondContact O-N 2.97Å; D479-T482 PolarHBondContact O-OG1 3.23Å; D479-T526 WeakPolarHBondContact OD1-CA 3.44Å; D479-T526 WeakPolarHBondContact OD1-CG2 3.48Å; D479-T526 PolarHBondContact OD1-N 3.28Å; D479-T526 WeakPolarHBondContact OD2-CG2 3.37Å
480	N	92	Very high	95.5	Very high	105 Å²	105	35.1 Å²	35.1	56%	0.561	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-68.1	-23.2	174.7	-70.1	-18.6	0	0	0	113.2	N478 W483	N478-N480 PolarHBondContact O-N 3.22Å; N478-N480 WeakPolarHBondContact OD1-CB 3.39Å; N478-N480 PolarHBondContact OD1-N 3.12Å; N478-N480 VanDerWaalsContact OD1-N 3.08Å; N480-W483 PolarHBondContact O-NE1 3.31Å
481	L	94.7	Very high	95.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-89.8	-6	179.5	-154.5	68.4	0	0	0	113.2	W475 C477 N478 D479 W483 L484 V485 L516	W475-L481 HydrophobicContact CB-CD2 4.06Å; W475-L481 HydrophobicContact CE3-CD1 3.96Å; W475-L481 HydrophobicContact CZ3-CD1 4.41Å; C477-L481 HydrophobicContact CB-CD2 4.43Å; N478-L481 PolarHBondContact O-N 3.12Å; D479-L481 VanDerWaalsContact C-N 3.26Å; D479-L481 PolarHBondContact O-N 3.29Å; L481-W483 VanDerWaalsContact C-N 3.29Å; L481-W483 PolarHBondContact O-N 2.87Å; L481-L484 HydrophobicContact CD1-CB 4.14Å; L481-L484 HydrophobicContact CD1-CD2 3.64Å; L481-L484 HydrophobicContact CG-CB 4.28Å; L481-L484 HydrophobicContact CG-CD2 4.21Å; L481-L484 WeakPolarHBondContact O-CB 3.5Å; L481-L484 PolarHBondContact O-N 3.01Å; L481-V485 PolarHBondContact O-N 3.21Å; L481-L516 HydrophobicContact CD2-CD2 3.8Å
482	T	94	Very high	94.9	Very high	35 Å²	35	39.1 Å²	39.1	22%	0.215	22%	0.215	C	C	.	.	H	α-helix	trans	-48.5	-49.6	179.5	-64.8	0	0	0	0	112.5	D479 L484 V485 D486 V521	D479-T482 VanDerWaalsContact O-CB 3.23Å; D479-T482 WeakPolarHBondContact O-CB 3.37Å; D479-T482 PolarHBondContact O-N 2.97Å; D479-T482 PolarHBondContact O-OG1 3.23Å; T482-L484 PolarHBondContact O-N 3.09Å; T482-V485 PolarHBondContact O-N 3Å; T482-D486 PolarHBondContact O-N 2.8Å; T482-V521 HydrophobicContact CG2-CG1 3.17Å
483	W	94.8	Very high	94.6	Very high	33 Å²	33	43.7 Å²	43.7	13%	0.125	24%	0.237	C	C	.	.	H	α-helix	trans	-60.9	-35	-177.3	77.6	-94.3	0	0	0	111.9	L454 P455 K456 F458 F459 N480 L481 D486 W487	L454-W483 HydrophobicContact CB-CH2 4.29Å; L454-W483 HydrophobicContact CB-CZ2 3.63Å; L454-W483 WeakPolarHBondContact O-CZ2 3.33Å; L454-W483 PolarHBondContact O-NE1 2.76Å; P455-W483 VanDerWaalsContact O-CE2 3.27Å; P455-W483 WeakPolarHBondContact O-CZ2 2.91Å; K456-W483 HydrophobicContact CB-CG 4.4Å; K456-W483 HydrophobicContact CG-CB 4.28Å; K456-W483 HydrophobicContact CG-CG 4.14Å; F458-W483 HydrophobicContact CB-CH2 3.94Å; F458-W483 HydrophobicContact CB-CZ2 4.18Å; F459-W483 AromaticContact CD2-CH2 3.91Å; F459-W483 HydrophobicContact CD2-CH2 3.91Å; F459-W483 AromaticContact CD2-CZ3 3.9Å; F459-W483 HydrophobicContact CD2-CZ3 3.9Å; F459-W483 HydrophobicContact CE2-CH2 4.01Å; F459-W483 HydrophobicContact CE2-CZ3 4.32Å; N480-W483 PolarHBondContact O-NE1 3.31Å; L481-W483 VanDerWaalsContact C-N 3.29Å; L481-W483 PolarHBondContact O-N 2.87Å; W483-D486 PolarHBondContact O-N 3.03Å; W483-W487 HydrophobicContact CE3-CB 4.17Å; W483-W487 HydrophobicContact CZ3-CB 4.24Å; W483-W487 HydrophobicContact CZ3-CG 4.36Å; W483-W487 WeakPolarHBondContact O-CB 3.36Å; W483-W487 PolarHBondContact O-N 2.97Å
484	L	95.8	Very high	94.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-71	-42.5	-179.1	179.1	62.6	0	0	0	110.2	F459 I470 W475 L481 T482 D486 W487 I488 L516	F459-L484 HydrophobicContact CD2-CD1 4.44Å; F459-L484 HydrophobicContact CE2-CD1 3.59Å; F459-L484 HydrophobicContact CZ-CD1 4.4Å; I470-L484 HydrophobicContact CD1-CD1 4.4Å; I470-L484 HydrophobicContact CD1-CD2 4.43Å; W475-L484 HydrophobicContact CE3-CD2 4.48Å; W475-L484 HydrophobicContact CH2-CD2 4.48Å; W475-L484 HydrophobicContact CZ3-CD2 4.33Å; L481-L484 HydrophobicContact CD1-CB 4.14Å; L481-L484 HydrophobicContact CD1-CD2 3.64Å; L481-L484 HydrophobicContact CG-CB 4.28Å; L481-L484 HydrophobicContact CG-CD2 4.21Å; L481-L484 WeakPolarHBondContact O-CB 3.5Å; L481-L484 PolarHBondContact O-N 3.01Å; T482-L484 PolarHBondContact O-N 3.09Å; L484-D486 VanDerWaalsContact C-N 3.32Å; L484-D486 PolarHBondContact O-N 3.01Å; L484-W487 PolarHBondContact O-N 3.04Å; L484-I488 HydrophobicContact CD1-CD1 4.23Å; L484-I488 HydrophobicContact CD1-CG1 4.35Å; L484-I488 HydrophobicContact CG-CD1 4.03Å; L484-I488 WeakPolarHBondContact O-CB 3.43Å; L484-I488 WeakPolarHBondContact O-CG1 3.21Å; L484-I488 PolarHBondContact O-N 3.09Å; L484-L516 HydrophobicContact CD2-CD1 4.34Å
485	V	95	Very high	94.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-44.4	174.4	174	0	0	0	0	110.8	L481 T482 K489 L516 V521 L524	L481-V485 PolarHBondContact O-N 3.21Å; T482-V485 PolarHBondContact O-N 3Å; V485-K489 HydrophobicContact CG1-CD 4.27Å; V485-K489 WeakPolarHBondContact O-CG 3.38Å; V485-K489 PolarHBondContact O-N 2.81Å; V485-K489 VanDerWaalsContact O-N 3.14Å; V485-L516 WeakPolarHBondContact CG1-O 3.32Å; V485-L516 HydrophobicContact CG2-CB 4.29Å; V485-L516 HydrophobicContact CG2-CD2 4.09Å; V485-V521 HydrophobicContact CG1-CG2 4.05Å; V485-L524 HydrophobicContact CB-CD1 4.46Å; V485-L524 HydrophobicContact CG2-CD1 4Å
486	D	94.7	Very high	94.3	Very high	77 Å²	77	51.6 Å²	51.6	41%	0.412	29%	0.286	S	S	.	.	H	α-helix	trans	-64.9	-43.7	176.6	-71.1	-27.8	0	0	0	111.9	T482 W483 L484 I488 K489 A490 V521	T482-D486 PolarHBondContact O-N 2.8Å; W483-D486 PolarHBondContact O-N 3.03Å; L484-D486 VanDerWaalsContact C-N 3.32Å; L484-D486 PolarHBondContact O-N 3.01Å; D486-I488 PolarHBondContact O-N 2.96Å; D486-K489 PolarHBondContact O-N 3.28Å; D486-A490 WeakPolarHBondContact O-CB 3.47Å; D486-A490 PolarHBondContact O-N 3.28Å; D486-V521 WeakPolarHBondContact OD1-CG2 3.15Å
487	W	95.3	Very high	94.3	Very high	35 Å²	35	49.4 Å²	49.4	13%	0.133	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-44.4	178.1	-174.9	99.1	0	0	0	111.5	F459 L465 L468 W483 L484 K489 A490 N491 V495 I497	F459-W487 HydrophobicContact CB-CZ2 4.04Å; F459-W487 AromaticContact CD2-CD2 3.81Å; F459-W487 HydrophobicContact CD2-CD2 3.81Å; F459-W487 AromaticContact CD2-CE2 3.76Å; F459-W487 HydrophobicContact CD2-CE3 4Å; F459-W487 HydrophobicContact CD2-CG 4.36Å; F459-W487 HydrophobicContact CD2-CH2 4.18Å; F459-W487 AromaticContact CD2-CZ2 3.97Å; F459-W487 HydrophobicContact CD2-CZ2 3.97Å; F459-W487 HydrophobicContact CD2-CZ3 4.2Å; F459-W487 HydrophobicContact CE2-CD2 4.48Å; F459-W487 HydrophobicContact CE2-CE3 4.26Å; F459-W487 HydrophobicContact CE2-CZ3 4.36Å; F459-W487 HydrophobicContact CG-CZ2 4.28Å; L465-W487 HydrophobicContact CD2-CH2 3.98Å; L465-W487 HydrophobicContact CD2-CZ2 4.19Å; L468-W487 HydrophobicContact CD2-CH2 4.02Å; L468-W487 HydrophobicContact CD2-CZ3 3.68Å; W483-W487 HydrophobicContact CE3-CB 4.17Å; W483-W487 HydrophobicContact CZ3-CB 4.24Å; W483-W487 HydrophobicContact CZ3-CG 4.36Å; W483-W487 WeakPolarHBondContact O-CB 3.36Å; W483-W487 PolarHBondContact O-N 2.97Å; L484-W487 PolarHBondContact O-N 3.04Å; W487-K489 PolarHBondContact O-N 3.28Å; W487-A490 PolarHBondContact O-N 3.31Å; W487-N491 HydrophobicContact CD2-CB 4.28Å; W487-N491 HydrophobicContact CE3-CB 4.36Å; W487-N491 HydrophobicContact CH2-CB 4.15Å; W487-N491 HydrophobicContact CZ2-CB 4.08Å; W487-N491 HydrophobicContact CZ3-CB 4.29Å; W487-N491 PolarHBondContact NE1-ND2 3Å; W487-N491 WeakPolarHBondContact O-CB 3.26Å; W487-N491 PolarHBondContact O-N 2.99Å; W487-N491 PolarHBondContact O-ND2 3.17Å; W487-V495 HydrophobicContact CH2-CB 4.33Å; W487-V495 HydrophobicContact CH2-CG1 4.26Å; W487-V495 HydrophobicContact CH2-CG2 4.08Å; W487-V495 HydrophobicContact CZ2-CG2 4.45Å; W487-I497 HydrophobicContact CZ3-CD1 4.49Å
488	I	95	Very high	94.4	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-60.7	-44.9	177.1	-72.5	167.8	0	0	0	110.6	I470 L484 D486 G492 I497 I500 L516 T517	I470-I488 HydrophobicContact CD1-CD1 3.83Å; L484-I488 HydrophobicContact CD1-CD1 4.23Å; L484-I488 HydrophobicContact CD1-CG1 4.35Å; L484-I488 HydrophobicContact CG-CD1 4.03Å; L484-I488 WeakPolarHBondContact O-CB 3.43Å; L484-I488 WeakPolarHBondContact O-CG1 3.21Å; L484-I488 PolarHBondContact O-N 3.09Å; D486-I488 PolarHBondContact O-N 2.96Å; I488-G492 WeakPolarHBondContact O-CA 3.33Å; I488-G492 PolarHBondContact O-N 3.16Å; I488-I497 HydrophobicContact CB-CD1 4.19Å; I488-I497 HydrophobicContact CG1-CD1 4.09Å; I488-I497 HydrophobicContact CG2-CD1 3.71Å; I488-I500 HydrophobicContact CG2-CD1 3.92Å; I488-L516 HydrophobicContact CD1-CB 4.43Å; I488-L516 HydrophobicContact CD1-CD1 4.1Å; I488-T517 HydrophobicContact CG2-CG2 3.55Å
489	K	93.9	Very high	94.4	Very high	97 Å²	97	54.2 Å²	54.2	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-65.6	-39.4	178.7	-71.9	171.9	-176.9	171.9	0	111.9	V485 D486 W487 T517 I519	V485-K489 HydrophobicContact CG1-CD 4.27Å; V485-K489 WeakPolarHBondContact O-CG 3.38Å; V485-K489 PolarHBondContact O-N 2.81Å; V485-K489 VanDerWaalsContact O-N 3.14Å; D486-K489 PolarHBondContact O-N 3.28Å; W487-K489 PolarHBondContact O-N 3.28Å; K489-T517 VanDerWaalsContact CE-O 3.31Å; K489-T517 WeakPolarHBondContact CE-O 3.26Å; K489-I519 PolarHBondContact NZ-O 3.13Å
490	A	94.1	Very high	94.5	Very high	78 Å²	78	53.2 Å²	53.2	65%	0.645	29%	0.291	S	S	*	.	H	α-helix	trans	-73.7	-36.9	-179.5	0	0	0	0	0	113.2	D486 W487	D486-A490 WeakPolarHBondContact O-CB 3.47Å; D486-A490 PolarHBondContact O-N 3.28Å; W487-A490 PolarHBondContact O-N 3.31Å
491	N	94.9	Very high	94.6	Very high	48 Å²	48	52.4 Å²	52.4	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-105.1	-5.1	-172.4	-64.8	-80	0	0	0	114.3	W487 Q493 T494 V495	W487-N491 HydrophobicContact CD2-CB 4.28Å; W487-N491 HydrophobicContact CE3-CB 4.36Å; W487-N491 HydrophobicContact CH2-CB 4.15Å; W487-N491 HydrophobicContact CZ2-CB 4.08Å; W487-N491 HydrophobicContact CZ3-CB 4.29Å; W487-N491 PolarHBondContact NE1-ND2 3Å; W487-N491 WeakPolarHBondContact O-CB 3.26Å; W487-N491 PolarHBondContact O-N 2.99Å; W487-N491 PolarHBondContact O-ND2 3.17Å; N491-Q493 PolarHBondContact O-N 2.77Å; N491-T494 PolarHBondContact O-N 2.81Å; N491-T494 PolarHBondContact O-OG1 3.28Å; N491-V495 HydrophobicContact CB-CG2 4.18Å; N491-V495 PolarHBondContact O-N 2.78Å
492	G	89.4	Confident	94.8	Very high	36 Å²	36	55.5 Å²	55.5	37%	0.371	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-9.1	-176.7	0	0	0	0	0	115.9	I488	I488-G492 WeakPolarHBondContact O-CA 3.33Å; I488-G492 PolarHBondContact O-N 3.16Å
493	Q	90.1	Very high	94.9	Very high	188 Å²	188	53.9 Å²	53.9	88%	0.879	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-22.5	172	-62	-59.4	-50.7	0	0	113	N491	N491-Q493 PolarHBondContact O-N 2.77Å
494	T	93.3	Very high	95.1	Very high	107 Å²	107	54.3 Å²	54.3	66%	0.656	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-34.3	-177.3	51.7	0	0	0	0	112	N491	N491-T494 PolarHBondContact O-N 2.81Å; N491-T494 PolarHBondContact O-OG1 3.28Å
495	V	96.8	Very high	95.1	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.042	30%	0.3	C	S	.	.	S	Bend	trans	-105.3	125.6	177.5	-173.9	0	0	0	0	109.2	L465 L468 W487 N491 I497	L465-V495 HydrophobicContact CD2-CG1 4.38Å; L465-V495 HydrophobicContact CG-CG1 4.27Å; L468-V495 HydrophobicContact CB-CG1 4.11Å; W487-V495 HydrophobicContact CH2-CB 4.33Å; W487-V495 HydrophobicContact CH2-CG1 4.26Å; W487-V495 HydrophobicContact CH2-CG2 4.08Å; W487-V495 HydrophobicContact CZ2-CG2 4.45Å; N491-V495 HydrophobicContact CB-CG2 4.18Å; N491-V495 PolarHBondContact O-N 2.78Å; V495-I497 PolarHBondContact O-N 3.06Å
496	T	97.3	Very high	95.3	Very high	82 Å²	82	58.6 Å²	58.6	50%	0.503	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	108.9	172.2	-58.6	0	0	0	0	109	R466 R467 L468	R466-T496 PolarHBondContact O-N 3.04Å; R467-T496 WeakPolarHBondContact CA-O 3.3Å; L468-T496 PolarHBondContact N-O 2.82Å
497	I	96.3	Very high	95.3	Very high	22 Å²	22	59.7 Å²	59.7	11%	0.113	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	102.3	175.8	-51.8	168.6	0	0	0	109	L468 W487 I488 V495 I500	L468-I497 CarbonylContact O-C 3.03Å; L468-I497 VanDerWaalsContact O-CA 3.3Å; L468-I497 WeakPolarHBondContact O-CA 3.01Å; W487-I497 HydrophobicContact CZ3-CD1 4.49Å; I488-I497 HydrophobicContact CB-CD1 4.19Å; I488-I497 HydrophobicContact CG1-CD1 4.09Å; I488-I497 HydrophobicContact CG2-CD1 3.71Å; V495-I497 PolarHBondContact O-N 3.06Å; I497-I500 HydrophobicContact CB-CB 4.38Å; I497-I500 HydrophobicContact CB-CD1 4.15Å; I497-I500 HydrophobicContact CD1-CD1 4.26Å; I497-I500 HydrophobicContact CG2-CB 4.19Å; I497-I500 HydrophobicContact CG2-CD1 3.61Å; I497-I500 HydrophobicContact CG2-CG1 4.41Å
498	N	96.7	Very high	95.3	Very high	49 Å²	49	59.3 Å²	59.3	26%	0.262	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	138.8	-179.8	-71.4	-20.9	0	0	0	110.1	L468 D469 I500	L468-N498 PolarHBondContact O-N 3.19Å; D469-N498 HydrophobicContact CB-CB 3.88Å; D469-N498 WeakPolarHBondContact OD2-CB 3.24Å; N498-I500 PolarHBondContact O-N 3.04Å; N498-I500 VanDerWaalsContact O-N 3.11Å
499	R	95.8	Very high	95.2	Very high	73 Å²	73	62.8 Å²	62.8	28%	0.275	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	38.7	177.7	-63.2	-166.3	172.5	159.8	-3.1	114.2	N501 D502 T503 S564	R499-N501 PolarHBondContact O-N 2.84Å; R499-D502 HydrophobicContact CB-CB 4.28Å; R499-D502 WeakPolarHBondContact O-CA 3.37Å; R499-D502 WeakPolarHBondContact O-CB 3.19Å; R499-D502 PolarHBondContact O-N 3.07Å; R499-T503 PolarHBondContact O-N 3.27Å; R499-S564 PolarHBondContact NH2-OG 3.16Å
500	I	95.3	Very high	95.3	Very high	42 Å²	42	63 Å²	63	22%	0.215	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-55.5	-28.9	179.8	-170.8	64.2	0	0	0	114	I488 I497 N498 D502 T503 T517	I488-I500 HydrophobicContact CG2-CD1 3.92Å; I497-I500 HydrophobicContact CB-CB 4.38Å; I497-I500 HydrophobicContact CB-CD1 4.15Å; I497-I500 HydrophobicContact CD1-CD1 4.26Å; I497-I500 HydrophobicContact CG2-CB 4.19Å; I497-I500 HydrophobicContact CG2-CD1 3.61Å; I497-I500 HydrophobicContact CG2-CG1 4.41Å; N498-I500 PolarHBondContact O-N 3.04Å; N498-I500 VanDerWaalsContact O-N 3.11Å; I500-D502 PolarHBondContact O-N 3Å; I500-T503 WeakPolarHBondContact O-CB 3.4Å; I500-T503 PolarHBondContact O-N 2.99Å; I500-T517 HydrophobicContact CD1-CG2 3.73Å; I500-T517 HydrophobicContact CG1-CG2 3.59Å
501	N	94.8	Very high	95.3	Very high	88 Å²	88	59.8 Å²	59.8	47%	0.471	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-69.2	-22.1	176.1	-72.5	-32.1	0	0	0	113.4	R499 R515	R499-N501 PolarHBondContact O-N 2.84Å; N501-R515 PolarHBondContact OD1-NH1 3.4Å
502	D	97.3	Very high	95.4	Very high	65 Å²	65	64.6 Å²	64.6	35%	0.348	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-96.1	-0.1	177.1	-56.3	-61	0	0	0	112	F472 R499 I500 T504	F472-D502 HydrophobicContact CD1-CB 4.38Å; F472-D502 HydrophobicContact CD2-CB 4.42Å; F472-D502 HydrophobicContact CE1-CB 3.79Å; F472-D502 HydrophobicContact CE2-CB 3.84Å; F472-D502 HydrophobicContact CZ-CB 3.49Å; F472-D502 VanDerWaalsContact CZ-CB 3.49Å; F472-D502 VanDerWaalsContact CZ-CG 3.47Å; F472-D502 PolarHBondContact N-O 3.11Å; R499-D502 HydrophobicContact CB-CB 4.28Å; R499-D502 WeakPolarHBondContact O-CA 3.37Å; R499-D502 WeakPolarHBondContact O-CB 3.19Å; R499-D502 PolarHBondContact O-N 3.07Å; I500-D502 PolarHBondContact O-N 3Å; D502-T504 PolarHBondContact O-N 3.13Å
503	T	97.2	Very high	95.7	Very high	0 Å²	0	65 Å²	65	0%	0	35%	0.353	C	S	.	.			trans	-86	85.8	170.9	-47.6	0	0	0	0	109.4	I470 R499 I500 L516	I470-T503 HydrophobicContact CD1-CG2 3.89Å; I470-T503 HydrophobicContact CG1-CG2 3.91Å; R499-T503 PolarHBondContact O-N 3.27Å; I500-T503 WeakPolarHBondContact O-CB 3.4Å; I500-T503 PolarHBondContact O-N 2.99Å; T503-L516 HydrophobicContact CG2-CD1 3.54Å; T503-L516 HydrophobicContact CG2-CG 4.09Å; T503-L516 PolarHBondContact O-N 3.05Å
504	T	97.4	Very high	95.9	Very high	43 Å²	43	59.1 Å²	59.1	26%	0.264	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-119	158.2	-172.7	60.2	0	0	0	0	112.4	D502 G513 D514 R515	D502-T504 PolarHBondContact O-N 3.13Å; T504-G513 WeakPolarHBondContact CG2-O 3.45Å; T504-D514 CarbonylContact C-O 3.59Å; T504-D514 WeakPolarHBondContact CA-O 3.32Å; T504-D514 WeakPolarHBondContact CB-O 3.4Å; T504-R515 HydrophobicContact CG2-CG 4.11Å
505	C	97.7	Very high	96.1	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.014	32%	0.318	C	S	.	.			trans	-71.3	137.9	172.8	-66.1	0	0	0	0	111.3	C477 L511 R512 G513 D514 I519	C477-C505 HydrophobicContact CB-CB 3.82Å; C477-C505 WeakPolarHBondContact CB-SG 3.45Å; C477-C505 WeakPolarHBondContact SG-CA 3.35Å; C477-C505 WeakPolarHBondContact SG-CB 3.28Å; C477-C505 CovalentContact SG-SG 2Å; C477-C505 PolarHBondContact SG-SG 3.49Å; C505-L511 HydrophobicContact CB-CB 4.13Å; C505-L511 VanDerWaalsContact CB-O 3.23Å; C505-L511 WeakPolarHBondContact CB-O 3.39Å; C505-R512 CarbonylContact O-C 3.47Å; C505-R512 WeakPolarHBondContact O-CA 3.35Å; C505-G513 PolarHBondContact O-N 3.36Å; C505-D514 PolarHBondContact N-O 3.33Å; C505-I519 WeakPolarHBondContact SG-CD1 3.47Å
506	H	97.4	Very high	95.9	Very high	88 Å²	88	59.5 Å²	59.5	41%	0.407	32%	0.317	S	S	.	.			trans	-98.3	-34.9	170.3	176.1	-107.8	0	0	0	112.1	P474 W475 R512	P474-H506 VanDerWaalsContact C-CB 3.48Å; P474-H506 HydrophobicContact CB-CB 4.14Å; W475-H506 PolarHBondContact O-N 2.97Å; H506-R512 PolarHBondContact O-NE 3.09Å; H506-R512 VanDerWaalsContact O-NE 3.09Å
507	W	94.9	Very high	95.6	Very high	99 Å²	99	58 Å²	58	38%	0.375	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-137.2	149.5	178.7	-170.9	94	0	0	0	109.9	W475 Q476 C477 N478	W475-W507 PolarHBondContact O-N 2.77Å; Q476-W507 HydrophobicContact CB-CE3 4.43Å; Q476-W507 HydrophobicContact CG-CB 4.25Å; C477-W507 WeakPolarHBondContact CB-O 3.48Å; C477-W507 PolarHBondContact N-O 2.84Å; N478-W507 HydrophobicContact CB-CZ3 4.32Å
508	P	95.6	Very high	95.4	Very high	27 Å²	27	61 Å²	61	18%	0.175	33%	0.33	C	S	.	.	S	Bend	cis	-69.2	165.3	-4.5	31.3	-36.8	0	0	0	112.5	C477 S510 L511 R512	C477-P508 VanDerWaalsContact O-CD 3.27Å; C477-P508 WeakPolarHBondContact O-CD 3.18Å; P508-S510 PolarHBondContact O-N 3.12Å; P508-S510 VanDerWaalsContact O-N 3.1Å; P508-L511 HydrophobicContact CG-CB 4.38Å; P508-L511 HydrophobicContact CG-CD1 4.16Å; P508-L511 HydrophobicContact CG-CG 4.14Å; P508-L511 PolarHBondContact O-N 3.19Å; P508-R512 PolarHBondContact O-N 3.09Å
509	A	94	Very high	95.1	Very high	77 Å²	77	58.9 Å²	58.9	64%	0.636	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-55.2	-30.8	-179.1	0	0	0	0	0	113.3	L511 R512	A509-L511 VanDerWaalsContact C-N 3.27Å; A509-L511 PolarHBondContact O-N 3.07Å; A509-R512 PolarHBondContact O-N 2.89Å
510	S	94.7	Very high	94.9	Very high	101 Å²	101	59.7 Å²	59.7	71%	0.706	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-69	-19.9	177.5	58.5	0	0	0	0	114.7	P508	P508-S510 PolarHBondContact O-N 3.12Å; P508-S510 VanDerWaalsContact O-N 3.1Å
511	L	94.9	Very high	94.7	Very high	11 Å²	11	59.3 Å²	59.3	6%	0.058	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-110.9	1.9	178	-62.1	-178.6	0	0	0	111.7	C477 C505 P508 A509 G513 D514 K523 L524	C477-L511 HydrophobicContact CB-CD1 4.02Å; C505-L511 HydrophobicContact CB-CB 4.13Å; C505-L511 VanDerWaalsContact CB-O 3.23Å; C505-L511 WeakPolarHBondContact CB-O 3.39Å; P508-L511 HydrophobicContact CG-CB 4.38Å; P508-L511 HydrophobicContact CG-CD1 4.16Å; P508-L511 HydrophobicContact CG-CG 4.14Å; P508-L511 PolarHBondContact O-N 3.19Å; A509-L511 VanDerWaalsContact C-N 3.27Å; A509-L511 PolarHBondContact O-N 3.07Å; L511-G513 PolarHBondContact O-N 3.44Å; L511-D514 VanDerWaalsContact O-CB 3.24Å; L511-D514 WeakPolarHBondContact O-CB 3.33Å; L511-D514 PolarHBondContact O-N 2.89Å; L511-K523 HydrophobicContact CD2-CD 4.46Å; L511-L524 HydrophobicContact CD1-CD2 4.1Å
512	R	95.9	Very high	94.4	Very high	149 Å²	149	58.5 Å²	58.5	56%	0.562	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	125.8	-173.4	179.2	178.7	-73.5	174.3	-7.2	111.1	C505 H506 P508 A509 D514	C505-R512 CarbonylContact O-C 3.47Å; C505-R512 WeakPolarHBondContact O-CA 3.35Å; H506-R512 PolarHBondContact O-NE 3.09Å; H506-R512 VanDerWaalsContact O-NE 3.09Å; P508-R512 PolarHBondContact O-N 3.09Å; A509-R512 PolarHBondContact O-N 2.89Å; R512-D514 VanDerWaalsContact C-N 3.28Å
513	G	95.7	Very high	94	Very high	44 Å²	44	61.2 Å²	61.2	45%	0.454	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-9.9	-177.7	0	0	0	0	0	114.4	T504 C505 L511	T504-G513 WeakPolarHBondContact CG2-O 3.45Å; C505-G513 PolarHBondContact O-N 3.36Å; L511-G513 PolarHBondContact O-N 3.44Å
514	D	96.2	Very high	93.6	Very high	65 Å²	65	61.6 Å²	61.6	35%	0.348	34%	0.34	S	S	.	.			trans	-66.7	135.5	174	-70.4	-10.2	0	0	0	109.9	T504 C505 L511 R512 I519	T504-D514 CarbonylContact C-O 3.59Å; T504-D514 WeakPolarHBondContact CA-O 3.32Å; T504-D514 WeakPolarHBondContact CB-O 3.4Å; C505-D514 PolarHBondContact N-O 3.33Å; L511-D514 VanDerWaalsContact O-CB 3.24Å; L511-D514 WeakPolarHBondContact O-CB 3.33Å; L511-D514 PolarHBondContact O-N 2.89Å; R512-D514 VanDerWaalsContact C-N 3.28Å; D514-I519 HydrophobicContact CB-CD1 4.05Å; D514-I519 HydrophobicContact CB-CG1 4.07Å
515	R	95.8	Very high	93	Very high	121 Å²	121	68.6 Å²	68.6	46%	0.457	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-73.2	133.7	178.2	-61.7	175.3	-177.3	163.1	5.3	109.8	N501 T504 T517 S518 I519	N501-R515 PolarHBondContact OD1-NH1 3.4Å; T504-R515 HydrophobicContact CG2-CG 4.11Å; R515-T517 PolarHBondContact O-N 2.95Å; R515-T517 VanDerWaalsContact O-N 3.11Å; R515-S518 PolarHBondContact O-N 3.45Å; R515-S518 PolarHBondContact O-OG 2.82Å; R515-I519 WeakPolarHBondContact O-CG1 3.5Å; R515-I519 PolarHBondContact O-N 3.39Å
516	L	93.9	Very high	92	Very high	1 Å²	1	73.6 Å²	73.6	1%	0.005	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-53.1	-38.3	-179.2	-71.2	-174.5	0	0	0	112.7	W475 C477 L481 L484 V485 I488 T503 S518 I519	W475-L516 HydrophobicContact CG-CD1 4.42Å; C477-L516 WeakPolarHBondContact SG-CD2 3.21Å; L481-L516 HydrophobicContact CD2-CD2 3.8Å; L484-L516 HydrophobicContact CD2-CD1 4.34Å; V485-L516 WeakPolarHBondContact CG1-O 3.32Å; V485-L516 HydrophobicContact CG2-CB 4.29Å; V485-L516 HydrophobicContact CG2-CD2 4.09Å; I488-L516 HydrophobicContact CD1-CB 4.43Å; I488-L516 HydrophobicContact CD1-CD1 4.1Å; T503-L516 HydrophobicContact CG2-CD1 3.54Å; T503-L516 HydrophobicContact CG2-CG 4.09Å; T503-L516 PolarHBondContact O-N 3.05Å; L516-S518 VanDerWaalsContact C-N 3.26Å; L516-S518 PolarHBondContact O-N 3.4Å; L516-I519 HydrophobicContact CD2-CD1 4.36Å; L516-I519 PolarHBondContact O-N 3.13Å
517	T	90	Very high	90.3	Very high	52 Å²	52	70.8 Å²	70.8	32%	0.319	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-64.8	-26.6	178.9	48.6	0	0	0	0	114.2	I488 K489 I500 R515	I488-T517 HydrophobicContact CG2-CG2 3.55Å; K489-T517 VanDerWaalsContact CE-O 3.31Å; K489-T517 WeakPolarHBondContact CE-O 3.26Å; I500-T517 HydrophobicContact CD1-CG2 3.73Å; I500-T517 HydrophobicContact CG1-CG2 3.59Å; R515-T517 PolarHBondContact O-N 2.95Å; R515-T517 VanDerWaalsContact O-N 3.11Å
518	S	91.5	Very high	88.4	Confident	84 Å²	84	72.1 Å²	72.1	59%	0.587	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-91.1	-10	-176.2	68.7	0	0	0	0	114	R515 L516	R515-S518 PolarHBondContact O-N 3.45Å; R515-S518 PolarHBondContact O-OG 2.82Å; L516-S518 VanDerWaalsContact C-N 3.26Å; L516-S518 PolarHBondContact O-N 3.4Å
519	I	91.8	Very high	85.8	Confident	5 Å²	5	76.3 Å²	76.3	3%	0.026	44%	0.438	C	S	.	.			trans	-79.2	131.6	-174.2	-67	168.8	0	0	0	110.2	K489 C505 D514 R515 L516 V521 L524	K489-I519 PolarHBondContact NZ-O 3.13Å; C505-I519 WeakPolarHBondContact SG-CD1 3.47Å; D514-I519 HydrophobicContact CB-CD1 4.05Å; D514-I519 HydrophobicContact CB-CG1 4.07Å; R515-I519 WeakPolarHBondContact O-CG1 3.5Å; R515-I519 PolarHBondContact O-N 3.39Å; L516-I519 HydrophobicContact CD2-CD1 4.36Å; L516-I519 PolarHBondContact O-N 3.13Å; I519-V521 PolarHBondContact O-N 3.26Å; I519-L524 HydrophobicContact CG2-CD2 4.02Å; I519-L524 HydrophobicContact CG2-CG 4.09Å
520	D	91.3	Very high	83.1	Confident	90 Å²	90	79.4 Å²	79.4	48%	0.481	44%	0.444	S	S	.	.			trans	-73.8	119.7	162	179.6	4.2	0	0	0	108.6	S522 K523	D520-S522 PolarHBondContact O-N 3.05Å; D520-S522 VanDerWaalsContact O-N 3.07Å; D520-S522 PolarHBondContact OD1-N 3.07Å; D520-S522 VanDerWaalsContact OD1-N 3.08Å; D520-S522 PolarHBondContact OD1-OG 3.1Å; D520-S522 PolarHBondContact OD2-OG 3.33Å; D520-K523 HydrophobicContact CB-CG 4.43Å; D520-K523 VanDerWaalsContact O-CB 3.3Å; D520-K523 WeakPolarHBondContact O-CB 3.45Å; D520-K523 PolarHBondContact O-N 3.26Å
521	V	90.5	Very high	80	Confident	33 Å²	33	82.1 Å²	82.1	20%	0.2	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-55.9	-26.9	-177.8	-177.8	0	0	0	0	111.5	T482 V485 D486 I519 K523 L524	T482-V521 HydrophobicContact CG2-CG1 3.17Å; V485-V521 HydrophobicContact CG1-CG2 4.05Å; D486-V521 WeakPolarHBondContact OD1-CG2 3.15Å; I519-V521 PolarHBondContact O-N 3.26Å; V521-K523 PolarHBondContact O-N 3Å; V521-K523 VanDerWaalsContact O-N 3.09Å; V521-L524 HydrophobicContact CG1-CD1 4.34Å; V521-L524 WeakPolarHBondContact O-CB 3.44Å; V521-L524 PolarHBondContact O-N 3.23Å
522	S	88.4	Confident	77.2	Confident	71 Å²	71	89.6 Å²	89.6	50%	0.497	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-60.3	-19.7	174.8	78.7	0	0	0	0	114.5	D520	D520-S522 PolarHBondContact O-N 3.05Å; D520-S522 VanDerWaalsContact O-N 3.07Å; D520-S522 PolarHBondContact OD1-N 3.07Å; D520-S522 VanDerWaalsContact OD1-N 3.08Å; D520-S522 PolarHBondContact OD1-OG 3.1Å; D520-S522 PolarHBondContact OD2-OG 3.33Å
523	K	89.3	Confident	74	Confident	122 Å²	122	86.6 Å²	86.6	53%	0.53	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-85	-17.9	176	-60.7	-178.7	178.9	179.3	0	113.1	L511 D520 V521 R525	L511-K523 HydrophobicContact CD2-CD 4.46Å; D520-K523 HydrophobicContact CB-CG 4.43Å; D520-K523 VanDerWaalsContact O-CB 3.3Å; D520-K523 WeakPolarHBondContact O-CB 3.45Å; D520-K523 PolarHBondContact O-N 3.26Å; V521-K523 PolarHBondContact O-N 3Å; V521-K523 VanDerWaalsContact O-N 3.09Å; K523-R525 PolarHBondContact O-N 3.27Å; K523-R525 VanDerWaalsContact O-N 3.09Å
524	L	88.9	Confident	70.9	Confident	9 Å²	9	91 Å²	91	5%	0.047	50%	0.502	C	S	.	.			trans	-78.2	89.1	175.3	-59.2	178.3	0	0	0	108.6	C477 V485 L511 I519 V521	C477-L524 HydrophobicContact CB-CD2 3.6Å; C477-L524 WeakPolarHBondContact O-CD2 3.48Å; V485-L524 HydrophobicContact CB-CD1 4.46Å; V485-L524 HydrophobicContact CG2-CD1 4Å; L511-L524 HydrophobicContact CD1-CD2 4.1Å; I519-L524 HydrophobicContact CG2-CD2 4.02Å; I519-L524 HydrophobicContact CG2-CG 4.09Å; V521-L524 HydrophobicContact CG1-CD1 4.34Å; V521-L524 WeakPolarHBondContact O-CB 3.44Å; V521-L524 PolarHBondContact O-N 3.23Å
525	R	85.2	Confident	67.8	Low	190 Å²	190	93.5 Å²	93.5	72%	0.717	52%	0.519	S	S	*	.			trans	-107.8	158.8	-178.2	-62.6	-178.2	-178.9	177.1	-1.3	110.9	K523 G527	K523-R525 PolarHBondContact O-N 3.27Å; K523-R525 VanDerWaalsContact O-N 3.09Å; R525-G527 PolarHBondContact O-N 3.09Å
526	T	75.7	Confident	64.5	Low	106 Å²	106	92 Å²	92	65%	0.65	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-54.1	118.3	167.6	41.3	0	0	0	0	110.3	D479	D479-T526 WeakPolarHBondContact OD1-CA 3.44Å; D479-T526 WeakPolarHBondContact OD1-CG2 3.48Å; D479-T526 PolarHBondContact OD1-N 3.28Å; D479-T526 WeakPolarHBondContact OD2-CG2 3.37Å
527	G	61.9	Low	61.5	Low	29 Å²	29	95.9 Å²	95.9	30%	0.299	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-68.5	152.8	165.6	0	0	0	0	0	110.8	R525 S529	R525-G527 PolarHBondContact O-N 3.09Å; G527-S529 PolarHBondContact O-N 3.12Å; G527-S529 VanDerWaalsContact O-N 3.13Å
528	P	54.8	Low	58.5	Low	127 Å²	127	102.5 Å²	102.5	83%	0.825	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-59.6	119.4	169.1	23.5	-29.9	0	0	0	109.5	N530	P528-N530 PolarHBondContact O-N 2.79Å
529	S	41.5	Very low	55.6	Low	115 Å²	115	104.9 Å²	104.9	80%	0.804	60%	0.604	S	S	*	*	S	Bend	trans	-61.8	115	175.1	-171.5	0	0	0	0	109.2	G527	G527-S529 PolarHBondContact O-N 3.12Å; G527-S529 VanDerWaalsContact O-N 3.13Å
530	N	36.8	Very low	52.6	Low	142 Å²	142	109.1 Å²	109.1	76%	0.759	64%	0.639	S	S	*	*	S	Bend	trans	39.2	86.8	168.5	-73.1	-14.7	0	0	0	117.3	P528	P528-N530 PolarHBondContact O-N 2.79Å
531	Q	30.6	Very low	49.4	Very low	159 Å²	159	110.8 Å²	110.8	74%	0.743	66%	0.658	S	S	*	*				-138.3	105.3	126.8	-71.5	-164.9	-12.9	0	0	108	T533	Q531-T533 PolarHBondContact O-N 3.24Å; Q531-T533 PolarHBondContact O-OG1 2.8Å
532	L	36.1	Very low	46.4	Very low	167 Å²	167	116.7 Å²	116.7	87%	0.874	69%	0.689	S	S	*	*			trans	-64.7	71.2	152.2	-86.2	122.6	0	0	0	107.2	T534	L532-T534 VanDerWaalsContact C-N 3.33Å; L532-T534 PolarHBondContact O-N 3.39Å; L532-T534 VanDerWaalsContact O-N 3.13Å
533	T	28.4	Very low	43.3	Very low	87 Å²	87	122.2 Å²	122.2	53%	0.534	71%	0.707	S	S	.	*			trans	-78.6	94.8	165.8	7.5	0	0	0	0	105.9	Q531 T535	Q531-T533 PolarHBondContact O-N 3.24Å; Q531-T533 PolarHBondContact O-OG1 2.8Å; T533-T535 PolarHBondContact O-N 3.39Å; T533-T535 PolarHBondContact O-OG1 3.42Å
534	T	29.8	Very low	40.2	Very low	137 Å²	137	121.7 Å²	121.7	84%	0.84	72%	0.718	S	S	*	*			trans	-58.9	75.8	152.3	41.2	0	0	0	0	107.9	L532 A536	L532-T534 VanDerWaalsContact C-N 3.33Å; L532-T534 PolarHBondContact O-N 3.39Å; L532-T534 VanDerWaalsContact O-N 3.13Å; T534-A536 PolarHBondContact O-N 2.78Å
535	T	30.5	Very low	37.1	Very low	116 Å²	116	126.7 Å²	126.7	71%	0.712	75%	0.749	S	S	*	*			trans	-79.5	89.9	163.2	-0.2	0	0	0	0	105.6	T533 A537	T533-T535 PolarHBondContact O-N 3.39Å; T533-T535 PolarHBondContact O-OG1 3.42Å; T535-A537 PolarHBondContact O-N 3.27Å
536	A	28.3	Very low	34	Very low	90 Å²	90	123.8 Å²	123.8	74%	0.744	75%	0.753	S	S	*	*			trans	-57.6	91.1	152.8	0	0	0	0	0	106.4	T534 E538	T534-A536 PolarHBondContact O-N 2.78Å; A536-E538 PolarHBondContact O-N 3.26Å
537	A	30.6	Very low	31.6	Very low	83 Å²	83	128.7 Å²	128.7	69%	0.686	77%	0.765	S	S	*	*			trans	-74.4	90.6	166.5	0	0	0	0	0	106.6	T535 T539	T535-A537 PolarHBondContact O-N 3.27Å; A537-T539 PolarHBondContact O-N 3.03Å; A537-T539 VanDerWaalsContact O-N 3.08Å
538	E	26.5	Very low	29.6	Very low	191 Å²	191	132 Å²	132	89%	0.893	79%	0.79	S	S	*	*			trans	-40.9	110.6	160.3	-65.6	172.1	158.5	0	0	109	A536	A536-E538 PolarHBondContact O-N 3.26Å
539	T	30.8	Very low	28.3	Very low	133 Å²	133	130.1 Å²	130.1	82%	0.816	79%	0.785	S	S	*	*			trans	-108.8	120	161.2	-38.1	0	0	0	0	107.1	A537	A537-T539 PolarHBondContact O-N 3.03Å; A537-T539 VanDerWaalsContact O-N 3.08Å
540	A	28.5	Very low	27.4	Very low	94 Å²	94	130.4 Å²	130.4	78%	0.777	79%	0.787	S	S	*	*			trans	-34.5	126	-174.8	0	0	0	0	0	115.7
541	S	24	Very low	26.8	Very low	125 Å²	125	127.4 Å²	127.4	87%	0.874	79%	0.79	S	S	*	*			trans	-73.7	113.6	152.8	-80.6	0	0	0	0	108.6
542	D	27.8	Very low	26.5	Very low	157 Å²	157	123.5 Å²	123.5	84%	0.84	79%	0.792	S	S	*	*			trans	-130.2	141.2	151.2	-116.3	-22.6	0	0	0	109.6
543	Q	23	Very low	26.1	Very low	187 Å²	187	125.8 Å²	125.8	87%	0.874	80%	0.796	S	S	*	*			trans	-78.6	134	-158.4	-60.2	168.5	-3.4	0	0	112.9
544	S	25.3	Very low	25.9	Very low	111 Å²	111	132 Å²	132	78%	0.776	82%	0.816	S	S	*	*			trans	-163.7	110.4	144.1	-155.2	0	0	0	0	113.6
545	T	22.6	Very low	25.6	Very low	114 Å²	114	128.6 Å²	128.6	70%	0.699	81%	0.808	S	S	*	*			trans	12.1	127.7	145.5	49.2	0	0	0	0	122.6
546	T	20.9	Very low	25.5	Very low	129 Å²	129	128.4 Å²	128.4	79%	0.791	81%	0.811	S	S	*	*			trans	53.6	110.1	135.5	58	0	0	0	0	121.1
547	K	24.7	Very low	25.6	Very low	209 Å²	209	130.8 Å²	130.8	91%	0.909	81%	0.81	S	S	*	*				-169.1	131.1	121.3	-108.1	170.6	-175.7	177.5	0	112.1
548	A	20.5	Very low	25.3	Very low	100 Å²	100	135.3 Å²	135.3	83%	0.826	82%	0.822	S	S	*	*			trans	-77.6	134.2	164.5	0	0	0	0	0	110.4
549	A	26.4	Very low	25.6	Very low	87 Å²	87	131.3 Å²	131.3	72%	0.719	81%	0.814	S	S	*	*			trans	-173.5	98.1	156.5	0	0	0	0	0	106.3
550	S	23.7	Very low	25.4	Very low	120 Å²	120	130.4 Å²	130.4	84%	0.839	81%	0.814	S	S	*	*				72.1	119.3	98.7	70.3	0	0	0	0	114.9
551	G	23.6	Very low	25.5	Very low	80 Å²	80	131.4 Å²	131.4	83%	0.825	82%	0.815	S	S	*	*			trans	114.5	99.8	139.1	0	0	0	0	0	117.2
552	G	25.1	Very low	25.7	Very low	77 Å²	77	130 Å²	130	79%	0.794	81%	0.806	S	S	*	*				74.7	95.9	126.6	0	0	0	0	0	118.2
553	F	27.2	Very low	25.9	Very low	215 Å²	215	128 Å²	128	94%	0.943	80%	0.804	S	S	*	*			trans	-120.8	77.8	155.2	-143.2	-95.2	0	0	0	109.1
554	F	23.4	Very low	26.4	Very low	217 Å²	217	122.8 Å²	122.8	95%	0.952	79%	0.788	S	S	*	*			trans	-134.2	126.2	162	-97.2	-78.8	0	0	0	107.2
555	G	25.2	Very low	26.5	Very low	65 Å²	65	123.3 Å²	123.3	67%	0.67	79%	0.791	S	S	*	*			trans	169.1	83.4	172.2	0	0	0	0	0	114.5
556	S	27.1	Very low	26.9	Very low	112 Å²	112	122.6 Å²	122.6	78%	0.783	79%	0.791	S	S	*	*			trans	65.2	136.4	150.5	62.1	0	0	0	0	117.1
557	I	30.7	Very low	27.4	Very low	141 Å²	141	122 Å²	122	72%	0.723	79%	0.792	S	S	*	*				-150.4	121.7	66.1	-76.8	152.8	0	0	0	110.1	S559	I557-S559 PolarHBondContact O-N 3.02Å
558	L	25.2	Very low	28.2	Very low	178 Å²	178	115.6 Å²	115.6	93%	0.932	77%	0.768	S	S	*	*			trans	-58.4	110.7	159.2	-77.9	144.9	0	0	0	108.4
559	S	32.3	Very low	29.5	Very low	106 Å²	106	115.7 Å²	115.7	74%	0.741	76%	0.762	S	S	*	*			trans	-102.2	109.4	165	-54.8	0	0	0	0	107.5	I557 S561	I557-S559 PolarHBondContact O-N 3.02Å; S559-S561 PolarHBondContact O-N 2.83Å
560	S	27.3	Very low	30.8	Very low	114 Å²	114	112.1 Å²	112.1	80%	0.797	73%	0.731	S	S	*	*			trans	-47	116	174.5	47.2	0	0	0	0	111.9	S562	S560-S562 PolarHBondContact O-N 2.98Å; S560-S562 VanDerWaalsContact O-N 3.12Å
561	S	29.2	Very low	32.5	Very low	115 Å²	115	114.4 Å²	114.4	80%	0.804	72%	0.722	S	S	*	*			trans	-71	99.7	164.4	49.7	0	0	0	0	109	S559 S563	S559-S561 PolarHBondContact O-N 2.83Å; S561-S563 PolarHBondContact O-N 2.87Å
562	S	28.6	Very low	34	Very low	97 Å²	97	111.4 Å²	111.4	68%	0.678	69%	0.687	S	S	*	*			trans	-66.4	99.1	160	51.5	0	0	0	0	108	S560 S564	S560-S562 PolarHBondContact O-N 2.98Å; S560-S562 VanDerWaalsContact O-N 3.12Å; S562-S564 PolarHBondContact O-N 2.92Å; S562-S564 VanDerWaalsContact O-N 3.11Å
563	S	31.7	Very low	35.3	Very low	114 Å²	114	112.6 Å²	112.6	80%	0.797	68%	0.68	S	S	*	*			trans	-58.2	108.2	167.3	47.5	0	0	0	0	109	S561 S565	S561-S563 PolarHBondContact O-N 2.87Å; S563-S565 PolarHBondContact O-N 2.82Å
564	S	33.7	Very low	35.9	Very low	77 Å²	77	107.8 Å²	107.8	54%	0.538	66%	0.66	S	S	.	*			trans	-67.3	120	160	48.4	0	0	0	0	107.6	R499 S562 S566	R499-S564 PolarHBondContact NH2-OG 3.16Å; S562-S564 PolarHBondContact O-N 2.92Å; S562-S564 VanDerWaalsContact O-N 3.11Å; S564-S566 PolarHBondContact O-N 3.03Å
565	S	26.6	Very low	36.5	Very low	122 Å²	122	104.9 Å²	104.9	85%	0.853	65%	0.649	S	S	*	*			trans	-65.5	92.9	170.6	50.8	0	0	0	0	110	S563	S563-S565 PolarHBondContact O-N 2.82Å
566	S	33	Very low	36.7	Very low	100 Å²	100	111.6 Å²	111.6	70%	0.699	66%	0.663	S	S	*	*			trans	-88.7	119.1	143.8	50.9	0	0	0	0	106.2	S564 D568	S564-S566 PolarHBondContact O-N 3.03Å; S566-D568 PolarHBondContact O-N 3.14Å
567	S	30.6	Very low	36.9	Very low	116 Å²	116	109.7 Å²	109.7	81%	0.811	66%	0.661	S	S	*	*			trans	-67.9	80.2	170	44.9	0	0	0	0	108.4	S569	S567-S569 VanDerWaalsContact C-N 3.3Å; S567-S569 PolarHBondContact O-N 2.97Å; S567-S569 VanDerWaalsContact O-N 3.1Å
568	D	40.9	Very low	37	Very low	74 Å²	74	107 Å²	107	40%	0.396	66%	0.66	S	S	.	*			trans	-82.6	80.1	175.7	-160.1	3.7	0	0	0	108.3	S566 D570	S566-D568 PolarHBondContact O-N 3.14Å; D568-D570 PolarHBondContact O-N 2.98Å
569	S	49.1	Very low	37.5	Very low	102 Å²	102	104.6 Å²	104.6	71%	0.713	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-6	174.6	40.6	0	0	0	0	113.3	R302 S567	R302-S569 PolarHBondContact NH1-O 3.09Å; S567-S569 VanDerWaalsContact C-N 3.3Å; S567-S569 PolarHBondContact O-N 2.97Å; S567-S569 VanDerWaalsContact O-N 3.1Å
570	D	52.4	Low	37.5	Very low	12 Å²	12	104.9 Å²	104.9	6%	0.064	65%	0.647	C	S	.	*	T	Hydrogen-bonded Turn	trans	-99.4	-3.2	-175	-80.2	-23.8	0	0	0	115.2	R302 H348 D568 P572	R302-D570 IonicContact NH1-OD1 3.86Å; R302-D570 PolarHBondContact NH1-OD1 2.91Å; H348-D570 IonicContact CE1-OD2 3.47Å; H348-D570 PolarHBondContact CE1-OD2 2.94Å; H348-D570 IonicContact CG-OD2 3.94Å; H348-D570 IonicContact ND1-OD1 2.78Å; H348-D570 IonicContact ND1-OD2 3.88Å; H348-D570 PolarHBondContact ND1-OD2 3.04Å; D568-D570 PolarHBondContact O-N 2.98Å; D570-P572 WeakPolarHBondContact O-CD 3.28Å; D570-P572 VanDerWaalsContact O-N 3.12Å
571	R	59.4	Low	37.7	Very low	169 Å²	169	105.7 Å²	105.7	64%	0.638	65%	0.649	S	S	*	*			trans	-63	116.7	179	-174.9	174.9	-178.2	158.4	3.8	110.9	W351 T573	W351-R571 HydrophobicContact CZ2-CG 4.17Å; R571-T573 PolarHBondContact O-N 3.25Å
572	P	56	Low	37.7	Very low	16 Å²	16	105.1 Å²	105.1	10%	0.104	65%	0.652	C	S	.	*			trans	-59.9	126.9	173.6	-27	39.1	0	0	0	111.7	V303 W351 D570 H574	V303-P572 HydrophobicContact CG2-CB 3.72Å; V303-P572 HydrophobicContact CG2-CG 4.49Å; W351-P572 HydrophobicContact CB-CG 4.04Å; W351-P572 HydrophobicContact CD2-CG 4.36Å; W351-P572 HydrophobicContact CG-CG 3.91Å; D570-P572 WeakPolarHBondContact O-CD 3.28Å; D570-P572 VanDerWaalsContact O-N 3.12Å; P572-H574 PolarHBondContact O-N 2.84Å
573	T	51.5	Low	37.8	Very low	103 Å²	103	106.3 Å²	106.3	63%	0.632	66%	0.66	S	S	*	*			trans	-89.2	91.5	164	45	0	0	0	0	109.3	R571	R571-T573 PolarHBondContact O-N 3.25Å
574	H	40.5	Very low	37.6	Very low	113 Å²	113	109.5 Å²	109.5	52%	0.523	66%	0.662	S	S	.	*			trans	-74	133.3	164.7	-65.7	-82.2	0	0	0	109.5	P572	P572-H574 PolarHBondContact O-N 2.84Å
575	Q	36.2	Very low	37.3	Very low	156 Å²	156	115.4 Å²	115.4	73%	0.729	68%	0.681	S	S	*	*			trans	-76.5	123.7	155.3	-80.8	-179.2	-10	0	0	107.4	G577	Q575-G577 PolarHBondContact O-N 3.31Å
576	E	28.9	Very low	37.2	Very low	206 Å²	206	114.4 Å²	114.4	96%	0.963	68%	0.681	S	S	*	*	S	Bend	trans	-60.7	107.8	178.3	-81.4	175.1	148.4	0	0	110.5
577	G	30.1	Very low	36.8	Very low	73 Å²	73	119 Å²	119	75%	0.753	69%	0.691	S	S	*	*			trans	149.7	65.6	166	0	0	0	0	0	116.2	Q575	Q575-G577 PolarHBondContact O-N 3.31Å
578	A	33.1	Very low	36.5	Very low	85 Å²	85	120.9 Å²	120.9	70%	0.702	69%	0.692	S	S	*	*			trans	-174.1	100.9	152.1	0	0	0	0	0	111.9
579	L	37.2	Very low	35.9	Very low	127 Å²	127	121.6 Å²	121.6	67%	0.665	70%	0.703	S	S	*	*			trans	160.2	141.1	134.5	-87.4	152.5	0	0	0	110.9	L305	L305-L579 HydrophobicContact CD2-CD1 4.02Å
580	P	31.3	Very low	35.2	Very low	111 Å²	111	125.1 Å²	125.1	72%	0.721	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-84.3	161.1	178.7	30.2	-22.7	0	0	0	112.7
581	P	31.3	Very low	34.5	Very low	131 Å²	131	130.6 Å²	130.6	85%	0.851	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-77.9	148.6	-165.1	30.8	-35	0	0	0	114
582	A	30.4	Very low	34.2	Very low	104 Å²	104	127 Å²	127	86%	0.86	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-76.3	131.5	172.2	0	0	0	0	0	111.1
583	S	29.6	Very low	34.4	Very low	122 Å²	122	133.5 Å²	133.5	85%	0.853	78%	0.777	S	S	*	*			trans	-89.5	109.4	174	53.9	0	0	0	0	110.4
584	E	27.6	Very low	35.4	Very low	180 Å²	180	133.9 Å²	133.9	84%	0.841	78%	0.779	S	S	*	*			trans	-103.3	120.1	158.5	-79.6	177.6	167.9	0	0	108
585	Q	27	Very low	37.1	Very low	201 Å²	201	130.5 Å²	130.5	94%	0.939	78%	0.775	S	S	*	*			trans	-164.9	132.4	137.1	-108.3	171.6	12	0	0	111
586	A	25.8	Very low	39.3	Very low	102 Å²	102	127 Å²	127	84%	0.843	77%	0.765	S	S	*	*			trans	-73.8	154.6	-170.1	0	0	0	0	0	114
587	E	23.5	Very low	41.9	Very low	196 Å²	196	121.6 Å²	121.6	92%	0.916	75%	0.745	S	S	*	*			trans	-41.6	129.5	178.4	-60.8	171.2	160.9	0	0	115.8
588	N	24.7	Very low	44.7	Very low	155 Å²	155	123 Å²	123	83%	0.829	74%	0.735	S	S	*	*			trans	-144.3	133.2	132.6	-151.7	-4.4	0	0	0	111.8
589	S	27.8	Very low	47.4	Very low	89 Å²	89	124.3 Å²	124.3	62%	0.622	73%	0.729	S	S	*	*			trans	-33.5	130.5	179.2	53.7	0	0	0	0	119.3
590	Q	34.2	Very low	50	Low	176 Å²	176	121.8 Å²	121.8	82%	0.822	72%	0.718	S	S	*	*				174.4	135.5	108	-95.5	172.9	5.1	0	0	111.4	S592	Q590-S592 PolarHBondContact O-N 3.36Å
591	S	38.4	Very low	52.8	Low	127 Å²	127	119.9 Å²	119.9	89%	0.888	70%	0.704	S	S	*	*	S	Bend	trans	-59.4	96.1	-174.3	54.3	0	0	0	0	114.2
592	S	53.1	Low	55.8	Low	95 Å²	95	117.5 Å²	117.5	66%	0.664	69%	0.687	S	S	*	*			trans	-143	3.7	149.2	88.5	0	0	0	0	113.9	Q590	Q590-S592 PolarHBondContact O-N 3.36Å
593	E	61.3	Low	58.8	Low	151 Å²	151	116.1 Å²	116.1	71%	0.706	67%	0.668	S	S	*	*	H	α-helix	trans	-76	-28.4	-167.7	-65.7	-170.8	151.1	0	0	114.9	G595 T596 V597	E593-G595 VanDerWaalsContact C-N 3.26Å; E593-G595 PolarHBondContact O-N 3.08Å; E593-T596 PolarHBondContact O-N 3.41Å; E593-T596 VanDerWaalsContact O-N 3.13Å; E593-V597 PolarHBondContact O-N 2.9Å; E593-V597 VanDerWaalsContact O-N 3.14Å
594	V	70.8	Confident	61.9	Low	111 Å²	111	114.7 Å²	114.7	67%	0.673	65%	0.65	S	S	*	*	H	α-helix	trans	-62.7	-35.2	-176.7	-174.5	0	0	0	0	111.6	I598	V594-I598 HydrophobicContact CG1-CD1 4.04Å; V594-I598 WeakPolarHBondContact O-CG1 3.5Å; V594-I598 PolarHBondContact O-N 3.41Å
595	G	77.1	Confident	65	Low	42 Å²	42	110.7 Å²	110.7	43%	0.433	63%	0.634	S	S	.	*	H	α-helix	trans	-64.4	-41.4	176.7	0	0	0	0	0	112.6	E593 I599	E593-G595 VanDerWaalsContact C-N 3.26Å; E593-G595 PolarHBondContact O-N 3.08Å; G595-I599 WeakPolarHBondContact O-CD1 3.46Å; G595-I599 VanDerWaalsContact O-CG1 3.26Å; G595-I599 WeakPolarHBondContact O-CG1 3.38Å; G595-I599 PolarHBondContact O-N 3.28Å; G595-I599 VanDerWaalsContact O-N 3.15Å
596	T	81.9	Confident	68.2	Low	84 Å²	84	103.8 Å²	103.8	52%	0.515	61%	0.608	S	S	.	*	H	α-helix	trans	-68.7	-42	-178.9	-49.5	0	0	0	0	111.7	E593 I598 I599 V600	E593-T596 PolarHBondContact O-N 3.41Å; E593-T596 VanDerWaalsContact O-N 3.13Å; T596-I598 PolarHBondContact O-N 3.03Å; T596-I599 PolarHBondContact O-N 3.27Å; T596-V600 WeakPolarHBondContact O-CG2 3.18Å; T596-V600 PolarHBondContact O-N 3.28Å
597	V	84.6	Confident	71.5	Confident	91 Å²	91	103.6 Å²	103.6	55%	0.552	59%	0.592	S	S	*	*	H	α-helix	trans	-62.9	-43.2	179	177.6	0	0	0	0	111	E593 I599 V600 V601	E593-V597 PolarHBondContact O-N 2.9Å; E593-V597 VanDerWaalsContact O-N 3.14Å; V597-I599 VanDerWaalsContact C-N 3.34Å; V597-I599 PolarHBondContact O-N 3.04Å; V597-V600 PolarHBondContact O-N 3.2Å; V597-V601 HydrophobicContact CG1-CG2 4.44Å; V597-V601 WeakPolarHBondContact O-CG2 3.35Å; V597-V601 PolarHBondContact O-N 3.25Å
598	I	87.6	Confident	74.8	Confident	104 Å²	104	98.9 Å²	98.9	53%	0.533	57%	0.572	S	S	.	*	H	α-helix	trans	-62.8	-41.6	177.1	-65.4	170.2	0	0	0	110.7	V594 T596 V601 V602	V594-I598 HydrophobicContact CG1-CD1 4.04Å; V594-I598 WeakPolarHBondContact O-CG1 3.5Å; V594-I598 PolarHBondContact O-N 3.41Å; T596-I598 PolarHBondContact O-N 3.03Å; I598-V601 PolarHBondContact O-N 3.13Å; I598-V602 HydrophobicContact CG2-CG2 4.44Å; I598-V602 VanDerWaalsContact O-CG2 3.25Å; I598-V602 WeakPolarHBondContact O-CG2 3.36Å; I598-V602 PolarHBondContact O-N 3.29Å
599	I	89.9	Confident	78.2	Confident	112 Å²	112	96.6 Å²	96.6	57%	0.574	56%	0.559	S	S	*	*	H	α-helix	trans	-62.8	-44.5	176.8	-67.5	165.5	0	0	0	111	G595 T596 V597 V602 V603	G595-I599 WeakPolarHBondContact O-CD1 3.46Å; G595-I599 VanDerWaalsContact O-CG1 3.26Å; G595-I599 WeakPolarHBondContact O-CG1 3.38Å; G595-I599 PolarHBondContact O-N 3.28Å; G595-I599 VanDerWaalsContact O-N 3.15Å; T596-I599 PolarHBondContact O-N 3.27Å; V597-I599 VanDerWaalsContact C-N 3.34Å; V597-I599 PolarHBondContact O-N 3.04Å; I599-V602 PolarHBondContact O-N 3.43Å; I599-V603 HydrophobicContact CG2-CG2 4.45Å; I599-V603 VanDerWaalsContact O-CG2 3.29Å; I599-V603 WeakPolarHBondContact O-CG2 3.32Å; I599-V603 PolarHBondContact O-N 2.94Å
600	V	91.6	Very high	81.4	Confident	74 Å²	74	97.2 Å²	97.2	45%	0.448	55%	0.554	S	S	.	*	H	α-helix	trans	-63.4	-44	179.4	173	0	0	0	0	111.2	T596 V597 V602 V603 I604	T596-V600 WeakPolarHBondContact O-CG2 3.18Å; T596-V600 PolarHBondContact O-N 3.28Å; V597-V600 PolarHBondContact O-N 3.2Å; V600-V602 PolarHBondContact O-N 3.22Å; V600-V603 PolarHBondContact O-N 2.92Å; V600-I604 HydrophobicContact CG1-CD1 3.83Å; V600-I604 HydrophobicContact CG1-CG1 4.47Å; V600-I604 WeakPolarHBondContact O-CG1 3.38Å; V600-I604 PolarHBondContact O-N 3.02Å
601	V	91.6	Very high	84.3	Confident	71 Å²	71	93.6 Å²	93.6	43%	0.43	54%	0.54	S	S	.	.	H	α-helix	trans	-63.1	-41.7	177.5	173.5	0	0	0	0	111.3	V597 I598 V603 I604 L605	V597-V601 HydrophobicContact CG1-CG2 4.44Å; V597-V601 WeakPolarHBondContact O-CG2 3.35Å; V597-V601 PolarHBondContact O-N 3.25Å; I598-V601 PolarHBondContact O-N 3.13Å; V601-V603 PolarHBondContact O-N 3.2Å; V601-I604 PolarHBondContact O-N 2.92Å; V601-L605 HydrophobicContact CG1-CD1 3.93Å; V601-L605 HydrophobicContact CG1-CG 4.47Å; V601-L605 WeakPolarHBondContact O-CB 3.45Å; V601-L605 WeakPolarHBondContact O-CG 3.4Å; V601-L605 PolarHBondContact O-N 3.04Å
602	V	92.7	Very high	86.9	Confident	80 Å²	80	91.2 Å²	91.2	49%	0.485	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-39.6	176.5	171.7	0	0	0	0	111.5	I598 I599 V600 S606	I598-V602 HydrophobicContact CG2-CG2 4.44Å; I598-V602 VanDerWaalsContact O-CG2 3.25Å; I598-V602 WeakPolarHBondContact O-CG2 3.36Å; I598-V602 PolarHBondContact O-N 3.29Å; I599-V602 PolarHBondContact O-N 3.43Å; V600-V602 PolarHBondContact O-N 3.22Å; V602-S606 VanDerWaalsContact O-CB 3.31Å; V602-S606 WeakPolarHBondContact O-CB 3.33Å; V602-S606 PolarHBondContact O-N 2.72Å; V602-S606 PolarHBondContact O-OG 3.46Å
603	V	94.4	Very high	88.8	Confident	76 Å²	76	90.5 Å²	90.5	46%	0.461	51%	0.511	S	S	.	.	H	α-helix	trans	-65.5	-43.3	176.5	171.8	0	0	0	0	111.3	I599 V600 V601 S606 L607	I599-V603 HydrophobicContact CG2-CG2 4.45Å; I599-V603 VanDerWaalsContact O-CG2 3.29Å; I599-V603 WeakPolarHBondContact O-CG2 3.32Å; I599-V603 PolarHBondContact O-N 2.94Å; V600-V603 PolarHBondContact O-N 2.92Å; V601-V603 PolarHBondContact O-N 3.2Å; V603-S606 PolarHBondContact O-N 2.84Å; V603-L607 HydrophobicContact CG1-CD1 4.05Å; V603-L607 WeakPolarHBondContact O-CG 3.21Å; V603-L607 PolarHBondContact O-N 3.15Å
604	I	94.4	Very high	90.4	Very high	91 Å²	91	87.2 Å²	87.2	47%	0.467	50%	0.501	S	S	.	.	H	α-helix	trans	-62.9	-46.9	177.5	-67.9	168.5	0	0	0	110.7	V600 V601 S606 L607 L608	V600-I604 HydrophobicContact CG1-CD1 3.83Å; V600-I604 HydrophobicContact CG1-CG1 4.47Å; V600-I604 WeakPolarHBondContact O-CG1 3.38Å; V600-I604 PolarHBondContact O-N 3.02Å; V601-I604 PolarHBondContact O-N 2.92Å; I604-S606 VanDerWaalsContact C-N 3.31Å; I604-S606 PolarHBondContact O-N 3.41Å; I604-L607 PolarHBondContact O-N 2.68Å; I604-L608 HydrophobicContact CG2-CD1 4.12Å; I604-L608 WeakPolarHBondContact O-CG 3.32Å; I604-L608 PolarHBondContact O-N 3.11Å
605	L	93.6	Very high	91.5	Very high	97 Å²	97	85.3 Å²	85.3	51%	0.508	49%	0.49	S	S	.	.	H	α-helix	trans	-62.8	-38.6	177.5	-72.2	170.8	0	0	0	111.8	V601 L608 I609	V601-L605 HydrophobicContact CG1-CD1 3.93Å; V601-L605 HydrophobicContact CG1-CG 4.47Å; V601-L605 WeakPolarHBondContact O-CB 3.45Å; V601-L605 WeakPolarHBondContact O-CG 3.4Å; V601-L605 PolarHBondContact O-N 3.04Å; L605-L608 PolarHBondContact O-N 3.08Å; L605-I609 VanDerWaalsContact O-CG1 3.29Å; L605-I609 WeakPolarHBondContact O-CG1 3.34Å; L605-I609 PolarHBondContact O-N 3.19Å; L605-I609 VanDerWaalsContact O-N 3.11Å
606	S	93.4	Very high	92.2	Very high	56 Å²	56	87.9 Å²	87.9	39%	0.392	49%	0.493	S	S	.	.	H	α-helix	trans	-64	-41.9	176	-57.5	0	0	0	0	112.1	V602 V603 I604 I609 I610	V602-S606 VanDerWaalsContact O-CB 3.31Å; V602-S606 WeakPolarHBondContact O-CB 3.33Å; V602-S606 PolarHBondContact O-N 2.72Å; V602-S606 PolarHBondContact O-OG 3.46Å; V603-S606 PolarHBondContact O-N 2.84Å; I604-S606 VanDerWaalsContact C-N 3.31Å; I604-S606 PolarHBondContact O-N 3.41Å; S606-I609 PolarHBondContact O-N 2.63Å; S606-I610 VanDerWaalsContact O-CG1 3.31Å; S606-I610 WeakPolarHBondContact O-CG1 3.38Å; S606-I610 PolarHBondContact O-N 2.94Å; S606-I610 VanDerWaalsContact O-N 3.08Å
607	L	95	Very high	92.6	Very high	97 Å²	97	86.8 Å²	86.8	51%	0.508	49%	0.486	S	S	.	.	H	α-helix	trans	-65.6	-41.2	176.9	-75	168.7	0	0	0	112	V603 I604 I609 I610 I611	V603-L607 HydrophobicContact CG1-CD1 4.05Å; V603-L607 WeakPolarHBondContact O-CG 3.21Å; V603-L607 PolarHBondContact O-N 3.15Å; I604-L607 PolarHBondContact O-N 2.68Å; L607-I609 VanDerWaalsContact C-N 3.34Å; L607-I609 PolarHBondContact O-N 2.97Å; L607-I610 PolarHBondContact O-N 3.22Å; L607-I611 VanDerWaalsContact O-CG1 3.28Å; L607-I611 WeakPolarHBondContact O-CG1 3.47Å; L607-I611 PolarHBondContact O-N 2.91Å
608	L	93.5	Very high	92.7	Very high	97 Å²	97	85.7 Å²	85.7	51%	0.508	48%	0.479	S	S	.	.	H	α-helix	trans	-63.7	-38.6	177.3	-70.1	173.3	0	0	0	112.3	I604 L605 T612	I604-L608 HydrophobicContact CG2-CD1 4.12Å; I604-L608 WeakPolarHBondContact O-CG 3.32Å; I604-L608 PolarHBondContact O-N 3.11Å; L605-L608 PolarHBondContact O-N 3.08Å; L608-T612 PolarHBondContact O-N 3.17Å; L608-T612 PolarHBondContact O-OG1 3.35Å
609	I	95.3	Very high	92.6	Very high	108 Å²	108	86.7 Å²	86.7	55%	0.554	48%	0.483	S	S	*	.	H	α-helix	trans	-66.1	-41.8	174.8	-66.8	167.7	0	0	0	111	L605 S606 L607 T612 V613	L605-I609 VanDerWaalsContact O-CG1 3.29Å; L605-I609 WeakPolarHBondContact O-CG1 3.34Å; L605-I609 PolarHBondContact O-N 3.19Å; L605-I609 VanDerWaalsContact O-N 3.11Å; S606-I609 PolarHBondContact O-N 2.63Å; L607-I609 VanDerWaalsContact C-N 3.34Å; L607-I609 PolarHBondContact O-N 2.97Å; I609-T612 VanDerWaalsContact CA-OG1 3.32Å; I609-T612 WeakPolarHBondContact CA-OG1 3.44Å; I609-T612 PolarHBondContact O-N 2.97Å; I609-T612 PolarHBondContact O-OG1 3.14Å; I609-V613 VanDerWaalsContact O-CG2 3.28Å; I609-V613 WeakPolarHBondContact O-CG2 3.39Å; I609-V613 PolarHBondContact O-N 3.15Å
610	I	95	Very high	92.3	Very high	102 Å²	102	87.5 Å²	87.5	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-64.6	-45.1	177.4	-68.1	166.4	0	0	0	110.9	S606 L607 T612 V613 V614	S606-I610 VanDerWaalsContact O-CG1 3.31Å; S606-I610 WeakPolarHBondContact O-CG1 3.38Å; S606-I610 PolarHBondContact O-N 2.94Å; S606-I610 VanDerWaalsContact O-N 3.08Å; L607-I610 PolarHBondContact O-N 3.22Å; I610-T612 PolarHBondContact O-N 2.94Å; I610-V613 PolarHBondContact O-N 3.24Å; I610-V614 HydrophobicContact CG2-CG2 4.39Å; I610-V614 VanDerWaalsContact O-CG2 3.3Å; I610-V614 WeakPolarHBondContact O-CG2 3.3Å; I610-V614 PolarHBondContact O-N 3.18Å
611	I	94.7	Very high	91.7	Very high	100 Å²	100	92 Å²	92	51%	0.513	50%	0.495	S	S	.	.	H	α-helix	trans	-61	-46.1	178.9	-69.1	166.6	0	0	0	110.6	L607 V613 V614 V615	L607-I611 VanDerWaalsContact O-CG1 3.28Å; L607-I611 WeakPolarHBondContact O-CG1 3.47Å; L607-I611 PolarHBondContact O-N 2.91Å; I611-V613 PolarHBondContact O-N 3.33Å; I611-V614 PolarHBondContact O-N 3.49Å; I611-V615 WeakPolarHBondContact O-CG2 3.12Å; I611-V615 PolarHBondContact O-N 3.31Å
612	T	92.5	Very high	91	Very high	77 Å²	77	98 Å²	98	47%	0.472	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-41.6	177.9	40.3	0	0	0	0	112.2	L608 I609 I610 V615 I616	L608-T612 PolarHBondContact O-N 3.17Å; L608-T612 PolarHBondContact O-OG1 3.35Å; I609-T612 VanDerWaalsContact CA-OG1 3.32Å; I609-T612 WeakPolarHBondContact CA-OG1 3.44Å; I609-T612 PolarHBondContact O-N 2.97Å; I609-T612 PolarHBondContact O-OG1 3.14Å; I610-T612 PolarHBondContact O-N 2.94Å; T612-V615 PolarHBondContact O-N 3.24Å; T612-I616 VanDerWaalsContact O-CG1 3.3Å; T612-I616 WeakPolarHBondContact O-CG1 3.45Å; T612-I616 PolarHBondContact O-N 3.37Å
613	V	93.8	Very high	90.1	Very high	79 Å²	79	102.5 Å²	102.5	48%	0.479	52%	0.523	S	S	.	.	H	α-helix	trans	-62.8	-42.4	174.2	171.2	0	0	0	0	111.8	I609 I610 I611 V615 I616 V617	I609-V613 VanDerWaalsContact O-CG2 3.28Å; I609-V613 WeakPolarHBondContact O-CG2 3.39Å; I609-V613 PolarHBondContact O-N 3.15Å; I610-V613 PolarHBondContact O-N 3.24Å; I611-V613 PolarHBondContact O-N 3.33Å; V613-V615 PolarHBondContact O-N 3.34Å; V613-I616 PolarHBondContact O-N 3.46Å; V613-V617 HydrophobicContact CG1-CG2 4.29Å; V613-V617 WeakPolarHBondContact O-CB 3.23Å; V613-V617 VanDerWaalsContact O-CG2 3.3Å; V613-V617 WeakPolarHBondContact O-CG2 3.23Å; V613-V617 PolarHBondContact O-N 3.14Å
614	V	94.4	Very high	88.6	Confident	82 Å²	82	107.3 Å²	107.3	50%	0.497	54%	0.537	S	S	.	.	H	α-helix	trans	-62.9	-41.5	176.9	170.5	0	0	0	0	111.3	I610 I611 V617 T618	I610-V614 HydrophobicContact CG2-CG2 4.39Å; I610-V614 VanDerWaalsContact O-CG2 3.3Å; I610-V614 WeakPolarHBondContact O-CG2 3.3Å; I610-V614 PolarHBondContact O-N 3.18Å; I611-V614 PolarHBondContact O-N 3.49Å; V614-V617 PolarHBondContact O-N 3.13Å; V614-T618 HydrophobicContact CG1-CG2 4.48Å; V614-T618 WeakPolarHBondContact O-CB 3.35Å; V614-T618 WeakPolarHBondContact O-CG2 3.42Å; V614-T618 PolarHBondContact O-N 2.84Å; V614-T618 PolarHBondContact O-OG1 3.04Å
615	V	93.6	Very high	87.2	Confident	71 Å²	71	112.2 Å²	112.2	43%	0.43	55%	0.55	S	S	.	*	H	α-helix	trans	-62.7	-45.6	175.3	172.3	0	0	0	0	110.8	I611 T612 V613 T618 M619	I611-V615 WeakPolarHBondContact O-CG2 3.12Å; I611-V615 PolarHBondContact O-N 3.31Å; T612-V615 PolarHBondContact O-N 3.24Å; V613-V615 PolarHBondContact O-N 3.34Å; V615-T618 WeakPolarHBondContact CA-OG1 3.39Å; V615-T618 PolarHBondContact O-N 3.11Å; V615-T618 PolarHBondContact O-OG1 3.02Å; V615-M619 HydrophobicContact CG1-CG 4.49Å; V615-M619 HydrophobicContact CG1-SD 4.09Å; V615-M619 WeakPolarHBondContact O-CB 3.15Å; V615-M619 VanDerWaalsContact O-CG 3.3Å; V615-M619 WeakPolarHBondContact O-CG 3.24Å; V615-M619 PolarHBondContact O-N 2.99Å
616	I	91.7	Very high	85.4	Confident	97 Å²	97	109.3 Å²	109.3	50%	0.497	54%	0.544	S	S	.	.	H	α-helix	trans	-62.6	-47.2	177.9	-68.3	167.5	0	0	0	110.8	T612 V613 T618 M619 M620	T612-I616 VanDerWaalsContact O-CG1 3.3Å; T612-I616 WeakPolarHBondContact O-CG1 3.45Å; T612-I616 PolarHBondContact O-N 3.37Å; V613-I616 PolarHBondContact O-N 3.46Å; I616-T618 PolarHBondContact O-N 3.44Å; I616-M619 PolarHBondContact O-N 3.44Å; I616-M620 HydrophobicContact CG2-CG 4.43Å; I616-M620 HydrophobicContact CG2-SD 4.11Å; I616-M620 VanDerWaalsContact O-CG 3.32Å; I616-M620 WeakPolarHBondContact O-CG 3.28Å; I616-M620 PolarHBondContact O-N 3.13Å
617	V	90.8	Very high	83.5	Confident	61 Å²	61	109.7 Å²	109.7	37%	0.37	55%	0.551	S	S	.	*	H	α-helix	trans	-63.4	-40.6	179.3	171.3	0	0	0	0	111.4	V613 V614 M620 R621	V613-V617 HydrophobicContact CG1-CG2 4.29Å; V613-V617 WeakPolarHBondContact O-CB 3.23Å; V613-V617 VanDerWaalsContact O-CG2 3.3Å; V613-V617 WeakPolarHBondContact O-CG2 3.23Å; V613-V617 PolarHBondContact O-N 3.14Å; V614-V617 PolarHBondContact O-N 3.13Å; V617-M620 PolarHBondContact O-N 3.04Å; V617-R621 WeakPolarHBondContact O-CB 3.44Å; V617-R621 WeakPolarHBondContact O-CG 3.38Å; V617-R621 PolarHBondContact O-N 3.04Å
618	T	86.4	Confident	81.2	Confident	67 Å²	67	113.6 Å²	113.6	41%	0.411	56%	0.564	S	S	.	*	H	α-helix	trans	-67.9	-38.9	177.1	46.9	0	0	0	0	112	V614 V615 I616 R621 R622	V614-T618 HydrophobicContact CG1-CG2 4.48Å; V614-T618 WeakPolarHBondContact O-CB 3.35Å; V614-T618 WeakPolarHBondContact O-CG2 3.42Å; V614-T618 PolarHBondContact O-N 2.84Å; V614-T618 PolarHBondContact O-OG1 3.04Å; V615-T618 WeakPolarHBondContact CA-OG1 3.39Å; V615-T618 PolarHBondContact O-N 3.11Å; V615-T618 PolarHBondContact O-OG1 3.02Å; I616-T618 PolarHBondContact O-N 3.44Å; T618-R621 PolarHBondContact O-N 3.5Å; T618-R622 WeakPolarHBondContact O-CB 3.45Å; T618-R622 WeakPolarHBondContact O-CG 3.28Å; T618-R622 PolarHBondContact O-N 3.13Å
619	M	85.3	Confident	79	Confident	125 Å²	125	118.1 Å²	118.1	62%	0.616	57%	0.574	S	S	*	*	H	α-helix	trans	-62.5	-45.3	171.9	-74.6	-178.2	69.1	0	0	111.9	V615 I616 R621 R622 K623	V615-M619 HydrophobicContact CG1-CG 4.49Å; V615-M619 HydrophobicContact CG1-SD 4.09Å; V615-M619 WeakPolarHBondContact O-CB 3.15Å; V615-M619 VanDerWaalsContact O-CG 3.3Å; V615-M619 WeakPolarHBondContact O-CG 3.24Å; V615-M619 PolarHBondContact O-N 2.99Å; I616-M619 PolarHBondContact O-N 3.44Å; M619-R621 PolarHBondContact O-N 3.17Å; M619-R622 PolarHBondContact O-N 3.43Å; M619-K623 PolarHBondContact O-N 3.07Å
620	M	84.4	Confident	76.6	Confident	129 Å²	129	120 Å²	120	64%	0.635	58%	0.58	S	S	*	*	H	α-helix	trans	-62.4	-40.7	176.2	-71.4	-178	75.3	0	0	112.1	I616 V617 K623 K624	I616-M620 HydrophobicContact CG2-CG 4.43Å; I616-M620 HydrophobicContact CG2-SD 4.11Å; I616-M620 VanDerWaalsContact O-CG 3.32Å; I616-M620 WeakPolarHBondContact O-CG 3.28Å; I616-M620 PolarHBondContact O-N 3.13Å; V617-M620 PolarHBondContact O-N 3.04Å; M620-K623 PolarHBondContact O-N 3.06Å; M620-K624 PolarHBondContact O-N 3.36Å
621	R	80	Confident	74	Confident	169 Å²	169	122.1 Å²	122.1	64%	0.638	59%	0.592	S	S	*	*	H	α-helix	trans	-65.1	-40	174.3	-76.5	180	177	-174.3	0.4	112	V617 T618 M619 K624 R625	V617-R621 WeakPolarHBondContact O-CB 3.44Å; V617-R621 WeakPolarHBondContact O-CG 3.38Å; V617-R621 PolarHBondContact O-N 3.04Å; T618-R621 PolarHBondContact O-N 3.5Å; M619-R621 PolarHBondContact O-N 3.17Å; R621-K624 PolarHBondContact O-N 2.98Å; R621-R625 WeakPolarHBondContact O-CG 3.48Å; R621-R625 PolarHBondContact O-N 3.19Å
622	R	75.9	Confident	71.6	Confident	196 Å²	196	124.5 Å²	124.5	74%	0.74	61%	0.606	S	S	*	*	H	α-helix	trans	-62.4	-42.6	173.8	-79.4	-177.7	177.4	-174.7	0.8	111.2	T618 M619 R625 G626	T618-R622 WeakPolarHBondContact O-CB 3.45Å; T618-R622 WeakPolarHBondContact O-CG 3.28Å; T618-R622 PolarHBondContact O-N 3.13Å; M619-R622 PolarHBondContact O-N 3.43Å; R622-R625 PolarHBondContact O-N 3.23Å; R622-R625 VanDerWaalsContact O-N 3.17Å; R622-G626 PolarHBondContact O-N 3.05Å
623	K	73.4	Confident	69	Low	176 Å²	176	129 Å²	129	77%	0.765	62%	0.618	S	S	*	*	H	α-helix	trans	-63.8	-42.1	178.1	-142.4	175.9	-175.6	-179.5	0	112.1	M619 M620 R625 G626 A627	M619-K623 PolarHBondContact O-N 3.07Å; M620-K623 PolarHBondContact O-N 3.06Å; K623-R625 PolarHBondContact O-N 3.09Å; K623-G626 PolarHBondContact O-N 3.09Å; K623-A627 PolarHBondContact O-N 2.81Å
624	K	64.4	Low	66	Low	176 Å²	176	133.1 Å²	133.1	77%	0.765	64%	0.638	S	S	*	*	H	α-helix	trans	-63.7	-34.8	172.2	-92.2	-173.6	174.6	-179.9	0	113.4	M620 R621	M620-K624 PolarHBondContact O-N 3.36Å; R621-K624 PolarHBondContact O-N 2.98Å
625	R	64	Low	62.9	Low	194 Å²	194	131.8 Å²	131.8	73%	0.732	64%	0.64	S	S	*	*	H	α-helix	trans	-72.6	-35.2	175.1	-73.5	179.1	179.9	179.7	-0.3	112.4	R621 R622 K623 K628 R629	R621-R625 WeakPolarHBondContact O-CG 3.48Å; R621-R625 PolarHBondContact O-N 3.19Å; R622-R625 PolarHBondContact O-N 3.23Å; R622-R625 VanDerWaalsContact O-N 3.17Å; K623-R625 PolarHBondContact O-N 3.09Å; R625-K628 PolarHBondContact O-N 3.22Å; R625-R629 PolarHBondContact O-N 2.93Å
626	G	55.6	Low	60	Low	37 Å²	37	135.7 Å²	135.7	38%	0.381	66%	0.664	S	S	.	*	H	α-helix	trans	-60.6	-46.2	174.5	0	0	0	0	0	112.4	R622 K623 K628 R629 E630	R622-G626 PolarHBondContact O-N 3.05Å; K623-G626 PolarHBondContact O-N 3.09Å; G626-K628 PolarHBondContact O-N 3.36Å; G626-R629 PolarHBondContact O-N 3.46Å; G626-E630 PolarHBondContact O-N 3.27Å
627	A	53	Low	56.8	Low	64 Å²	64	139 Å²	139	53%	0.529	68%	0.678	S	S	.	*	H	α-helix	trans	-63.8	-26.9	177.9	0	0	0	0	0	113.7	K623	K623-A627 PolarHBondContact O-N 2.81Å
628	K	47	Very low	53.6	Low	179 Å²	179	144 Å²	144	78%	0.778	70%	0.696	S	S	*	*	H	α-helix	trans	-77.4	-20.8	173.3	-110.4	-176.4	178.4	-175.1	0	113.3	R625 G626	R625-K628 PolarHBondContact O-N 3.22Å; G626-K628 PolarHBondContact O-N 3.36Å
629	R	47.1	Very low	50.7	Low	191 Å²	191	145.7 Å²	145.7	72%	0.721	71%	0.707	S	S	*	*	H	α-helix	trans	-90.5	-23.2	-175.1	-155.4	174.9	-177.1	-176.8	0.4	113	R625 G626 L632	R625-R629 PolarHBondContact O-N 2.93Å; G626-R629 PolarHBondContact O-N 3.46Å; R629-L632 PolarHBondContact O-N 3.2Å
630	E	45.2	Very low	47.7	Very low	148 Å²	148	147.4 Å²	147.4	69%	0.692	72%	0.719	S	S	*	*	H	α-helix	trans	-72.2	-28.8	173.8	-77.6	-177.4	158.2	0	0	113	G626 L632 K633	G626-E630 PolarHBondContact O-N 3.27Å; E630-L632 PolarHBondContact O-N 3.02Å; E630-L632 VanDerWaalsContact O-N 3.15Å; E630-K633 PolarHBondContact O-N 3.22Å
631	N	41.1	Very low	44.9	Very low	146 Å²	146	144.5 Å²	144.5	78%	0.781	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-7.6	173.5	-78.8	-8.9	0	0	0	114.4
632	L	43.5	Very low	42.3	Very low	151 Å²	151	143.9 Å²	143.9	79%	0.791	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	-2.1	-179.5	-133	87.3	0	0	0	114.3	R629 E630	R629-L632 PolarHBondContact O-N 3.2Å; E630-L632 PolarHBondContact O-N 3.02Å; E630-L632 VanDerWaalsContact O-N 3.15Å
633	K	37.8	Very low	39.7	Very low	170 Å²	170	139.9 Å²	139.9	74%	0.739	73%	0.732	S	S	*	*	S	Bend	trans	-100.7	-4.9	-177.4	-84.1	-171.2	171.9	-170.7	0	115.3	E630 G635	E630-K633 PolarHBondContact O-N 3.22Å; K633-G635 PolarHBondContact O-N 3.08Å
634	N	31.9	Very low	37.3	Very low	167 Å²	167	136 Å²	136	89%	0.893	73%	0.733	S	S	*	*	S	Bend	trans	-89	39.5	175.2	-74.3	-3.3	0	0	0	113
635	G	29.1	Very low	35.4	Very low	53 Å²	53	131.8 Å²	131.8	55%	0.546	73%	0.731	S	S	.	*			trans	-144.5	134.5	177.8	0	0	0	0	0	111.3	K633	K633-G635 PolarHBondContact O-N 3.08Å
636	V	32.2	Very low	33.4	Very low	153 Å²	153	129.1 Å²	129.1	93%	0.927	74%	0.736	S	S	*	*			trans	99.3	83.5	171.2	-163.6	0	0	0	0	114.9
637	H	25.4	Very low	31.8	Very low	168 Å²	168	132.2 Å²	132.2	78%	0.778	75%	0.751	S	S	*	*			trans	-64.6	158.5	152.6	-90.6	-85.8	0	0	0	112.9
638	Q	23.9	Very low	30.4	Very low	164 Å²	164	133.1 Å²	133.1	77%	0.766	76%	0.759	S	S	*	*			trans	92.3	128.8	137.1	-91.6	177.2	-43.8	0	0	122.2
639	T	24.8	Very low	29.3	Very low	103 Å²	103	131.4 Å²	131.4	63%	0.632	76%	0.763	S	S	*	*			trans	83.2	113	137.2	49.2	0	0	0	0	121.3
640	D	23.2	Very low	28.3	Very low	162 Å²	162	125.8 Å²	125.8	87%	0.866	76%	0.758	S	S	*	*				57	130.9	119.6	-59.8	-22.1	0	0	0	121.5
641	G	25.1	Very low	27.4	Very low	68 Å²	68	126.6 Å²	126.6	70%	0.701	77%	0.767	S	S	*	*				127.2	107.2	129.6	0	0	0	0	0	117.9
642	N	24	Very low	26.7	Very low	156 Å²	156	122.7 Å²	122.7	83%	0.834	76%	0.761	S	S	*	*			trans	63	129.8	131.1	-79.3	-6	0	0	0	123.8
643	C	21.5	Very low	25.8	Very low	112 Å²	112	122.3 Å²	122.3	76%	0.757	77%	0.769	S	S	*	*			trans	72.9	116.9	130.1	-72	0	0	0	0	122.1
644	A	23.3	Very low	25.4	Very low	94 Å²	94	122.3 Å²	122.3	78%	0.777	77%	0.771	S	S	*	*				78.5	131	118.6	0	0	0	0	0	120.9
645	A	24.3	Very low	24.9	Very low	88 Å²	88	122 Å²	122	73%	0.727	77%	0.767	S	S	*	*			trans	86	113.7	136.8	0	0	0	0	0	119.9
646	V	22.1	Very low	24.9	Very low	138 Å²	138	130.3 Å²	130.3	84%	0.836	78%	0.783	S	S	*	*				83.6	130.6	121.7	176.3	0	0	0	0	119.2
647	S	22.9	Very low	24.5	Very low	101 Å²	101	131.8 Å²	131.8	71%	0.706	78%	0.777	S	S	*	*			trans	77.6	101.6	148.1	-175.6	0	0	0	0	118.8
648	A	23.8	Very low	24.9	Very low	84 Å²	84	129.3 Å²	129.3	69%	0.694	78%	0.779	S	S	*	*				53.1	141.9	114.3	0	0	0	0	0	120.8
649	V	23.4	Very low	25.1	Very low	142 Å²	142	126.3 Å²	126.3	86%	0.861	78%	0.782	S	S	*	*			trans	95.1	133.6	152.6	-166.1	0	0	0	0	116.5
650	A	25.3	Very low	25.2	Very low	74 Å²	74	127.6 Å²	127.6	61%	0.612	79%	0.79	S	S	*	*			trans	85.4	109.9	157.5	0	0	0	0	0	118.7
651	D	26.3	Very low	25.5	Very low	165 Å²	165	127.9 Å²	127.9	88%	0.882	79%	0.786	S	S	*	*				61.7	128	123	-60.4	-28	0	0	0	120.3
652	G	26.4	Very low	25.8	Very low	63 Å²	63	134 Å²	134	65%	0.649	79%	0.789	S	S	*	*			trans	114.5	58.7	147.1	0	0	0	0	0	116.2	H654	G652-H654 VanDerWaalsContact C-N 3.35Å; G652-H654 PolarHBondContact O-N 2.97Å; G652-H654 VanDerWaalsContact O-N 3.09Å
653	C	25.4	Very low	26	Very low	144 Å²	144	132.2 Å²	132.2	97%	0.973	79%	0.786	S	S	*	*			trans	-76.6	96	154.7	-86.9	0	0	0	0	109.6
654	H	28.4	Very low	26.3	Very low	169 Å²	169	137.3 Å²	137.3	78%	0.782	79%	0.791	S	S	*	*			trans	-44.8	139	169.6	-86.8	-86.5	0	0	0	114.2	G652 Y656	G652-H654 VanDerWaalsContact C-N 3.35Å; G652-H654 PolarHBondContact O-N 2.97Å; G652-H654 VanDerWaalsContact O-N 3.09Å; H654-Y656 PolarHBondContact O-N 2.99Å
655	M	23.1	Very low	26.4	Very low	162 Å²	162	144.9 Å²	144.9	80%	0.798	80%	0.799	S	S	*	*			trans	-46.3	119.7	160.1	-75.3	170.3	73.7	0	0	111.6	K657	M655-K657 HydrophobicContact CE-CG 4.46Å
656	Y	27.8	Very low	26.5	Very low	226 Å²	226	147.7 Å²	147.7	89%	0.886	80%	0.801	S	S	*	*			trans	-103.1	113	149.5	-94.3	-85.1	0	0	0	109.6	H654 S658	H654-Y656 PolarHBondContact O-N 2.99Å; Y656-S658 PolarHBondContact O-N 3.16Å
657	K	25.1	Very low	26.5	Very low	185 Å²	185	146.5 Å²	146.5	80%	0.804	80%	0.796	S	S	*	*			trans	-68.5	113.7	168.1	-76.5	176.6	172.4	177.9	0	109.6	M655	M655-K657 HydrophobicContact CE-CG 4.46Å
658	S	33	Very low	26.6	Very low	116 Å²	116	147.8 Å²	147.8	81%	0.811	80%	0.803	S	S	*	*			trans	-163.5	90.3	139.6	62.1	0	0	0	0	109	Y656	Y656-S658 PolarHBondContact O-N 3.16Å
659	A	27	Very low	26.7	Very low	100 Å²	100	153.2 Å²	153.2	83%	0.826	81%	0.811	S	S	*	*			trans	-90	106.3	171.8	0	0	0	0	0	108.5
660	T	28.1	Very low	26.8	Very low	130 Å²	130	150.4 Å²	150.4	80%	0.798	80%	0.803	S	S	*	*			trans	-178.8	81.6	149.4	45.9	0	0	0	0	108.3
661	Q	29.3	Very low	26.8	Very low	169 Å²	169	157.8 Å²	157.8	79%	0.79	82%	0.817	S	S	*	*	S	Bend	trans	172.1	125.6	147.2	-102.2	161.6	-13.8	0	0	110.7
662	Y	31.4	Very low	26.8	Very low	197 Å²	197	157 Å²	157	77%	0.773	81%	0.812	S	S	*	*			trans	76.8	112	168.8	-55.3	-71.2	0	0	0	119.2	Y664	Y662-Y664 PolarHBondContact O-N 2.76Å
663	P	27.7	Very low	26.9	Very low	118 Å²	118	158.4 Å²	158.4	77%	0.766	82%	0.818	S	S	*	*			trans	-90.9	89.8	167.8	35.4	-25.9	0	0	0	109.7
664	Y	27.8	Very low	27	Very low	218 Å²	218	157.8 Å²	157.8	86%	0.855	81%	0.81	S	S	*	*			trans	-138.7	80.1	153.1	-79.5	-75.3	0	0	0	107.9	Y662 I666	Y662-Y664 PolarHBondContact O-N 2.76Å; Y664-I666 PolarHBondContact O-N 3.04Å
665	R	25.8	Very low	27	Very low	254 Å²	254	158.1 Å²	158.1	96%	0.958	81%	0.812	S	S	*	*			trans	-80.4	100.7	162.2	-84.7	-172.7	176.7	-170.8	-0.8	107.4
666	I	25.8	Very low	27.4	Very low	147 Å²	147	157.7 Å²	157.7	75%	0.754	81%	0.812	S	S	*	*			trans	-62.2	126.3	169.8	-60.9	170.8	0	0	0	107.6	Y664 C668	Y664-I666 PolarHBondContact O-N 3.04Å; I666-C668 PolarHBondContact O-N 3.41Å; I666-C668 VanDerWaalsContact O-N 3.15Å
667	P	22.9	Very low	27.5	Very low	113 Å²	113	150.6 Å²	150.6	73%	0.734	81%	0.808	S	S	*	*			trans	-67.2	115.8	176.5	25.3	-30.2	0	0	0	109	K669	P667-K669 PolarHBondContact O-N 3.18Å
668	C	24.2	Very low	27.7	Very low	127 Å²	127	152.7 Å²	152.7	86%	0.858	81%	0.811	S	S	*	*			trans	-61.6	102.8	167.4	-63.3	0	0	0	0	108.1	I666 A670	I666-C668 PolarHBondContact O-N 3.41Å; I666-C668 VanDerWaalsContact O-N 3.15Å; C668-A670 PolarHBondContact O-N 2.62Å
669	K	26	Very low	27.3	Very low	198 Å²	198	154.1 Å²	154.1	86%	0.861	82%	0.815	S	S	*	*			trans	-60.9	108.4	159.5	-89.7	-178.6	174.6	177.7	0	106.7	P667 Y671	P667-K669 PolarHBondContact O-N 3.18Å; K669-Y671 PolarHBondContact O-N 3.08Å
670	A	25.9	Very low	27.4	Very low	84 Å²	84	158.2 Å²	158.2	69%	0.694	82%	0.817	S	S	*	*			trans	-56.3	121.3	165.9	0	0	0	0	0	107.7	C668 N672	C668-A670 PolarHBondContact O-N 2.62Å; A670-N672 PolarHBondContact O-N 3.05Å; A670-N672 VanDerWaalsContact O-N 3.09Å
671	Y	25.4	Very low	27.3	Very low	229 Å²	229	159 Å²	159	90%	0.898	82%	0.822	S	S	*	*			trans	-62.6	107.4	170.7	-107.6	-100.5	0	0	0	107.5	K669 A673	K669-Y671 PolarHBondContact O-N 3.08Å; Y671-A673 VanDerWaalsContact C-N 3.29Å; Y671-A673 PolarHBondContact O-N 3.02Å
672	N	27.3	Very low	27.4	Very low	147 Å²	147	155.6 Å²	155.6	79%	0.786	82%	0.823	S	S	*	*			trans	-71.8	92	164.9	-79.6	-19.2	0	0	0	107.4	A670 V674	A670-N672 PolarHBondContact O-N 3.05Å; A670-N672 VanDerWaalsContact O-N 3.09Å; N672-V674 PolarHBondContact O-N 3.16Å; N672-V674 VanDerWaalsContact O-N 3.17Å
673	A	27.6	Very low	27.2	Very low	93 Å²	93	149.9 Å²	149.9	77%	0.769	82%	0.823	S	S	*	*			trans	-65.9	106	158.9	0	0	0	0	0	107	Y671 E675	Y671-A673 VanDerWaalsContact C-N 3.29Å; Y671-A673 PolarHBondContact O-N 3.02Å; A673-E675 VanDerWaalsContact C-N 3.35Å; A673-E675 PolarHBondContact O-N 3.19Å
674	V	28.4	Very low	27.1	Very low	132 Å²	132	155.1 Å²	155.1	80%	0.8	83%	0.829	S	S	*	*			trans	-85	85.2	171.4	-177.9	0	0	0	0	106.9	N672	N672-V674 PolarHBondContact O-N 3.16Å; N672-V674 VanDerWaalsContact O-N 3.17Å
675	E	28	Very low	27.1	Very low	176 Å²	176	149.2 Å²	149.2	82%	0.822	83%	0.826	S	S	*	*			trans	-102.1	127.1	150	-82.9	-175.7	158.1	0	0	107	A673	A673-E675 VanDerWaalsContact C-N 3.35Å; A673-E675 PolarHBondContact O-N 3.19Å
676	D	31.1	Very low	27	Very low	152 Å²	152	145.9 Å²	145.9	81%	0.813	82%	0.821	S	S	*	*	S	Bend	trans	62.5	72.7	167.9	-61.6	-19.3	0	0	0	118.9	R678	D676-R678 PolarHBondContact O-N 3.21Å
677	G	29.2	Very low	27.2	Very low	78 Å²	78	145.4 Å²	145.4	80%	0.804	82%	0.82	S	S	*	*	S	Bend		62.1	17.6	123.1	0	0	0	0	0	120.4
678	R	29.1	Very low	27.3	Very low	229 Å²	229	145 Å²	145	86%	0.864	82%	0.82	S	S	*	*			trans	-131.9	105.8	172.9	-72.4	-175.5	177.1	162.6	0.7	112.8	D676 Q680	D676-R678 PolarHBondContact O-N 3.21Å; R678-Q680 PolarHBondContact O-N 2.86Å
679	T	25.7	Very low	27.6	Very low	145 Å²	145	148.8 Å²	148.8	89%	0.89	82%	0.817	S	S	*	*			trans	-61.1	118.2	166.9	39.7	0	0	0	0	111.2
680	Q	28.7	Very low	27.6	Very low	187 Å²	187	145.4 Å²	145.4	87%	0.874	81%	0.814	S	S	*	*			trans	-118.6	119.7	158.7	-75.1	-170.2	14.3	0	0	109.7	R678 A682	R678-Q680 PolarHBondContact O-N 2.86Å; Q680-A682 PolarHBondContact O-N 2.8Å
681	T	25.7	Very low	27.7	Very low	147 Å²	147	148 Å²	148	90%	0.902	82%	0.82	S	S	*	*			trans	-70.7	111.7	174.2	39.9	0	0	0	0	110.4
682	A	31.1	Very low	27.7	Very low	97 Å²	97	142.4 Å²	142.4	80%	0.802	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-95.6	119.1	168.7	0	0	0	0	0	109.6	Q680	Q680-A682 PolarHBondContact O-N 2.8Å
683	G	27.9	Very low	27.4	Very low	76 Å²	76	146.7 Å²	146.7	78%	0.784	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-69.2	152.6	-175.7	0	0	0	0	0	114.4
684	Y	24.6	Very low	27.7	Very low	228 Å²	228	155.3 Å²	155.3	89%	0.894	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-73.1	120.8	177.1	-77.6	-96.9	0	0	0	111.2
685	A	28.4	Very low	27.7	Very low	95 Å²	95	156.5 Å²	156.5	79%	0.785	84%	0.838	S	S	*	*			trans	-90	106.5	159.2	0	0	0	0	0	108.2	D687	A685-D687 PolarHBondContact O-N 3.31Å
686	Q	24.5	Very low	27.7	Very low	183 Å²	183	155.4 Å²	155.4	86%	0.855	84%	0.839	S	S	*	*			trans	-78.8	101.9	168.9	-75.9	179.6	-38.9	0	0	108.7
687	D	28.6	Very low	27.5	Very low	138 Å²	138	155.6 Å²	155.6	74%	0.738	84%	0.84	S	S	*	*			trans	-98.7	101.5	162.5	-79.9	-28.6	0	0	0	109	A685 Y689	A685-D687 PolarHBondContact O-N 3.31Å; D687-Y689 HydrophobicContact CB-CE2 4.34Å; D687-Y689 PolarHBondContact O-N 3.2Å
688	S	25	Very low	27.4	Very low	103 Å²	103	160.2 Å²	160.2	72%	0.72	84%	0.842	S	S	*	*			trans	-69.2	114	172	53	0	0	0	0	110.5
689	Y	31.2	Very low	27.2	Very low	207 Å²	207	155.9 Å²	155.9	81%	0.812	84%	0.841	S	S	*	*			trans	-108.2	105.8	163.3	-79.5	-82.5	0	0	0	110	D687 V691	D687-Y689 HydrophobicContact CB-CE2 4.34Å; D687-Y689 PolarHBondContact O-N 3.2Å; Y689-V691 PolarHBondContact O-N 3.29Å
690	T	25	Very low	27.3	Very low	128 Å²	128	156.6 Å²	156.6	79%	0.785	84%	0.838	S	S	*	*			trans	-71.8	109.6	171.2	-24.5	0	0	0	0	108.6	T692	T690-T692 PolarHBondContact O-N 2.8Å
691	V	28.6	Very low	27.2	Very low	137 Å²	137	154.4 Å²	154.4	83%	0.83	84%	0.835	S	S	*	*			trans	-90.7	99.9	171.3	-179.6	0	0	0	0	107.8	Y689 R693	Y689-V691 PolarHBondContact O-N 3.29Å; V691-R693 PolarHBondContact O-N 3.26Å
692	T	26	Very low	27.4	Very low	113 Å²	113	155 Å²	155	69%	0.693	83%	0.83	S	S	*	*			trans	-71.2	120.8	174.4	-45.8	0	0	0	0	109.2	T690 F694	T690-T692 PolarHBondContact O-N 2.8Å; T692-F694 PolarHBondContact O-N 3.06Å
693	R	21.3	Very low	27.1	Very low	237 Å²	237	159.8 Å²	159.8	89%	0.894	83%	0.832	S	S	*	*			trans	-57.1	128	168.4	-90.3	178.9	171	170.8	-3.8	110	V691	V691-R693 PolarHBondContact O-N 3.26Å
694	F	33.5	Very low	27	Very low	273 Å²	273	167.5 Å²	167.5	100%	1.197	84%	0.837	S	S	*	*			trans	-115	0	144.8	-97.7	-79.7	0	0	0	107.5	T692	T692-F694 PolarHBondContact O-N 3.06Å

Retrieved 694 of 694 residues in 347.8 ms (Link to these results)

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