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Isoform 23 of Protocadherin-15 AlphaSync

Canonical isoform description: Calcium-dependent cell-adhesion protein. Required for inner ear neuroepithelial cell elaboration and cochlear function. Probably involved in the maintenance of normal retinal function.

AlphaFold DB , UniProt , Accession Q99PJ1-23 (canonical: Q99PJ1), Species MOUSE (Mus musculus, Mouse), Gene Pcdh15, Length 650 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.7	Very low	38.6	Very low	228 Å²	228	149.1 Å²	149.1	100%	1.123	75%	0.749	S	S	*	*				0	107.2	0	-168.6	172.1	168.9	0	0	106.8
2	F	36.5	Very low	39.1	Very low	172 Å²	172	144.3 Å²	144.3	75%	0.754	74%	0.736	S	S	*	*			trans	54.4	106	159.9	-69.6	-91.4	0	0	0	118.3
3	L	34.6	Very low	39	Very low	127 Å²	127	147.5 Å²	147.5	67%	0.665	75%	0.746	S	S	*	*				85	141	92.6	-103.8	73.9	0	0	0	111.2
4	Q	35.3	Very low	39.1	Very low	123 Å²	123	141.6 Å²	141.6	58%	0.575	74%	0.741	S	S	*	*			cis	176.6	154.4	-4	-129.4	174.5	8.1	0	0	106.3
5	F	39.5	Very low	39.4	Very low	174 Å²	174	143.1 Å²	143.1	76%	0.763	75%	0.747	S	S	*	*			trans	66.6	152.2	141.6	-69.9	-39.1	0	0	0	119.6
6	A	42.8	Very low	39.5	Very low	74 Å²	74	142.6 Å²	142.6	61%	0.612	75%	0.745	S	S	*	*			cis	177.1	133.5	0.5	0	0	0	0	0	104.3
7	V	41	Very low	39.5	Very low	118 Å²	118	145.1 Å²	145.1	72%	0.715	76%	0.757	S	S	*	*				116.6	124.1	86.3	158.1	0	0	0	0	112.1
8	W	37.1	Very low	39.6	Very low	213 Å²	213	141.3 Å²	141.3	81%	0.807	75%	0.75	S	S	*	*			trans	61	154.1	145.1	-85.3	-23.5	0	0	0	121.2
9	K	38.6	Very low	39.8	Very low	133 Å²	133	138.5 Å²	138.5	58%	0.578	74%	0.743	S	S	*	*			cis	-165.2	145.3	17.3	-124	153	-178.3	173.7	0	105.5
10	C	41.4	Very low	39.8	Very low	127 Å²	127	139.9 Å²	139.9	86%	0.858	75%	0.749	S	S	*	*				-179.2	145.5	94.1	-93.3	0	0	0	0	112.3
11	L	37.3	Very low	39.8	Very low	151 Å²	151	141.2 Å²	141.2	79%	0.791	76%	0.755	S	S	*	*			trans	-65.2	-169.2	179.4	-83.5	106.4	0	0	0	116
12	P	44.3	Very low	39.7	Very low	91 Å²	91	136.3 Å²	136.3	59%	0.591	74%	0.738	S	S	*	*			cis	-141	169	-32	28.9	-8.1	0	0	0	115.4
13	H	38.7	Very low	39.8	Very low	187 Å²	187	133.7 Å²	133.7	87%	0.866	74%	0.736	S	S	*	*				151.8	126.4	128.9	-84.5	1	0	0	0	112.7
14	G	39.7	Very low	40	Very low	65 Å²	65	131.4 Å²	131.4	67%	0.67	73%	0.73	S	S	*	*			trans	112.1	104.3	144.8	0	0	0	0	0	118.1
15	I	44	Very low	40.1	Very low	163 Å²	163	136 Å²	136	84%	0.836	74%	0.743	S	S	*	*			trans	83.6	133.2	134.2	-57.2	166.9	0	0	0	118
16	L	40.8	Very low	40.4	Very low	136 Å²	136	130.4 Å²	130.4	71%	0.712	73%	0.734	S	S	*	*			trans	86.5	79.9	162.4	-75.8	153.8	0	0	0	119.5	A18	L16-A18 HydrophobicContact CD2-CB 3.98Å; L16-A18 PolarHBondContact O-N 2.72Å
17	I	39.7	Very low	40.8	Very low	185 Å²	185	134 Å²	134	95%	0.949	74%	0.738	S	S	*	*			trans	-73.5	87.5	146.1	-61.2	168	0	0	0	107.1
18	A	42	Very low	41.4	Very low	77 Å²	77	134.3 Å²	134.3	64%	0.636	73%	0.727	S	S	*	*			trans	-169.4	33.1	171	0	0	0	0	0	115.7	L16	L16-A18 HydrophobicContact CD2-CB 3.98Å; L16-A18 PolarHBondContact O-N 2.72Å
19	S	42.2	Very low	42.7	Very low	88 Å²	88	129.1 Å²	129.1	62%	0.615	72%	0.715	S	S	*	*			trans	-138.8	11.5	-172.6	44.3	0	0	0	0	116.6
20	L	41	Very low	44.9	Very low	166 Å²	166	125.5 Å²	125.5	87%	0.869	70%	0.702	S	S	*	*	S	Bend	trans	-102.3	11.9	-178.8	-83.3	155.3	0	0	0	115.4
21	L	38.7	Very low	47.2	Very low	168 Å²	168	120.3 Å²	120.3	88%	0.88	67%	0.666	S	S	*	*	S	Bend	trans	-128.4	8.9	177	-85.5	158.2	0	0	0	115.1
22	V	38.4	Very low	49.8	Very low	124 Å²	124	113.1 Å²	113.1	75%	0.752	63%	0.628	S	S	*	*			trans	-113.5	44.2	175.5	-165.2	0	0	0	0	110.8
23	V	38.6	Very low	52.1	Low	117 Å²	117	112.6 Å²	112.6	71%	0.709	62%	0.617	S	S	*	*	S	Bend	trans	-114.2	0	-177.8	-175.6	0	0	0	0	112.8
24	S	38.6	Very low	54.6	Low	79 Å²	79	105.6 Å²	105.6	55%	0.552	59%	0.585	S	S	*	*	S	Bend	trans	-124.5	6.4	-178.2	63.6	0	0	0	0	116.9
25	W	38.3	Very low	57.1	Low	221 Å²	221	105.3 Å²	105.3	84%	0.837	58%	0.577	S	S	*	*	S	Bend	trans	-117.8	-14.4	-179.7	-74.8	55.1	0	0	0	114.7	Q27	W25-Q27 VanDerWaalsContact C-N 3.33Å; W25-Q27 PolarHBondContact O-N 3.1Å
26	G	44.6	Very low	59.3	Low	56 Å²	56	100.8 Å²	100.8	58%	0.577	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-9.4	178.1	0	0	0	0	0	114.9	Y28	G26-Y28 VanDerWaalsContact C-N 3.33Å; G26-Y28 PolarHBondContact O-N 3.26Å
27	Q	52.3	Low	61.5	Low	149 Å²	149	97.6 Å²	97.6	70%	0.696	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.9	-171.4	-134.4	167.8	-12.6	0	0	113.5	W25	W25-Q27 VanDerWaalsContact C-N 3.33Å; W25-Q27 PolarHBondContact O-N 3.1Å
28	Y	53.4	Low	63.8	Low	125 Å²	125	92 Å²	92	49%	0.49	54%	0.537	S	S	.	.	S	Bend	trans	-94.6	-19.2	-176.4	-67.3	-54.6	0	0	0	114.8	G26 D30 N122 K124	G26-Y28 VanDerWaalsContact C-N 3.33Å; G26-Y28 PolarHBondContact O-N 3.26Å; Y28-D30 PolarHBondContact O-N 2.74Å; Y28-N122 PolarHBondContact O-ND2 3Å; Y28-K124 HydrophobicContact CD1-CD 3.26Å; Y28-K124 VanDerWaalsContact CD1-CE 3.44Å; Y28-K124 HydrophobicContact CE1-CD 3.67Å; Y28-K124 HydrophobicContact CG-CD 3.81Å
29	D	64	Low	66.1	Low	103 Å²	103	92.1 Å²	92.1	55%	0.551	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-1.9	176.2	-160.7	27.5	0	0	0	112.5	K33	D29-K33 WeakPolarHBondContact O-CE 3.47Å; D29-K33 PolarHBondContact O-NZ 2.99Å
30	D	85	Confident	68.5	Low	58 Å²	58	92.9 Å²	92.9	31%	0.31	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-15.8	-179.3	-97.3	11.2	0	0	0	113.7	Y28 K33 K63	Y28-D30 PolarHBondContact O-N 2.74Å; D30-K33 WeakPolarHBondContact O-CB 3.5Å; D30-K33 PolarHBondContact O-N 3.29Å; D30-K33 VanDerWaalsContact O-N 3.07Å; D30-K33 IonicContact OD1-NZ 2.93Å; D30-K33 PolarHBondContact OD1-NZ 3.5Å; D30-K63 HydrophobicContact CB-CD 3.95Å; D30-K63 VanDerWaalsContact O-CB 3.31Å; D30-K63 WeakPolarHBondContact O-CB 3.48Å; D30-K63 WeakPolarHBondContact O-CD 3.44Å; D30-K63 IonicContact OD2-NZ 3.49Å; D30-K63 PolarHBondContact OD2-NZ 2.72Å
31	D	89.2	Confident	71	Confident	18 Å²	18	85.6 Å²	85.6	10%	0.096	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	137.7	173.5	-81.6	-20.9	0	0	0	109.2	K33 G64 T72 I73 N122 K124	D31-K33 VanDerWaalsContact C-N 3.35Å; D31-K33 PolarHBondContact O-N 2.85Å; D31-G64 VanDerWaalsContact OD1-CA 3.28Å; D31-G64 WeakPolarHBondContact OD1-CA 3.45Å; D31-T72 PolarHBondContact OD1-OG1 3.43Å; D31-T72 VanDerWaalsContact OD2-CB 3.23Å; D31-T72 WeakPolarHBondContact OD2-CB 2.9Å; D31-T72 PolarHBondContact OD2-OG1 2.82Å; D31-I73 HydrophobicContact CB-CG2 3.91Å; D31-N122 WeakPolarHBondContact CB-ND2 3.47Å; D31-N122 PolarHBondContact O-ND2 3.33Å; D31-K124 IonicContact OD2-NZ 3.36Å; D31-K124 PolarHBondContact OD2-NZ 3.35Å
32	C	92.2	Very high	73.7	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	-7.5	-168.4	-68.2	0	0	0	0	118.1	K63 C120 N122 I129 H131	C32-K63 PolarHBondContact N-O 2.69Å; C32-C120 WeakPolarHBondContact CA-SG 3.49Å; C32-C120 HydrophobicContact CB-CB 3.66Å; C32-C120 WeakPolarHBondContact CB-SG 3.2Å; C32-C120 WeakPolarHBondContact SG-CB 3.27Å; C32-C120 PolarHBondContact SG-O 2.64Å; C32-C120 CovalentContact SG-SG 2.03Å; C32-C120 PolarHBondContact SG-SG 2.72Å; C32-N122 PolarHBondContact SG-N 3.05Å; C32-N122 VanDerWaalsContact SG-N 3.39Å; C32-I129 HydrophobicContact CB-CB 4.28Å; C32-I129 HydrophobicContact CB-CD1 3.88Å; C32-I129 HydrophobicContact CB-CG1 4.25Å; C32-H131 PolarHBondContact O-CE1 2.75Å; C32-H131 PolarHBondContact O-NE2 2.57Å
33	K	93	Very high	76.4	Confident	80 Å²	80	77.3 Å²	77.3	35%	0.348	45%	0.45	S	S	.	.	S	Bend	trans	-79.3	154.8	171.9	-61.2	-179.4	-167.9	154	0	111.1	D29 D30 D31 K63 I129	D29-K33 WeakPolarHBondContact O-CE 3.47Å; D29-K33 PolarHBondContact O-NZ 2.99Å; D30-K33 WeakPolarHBondContact O-CB 3.5Å; D30-K33 PolarHBondContact O-N 3.29Å; D30-K33 VanDerWaalsContact O-N 3.07Å; D30-K33 IonicContact OD1-NZ 2.93Å; D30-K33 PolarHBondContact OD1-NZ 3.5Å; D31-K33 VanDerWaalsContact C-N 3.35Å; D31-K33 PolarHBondContact O-N 2.85Å; K33-K63 WeakPolarHBondContact O-CB 3.32Å; K33-K63 WeakPolarHBondContact O-CG 3.37Å; K33-K63 PolarHBondContact O-N 2.91Å; K33-I129 HydrophobicContact CG-CD1 4.3Å
34	L	92	Very high	79.2	Confident	39 Å²	39	73.4 Å²	73.4	20%	0.204	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-69.3	134.3	174.7	-68.7	171.9	0	0	0	111	R36 I62	L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 HydrophobicContact CB-CG 4.19Å; L34-I62 HydrophobicContact CD2-CG1 4.18Å
35	A	91.5	Very high	81.9	Confident	60 Å²	60	71.8 Å²	71.8	50%	0.496	42%	0.417	S	S	.	.	S	Bend	trans	-91.3	19.7	173.1	0	0	0	0	0	112.3	L61 K63	A35-L61 HydrophobicContact CB-CB 4.44Å; A35-L61 VanDerWaalsContact CB-O 3.32Å; A35-L61 WeakPolarHBondContact CB-O 3.34Å; A35-L61 PolarHBondContact N-O 3.42Å; A35-K63 HydrophobicContact CB-CG 3.82Å
36	R	89.9	Confident	84.8	Confident	68 Å²	68	61.9 Å²	61.9	26%	0.257	38%	0.381	S	S	.	.	S	Bend	trans	-125.4	153.6	177.8	63.4	174.2	-176.5	81.1	-5	111	L34 P39 A41 T42 L61	L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 HydrophobicContact CB-CG 4.19Å; R36-P39 PolarHBondContact NH1-O 3.02Å; R36-P39 PolarHBondContact NH2-O 2.82Å; R36-A41 PolarHBondContact NH2-O 3.4Å; R36-A41 VanDerWaalsContact NH2-O 3.08Å; R36-T42 PolarHBondContact NH2-OG1 3.21Å; R36-L61 HydrophobicContact CB-CB 4.48Å; R36-L61 HydrophobicContact CB-CD1 3.94Å
37	G	86.9	Confident	87.2	Confident	68 Å²	68	61.3 Å²	61.3	70%	0.701	37%	0.365	S	S	*	.			trans	-74.2	175.3	163.6	0	0	0	0	0	112
38	G	87.2	Confident	89.4	Confident	68 Å²	68	54.3 Å²	54.3	70%	0.701	33%	0.332	S	S	*	.	S	Bend	trans	97.6	-172.8	176.9	0	0	0	0	0	113.9
39	P	91.7	Very high	91.4	Very high	80 Å²	80	53.1 Å²	53.1	52%	0.519	33%	0.331	S	S	.	.			trans	-66.3	157.8	-178.2	28.5	-34.8	0	0	0	111.7	R36 A41	R36-P39 PolarHBondContact NH1-O 3.02Å; R36-P39 PolarHBondContact NH2-O 2.82Å; P39-A41 VanDerWaalsContact C-N 3.27Å; P39-A41 PolarHBondContact O-N 2.88Å
40	P	91.5	Very high	93	Very high	103 Å²	103	49.3 Å²	49.3	67%	0.669	31%	0.312	S	S	*	.	S	Bend	trans	-63.7	-32.4	179.6	25.3	-34	0	0	0	112.6
41	A	93.9	Very high	93.5	Very high	14 Å²	14	56.9 Å²	56.9	12%	0.116	34%	0.336	C	S	.	.	S	Bend	trans	-73.8	136.8	175.1	0	0	0	0	0	111	R36 P39 I43 E132	R36-A41 PolarHBondContact NH2-O 3.4Å; R36-A41 VanDerWaalsContact NH2-O 3.08Å; P39-A41 VanDerWaalsContact C-N 3.27Å; P39-A41 PolarHBondContact O-N 2.88Å; A41-I43 HydrophobicContact CB-CG1 4.26Å; A41-E132 CarbonylContact C-O 3.28Å; A41-E132 WeakPolarHBondContact CA-O 3.32Å; A41-E132 HydrophobicContact CB-CB 4.36Å
42	T	95.1	Very high	93.8	Very high	15 Å²	15	59.9 Å²	59.9	9%	0.092	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	111.1	167.3	-60.6	0	0	0	0	107.7	R36 V44 V57 M60 E132 V133 R134	R36-T42 PolarHBondContact NH2-OG1 3.21Å; T42-V44 HydrophobicContact CG2-CG1 4.38Å; T42-V57 HydrophobicContact CG2-CG1 4.16Å; T42-V57 HydrophobicContact CG2-CG2 3.92Å; T42-M60 HydrophobicContact CG2-SD 4.3Å; T42-E132 PolarHBondContact N-O 2.8Å; T42-V133 CarbonylContact O-C 3.49Å; T42-V133 VanDerWaalsContact O-CA 3.3Å; T42-V133 WeakPolarHBondContact O-CA 3.48Å; T42-R134 PolarHBondContact O-N 3.42Å
43	I	95.5	Very high	94	Very high	103 Å²	103	61.7 Å²	61.7	53%	0.528	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.5	-178.4	-52.9	177.4	0	0	0	108.5	A41 R134 V136	A41-I43 HydrophobicContact CB-CG1 4.26Å; I43-R134 WeakPolarHBondContact CA-O 3.28Å; I43-R134 HydrophobicContact CG1-CB 4.29Å; I43-V136 HydrophobicContact CG2-CG2 4.35Å
44	V	96.3	Very high	94.2	Very high	35 Å²	35	59.8 Å²	59.8	21%	0.212	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	162	178	-65.1	0	0	0	0	109.4	T42 L56 V57 R134 I135 V136	T42-V44 HydrophobicContact CG2-CG1 4.38Å; V44-L56 WeakPolarHBondContact CG1-O 3.18Å; V44-L56 WeakPolarHBondContact CG2-O 3.36Å; V44-V57 HydrophobicContact CG1-CG2 4Å; V44-V57 HydrophobicContact CG2-CG2 4.21Å; V44-R134 PolarHBondContact N-O 3.3Å; V44-I135 HydrophobicContact CG2-CB 4.26Å; V44-I135 HydrophobicContact CG2-CG1 3.78Å; V44-I135 HydrophobicContact CG2-CG2 4.31Å; V44-I135 WeakPolarHBondContact O-CA 3.47Å; V44-V136 PolarHBondContact O-N 3.15Å
45	A	97.2	Very high	94.4	Very high	44 Å²	44	61.9 Å²	61.9	36%	0.364	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	134.8	177.9	0	0	0	0	0	110.4	V136 R138	A45-V136 VanDerWaalsContact CA-O 3.23Å; A45-V136 WeakPolarHBondContact CA-O 3.38Å; A45-V136 HydrophobicContact CB-CB 4.15Å; A45-R138 HydrophobicContact CB-CG 4.26Å; A45-R138 PolarHBondContact O-NH1 2.77Å
46	I	97.4	Very high	94.7	Very high	13 Å²	13	59.5 Å²	59.5	7%	0.067	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	159.4	175.3	57.8	163.3	0	0	0	109	T54 L56 L96 L103 I135 V136 R138	I46-T54 HydrophobicContact CG2-CG2 4.36Å; I46-L56 HydrophobicContact CD1-CD2 3.59Å; I46-L56 HydrophobicContact CG1-CD2 4.31Å; I46-L56 HydrophobicContact CG2-CD2 3.9Å; I46-L96 HydrophobicContact CD1-CD1 4.49Å; I46-L96 HydrophobicContact CD1-CD2 4.1Å; I46-L103 HydrophobicContact CD1-CD2 3.48Å; I46-L103 VanDerWaalsContact CD1-CD2 3.48Å; I46-L103 HydrophobicContact CG1-CD2 4.34Å; I46-I135 HydrophobicContact CD1-CG2 4.06Å; I46-I135 HydrophobicContact CG1-CG2 3.73Å; I46-V136 PolarHBondContact N-O 3.05Å; I46-V136 VanDerWaalsContact N-O 3.08Å; I46-R138 PolarHBondContact O-N 2.76Å
47	D	96.9	Very high	95	Very high	45 Å²	45	56.7 Å²	56.7	24%	0.241	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	150.7	172.2	-58.8	-11.6	0	0	0	109.3	S50 R138 R140	D47-S50 VanDerWaalsContact O-CB 3.32Å; D47-S50 WeakPolarHBondContact O-CB 3.15Å; D47-S50 PolarHBondContact O-OG 3.19Å; D47-R138 IonicContact OD1-CZ 3.08Å; D47-R138 IonicContact OD1-NE 2.65Å; D47-R138 PolarHBondContact OD1-NE 2.87Å; D47-R138 IonicContact OD1-NH2 2.7Å; D47-R138 PolarHBondContact OD1-NH2 3.23Å; D47-R140 HydrophobicContact CB-CG 3.97Å; D47-R140 IonicContact OD2-NH1 3.61Å; D47-R140 PolarHBondContact OD2-NH1 2.99Å
48	E	97.1	Very high	95.4	Very high	2 Å²	2	59 Å²	59	1%	0.009	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	163.1	164.3	78.9	-173.9	100.9	0	0	112.1	S50 L103 R105 V137 R138 D139 R140	E48-S50 PolarHBondContact O-N 3.37Å; E48-L103 CarbonylContact C-O 3.41Å; E48-L103 WeakPolarHBondContact CA-O 3.36Å; E48-L103 WeakPolarHBondContact CB-O 3.12Å; E48-R105 HydrophobicContact CB-CB 4.01Å; E48-R105 WeakPolarHBondContact OE2-CA 3.5Å; E48-R105 WeakPolarHBondContact OE2-CB 3.42Å; E48-R105 PolarHBondContact OE2-N 2.96Å; E48-V137 HydrophobicContact CB-CG1 3.64Å; E48-R138 PolarHBondContact N-O 2.75Å; E48-D139 WeakPolarHBondContact OE1-CA 3.4Å; E48-R140 HydrophobicContact CG-CB 3.95Å; E48-R140 HydrophobicContact CG-CG 4.01Å; E48-R140 PolarHBondContact OE1-N 3.04Å
49	E	95.8	Very high	95.8	Very high	100 Å²	100	59.3 Å²	59.3	47%	0.467	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	15.8	-172.6	-45.9	-150.3	132.2	0	0	115.2	R51 V102 L103	E49-R51 PolarHBondContact O-N 2.77Å; E49-V102 HydrophobicContact CB-CG1 3.72Å; E49-V102 HydrophobicContact CG-CG1 3.4Å; E49-V102 WeakPolarHBondContact OE1-CG1 3.41Å; E49-L103 PolarHBondContact N-O 3.37Å
50	S	96.7	Very high	96	Very high	23 Å²	23	55.6 Å²	55.6	16%	0.161	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-54	137.9	179.1	-79.7	0	0	0	0	111.3	D47 E48 L96 S98	D47-S50 VanDerWaalsContact O-CB 3.32Å; D47-S50 WeakPolarHBondContact O-CB 3.15Å; D47-S50 PolarHBondContact O-OG 3.19Å; E48-S50 PolarHBondContact O-N 3.37Å; S50-L96 VanDerWaalsContact O-CD2 3.29Å; S50-L96 WeakPolarHBondContact O-CD2 3.49Å; S50-S98 PolarHBondContact O-OG 3.07Å
51	R	96.4	Very high	96.1	Very high	217 Å²	217	54.2 Å²	54.2	82%	0.819	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-58.3	145.8	-174.8	-63.6	-179.3	-176.4	178.9	1.5	111.2	E49 G53 T54	E49-R51 PolarHBondContact O-N 2.77Å; R51-G53 PolarHBondContact O-N 3.29Å; R51-T54 PolarHBondContact N-OG1 2.8Å; R51-T54 WeakPolarHBondContact O-CB 3.24Å; R51-T54 PolarHBondContact O-N 3.09Å; R51-T54 PolarHBondContact O-OG1 3.42Å
52	N	96.2	Very high	96.2	Very high	80 Å²	80	53.9 Å²	53.9	43%	0.428	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	134.9	172	179.2	71.6	0	0	0	111.1	L96 N97 S98 T99	N52-L96 PolarHBondContact OD1-O 3.02Å; N52-N97 WeakPolarHBondContact OD1-CA 3.31Å; N52-S98 WeakPolarHBondContact CA-OG 3.34Å; N52-S98 WeakPolarHBondContact CB-OG 3.27Å; N52-S98 PolarHBondContact N-OG 2.92Å; N52-S98 VanDerWaalsContact N-OG 3.07Å; N52-S98 PolarHBondContact OD1-N 3.05Å; N52-T99 PolarHBondContact ND2-OG1 3.49Å; N52-T99 VanDerWaalsContact ND2-OG1 3.11Å; N52-T99 PolarHBondContact OD1-N 3.09Å; N52-T99 PolarHBondContact OD1-OG1 3.09Å
53	G	95.4	Very high	96.1	Very high	39 Å²	39	56.8 Å²	56.8	40%	0.402	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	5.3	-174.2	0	0	0	0	0	114.9	R51 I55 L96	R51-G53 PolarHBondContact O-N 3.29Å; G53-I55 PolarHBondContact O-N 2.84Å; G53-L96 PolarHBondContact N-O 3.18Å
54	T	96.9	Very high	95.9	Very high	39 Å²	39	53 Å²	53	24%	0.239	29%	0.285	C	S	.	.			trans	-57.3	130.5	173.5	-66.3	0	0	0	0	110.1	I46 R51 L56 F95 L96	I46-T54 HydrophobicContact CG2-CG2 4.36Å; R51-T54 PolarHBondContact N-OG1 2.8Å; R51-T54 WeakPolarHBondContact O-CB 3.24Å; R51-T54 PolarHBondContact O-N 3.09Å; R51-T54 PolarHBondContact O-OG1 3.42Å; T54-L56 PolarHBondContact O-N 2.94Å; T54-F95 CarbonylContact O-C 3.56Å; T54-F95 VanDerWaalsContact O-CA 3.31Å; T54-F95 WeakPolarHBondContact O-CA 3.15Å; T54-L96 PolarHBondContact O-N 3.34Å
55	I	97.3	Very high	95.8	Very high	84 Å²	84	55.1 Å²	55.1	43%	0.431	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	117.4	178.2	-60.9	170.4	0	0	0	108.3	G53 D58 M93 F95	G53-I55 PolarHBondContact O-N 2.84Å; I55-D58 HydrophobicContact CG2-CB 4.27Å; I55-M93 HydrophobicContact CD1-SD 4.08Å; I55-M93 HydrophobicContact CG1-SD 4.25Å; I55-M93 HydrophobicContact CG2-CG 4.13Å; I55-M93 HydrophobicContact CG2-SD 4.05Å; I55-F95 HydrophobicContact CG1-CD1 4.07Å; I55-F95 HydrophobicContact CG1-CE1 4.05Å
56	L	97	Very high	95.6	Very high	9 Å²	9	54.2 Å²	54.2	5%	0.047	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-46.9	176.9	-60	176.6	0	0	0	110.6	V44 I46 T54 V85 L94 L96 I135	V44-L56 WeakPolarHBondContact CG1-O 3.18Å; V44-L56 WeakPolarHBondContact CG2-O 3.36Å; I46-L56 HydrophobicContact CD1-CD2 3.59Å; I46-L56 HydrophobicContact CG1-CD2 4.31Å; I46-L56 HydrophobicContact CG2-CD2 3.9Å; T54-L56 PolarHBondContact O-N 2.94Å; L56-V85 HydrophobicContact CD1-CB 4.35Å; L56-V85 HydrophobicContact CD1-CG1 4.02Å; L56-V85 HydrophobicContact CD1-CG2 3.8Å; L56-L94 HydrophobicContact CB-CB 4.09Å; L56-L94 PolarHBondContact N-O 3.22Å; L56-L96 HydrophobicContact CD1-CB 4.44Å; L56-L96 HydrophobicContact CD2-CB 4.08Å; L56-L96 HydrophobicContact CG-CB 4.32Å; L56-I135 HydrophobicContact CD1-CG1 4.3Å; L56-I135 HydrophobicContact CD2-CG2 4.09Å
57	V	96.5	Very high	95.2	Very high	10 Å²	10	54.8 Å²	54.8	6%	0.061	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	116.7	177.5	-178.1	0	0	0	0	107.5	T42 V44 M60 M93 L94 V133	T42-V57 HydrophobicContact CG2-CG1 4.16Å; T42-V57 HydrophobicContact CG2-CG2 3.92Å; V44-V57 HydrophobicContact CG1-CG2 4Å; V44-V57 HydrophobicContact CG2-CG2 4.21Å; V57-M60 HydrophobicContact CB-SD 4.42Å; V57-M60 HydrophobicContact CG1-CG 4.24Å; V57-M60 HydrophobicContact CG1-SD 3.86Å; V57-M60 HydrophobicContact CG2-SD 4.43Å; V57-M93 CarbonylContact O-C 3.57Å; V57-M93 WeakPolarHBondContact O-CA 3.03Å; V57-M93 WeakPolarHBondContact O-CG 3.46Å; V57-L94 HydrophobicContact CB-CB 4.06Å; V57-L94 HydrophobicContact CB-CD1 4.17Å; V57-L94 HydrophobicContact CB-CG 4.21Å; V57-L94 HydrophobicContact CG2-CB 4.37Å; V57-L94 HydrophobicContact CG2-CD1 3.93Å; V57-L94 HydrophobicContact CG2-CG 4.48Å; V57-L94 PolarHBondContact N-O 3.03Å; V57-L94 PolarHBondContact O-N 3.45Å; V57-V133 HydrophobicContact CG2-CG1 3.93Å
58	D	95.6	Very high	94.8	Very high	117 Å²	117	55.7 Å²	55.7	63%	0.626	32%	0.319	S	S	*	.	S	Bend	trans	-65.2	-40.8	-178.1	-171.7	56.2	0	0	0	112.2	I55 M93	I55-D58 HydrophobicContact CG2-CB 4.27Å; D58-M93 WeakPolarHBondContact O-CB 3.48Å
59	N	95.6	Very high	94.4	Very high	74 Å²	74	61.5 Å²	61.5	40%	0.396	36%	0.357	S	S	.	.			trans	-155.3	124.1	175.5	-170.2	-25.5	0	0	0	110.6	L61 Q92	N59-L61 HydrophobicContact CB-CD2 4.4Å; N59-L61 PolarHBondContact O-N 2.81Å; N59-L61 PolarHBondContact OD1-N 2.68Å; N59-Q92 WeakPolarHBondContact CA-O 3.29Å
60	M	94.8	Very high	94.2	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.01	37%	0.37	C	S	.	.			trans	-68.1	-17.3	177.9	-73.9	-70.3	-65.6	0	0	114	T42 V57 I62 Q92 L94 V118 H131 V133	T42-M60 HydrophobicContact CG2-SD 4.3Å; V57-M60 HydrophobicContact CB-SD 4.42Å; V57-M60 HydrophobicContact CG1-CG 4.24Å; V57-M60 HydrophobicContact CG1-SD 3.86Å; V57-M60 HydrophobicContact CG2-SD 4.43Å; M60-I62 VanDerWaalsContact C-N 3.29Å; M60-I62 HydrophobicContact CB-CD1 3.81Å; M60-I62 HydrophobicContact CB-CG1 3.88Å; M60-I62 HydrophobicContact CE-CD1 4.34Å; M60-I62 HydrophobicContact CG-CD1 4.46Å; M60-I62 PolarHBondContact O-N 2.98Å; M60-Q92 HydrophobicContact CB-CB 4.06Å; M60-Q92 PolarHBondContact N-O 3.48Å; M60-L94 HydrophobicContact SD-CD1 4.1Å; M60-V118 HydrophobicContact CE-CB 4.08Å; M60-V118 HydrophobicContact CE-CG2 3.89Å; M60-V118 HydrophobicContact SD-CG2 4.34Å; M60-H131 HydrophobicContact CE-CB 3.68Å; M60-V133 HydrophobicContact CE-CG2 3.65Å; M60-V133 HydrophobicContact SD-CG2 3.72Å
61	L	95.1	Very high	93.9	Very high	74 Å²	74	63.9 Å²	63.9	39%	0.387	37%	0.373	S	S	.	.			trans	56	42	-178.3	-59.9	171.9	0	0	0	112.3	A35 R36 N59	A35-L61 HydrophobicContact CB-CB 4.44Å; A35-L61 VanDerWaalsContact CB-O 3.32Å; A35-L61 WeakPolarHBondContact CB-O 3.34Å; A35-L61 PolarHBondContact N-O 3.42Å; R36-L61 HydrophobicContact CB-CB 4.48Å; R36-L61 HydrophobicContact CB-CD1 3.94Å; N59-L61 HydrophobicContact CB-CD2 4.4Å; N59-L61 PolarHBondContact O-N 2.81Å; N59-L61 PolarHBondContact OD1-N 2.68Å
62	I	94.9	Very high	93.8	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.036	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-84.4	127.5	173.5	-60.2	166.1	0	0	0	108.4	L34 M60 G64 I73 L75 Q92 V118 C120	L34-I62 HydrophobicContact CD2-CG1 4.18Å; M60-I62 VanDerWaalsContact C-N 3.29Å; M60-I62 HydrophobicContact CB-CD1 3.81Å; M60-I62 HydrophobicContact CB-CG1 3.88Å; M60-I62 HydrophobicContact CE-CD1 4.34Å; M60-I62 HydrophobicContact CG-CD1 4.46Å; M60-I62 PolarHBondContact O-N 2.98Å; I62-G64 PolarHBondContact O-N 2.89Å; I62-I73 HydrophobicContact CG2-CD1 4.15Å; I62-L75 HydrophobicContact CD1-CD1 4.39Å; I62-L75 HydrophobicContact CD1-CD2 3.8Å; I62-L75 HydrophobicContact CG2-CD2 4.43Å; I62-Q92 PolarHBondContact O-NE2 3.22Å; I62-Q92 PolarHBondContact O-OE1 3.43Å; I62-V118 HydrophobicContact CD1-CG1 3.92Å; I62-C120 HydrophobicContact CG2-CB 4.35Å
63	K	93.8	Very high	93.7	Very high	75 Å²	75	50.8 Å²	50.8	33%	0.326	32%	0.321	S	S	.	.	S	Bend	trans	-63.1	134	176.6	-70.3	-177.6	177.7	175.4	0	110.7	D30 C32 K33 A35	D30-K63 HydrophobicContact CB-CD 3.95Å; D30-K63 VanDerWaalsContact O-CB 3.31Å; D30-K63 WeakPolarHBondContact O-CB 3.48Å; D30-K63 WeakPolarHBondContact O-CD 3.44Å; D30-K63 IonicContact OD2-NZ 3.49Å; D30-K63 PolarHBondContact OD2-NZ 2.72Å; C32-K63 PolarHBondContact N-O 2.69Å; K33-K63 WeakPolarHBondContact O-CB 3.32Å; K33-K63 WeakPolarHBondContact O-CG 3.37Å; K33-K63 PolarHBondContact O-N 2.91Å; A35-K63 HydrophobicContact CB-CG 3.82Å
64	G	91.4	Very high	93.7	Very high	25 Å²	25	53.8 Å²	53.8	26%	0.258	32%	0.324	S	S	.	.	S	Bend	trans	117.8	168	179.5	0	0	0	0	0	112.9	D31 I62 T72	D31-G64 VanDerWaalsContact OD1-CA 3.28Å; D31-G64 WeakPolarHBondContact OD1-CA 3.45Å; I62-G64 PolarHBondContact O-N 2.89Å; G64-T72 VanDerWaalsContact CA-OG1 3.22Å; G64-T72 WeakPolarHBondContact CA-OG1 3.41Å
65	T	93.1	Very high	93.7	Very high	78 Å²	78	52.6 Å²	52.6	48%	0.479	32%	0.316	S	S	.	.			trans	-114.7	116.7	-179.6	52.3	0	0	0	0	110.3	P71 T72 I73	T65-P71 CarbonylContact O-C 3.36Å; T65-P71 WeakPolarHBondContact O-CA 3.37Å; T65-P71 WeakPolarHBondContact O-CB 3.19Å; T65-T72 PolarHBondContact N-OG1 3.48Å; T65-T72 PolarHBondContact O-N 2.76Å; T65-I73 PolarHBondContact O-N 2.83Å
66	A	92.9	Very high	93.6	Very high	26 Å²	26	50.3 Å²	50.3	22%	0.215	31%	0.308	C	S	.	.	S	Bend	trans	-86.9	-20.9	177.2	0	0	0	0	0	113.3	P71 I73 L75 P89	A66-P71 WeakPolarHBondContact O-CB 3.27Å; A66-I73 HydrophobicContact CB-CD1 4.49Å; A66-I73 HydrophobicContact CB-CG1 4.08Å; A66-L75 HydrophobicContact CB-CD1 4.4Å; A66-L75 HydrophobicContact CB-CG 4.38Å; A66-P89 HydrophobicContact CB-CB 4.34Å; A66-P89 WeakPolarHBondContact CB-O 3.42Å
67	G	89.1	Confident	93.6	Very high	25 Å²	25	51.7 Å²	51.7	26%	0.258	32%	0.315	S	S	.	.	S	Bend	trans	-105.5	174.5	176.2	0	0	0	0	0	113.1
68	G	88.4	Confident	93.6	Very high	63 Å²	63	55.8 Å²	55.8	65%	0.649	33%	0.332	S	S	*	.	S	Bend	trans	90.5	-179.6	-176.7	0	0	0	0	0	113.3
69	P	89.9	Confident	93.6	Very high	125 Å²	125	55.5 Å²	55.5	81%	0.812	33%	0.33	S	S	*	.	S	Bend	trans	-69.6	-31.6	-176	26.9	-33.5	0	0	0	113.2	P71	P69-P71 WeakPolarHBondContact O-CD 3.05Å
70	D	90.3	Very high	93.6	Very high	137 Å²	137	53.3 Å²	53.3	73%	0.733	32%	0.319	S	S	*	.	S	Bend	trans	-123.6	72.7	-177	-65.1	-46.8	0	0	0	111.2	T72	D70-T72 PolarHBondContact O-N 2.91Å
71	P	91.7	Very high	93.6	Very high	35 Å²	35	58 Å²	58	23%	0.227	35%	0.347	C	S	.	.			trans	-66.6	132.7	-179.9	28.6	-35	0	0	0	110.8	T65 A66 P69 K123	T65-P71 CarbonylContact O-C 3.36Å; T65-P71 WeakPolarHBondContact O-CA 3.37Å; T65-P71 WeakPolarHBondContact O-CB 3.19Å; A66-P71 WeakPolarHBondContact O-CB 3.27Å; P69-P71 WeakPolarHBondContact O-CD 3.05Å; P71-K123 HydrophobicContact CG-CD 4.29Å; P71-K123 WeakPolarHBondContact O-CD 3.48Å
72	T	92.9	Very high	93.6	Very high	22 Å²	22	59.1 Å²	59.1	14%	0.135	35%	0.354	C	S	.	.	S	Bend	trans	-89.7	-21.5	179.1	72	0	0	0	0	112.8	D31 G64 T65 D70 K123 K124	D31-T72 PolarHBondContact OD1-OG1 3.43Å; D31-T72 VanDerWaalsContact OD2-CB 3.23Å; D31-T72 WeakPolarHBondContact OD2-CB 2.9Å; D31-T72 PolarHBondContact OD2-OG1 2.82Å; G64-T72 VanDerWaalsContact CA-OG1 3.22Å; G64-T72 WeakPolarHBondContact CA-OG1 3.41Å; T65-T72 PolarHBondContact N-OG1 3.48Å; T65-T72 PolarHBondContact O-N 2.76Å; D70-T72 PolarHBondContact O-N 2.91Å; T72-K123 PolarHBondContact O-N 2.67Å; T72-K124 VanDerWaalsContact CB-NZ 3.33Å
73	I	94.9	Very high	93.6	Very high	1 Å²	1	67 Å²	67	1%	0.005	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	160.2	179.8	61.4	172.4	0	0	0	111	D31 I62 T65 A66 L75 V121	D31-I73 HydrophobicContact CB-CG2 3.91Å; I62-I73 HydrophobicContact CG2-CD1 4.15Å; T65-I73 PolarHBondContact O-N 2.83Å; A66-I73 HydrophobicContact CB-CD1 4.49Å; A66-I73 HydrophobicContact CB-CG1 4.08Å; I73-L75 HydrophobicContact CD1-CD1 4.28Å; I73-L75 HydrophobicContact CD1-CD2 4.16Å; I73-L75 HydrophobicContact CD1-CG 4.16Å; I73-V121 CarbonylContact C-O 3.19Å; I73-V121 VanDerWaalsContact CA-O 3.24Å; I73-V121 WeakPolarHBondContact CA-O 3.37Å
74	E	94.7	Very high	93.8	Very high	101 Å²	101	64 Å²	64	47%	0.472	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.9	169.1	-168.6	173.8	151	0	0	109.3	C120 V121 K123	E74-C120 CarbonylContact O-C 3.56Å; E74-C120 WeakPolarHBondContact O-CA 3.09Å; E74-V121 HydrophobicContact CB-CB 4.18Å; E74-V121 PolarHBondContact N-O 3.2Å; E74-V121 PolarHBondContact O-N 3.3Å; E74-K123 WeakPolarHBondContact OE2-CE 3.41Å; E74-K123 IonicContact OE2-NZ 2.73Å
75	L	96.9	Very high	94.1	Very high	15 Å²	15	62.8 Å²	62.8	8%	0.079	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.2	-178.3	-60.7	179.9	0	0	0	110.6	I62 A66 I73 L87 P89 Q92 V118 Q119 C120	I62-L75 HydrophobicContact CD1-CD1 4.39Å; I62-L75 HydrophobicContact CD1-CD2 3.8Å; I62-L75 HydrophobicContact CG2-CD2 4.43Å; A66-L75 HydrophobicContact CB-CD1 4.4Å; A66-L75 HydrophobicContact CB-CG 4.38Å; I73-L75 HydrophobicContact CD1-CD1 4.28Å; I73-L75 HydrophobicContact CD1-CD2 4.16Å; I73-L75 HydrophobicContact CD1-CG 4.16Å; L75-L87 HydrophobicContact CB-CD2 3.98Å; L75-P89 HydrophobicContact CB-CB 4.03Å; L75-Q92 HydrophobicContact CD1-CB 4.34Å; L75-Q92 HydrophobicContact CD1-CG 3.71Å; L75-V118 HydrophobicContact CD2-CG1 4.23Å; L75-Q119 WeakPolarHBondContact CA-O 3.33Å; L75-C120 HydrophobicContact CD2-CB 3.56Å; L75-C120 VanDerWaalsContact CD2-SG 3.54Å
76	S	96.6	Very high	94.3	Very high	36 Å²	36	63.1 Å²	63.1	25%	0.252	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	160.2	174.9	60.3	0	0	0	0	111.1	V118 Q119	S76-V118 CarbonylContact O-C 3.59Å; S76-V118 WeakPolarHBondContact O-CA 3.37Å; S76-Q119 PolarHBondContact N-O 2.93Å; S76-Q119 PolarHBondContact O-N 2.64Å
77	L	97.3	Very high	94.5	Very high	37 Å²	37	63.6 Å²	63.6	19%	0.194	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	136.3	174.9	-71	169.9	0	0	0	110.9	N80 V85 L87 L94 V116 Q117 V118	L77-N80 HydrophobicContact CB-CB 4.29Å; L77-V85 HydrophobicContact CD1-CB 4.09Å; L77-V85 HydrophobicContact CD1-CG1 3.87Å; L77-V85 VanDerWaalsContact CD1-O 3.31Å; L77-V85 WeakPolarHBondContact CD1-O 3.36Å; L77-V85 HydrophobicContact CD2-CG1 4.29Å; L77-L87 HydrophobicContact CD1-CB 3.81Å; L77-L87 HydrophobicContact CD2-CB 4.49Å; L77-L87 HydrophobicContact CG-CB 3.89Å; L77-L87 HydrophobicContact CG-CD2 4.31Å; L77-L94 HydrophobicContact CD2-CD2 4.07Å; L77-V116 HydrophobicContact CD2-CB 4.41Å; L77-V116 HydrophobicContact CD2-CG2 4.04Å; L77-Q117 CarbonylContact C-O 3.57Å; L77-V118 HydrophobicContact CD2-CG2 3.89Å
78	K	96.6	Very high	94.8	Very high	96 Å²	96	64.4 Å²	64.4	42%	0.417	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	157	168.8	-64.7	-61.5	-175.1	-176.5	0	109.4	N80 Q117 Q119 Y130	K78-N80 PolarHBondContact O-N 3.46Å; K78-N80 VanDerWaalsContact O-N 3.1Å; K78-Q117 HydrophobicContact CB-CB 4.08Å; K78-Q117 PolarHBondContact N-O 3.24Å; K78-Q117 PolarHBondContact O-N 3.27Å; K78-Q119 HydrophobicContact CG-CB 4.02Å; K78-Y130 HydrophobicContact CG-CE1 4.18Å
79	D	95.7	Very high	95.2	Very high	111 Å²	111	63.7 Å²	63.7	59%	0.594	34%	0.338	S	S	*	.	S	Bend	trans	54.2	28.2	-177.8	-50.8	-29.2	0	0	0	114	V81	D79-V81 PolarHBondContact O-N 2.94Å
80	N	95.6	Very high	95.4	Very high	29 Å²	29	62.4 Å²	62.4	16%	0.155	33%	0.327	C	S	.	.			trans	-80.1	68.1	178.4	-172	22.8	0	0	0	111.1	L77 K78 D82 Y83 W84 V85 V116	L77-N80 HydrophobicContact CB-CB 4.29Å; K78-N80 PolarHBondContact O-N 3.46Å; K78-N80 VanDerWaalsContact O-N 3.1Å; N80-D82 PolarHBondContact O-N 3.35Å; N80-Y83 PolarHBondContact O-N 3.18Å; N80-W84 PolarHBondContact OD1-N 3Å; N80-V85 PolarHBondContact ND2-O 3.19Å; N80-V85 PolarHBondContact OD1-N 3.03Å; N80-V116 HydrophobicContact CB-CG1 4.16Å
81	V	94.2	Very high	95.7	Very high	100 Å²	100	61.9 Å²	61.9	61%	0.606	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-54.2	133.8	178.4	-177.1	0	0	0	0	109.6	D79 Y83	D79-V81 PolarHBondContact O-N 2.94Å; V81-Y83 PolarHBondContact O-N 3.46Å
82	D	94.1	Very high	95.9	Very high	98 Å²	98	61 Å²	61	52%	0.524	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	54	13.1	-175.9	-56	-33.6	0	0	0	115.7	N80 W84 R101	N80-D82 PolarHBondContact O-N 3.35Å; D82-W84 VanDerWaalsContact C-N 3.29Å; D82-W84 PolarHBondContact O-N 3.23Å; D82-R101 PolarHBondContact O-NH1 2.92Å; D82-R101 PolarHBondContact O-NH2 3.25Å
83	Y	96.3	Very high	96.1	Very high	172 Å²	172	60.9 Å²	60.9	68%	0.675	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	57.1	38	179	-51.9	-82.4	0	0	0	113.8	N80 V81 V85 N97 R101	N80-Y83 PolarHBondContact O-N 3.18Å; V81-Y83 PolarHBondContact O-N 3.46Å; Y83-V85 PolarHBondContact O-N 2.84Å; Y83-N97 WeakPolarHBondContact O-CB 3.48Å; Y83-N97 PolarHBondContact O-ND2 2.78Å; Y83-R101 PolarHBondContact O-NH2 3.24Å; Y83-R101 VanDerWaalsContact O-NH2 3.17Å
84	W	96.8	Very high	96.2	Very high	11 Å²	11	60.9 Å²	60.9	4%	0.042	31%	0.309	C	S	.	.			trans	-66.3	-24.9	177.2	-74.9	112.7	0	0	0	113.4	N80 D82 L96 N97 R101 V102 L103 M109 I111 I114	N80-W84 PolarHBondContact OD1-N 3Å; D82-W84 VanDerWaalsContact C-N 3.29Å; D82-W84 PolarHBondContact O-N 3.23Å; W84-L96 HydrophobicContact CE3-CD1 3.97Å; W84-L96 CarbonylContact O-C 3.59Å; W84-L96 WeakPolarHBondContact O-CA 3.25Å; W84-N97 PolarHBondContact O-N 3.46Å; W84-R101 HydrophobicContact CH2-CB 4.49Å; W84-R101 HydrophobicContact CH2-CG 3.8Å; W84-R101 HydrophobicContact CZ3-CG 3.95Å; W84-V102 WeakPolarHBondContact CH2-O 3.21Å; W84-L103 HydrophobicContact CD2-CD1 4.38Å; W84-L103 HydrophobicContact CE3-CD1 4.33Å; W84-L103 HydrophobicContact CH2-CB 4.42Å; W84-L103 HydrophobicContact CH2-CD1 4.44Å; W84-L103 HydrophobicContact CZ2-CD1 4.49Å; W84-L103 HydrophobicContact CZ3-CB 4.1Å; W84-L103 HydrophobicContact CZ3-CD1 4.35Å; W84-M109 HydrophobicContact CH2-CE 4.4Å; W84-M109 HydrophobicContact CZ2-CE 4.12Å; W84-I111 HydrophobicContact CZ2-CD1 3.62Å; W84-I114 HydrophobicContact CB-CD1 3.71Å; W84-I114 HydrophobicContact CB-CG1 4.36Å; W84-I114 HydrophobicContact CB-CG2 4.2Å; W84-I114 HydrophobicContact CD2-CD1 4.35Å; W84-I114 HydrophobicContact CG-CD1 3.85Å; W84-I114 HydrophobicContact CG-CG1 4.35Å
85	V	97.5	Very high	96.4	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.7	-176.4	-174.5	0	0	0	0	111.3	L56 L77 N80 Y83 L94 F95 I114 V116 I135	L56-V85 HydrophobicContact CD1-CB 4.35Å; L56-V85 HydrophobicContact CD1-CG1 4.02Å; L56-V85 HydrophobicContact CD1-CG2 3.8Å; L77-V85 HydrophobicContact CD1-CB 4.09Å; L77-V85 HydrophobicContact CD1-CG1 3.87Å; L77-V85 VanDerWaalsContact CD1-O 3.31Å; L77-V85 WeakPolarHBondContact CD1-O 3.36Å; L77-V85 HydrophobicContact CD2-CG1 4.29Å; N80-V85 PolarHBondContact ND2-O 3.19Å; N80-V85 PolarHBondContact OD1-N 3.03Å; Y83-V85 PolarHBondContact O-N 2.84Å; V85-L94 HydrophobicContact CG1-CB 4.01Å; V85-L94 HydrophobicContact CG1-CD1 4.27Å; V85-L94 HydrophobicContact CG1-CD2 3.91Å; V85-L94 HydrophobicContact CG1-CG 4.29Å; V85-F95 CarbonylContact C-O 3.49Å; V85-F95 WeakPolarHBondContact CA-O 3.48Å; V85-I114 HydrophobicContact CG2-CG2 4.06Å; V85-V116 HydrophobicContact CB-CG1 4.22Å; V85-V116 HydrophobicContact CB-CG2 4.4Å; V85-V116 HydrophobicContact CG1-CG2 4.36Å; V85-V116 HydrophobicContact CG2-CG1 3.74Å; V85-V116 HydrophobicContact CG2-CG2 4.09Å; V85-I135 HydrophobicContact CG2-CD1 4.19Å
86	L	97.1	Very high	96.4	Very high	85 Å²	85	57.6 Å²	57.6	45%	0.445	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.1	167.8	-59.9	172.2	0	0	0	109.3	L94 F95 N97	L86-L94 CarbonylContact O-C 3.53Å; L86-L94 VanDerWaalsContact O-CA 3.26Å; L86-L94 WeakPolarHBondContact O-CA 3.5Å; L86-F95 HydrophobicContact CB-CB 4.39Å; L86-F95 PolarHBondContact N-O 3.19Å; L86-F95 PolarHBondContact O-N 2.53Å; L86-N97 HydrophobicContact CD1-CB 3.86Å; L86-N97 HydrophobicContact CD2-CB 4.3Å; L86-N97 HydrophobicContact CG-CB 3.78Å
87	L	97.5	Very high	96.4	Very high	36 Å²	36	57.5 Å²	57.5	19%	0.188	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.3	179.9	168.1	66.1	0	0	0	110.1	L75 L77 P89 L94	L75-L87 HydrophobicContact CB-CD2 3.98Å; L77-L87 HydrophobicContact CD1-CB 3.81Å; L77-L87 HydrophobicContact CD2-CB 4.49Å; L77-L87 HydrophobicContact CG-CB 3.89Å; L77-L87 HydrophobicContact CG-CD2 4.31Å; L87-P89 HydrophobicContact CG-CB 4.47Å; L87-P89 WeakPolarHBondContact O-CD 3.39Å; L87-L94 HydrophobicContact CB-CD2 3.72Å; L87-L94 HydrophobicContact CD1-CD2 3.53Å; L87-L94 HydrophobicContact CG-CD2 4.17Å
88	D	96.9	Very high	96.3	Very high	41 Å²	41	56.3 Å²	56.3	22%	0.219	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	103.6	157.2	178.6	-19.7	0	0	0	107.7	V90 K91 Q92 M93 F95	D88-V90 VanDerWaalsContact C-N 3.27Å; D88-V90 PolarHBondContact O-N 3.18Å; D88-V90 PolarHBondContact OD1-N 3.29Å; D88-K91 HydrophobicContact CB-CB 4.37Å; D88-K91 PolarHBondContact OD1-N 2.94Å; D88-K91 VanDerWaalsContact OD1-N 3.09Å; D88-K91 VanDerWaalsContact OD2-CD 3.28Å; D88-K91 WeakPolarHBondContact OD2-CD 3.4Å; D88-K91 WeakPolarHBondContact OD2-CG 3.29Å; D88-Q92 WeakPolarHBondContact O-CA 3.27Å; D88-Q92 PolarHBondContact O-N 2.76Å; D88-M93 HydrophobicContact CB-CB 4.46Å; D88-M93 PolarHBondContact N-O 2.7Å; D88-M93 PolarHBondContact O-N 2.81Å; D88-M93 VanDerWaalsContact O-N 3.11Å; D88-F95 HydrophobicContact CB-CE2 3.95Å
89	P	95.9	Very high	96.1	Very high	49 Å²	49	56.2 Å²	56.2	32%	0.318	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.4	-174.6	28.4	-35.3	0	0	0	112.6	A66 L75 L87	A66-P89 HydrophobicContact CB-CB 4.34Å; A66-P89 WeakPolarHBondContact CB-O 3.42Å; L75-P89 HydrophobicContact CB-CB 4.03Å; L87-P89 HydrophobicContact CG-CB 4.47Å; L87-P89 WeakPolarHBondContact O-CD 3.39Å
90	V	94.9	Very high	96	Very high	97 Å²	97	55.2 Å²	55.2	59%	0.588	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-43.8	-178.3	-178.3	0	0	0	0	110.1	D88 Q92	D88-V90 VanDerWaalsContact C-N 3.27Å; D88-V90 PolarHBondContact O-N 3.18Å; D88-V90 PolarHBondContact OD1-N 3.29Å; V90-Q92 VanDerWaalsContact C-N 3.33Å
91	K	95.6	Very high	96	Very high	127 Å²	127	57.9 Å²	57.9	55%	0.552	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-13.2	175.1	-63.4	-176	-172.6	170.9	0	113.3	D88 M93	D88-K91 HydrophobicContact CB-CB 4.37Å; D88-K91 PolarHBondContact OD1-N 2.94Å; D88-K91 VanDerWaalsContact OD1-N 3.09Å; D88-K91 VanDerWaalsContact OD2-CD 3.28Å; D88-K91 WeakPolarHBondContact OD2-CD 3.4Å; D88-K91 WeakPolarHBondContact OD2-CG 3.29Å; K91-M93 HydrophobicContact CB-CB 3.98Å; K91-M93 HydrophobicContact CD-CE 4.05Å; K91-M93 PolarHBondContact O-N 2.97Å
92	Q	96.1	Very high	96	Very high	15 Å²	15	56 Å²	56	7%	0.07	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	36.5	-169.4	-45.3	-173.4	2.1	0	0	112.4	N59 M60 I62 L75 D88 V90	N59-Q92 WeakPolarHBondContact CA-O 3.29Å; M60-Q92 HydrophobicContact CB-CB 4.06Å; M60-Q92 PolarHBondContact N-O 3.48Å; I62-Q92 PolarHBondContact O-NE2 3.22Å; I62-Q92 PolarHBondContact O-OE1 3.43Å; L75-Q92 HydrophobicContact CD1-CB 4.34Å; L75-Q92 HydrophobicContact CD1-CG 3.71Å; D88-Q92 WeakPolarHBondContact O-CA 3.27Å; D88-Q92 PolarHBondContact O-N 2.76Å; V90-Q92 VanDerWaalsContact C-N 3.33Å
93	M	97.3	Very high	96.1	Very high	21 Å²	21	51.3 Å²	51.3	10%	0.103	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	136.6	-174.7	-173.2	154.2	68.5	0	0	110	I55 V57 D58 D88 K91 F95	I55-M93 HydrophobicContact CD1-SD 4.08Å; I55-M93 HydrophobicContact CG1-SD 4.25Å; I55-M93 HydrophobicContact CG2-CG 4.13Å; I55-M93 HydrophobicContact CG2-SD 4.05Å; V57-M93 CarbonylContact O-C 3.57Å; V57-M93 WeakPolarHBondContact O-CA 3.03Å; V57-M93 WeakPolarHBondContact O-CG 3.46Å; D58-M93 WeakPolarHBondContact O-CB 3.48Å; D88-M93 HydrophobicContact CB-CB 4.46Å; D88-M93 PolarHBondContact N-O 2.7Å; D88-M93 PolarHBondContact O-N 2.81Å; D88-M93 VanDerWaalsContact O-N 3.11Å; K91-M93 HydrophobicContact CB-CB 3.98Å; K91-M93 HydrophobicContact CD-CE 4.05Å; K91-M93 PolarHBondContact O-N 2.97Å; M93-F95 HydrophobicContact CB-CE2 4.19Å; M93-F95 HydrophobicContact CB-CZ 4.3Å; M93-F95 HydrophobicContact CE-CE1 3.48Å; M93-F95 VanDerWaalsContact CE-CE1 3.48Å; M93-F95 HydrophobicContact CE-CE2 4.09Å; M93-F95 HydrophobicContact CE-CZ 3.1Å; M93-F95 HydrophobicContact CG-CE1 4.11Å; M93-F95 HydrophobicContact CG-CE2 4Å; M93-F95 HydrophobicContact CG-CZ 3.8Å; M93-F95 HydrophobicContact SD-CE1 4.18Å; M93-F95 HydrophobicContact SD-CZ 4.09Å
94	L	97.7	Very high	96.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.6	178.3	-61.6	-178.7	0	0	0	110.8	L56 V57 M60 L77 V85 L86 L87 V118 V133	L56-L94 HydrophobicContact CB-CB 4.09Å; L56-L94 PolarHBondContact N-O 3.22Å; V57-L94 HydrophobicContact CB-CB 4.06Å; V57-L94 HydrophobicContact CB-CD1 4.17Å; V57-L94 HydrophobicContact CB-CG 4.21Å; V57-L94 HydrophobicContact CG2-CB 4.37Å; V57-L94 HydrophobicContact CG2-CD1 3.93Å; V57-L94 HydrophobicContact CG2-CG 4.48Å; V57-L94 PolarHBondContact N-O 3.03Å; V57-L94 PolarHBondContact O-N 3.45Å; M60-L94 HydrophobicContact SD-CD1 4.1Å; L77-L94 HydrophobicContact CD2-CD2 4.07Å; V85-L94 HydrophobicContact CG1-CB 4.01Å; V85-L94 HydrophobicContact CG1-CD1 4.27Å; V85-L94 HydrophobicContact CG1-CD2 3.91Å; V85-L94 HydrophobicContact CG1-CG 4.29Å; L86-L94 CarbonylContact O-C 3.53Å; L86-L94 VanDerWaalsContact O-CA 3.26Å; L86-L94 WeakPolarHBondContact O-CA 3.5Å; L87-L94 HydrophobicContact CB-CD2 3.72Å; L87-L94 HydrophobicContact CD1-CD2 3.53Å; L87-L94 HydrophobicContact CG-CD2 4.17Å; L94-V118 HydrophobicContact CD1-CG2 4.14Å; L94-V118 HydrophobicContact CD2-CG2 4.38Å; L94-V133 HydrophobicContact CD1-CB 4.29Å; L94-V133 HydrophobicContact CD1-CG1 3.95Å; L94-V133 HydrophobicContact CD1-CG2 3.83Å
95	F	97.5	Very high	96.1	Very high	48 Å²	48	45.4 Å²	45.4	21%	0.211	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.5	-179.5	-51.1	-95.7	0	0	0	112	T54 I55 V85 L86 D88 M93	T54-F95 CarbonylContact O-C 3.56Å; T54-F95 VanDerWaalsContact O-CA 3.31Å; T54-F95 WeakPolarHBondContact O-CA 3.15Å; I55-F95 HydrophobicContact CG1-CD1 4.07Å; I55-F95 HydrophobicContact CG1-CE1 4.05Å; V85-F95 CarbonylContact C-O 3.49Å; V85-F95 WeakPolarHBondContact CA-O 3.48Å; L86-F95 HydrophobicContact CB-CB 4.39Å; L86-F95 PolarHBondContact N-O 3.19Å; L86-F95 PolarHBondContact O-N 2.53Å; D88-F95 HydrophobicContact CB-CE2 3.95Å; M93-F95 HydrophobicContact CB-CE2 4.19Å; M93-F95 HydrophobicContact CB-CZ 4.3Å; M93-F95 HydrophobicContact CE-CE1 3.48Å; M93-F95 VanDerWaalsContact CE-CE1 3.48Å; M93-F95 HydrophobicContact CE-CE2 4.09Å; M93-F95 HydrophobicContact CE-CZ 3.1Å; M93-F95 HydrophobicContact CG-CE1 4.11Å; M93-F95 HydrophobicContact CG-CE2 4Å; M93-F95 HydrophobicContact CG-CZ 3.8Å; M93-F95 HydrophobicContact SD-CE1 4.18Å; M93-F95 HydrophobicContact SD-CZ 4.09Å
96	L	97.7	Very high	96.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	131.8	171	-176.4	65.3	0	0	0	110.9	I46 S50 N52 G53 T54 L56 W84 L103	I46-L96 HydrophobicContact CD1-CD1 4.49Å; I46-L96 HydrophobicContact CD1-CD2 4.1Å; S50-L96 VanDerWaalsContact O-CD2 3.29Å; S50-L96 WeakPolarHBondContact O-CD2 3.49Å; N52-L96 PolarHBondContact OD1-O 3.02Å; G53-L96 PolarHBondContact N-O 3.18Å; T54-L96 PolarHBondContact O-N 3.34Å; L56-L96 HydrophobicContact CD1-CB 4.44Å; L56-L96 HydrophobicContact CD2-CB 4.08Å; L56-L96 HydrophobicContact CG-CB 4.32Å; W84-L96 HydrophobicContact CE3-CD1 3.97Å; W84-L96 CarbonylContact O-C 3.59Å; W84-L96 WeakPolarHBondContact O-CA 3.25Å; L96-L103 HydrophobicContact CD1-CD2 4.01Å; L96-L103 HydrophobicContact CD2-CD2 4.17Å
97	N	96.8	Very high	96	Very high	34 Å²	34	44.5 Å²	44.5	18%	0.182	26%	0.257	C	S	.	.			trans	-108.7	90.3	170.4	175.4	31.8	0	0	0	110.9	N52 Y83 W84 L86 R101	N52-N97 WeakPolarHBondContact OD1-CA 3.31Å; Y83-N97 WeakPolarHBondContact O-CB 3.48Å; Y83-N97 PolarHBondContact O-ND2 2.78Å; W84-N97 PolarHBondContact O-N 3.46Å; L86-N97 HydrophobicContact CD1-CB 3.86Å; L86-N97 HydrophobicContact CD2-CB 4.3Å; L86-N97 HydrophobicContact CG-CB 3.78Å; N97-R101 PolarHBondContact O-NE 2.83Å; N97-R101 PolarHBondContact O-NH2 3.44Å
98	S	94.9	Very high	95.9	Very high	11 Å²	11	48.2 Å²	48.2	8%	0.077	28%	0.284	C	S	.	.			trans	-114.1	31	175.8	52.6	0	0	0	0	111.2	S50 N52 G100 R101	S50-S98 PolarHBondContact O-OG 3.07Å; N52-S98 WeakPolarHBondContact CA-OG 3.34Å; N52-S98 WeakPolarHBondContact CB-OG 3.27Å; N52-S98 PolarHBondContact N-OG 2.92Å; N52-S98 VanDerWaalsContact N-OG 3.07Å; N52-S98 PolarHBondContact OD1-N 3.05Å; S98-G100 PolarHBondContact O-N 2.85Å; S98-G100 VanDerWaalsContact O-N 3.16Å; S98-R101 CarbonylContact C-O 3.53Å; S98-R101 PolarHBondContact O-N 2.94Å
99	T	92.9	Very high	95.9	Very high	95 Å²	95	50.3 Å²	50.3	58%	0.583	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	117.7	177.6	-56.1	0	0	0	0	110	N52 R101	N52-T99 PolarHBondContact ND2-OG1 3.49Å; N52-T99 VanDerWaalsContact ND2-OG1 3.11Å; N52-T99 PolarHBondContact OD1-N 3.09Å; N52-T99 PolarHBondContact OD1-OG1 3.09Å; T99-R101 VanDerWaalsContact C-N 3.3Å; T99-R101 PolarHBondContact O-N 2.74Å
100	G	93.1	Very high	95.9	Very high	89 Å²	89	51.9 Å²	51.9	92%	0.918	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	11.4	177.9	0	0	0	0	0	115.3	S98	S98-G100 PolarHBondContact O-N 2.85Å; S98-G100 VanDerWaalsContact O-N 3.16Å
101	R	94.5	Very high	95.9	Very high	85 Å²	85	48.6 Å²	48.6	32%	0.321	28%	0.278	S	S	.	.	S	Bend	trans	-150.7	167.6	179.5	59.8	-177.5	177.8	-176.6	-1	110.2	D82 Y83 W84 N97 S98 T99	D82-R101 PolarHBondContact O-NH1 2.92Å; D82-R101 PolarHBondContact O-NH2 3.25Å; Y83-R101 PolarHBondContact O-NH2 3.24Å; Y83-R101 VanDerWaalsContact O-NH2 3.17Å; W84-R101 HydrophobicContact CH2-CB 4.49Å; W84-R101 HydrophobicContact CH2-CG 3.8Å; W84-R101 HydrophobicContact CZ3-CG 3.95Å; N97-R101 PolarHBondContact O-NE 2.83Å; N97-R101 PolarHBondContact O-NH2 3.44Å; S98-R101 CarbonylContact C-O 3.53Å; S98-R101 PolarHBondContact O-N 2.94Å; T99-R101 VanDerWaalsContact C-N 3.3Å; T99-R101 PolarHBondContact O-N 2.74Å
102	V	95	Very high	95.9	Very high	61 Å²	61	47.2 Å²	47.2	37%	0.37	27%	0.273	S	S	.	.			trans	-116	139.6	-179.4	-178.1	0	0	0	0	108.9	E49 W84 D104 M109	E49-V102 HydrophobicContact CB-CG1 3.72Å; E49-V102 HydrophobicContact CG-CG1 3.4Å; E49-V102 WeakPolarHBondContact OE1-CG1 3.41Å; W84-V102 WeakPolarHBondContact CH2-O 3.21Å; V102-D104 VanDerWaalsContact C-N 3.29Å; V102-D104 HydrophobicContact CG1-CB 4.33Å; V102-D104 PolarHBondContact O-N 3Å; V102-D104 VanDerWaalsContact O-N 3.15Å; V102-M109 VanDerWaalsContact O-CE 3.28Å; V102-M109 WeakPolarHBondContact O-CE 3.16Å
103	L	96.2	Very high	96	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.291	C	S	.	.			trans	-81.6	83.7	170	177.5	63.5	0	0	0	107.6	I46 E48 E49 W84 L96 I111 I114 V137	I46-L103 HydrophobicContact CD1-CD2 3.48Å; I46-L103 VanDerWaalsContact CD1-CD2 3.48Å; I46-L103 HydrophobicContact CG1-CD2 4.34Å; E48-L103 CarbonylContact C-O 3.41Å; E48-L103 WeakPolarHBondContact CA-O 3.36Å; E48-L103 WeakPolarHBondContact CB-O 3.12Å; E49-L103 PolarHBondContact N-O 3.37Å; W84-L103 HydrophobicContact CD2-CD1 4.38Å; W84-L103 HydrophobicContact CE3-CD1 4.33Å; W84-L103 HydrophobicContact CH2-CB 4.42Å; W84-L103 HydrophobicContact CH2-CD1 4.44Å; W84-L103 HydrophobicContact CZ2-CD1 4.49Å; W84-L103 HydrophobicContact CZ3-CB 4.1Å; W84-L103 HydrophobicContact CZ3-CD1 4.35Å; L96-L103 HydrophobicContact CD1-CD2 4.01Å; L96-L103 HydrophobicContact CD2-CD2 4.17Å; L103-I111 HydrophobicContact CD1-CB 4.12Å; L103-I111 HydrophobicContact CD1-CD1 4.13Å; L103-I111 HydrophobicContact CD1-CG2 3.66Å; L103-I114 HydrophobicContact CD1-CD1 3.64Å; L103-I114 HydrophobicContact CD1-CG1 4.41Å; L103-I114 HydrophobicContact CD2-CD1 4.16Å; L103-V137 HydrophobicContact CD1-CG2 4.24Å; L103-V137 HydrophobicContact CD2-CG1 4.31Å; L103-V137 HydrophobicContact CD2-CG2 3.96Å; L103-V137 HydrophobicContact CG-CG1 4.27Å; L103-V137 HydrophobicContact CG-CG2 4.23Å
104	D	96.9	Very high	95.9	Very high	29 Å²	29	49.1 Å²	49.1	16%	0.155	29%	0.289	C	S	.	.			trans	-96.2	121.4	-172.8	177.2	9.4	0	0	0	110	V102 D106 M109 I111	V102-D104 VanDerWaalsContact C-N 3.29Å; V102-D104 HydrophobicContact CG1-CB 4.33Å; V102-D104 PolarHBondContact O-N 3Å; V102-D104 VanDerWaalsContact O-N 3.15Å; D104-D106 WeakPolarHBondContact OD1-CB 3.1Å; D104-D106 PolarHBondContact OD1-N 3.5Å; D104-M109 HydrophobicContact CB-CB 3.88Å; D104-M109 HydrophobicContact CB-CE 4.33Å; D104-M109 HydrophobicContact CB-CG 4.15Å; D104-M109 HydrophobicContact CB-SD 3.75Å; D104-M109 WeakPolarHBondContact O-CB 3.21Å; D104-I111 WeakPolarHBondContact O-CB 3.25Å; D104-I111 PolarHBondContact O-N 2.87Å
105	R	97.2	Very high	95.9	Very high	29 Å²	29	52.1 Å²	52.1	11%	0.109	31%	0.307	C	S	.	.			trans	-82	-26.1	179.7	-168.4	-178.5	175.8	-78.6	-3.6	110.8	E48 N110 V137 D139 D181	E48-R105 HydrophobicContact CB-CB 4.01Å; E48-R105 WeakPolarHBondContact OE2-CA 3.5Å; E48-R105 WeakPolarHBondContact OE2-CB 3.42Å; E48-R105 PolarHBondContact OE2-N 2.96Å; R105-N110 CarbonylContact O-C 3.57Å; R105-N110 WeakPolarHBondContact O-CA 3.37Å; R105-V137 HydrophobicContact CB-CG1 4.02Å; R105-V137 WeakPolarHBondContact CD-O 3.47Å; R105-V137 HydrophobicContact CG-CG1 4.31Å; R105-V137 PolarHBondContact NE-O 2.57Å; R105-D139 IonicContact CZ-OD1 3.47Å; R105-D139 IonicContact NH1-OD1 3.33Å; R105-D139 PolarHBondContact NH1-OD1 2.81Å; R105-D181 IonicContact CZ-OD2 3.41Å; R105-D181 IonicContact NH1-OD2 3.74Å; R105-D181 PolarHBondContact NH1-OD2 3.39Å; R105-D181 IonicContact NH2-OD2 2.87Å; R105-D181 PolarHBondContact NH2-OD2 3.49Å
106	D	96.6	Very high	95.9	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.011	30%	0.297	C	S	.	.	S	Bend	trans	-83.9	166.6	-171.2	-58.3	-39.9	0	0	0	112.4	D104 M109 N110 N143 I179	D104-D106 WeakPolarHBondContact OD1-CB 3.1Å; D104-D106 PolarHBondContact OD1-N 3.5Å; D106-M109 PolarHBondContact O-N 3.35Å; D106-N110 PolarHBondContact O-N 2.89Å; D106-N143 PolarHBondContact OD2-ND2 2.94Å; D106-I179 HydrophobicContact CB-CD1 4.21Å; D106-I179 HydrophobicContact CB-CG1 4.36Å
107	P	96.1	Very high	95.9	Very high	65 Å²	65	51.3 Å²	51.3	42%	0.422	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	132.5	170	-22.5	33.4	0	0	0	111.4
108	P	95.4	Very high	95.9	Very high	115 Å²	115	49.7 Å²	49.7	75%	0.747	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95.6	-8.4	17.3	35.3	-35.4	0	0	0	115.3	N110	P108-N110 VanDerWaalsContact C-ND2 3.32Å; P108-N110 PolarHBondContact O-ND2 2.92Å
109	M	95.1	Very high	96	Very high	84 Å²	84	50.7 Å²	50.7	41%	0.414	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-36.2	-172.1	-73.6	-166.2	50.6	0	0	113.5	W84 V102 D104 D106 I111	W84-M109 HydrophobicContact CH2-CE 4.4Å; W84-M109 HydrophobicContact CZ2-CE 4.12Å; V102-M109 VanDerWaalsContact O-CE 3.28Å; V102-M109 WeakPolarHBondContact O-CE 3.16Å; D104-M109 HydrophobicContact CB-CB 3.88Å; D104-M109 HydrophobicContact CB-CE 4.33Å; D104-M109 HydrophobicContact CB-CG 4.15Å; D104-M109 HydrophobicContact CB-SD 3.75Å; D104-M109 WeakPolarHBondContact O-CB 3.21Å; D106-M109 PolarHBondContact O-N 3.35Å; M109-I111 VanDerWaalsContact C-N 3.28Å; M109-I111 HydrophobicContact CB-CG1 4.29Å; M109-I111 HydrophobicContact CE-CD1 3.4Å; M109-I111 VanDerWaalsContact CE-CD1 3.4Å; M109-I111 HydrophobicContact CE-CG1 4.26Å; M109-I111 PolarHBondContact O-N 2.84Å
110	N	95.8	Very high	96.2	Very high	83 Å²	83	46.1 Å²	46.1	44%	0.444	27%	0.271	S	S	.	.			trans	54.4	35	172.9	-61.4	-80.3	0	0	0	114.3	R105 D106 P108 H112	R105-N110 CarbonylContact O-C 3.57Å; R105-N110 WeakPolarHBondContact O-CA 3.37Å; D106-N110 PolarHBondContact O-N 2.89Å; P108-N110 VanDerWaalsContact C-ND2 3.32Å; P108-N110 PolarHBondContact O-ND2 2.92Å; N110-H112 PolarHBondContact O-CD2 3.31Å; N110-H112 PolarHBondContact O-N 2.83Å
111	I	96.1	Very high	96.3	Very high	28 Å²	28	43.4 Å²	43.4	14%	0.144	24%	0.237	C	C	.	.			trans	-85	80.2	-177.1	-51.9	-178.3	0	0	0	110.5	W84 L103 D104 M109 S113 I114 V137	W84-I111 HydrophobicContact CZ2-CD1 3.62Å; L103-I111 HydrophobicContact CD1-CB 4.12Å; L103-I111 HydrophobicContact CD1-CD1 4.13Å; L103-I111 HydrophobicContact CD1-CG2 3.66Å; D104-I111 WeakPolarHBondContact O-CB 3.25Å; D104-I111 PolarHBondContact O-N 2.87Å; M109-I111 VanDerWaalsContact C-N 3.28Å; M109-I111 HydrophobicContact CB-CG1 4.29Å; M109-I111 HydrophobicContact CE-CD1 3.4Å; M109-I111 VanDerWaalsContact CE-CD1 3.4Å; M109-I111 HydrophobicContact CE-CG1 4.26Å; M109-I111 PolarHBondContact O-N 2.84Å; I111-S113 PolarHBondContact O-N 2.79Å; I111-I114 HydrophobicContact CG2-CG1 4.04Å; I111-V137 HydrophobicContact CG2-CG2 4.47Å; I111-V137 VanDerWaalsContact O-CB 3.28Å; I111-V137 WeakPolarHBondContact O-CB 3.27Å; I111-V137 VanDerWaalsContact O-CG2 3.29Å; I111-V137 WeakPolarHBondContact O-CG2 3.29Å
112	H	96.1	Very high	96.3	Very high	97 Å²	97	39.4 Å²	39.4	45%	0.449	22%	0.222	S	C	.	.			trans	-74.8	-26	-179	-59.2	-175.3	0	0	0	113.3	N110 V137	N110-H112 PolarHBondContact O-CD2 3.31Å; N110-H112 PolarHBondContact O-N 2.83Å; H112-V137 PolarHBondContact O-N 3.28Å
113	S	96.6	Very high	96.2	Very high	66 Å²	66	41.7 Å²	41.7	46%	0.462	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	150.7	177.8	67.4	0	0	0	0	112.1	I111 I135	I111-S113 PolarHBondContact O-N 2.79Å; S113-I135 CarbonylContact C-O 3.56Å; S113-I135 WeakPolarHBondContact CA-O 3.38Å; S113-I135 WeakPolarHBondContact CB-O 3.34Å
114	I	96.4	Very high	95.8	Very high	11 Å²	11	46.1 Å²	46.1	6%	0.056	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129	169.9	-61.1	157.8	0	0	0	107.7	W84 V85 L103 I111 V116 I135	W84-I114 HydrophobicContact CB-CD1 3.71Å; W84-I114 HydrophobicContact CB-CG1 4.36Å; W84-I114 HydrophobicContact CB-CG2 4.2Å; W84-I114 HydrophobicContact CD2-CD1 4.35Å; W84-I114 HydrophobicContact CG-CD1 3.85Å; W84-I114 HydrophobicContact CG-CG1 4.35Å; V85-I114 HydrophobicContact CG2-CG2 4.06Å; L103-I114 HydrophobicContact CD1-CD1 3.64Å; L103-I114 HydrophobicContact CD1-CG1 4.41Å; L103-I114 HydrophobicContact CD2-CD1 4.16Å; I111-I114 HydrophobicContact CG2-CG1 4.04Å; I114-V116 HydrophobicContact CG2-CG1 4.05Å; I114-I135 HydrophobicContact CB-CB 4.24Å; I114-I135 HydrophobicContact CB-CD1 4.23Å; I114-I135 HydrophobicContact CG2-CD1 4.19Å; I114-I135 PolarHBondContact N-O 2.67Å; I114-I135 WeakPolarHBondContact O-CD1 3.33Å; I114-I135 PolarHBondContact O-N 3.43Å
115	V	97.2	Very high	95.5	Very high	63 Å²	63	48.4 Å²	48.4	38%	0.382	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.1	176.5	-175.4	0	0	0	0	108.8	E132 V133 R134	V115-E132 HydrophobicContact CG1-CG 4.05Å; V115-V133 WeakPolarHBondContact CA-O 3.45Å; V115-R134 HydrophobicContact CG1-CG 4.37Å; V115-R134 HydrophobicContact CG2-CG 4.25Å
116	V	97.2	Very high	95.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	158.7	176.5	-58	0	0	0	0	110.4	L77 N80 V85 I114 V133 I135	L77-V116 HydrophobicContact CD2-CB 4.41Å; L77-V116 HydrophobicContact CD2-CG2 4.04Å; N80-V116 HydrophobicContact CB-CG1 4.16Å; V85-V116 HydrophobicContact CB-CG1 4.22Å; V85-V116 HydrophobicContact CB-CG2 4.4Å; V85-V116 HydrophobicContact CG1-CG2 4.36Å; V85-V116 HydrophobicContact CG2-CG1 3.74Å; V85-V116 HydrophobicContact CG2-CG2 4.09Å; I114-V116 HydrophobicContact CG2-CG1 4.05Å; V116-V133 HydrophobicContact CG2-CB 3.87Å; V116-V133 HydrophobicContact CG2-CG2 4.47Å; V116-V133 PolarHBondContact N-O 2.78Å; V116-V133 PolarHBondContact O-N 2.96Å; V116-I135 HydrophobicContact CG2-CD1 4.4Å
117	Q	97.1	Very high	94.9	Very high	31 Å²	31	52.4 Å²	52.4	15%	0.145	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121	176.6	-61	-69.1	-22.7	0	0	109.3	L77 K78 Q119 Y130 E132	L77-Q117 CarbonylContact C-O 3.57Å; K78-Q117 HydrophobicContact CB-CB 4.08Å; K78-Q117 PolarHBondContact N-O 3.24Å; K78-Q117 PolarHBondContact O-N 3.27Å; Q117-Q119 PolarHBondContact O-N 3.44Å; Q117-Y130 HydrophobicContact CB-CD1 4.25Å; Q117-E132 PolarHBondContact NE2-OE2 2.87Å; Q117-E132 VanDerWaalsContact OE1-CA 3.25Å
118	V	97	Very high	94.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	102.2	169	-179.8	0	0	0	0	107.6	M60 I62 L75 S76 L77 L94 C120 H131 V133	M60-V118 HydrophobicContact CE-CB 4.08Å; M60-V118 HydrophobicContact CE-CG2 3.89Å; M60-V118 HydrophobicContact SD-CG2 4.34Å; I62-V118 HydrophobicContact CD1-CG1 3.92Å; L75-V118 HydrophobicContact CD2-CG1 4.23Å; S76-V118 CarbonylContact O-C 3.59Å; S76-V118 WeakPolarHBondContact O-CA 3.37Å; L77-V118 HydrophobicContact CD2-CG2 3.89Å; L94-V118 HydrophobicContact CD1-CG2 4.14Å; L94-V118 HydrophobicContact CD2-CG2 4.38Å; V118-C120 PolarHBondContact O-N 3.1Å; V118-H131 HydrophobicContact CB-CB 4.3Å; V118-H131 PolarHBondContact N-O 3.39Å; V118-H131 PolarHBondContact O-N 3.08Å; V118-V133 HydrophobicContact CG2-CG2 3.9Å
119	Q	97.5	Very high	94.8	Very high	31 Å²	31	49.5 Å²	49.5	15%	0.145	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	121.7	174.9	-177.4	-171.6	-60.1	0	0	109.2	L75 S76 K78 Q117 V121 V128 Y130	L75-Q119 WeakPolarHBondContact CA-O 3.33Å; S76-Q119 PolarHBondContact N-O 2.93Å; S76-Q119 PolarHBondContact O-N 2.64Å; K78-Q119 HydrophobicContact CG-CB 4.02Å; Q117-Q119 PolarHBondContact O-N 3.44Å; Q119-V121 HydrophobicContact CG-CG2 4.4Å; Q119-V128 HydrophobicContact CG-CG1 3.58Å; Q119-Y130 HydrophobicContact CB-CD1 3.88Å; Q119-Y130 HydrophobicContact CB-CE1 3.75Å; Q119-Y130 HydrophobicContact CG-CD1 4.08Å; Q119-Y130 HydrophobicContact CG-CE1 3.6Å
120	C	96.7	Very high	94.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.2	171.1	-171.5	0	0	0	0	110.6	C32 I62 E74 L75 V118 V128 I129	C32-C120 WeakPolarHBondContact CA-SG 3.49Å; C32-C120 HydrophobicContact CB-CB 3.66Å; C32-C120 WeakPolarHBondContact CB-SG 3.2Å; C32-C120 WeakPolarHBondContact SG-CB 3.27Å; C32-C120 PolarHBondContact SG-O 2.64Å; C32-C120 CovalentContact SG-SG 2.03Å; C32-C120 PolarHBondContact SG-SG 2.72Å; I62-C120 HydrophobicContact CG2-CB 4.35Å; E74-C120 CarbonylContact O-C 3.56Å; E74-C120 WeakPolarHBondContact O-CA 3.09Å; L75-C120 HydrophobicContact CD2-CB 3.56Å; L75-C120 VanDerWaalsContact CD2-SG 3.54Å; V118-C120 PolarHBondContact O-N 3.1Å; C120-V128 WeakPolarHBondContact O-CA 3.23Å; C120-I129 PolarHBondContact N-O 2.91Å; C120-I129 PolarHBondContact O-N 2.94Å
121	V	96	Very high	94.9	Very high	32 Å²	32	48.3 Å²	48.3	19%	0.194	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120	173.2	-173.7	0	0	0	0	108.9	I73 E74 Q119 K123 T127 V128	I73-V121 CarbonylContact C-O 3.19Å; I73-V121 VanDerWaalsContact CA-O 3.24Å; I73-V121 WeakPolarHBondContact CA-O 3.37Å; E74-V121 HydrophobicContact CB-CB 4.18Å; E74-V121 PolarHBondContact N-O 3.2Å; E74-V121 PolarHBondContact O-N 3.3Å; Q119-V121 HydrophobicContact CG-CG2 4.4Å; V121-K123 PolarHBondContact O-N 3.41Å; V121-T127 WeakPolarHBondContact CA-O 3.43Å; V121-V128 HydrophobicContact CG1-CG2 4.48Å; V121-V128 HydrophobicContact CG2-CG2 4.24Å
122	N	94.2	Very high	94.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	111.6	173.3	-178.5	-31.4	0	0	0	108.7	Y28 D31 C32 K124 V125 G126 T127	Y28-N122 PolarHBondContact O-ND2 3Å; D31-N122 WeakPolarHBondContact CB-ND2 3.47Å; D31-N122 PolarHBondContact O-ND2 3.33Å; C32-N122 PolarHBondContact SG-N 3.05Å; C32-N122 VanDerWaalsContact SG-N 3.39Å; N122-K124 PolarHBondContact O-N 2.85Å; N122-K124 PolarHBondContact OD1-N 2.89Å; N122-V125 HydrophobicContact CB-CG2 3.85Å; N122-V125 WeakPolarHBondContact ND2-CG2 3.31Å; N122-V125 PolarHBondContact OD1-N 3.27Å; N122-G126 VanDerWaalsContact O-CA 3.26Å; N122-G126 WeakPolarHBondContact O-CA 3.35Å; N122-G126 PolarHBondContact O-N 3.4Å; N122-T127 WeakPolarHBondContact CB-OG1 3.21Å; N122-T127 PolarHBondContact N-O 2.86Å
123	K	92.2	Very high	95	Very high	108 Å²	108	44.7 Å²	44.7	47%	0.47	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.4	-172.9	-74.9	-171.8	164.5	179.3	0	114	P71 T72 E74 V121	P71-K123 HydrophobicContact CG-CD 4.29Å; P71-K123 WeakPolarHBondContact O-CD 3.48Å; T72-K123 PolarHBondContact O-N 2.67Å; E74-K123 WeakPolarHBondContact OE2-CE 3.41Å; E74-K123 IonicContact OE2-NZ 2.73Å; V121-K123 PolarHBondContact O-N 3.41Å
124	K	88.1	Confident	95	Very high	93 Å²	93	47.2 Å²	47.2	40%	0.404	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-40.6	-176.6	-62	175.1	-171.2	135.6	0	112.4	Y28 D31 T72 N122	Y28-K124 HydrophobicContact CD1-CD 3.26Å; Y28-K124 VanDerWaalsContact CD1-CE 3.44Å; Y28-K124 HydrophobicContact CE1-CD 3.67Å; Y28-K124 HydrophobicContact CG-CD 3.81Å; D31-K124 IonicContact OD2-NZ 3.36Å; D31-K124 PolarHBondContact OD2-NZ 3.35Å; T72-K124 VanDerWaalsContact CB-NZ 3.33Å; N122-K124 PolarHBondContact O-N 2.85Å; N122-K124 PolarHBondContact OD1-N 2.89Å
125	V	90.2	Very high	95	Very high	78 Å²	78	46.7 Å²	46.7	47%	0.473	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-10.3	-177	-64.2	0	0	0	0	113.9	N122 T127	N122-V125 HydrophobicContact CB-CG2 3.85Å; N122-V125 WeakPolarHBondContact ND2-CG2 3.31Å; N122-V125 PolarHBondContact OD1-N 3.27Å; V125-T127 VanDerWaalsContact C-N 3.27Å; V125-T127 HydrophobicContact CB-CG2 4.47Å; V125-T127 HydrophobicContact CG2-CG2 3.81Å; V125-T127 WeakPolarHBondContact CG2-OG1 3.45Å; V125-T127 PolarHBondContact O-N 2.83Å
126	G	88.5	Confident	95.1	Very high	53 Å²	53	46.8 Å²	46.8	55%	0.546	24%	0.242	S	C	.	.			trans	74.2	11.4	179.4	0	0	0	0	0	114.8	N122	N122-G126 VanDerWaalsContact O-CA 3.26Å; N122-G126 WeakPolarHBondContact O-CA 3.35Å; N122-G126 PolarHBondContact O-N 3.4Å
127	T	92.6	Very high	95	Very high	61 Å²	61	47 Å²	47	37%	0.374	24%	0.242	S	C	.	.			trans	-71.4	143.6	176.2	55	0	0	0	0	110.7	V121 N122 V125	V121-T127 WeakPolarHBondContact CA-O 3.43Å; N122-T127 WeakPolarHBondContact CB-OG1 3.21Å; N122-T127 PolarHBondContact N-O 2.86Å; V125-T127 VanDerWaalsContact C-N 3.27Å; V125-T127 HydrophobicContact CB-CG2 4.47Å; V125-T127 HydrophobicContact CG2-CG2 3.81Å; V125-T127 WeakPolarHBondContact CG2-OG1 3.45Å; V125-T127 PolarHBondContact O-N 2.83Å
128	V	94.9	Very high	95	Very high	67 Å²	67	50.7 Å²	50.7	41%	0.406	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.6	177.6	-174.3	0	0	0	0	108.5	Q119 C120 V121 Y130	Q119-V128 HydrophobicContact CG-CG1 3.58Å; C120-V128 WeakPolarHBondContact O-CA 3.23Å; V121-V128 HydrophobicContact CG1-CG2 4.48Å; V121-V128 HydrophobicContact CG2-CG2 4.24Å; V128-Y130 HydrophobicContact CG1-CE1 4.37Å; V128-Y130 HydrophobicContact CG1-CE2 4Å
129	I	94.9	Very high	95	Very high	53 Å²	53	52.3 Å²	52.3	27%	0.272	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.5	177.1	-59.9	-179.7	0	0	0	108.2	C32 K33 C120	C32-I129 HydrophobicContact CB-CB 4.28Å; C32-I129 HydrophobicContact CB-CD1 3.88Å; C32-I129 HydrophobicContact CB-CG1 4.25Å; K33-I129 HydrophobicContact CG-CD1 4.3Å; C120-I129 PolarHBondContact N-O 2.91Å; C120-I129 PolarHBondContact O-N 2.94Å
130	Y	96.3	Very high	95	Very high	132 Å²	132	56.1 Å²	56.1	52%	0.518	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.7	174.2	-62	-80.6	0	0	0	109.4	K78 Q117 Q119 V128	K78-Y130 HydrophobicContact CG-CE1 4.18Å; Q117-Y130 HydrophobicContact CB-CD1 4.25Å; Q119-Y130 HydrophobicContact CB-CD1 3.88Å; Q119-Y130 HydrophobicContact CB-CE1 3.75Å; Q119-Y130 HydrophobicContact CG-CD1 4.08Å; Q119-Y130 HydrophobicContact CG-CE1 3.6Å; V128-Y130 HydrophobicContact CG1-CE1 4.37Å; V128-Y130 HydrophobicContact CG1-CE2 4Å
131	H	96.3	Very high	95	Very high	10 Å²	10	56.7 Å²	56.7	5%	0.046	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	107.4	173.3	-61.5	-71.2	0	0	0	108.9	C32 M60 V118	C32-H131 PolarHBondContact O-CE1 2.75Å; C32-H131 PolarHBondContact O-NE2 2.57Å; M60-H131 HydrophobicContact CE-CB 3.68Å; V118-H131 HydrophobicContact CB-CB 4.3Å; V118-H131 PolarHBondContact N-O 3.39Å; V118-H131 PolarHBondContact O-N 3.08Å
132	E	97.2	Very high	95	Very high	49 Å²	49	56.8 Å²	56.8	23%	0.229	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	133.3	179.5	-175.4	170.9	98.2	0	0	110.9	A41 T42 V115 Q117 R134	A41-E132 CarbonylContact C-O 3.28Å; A41-E132 WeakPolarHBondContact CA-O 3.32Å; A41-E132 HydrophobicContact CB-CB 4.36Å; T42-E132 PolarHBondContact N-O 2.8Å; V115-E132 HydrophobicContact CG1-CG 4.05Å; Q117-E132 PolarHBondContact NE2-OE2 2.87Å; Q117-E132 VanDerWaalsContact OE1-CA 3.25Å; E132-R134 HydrophobicContact CG-CG 4.2Å; E132-R134 IonicContact OE1-CZ 2.73Å; E132-R134 IonicContact OE1-NE 2.81Å; E132-R134 PolarHBondContact OE1-NE 3.31Å; E132-R134 IonicContact OE1-NH2 3.84Å; E132-R134 PolarHBondContact OE1-NH2 3.04Å
133	V	97	Very high	95.1	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.1	173.9	-173.6	0	0	0	0	108.2	T42 V57 M60 L94 V115 V116 V118 I135	T42-V133 CarbonylContact O-C 3.49Å; T42-V133 VanDerWaalsContact O-CA 3.3Å; T42-V133 WeakPolarHBondContact O-CA 3.48Å; V57-V133 HydrophobicContact CG2-CG1 3.93Å; M60-V133 HydrophobicContact CE-CG2 3.65Å; M60-V133 HydrophobicContact SD-CG2 3.72Å; L94-V133 HydrophobicContact CD1-CB 4.29Å; L94-V133 HydrophobicContact CD1-CG1 3.95Å; L94-V133 HydrophobicContact CD1-CG2 3.83Å; V115-V133 WeakPolarHBondContact CA-O 3.45Å; V116-V133 HydrophobicContact CG2-CB 3.87Å; V116-V133 HydrophobicContact CG2-CG2 4.47Å; V116-V133 PolarHBondContact N-O 2.78Å; V116-V133 PolarHBondContact O-N 2.96Å; V118-V133 HydrophobicContact CG2-CG2 3.9Å; V133-I135 HydrophobicContact CB-CD1 4.46Å; V133-I135 HydrophobicContact CG1-CD1 3.77Å; V133-I135 HydrophobicContact CG1-CG1 4.22Å
134	R	97.5	Very high	95.3	Very high	118 Å²	118	55.8 Å²	55.8	45%	0.445	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.7	175	-57.8	-174.7	-174.8	-172.6	-1.7	108.8	T42 I43 V44 V115 E132	T42-R134 PolarHBondContact O-N 3.42Å; I43-R134 WeakPolarHBondContact CA-O 3.28Å; I43-R134 HydrophobicContact CG1-CB 4.29Å; V44-R134 PolarHBondContact N-O 3.3Å; V115-R134 HydrophobicContact CG1-CG 4.37Å; V115-R134 HydrophobicContact CG2-CG 4.25Å; E132-R134 HydrophobicContact CG-CG 4.2Å; E132-R134 IonicContact OE1-CZ 2.73Å; E132-R134 IonicContact OE1-NE 2.81Å; E132-R134 PolarHBondContact OE1-NE 3.31Å; E132-R134 IonicContact OE1-NH2 3.84Å; E132-R134 PolarHBondContact OE1-NH2 3.04Å
135	I	97.3	Very high	95.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	108.5	174.9	-54.6	92.6	0	0	0	107.1	V44 I46 L56 V85 S113 I114 V116 V133	V44-I135 HydrophobicContact CG2-CB 4.26Å; V44-I135 HydrophobicContact CG2-CG1 3.78Å; V44-I135 HydrophobicContact CG2-CG2 4.31Å; V44-I135 WeakPolarHBondContact O-CA 3.47Å; I46-I135 HydrophobicContact CD1-CG2 4.06Å; I46-I135 HydrophobicContact CG1-CG2 3.73Å; L56-I135 HydrophobicContact CD1-CG1 4.3Å; L56-I135 HydrophobicContact CD2-CG2 4.09Å; V85-I135 HydrophobicContact CG2-CD1 4.19Å; S113-I135 CarbonylContact C-O 3.56Å; S113-I135 WeakPolarHBondContact CA-O 3.38Å; S113-I135 WeakPolarHBondContact CB-O 3.34Å; I114-I135 HydrophobicContact CB-CB 4.24Å; I114-I135 HydrophobicContact CB-CD1 4.23Å; I114-I135 HydrophobicContact CG2-CD1 4.19Å; I114-I135 PolarHBondContact N-O 2.67Å; I114-I135 WeakPolarHBondContact O-CD1 3.33Å; I114-I135 PolarHBondContact O-N 3.43Å; V116-I135 HydrophobicContact CG2-CD1 4.4Å; V133-I135 HydrophobicContact CB-CD1 4.46Å; V133-I135 HydrophobicContact CG1-CD1 3.77Å; V133-I135 HydrophobicContact CG1-CG1 4.22Å
136	V	97.4	Very high	96.2	Very high	66 Å²	66	51.4 Å²	51.4	40%	0.4	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	127.2	173.5	-178.8	0	0	0	0	108.4	I43 V44 A45 I46	I43-V136 HydrophobicContact CG2-CG2 4.35Å; V44-V136 PolarHBondContact O-N 3.15Å; A45-V136 VanDerWaalsContact CA-O 3.23Å; A45-V136 WeakPolarHBondContact CA-O 3.38Å; A45-V136 HydrophobicContact CB-CB 4.15Å; I46-V136 PolarHBondContact N-O 3.05Å; I46-V136 VanDerWaalsContact N-O 3.08Å
137	V	97	Very high	96.6	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.9	175.8	-173.4	0	0	0	0	107.8	E48 L103 R105 I111 H112	E48-V137 HydrophobicContact CB-CG1 3.64Å; L103-V137 HydrophobicContact CD1-CG2 4.24Å; L103-V137 HydrophobicContact CD2-CG1 4.31Å; L103-V137 HydrophobicContact CD2-CG2 3.96Å; L103-V137 HydrophobicContact CG-CG1 4.27Å; L103-V137 HydrophobicContact CG-CG2 4.23Å; R105-V137 HydrophobicContact CB-CG1 4.02Å; R105-V137 WeakPolarHBondContact CD-O 3.47Å; R105-V137 HydrophobicContact CG-CG1 4.31Å; R105-V137 PolarHBondContact NE-O 2.57Å; I111-V137 HydrophobicContact CG2-CG2 4.47Å; I111-V137 VanDerWaalsContact O-CB 3.28Å; I111-V137 WeakPolarHBondContact O-CB 3.27Å; I111-V137 VanDerWaalsContact O-CG2 3.29Å; I111-V137 WeakPolarHBondContact O-CG2 3.29Å; H112-V137 PolarHBondContact O-N 3.28Å
138	R	96.9	Very high	96.9	Very high	110 Å²	110	53.4 Å²	53.4	42%	0.415	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	132.4	177.1	-66.5	-171.3	-65.4	-94.1	-4.4	109.5	A45 I46 D47 E48	A45-R138 HydrophobicContact CB-CG 4.26Å; A45-R138 PolarHBondContact O-NH1 2.77Å; I46-R138 PolarHBondContact O-N 2.76Å; D47-R138 IonicContact OD1-CZ 3.08Å; D47-R138 IonicContact OD1-NE 2.65Å; D47-R138 PolarHBondContact OD1-NE 2.87Å; D47-R138 IonicContact OD1-NH2 2.7Å; D47-R138 PolarHBondContact OD1-NH2 3.23Å; E48-R138 PolarHBondContact N-O 2.75Å
139	D	97	Very high	97	Very high	34 Å²	34	54 Å²	54	18%	0.182	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-57.6	134.3	172.2	-163	83.5	0	0	0	111.6	E48 R105 D181 N184	E48-D139 WeakPolarHBondContact OE1-CA 3.4Å; R105-D139 IonicContact CZ-OD1 3.47Å; R105-D139 IonicContact NH1-OD1 3.33Å; R105-D139 PolarHBondContact NH1-OD1 2.81Å; D139-D181 WeakPolarHBondContact OD1-CB 3.36Å; D139-D181 PolarHBondContact OD1-N 2.76Å; D139-D181 PolarHBondContact OD2-N 3.15Å; D139-N184 WeakPolarHBondContact OD2-CB 3.21Å; D139-N184 PolarHBondContact OD2-ND2 3.1Å
140	R	96.1	Very high	97.1	Very high	110 Å²	110	60.6 Å²	60.6	42%	0.415	28%	0.28	S	S	.	.			trans	-113.6	156.1	166.9	-69.7	-166.6	72.7	100.4	9.3	108.8	D47 E48 D142	D47-R140 HydrophobicContact CB-CG 3.97Å; D47-R140 IonicContact OD2-NH1 3.61Å; D47-R140 PolarHBondContact OD2-NH1 2.99Å; E48-R140 HydrophobicContact CG-CB 3.95Å; E48-R140 HydrophobicContact CG-CG 4.01Å; E48-R140 PolarHBondContact OE1-N 3.04Å; R140-D142 VanDerWaalsContact C-N 3.25Å; R140-D142 WeakPolarHBondContact CB-OD1 3.47Å; R140-D142 PolarHBondContact O-N 2.67Å; R140-D142 VanDerWaalsContact O-N 3.13Å; R140-D142 VanDerWaalsContact O-OD1 3.13Å
141	N	96.8	Very high	97.1	Very high	13 Å²	13	58 Å²	58	7%	0.07	28%	0.282	C	S	.	.			trans	-86.9	67.5	175.8	-161.4	65.6	0	0	0	109.9	D180 N184 D236 A238 E243 R245	N141-D180 VanDerWaalsContact CA-OD2 3.29Å; N141-D180 WeakPolarHBondContact CA-OD2 3.38Å; N141-D180 PolarHBondContact OD1-OD2 2.86Å; N141-N184 HydrophobicContact CB-CB 4.22Å; N141-N184 WeakPolarHBondContact OD1-CA 3.42Å; N141-N184 WeakPolarHBondContact OD1-CB 3.3Å; N141-D236 VanDerWaalsContact ND2-CG 3.3Å; N141-D236 PolarHBondContact ND2-OD1 3.03Å; N141-D236 PolarHBondContact ND2-OD2 3.3Å; N141-D236 PolarHBondContact OD1-OD2 2.99Å; N141-A238 HydrophobicContact CB-CB 4.15Å; N141-E243 PolarHBondContact ND2-O 3.26Å; N141-R245 WeakPolarHBondContact O-CD 3.24Å; N141-R245 PolarHBondContact O-NE 3.43Å
142	D	95.8	Very high	97.2	Very high	33 Å²	33	58.1 Å²	58.1	18%	0.176	28%	0.282	C	S	.	.			trans	-100.8	-9	-177.8	56.5	-69.3	0	0	0	115.2	R140 D180 R245	R140-D142 VanDerWaalsContact C-N 3.25Å; R140-D142 WeakPolarHBondContact CB-OD1 3.47Å; R140-D142 PolarHBondContact O-N 2.67Å; R140-D142 VanDerWaalsContact O-N 3.13Å; R140-D142 VanDerWaalsContact O-OD1 3.13Å; D142-D180 PolarHBondContact N-OD2 3.47Å; D142-R245 VanDerWaalsContact C-CZ 3.43Å; D142-R245 PolarHBondContact O-NH1 2.93Å; D142-R245 PolarHBondContact O-NH2 2.77Å
143	N	97	Very high	97.2	Very high	48 Å²	48	62 Å²	62	26%	0.257	30%	0.295	S	S	.	.	S	Bend	trans	-103.9	156.9	169.6	-59.8	-80.1	0	0	0	111.6	D106 I179 D180 R245	D106-N143 PolarHBondContact OD2-ND2 2.94Å; N143-I179 HydrophobicContact CB-CD1 4.16Å; N143-I179 HydrophobicContact CB-CG1 3.58Å; N143-I179 VanDerWaalsContact CG-CD1 3.49Å; N143-I179 VanDerWaalsContact CG-CG1 3.41Å; N143-D180 WeakPolarHBondContact CB-OD1 3.5Å; N143-D180 PolarHBondContact N-OD1 2.61Å; N143-D180 PolarHBondContact N-OD2 3.49Å; N143-D180 PolarHBondContact ND2-OD1 2.98Å; N143-R245 WeakPolarHBondContact O-CD 3.15Å
144	S	97.3	Very high	97.3	Very high	41 Å²	41	62.4 Å²	62.4	29%	0.287	30%	0.298	S	S	.	.			trans	-113.9	151	179.4	-62.7	0	0	0	0	109.3	T146 R245	S144-T146 PolarHBondContact O-N 3.35Å; S144-R245 WeakPolarHBondContact OG-CB 3.45Å; S144-R245 WeakPolarHBondContact OG-CD 3.37Å; S144-R245 PolarHBondContact OG-NH1 3.13Å
145	P	97.9	Very high	97.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.298	C	S	.	.			trans	-55.5	135.6	175.8	-28.9	36.6	0	0	0	110.8	A176 D178 I187 A234 D236 T247	P145-A176 HydrophobicContact CB-CB 4.19Å; P145-D178 WeakPolarHBondContact CD-OD2 3.43Å; P145-D178 HydrophobicContact CG-CB 4.48Å; P145-D178 WeakPolarHBondContact CG-OD2 3.44Å; P145-I187 HydrophobicContact CB-CD1 3.56Å; P145-I187 HydrophobicContact CG-CD1 3.52Å; P145-A234 HydrophobicContact CB-CB 3.97Å; P145-D236 HydrophobicContact CG-CB 4.31Å; P145-T247 WeakPolarHBondContact O-CB 2.99Å; P145-T247 PolarHBondContact O-OG1 2.97Å
146	T	98	Very high	97.4	Very high	79 Å²	79	60.4 Å²	60.4	49%	0.485	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120.9	179	52	0	0	0	0	110.1	S144 A176 T177	S144-T146 PolarHBondContact O-N 3.35Å; T146-A176 CarbonylContact O-C 3.51Å; T146-A176 VanDerWaalsContact O-CA 3.22Å; T146-A176 WeakPolarHBondContact O-CA 3.04Å; T146-T177 PolarHBondContact N-O 3.45Å; T146-T177 PolarHBondContact O-N 3.32Å; T146-T177 PolarHBondContact OG1-O 2.78Å; T146-T177 VanDerWaalsContact OG1-O 3.11Å
147	F	98.2	Very high	97.4	Very high	30 Å²	30	60 Å²	60	13%	0.132	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	137.2	171.8	-77.6	-81.1	0	0	0	110.2	H149 Y152 F170 A176 Y189 A234 T247 T249	F147-H149 VanDerWaalsContact C-N 3.27Å; F147-H149 WeakPolarHBondContact CB-O 3.22Å; F147-H149 PolarHBondContact O-N 3.31Å; F147-Y152 HydrophobicContact CB-CE2 4.39Å; F147-Y152 AromaticContact CD1-CE2 3.71Å; F147-Y152 HydrophobicContact CD1-CE2 3.71Å; F147-Y152 HydrophobicContact CE1-CE2 4.39Å; F147-Y152 HydrophobicContact CG-CE2 4.33Å; F147-F170 HydrophobicContact CD1-CE1 4.27Å; F147-F170 HydrophobicContact CE1-CD1 4.34Å; F147-F170 AromaticContact CE1-CE1 3.82Å; F147-F170 HydrophobicContact CE1-CE1 3.82Å; F147-F170 HydrophobicContact CE1-CZ 4.08Å; F147-A176 HydrophobicContact CD1-CB 3.95Å; F147-A176 HydrophobicContact CD2-CB 4.39Å; F147-A176 HydrophobicContact CE1-CB 3.96Å; F147-A176 HydrophobicContact CE2-CB 4.39Å; F147-A176 HydrophobicContact CG-CB 4.17Å; F147-A176 HydrophobicContact CZ-CB 4.19Å; F147-Y189 HydrophobicContact CE1-CD1 4.31Å; F147-Y189 AromaticContact CE1-CE1 3.76Å; F147-Y189 HydrophobicContact CE1-CE1 3.76Å; F147-Y189 HydrophobicContact CZ-CD1 4.3Å; F147-Y189 HydrophobicContact CZ-CE1 4.08Å; F147-A234 HydrophobicContact CE2-CB 3.81Å; F147-A234 HydrophobicContact CZ-CB 3.67Å; F147-T247 HydrophobicContact CD2-CG2 3.96Å; F147-T247 HydrophobicContact CE2-CG2 4.41Å; F147-T249 HydrophobicContact CD1-CG2 3.75Å; F147-T249 HydrophobicContact CD2-CG2 4.05Å; F147-T249 HydrophobicContact CE1-CG2 3.45Å; F147-T249 VanDerWaalsContact CE1-CG2 3.45Å; F147-T249 HydrophobicContact CE2-CG2 3.77Å; F147-T249 HydrophobicContact CG-CG2 4.04Å; F147-T249 HydrophobicContact CZ-CG2 3.46Å; F147-T249 VanDerWaalsContact CZ-CG2 3.46Å
148	K	97.6	Very high	97.5	Very high	126 Å²	126	59.9 Å²	59.9	55%	0.548	30%	0.295	S	S	.	.	S	Bend	trans	-64.7	-32.2	176.5	-173.7	174.5	-174.4	173.7	0	113.4	D173 N174 G175	K148-D173 WeakPolarHBondContact CD-O 3.25Å; K148-N174 WeakPolarHBondContact CD-OD1 3.41Å; K148-G175 PolarHBondContact N-O 2.82Å
149	H	97.5	Very high	97.5	Very high	79 Å²	79	58 Å²	58	37%	0.366	29%	0.292	S	S	.	.	S	Bend	trans	-120.8	145.1	-179.9	-54.3	-74.3	0	0	0	109.9	F147 S151 Y152 N174	F147-H149 VanDerWaalsContact C-N 3.27Å; F147-H149 WeakPolarHBondContact CB-O 3.22Å; F147-H149 PolarHBondContact O-N 3.31Å; H149-S151 PolarHBondContact O-N 3.5Å; H149-Y152 HydrophobicContact CB-CE1 4.28Å; H149-Y152 HydrophobicContact CB-CE2 4.11Å; H149-Y152 AromaticContact CD2-CE1 3.63Å; H149-Y152 AromaticContact CD2-CZ 3.83Å; H149-N174 PolarHBondContact NE2-OD1 3.35Å
150	E	96.2	Very high	97.5	Very high	191 Å²	191	57.7 Å²	57.7	89%	0.893	29%	0.292	S	S	*	.	S	Bend	trans	-63.6	-34.1	176.7	-64.6	-175.7	170.4	0	0	111.9	T249	E150-T249 PolarHBondContact O-OG1 3.17Å
151	S	96.9	Very high	97.6	Very high	79 Å²	79	56.7 Å²	56.7	55%	0.552	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.8	155.4	-179.4	64.8	0	0	0	0	111.6	H149	H149-S151 PolarHBondContact O-N 3.5Å
152	Y	98.4	Very high	97.7	Very high	12 Å²	12	60 Å²	60	5%	0.047	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	156.6	177.1	-65.5	-97.4	0	0	0	110.8	F147 H149 F167 F170 N174 G175 T249 T250 L251 T252	F147-Y152 HydrophobicContact CB-CE2 4.39Å; F147-Y152 AromaticContact CD1-CE2 3.71Å; F147-Y152 HydrophobicContact CD1-CE2 3.71Å; F147-Y152 HydrophobicContact CE1-CE2 4.39Å; F147-Y152 HydrophobicContact CG-CE2 4.33Å; H149-Y152 HydrophobicContact CB-CE1 4.28Å; H149-Y152 HydrophobicContact CB-CE2 4.11Å; H149-Y152 AromaticContact CD2-CE1 3.63Å; H149-Y152 AromaticContact CD2-CZ 3.83Å; Y152-F167 HydrophobicContact CD1-CE2 4.33Å; Y152-F167 AromaticContact CD1-CZ 3.63Å; Y152-F167 HydrophobicContact CD1-CZ 3.63Å; Y152-F167 HydrophobicContact CE1-CZ 4.49Å; Y152-F167 AromaticContact CG-CZ 3.99Å; Y152-F167 HydrophobicContact CG-CZ 3.99Å; Y152-F170 HydrophobicContact CD1-CD1 4.19Å; Y152-F170 AromaticContact CD1-CE1 3.87Å; Y152-F170 HydrophobicContact CD1-CE1 3.87Å; Y152-F170 AromaticContact CD2-CE1 3.73Å; Y152-F170 HydrophobicContact CD2-CE1 3.73Å; Y152-F170 AromaticContact CE1-CD1 3.77Å; Y152-F170 HydrophobicContact CE1-CD1 3.77Å; Y152-F170 AromaticContact CE1-CE1 3.76Å; Y152-F170 HydrophobicContact CE1-CE1 3.76Å; Y152-F170 HydrophobicContact CE2-CD1 4.35Å; Y152-F170 AromaticContact CE2-CE1 3.67Å; Y152-F170 HydrophobicContact CE2-CE1 3.67Å; Y152-F170 AromaticContact CG-CE1 3.84Å; Y152-F170 HydrophobicContact CG-CE1 3.84Å; Y152-F170 AromaticContact CZ-CD1 3.88Å; Y152-F170 AromaticContact CZ-CE1 3.67Å; Y152-N174 VanDerWaalsContact CE1-O 3.31Å; Y152-N174 WeakPolarHBondContact CE1-O 3.34Å; Y152-N174 PolarHBondContact OH-O 2.8Å; Y152-G175 PolarHBondContact OH-O 3.38Å; Y152-T249 HydrophobicContact CD2-CG2 3.75Å; Y152-T249 WeakPolarHBondContact CD2-OG1 3.47Å; Y152-T249 HydrophobicContact CE2-CG2 3.87Å; Y152-T250 PolarHBondContact N-O 3.2Å; Y152-L251 WeakPolarHBondContact O-CA 3.48Å; Y152-T252 PolarHBondContact O-N 2.98Å
153	Y	98.4	Very high	97.8	Very high	129 Å²	129	60.8 Å²	60.8	51%	0.506	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.4	-176.6	-176.4	-103.8	0	0	0	111.5	T155 T252 D254	Y153-T155 HydrophobicContact CE1-CG2 3.58Å; Y153-T155 WeakPolarHBondContact OH-CG2 3.35Å; Y153-T252 WeakPolarHBondContact CA-O 3.3Å; Y153-T252 HydrophobicContact CD2-CG2 4.2Å; Y153-T252 HydrophobicContact CE2-CG2 4.35Å; Y153-D254 HydrophobicContact CE2-CB 4.22Å; Y153-D254 VanDerWaalsContact CE2-OD2 3.23Å; Y153-D254 WeakPolarHBondContact CE2-OD2 3.39Å; Y153-D254 WeakPolarHBondContact OH-CB 3.19Å; Y153-D254 PolarHBondContact OH-OD2 3.12Å
154	A	98.2	Very high	97.8	Very high	9 Å²	9	61.1 Å²	61.1	7%	0.074	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	153.9	172.6	0	0	0	0	0	110.7	F167 L251 T252 V253 D254	A154-F167 HydrophobicContact CB-CB 4.42Å; A154-F167 HydrophobicContact CB-CD2 4.06Å; A154-L251 HydrophobicContact CB-CD1 4.11Å; A154-T252 PolarHBondContact N-O 2.77Å; A154-V253 WeakPolarHBondContact O-CA 3.42Å; A154-D254 PolarHBondContact O-N 3.4Å
155	T	97.9	Very high	97.9	Very high	72 Å²	72	62.6 Å²	62.6	44%	0.442	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.7	170.8	54.3	0	0	0	0	109.4	Y153 D254 L256	Y153-T155 HydrophobicContact CE1-CG2 3.58Å; Y153-T155 WeakPolarHBondContact OH-CG2 3.35Å; T155-D254 CarbonylContact C-O 3.55Å; T155-D254 VanDerWaalsContact CA-O 3.27Å; T155-D254 WeakPolarHBondContact CA-O 3.33Å; T155-D254 HydrophobicContact CG2-CB 4.42Å; T155-L256 HydrophobicContact CG2-CD2 4.29Å
156	V	98.2	Very high	97.9	Very high	5 Å²	5	64 Å²	64	3%	0.03	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	124.5	-178.6	-174.8	0	0	0	0	109	T160 I166 L220 V253 D254 V255 L256	V156-T160 HydrophobicContact CG1-CG2 4.11Å; V156-T160 WeakPolarHBondContact CG1-OG1 3.22Å; V156-I166 HydrophobicContact CB-CG2 4.46Å; V156-I166 HydrophobicContact CG1-CG2 3.76Å; V156-I166 HydrophobicContact CG2-CB 3.59Å; V156-I166 HydrophobicContact CG2-CD1 4.43Å; V156-I166 HydrophobicContact CG2-CG1 4.16Å; V156-I166 HydrophobicContact CG2-CG2 3.76Å; V156-L220 HydrophobicContact CB-CD1 4.09Å; V156-L220 HydrophobicContact CG1-CD1 3.65Å; V156-V253 HydrophobicContact CB-CG1 4.34Å; V156-V253 HydrophobicContact CG2-CG1 3.66Å; V156-D254 PolarHBondContact N-O 3.17Å; V156-V255 CarbonylContact O-C 3.54Å; V156-V255 VanDerWaalsContact O-CA 3.24Å; V156-V255 WeakPolarHBondContact O-CA 3.37Å; V156-L256 PolarHBondContact O-N 3.22Å
157	N	97.9	Very high	97.9	Very high	58 Å²	58	61 Å²	61	31%	0.31	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	138.4	172.8	-177.6	-75.5	0	0	0	110	L159 T160	N157-L159 PolarHBondContact O-N 3.26Å; N157-L159 WeakPolarHBondContact OD1-CB 3.29Å; N157-L159 VanDerWaalsContact OD1-CG 3.31Å; N157-L159 WeakPolarHBondContact OD1-CG 3.39Å; N157-L159 PolarHBondContact OD1-N 3.13Å; N157-T160 WeakPolarHBondContact O-CB 3.34Å; N157-T160 PolarHBondContact O-N 3.17Å; N157-T160 PolarHBondContact O-OG1 2.77Å
158	E	98.3	Very high	97.9	Very high	0 Å²	0	63 Å²	63	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.9	-175.1	76.9	-172.7	103.3	0	0	114.5	T160 L220 N221 Y222 V255 L256 D257 G258	E158-T160 PolarHBondContact O-N 3.44Å; E158-L220 HydrophobicContact CB-CB 4.08Å; E158-N221 WeakPolarHBondContact OE2-CA 3.44Å; E158-Y222 WeakPolarHBondContact OE1-CB 3.41Å; E158-Y222 WeakPolarHBondContact OE2-CB 3.25Å; E158-Y222 PolarHBondContact OE2-N 2.91Å; E158-V255 HydrophobicContact CB-CG1 3.66Å; E158-L256 PolarHBondContact N-O 3.5Å; E158-D257 WeakPolarHBondContact OE1-CA 3.05Å; E158-G258 PolarHBondContact OE1-N 2.79Å
159	L	97.7	Very high	97.9	Very high	71 Å²	71	58 Å²	58	37%	0.372	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-2.8	176.6	-49	-179.1	0	0	0	112.8	N157 P161 D260	N157-L159 PolarHBondContact O-N 3.26Å; N157-L159 WeakPolarHBondContact OD1-CB 3.29Å; N157-L159 VanDerWaalsContact OD1-CG 3.31Å; N157-L159 WeakPolarHBondContact OD1-CG 3.39Å; N157-L159 PolarHBondContact OD1-N 3.13Å; L159-P161 WeakPolarHBondContact O-CD 3.47Å; L159-D260 HydrophobicContact CD2-CB 3.64Å
160	T	98.1	Very high	97.9	Very high	27 Å²	27	54.6 Å²	54.6	17%	0.166	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-58.6	123.2	178.8	-61.8	0	0	0	0	110.1	V156 N157 E158 T164 I166 L216	V156-T160 HydrophobicContact CG1-CG2 4.11Å; V156-T160 WeakPolarHBondContact CG1-OG1 3.22Å; N157-T160 WeakPolarHBondContact O-CB 3.34Å; N157-T160 PolarHBondContact O-N 3.17Å; N157-T160 PolarHBondContact O-OG1 2.77Å; E158-T160 PolarHBondContact O-N 3.44Å; T160-T164 VanDerWaalsContact CG2-CB 3.47Å; T160-T164 HydrophobicContact CG2-CG2 3.7Å; T160-I166 HydrophobicContact CG2-CG2 4.28Å; T160-L216 HydrophobicContact CG2-CD2 4.05Å; T160-L216 VanDerWaalsContact O-CD2 3.28Å; T160-L216 WeakPolarHBondContact O-CD2 3.4Å
161	P	98.3	Very high	97.9	Very high	88 Å²	88	49 Å²	49	57%	0.571	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-62	143.6	178.9	-24.6	34.6	0	0	0	112.5	L159 G163 T164	L159-P161 WeakPolarHBondContact O-CD 3.47Å; P161-G163 PolarHBondContact O-N 2.88Å; P161-T164 VanDerWaalsContact O-CB 3.28Å; P161-T164 WeakPolarHBondContact O-CB 3.48Å; P161-T164 PolarHBondContact O-N 2.91Å; P161-T164 PolarHBondContact O-OG1 3.37Å
162	V	98.2	Very high	97.7	Very high	83 Å²	83	48.6 Å²	48.6	50%	0.503	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	136.9	169.8	174.7	0	0	0	0	109.9	R217 R219	V162-R217 VanDerWaalsContact CG1-O 3.24Å; V162-R217 WeakPolarHBondContact CG1-O 3.23Å; V162-R219 HydrophobicContact CG2-CB 4.29Å
163	G	97.4	Very high	97.5	Very high	50 Å²	50	54 Å²	54	52%	0.515	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	-6	-173.8	0	0	0	0	0	114.1	P161 V215 L216	P161-G163 PolarHBondContact O-N 2.88Å; G163-V215 WeakPolarHBondContact O-CG1 3.37Å; G163-L216 PolarHBondContact N-O 3.33Å
164	T	98.2	Very high	97.4	Very high	55 Å²	55	50.1 Å²	50.1	34%	0.337	33%	0.326	S	S	.	.			trans	-71.8	134.9	175.7	-54.9	0	0	0	0	110.8	T160 P161 I166 V215 L216	T160-T164 VanDerWaalsContact CG2-CB 3.47Å; T160-T164 HydrophobicContact CG2-CG2 3.7Å; P161-T164 VanDerWaalsContact O-CB 3.28Å; P161-T164 WeakPolarHBondContact O-CB 3.48Å; P161-T164 PolarHBondContact O-N 2.91Å; P161-T164 PolarHBondContact O-OG1 3.37Å; T164-I166 PolarHBondContact O-N 2.92Å; T164-V215 WeakPolarHBondContact O-CA 3.33Å; T164-L216 PolarHBondContact O-N 3.44Å
165	T	98.4	Very high	97.3	Very high	72 Å²	72	49.7 Å²	49.7	44%	0.442	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	115.1	170.1	-59.3	0	0	0	0	109.3	T168 N213	T165-T168 HydrophobicContact CG2-CG2 3.7Å; T165-N213 HydrophobicContact CG2-CB 4.06Å
166	I	97.9	Very high	97.3	Very high	28 Å²	28	46.7 Å²	46.7	14%	0.144	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-15.4	-173.9	58.1	74.4	0	0	0	113.5	V156 T160 T164 F204 V214 L216	V156-I166 HydrophobicContact CB-CG2 4.46Å; V156-I166 HydrophobicContact CG1-CG2 3.76Å; V156-I166 HydrophobicContact CG2-CB 3.59Å; V156-I166 HydrophobicContact CG2-CD1 4.43Å; V156-I166 HydrophobicContact CG2-CG1 4.16Å; V156-I166 HydrophobicContact CG2-CG2 3.76Å; T160-I166 HydrophobicContact CG2-CG2 4.28Å; T164-I166 PolarHBondContact O-N 2.92Å; I166-F204 HydrophobicContact CD1-CD1 4.14Å; I166-F204 HydrophobicContact CD1-CE1 4.28Å; I166-F204 HydrophobicContact CG1-CD1 4.1Å; I166-F204 HydrophobicContact CG1-CE1 4.19Å; I166-V214 HydrophobicContact CD1-CB 3.86Å; I166-V214 HydrophobicContact CD1-CG1 3.7Å; I166-V214 HydrophobicContact CG1-CG1 4.34Å; I166-V214 PolarHBondContact N-O 3.37Å; I166-L216 HydrophobicContact CG2-CB 4.04Å
167	F	98.4	Very high	97.3	Very high	18 Å²	18	48.9 Å²	48.9	8%	0.079	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	130.6	-179.9	177.1	-97.3	0	0	0	111.6	Y152 A154 F170 N213 V214 L251	Y152-F167 HydrophobicContact CD1-CE2 4.33Å; Y152-F167 AromaticContact CD1-CZ 3.63Å; Y152-F167 HydrophobicContact CD1-CZ 3.63Å; Y152-F167 HydrophobicContact CE1-CZ 4.49Å; Y152-F167 AromaticContact CG-CZ 3.99Å; Y152-F167 HydrophobicContact CG-CZ 3.99Å; A154-F167 HydrophobicContact CB-CB 4.42Å; A154-F167 HydrophobicContact CB-CD2 4.06Å; F167-F170 HydrophobicContact CD1-CE2 4.43Å; F167-F170 AromaticContact CE1-CD1 3.84Å; F167-F170 HydrophobicContact CE1-CD1 3.84Å; F167-F170 AromaticContact CE1-CD2 3.9Å; F167-F170 HydrophobicContact CE1-CD2 3.9Å; F167-F170 AromaticContact CE1-CE1 3.76Å; F167-F170 HydrophobicContact CE1-CE1 3.76Å; F167-F170 AromaticContact CE1-CE2 3.8Å; F167-F170 HydrophobicContact CE1-CE2 3.8Å; F167-F170 AromaticContact CE1-CG 3.93Å; F167-F170 HydrophobicContact CE1-CG 3.93Å; F167-F170 AromaticContact CE1-CZ 3.75Å; F167-F170 HydrophobicContact CE1-CZ 3.75Å; F167-F170 HydrophobicContact CZ-CD1 4.18Å; F167-F170 HydrophobicContact CZ-CE1 4.07Å; F167-F170 HydrophobicContact CZ-CZ 4.41Å; F167-N213 WeakPolarHBondContact O-CA 3.29Å; F167-V214 HydrophobicContact CB-CB 4.12Å; F167-V214 HydrophobicContact CB-CG2 4.46Å; F167-V214 HydrophobicContact CD1-CG2 4.05Å; F167-V214 PolarHBondContact N-O 2.7Å; F167-V214 PolarHBondContact O-N 3.21Å; F167-L251 HydrophobicContact CB-CD2 4.17Å; F167-L251 HydrophobicContact CD1-CD2 4Å; F167-L251 HydrophobicContact CD2-CD1 3.83Å; F167-L251 HydrophobicContact CD2-CD2 4.45Å; F167-L251 HydrophobicContact CE1-CD2 4.5Å; F167-L251 HydrophobicContact CE2-CD1 3.82Å; F167-L251 HydrophobicContact CG-CD1 4.19Å; F167-L251 HydrophobicContact CG-CD2 3.97Å; F167-L251 HydrophobicContact CZ-CD1 4.18Å
168	T	98	Very high	97.3	Very high	72 Å²	72	47.1 Å²	47.1	44%	0.442	31%	0.308	S	S	.	.			trans	-127.8	17	177.7	56.8	0	0	0	0	111.8	T165 F170 S171	T165-T168 HydrophobicContact CG2-CG2 3.7Å; T168-F170 PolarHBondContact O-N 3.49Å; T168-F170 VanDerWaalsContact O-N 3.07Å; T168-S171 WeakPolarHBondContact O-CB 3.08Å; T168-S171 PolarHBondContact O-N 2.99Å; T168-S171 VanDerWaalsContact O-N 3.11Å; T168-S171 PolarHBondContact O-OG 3.05Å
169	G	96.7	Very high	97.3	Very high	20 Å²	20	50.6 Å²	50.6	21%	0.206	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-3	-170.3	0	0	0	0	0	115.4	N174	G169-N174 WeakPolarHBondContact O-CB 3.39Å; G169-N174 PolarHBondContact O-ND2 3.26Å
170	F	97.5	Very high	97.3	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.035	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-9.7	171.8	-59.6	-34.6	0	0	0	114.1	F147 Y152 F167 T168 G175 Y189 G212 I232 T249	F147-F170 HydrophobicContact CD1-CE1 4.27Å; F147-F170 HydrophobicContact CE1-CD1 4.34Å; F147-F170 AromaticContact CE1-CE1 3.82Å; F147-F170 HydrophobicContact CE1-CE1 3.82Å; F147-F170 HydrophobicContact CE1-CZ 4.08Å; Y152-F170 HydrophobicContact CD1-CD1 4.19Å; Y152-F170 AromaticContact CD1-CE1 3.87Å; Y152-F170 HydrophobicContact CD1-CE1 3.87Å; Y152-F170 AromaticContact CD2-CE1 3.73Å; Y152-F170 HydrophobicContact CD2-CE1 3.73Å; Y152-F170 AromaticContact CE1-CD1 3.77Å; Y152-F170 HydrophobicContact CE1-CD1 3.77Å; Y152-F170 AromaticContact CE1-CE1 3.76Å; Y152-F170 HydrophobicContact CE1-CE1 3.76Å; Y152-F170 HydrophobicContact CE2-CD1 4.35Å; Y152-F170 AromaticContact CE2-CE1 3.67Å; Y152-F170 HydrophobicContact CE2-CE1 3.67Å; Y152-F170 AromaticContact CG-CE1 3.84Å; Y152-F170 HydrophobicContact CG-CE1 3.84Å; Y152-F170 AromaticContact CZ-CD1 3.88Å; Y152-F170 AromaticContact CZ-CE1 3.67Å; F167-F170 HydrophobicContact CD1-CE2 4.43Å; F167-F170 AromaticContact CE1-CD1 3.84Å; F167-F170 HydrophobicContact CE1-CD1 3.84Å; F167-F170 AromaticContact CE1-CD2 3.9Å; F167-F170 HydrophobicContact CE1-CD2 3.9Å; F167-F170 AromaticContact CE1-CE1 3.76Å; F167-F170 HydrophobicContact CE1-CE1 3.76Å; F167-F170 AromaticContact CE1-CE2 3.8Å; F167-F170 HydrophobicContact CE1-CE2 3.8Å; F167-F170 AromaticContact CE1-CG 3.93Å; F167-F170 HydrophobicContact CE1-CG 3.93Å; F167-F170 AromaticContact CE1-CZ 3.75Å; F167-F170 HydrophobicContact CE1-CZ 3.75Å; F167-F170 HydrophobicContact CZ-CD1 4.18Å; F167-F170 HydrophobicContact CZ-CE1 4.07Å; F167-F170 HydrophobicContact CZ-CZ 4.41Å; T168-F170 PolarHBondContact O-N 3.49Å; T168-F170 VanDerWaalsContact O-N 3.07Å; F170-G175 PolarHBondContact O-N 3.08Å; F170-G175 VanDerWaalsContact O-N 3.15Å; F170-Y189 HydrophobicContact CB-CE2 4.49Å; F170-Y189 HydrophobicContact CD2-CD1 4.05Å; F170-Y189 HydrophobicContact CD2-CE1 4.04Å; F170-Y189 HydrophobicContact CD2-CG 4.39Å; F170-Y189 HydrophobicContact CE2-CD1 4.15Å; F170-Y189 HydrophobicContact CE2-CE1 4.4Å; F170-Y189 HydrophobicContact CG-CE1 4.17Å; F170-G212 VanDerWaalsContact CD2-O 3.26Å; F170-G212 WeakPolarHBondContact CD2-O 3.4Å; F170-I232 HydrophobicContact CE2-CD1 3.71Å; F170-I232 HydrophobicContact CE2-CG2 3.86Å; F170-I232 HydrophobicContact CZ-CB 4.34Å; F170-I232 HydrophobicContact CZ-CD1 3.65Å; F170-I232 HydrophobicContact CZ-CG2 4.02Å; F170-T249 HydrophobicContact CE1-CG2 4.4Å; F170-T249 HydrophobicContact CZ-CG2 4.28Å
171	S	96.3	Very high	97.2	Very high	73 Å²	73	50.4 Å²	50.4	51%	0.51	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	150.6	179.2	60.3	0	0	0	0	112.8	T168 N174	T168-S171 WeakPolarHBondContact O-CB 3.08Å; T168-S171 PolarHBondContact O-N 2.99Å; T168-S171 VanDerWaalsContact O-N 3.11Å; T168-S171 PolarHBondContact O-OG 3.05Å; S171-N174 VanDerWaalsContact O-CB 3.26Å; S171-N174 WeakPolarHBondContact O-CB 3.36Å; S171-N174 PolarHBondContact O-N 2.9Å
172	G	93.4	Very high	97	Very high	71 Å²	71	47.6 Å²	47.6	73%	0.732	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	52.8	172.7	0	0	0	0	0	114.4	N174	G172-N174 PolarHBondContact O-N 2.86Å
173	D	93.6	Very high	96.9	Very high	126 Å²	126	46 Å²	46	67%	0.674	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	28.1	-179.3	-49.9	-24.9	0	0	0	113.2	K148 T177	K148-D173 WeakPolarHBondContact CD-O 3.25Å; D173-T177 HydrophobicContact CB-CG2 4.16Å
174	N	97.1	Very high	96.9	Very high	47 Å²	47	44.7 Å²	44.7	25%	0.251	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-9.3	174.3	-158.3	62.8	0	0	0	112.6	K148 H149 Y152 G169 S171 G172	K148-N174 WeakPolarHBondContact CD-OD1 3.41Å; H149-N174 PolarHBondContact NE2-OD1 3.35Å; Y152-N174 VanDerWaalsContact CE1-O 3.31Å; Y152-N174 WeakPolarHBondContact CE1-O 3.34Å; Y152-N174 PolarHBondContact OH-O 2.8Å; G169-N174 WeakPolarHBondContact O-CB 3.39Å; G169-N174 PolarHBondContact O-ND2 3.26Å; S171-N174 VanDerWaalsContact O-CB 3.26Å; S171-N174 WeakPolarHBondContact O-CB 3.36Å; S171-N174 PolarHBondContact O-N 2.9Å; G172-N174 PolarHBondContact O-N 2.86Å
175	G	96.7	Very high	96.8	Very high	0 Å²	0	43 Å²	43	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-89.8	-135	171.6	0	0	0	0	0	112.9	K148 Y152 F170	K148-G175 PolarHBondContact N-O 2.82Å; Y152-G175 PolarHBondContact OH-O 3.38Å; F170-G175 PolarHBondContact O-N 3.08Å; F170-G175 VanDerWaalsContact O-N 3.15Å
176	A	97.6	Very high	96.7	Very high	8 Å²	8	43.5 Å²	43.5	7%	0.066	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	141.8	171.6	0	0	0	0	0	111.7	P145 T146 F147 I187 Y189 A234	P145-A176 HydrophobicContact CB-CB 4.19Å; T146-A176 CarbonylContact O-C 3.51Å; T146-A176 VanDerWaalsContact O-CA 3.22Å; T146-A176 WeakPolarHBondContact O-CA 3.04Å; F147-A176 HydrophobicContact CD1-CB 3.95Å; F147-A176 HydrophobicContact CD2-CB 4.39Å; F147-A176 HydrophobicContact CE1-CB 3.96Å; F147-A176 HydrophobicContact CE2-CB 4.39Å; F147-A176 HydrophobicContact CG-CB 4.17Å; F147-A176 HydrophobicContact CZ-CB 4.19Å; A176-I187 HydrophobicContact CB-CG2 4.28Å; A176-Y189 HydrophobicContact CB-CE1 3.97Å; A176-Y189 PolarHBondContact N-OH 3.38Å; A176-Y189 PolarHBondContact O-OH 3.08Å; A176-A234 HydrophobicContact CB-CB 3.45Å; A176-A234 VanDerWaalsContact CB-CB 3.45Å
177	T	97.6	Very high	96.7	Very high	52 Å²	52	43.2 Å²	43.2	32%	0.319	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.1	172.6	52	0	0	0	0	109.5	T146 D173	T146-T177 PolarHBondContact N-O 3.45Å; T146-T177 PolarHBondContact O-N 3.32Å; T146-T177 PolarHBondContact OG1-O 2.78Å; T146-T177 VanDerWaalsContact OG1-O 3.11Å; D173-T177 HydrophobicContact CB-CG2 4.16Å
178	D	98	Very high	96.7	Very high	20 Å²	20	43.8 Å²	43.8	11%	0.107	28%	0.277	C	S	.	.			trans	-118	141.9	171.9	-157.2	-45.2	0	0	0	108.7	P145 D180 I187	P145-D178 WeakPolarHBondContact CD-OD2 3.43Å; P145-D178 HydrophobicContact CG-CB 4.48Å; P145-D178 WeakPolarHBondContact CG-OD2 3.44Å; D178-D180 PolarHBondContact OD1-N 2.86Å; D178-D180 VanDerWaalsContact OD1-N 3.15Å; D178-I187 HydrophobicContact CB-CD1 3.76Å
179	I	97.6	Very high	96.7	Very high	73 Å²	73	41 Å²	41	37%	0.374	26%	0.258	S	S	.	.			trans	-93.5	-13.4	-173.3	67.6	171.1	0	0	0	112.9	D106 N143	D106-I179 HydrophobicContact CB-CD1 4.21Å; D106-I179 HydrophobicContact CB-CG1 4.36Å; N143-I179 HydrophobicContact CB-CD1 4.16Å; N143-I179 HydrophobicContact CB-CG1 3.58Å; N143-I179 VanDerWaalsContact CG-CD1 3.49Å; N143-I179 VanDerWaalsContact CG-CG1 3.41Å
180	D	97.5	Very high	96.8	Very high	9 Å²	9	42 Å²	42	5%	0.048	26%	0.26	C	S	.	.	S	Bend	trans	-65.2	164.7	173.3	-60.6	-14.8	0	0	0	110.3	N141 D142 N143 D178 N184 G185	N141-D180 VanDerWaalsContact CA-OD2 3.29Å; N141-D180 WeakPolarHBondContact CA-OD2 3.38Å; N141-D180 PolarHBondContact OD1-OD2 2.86Å; D142-D180 PolarHBondContact N-OD2 3.47Å; N143-D180 WeakPolarHBondContact CB-OD1 3.5Å; N143-D180 PolarHBondContact N-OD1 2.61Å; N143-D180 PolarHBondContact N-OD2 3.49Å; N143-D180 PolarHBondContact ND2-OD1 2.98Å; D178-D180 PolarHBondContact OD1-N 2.86Å; D178-D180 VanDerWaalsContact OD1-N 3.15Å; D180-N184 HydrophobicContact CB-CB 3.51Å; D180-G185 WeakPolarHBondContact O-CA 3.38Å; D180-G185 PolarHBondContact O-N 2.77Å
181	D	96	Very high	96.8	Very high	85 Å²	85	42.8 Å²	42.8	46%	0.455	27%	0.265	S	S	.	.			trans	-99	160.1	-177	-171.8	31.1	0	0	0	114.2	R105 D139 N184 G185	R105-D181 IonicContact CZ-OD2 3.41Å; R105-D181 IonicContact NH1-OD2 3.74Å; R105-D181 PolarHBondContact NH1-OD2 3.39Å; R105-D181 IonicContact NH2-OD2 2.87Å; R105-D181 PolarHBondContact NH2-OD2 3.49Å; D139-D181 WeakPolarHBondContact OD1-CB 3.36Å; D139-D181 PolarHBondContact OD1-N 2.76Å; D139-D181 PolarHBondContact OD2-N 3.15Å; D181-N184 WeakPolarHBondContact O-CB 3.36Å; D181-N184 PolarHBondContact O-N 2.82Å; D181-G185 PolarHBondContact O-N 3.25Å
182	G	95.3	Very high	96.9	Very high	30 Å²	30	42.5 Å²	42.5	31%	0.309	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	-132.5	174.7	0	0	0	0	0	112.7	N184 G185 Q186	G182-N184 VanDerWaalsContact C-N 3.3Å; G182-N184 PolarHBondContact O-N 3Å; G182-G185 PolarHBondContact O-N 2.79Å; G182-Q186 VanDerWaalsContact O-CG 3.25Å; G182-Q186 WeakPolarHBondContact O-CG 3.39Å; G182-Q186 PolarHBondContact O-N 3.32Å; G182-Q186 PolarHBondContact O-NE2 2.75Å
183	P	96.5	Very high	97.1	Very high	49 Å²	49	45.2 Å²	45.2	32%	0.318	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-28.7	178.2	-22	34.2	0	0	0	114.6	G185 Q186 R237	P183-G185 VanDerWaalsContact C-N 3.28Å; P183-Q186 PolarHBondContact O-N 3.14Å; P183-R237 HydrophobicContact CB-CB 4.28Å; P183-R237 VanDerWaalsContact CB-O 3.24Å; P183-R237 WeakPolarHBondContact CB-O 3.48Å; P183-R237 CarbonylContact O-C 3.55Å; P183-R237 VanDerWaalsContact O-CA 3.22Å; P183-R237 WeakPolarHBondContact O-CA 3.2Å; P183-R237 VanDerWaalsContact O-CB 3.26Å; P183-R237 WeakPolarHBondContact O-CB 3.39Å; P183-R237 PolarHBondContact O-N 3.46Å
184	N	96.9	Very high	97.3	Very high	22 Å²	22	39.5 Å²	39.5	12%	0.118	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-34.1	176.8	-63.3	-13.7	0	0	0	110.1	D139 N141 D180 D181 G182 Q186 D236 A238	D139-N184 WeakPolarHBondContact OD2-CB 3.21Å; D139-N184 PolarHBondContact OD2-ND2 3.1Å; N141-N184 HydrophobicContact CB-CB 4.22Å; N141-N184 WeakPolarHBondContact OD1-CA 3.42Å; N141-N184 WeakPolarHBondContact OD1-CB 3.3Å; D180-N184 HydrophobicContact CB-CB 3.51Å; D181-N184 WeakPolarHBondContact O-CB 3.36Å; D181-N184 PolarHBondContact O-N 2.82Å; G182-N184 VanDerWaalsContact C-N 3.3Å; G182-N184 PolarHBondContact O-N 3Å; N184-Q186 PolarHBondContact O-N 3.05Å; N184-D236 WeakPolarHBondContact O-CB 3.18Å; N184-A238 WeakPolarHBondContact OD1-CA 3.39Å
185	G	95.8	Very high	97.3	Very high	20 Å²	20	41.7 Å²	41.7	21%	0.206	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-11	172.6	0	0	0	0	0	116.8	D180 D181 G182 P183	D180-G185 WeakPolarHBondContact O-CA 3.38Å; D180-G185 PolarHBondContact O-N 2.77Å; D181-G185 PolarHBondContact O-N 3.25Å; G182-G185 PolarHBondContact O-N 2.79Å; P183-G185 VanDerWaalsContact C-N 3.28Å
186	Q	97	Very high	97.4	Very high	82 Å²	82	50.2 Å²	50.2	38%	0.383	27%	0.27	S	S	.	.			trans	-90.7	134	-171.7	-79	166.9	31	0	0	111.9	G182 P183 N184 D236 R237	G182-Q186 VanDerWaalsContact O-CG 3.25Å; G182-Q186 WeakPolarHBondContact O-CG 3.39Å; G182-Q186 PolarHBondContact O-N 3.32Å; G182-Q186 PolarHBondContact O-NE2 2.75Å; P183-Q186 PolarHBondContact O-N 3.14Å; N184-Q186 PolarHBondContact O-N 3.05Å; Q186-D236 CarbonylContact O-C 3.5Å; Q186-D236 VanDerWaalsContact O-CA 3.23Å; Q186-D236 WeakPolarHBondContact O-CA 3.38Å; Q186-R237 HydrophobicContact CB-CB 4.25Å; Q186-R237 HydrophobicContact CB-CG 4.07Å; Q186-R237 WeakPolarHBondContact O-CG 3.33Å; Q186-R237 PolarHBondContact O-N 3.16Å; Q186-R237 VanDerWaalsContact O-N 3.08Å
187	I	97.5	Very high	97.4	Very high	22 Å²	22	50.1 Å²	50.1	11%	0.113	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.3	-174.8	-55.4	-55.3	0	0	0	112.8	P145 A176 D178 Y189 A234	P145-I187 HydrophobicContact CB-CD1 3.56Å; P145-I187 HydrophobicContact CG-CD1 3.52Å; A176-I187 HydrophobicContact CB-CG2 4.28Å; D178-I187 HydrophobicContact CB-CD1 3.76Å; I187-Y189 HydrophobicContact CB-CE2 4.45Å; I187-Y189 HydrophobicContact CG2-CD1 4.32Å; I187-Y189 HydrophobicContact CG2-CD2 4.08Å; I187-Y189 HydrophobicContact CG2-CE1 3.95Å; I187-Y189 HydrophobicContact CG2-CE2 3.69Å; I187-Y189 HydrophobicContact CG2-CG 4.38Å; I187-A234 HydrophobicContact CG2-CB 3.85Å
188	E	97.8	Very high	97.3	Very high	31 Å²	31	50.7 Å²	50.7	15%	0.145	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.8	163.6	-76.7	171.8	177.6	0	0	109.7	M209 L210 A234 N235 R237 R244	E188-M209 HydrophobicContact CB-CB 4.23Å; E188-M209 HydrophobicContact CG-CB 4.29Å; E188-L210 HydrophobicContact CG-CD2 4.07Å; E188-A234 WeakPolarHBondContact O-CA 3.48Å; E188-N235 VanDerWaalsContact CB-ND2 3.31Å; E188-N235 WeakPolarHBondContact CB-ND2 3.22Å; E188-N235 PolarHBondContact N-O 2.82Å; E188-N235 PolarHBondContact O-N 3.26Å; E188-N235 PolarHBondContact O-ND2 2.95Å; E188-R237 HydrophobicContact CG-CG 3.77Å; E188-R237 WeakPolarHBondContact OE1-CD 3.29Å; E188-R237 IonicContact OE1-CZ 2.72Å; E188-R237 IonicContact OE1-NE 2.72Å; E188-R237 PolarHBondContact OE1-NE 2.88Å; E188-R237 IonicContact OE1-NH2 3.95Å; E188-R244 IonicContact OE2-CZ 3.73Å; E188-R244 IonicContact OE2-NH1 3.95Å; E188-R244 PolarHBondContact OE2-NH1 3.21Å; E188-R244 IonicContact OE2-NH2 3.49Å
189	Y	98.4	Very high	97.3	Very high	12 Å²	12	52.7 Å²	52.7	5%	0.047	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.9	175.8	-62.3	-83.3	0	0	0	111.4	F147 F170 A176 I187 M209 G212 I232 Q233 A234	F147-Y189 HydrophobicContact CE1-CD1 4.31Å; F147-Y189 AromaticContact CE1-CE1 3.76Å; F147-Y189 HydrophobicContact CE1-CE1 3.76Å; F147-Y189 HydrophobicContact CZ-CD1 4.3Å; F147-Y189 HydrophobicContact CZ-CE1 4.08Å; F170-Y189 HydrophobicContact CB-CE2 4.49Å; F170-Y189 HydrophobicContact CD2-CD1 4.05Å; F170-Y189 HydrophobicContact CD2-CE1 4.04Å; F170-Y189 HydrophobicContact CD2-CG 4.39Å; F170-Y189 HydrophobicContact CE2-CD1 4.15Å; F170-Y189 HydrophobicContact CE2-CE1 4.4Å; F170-Y189 HydrophobicContact CG-CE1 4.17Å; A176-Y189 HydrophobicContact CB-CE1 3.97Å; A176-Y189 PolarHBondContact N-OH 3.38Å; A176-Y189 PolarHBondContact O-OH 3.08Å; I187-Y189 HydrophobicContact CB-CE2 4.45Å; I187-Y189 HydrophobicContact CG2-CD1 4.32Å; I187-Y189 HydrophobicContact CG2-CD2 4.08Å; I187-Y189 HydrophobicContact CG2-CE1 3.95Å; I187-Y189 HydrophobicContact CG2-CE2 3.69Å; I187-Y189 HydrophobicContact CG2-CG 4.38Å; Y189-M209 WeakPolarHBondContact CD2-O 3.49Å; Y189-M209 PolarHBondContact N-O 3.29Å; Y189-M209 WeakPolarHBondContact O-CG 3.27Å; Y189-G212 VanDerWaalsContact CD2-CA 3.42Å; Y189-I232 HydrophobicContact CD1-CG2 4.12Å; Y189-Q233 CarbonylContact C-O 3.52Å; Y189-Q233 WeakPolarHBondContact CA-O 3.3Å; Y189-A234 HydrophobicContact CD1-CB 4.16Å; Y189-A234 HydrophobicContact CE1-CB 4.08Å
190	V	98.1	Very high	97.3	Very high	41 Å²	41	49.2 Å²	49.2	25%	0.248	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	132.5	-180	-178	0	0	0	0	109.8	M209 Q233	V190-M209 HydrophobicContact CG2-CE 4.41Å; V190-M209 HydrophobicContact CG2-SD 4.22Å; V190-Q233 PolarHBondContact N-O 2.8Å; V190-Q233 PolarHBondContact O-N 2.86Å
191	I	98.3	Very high	97.3	Very high	26 Å²	26	50.8 Å²	50.8	13%	0.133	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	129.4	170.4	-70.8	174	0	0	0	109.2	N201 F204 I206 V214 V230 I231 I232	I191-N201 HydrophobicContact CG2-CB 3.68Å; I191-F204 HydrophobicContact CD1-CB 4.01Å; I191-I206 HydrophobicContact CD1-CD1 4.3Å; I191-I206 HydrophobicContact CD1-CG1 3.88Å; I191-I206 HydrophobicContact CG1-CD1 3.79Å; I191-I206 HydrophobicContact CG1-CG1 3.89Å; I191-V214 HydrophobicContact CD1-CG1 4.14Å; I191-V230 HydrophobicContact CB-CG1 4.43Å; I191-V230 HydrophobicContact CD1-CG1 3.72Å; I191-V230 HydrophobicContact CG1-CG1 3.78Å; I191-V230 HydrophobicContact CG2-CG1 3.81Å; I191-I231 WeakPolarHBondContact CA-O 3.38Å; I191-I232 HydrophobicContact CG1-CG1 4.14Å
192	Q	98	Very high	97.4	Very high	67 Å²	67	49.9 Å²	49.9	31%	0.313	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	154.2	177.3	-66	-64.8	-32.8	0	0	110.8	N194 I231 Q233	Q192-N194 PolarHBondContact O-N 3.41Å; Q192-I231 HydrophobicContact CB-CB 4.21Å; Q192-I231 HydrophobicContact CB-CG2 3.93Å; Q192-I231 HydrophobicContact CG-CG2 4.44Å; Q192-I231 PolarHBondContact N-O 3.24Å; Q192-Q233 HydrophobicContact CG-CB 3.77Å
193	Y	98.1	Very high	97.5	Very high	127 Å²	127	48.8 Å²	48.8	50%	0.498	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-62.8	128	168.3	174.6	-104.4	0	0	0	109.7	P195 P198	Y193-P195 HydrophobicContact CD1-CG 4.14Å; Y193-P195 HydrophobicContact CE1-CB 4.17Å; Y193-P195 HydrophobicContact CE1-CG 3.95Å; Y193-P195 WeakPolarHBondContact O-CD 3.44Å; Y193-P198 HydrophobicContact CE2-CB 3.8Å
194	N	98	Very high	97.6	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.037	24%	0.244	C	C	.	.			trans	-101.8	111.1	174.1	-174.8	-3.2	0	0	0	109.6	Q192 E196 D197 P198 Y229 I231	Q192-N194 PolarHBondContact O-N 3.41Å; N194-E196 PolarHBondContact O-N 2.77Å; N194-E196 WeakPolarHBondContact OD1-CB 3.22Å; N194-E196 PolarHBondContact OD1-N 2.89Å; N194-D197 HydrophobicContact CB-CB 4.37Å; N194-D197 CarbonylContact O-C 3.57Å; N194-D197 PolarHBondContact O-N 2.91Å; N194-P198 WeakPolarHBondContact O-CA 3.22Å; N194-P198 VanDerWaalsContact O-N 3.12Å; N194-Y229 PolarHBondContact ND2-O 3Å; N194-I231 HydrophobicContact CB-CD1 3.78Å; N194-I231 HydrophobicContact CB-CG1 3.98Å
195	P	97.4	Very high	97.7	Very high	93 Å²	93	48.9 Å²	48.9	60%	0.604	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-27.6	176.5	-23.1	33.9	0	0	0	113.9	Y193	Y193-P195 HydrophobicContact CD1-CG 4.14Å; Y193-P195 HydrophobicContact CE1-CB 4.17Å; Y193-P195 HydrophobicContact CE1-CG 3.95Å; Y193-P195 WeakPolarHBondContact O-CD 3.44Å
196	E	97	Very high	97.8	Very high	178 Å²	178	48.8 Å²	48.8	83%	0.832	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.9	177.4	-59	-174.1	169.9	0	0	112.6	N194	N194-E196 PolarHBondContact O-N 2.77Å; N194-E196 WeakPolarHBondContact OD1-CB 3.22Å; N194-E196 PolarHBondContact OD1-N 2.89Å
197	D	97.6	Very high	97.8	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.032	26%	0.256	C	S	.	.	S	Bend	trans	-138.9	76.2	173.5	-168.7	-0.3	0	0	0	111.6	N194 T199 S200 K225 Y228 Y229	N194-D197 HydrophobicContact CB-CB 4.37Å; N194-D197 CarbonylContact O-C 3.57Å; N194-D197 PolarHBondContact O-N 2.91Å; D197-T199 PolarHBondContact O-N 2.93Å; D197-T199 PolarHBondContact OD1-OG1 2.77Å; D197-T199 VanDerWaalsContact OD1-OG1 3.1Å; D197-S200 PolarHBondContact O-N 2.86Å; D197-S200 VanDerWaalsContact O-N 3.07Å; D197-S200 PolarHBondContact O-OG 2.88Å; D197-S200 VanDerWaalsContact O-OG 3.08Å; D197-K225 WeakPolarHBondContact OD1-CE 3.29Å; D197-K225 IonicContact OD1-NZ 2.83Å; D197-K225 PolarHBondContact OD1-NZ 3.35Å; D197-K225 WeakPolarHBondContact OD2-CE 3.41Å; D197-K225 IonicContact OD2-NZ 3.12Å; D197-K225 PolarHBondContact OD2-NZ 3.27Å; D197-Y228 WeakPolarHBondContact OD2-CA 3.43Å; D197-Y229 PolarHBondContact OD2-N 2.91Å
198	P	97.2	Very high	97.8	Very high	64 Å²	64	53 Å²	53	42%	0.416	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-13.1	-171.1	-28.1	37.5	0	0	0	115.4	Y193 N194 N201	Y193-P198 HydrophobicContact CE2-CB 3.8Å; N194-P198 WeakPolarHBondContact O-CA 3.22Å; N194-P198 VanDerWaalsContact O-N 3.12Å; P198-N201 PolarHBondContact O-OD1 2.79Å
199	T	97.5	Very high	97.8	Very high	63 Å²	63	56 Å²	56	39%	0.387	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-10	-176.8	64.2	0	0	0	0	112.9	D197 D202 T203	D197-T199 PolarHBondContact O-N 2.93Å; D197-T199 PolarHBondContact OD1-OG1 2.77Å; D197-T199 VanDerWaalsContact OD1-OG1 3.1Å; T199-D202 WeakPolarHBondContact O-CB 3.36Å; T199-D202 PolarHBondContact O-N 2.82Å; T199-T203 WeakPolarHBondContact O-CB 3.36Å; T199-T203 PolarHBondContact O-N 2.9Å; T199-T203 PolarHBondContact O-OG1 2.84Å
200	S	97.9	Very high	97.7	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-69.1	-45.5	-172.4	70.2	0	0	0	0	112.7	D197 D202 T203 F204 Y229	D197-S200 PolarHBondContact O-N 2.86Å; D197-S200 VanDerWaalsContact O-N 3.07Å; D197-S200 PolarHBondContact O-OG 2.88Å; D197-S200 VanDerWaalsContact O-OG 3.08Å; S200-D202 PolarHBondContact O-N 2.84Å; S200-T203 PolarHBondContact O-N 2.73Å; S200-T203 VanDerWaalsContact O-N 3.15Å; S200-F204 WeakPolarHBondContact O-CD2 3.49Å; S200-F204 PolarHBondContact O-N 2.69Å; S200-Y229 WeakPolarHBondContact CB-O 3.18Å; S200-Y229 PolarHBondContact OG-O 2.97Å
201	N	97	Very high	97.6	Very high	41 Å²	41	61.6 Å²	61.6	22%	0.219	33%	0.325	C	S	.	.	H	α-helix	trans	-69.2	-17.1	176.1	71.3	-56.1	0	0	0	113.9	I191 P198	I191-N201 HydrophobicContact CG2-CB 3.68Å; P198-N201 PolarHBondContact O-OD1 2.79Å
202	D	97.7	Very high	97.5	Very high	66 Å²	66	60.4 Å²	60.4	35%	0.353	32%	0.319	S	S	.	.	H	α-helix	trans	-86.2	-28.6	174.6	-105.8	24.2	0	0	0	112.3	T199 S200 K218	T199-D202 WeakPolarHBondContact O-CB 3.36Å; T199-D202 PolarHBondContact O-N 2.82Å; S200-D202 PolarHBondContact O-N 2.84Å; D202-K218 WeakPolarHBondContact O-CD 3.39Å; D202-K218 WeakPolarHBondContact O-CE 2.98Å; D202-K218 WeakPolarHBondContact O-CG 3.38Å; D202-K218 IonicContact OD2-NZ 3.57Å; D202-K218 PolarHBondContact OD2-NZ 3.14Å
203	T	98.4	Very high	97.5	Very high	7 Å²	7	59.3 Å²	59.3	4%	0.043	32%	0.315	C	S	.	.	H	α-helix	trans	-91.7	-29.3	-175.4	-55.2	0	0	0	0	112	T199 S200 L216 R217 K218 L220 Y228	T199-T203 WeakPolarHBondContact O-CB 3.36Å; T199-T203 PolarHBondContact O-N 2.9Å; T199-T203 PolarHBondContact O-OG1 2.84Å; S200-T203 PolarHBondContact O-N 2.73Å; S200-T203 VanDerWaalsContact O-N 3.15Å; T203-L216 HydrophobicContact CG2-CD1 4.2Å; T203-R217 WeakPolarHBondContact O-CA 3.48Å; T203-R217 WeakPolarHBondContact O-CB 3.41Å; T203-R217 PolarHBondContact O-N 3.16Å; T203-K218 HydrophobicContact CG2-CB 4.38Å; T203-K218 PolarHBondContact O-N 3.4Å; T203-L220 HydrophobicContact CG2-CD2 3.63Å; T203-Y228 HydrophobicContact CG2-CE1 3.95Å
204	F	98.6	Very high	97.5	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.8	180	-56.2	-78.3	0	0	0	111.4	I166 I191 S200 V214 V215 L216 L220 Y228 V230 V253	I166-F204 HydrophobicContact CD1-CD1 4.14Å; I166-F204 HydrophobicContact CD1-CE1 4.28Å; I166-F204 HydrophobicContact CG1-CD1 4.1Å; I166-F204 HydrophobicContact CG1-CE1 4.19Å; I191-F204 HydrophobicContact CD1-CB 4.01Å; S200-F204 WeakPolarHBondContact O-CD2 3.49Å; S200-F204 PolarHBondContact O-N 2.69Å; F204-V214 HydrophobicContact CB-CG1 3.75Å; F204-V214 HydrophobicContact CD1-CG1 4.23Å; F204-V214 HydrophobicContact CG-CG1 4.31Å; F204-V215 WeakPolarHBondContact CA-O 3.3Å; F204-L216 HydrophobicContact CD1-CD1 4.1Å; F204-L216 HydrophobicContact CE1-CD1 3.7Å; F204-L216 HydrophobicContact CZ-CD1 4.41Å; F204-L220 HydrophobicContact CZ-CD2 4.41Å; F204-Y228 AromaticContact CE2-CD1 3.82Å; F204-Y228 HydrophobicContact CE2-CD1 3.82Å; F204-Y228 HydrophobicContact CE2-CD2 4.01Å; F204-Y228 HydrophobicContact CE2-CE1 4.46Å; F204-Y228 AromaticContact CE2-CG 3.56Å; F204-Y228 HydrophobicContact CE2-CG 3.56Å; F204-Y228 HydrophobicContact CZ-CD2 4.18Å; F204-Y228 HydrophobicContact CZ-CG 4.19Å; F204-V230 HydrophobicContact CB-CG2 4.41Å; F204-V230 HydrophobicContact CD2-CG2 3.48Å; F204-V230 VanDerWaalsContact CD2-CG2 3.48Å; F204-V230 HydrophobicContact CE2-CG2 4.01Å; F204-V230 HydrophobicContact CG-CG2 4.1Å; F204-V253 HydrophobicContact CE1-CG1 4.11Å; F204-V253 HydrophobicContact CE1-CG2 4.46Å; F204-V253 HydrophobicContact CE2-CB 4.45Å; F204-V253 HydrophobicContact CE2-CG2 4.43Å; F204-V253 HydrophobicContact CZ-CB 4.03Å; F204-V253 HydrophobicContact CZ-CG1 3.79Å; F204-V253 HydrophobicContact CZ-CG2 4.19Å
205	E	98.2	Very high	97.5	Very high	72 Å²	72	53.4 Å²	53.4	34%	0.336	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	158	175.5	65.1	-178.8	-169.3	0	0	112.3	V214 V215 R217	E205-V214 WeakPolarHBondContact O-CA 3.5Å; E205-V215 HydrophobicContact CG-CB 4.27Å; E205-V215 PolarHBondContact N-O 3.31Å; E205-V215 PolarHBondContact O-N 3.44Å; E205-R217 HydrophobicContact CB-CB 4.48Å; E205-R217 HydrophobicContact CG-CB 4.12Å; E205-R217 HydrophobicContact CG-CG 4.38Å; E205-R217 VanDerWaalsContact OE2-CD 3.3Å; E205-R217 WeakPolarHBondContact OE2-CD 3.38Å; E205-R217 IonicContact OE2-NE 2.79Å
206	I	98.4	Very high	97.6	Very high	19 Å²	19	49 Å²	49	10%	0.097	26%	0.264	C	S	.	.			trans	-113	97.5	168.2	-65.4	173.8	0	0	0	106.7	I191 L208 V214 I232	I191-I206 HydrophobicContact CD1-CD1 4.3Å; I191-I206 HydrophobicContact CD1-CG1 3.88Å; I191-I206 HydrophobicContact CG1-CD1 3.79Å; I191-I206 HydrophobicContact CG1-CG1 3.89Å; I206-L208 VanDerWaalsContact C-N 3.31Å; I206-L208 WeakPolarHBondContact CG2-O 3.44Å; I206-L208 PolarHBondContact O-N 3.28Å; I206-V214 HydrophobicContact CD1-CG2 4.13Å; I206-V214 HydrophobicContact CG1-CG2 3.87Å; I206-I232 HydrophobicContact CD1-CD1 4.49Å; I206-I232 HydrophobicContact CD1-CG2 4.07Å
207	P	97.5	Very high	97.7	Very high	79 Å²	79	46.4 Å²	46.4	51%	0.513	25%	0.246	S	C	.	.	S	Bend	trans	-73	-25.6	-177.4	27.3	-33.1	0	0	0	112.6	V215	P207-V215 HydrophobicContact CG-CB 4.33Å; P207-V215 HydrophobicContact CG-CG2 3.68Å
208	L	97.1	Very high	97.7	Very high	113 Å²	113	50.7 Å²	50.7	59%	0.592	27%	0.265	S	S	*	.			trans	-120.6	97.3	178	-66.6	175.8	0	0	0	110	I206 L210 T211 G212	I206-L208 VanDerWaalsContact C-N 3.31Å; I206-L208 WeakPolarHBondContact CG2-O 3.44Å; I206-L208 PolarHBondContact O-N 3.28Å; L208-L210 PolarHBondContact O-N 2.92Å; L208-L210 VanDerWaalsContact O-N 3.15Å; L208-T211 HydrophobicContact CB-CG2 4.35Å; L208-T211 PolarHBondContact O-N 2.99Å; L208-T211 VanDerWaalsContact O-N 3.11Å; L208-T211 PolarHBondContact O-OG1 3.11Å; L208-T211 VanDerWaalsContact O-OG1 3.11Å; L208-G212 PolarHBondContact O-N 3.38Å
209	M	97	Very high	97.7	Very high	93 Å²	93	56 Å²	56	46%	0.458	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.7	-174.8	-61.6	177.3	-179.3	0	0	113.6	E188 Y189 V190	E188-M209 HydrophobicContact CB-CB 4.23Å; E188-M209 HydrophobicContact CG-CB 4.29Å; Y189-M209 WeakPolarHBondContact CD2-O 3.49Å; Y189-M209 PolarHBondContact N-O 3.29Å; Y189-M209 WeakPolarHBondContact O-CG 3.27Å; V190-M209 HydrophobicContact CG2-CE 4.41Å; V190-M209 HydrophobicContact CG2-SD 4.22Å
210	L	96.4	Very high	97.8	Very high	117 Å²	117	53.2 Å²	53.2	61%	0.613	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-20.7	-180	-62.4	178.1	0	0	0	113.8	E188 L208	E188-L210 HydrophobicContact CG-CD2 4.07Å; L208-L210 PolarHBondContact O-N 2.92Å; L208-L210 VanDerWaalsContact O-N 3.15Å
211	T	96.3	Very high	97.8	Very high	55 Å²	55	55.2 Å²	55.2	34%	0.337	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-30.1	178.4	66.5	0	0	0	0	112	L208 N213	L208-T211 HydrophobicContact CB-CG2 4.35Å; L208-T211 PolarHBondContact O-N 2.99Å; L208-T211 VanDerWaalsContact O-N 3.11Å; L208-T211 PolarHBondContact O-OG1 3.11Å; L208-T211 VanDerWaalsContact O-OG1 3.11Å; T211-N213 PolarHBondContact O-N 3.47Å; T211-N213 PolarHBondContact OG1-N 3.26Å
212	G	96.5	Very high	97.8	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.01	27%	0.268	C	S	.	.			trans	68.8	12.6	-174.3	0	0	0	0	0	113.8	F170 Y189 L208 V214	F170-G212 VanDerWaalsContact CD2-O 3.26Å; F170-G212 WeakPolarHBondContact CD2-O 3.4Å; Y189-G212 VanDerWaalsContact CD2-CA 3.42Å; L208-G212 PolarHBondContact O-N 3.38Å; G212-V214 PolarHBondContact O-N 2.87Å
213	N	97.9	Very high	97.8	Very high	44 Å²	44	54.9 Å²	54.9	24%	0.235	26%	0.263	C	S	.	.			trans	-65.3	125.2	176.4	-70.1	-8.8	0	0	0	109.7	T165 F167 T211	T165-N213 HydrophobicContact CG2-CB 4.06Å; F167-N213 WeakPolarHBondContact O-CA 3.29Å; T211-N213 PolarHBondContact O-N 3.47Å; T211-N213 PolarHBondContact OG1-N 3.26Å
214	V	98.4	Very high	97.7	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.6	-179.8	-175.5	0	0	0	0	109.3	I166 F167 I191 F204 E205 I206 G212 I232 L251	I166-V214 HydrophobicContact CD1-CB 3.86Å; I166-V214 HydrophobicContact CD1-CG1 3.7Å; I166-V214 HydrophobicContact CG1-CG1 4.34Å; I166-V214 PolarHBondContact N-O 3.37Å; F167-V214 HydrophobicContact CB-CB 4.12Å; F167-V214 HydrophobicContact CB-CG2 4.46Å; F167-V214 HydrophobicContact CD1-CG2 4.05Å; F167-V214 PolarHBondContact N-O 2.7Å; F167-V214 PolarHBondContact O-N 3.21Å; I191-V214 HydrophobicContact CD1-CG1 4.14Å; F204-V214 HydrophobicContact CB-CG1 3.75Å; F204-V214 HydrophobicContact CD1-CG1 4.23Å; F204-V214 HydrophobicContact CG-CG1 4.31Å; E205-V214 WeakPolarHBondContact O-CA 3.5Å; I206-V214 HydrophobicContact CD1-CG2 4.13Å; I206-V214 HydrophobicContact CG1-CG2 3.87Å; G212-V214 PolarHBondContact O-N 2.87Å; V214-I232 HydrophobicContact CG2-CD1 3.92Å; V214-L251 HydrophobicContact CB-CD2 4.37Å; V214-L251 HydrophobicContact CG2-CD2 3.9Å
215	V	98.5	Very high	97.6	Very high	10 Å²	10	62.7 Å²	62.7	6%	0.061	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.9	-176.8	177.1	0	0	0	0	109.7	G163 T164 F204 E205 P207 R217	G163-V215 WeakPolarHBondContact O-CG1 3.37Å; T164-V215 WeakPolarHBondContact O-CA 3.33Å; F204-V215 WeakPolarHBondContact CA-O 3.3Å; E205-V215 HydrophobicContact CG-CB 4.27Å; E205-V215 PolarHBondContact N-O 3.31Å; E205-V215 PolarHBondContact O-N 3.44Å; P207-V215 HydrophobicContact CG-CB 4.33Å; P207-V215 HydrophobicContact CG-CG2 3.68Å; V215-R217 PolarHBondContact O-N 2.83Å
216	L	98.6	Very high	97.6	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	121.7	175	-174.8	66.5	0	0	0	110.6	T160 G163 T164 I166 T203 F204 K218 L220	T160-L216 HydrophobicContact CG2-CD2 4.05Å; T160-L216 VanDerWaalsContact O-CD2 3.28Å; T160-L216 WeakPolarHBondContact O-CD2 3.4Å; G163-L216 PolarHBondContact N-O 3.33Å; T164-L216 PolarHBondContact O-N 3.44Å; I166-L216 HydrophobicContact CG2-CB 4.04Å; T203-L216 HydrophobicContact CG2-CD1 4.2Å; F204-L216 HydrophobicContact CD1-CD1 4.1Å; F204-L216 HydrophobicContact CE1-CD1 3.7Å; F204-L216 HydrophobicContact CZ-CD1 4.41Å; L216-K218 WeakPolarHBondContact CD1-O 3.43Å; L216-K218 VanDerWaalsContact CG-O 3.28Å; L216-K218 WeakPolarHBondContact CG-O 3.47Å; L216-L220 HydrophobicContact CD1-CD1 3.97Å; L216-L220 HydrophobicContact CD1-CD2 3.89Å; L216-L220 HydrophobicContact CD1-CG 3.8Å; L216-L220 HydrophobicContact CD2-CD1 4.24Å; L216-L220 HydrophobicContact CD2-CG 4.24Å
217	R	98.3	Very high	97.6	Very high	124 Å²	124	66.5 Å²	66.5	47%	0.468	32%	0.32	S	S	.	.			trans	-102.8	-30.3	-176.2	-169.6	-178.7	177.9	-161.7	-2.7	113.7	V162 T203 E205 V215	V162-R217 VanDerWaalsContact CG1-O 3.24Å; V162-R217 WeakPolarHBondContact CG1-O 3.23Å; T203-R217 WeakPolarHBondContact O-CA 3.48Å; T203-R217 WeakPolarHBondContact O-CB 3.41Å; T203-R217 PolarHBondContact O-N 3.16Å; E205-R217 HydrophobicContact CB-CB 4.48Å; E205-R217 HydrophobicContact CG-CB 4.12Å; E205-R217 HydrophobicContact CG-CG 4.38Å; E205-R217 VanDerWaalsContact OE2-CD 3.3Å; E205-R217 WeakPolarHBondContact OE2-CD 3.38Å; E205-R217 IonicContact OE2-NE 2.79Å; V215-R217 PolarHBondContact O-N 2.83Å
218	K	98	Very high	97.7	Very high	96 Å²	96	63.6 Å²	63.6	42%	0.417	30%	0.298	S	S	.	.	S	Bend	trans	-122.6	149.6	175.1	-70.4	-178.1	-177.7	173.9	0	110.3	D202 T203 L216	D202-K218 WeakPolarHBondContact O-CD 3.39Å; D202-K218 WeakPolarHBondContact O-CE 2.98Å; D202-K218 WeakPolarHBondContact O-CG 3.38Å; D202-K218 IonicContact OD2-NZ 3.57Å; D202-K218 PolarHBondContact OD2-NZ 3.14Å; T203-K218 HydrophobicContact CG2-CB 4.38Å; T203-K218 PolarHBondContact O-N 3.4Å; L216-K218 WeakPolarHBondContact CD1-O 3.43Å; L216-K218 VanDerWaalsContact CG-O 3.28Å; L216-K218 WeakPolarHBondContact CG-O 3.47Å
219	R	98	Very high	97.7	Very high	175 Å²	175	62.6 Å²	62.6	66%	0.66	29%	0.287	S	S	*	.			trans	-63.3	139.2	173.2	-175.3	176.5	174.7	-178	-4.1	109	V162 D260	V162-R219 HydrophobicContact CG2-CB 4.29Å; R219-D260 IonicContact NH2-OD2 2.79Å
220	L	98.2	Very high	97.8	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	27%	0.265	C	S	.	.			trans	-89	158.3	177.8	-60.2	172.7	0	0	0	110	V156 E158 T203 F204 L216 Y228 V255	V156-L220 HydrophobicContact CB-CD1 4.09Å; V156-L220 HydrophobicContact CG1-CD1 3.65Å; E158-L220 HydrophobicContact CB-CB 4.08Å; T203-L220 HydrophobicContact CG2-CD2 3.63Å; F204-L220 HydrophobicContact CZ-CD2 4.41Å; L216-L220 HydrophobicContact CD1-CD1 3.97Å; L216-L220 HydrophobicContact CD1-CD2 3.89Å; L216-L220 HydrophobicContact CD1-CG 3.8Å; L216-L220 HydrophobicContact CD2-CD1 4.24Å; L216-L220 HydrophobicContact CD2-CG 4.24Å; L220-Y228 HydrophobicContact CD2-CE2 3.88Å; L220-V255 HydrophobicContact CB-CG1 4.28Å; L220-V255 HydrophobicContact CD1-CG1 4.27Å; L220-V255 HydrophobicContact CD1-CG2 4.07Å; L220-V255 HydrophobicContact CD2-CG2 4.28Å
221	N	97.9	Very high	97.9	Very high	42 Å²	42	54.4 Å²	54.4	23%	0.225	25%	0.246	C	C	.	.			trans	-146.1	122.1	168.1	174.2	-90.6	0	0	0	108.2	E158 E223 D224 K225	E158-N221 WeakPolarHBondContact OE2-CA 3.44Å; N221-E223 VanDerWaalsContact C-N 3.34Å; N221-E223 PolarHBondContact ND2-OE2 2.85Å; N221-E223 WeakPolarHBondContact OD1-CA 3.14Å; N221-E223 WeakPolarHBondContact OD1-CB 3.28Å; N221-E223 PolarHBondContact OD1-N 2.88Å; N221-E223 VanDerWaalsContact OD1-N 3.14Å; N221-E223 PolarHBondContact OD1-OE2 2.91Å; N221-D224 HydrophobicContact CB-CB 4.25Å; N221-D224 PolarHBondContact O-N 3.15Å; N221-D224 WeakPolarHBondContact OD1-CB 3.46Å; N221-D224 PolarHBondContact OD1-N 3.27Å; N221-K225 PolarHBondContact O-N 3.37Å; N221-K225 VanDerWaalsContact O-N 3.11Å
222	Y	98.3	Very high	98	Very high	45 Å²	45	51.8 Å²	51.8	18%	0.176	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-34.6	-174.6	-174.6	-97	0	0	0	111.7	E158 D224 T226 V255 D257 N312	E158-Y222 WeakPolarHBondContact OE1-CB 3.41Å; E158-Y222 WeakPolarHBondContact OE2-CB 3.25Å; E158-Y222 PolarHBondContact OE2-N 2.91Å; Y222-D224 PolarHBondContact O-N 3.04Å; Y222-T226 HydrophobicContact CD1-CG2 4.24Å; Y222-T226 HydrophobicContact CD2-CG2 3.66Å; Y222-T226 HydrophobicContact CE1-CG2 4.09Å; Y222-T226 HydrophobicContact CE2-CG2 3.48Å; Y222-T226 VanDerWaalsContact CE2-CG2 3.48Å; Y222-T226 HydrophobicContact CG-CG2 4.02Å; Y222-T226 WeakPolarHBondContact O-CG2 3.27Å; Y222-V255 HydrophobicContact CD2-CB 4.31Å; Y222-V255 HydrophobicContact CD2-CG1 4.17Å; Y222-V255 WeakPolarHBondContact CD2-O 3.45Å; Y222-V255 VanDerWaalsContact CE2-O 3.24Å; Y222-V255 WeakPolarHBondContact CE2-O 3.28Å; Y222-D257 HydrophobicContact CD1-CB 3.74Å; Y222-D257 VanDerWaalsContact CD1-CG 3.48Å; Y222-D257 HydrophobicContact CD2-CB 3.91Å; Y222-D257 HydrophobicContact CE1-CB 3.75Å; Y222-D257 WeakPolarHBondContact CE1-OD2 3.4Å; Y222-D257 HydrophobicContact CE2-CB 3.93Å; Y222-D257 HydrophobicContact CG-CB 3.84Å; Y222-N312 HydrophobicContact CE1-CB 4.33Å; Y222-N312 PolarHBondContact OH-ND2 3.36Å
223	E	96.7	Very high	98.1	Very high	56 Å²	56	53.7 Å²	53.7	26%	0.262	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-15	178.8	-61.9	59.5	-108.2	0	0	112.8	N221 L261 R275	N221-E223 VanDerWaalsContact C-N 3.34Å; N221-E223 PolarHBondContact ND2-OE2 2.85Å; N221-E223 WeakPolarHBondContact OD1-CA 3.14Å; N221-E223 WeakPolarHBondContact OD1-CB 3.28Å; N221-E223 PolarHBondContact OD1-N 2.88Å; N221-E223 VanDerWaalsContact OD1-N 3.14Å; N221-E223 PolarHBondContact OD1-OE2 2.91Å; E223-L261 HydrophobicContact CG-CD1 4.11Å; E223-R275 VanDerWaalsContact CB-NH1 3.27Å; E223-R275 PolarHBondContact O-NH2 2.87Å
224	D	96.1	Very high	98.1	Very high	113 Å²	113	51.6 Å²	51.6	60%	0.604	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-50.6	178.4	-73.1	-12.3	0	0	0	112.1	N221 Y222 R275	N221-D224 HydrophobicContact CB-CB 4.25Å; N221-D224 PolarHBondContact O-N 3.15Å; N221-D224 WeakPolarHBondContact OD1-CB 3.46Å; N221-D224 PolarHBondContact OD1-N 3.27Å; Y222-D224 PolarHBondContact O-N 3.04Å; D224-R275 IonicContact OD1-CZ 2.84Å; D224-R275 IonicContact OD1-NH1 2.77Å; D224-R275 PolarHBondContact OD1-NH1 2.81Å; D224-R275 IonicContact OD1-NH2 3.76Å; D224-R275 PolarHBondContact OD1-NH2 2.87Å
225	K	97.4	Very high	98	Very high	59 Å²	59	52.3 Å²	52.3	26%	0.257	23%	0.231	S	C	.	.			trans	-155.8	118	-177	-174.6	167	163	71.8	0	112.4	D197 N221 R227 Y228	D197-K225 WeakPolarHBondContact OD1-CE 3.29Å; D197-K225 IonicContact OD1-NZ 2.83Å; D197-K225 PolarHBondContact OD1-NZ 3.35Å; D197-K225 WeakPolarHBondContact OD2-CE 3.41Å; D197-K225 IonicContact OD2-NZ 3.12Å; D197-K225 PolarHBondContact OD2-NZ 3.27Å; N221-K225 PolarHBondContact O-N 3.37Å; N221-K225 VanDerWaalsContact O-N 3.11Å; K225-R227 VanDerWaalsContact CE-O 3.24Å; K225-R227 WeakPolarHBondContact CE-O 3.23Å; K225-R227 PolarHBondContact NZ-O 3.37Å; K225-Y228 HydrophobicContact CB-CE2 4.29Å; K225-Y228 HydrophobicContact CD-CD1 4.07Å; K225-Y228 HydrophobicContact CD-CE1 3.6Å; K225-Y228 HydrophobicContact CD-CE2 4.11Å; K225-Y228 HydrophobicContact CG-CD2 4.38Å; K225-Y228 HydrophobicContact CG-CE1 4.31Å; K225-Y228 HydrophobicContact CG-CE2 3.89Å
226	T	98.1	Very high	98	Very high	66 Å²	66	51.8 Å²	51.8	41%	0.405	23%	0.228	S	C	.	.	S	Bend	trans	-95.7	-12.4	-175.4	59.2	0	0	0	0	114.8	Y222 V255	Y222-T226 HydrophobicContact CD1-CG2 4.24Å; Y222-T226 HydrophobicContact CD2-CG2 3.66Å; Y222-T226 HydrophobicContact CE1-CG2 4.09Å; Y222-T226 HydrophobicContact CE2-CG2 3.48Å; Y222-T226 VanDerWaalsContact CE2-CG2 3.48Å; Y222-T226 HydrophobicContact CG-CG2 4.02Å; Y222-T226 WeakPolarHBondContact O-CG2 3.27Å; T226-V255 PolarHBondContact O-N 2.94Å
227	R	98.4	Very high	97.9	Very high	105 Å²	105	55.9 Å²	55.9	40%	0.396	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	134.8	-177.7	178.8	169.9	-70.3	-175.9	-7.2	112	K225 Y229 T252 V253 D254	K225-R227 VanDerWaalsContact CE-O 3.24Å; K225-R227 WeakPolarHBondContact CE-O 3.23Å; K225-R227 PolarHBondContact NZ-O 3.37Å; R227-Y229 VanDerWaalsContact CD-CZ 3.48Å; R227-Y229 WeakPolarHBondContact CD-OH 3.49Å; R227-Y229 HydrophobicContact CG-CE1 4.31Å; R227-Y229 HydrophobicContact CG-CE2 4.23Å; R227-T252 HydrophobicContact CG-CG2 4.08Å; R227-V253 CarbonylContact C-O 3.6Å; R227-V253 WeakPolarHBondContact CA-O 3.22Å; R227-D254 WeakPolarHBondContact CG-OD1 3Å; R227-D254 IonicContact CZ-OD1 2.84Å; R227-D254 VanDerWaalsContact CZ-OD1 3.28Å; R227-D254 IonicContact CZ-OD2 3.72Å; R227-D254 IonicContact NE-OD1 2.69Å; R227-D254 PolarHBondContact NE-OD1 3.35Å; R227-D254 IonicContact NE-OD2 3.42Å; R227-D254 VanDerWaalsContact NH2-CG 3.34Å; R227-D254 IonicContact NH2-OD1 3.15Å; R227-D254 PolarHBondContact NH2-OD1 2.84Å; R227-D254 VanDerWaalsContact NH2-OD1 3.08Å; R227-D254 IonicContact NH2-OD2 3.82Å; R227-D254 PolarHBondContact NH2-OD2 2.83Å
228	Y	98.6	Very high	97.8	Very high	18 Å²	18	50 Å²	50	7%	0.071	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	143.5	174.7	-66.5	-101	0	0	0	112	D197 T203 F204 L220 K225 T252 V253 V255	D197-Y228 WeakPolarHBondContact OD2-CA 3.43Å; T203-Y228 HydrophobicContact CG2-CE1 3.95Å; F204-Y228 AromaticContact CE2-CD1 3.82Å; F204-Y228 HydrophobicContact CE2-CD1 3.82Å; F204-Y228 HydrophobicContact CE2-CD2 4.01Å; F204-Y228 HydrophobicContact CE2-CE1 4.46Å; F204-Y228 AromaticContact CE2-CG 3.56Å; F204-Y228 HydrophobicContact CE2-CG 3.56Å; F204-Y228 HydrophobicContact CZ-CD2 4.18Å; F204-Y228 HydrophobicContact CZ-CG 4.19Å; L220-Y228 HydrophobicContact CD2-CE2 3.88Å; K225-Y228 HydrophobicContact CB-CE2 4.29Å; K225-Y228 HydrophobicContact CD-CD1 4.07Å; K225-Y228 HydrophobicContact CD-CE1 3.6Å; K225-Y228 HydrophobicContact CD-CE2 4.11Å; K225-Y228 HydrophobicContact CG-CD2 4.38Å; K225-Y228 HydrophobicContact CG-CE1 4.31Å; K225-Y228 HydrophobicContact CG-CE2 3.89Å; Y228-T252 WeakPolarHBondContact O-CA 3.38Å; Y228-V253 PolarHBondContact N-O 2.96Å; Y228-V253 PolarHBondContact O-N 3.12Å; Y228-V255 HydrophobicContact CD2-CG2 4.12Å; Y228-V255 HydrophobicContact CE2-CG2 3.88Å
229	Y	98.6	Very high	97.6	Very high	91 Å²	91	54 Å²	54	36%	0.357	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	100.6	173.2	-60.6	-72.6	0	0	0	109.8	N194 D197 S200 R227 T250 T252	N194-Y229 PolarHBondContact ND2-O 3Å; D197-Y229 PolarHBondContact OD2-N 2.91Å; S200-Y229 WeakPolarHBondContact CB-O 3.18Å; S200-Y229 PolarHBondContact OG-O 2.97Å; R227-Y229 VanDerWaalsContact CD-CZ 3.48Å; R227-Y229 WeakPolarHBondContact CD-OH 3.49Å; R227-Y229 HydrophobicContact CG-CE1 4.31Å; R227-Y229 HydrophobicContact CG-CE2 4.23Å; Y229-T250 HydrophobicContact CD1-CG2 4.23Å; Y229-T252 HydrophobicContact CD1-CG2 4.21Å; Y229-T252 HydrophobicContact CE1-CG2 3.93Å
230	V	98.5	Very high	97.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	112.8	-177.1	-172	0	0	0	0	108.9	I191 F204 I232 L251 V253	I191-V230 HydrophobicContact CB-CG1 4.43Å; I191-V230 HydrophobicContact CD1-CG1 3.72Å; I191-V230 HydrophobicContact CG1-CG1 3.78Å; I191-V230 HydrophobicContact CG2-CG1 3.81Å; F204-V230 HydrophobicContact CB-CG2 4.41Å; F204-V230 HydrophobicContact CD2-CG2 3.48Å; F204-V230 VanDerWaalsContact CD2-CG2 3.48Å; F204-V230 HydrophobicContact CE2-CG2 4.01Å; F204-V230 HydrophobicContact CG-CG2 4.1Å; V230-I232 HydrophobicContact CG1-CD1 4.37Å; V230-I232 HydrophobicContact CG1-CG1 4.02Å; V230-L251 HydrophobicContact CB-CB 4.25Å; V230-L251 PolarHBondContact N-O 2.88Å; V230-L251 PolarHBondContact O-N 2.83Å; V230-V253 HydrophobicContact CG2-CG2 4.15Å
231	I	98.4	Very high	97.2	Very high	39 Å²	39	54.6 Å²	54.6	20%	0.2	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122.7	173.9	-62	177.6	0	0	0	108.2	I191 Q192 N194 T248	I191-I231 WeakPolarHBondContact CA-O 3.38Å; Q192-I231 HydrophobicContact CB-CB 4.21Å; Q192-I231 HydrophobicContact CB-CG2 3.93Å; Q192-I231 HydrophobicContact CG-CG2 4.44Å; Q192-I231 PolarHBondContact N-O 3.24Å; N194-I231 HydrophobicContact CB-CD1 3.78Å; N194-I231 HydrophobicContact CB-CG1 3.98Å; I231-T248 HydrophobicContact CG2-CG2 4.22Å
232	I	98.5	Very high	97.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.3	179.8	-60.2	174.2	0	0	0	108.3	F170 Y189 I191 I206 V214 V230 T248 T249 L251	F170-I232 HydrophobicContact CE2-CD1 3.71Å; F170-I232 HydrophobicContact CE2-CG2 3.86Å; F170-I232 HydrophobicContact CZ-CB 4.34Å; F170-I232 HydrophobicContact CZ-CD1 3.65Å; F170-I232 HydrophobicContact CZ-CG2 4.02Å; Y189-I232 HydrophobicContact CD1-CG2 4.12Å; I191-I232 HydrophobicContact CG1-CG1 4.14Å; I206-I232 HydrophobicContact CD1-CD1 4.49Å; I206-I232 HydrophobicContact CD1-CG2 4.07Å; V214-I232 HydrophobicContact CG2-CD1 3.92Å; V230-I232 HydrophobicContact CG1-CD1 4.37Å; V230-I232 HydrophobicContact CG1-CG1 4.02Å; I232-T248 CarbonylContact O-C 3.52Å; I232-T248 VanDerWaalsContact O-CA 3.29Å; I232-T248 WeakPolarHBondContact O-CA 3.37Å; I232-T249 HydrophobicContact CB-CG2 4.26Å; I232-T249 PolarHBondContact N-O 3.48Å; I232-T249 PolarHBondContact O-N 2.87Å; I232-L251 HydrophobicContact CD1-CB 3.75Å; I232-L251 HydrophobicContact CD1-CD2 3.98Å
233	Q	98.2	Very high	96.9	Very high	41 Å²	41	62 Å²	62	19%	0.192	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.8	175	-176	179.8	59.3	0	0	109.7	Y189 V190 Q192 T246 T247 T248	Y189-Q233 CarbonylContact C-O 3.52Å; Y189-Q233 WeakPolarHBondContact CA-O 3.3Å; V190-Q233 PolarHBondContact N-O 2.8Å; V190-Q233 PolarHBondContact O-N 2.86Å; Q192-Q233 HydrophobicContact CG-CB 3.77Å; Q233-T246 HydrophobicContact CG-CG2 4.31Å; Q233-T246 PolarHBondContact NE2-OG1 3.33Å; Q233-T247 CarbonylContact C-O 3.56Å; Q233-T247 WeakPolarHBondContact CA-O 3.15Å; Q233-T248 HydrophobicContact CB-CG2 3.99Å; Q233-T248 HydrophobicContact CG-CG2 4.15Å
234	A	98.2	Very high	96.9	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.6	162	0	0	0	0	0	108.3	P145 F147 A176 I187 E188 Y189 T246 T247	P145-A234 HydrophobicContact CB-CB 3.97Å; F147-A234 HydrophobicContact CE2-CB 3.81Å; F147-A234 HydrophobicContact CZ-CB 3.67Å; A176-A234 HydrophobicContact CB-CB 3.45Å; A176-A234 VanDerWaalsContact CB-CB 3.45Å; I187-A234 HydrophobicContact CG2-CB 3.85Å; E188-A234 WeakPolarHBondContact O-CA 3.48Å; Y189-A234 HydrophobicContact CD1-CB 4.16Å; Y189-A234 HydrophobicContact CE1-CB 4.08Å; A234-T246 CarbonylContact O-C 3.52Å; A234-T246 VanDerWaalsContact O-CA 3.24Å; A234-T246 WeakPolarHBondContact O-CA 3.08Å; A234-T247 PolarHBondContact N-O 3.32Å; A234-T247 PolarHBondContact O-N 3.13Å
235	N	97.1	Very high	97	Very high	14 Å²	14	61.9 Å²	61.9	8%	0.075	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	141.5	172.1	69.7	112.5	0	0	0	109.7	E188 R244 R245 T246	E188-N235 VanDerWaalsContact CB-ND2 3.31Å; E188-N235 WeakPolarHBondContact CB-ND2 3.22Å; E188-N235 PolarHBondContact N-O 2.82Å; E188-N235 PolarHBondContact O-N 3.26Å; E188-N235 PolarHBondContact O-ND2 2.95Å; N235-R244 PolarHBondContact OD1-NH1 3.15Å; N235-R245 WeakPolarHBondContact CA-O 3.43Å; N235-T246 HydrophobicContact CB-CG2 3.78Å
236	D	97.4	Very high	97	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	173.3	168	65.9	55.5	0	0	0	111.4	N141 P145 N184 Q186 A238 R244 R245	N141-D236 VanDerWaalsContact ND2-CG 3.3Å; N141-D236 PolarHBondContact ND2-OD1 3.03Å; N141-D236 PolarHBondContact ND2-OD2 3.3Å; N141-D236 PolarHBondContact OD1-OD2 2.99Å; P145-D236 HydrophobicContact CG-CB 4.31Å; N184-D236 WeakPolarHBondContact O-CB 3.18Å; Q186-D236 CarbonylContact O-C 3.5Å; Q186-D236 VanDerWaalsContact O-CA 3.23Å; Q186-D236 WeakPolarHBondContact O-CA 3.38Å; D236-A238 VanDerWaalsContact OD1-CB 3.24Å; D236-A238 WeakPolarHBondContact OD1-CB 2.98Å; D236-A238 PolarHBondContact OD1-N 2.84Å; D236-R244 WeakPolarHBondContact O-CD 3.34Å; D236-R244 VanDerWaalsContact OD1-CA 3.28Å; D236-R244 WeakPolarHBondContact OD1-CA 3.16Å; D236-R244 WeakPolarHBondContact OD1-CG 3.3Å; D236-R245 PolarHBondContact N-O 3.22Å; D236-R245 WeakPolarHBondContact OD2-CA 3.37Å; D236-R245 VanDerWaalsContact OD2-CB 3.26Å; D236-R245 WeakPolarHBondContact OD2-CB 3.06Å; D236-R245 PolarHBondContact OD2-N 3.2Å
237	R	96.9	Very high	97	Very high	85 Å²	85	61.3 Å²	61.3	32%	0.321	29%	0.287	S	S	.	.			trans	-109.2	34.6	179.1	-58.6	177.4	76.9	-125.5	-8	112.3	P183 Q186 E188 Q239	P183-R237 HydrophobicContact CB-CB 4.28Å; P183-R237 VanDerWaalsContact CB-O 3.24Å; P183-R237 WeakPolarHBondContact CB-O 3.48Å; P183-R237 CarbonylContact O-C 3.55Å; P183-R237 VanDerWaalsContact O-CA 3.22Å; P183-R237 WeakPolarHBondContact O-CA 3.2Å; P183-R237 VanDerWaalsContact O-CB 3.26Å; P183-R237 WeakPolarHBondContact O-CB 3.39Å; P183-R237 PolarHBondContact O-N 3.46Å; Q186-R237 HydrophobicContact CB-CB 4.25Å; Q186-R237 HydrophobicContact CB-CG 4.07Å; Q186-R237 WeakPolarHBondContact O-CG 3.33Å; Q186-R237 PolarHBondContact O-N 3.16Å; Q186-R237 VanDerWaalsContact O-N 3.08Å; E188-R237 HydrophobicContact CG-CG 3.77Å; E188-R237 WeakPolarHBondContact OE1-CD 3.29Å; E188-R237 IonicContact OE1-CZ 2.72Å; E188-R237 IonicContact OE1-NE 2.72Å; E188-R237 PolarHBondContact OE1-NE 2.88Å; E188-R237 IonicContact OE1-NH2 3.95Å; R237-Q239 PolarHBondContact O-N 2.97Å
238	A	96.1	Very high	96.9	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.008	29%	0.292	C	S	.	.			trans	-48.1	137.1	173.4	0	0	0	0	0	110.9	N141 N184 D236 N240 E243 R244	N141-A238 HydrophobicContact CB-CB 4.15Å; N184-A238 WeakPolarHBondContact OD1-CA 3.39Å; D236-A238 VanDerWaalsContact OD1-CB 3.24Å; D236-A238 WeakPolarHBondContact OD1-CB 2.98Å; D236-A238 PolarHBondContact OD1-N 2.84Å; A238-N240 PolarHBondContact O-N 3.41Å; A238-E243 HydrophobicContact CB-CB 4.31Å; A238-R244 HydrophobicContact CB-CG 3.93Å; A238-R244 PolarHBondContact O-NE 3.04Å
239	Q	94.6	Very high	96.9	Very high	180 Å²	180	59.7 Å²	59.7	84%	0.841	29%	0.291	S	S	*	.	S	Bend	trans	-63	-35.6	-174.4	-68	-173.4	-4.7	0	0	111.8	R237	R237-Q239 PolarHBondContact O-N 2.97Å
240	N	93.6	Very high	96.9	Very high	66 Å²	66	57.8 Å²	57.8	35%	0.353	29%	0.289	S	S	.	.	S	Bend	trans	-88.2	117.6	172.7	-175.9	-1.8	0	0	0	109.3	A238 N242 E243 R244	A238-N240 PolarHBondContact O-N 3.41Å; N240-N242 PolarHBondContact O-N 3.15Å; N240-N242 VanDerWaalsContact O-N 3.11Å; N240-N242 PolarHBondContact OD1-N 2.97Å; N240-E243 HydrophobicContact CB-CB 4.13Å; N240-E243 HydrophobicContact CB-CG 4.05Å; N240-E243 PolarHBondContact ND2-OE1 3.36Å; N240-E243 PolarHBondContact O-N 2.54Å; N240-R244 PolarHBondContact O-N 2.75Å
241	L	93.8	Very high	96.9	Very high	126 Å²	126	57.8 Å²	57.8	66%	0.66	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.9	-179.2	-65.8	176.7	0	0	0	113.4	E243	L241-E243 VanDerWaalsContact C-N 3.29Å
242	N	95	Very high	96.9	Very high	150 Å²	150	57.1 Å²	57.1	80%	0.802	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-16.1	178.8	-62.2	-34.5	0	0	0	113.2	N240	N240-N242 PolarHBondContact O-N 3.15Å; N240-N242 VanDerWaalsContact O-N 3.11Å; N240-N242 PolarHBondContact OD1-N 2.97Å
243	E	95	Very high	96.9	Very high	92 Å²	92	57.1 Å²	57.1	43%	0.43	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-13.8	176.9	-71.1	169	-152.4	0	0	111.7	N141 A238 N240 L241 R245	N141-E243 PolarHBondContact ND2-O 3.26Å; A238-E243 HydrophobicContact CB-CB 4.31Å; N240-E243 HydrophobicContact CB-CB 4.13Å; N240-E243 HydrophobicContact CB-CG 4.05Å; N240-E243 PolarHBondContact ND2-OE1 3.36Å; N240-E243 PolarHBondContact O-N 2.54Å; L241-E243 VanDerWaalsContact C-N 3.29Å; E243-R245 PolarHBondContact O-N 3Å
244	R	96.2	Very high	96.9	Very high	73 Å²	73	56.2 Å²	56.2	28%	0.275	28%	0.283	S	S	.	.			trans	-57.8	130.6	175.6	-70.9	-169.4	178.6	-156.3	0.4	110.9	E188 N235 D236 A238 N240	E188-R244 IonicContact OE2-CZ 3.73Å; E188-R244 IonicContact OE2-NH1 3.95Å; E188-R244 PolarHBondContact OE2-NH1 3.21Å; E188-R244 IonicContact OE2-NH2 3.49Å; N235-R244 PolarHBondContact OD1-NH1 3.15Å; D236-R244 WeakPolarHBondContact O-CD 3.34Å; D236-R244 VanDerWaalsContact OD1-CA 3.28Å; D236-R244 WeakPolarHBondContact OD1-CA 3.16Å; D236-R244 WeakPolarHBondContact OD1-CG 3.3Å; A238-R244 HydrophobicContact CB-CG 3.93Å; A238-R244 PolarHBondContact O-NE 3.04Å; N240-R244 PolarHBondContact O-N 2.75Å
245	R	97.7	Very high	96.9	Very high	93 Å²	93	56.5 Å²	56.5	35%	0.351	29%	0.285	S	S	.	.			trans	-105.5	152.7	175.9	-67.9	162.9	167.3	-114.2	9.5	109.4	N141 D142 N143 S144 N235 D236 E243	N141-R245 WeakPolarHBondContact O-CD 3.24Å; N141-R245 PolarHBondContact O-NE 3.43Å; D142-R245 VanDerWaalsContact C-CZ 3.43Å; D142-R245 PolarHBondContact O-NH1 2.93Å; D142-R245 PolarHBondContact O-NH2 2.77Å; N143-R245 WeakPolarHBondContact O-CD 3.15Å; S144-R245 WeakPolarHBondContact OG-CB 3.45Å; S144-R245 WeakPolarHBondContact OG-CD 3.37Å; S144-R245 PolarHBondContact OG-NH1 3.13Å; N235-R245 WeakPolarHBondContact CA-O 3.43Å; D236-R245 PolarHBondContact N-O 3.22Å; D236-R245 WeakPolarHBondContact OD2-CA 3.37Å; D236-R245 VanDerWaalsContact OD2-CB 3.26Å; D236-R245 WeakPolarHBondContact OD2-CB 3.06Å; D236-R245 PolarHBondContact OD2-N 3.2Å; E243-R245 PolarHBondContact O-N 3Å
246	T	97.2	Very high	97	Very high	69 Å²	69	59.1 Å²	59.1	42%	0.423	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	144.2	-171.7	69.2	0	0	0	0	111.2	Q233 A234 N235	Q233-T246 HydrophobicContact CG-CG2 4.31Å; Q233-T246 PolarHBondContact NE2-OG1 3.33Å; A234-T246 CarbonylContact O-C 3.52Å; A234-T246 VanDerWaalsContact O-CA 3.24Å; A234-T246 WeakPolarHBondContact O-CA 3.08Å; N235-T246 HydrophobicContact CB-CG2 3.78Å
247	T	97.8	Very high	97	Very high	44 Å²	44	59.4 Å²	59.4	27%	0.27	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147.9	172.7	-59.7	0	0	0	0	108.8	P145 F147 Q233 A234	P145-T247 WeakPolarHBondContact O-CB 2.99Å; P145-T247 PolarHBondContact O-OG1 2.97Å; F147-T247 HydrophobicContact CD2-CG2 3.96Å; F147-T247 HydrophobicContact CE2-CG2 4.41Å; Q233-T247 CarbonylContact C-O 3.56Å; Q233-T247 WeakPolarHBondContact CA-O 3.15Å; A234-T247 PolarHBondContact N-O 3.32Å; A234-T247 PolarHBondContact O-N 3.13Å
248	T	98	Very high	97	Very high	83 Å²	83	55.5 Å²	55.5	51%	0.509	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	150.8	179.4	54.2	0	0	0	0	111.6	I231 I232 Q233	I231-T248 HydrophobicContact CG2-CG2 4.22Å; I232-T248 CarbonylContact O-C 3.52Å; I232-T248 VanDerWaalsContact O-CA 3.29Å; I232-T248 WeakPolarHBondContact O-CA 3.37Å; Q233-T248 HydrophobicContact CB-CG2 3.99Å; Q233-T248 HydrophobicContact CG-CG2 4.15Å
249	T	98.2	Very high	97.1	Very high	6 Å²	6	57.1 Å²	57.1	4%	0.037	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	168	166.3	-169.7	0	0	0	0	109.2	F147 E150 Y152 F170 I232	F147-T249 HydrophobicContact CD1-CG2 3.75Å; F147-T249 HydrophobicContact CD2-CG2 4.05Å; F147-T249 HydrophobicContact CE1-CG2 3.45Å; F147-T249 VanDerWaalsContact CE1-CG2 3.45Å; F147-T249 HydrophobicContact CE2-CG2 3.77Å; F147-T249 HydrophobicContact CG-CG2 4.04Å; F147-T249 HydrophobicContact CZ-CG2 3.46Å; F147-T249 VanDerWaalsContact CZ-CG2 3.46Å; E150-T249 PolarHBondContact O-OG1 3.17Å; Y152-T249 HydrophobicContact CD2-CG2 3.75Å; Y152-T249 WeakPolarHBondContact CD2-OG1 3.47Å; Y152-T249 HydrophobicContact CE2-CG2 3.87Å; F170-T249 HydrophobicContact CE1-CG2 4.4Å; F170-T249 HydrophobicContact CZ-CG2 4.28Å; I232-T249 HydrophobicContact CB-CG2 4.26Å; I232-T249 PolarHBondContact N-O 3.48Å; I232-T249 PolarHBondContact O-N 2.87Å
250	T	98.3	Very high	97.2	Very high	52 Å²	52	50.3 Å²	50.3	32%	0.319	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.4	174	-57.1	0	0	0	0	109.8	Y152 Y229	Y152-T250 PolarHBondContact N-O 3.2Å; Y229-T250 HydrophobicContact CD1-CG2 4.23Å
251	L	98.6	Very high	97.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	112.7	165	171.4	64.7	0	0	0	108.4	Y152 A154 F167 V214 V230 I232 V253	Y152-L251 WeakPolarHBondContact O-CA 3.48Å; A154-L251 HydrophobicContact CB-CD1 4.11Å; F167-L251 HydrophobicContact CB-CD2 4.17Å; F167-L251 HydrophobicContact CD1-CD2 4Å; F167-L251 HydrophobicContact CD2-CD1 3.83Å; F167-L251 HydrophobicContact CD2-CD2 4.45Å; F167-L251 HydrophobicContact CE1-CD2 4.5Å; F167-L251 HydrophobicContact CE2-CD1 3.82Å; F167-L251 HydrophobicContact CG-CD1 4.19Å; F167-L251 HydrophobicContact CG-CD2 3.97Å; F167-L251 HydrophobicContact CZ-CD1 4.18Å; V214-L251 HydrophobicContact CB-CD2 4.37Å; V214-L251 HydrophobicContact CG2-CD2 3.9Å; V230-L251 HydrophobicContact CB-CB 4.25Å; V230-L251 PolarHBondContact N-O 2.88Å; V230-L251 PolarHBondContact O-N 2.83Å; I232-L251 HydrophobicContact CD1-CB 3.75Å; I232-L251 HydrophobicContact CD1-CD2 3.98Å; L251-V253 HydrophobicContact CD2-CG2 4.07Å; L251-V253 HydrophobicContact CG-CG2 3.85Å
252	T	98.6	Very high	97.5	Very high	25 Å²	25	44 Å²	44	15%	0.153	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.3	171.8	-57.3	0	0	0	0	108.8	Y152 Y153 A154 R227 Y228 Y229	Y152-T252 PolarHBondContact O-N 2.98Å; Y153-T252 WeakPolarHBondContact CA-O 3.3Å; Y153-T252 HydrophobicContact CD2-CG2 4.2Å; Y153-T252 HydrophobicContact CE2-CG2 4.35Å; A154-T252 PolarHBondContact N-O 2.77Å; R227-T252 HydrophobicContact CG-CG2 4.08Å; Y228-T252 WeakPolarHBondContact O-CA 3.38Å; Y229-T252 HydrophobicContact CD1-CG2 4.21Å; Y229-T252 HydrophobicContact CE1-CG2 3.93Å
253	V	98.6	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.2	178.4	-172.2	0	0	0	0	109.2	A154 V156 F204 R227 Y228 V230 L251	A154-V253 WeakPolarHBondContact O-CA 3.42Å; V156-V253 HydrophobicContact CB-CG1 4.34Å; V156-V253 HydrophobicContact CG2-CG1 3.66Å; F204-V253 HydrophobicContact CE1-CG1 4.11Å; F204-V253 HydrophobicContact CE1-CG2 4.46Å; F204-V253 HydrophobicContact CE2-CB 4.45Å; F204-V253 HydrophobicContact CE2-CG2 4.43Å; F204-V253 HydrophobicContact CZ-CB 4.03Å; F204-V253 HydrophobicContact CZ-CG1 3.79Å; F204-V253 HydrophobicContact CZ-CG2 4.19Å; R227-V253 CarbonylContact C-O 3.6Å; R227-V253 WeakPolarHBondContact CA-O 3.22Å; Y228-V253 PolarHBondContact N-O 2.96Å; Y228-V253 PolarHBondContact O-N 3.12Å; V230-V253 HydrophobicContact CG2-CG2 4.15Å; L251-V253 HydrophobicContact CD2-CG2 4.07Å; L251-V253 HydrophobicContact CG-CG2 3.85Å
254	D	98.5	Very high	97.7	Very high	22 Å²	22	34 Å²	34	12%	0.118	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.1	172.1	-76.3	-14.9	0	0	0	110.2	Y153 A154 T155 V156 R227	Y153-D254 HydrophobicContact CE2-CB 4.22Å; Y153-D254 VanDerWaalsContact CE2-OD2 3.23Å; Y153-D254 WeakPolarHBondContact CE2-OD2 3.39Å; Y153-D254 WeakPolarHBondContact OH-CB 3.19Å; Y153-D254 PolarHBondContact OH-OD2 3.12Å; A154-D254 PolarHBondContact O-N 3.4Å; T155-D254 CarbonylContact C-O 3.55Å; T155-D254 VanDerWaalsContact CA-O 3.27Å; T155-D254 WeakPolarHBondContact CA-O 3.33Å; T155-D254 HydrophobicContact CG2-CB 4.42Å; V156-D254 PolarHBondContact N-O 3.17Å; R227-D254 WeakPolarHBondContact CG-OD1 3Å; R227-D254 IonicContact CZ-OD1 2.84Å; R227-D254 VanDerWaalsContact CZ-OD1 3.28Å; R227-D254 IonicContact CZ-OD2 3.72Å; R227-D254 IonicContact NE-OD1 2.69Å; R227-D254 PolarHBondContact NE-OD1 3.35Å; R227-D254 IonicContact NE-OD2 3.42Å; R227-D254 VanDerWaalsContact NH2-CG 3.34Å; R227-D254 IonicContact NH2-OD1 3.15Å; R227-D254 PolarHBondContact NH2-OD1 2.84Å; R227-D254 VanDerWaalsContact NH2-OD1 3.08Å; R227-D254 IonicContact NH2-OD2 3.82Å; R227-D254 PolarHBondContact NH2-OD2 2.83Å
255	V	98.4	Very high	97.8	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.036	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	129.6	173.2	-174.8	0	0	0	0	108.2	V156 E158 L220 Y222 T226 Y228	V156-V255 CarbonylContact O-C 3.54Å; V156-V255 VanDerWaalsContact O-CA 3.24Å; V156-V255 WeakPolarHBondContact O-CA 3.37Å; E158-V255 HydrophobicContact CB-CG1 3.66Å; L220-V255 HydrophobicContact CB-CG1 4.28Å; L220-V255 HydrophobicContact CD1-CG1 4.27Å; L220-V255 HydrophobicContact CD1-CG2 4.07Å; L220-V255 HydrophobicContact CD2-CG2 4.28Å; Y222-V255 HydrophobicContact CD2-CB 4.31Å; Y222-V255 HydrophobicContact CD2-CG1 4.17Å; Y222-V255 WeakPolarHBondContact CD2-O 3.45Å; Y222-V255 VanDerWaalsContact CE2-O 3.24Å; Y222-V255 WeakPolarHBondContact CE2-O 3.28Å; T226-V255 PolarHBondContact O-N 2.94Å; Y228-V255 HydrophobicContact CD2-CG2 4.12Å; Y228-V255 HydrophobicContact CE2-CG2 3.88Å
256	L	98.1	Very high	97.8	Very high	69 Å²	69	28.4 Å²	28.4	36%	0.361	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129.9	171.7	-53	177.8	0	0	0	108.6	T155 V156 E158 G258	T155-L256 HydrophobicContact CG2-CD2 4.29Å; V156-L256 PolarHBondContact O-N 3.22Å; E158-L256 PolarHBondContact N-O 3.5Å; L256-G258 PolarHBondContact O-N 3.23Å
257	D	98.2	Very high	97.8	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.032	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-55.9	124.7	173.2	-162.2	-10.8	0	0	0	109.2	E158 Y222 R311 N312 I313	E158-D257 WeakPolarHBondContact OE1-CA 3.05Å; Y222-D257 HydrophobicContact CD1-CB 3.74Å; Y222-D257 VanDerWaalsContact CD1-CG 3.48Å; Y222-D257 HydrophobicContact CD2-CB 3.91Å; Y222-D257 HydrophobicContact CE1-CB 3.75Å; Y222-D257 WeakPolarHBondContact CE1-OD2 3.4Å; Y222-D257 HydrophobicContact CE2-CB 3.93Å; Y222-D257 HydrophobicContact CG-CB 3.84Å; D257-R311 PolarHBondContact OD2-N 3.23Å; D257-R311 VanDerWaalsContact OD2-N 3.17Å; D257-N312 HydrophobicContact CB-CB 4.2Å; D257-N312 VanDerWaalsContact OD2-CA 3.3Å; D257-N312 WeakPolarHBondContact OD2-CA 3.49Å; D257-N312 WeakPolarHBondContact OD2-CB 3.45Å; D257-N312 PolarHBondContact OD2-N 2.93Å; D257-I313 HydrophobicContact CB-CD1 4.36Å; D257-I313 WeakPolarHBondContact O-CD1 2.89Å
258	G	97	Very high	97.6	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.021	16%	0.164	C	C	.	.			trans	-120.9	155.9	-178.1	0	0	0	0	0	111.2	E158 L256 D260 I313	E158-G258 PolarHBondContact OE1-N 2.79Å; L256-G258 PolarHBondContact O-N 3.23Å; G258-D260 VanDerWaalsContact C-N 3.35Å; G258-D260 PolarHBondContact O-N 3.02Å; G258-I313 VanDerWaalsContact C-CD1 3.44Å
259	D	97.2	Very high	97.5	Very high	36 Å²	36	28.1 Å²	28.1	19%	0.193	16%	0.163	C	C	.	.	S	Bend	trans	-71.1	82.7	-179.2	177.4	17.6	0	0	0	112.2	D310 Q369 N371	D259-D310 VanDerWaalsContact CA-OD2 3.29Å; D259-D310 WeakPolarHBondContact CA-OD2 3.41Å; D259-Q369 VanDerWaalsContact CG-NE2 3.28Å; D259-Q369 PolarHBondContact OD1-NE2 3.01Å; D259-Q369 PolarHBondContact OD2-NE2 2.84Å; D259-N371 PolarHBondContact OD2-ND2 2.77Å
260	D	97.3	Very high	97.4	Very high	37 Å²	37	32.8 Å²	32.8	20%	0.198	19%	0.187	C	C	.	.			trans	-119.7	-7.8	167.7	73.9	-17.5	0	0	0	115.7	L159 R219 G258 D310	L159-D260 HydrophobicContact CD2-CB 3.64Å; R219-D260 IonicContact NH2-OD2 2.79Å; G258-D260 VanDerWaalsContact C-N 3.35Å; G258-D260 PolarHBondContact O-N 3.02Å; D260-D310 PolarHBondContact N-OD2 3.19Å
261	L	97.3	Very high	97.3	Very high	51 Å²	51	32.6 Å²	32.6	27%	0.267	19%	0.186	S	C	.	.	S	Bend	trans	-115	143.1	175.2	-51.5	176.5	0	0	0	111.7	E223 Q309 D310 Q369	E223-L261 HydrophobicContact CG-CD1 4.11Å; L261-Q309 HydrophobicContact CB-CB 3.58Å; L261-Q309 HydrophobicContact CD1-CB 3.98Å; L261-Q309 HydrophobicContact CG-CB 4.45Å; L261-D310 WeakPolarHBondContact CB-OD1 3.49Å; L261-D310 WeakPolarHBondContact CG-OD1 3.25Å; L261-D310 PolarHBondContact N-OD2 3.39Å; L261-D310 VanDerWaalsContact N-OD2 3.11Å; L261-Q369 PolarHBondContact O-OE1 2.94Å
262	G	96.7	Very high	97.1	Very high	8 Å²	8	36.7 Å²	36.7	8%	0.082	21%	0.213	C	C	.	.			trans	-79.9	-177.8	178.1	0	0	0	0	0	114.9	Q309 L375	G262-Q309 VanDerWaalsContact O-CB 3.25Å; G262-Q309 WeakPolarHBondContact O-CB 3.44Å; G262-Q309 WeakPolarHBondContact O-CG 3.27Å; G262-Q309 PolarHBondContact O-N 3.47Å; G262-Q309 PolarHBondContact O-NE2 2.73Å; G262-L375 WeakPolarHBondContact CA-O 3.3Å
263	P	97.6	Very high	96.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.013	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	154.8	169.5	-21.4	35.1	0	0	0	112.6	A306 I307 I322 A367 Q369 L375 A377	P263-A306 HydrophobicContact CB-CB 4.11Å; P263-I307 CarbonylContact C-O 3.6Å; P263-I307 WeakPolarHBondContact CA-O 3.46Å; P263-I322 HydrophobicContact CB-CD1 4.07Å; P263-I322 HydrophobicContact CB-CG1 4.41Å; P263-I322 HydrophobicContact CG-CD1 4.27Å; P263-I322 HydrophobicContact CG-CG1 4.07Å; P263-I322 HydrophobicContact CG-CG2 4.4Å; P263-A367 HydrophobicContact CB-CB 4.32Å; P263-Q369 HydrophobicContact CG-CG 4.16Å; P263-L375 WeakPolarHBondContact CD-O 3.41Å; P263-A377 WeakPolarHBondContact O-CB 3.5Å
264	M	97	Very high	96.6	Very high	29 Å²	29	46.5 Å²	46.5	14%	0.143	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.2	165.7	59.1	157.6	97.2	0	0	110.4	L266 C268 A306 I307 Q309 R311	M264-L266 HydrophobicContact SD-CD2 4.23Å; M264-C268 HydrophobicContact SD-CB 3.91Å; M264-A306 CarbonylContact O-C 3.55Å; M264-A306 WeakPolarHBondContact O-CA 3.25Å; M264-A306 VanDerWaalsContact O-CB 3.31Å; M264-A306 WeakPolarHBondContact O-CB 3.45Å; M264-I307 HydrophobicContact CG-CG1 3.92Å; M264-I307 WeakPolarHBondContact CG-O 3.39Å; M264-I307 PolarHBondContact N-O 2.85Å; M264-I307 PolarHBondContact O-N 2.94Å; M264-I307 HydrophobicContact SD-CG1 4.35Å; M264-Q309 HydrophobicContact CB-CG 3.82Å; M264-Q309 HydrophobicContact CE-CB 4.43Å; M264-Q309 HydrophobicContact CE-CG 3.63Å; M264-Q309 HydrophobicContact CG-CG 3.84Å; M264-R311 PolarHBondContact SD-NH2 3.07Å
265	F	98	Very high	96.3	Very high	13 Å²	13	52.4 Å²	52.4	6%	0.057	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	148.2	172.9	-77.9	-73.3	0	0	0	112.1	L280 Y282 I304 A306 Y324 I365 A367 A377 F378 A379	F265-L280 HydrophobicContact CB-CD2 4.39Å; F265-Y282 HydrophobicContact CD1-CE2 4.04Å; F265-Y282 WeakPolarHBondContact CD1-OH 3.33Å; F265-Y282 HydrophobicContact CE1-CE2 4.44Å; F265-Y282 HydrophobicContact CG-CE2 4.49Å; F265-I304 HydrophobicContact CD1-CG2 4.48Å; F265-I304 HydrophobicContact CE1-CG2 4.03Å; F265-A306 HydrophobicContact CD1-CB 4.07Å; F265-A306 HydrophobicContact CE1-CB 4.35Å; F265-Y324 HydrophobicContact CE1-CD1 4.31Å; F265-Y324 HydrophobicContact CE1-CE1 4.17Å; F265-I365 HydrophobicContact CE1-CG2 4.28Å; F265-I365 HydrophobicContact CZ-CB 4.33Å; F265-I365 HydrophobicContact CZ-CG2 3.99Å; F265-A367 HydrophobicContact CE1-CB 3.89Å; F265-A367 HydrophobicContact CE2-CB 4Å; F265-A367 HydrophobicContact CZ-CB 3.5Å; F265-A377 HydrophobicContact CD2-CB 4.07Å; F265-A377 HydrophobicContact CE2-CB 4.14Å; F265-A377 WeakPolarHBondContact CE2-O 3.35Å; F265-F378 VanDerWaalsContact CE2-C 3.45Å; F265-A379 HydrophobicContact CB-CB 4.45Å; F265-A379 HydrophobicContact CD1-CB 4.25Å; F265-A379 HydrophobicContact CD2-CB 3.53Å; F265-A379 HydrophobicContact CE1-CB 4.37Å; F265-A379 HydrophobicContact CE2-CB 3.68Å; F265-A379 HydrophobicContact CG-CB 3.83Å; F265-A379 HydrophobicContact CZ-CB 4.1Å
266	L	97.2	Very high	96.1	Very high	36 Å²	36	56.9 Å²	56.9	19%	0.188	31%	0.311	C	S	.	.	S	Bend	trans	-113.6	143.4	176.7	-57.4	178.4	0	0	0	112.3	M264 C268 L280 Y282 Q305 I307	M264-L266 HydrophobicContact SD-CD2 4.23Å; L266-C268 HydrophobicContact CD2-CB 4.18Å; L266-L280 WeakPolarHBondContact O-CD2 3.49Å; L266-Y282 PolarHBondContact O-OH 2.92Å; L266-Y282 VanDerWaalsContact O-OH 3.07Å; L266-Q305 HydrophobicContact CB-CG 3.76Å; L266-Q305 HydrophobicContact CD1-CG 3.99Å; L266-Q305 HydrophobicContact CG-CG 4.25Å; L266-Q305 PolarHBondContact N-O 2.81Å; L266-I307 HydrophobicContact CD1-CD1 3.62Å; L266-I307 HydrophobicContact CD1-CG1 4.03Å; L266-I307 HydrophobicContact CD1-CG2 4.12Å; L266-I307 HydrophobicContact CD2-CD1 3.83Å; L266-I307 HydrophobicContact CD2-CG1 4.11Å; L266-I307 HydrophobicContact CG-CD1 4.1Å; L266-I307 HydrophobicContact CG-CG1 4.17Å
267	P	96.8	Very high	95.9	Very high	70 Å²	70	55.4 Å²	55.4	46%	0.455	31%	0.306	S	S	.	.	S	Bend	cis	-73.2	137.8	1.7	29.5	-35.4	0	0	0	113.1	L280 P302	P267-L280 HydrophobicContact CG-CD1 4.31Å; P267-P302 HydrophobicContact CG-CG 4.36Å
268	C	95.1	Very high	95.6	Very high	38 Å²	38	61.7 Å²	61.7	26%	0.257	33%	0.329	S	S	.	.			trans	-96	115.1	171.8	171.5	0	0	0	0	109.6	M264 L266 C277	M264-C268 HydrophobicContact SD-CB 3.91Å; L266-C268 HydrophobicContact CD2-CB 4.18Å; C268-C277 HydrophobicContact CB-CB 3.89Å; C268-C277 WeakPolarHBondContact CB-SG 3.32Å; C268-C277 WeakPolarHBondContact SG-CB 3.35Å; C268-C277 CovalentContact SG-SG 2.03Å; C268-C277 PolarHBondContact SG-SG 3.36Å
269	V	95.2	Very high	95.4	Very high	83 Å²	83	67.9 Å²	67.9	50%	0.503	37%	0.369	S	S	.	.			trans	-108.5	113.9	170.6	179.3	0	0	0	0	107.8	R278	V269-R278 WeakPolarHBondContact O-CB 3.29Å; V269-R278 WeakPolarHBondContact O-CG 3.35Å; V269-R278 PolarHBondContact O-N 2.88Å
270	L	95.1	Very high	95.2	Very high	103 Å²	103	67.7 Å²	67.7	54%	0.539	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-62.6	140.4	-177	-69.2	176.5	0	0	0	112.4	R275 D276	L270-R275 WeakPolarHBondContact CD2-O 3.33Å; L270-D276 WeakPolarHBondContact CA-O 3.29Å
271	V	96	Very high	95.2	Very high	48 Å²	48	69.4 Å²	69.4	29%	0.291	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-72.7	134.7	168.5	178.3	0	0	0	0	108.8	N273 T274 D276 R278	V271-N273 PolarHBondContact O-N 2.85Å; V271-T274 HydrophobicContact CB-CG2 4.44Å; V271-T274 HydrophobicContact CG1-CG2 4.19Å; V271-T274 PolarHBondContact O-N 3.49Å; V271-T274 VanDerWaalsContact O-N 3.07Å; V271-D276 PolarHBondContact N-O 3.06Å; V271-R278 HydrophobicContact CG2-CG 3.63Å
272	P	94.9	Very high	95.2	Very high	87 Å²	87	67 Å²	67	57%	0.565	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	130.5	179.6	-27.1	34.8	0	0	0	112.6	T274	P272-T274 VanDerWaalsContact C-N 3.28Å; P272-T274 PolarHBondContact O-N 2.99Å
273	N	93.7	Very high	95.3	Very high	176 Å²	176	70.6 Å²	70.6	94%	0.941	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	17.3	-177.6	-49.1	-52.3	0	0	0	115.8	V271	V271-N273 PolarHBondContact O-N 2.85Å
274	T	94.1	Very high	95.3	Very high	54 Å²	54	70.9 Å²	70.9	33%	0.331	38%	0.384	S	S	.	.	S	Bend	trans	-131.6	167.4	170.6	91.6	0	0	0	0	111.1	V271 P272 D276	V271-T274 HydrophobicContact CB-CG2 4.44Å; V271-T274 HydrophobicContact CG1-CG2 4.19Å; V271-T274 PolarHBondContact O-N 3.49Å; V271-T274 VanDerWaalsContact O-N 3.07Å; P272-T274 VanDerWaalsContact C-N 3.28Å; P272-T274 PolarHBondContact O-N 2.99Å; T274-D276 VanDerWaalsContact C-N 3.3Å; T274-D276 WeakPolarHBondContact CB-OD2 3.34Å; T274-D276 WeakPolarHBondContact OG1-CB 3.18Å; T274-D276 PolarHBondContact OG1-N 2.92Å; T274-D276 PolarHBondContact OG1-OD2 2.81Å
275	R	92	Very high	95.3	Very high	146 Å²	146	72 Å²	72	55%	0.551	40%	0.398	S	S	*	.	S	Bend	trans	-93.2	10.9	171.4	-67.4	-176.4	176.6	162.2	-0.9	111.8	E223 D224 L270	E223-R275 VanDerWaalsContact CB-NH1 3.27Å; E223-R275 PolarHBondContact O-NH2 2.87Å; D224-R275 IonicContact OD1-CZ 2.84Å; D224-R275 IonicContact OD1-NH1 2.77Å; D224-R275 PolarHBondContact OD1-NH1 2.81Å; D224-R275 IonicContact OD1-NH2 3.76Å; D224-R275 PolarHBondContact OD1-NH2 2.87Å; L270-R275 WeakPolarHBondContact CD2-O 3.33Å
276	D	92.7	Very high	95.1	Very high	101 Å²	101	71.4 Å²	71.4	54%	0.54	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-92.1	138.3	-174.2	-44.6	-59.4	0	0	0	111.8	L270 V271 T274	L270-D276 WeakPolarHBondContact CA-O 3.29Å; V271-D276 PolarHBondContact N-O 3.06Å; T274-D276 VanDerWaalsContact C-N 3.3Å; T274-D276 WeakPolarHBondContact CB-OD2 3.34Å; T274-D276 WeakPolarHBondContact OG1-CB 3.18Å; T274-D276 PolarHBondContact OG1-N 2.92Å; T274-D276 PolarHBondContact OG1-OD2 2.81Å
277	C	93.8	Very high	94.9	Very high	38 Å²	38	71.2 Å²	71.2	26%	0.257	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-73.5	137.6	170.2	-55.6	0	0	0	0	110.7	C268	C268-C277 HydrophobicContact CB-CB 3.89Å; C268-C277 WeakPolarHBondContact CB-SG 3.32Å; C268-C277 WeakPolarHBondContact SG-CB 3.35Å; C268-C277 CovalentContact SG-SG 2.03Å; C268-C277 PolarHBondContact SG-SG 3.36Å
278	R	93.6	Very high	94.6	Very high	138 Å²	138	68 Å²	68	52%	0.521	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-57.7	140.3	170.2	-79.2	-176	-179.3	-177	1.2	110.6	V269 V271 L280	V269-R278 WeakPolarHBondContact O-CB 3.29Å; V269-R278 WeakPolarHBondContact O-CG 3.35Å; V269-R278 PolarHBondContact O-N 2.88Å; V271-R278 HydrophobicContact CG2-CG 3.63Å; R278-L280 PolarHBondContact O-N 3.44Å
279	P	92.3	Very high	94.4	Very high	131 Å²	131	70 Å²	70	85%	0.851	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-53.6	130.7	174.8	-26.3	34.4	0	0	0	111.7
280	L	93.6	Very high	94.2	Very high	33 Å²	33	70.6 Å²	70.6	17%	0.173	38%	0.376	C	S	.	.			trans	-106.1	134	-177.7	-177.3	63.6	0	0	0	110.3	F265 L266 P267 R278 Y282 S380	F265-L280 HydrophobicContact CB-CD2 4.39Å; L266-L280 WeakPolarHBondContact O-CD2 3.49Å; P267-L280 HydrophobicContact CG-CD1 4.31Å; R278-L280 PolarHBondContact O-N 3.44Å; L280-Y282 HydrophobicContact CD2-CD1 4.42Å; L280-Y282 HydrophobicContact CD2-CD2 4.49Å; L280-Y282 HydrophobicContact CD2-CE1 3.74Å; L280-Y282 HydrophobicContact CD2-CE2 3.8Å; L280-Y282 WeakPolarHBondContact CD2-OH 3.44Å; L280-Y282 HydrophobicContact CG-CE1 4.47Å; L280-Y282 HydrophobicContact CG-CE2 4.27Å; L280-S380 PolarHBondContact O-N 3.22Å
281	T	97	Very high	94.2	Very high	72 Å²	72	68.1 Å²	68.1	44%	0.442	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	109.5	170.9	-53	0	0	0	0	109.1	S380 H382	T281-S380 CarbonylContact C-O 3.42Å; T281-S380 WeakPolarHBondContact CA-O 3.17Å; T281-H382 HydrophobicContact CG2-CB 4.27Å
282	Y	98	Very high	94.2	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	152.2	170.1	-66.1	-74.9	0	0	0	110.9	F265 L266 L280 V300 P302 I304 A379 S380 L381 H382	F265-Y282 HydrophobicContact CD1-CE2 4.04Å; F265-Y282 WeakPolarHBondContact CD1-OH 3.33Å; F265-Y282 HydrophobicContact CE1-CE2 4.44Å; F265-Y282 HydrophobicContact CG-CE2 4.49Å; L266-Y282 PolarHBondContact O-OH 2.92Å; L266-Y282 VanDerWaalsContact O-OH 3.07Å; L280-Y282 HydrophobicContact CD2-CD1 4.42Å; L280-Y282 HydrophobicContact CD2-CD2 4.49Å; L280-Y282 HydrophobicContact CD2-CE1 3.74Å; L280-Y282 HydrophobicContact CD2-CE2 3.8Å; L280-Y282 WeakPolarHBondContact CD2-OH 3.44Å; L280-Y282 HydrophobicContact CG-CE1 4.47Å; L280-Y282 HydrophobicContact CG-CE2 4.27Å; Y282-V300 HydrophobicContact CD1-CG1 4.03Å; Y282-V300 HydrophobicContact CG-CG1 4.1Å; Y282-P302 HydrophobicContact CD1-CG 4.01Å; Y282-P302 WeakPolarHBondContact CD1-O 3.46Å; Y282-P302 HydrophobicContact CE1-CG 3.9Å; Y282-P302 WeakPolarHBondContact CE1-O 3.22Å; Y282-I304 HydrophobicContact CD1-CG1 3.97Å; Y282-I304 HydrophobicContact CD2-CG1 4.2Å; Y282-I304 HydrophobicContact CE1-CB 4.38Å; Y282-I304 HydrophobicContact CE1-CG1 4.03Å; Y282-I304 HydrophobicContact CE2-CG1 4.27Å; Y282-I304 HydrophobicContact CE2-CG2 4.3Å; Y282-I304 HydrophobicContact CG-CG1 4.04Å; Y282-A379 HydrophobicContact CD2-CB 3.94Å; Y282-A379 HydrophobicContact CE2-CB 3.6Å; Y282-S380 PolarHBondContact N-O 3.15Å; Y282-L381 WeakPolarHBondContact O-CA 3.5Å; Y282-H382 PolarHBondContact O-N 2.68Å
283	Q	97.9	Very high	94.2	Very high	84 Å²	84	70.1 Å²	70.1	39%	0.393	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.1	-176.7	-62	-68.2	-22.7	0	0	110.4	V300 T301 H382	Q283-V300 WeakPolarHBondContact O-CA 3.5Å; Q283-T301 PolarHBondContact N-O 2.87Å; Q283-T301 PolarHBondContact O-N 3.33Å; Q283-H382 CarbonylContact C-O 3.51Å; Q283-H382 WeakPolarHBondContact CA-O 3.17Å; Q283-H382 PolarHBondContact OE1-CD2 3.46Å
284	A	97.8	Very high	94.2	Very high	8 Å²	8	67.1 Å²	67.1	7%	0.066	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153.9	169.5	0	0	0	0	0	109.7	I298 V300 L381 H382 I383 E384	A284-I298 HydrophobicContact CB-CG2 3.93Å; A284-V300 HydrophobicContact CB-CG2 4.37Å; A284-L381 HydrophobicContact CB-CD1 4.42Å; A284-H382 PolarHBondContact N-O 3.31Å; A284-I383 HydrophobicContact CB-CG1 4.31Å; A284-I383 HydrophobicContact CB-CG2 4.39Å; A284-I383 WeakPolarHBondContact O-CA 3.4Å; A284-E384 PolarHBondContact O-N 3.18Å
285	A	95.7	Very high	94.3	Very high	52 Å²	52	66.5 Å²	66.5	43%	0.43	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	134.4	176.6	0	0	0	0	0	109.6	E384 L386	A285-E384 CarbonylContact C-O 3.58Å; A285-E384 WeakPolarHBondContact CA-O 3.18Å; A285-L386 HydrophobicContact CB-CD1 3.97Å; A285-L386 HydrophobicContact CB-CD2 4.21Å; A285-L386 HydrophobicContact CB-CG 4.12Å
286	I	95.6	Very high	94.5	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	115.9	-171.8	-61.6	-175	0	0	0	107.9	E288 L295 I298 F338 L349 I383 E384 I385 L386	I286-E288 PolarHBondContact O-N 3.44Å; I286-L295 HydrophobicContact CG2-CD1 3.63Å; I286-I298 HydrophobicContact CD1-CD1 3.99Å; I286-I298 HydrophobicContact CD1-CG1 4.13Å; I286-I298 HydrophobicContact CD1-CG2 4.11Å; I286-I298 HydrophobicContact CG1-CD1 4.18Å; I286-I298 HydrophobicContact CG1-CG2 4.12Å; I286-F338 HydrophobicContact CD1-CE1 3.44Å; I286-F338 VanDerWaalsContact CD1-CE1 3.44Å; I286-F338 HydrophobicContact CD1-CZ 3.98Å; I286-L349 HydrophobicContact CD1-CD1 4.36Å; I286-L349 HydrophobicContact CG2-CD2 4.31Å; I286-I383 HydrophobicContact CD1-CG2 3.61Å; I286-I383 HydrophobicContact CG1-CG2 3.88Å; I286-E384 PolarHBondContact N-O 3.26Å; I286-I385 HydrophobicContact CB-CD1 3.95Å; I286-I385 HydrophobicContact CG2-CD1 4.34Å; I286-I385 CarbonylContact O-C 3.53Å; I286-I385 WeakPolarHBondContact O-CA 3.12Å; I286-L386 PolarHBondContact O-N 2.63Å
287	P	92.1	Very high	94.6	Very high	32 Å²	32	60.9 Å²	60.9	21%	0.208	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	134.7	170.2	-16.9	29.5	0	0	0	110.8	R290 L295 E388	P287-R290 HydrophobicContact CB-CG 3.83Å; P287-L295 HydrophobicContact CG-CD2 4.45Å; P287-E388 HydrophobicContact CB-CG 4.19Å; P287-E388 WeakPolarHBondContact CB-OE1 3.16Å
288	E	90.6	Very high	94.8	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.019	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	157.7	179.7	74.6	173.4	117.3	0	0	112.6	I286 R290 V353 R355 I385 L386 D387 E388 N390	I286-E288 PolarHBondContact O-N 3.44Å; E288-R290 PolarHBondContact O-N 3.15Å; E288-V353 CarbonylContact C-O 3.55Å; E288-V353 VanDerWaalsContact CA-O 3.29Å; E288-V353 WeakPolarHBondContact CA-O 3.47Å; E288-V353 WeakPolarHBondContact CB-O 3.35Å; E288-R355 HydrophobicContact CB-CB 3.99Å; E288-R355 HydrophobicContact CG-CB 4.28Å; E288-R355 VanDerWaalsContact OE1-CB 3.32Å; E288-R355 WeakPolarHBondContact OE1-CB 3.33Å; E288-R355 WeakPolarHBondContact OE2-CB 3.43Å; E288-R355 PolarHBondContact OE2-N 2.98Å; E288-I385 HydrophobicContact CB-CG2 3.85Å; E288-L386 WeakPolarHBondContact CB-O 3.4Å; E288-L386 PolarHBondContact N-O 2.79Å; E288-D387 WeakPolarHBondContact OE1-CA 3.21Å; E288-E388 HydrophobicContact CG-CB 4.1Å; E288-E388 HydrophobicContact CG-CG 4.4Å; E288-E388 PolarHBondContact OE1-N 3.2Å; E288-N390 PolarHBondContact OE1-ND2 3.08Å; E288-N390 PolarHBondContact OE2-ND2 2.65Å
289	L	90.7	Very high	94.9	Very high	79 Å²	79	59.8 Å²	59.8	41%	0.414	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	-2.4	175.9	-54.3	-179.1	0	0	0	116.9	V353 N354 N390	L289-V353 PolarHBondContact N-O 3.06Å; L289-N354 HydrophobicContact CD2-CB 3.83Å; L289-N390 HydrophobicContact CD1-CB 4.01Å; L289-N390 VanDerWaalsContact CD1-ND2 3.29Å; L289-N390 WeakPolarHBondContact CD1-ND2 3.35Å
290	R	92	Very high	95.2	Very high	96 Å²	96	54.1 Å²	54.1	36%	0.362	29%	0.289	S	S	.	.			trans	-71.5	148.5	172.8	-63.7	-56.9	-171.2	120.7	10.2	112.7	P287 E288 E294 L295 P352 E388	P287-R290 HydrophobicContact CB-CG 3.83Å; E288-R290 PolarHBondContact O-N 3.15Å; R290-E294 WeakPolarHBondContact CD-OE2 3.49Å; R290-E294 IonicContact NH1-OE1 2.65Å; R290-L295 HydrophobicContact CB-CD1 3.65Å; R290-L295 HydrophobicContact CB-CD2 4.09Å; R290-L295 HydrophobicContact CB-CG 3.77Å; R290-L295 HydrophobicContact CG-CD1 4.49Å; R290-L295 HydrophobicContact CG-CD2 4.4Å; R290-P352 WeakPolarHBondContact O-CA 3.33Å; R290-P352 WeakPolarHBondContact O-CB 3.45Å; R290-E388 IonicContact CZ-OE1 2.77Å; R290-E388 VanDerWaalsContact CZ-OE1 3.28Å; R290-E388 IonicContact CZ-OE2 3.66Å; R290-E388 IonicContact NE-OE1 2.73Å; R290-E388 PolarHBondContact NE-OE1 3.46Å; R290-E388 IonicContact NE-OE2 2.94Å; R290-E388 PolarHBondContact NE-OE2 3.18Å; R290-E388 VanDerWaalsContact NE-OE2 3.12Å; R290-E388 IonicContact NH2-OE1 3.2Å; R290-E388 PolarHBondContact NH2-OE1 3.29Å; R290-E388 IonicContact NH2-OE2 3.75Å
291	T	94.8	Very high	95.3	Very high	50 Å²	50	56.7 Å²	56.7	31%	0.307	31%	0.306	S	S	.	.			trans	-83.4	154.3	-175.9	85.6	0	0	0	0	112.6	E293 E294 L295	T291-E293 WeakPolarHBondContact CB-OE2 3.35Å; T291-E293 PolarHBondContact O-N 2.84Å; T291-E293 PolarHBondContact OG1-N 3.49Å; T291-E293 PolarHBondContact OG1-OE2 2.79Å; T291-E294 PolarHBondContact N-OE2 3.36Å; T291-E294 PolarHBondContact O-N 3.04Å; T291-L295 PolarHBondContact O-N 2.92Å
292	P	95.6	Very high	95.3	Very high	18 Å²	18	55.2 Å²	55.2	12%	0.117	30%	0.298	C	S	.	.	H	α-helix	trans	-49.4	-37.4	171.6	-33.1	39.7	0	0	0	114.2	E294 L295 N296 L349 L350	P292-E294 VanDerWaalsContact C-N 3.3Å; P292-E294 PolarHBondContact O-N 3.18Å; P292-L295 PolarHBondContact O-N 2.87Å; P292-N296 WeakPolarHBondContact O-CB 3.08Å; P292-N296 PolarHBondContact O-N 2.85Å; P292-N296 PolarHBondContact O-ND2 3.31Å; P292-N296 VanDerWaalsContact O-ND2 3.15Å; P292-L349 WeakPolarHBondContact CB-O 3.16Å; P292-L350 WeakPolarHBondContact CG-O 3.27Å
293	E	95.4	Very high	95.3	Very high	160 Å²	160	59.3 Å²	59.3	75%	0.748	32%	0.324	S	S	*	.	H	α-helix	trans	-69	-27.8	-179.1	-59	74.5	-160.6	0	0	113.1	T291	T291-E293 WeakPolarHBondContact CB-OE2 3.35Å; T291-E293 PolarHBondContact O-N 2.84Å; T291-E293 PolarHBondContact OG1-N 3.49Å; T291-E293 PolarHBondContact OG1-OE2 2.79Å
294	E	93.6	Very high	95.3	Very high	113 Å²	113	56 Å²	56	53%	0.528	31%	0.309	S	S	.	.	H	α-helix	trans	-80.8	-33.7	178.4	-63.9	179.6	127.1	0	0	112.1	R290 T291 P292	R290-E294 WeakPolarHBondContact CD-OE2 3.49Å; R290-E294 IonicContact NH1-OE1 2.65Å; T291-E294 PolarHBondContact N-OE2 3.36Å; T291-E294 PolarHBondContact O-N 3.04Å; P292-E294 VanDerWaalsContact C-N 3.3Å; P292-E294 PolarHBondContact O-N 3.18Å
295	L	95.1	Very high	95.2	Very high	40 Å²	40	60.1 Å²	60.1	21%	0.209	33%	0.327	C	S	.	.	H	α-helix	trans	-103.6	-24.5	-170.5	-61.8	-171.5	0	0	0	114.7	I286 P287 R290 T291 P292 P297 I298 L349	I286-L295 HydrophobicContact CG2-CD1 3.63Å; P287-L295 HydrophobicContact CG-CD2 4.45Å; R290-L295 HydrophobicContact CB-CD1 3.65Å; R290-L295 HydrophobicContact CB-CD2 4.09Å; R290-L295 HydrophobicContact CB-CG 3.77Å; R290-L295 HydrophobicContact CG-CD1 4.49Å; R290-L295 HydrophobicContact CG-CD2 4.4Å; T291-L295 PolarHBondContact O-N 2.92Å; P292-L295 PolarHBondContact O-N 2.87Å; L295-P297 CarbonylContact O-C 3.54Å; L295-P297 VanDerWaalsContact O-C 3.28Å; L295-P297 VanDerWaalsContact O-O 3.13Å; L295-I298 HydrophobicContact CB-CD1 3.74Å; L295-L349 HydrophobicContact CD1-CD2 3.94Å
296	N	96.2	Very high	95.3	Very high	57 Å²	57	58 Å²	58	31%	0.305	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-76.4	140.9	-173.2	-76	-29.1	0	0	0	113.5	P292 T348 L349	P292-N296 WeakPolarHBondContact O-CB 3.08Å; P292-N296 PolarHBondContact O-N 2.85Å; P292-N296 PolarHBondContact O-ND2 3.31Å; P292-N296 VanDerWaalsContact O-ND2 3.15Å; N296-T348 VanDerWaalsContact OD1-CA 3.25Å; N296-T348 WeakPolarHBondContact OD1-CA 3.44Å; N296-L349 PolarHBondContact ND2-O 2.86Å; N296-L349 PolarHBondContact OD1-N 3.05Å
297	P	96.3	Very high	95.4	Very high	72 Å²	72	60.7 Å²	60.7	47%	0.468	32%	0.323	S	S	.	.	S	Bend	cis	-77.2	146.9	-6.6	31.7	-34.8	0	0	0	112.7	L295 L299 E346	L295-P297 CarbonylContact O-C 3.54Å; L295-P297 VanDerWaalsContact O-C 3.28Å; L295-P297 VanDerWaalsContact O-O 3.13Å; P297-L299 PolarHBondContact O-N 2.72Å; P297-E346 HydrophobicContact CB-CG 3.42Å; P297-E346 VanDerWaalsContact CB-CG 3.42Å; P297-E346 HydrophobicContact CG-CG 4.35Å
298	I	97.1	Very high	95.6	Very high	13 Å²	13	60.3 Å²	60.3	7%	0.067	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-67.5	122.5	177.9	-56.4	-56.5	0	0	0	109.5	A284 I286 L295 V300 L347 L349	A284-I298 HydrophobicContact CB-CG2 3.93Å; I286-I298 HydrophobicContact CD1-CD1 3.99Å; I286-I298 HydrophobicContact CD1-CG1 4.13Å; I286-I298 HydrophobicContact CD1-CG2 4.11Å; I286-I298 HydrophobicContact CG1-CD1 4.18Å; I286-I298 HydrophobicContact CG1-CG2 4.12Å; L295-I298 HydrophobicContact CB-CD1 3.74Å; I298-V300 PolarHBondContact O-N 2.78Å; I298-L347 HydrophobicContact CB-CB 4.27Å; I298-L347 HydrophobicContact CB-CD2 4.09Å; I298-L347 HydrophobicContact CB-CG 4.25Å; I298-L347 WeakPolarHBondContact CB-O 3.37Å; I298-L347 HydrophobicContact CG2-CD2 4.01Å; I298-L347 PolarHBondContact N-O 2.81Å; I298-L349 HydrophobicContact CD1-CB 4.05Å; I298-L349 HydrophobicContact CG1-CB 4.23Å
299	L	96.7	Very high	96	Very high	141 Å²	141	62.9 Å²	62.9	74%	0.738	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-73.5	116.9	178.3	-177.7	63.9	0	0	0	110.6	P297	P297-L299 PolarHBondContact O-N 2.72Å
300	V	97.9	Very high	96.3	Very high	11 Å²	11	59.4 Å²	59.4	7%	0.067	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-102	134.1	174.7	-175.2	0	0	0	0	110.1	Y282 Q283 A284 I298 P302 I304 L347 L381	Y282-V300 HydrophobicContact CD1-CG1 4.03Å; Y282-V300 HydrophobicContact CG-CG1 4.1Å; Q283-V300 WeakPolarHBondContact O-CA 3.5Å; A284-V300 HydrophobicContact CB-CG2 4.37Å; I298-V300 PolarHBondContact O-N 2.78Å; V300-P302 CarbonylContact C-O 3.59Å; V300-P302 CarbonylContact O-C 3.57Å; V300-P302 VanDerWaalsContact O-O 3.11Å; V300-I304 HydrophobicContact CB-CD1 4.32Å; V300-I304 HydrophobicContact CB-CG1 4.12Å; V300-I304 HydrophobicContact CG1-CD1 3.98Å; V300-I304 HydrophobicContact CG1-CG1 3.7Å; V300-I304 HydrophobicContact CG2-CD1 4.12Å; V300-I304 HydrophobicContact CG2-CG1 4.46Å; V300-L347 HydrophobicContact CG2-CB 4.23Å; V300-L347 HydrophobicContact CG2-CD2 4.03Å; V300-L381 HydrophobicContact CG1-CD1 3.73Å; V300-L381 HydrophobicContact CG2-CD1 4.33Å
301	T	96	Very high	96.4	Very high	87 Å²	87	61.4 Å²	61.4	53%	0.534	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-116	123.6	-178.8	-56.7	0	0	0	0	111.3	Q283	Q283-T301 PolarHBondContact N-O 2.87Å; Q283-T301 PolarHBondContact O-N 3.33Å
302	P	96.8	Very high	96.5	Very high	41 Å²	41	62 Å²	62	27%	0.266	32%	0.322	S	S	.	.	S	Bend	cis	-64.8	171.4	-15.8	29	-32.9	0	0	0	112	P267 Y282 V300 I304	P267-P302 HydrophobicContact CG-CG 4.36Å; Y282-P302 HydrophobicContact CD1-CG 4.01Å; Y282-P302 WeakPolarHBondContact CD1-O 3.46Å; Y282-P302 HydrophobicContact CE1-CG 3.9Å; Y282-P302 WeakPolarHBondContact CE1-O 3.22Å; V300-P302 CarbonylContact C-O 3.59Å; V300-P302 CarbonylContact O-C 3.57Å; V300-P302 VanDerWaalsContact O-O 3.11Å; P302-I304 PolarHBondContact O-N 3.36Å
303	P	97.1	Very high	96.6	Very high	87 Å²	87	61.6 Å²	61.6	57%	0.565	32%	0.319	S	S	*	.			trans	-57.3	133.7	176.3	-25.1	34.6	0	0	0	111.9	Q305	P303-Q305 PolarHBondContact O-N 2.72Å
304	I	98	Very high	96.5	Very high	15 Å²	15	58.7 Å²	58.7	8%	0.077	31%	0.305	C	S	.	.			trans	-69.7	115.2	177.8	-55.5	176	0	0	0	108.7	F265 Y282 V300 P302 Y324 M340 A345 L381	F265-I304 HydrophobicContact CD1-CG2 4.48Å; F265-I304 HydrophobicContact CE1-CG2 4.03Å; Y282-I304 HydrophobicContact CD1-CG1 3.97Å; Y282-I304 HydrophobicContact CD2-CG1 4.2Å; Y282-I304 HydrophobicContact CE1-CB 4.38Å; Y282-I304 HydrophobicContact CE1-CG1 4.03Å; Y282-I304 HydrophobicContact CE2-CG1 4.27Å; Y282-I304 HydrophobicContact CE2-CG2 4.3Å; Y282-I304 HydrophobicContact CG-CG1 4.04Å; V300-I304 HydrophobicContact CB-CD1 4.32Å; V300-I304 HydrophobicContact CB-CG1 4.12Å; V300-I304 HydrophobicContact CG1-CD1 3.98Å; V300-I304 HydrophobicContact CG1-CG1 3.7Å; V300-I304 HydrophobicContact CG2-CD1 4.12Å; V300-I304 HydrophobicContact CG2-CG1 4.46Å; P302-I304 PolarHBondContact O-N 3.36Å; I304-Y324 HydrophobicContact CG2-CD1 4.36Å; I304-Y324 HydrophobicContact CG2-CE1 4.4Å; I304-M340 HydrophobicContact CD1-CE 3.72Å; I304-A345 HydrophobicContact CB-CB 3.74Å; I304-A345 HydrophobicContact CG2-CB 3.53Å; I304-L381 HydrophobicContact CD1-CD2 4.47Å
305	Q	97.1	Very high	96.6	Very high	94 Å²	94	56.3 Å²	56.3	44%	0.439	30%	0.3	S	S	.	.			trans	-150.5	147.2	172.8	68.3	-168.7	-34.4	0	0	109.7	L266 P303	L266-Q305 HydrophobicContact CB-CG 3.76Å; L266-Q305 HydrophobicContact CD1-CG 3.99Å; L266-Q305 HydrophobicContact CG-CG 4.25Å; L266-Q305 PolarHBondContact N-O 2.81Å; P303-Q305 PolarHBondContact O-N 2.72Å
306	A	97.5	Very high	96.6	Very high	7 Å²	7	58.1 Å²	58.1	6%	0.058	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	153.8	172.7	0	0	0	0	0	109.5	P263 M264 F265 I322 Y324 A367	P263-A306 HydrophobicContact CB-CB 4.11Å; M264-A306 CarbonylContact O-C 3.55Å; M264-A306 WeakPolarHBondContact O-CA 3.25Å; M264-A306 VanDerWaalsContact O-CB 3.31Å; M264-A306 WeakPolarHBondContact O-CB 3.45Å; F265-A306 HydrophobicContact CD1-CB 4.07Å; F265-A306 HydrophobicContact CE1-CB 4.35Å; A306-I322 HydrophobicContact CB-CD1 4.26Å; A306-I322 HydrophobicContact CB-CG2 4.42Å; A306-I322 VanDerWaalsContact O-CD1 3.24Å; A306-I322 WeakPolarHBondContact O-CD1 3.3Å; A306-Y324 HydrophobicContact CB-CE1 3.81Å; A306-Y324 PolarHBondContact N-OH 3.1Å; A306-Y324 PolarHBondContact O-OH 3.02Å; A306-A367 HydrophobicContact CB-CB 3.76Å
307	I	97.2	Very high	96.7	Very high	58 Å²	58	60.1 Å²	60.1	30%	0.297	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.5	176.9	55.5	-176	0	0	0	108.8	P263 M264 L266 R311	P263-I307 CarbonylContact C-O 3.6Å; P263-I307 WeakPolarHBondContact CA-O 3.46Å; M264-I307 HydrophobicContact CG-CG1 3.92Å; M264-I307 WeakPolarHBondContact CG-O 3.39Å; M264-I307 PolarHBondContact N-O 2.85Å; M264-I307 PolarHBondContact O-N 2.94Å; M264-I307 HydrophobicContact SD-CG1 4.35Å; L266-I307 HydrophobicContact CD1-CD1 3.62Å; L266-I307 HydrophobicContact CD1-CG1 4.03Å; L266-I307 HydrophobicContact CD1-CG2 4.12Å; L266-I307 HydrophobicContact CD2-CD1 3.83Å; L266-I307 HydrophobicContact CD2-CG1 4.11Å; L266-I307 HydrophobicContact CG-CD1 4.1Å; L266-I307 HydrophobicContact CG-CG1 4.17Å; I307-R311 VanDerWaalsContact CD1-NH2 3.28Å
308	D	96.8	Very high	96.6	Very high	23 Å²	23	61.4 Å²	61.4	12%	0.123	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	135.9	173.9	-161.3	-23.5	0	0	0	110.7	D310 R311 P320	D308-D310 VanDerWaalsContact C-N 3.27Å; D308-D310 PolarHBondContact OD1-N 2.77Å; D308-R311 PolarHBondContact O-NH1 2.99Å; D308-P320 WeakPolarHBondContact OD2-CD 3.39Å; D308-P320 VanDerWaalsContact OD2-CG 3.28Å; D308-P320 WeakPolarHBondContact OD2-CG 3.34Å
309	Q	97.3	Very high	96.6	Very high	59 Å²	59	66.4 Å²	66.4	28%	0.276	35%	0.353	S	S	.	.	S	Bend	trans	-72.7	-25.9	175.7	-74.7	-178.6	101.9	0	0	111.3	L261 G262 M264 R311	L261-Q309 HydrophobicContact CB-CB 3.58Å; L261-Q309 HydrophobicContact CD1-CB 3.98Å; L261-Q309 HydrophobicContact CG-CB 4.45Å; G262-Q309 VanDerWaalsContact O-CB 3.25Å; G262-Q309 WeakPolarHBondContact O-CB 3.44Å; G262-Q309 WeakPolarHBondContact O-CG 3.27Å; G262-Q309 PolarHBondContact O-N 3.47Å; G262-Q309 PolarHBondContact O-NE2 2.73Å; M264-Q309 HydrophobicContact CB-CG 3.82Å; M264-Q309 HydrophobicContact CE-CB 4.43Å; M264-Q309 HydrophobicContact CE-CG 3.63Å; M264-Q309 HydrophobicContact CG-CG 3.84Å; Q309-R311 WeakPolarHBondContact O-CD 3.35Å; Q309-R311 WeakPolarHBondContact O-CG 3.33Å; Q309-R311 PolarHBondContact O-N 2.92Å; Q309-R311 VanDerWaalsContact O-N 3.16Å
310	D	97.3	Very high	96.6	Very high	6 Å²	6	60.6 Å²	60.6	3%	0.032	32%	0.324	C	S	.	.			trans	-80.5	95.6	177.5	-58.2	-25.1	0	0	0	109.5	D259 D260 L261 D308 N312 I313	D259-D310 VanDerWaalsContact CA-OD2 3.29Å; D259-D310 WeakPolarHBondContact CA-OD2 3.41Å; D260-D310 PolarHBondContact N-OD2 3.19Å; L261-D310 WeakPolarHBondContact CB-OD1 3.49Å; L261-D310 WeakPolarHBondContact CG-OD1 3.25Å; L261-D310 PolarHBondContact N-OD2 3.39Å; L261-D310 VanDerWaalsContact N-OD2 3.11Å; D308-D310 VanDerWaalsContact C-N 3.27Å; D308-D310 PolarHBondContact OD1-N 2.77Å; D310-N312 VanDerWaalsContact C-N 3.34Å; D310-N312 PolarHBondContact O-N 2.81Å; D310-I313 HydrophobicContact CB-CD1 3.67Å; D310-I313 HydrophobicContact CB-CG1 3.67Å
311	R	95	Very high	96.6	Very high	138 Å²	138	61.4 Å²	61.4	52%	0.521	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-20.8	-163.4	-61.6	-49.9	-164.3	177.9	3.8	113.9	D257 M264 I307 D308 Q309	D257-R311 PolarHBondContact OD2-N 3.23Å; D257-R311 VanDerWaalsContact OD2-N 3.17Å; M264-R311 PolarHBondContact SD-NH2 3.07Å; I307-R311 VanDerWaalsContact CD1-NH2 3.28Å; D308-R311 PolarHBondContact O-NH1 2.99Å; Q309-R311 WeakPolarHBondContact O-CD 3.35Å; Q309-R311 WeakPolarHBondContact O-CG 3.33Å; Q309-R311 PolarHBondContact O-N 2.92Å; Q309-R311 VanDerWaalsContact O-N 3.16Å
312	N	97.1	Very high	96.7	Very high	62 Å²	62	58.5 Å²	58.5	33%	0.332	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	34.5	-168.2	-169.2	36.6	0	0	0	112.7	Y222 D257 D310 Q314	Y222-N312 HydrophobicContact CE1-CB 4.33Å; Y222-N312 PolarHBondContact OH-ND2 3.36Å; D257-N312 HydrophobicContact CB-CB 4.2Å; D257-N312 VanDerWaalsContact OD2-CA 3.3Å; D257-N312 WeakPolarHBondContact OD2-CA 3.49Å; D257-N312 WeakPolarHBondContact OD2-CB 3.45Å; D257-N312 PolarHBondContact OD2-N 2.93Å; D310-N312 VanDerWaalsContact C-N 3.34Å; D310-N312 PolarHBondContact O-N 2.81Å; N312-Q314 WeakPolarHBondContact O-CG 3.41Å; N312-Q314 PolarHBondContact O-N 3.04Å; N312-Q314 PolarHBondContact OD1-NE2 2.82Å
313	I	96.9	Very high	96.7	Very high	10 Å²	10	59 Å²	59	5%	0.051	32%	0.315	C	S	.	.			trans	-54.1	124.1	165.9	-58.9	-58.7	0	0	0	109.7	D257 G258 D310 D318 R319	D257-I313 HydrophobicContact CB-CD1 4.36Å; D257-I313 WeakPolarHBondContact O-CD1 2.89Å; G258-I313 VanDerWaalsContact C-CD1 3.44Å; D310-I313 HydrophobicContact CB-CD1 3.67Å; D310-I313 HydrophobicContact CB-CG1 3.67Å; I313-D318 HydrophobicContact CG2-CB 3.97Å; I313-R319 HydrophobicContact CB-CG 3.89Å; I313-R319 HydrophobicContact CG2-CG 4.05Å; I313-R319 PolarHBondContact O-NE 3.49Å; I313-R319 PolarHBondContact O-NH2 3.33Å
314	Q	93.7	Very high	96.8	Very high	98 Å²	98	55.8 Å²	55.8	46%	0.458	29%	0.292	S	S	.	.	S	Bend	trans	-126.1	138.2	177.9	-63.7	-62.1	-24.3	0	0	110.4	N312	N312-Q314 WeakPolarHBondContact O-CG 3.41Å; N312-Q314 PolarHBondContact O-N 3.04Å; N312-Q314 PolarHBondContact OD1-NE2 2.82Å
315	P	96.1	Very high	96.8	Very high	64 Å²	64	56.9 Å²	56.9	42%	0.416	30%	0.301	S	S	.	.	S	Bend	cis	-69.4	164.2	-6.8	30.1	-37.2	0	0	0	112.9	S317 D318	P315-S317 VanDerWaalsContact CG-OG 3.3Å; P315-S317 WeakPolarHBondContact CG-OG 3.05Å; P315-S317 PolarHBondContact O-N 2.82Å; P315-D318 WeakPolarHBondContact CD-OD2 3.41Å; P315-D318 PolarHBondContact O-N 2.8Å
316	P	95.7	Very high	96.9	Very high	78 Å²	78	53.7 Å²	53.7	51%	0.506	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-59.4	-16.6	178.2	-25.5	35.4	0	0	0	115.4	D318 R319	P316-D318 PolarHBondContact O-N 2.81Å; P316-R319 WeakPolarHBondContact O-CB 3.2Å; P316-R319 PolarHBondContact O-N 2.85Å
317	S	96.5	Very high	96.9	Very high	99 Å²	99	57 Å²	57	69%	0.692	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-67.8	-20.7	173.6	53.3	0	0	0	0	113.7	P315 R319	P315-S317 VanDerWaalsContact CG-OG 3.3Å; P315-S317 WeakPolarHBondContact CG-OG 3.05Å; P315-S317 PolarHBondContact O-N 2.82Å; S317-R319 VanDerWaalsContact C-N 3.34Å
318	D	95.9	Very high	96.9	Very high	98 Å²	98	58 Å²	58	52%	0.524	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-91.6	-5.1	-176.6	-64.3	10.4	0	0	0	111.3	I313 P315 P316	I313-D318 HydrophobicContact CG2-CB 3.97Å; P315-D318 WeakPolarHBondContact CD-OD2 3.41Å; P315-D318 PolarHBondContact O-N 2.8Å; P316-D318 PolarHBondContact O-N 2.81Å
319	R	96.9	Very high	96.9	Very high	119 Å²	119	57.4 Å²	57.4	45%	0.449	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-68.6	122.6	176	-68.3	171.3	-170.4	-179	-0.4	109.9	I313 P316 S317	I313-R319 HydrophobicContact CB-CG 3.89Å; I313-R319 HydrophobicContact CG2-CG 4.05Å; I313-R319 PolarHBondContact O-NE 3.49Å; I313-R319 PolarHBondContact O-NH2 3.33Å; P316-R319 WeakPolarHBondContact O-CB 3.2Å; P316-R319 PolarHBondContact O-N 2.85Å; S317-R319 VanDerWaalsContact C-N 3.34Å
320	P	96.5	Very high	96.9	Very high	19 Å²	19	59.2 Å²	59.2	12%	0.123	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-67.3	149.6	177.8	27.5	-33.2	0	0	0	111.4	D308 Q369 N371	D308-P320 WeakPolarHBondContact OD2-CD 3.39Å; D308-P320 VanDerWaalsContact OD2-CG 3.28Å; D308-P320 WeakPolarHBondContact OD2-CG 3.34Å; P320-Q369 HydrophobicContact CB-CB 3.83Å; P320-Q369 HydrophobicContact CB-CG 3.75Å; P320-Q369 HydrophobicContact CG-CB 4.15Å; P320-Q369 HydrophobicContact CG-CG 3.53Å; P320-N371 HydrophobicContact CB-CB 4.1Å
321	G	96.7	Very high	96.9	Very high	27 Å²	27	61 Å²	61	28%	0.278	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-77.1	157.9	161.6	0	0	0	0	0	110.4	Q369 D370	G321-Q369 WeakPolarHBondContact O-CA 3.4Å; G321-D370 WeakPolarHBondContact CA-OD1 3.26Å; G321-D370 WeakPolarHBondContact CA-OD2 3.28Å; G321-D370 PolarHBondContact N-OD1 3.07Å; G321-D370 VanDerWaalsContact O-CG 3.3Å; G321-D370 PolarHBondContact O-N 2.86Å
322	I	98.2	Very high	96.9	Very high	27 Å²	27	63 Å²	63	14%	0.138	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.5	176.5	-61.7	171.5	0	0	0	109.4	P263 A306 Y324 R343 A367 E368	P263-I322 HydrophobicContact CB-CD1 4.07Å; P263-I322 HydrophobicContact CB-CG1 4.41Å; P263-I322 HydrophobicContact CG-CD1 4.27Å; P263-I322 HydrophobicContact CG-CG1 4.07Å; P263-I322 HydrophobicContact CG-CG2 4.4Å; A306-I322 HydrophobicContact CB-CD1 4.26Å; A306-I322 HydrophobicContact CB-CG2 4.42Å; A306-I322 VanDerWaalsContact O-CD1 3.24Å; A306-I322 WeakPolarHBondContact O-CD1 3.3Å; I322-Y324 HydrophobicContact CB-CE2 4.34Å; I322-Y324 HydrophobicContact CG2-CD2 4.33Å; I322-Y324 HydrophobicContact CG2-CE1 4.04Å; I322-Y324 HydrophobicContact CG2-CE2 3.82Å; I322-R343 PolarHBondContact O-NH1 3.02Å; I322-R343 VanDerWaalsContact O-NH1 3.16Å; I322-A367 HydrophobicContact CG2-CB 3.96Å; I322-E368 CarbonylContact C-O 3.55Å; I322-E368 WeakPolarHBondContact CA-O 3.38Å
323	L	98.3	Very high	97	Very high	51 Å²	51	62.3 Å²	62.3	27%	0.267	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.5	172.3	-68.8	171.5	0	0	0	110	P342 R343 A367 E368 D370	L323-P342 CarbonylContact C-O 3.42Å; L323-P342 VanDerWaalsContact CA-O 3.27Å; L323-P342 WeakPolarHBondContact CA-O 3.2Å; L323-P342 HydrophobicContact CD2-CB 4.24Å; L323-R343 VanDerWaalsContact CD2-CZ 3.47Å; L323-A367 WeakPolarHBondContact O-CA 3.42Å; L323-E368 HydrophobicContact CB-CG 4.2Å; L323-E368 PolarHBondContact N-O 3.28Å; L323-E368 PolarHBondContact O-N 3.45Å; L323-D370 HydrophobicContact CD1-CB 3.77Å; L323-D370 HydrophobicContact CG-CB 3.96Å
324	Y	98.6	Very high	97	Very high	20 Å²	20	63.5 Å²	63.5	8%	0.078	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	141.5	175.7	-59.3	-86	0	0	0	110.6	F265 I304 A306 I322 P342 A345 K366 A367	F265-Y324 HydrophobicContact CE1-CD1 4.31Å; F265-Y324 HydrophobicContact CE1-CE1 4.17Å; I304-Y324 HydrophobicContact CG2-CD1 4.36Å; I304-Y324 HydrophobicContact CG2-CE1 4.4Å; A306-Y324 HydrophobicContact CB-CE1 3.81Å; A306-Y324 PolarHBondContact N-OH 3.1Å; A306-Y324 PolarHBondContact O-OH 3.02Å; I322-Y324 HydrophobicContact CB-CE2 4.34Å; I322-Y324 HydrophobicContact CG2-CD2 4.33Å; I322-Y324 HydrophobicContact CG2-CE1 4.04Å; I322-Y324 HydrophobicContact CG2-CE2 3.82Å; Y324-P342 PolarHBondContact N-O 2.99Å; Y324-P342 WeakPolarHBondContact O-CA 3.48Å; Y324-A345 HydrophobicContact CD1-CB 3.79Å; Y324-A345 HydrophobicContact CD2-CB 3.87Å; Y324-A345 HydrophobicContact CE1-CB 4.15Å; Y324-A345 HydrophobicContact CE2-CB 4.23Å; Y324-A345 HydrophobicContact CG-CB 3.63Å; Y324-K366 CarbonylContact C-O 3.53Å; Y324-K366 WeakPolarHBondContact CA-O 3.34Å; Y324-A367 HydrophobicContact CD1-CB 3.96Å; Y324-A367 HydrophobicContact CE1-CB 3.9Å
325	S	98.2	Very high	97.2	Very high	37 Å²	37	62.2 Å²	62.2	26%	0.259	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	152.4	175.1	59.6	0	0	0	0	111	I365 K366	S325-I365 WeakPolarHBondContact O-CA 3.25Å; S325-K366 PolarHBondContact N-O 2.86Å; S325-K366 PolarHBondContact O-N 2.97Å; S325-K366 WeakPolarHBondContact OG-CE 3.38Å
326	I	98.3	Very high	97.2	Very high	27 Å²	27	65.6 Å²	65.6	14%	0.138	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	115.6	164.1	-53.5	165.5	0	0	0	106.5	Y334 F338 M340 L347 L363 I365	I326-Y334 HydrophobicContact CB-CE2 3.89Å; I326-Y334 HydrophobicContact CD1-CD2 4.41Å; I326-Y334 HydrophobicContact CD1-CE2 4.39Å; I326-Y334 HydrophobicContact CG2-CD2 3.84Å; I326-Y334 HydrophobicContact CG2-CE2 3.28Å; I326-F338 HydrophobicContact CD1-CB 4.06Å; I326-M340 HydrophobicContact CD1-CB 4.09Å; I326-M340 HydrophobicContact CG1-CB 3.92Å; I326-M340 HydrophobicContact CG1-CE 4.23Å; I326-M340 HydrophobicContact CG1-SD 4.39Å; I326-L347 HydrophobicContact CD1-CD1 4.26Å; I326-L363 HydrophobicContact CD1-CD1 4.24Å; I326-L363 HydrophobicContact CG2-CB 4.16Å; I326-L363 HydrophobicContact CG2-CD1 4.23Å; I326-I365 HydrophobicContact CB-CD1 4.32Å; I326-I365 HydrophobicContact CG1-CD1 3.77Å; I326-I365 HydrophobicContact CG2-CD1 4.37Å
327	L	97.5	Very high	97.4	Very high	76 Å²	76	62.1 Å²	62.1	40%	0.398	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-52.8	-175.9	179.5	66.9	0	0	0	111.3	V364 K366 F378	L327-V364 WeakPolarHBondContact CB-O 3.1Å; L327-V364 HydrophobicContact CD2-CG1 4.4Å; L327-V364 PolarHBondContact N-O 2.79Å; L327-K366 HydrophobicContact CB-CB 4.23Å; L327-K366 HydrophobicContact CD1-CD 4.39Å; L327-F378 HydrophobicContact CD2-CD1 3.94Å; L327-F378 HydrophobicContact CD2-CE1 3.67Å
328	V	97.5	Very high	97.4	Very high	80 Å²	80	57.7 Å²	57.7	49%	0.485	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162.4	-178.8	-70.9	0	0	0	0	109.1	V364	V328-V364 HydrophobicContact CG2-CB 3.82Å; V328-V364 HydrophobicContact CG2-CG2 3.84Å; V328-V364 PolarHBondContact O-N 3.01Å
329	G	96.9	Very high	97.5	Very high	11 Å²	11	57.4 Å²	57.4	11%	0.113	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	158.9	179.3	0	0	0	0	0	112.7	P331 Y334 D362	G329-P331 CarbonylContact C-O 3.57Å; G329-Y334 VanDerWaalsContact N-CE1 3.33Å; G329-D362 CarbonylContact C-O 3.58Å; G329-D362 VanDerWaalsContact CA-O 3.26Å; G329-D362 WeakPolarHBondContact CA-O 3.22Å
330	T	97.3	Very high	97.6	Very high	96 Å²	96	52.4 Å²	52.4	59%	0.589	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.1	173.4	-58.3	0	0	0	0	108.9	F361 D362	T330-F361 WeakPolarHBondContact O-CA 3.35Å; T330-D362 PolarHBondContact N-O 2.89Å; T330-D362 PolarHBondContact O-N 3.23Å
331	P	97.1	Very high	97.7	Very high	44 Å²	44	55.2 Å²	55.2	29%	0.286	29%	0.292	S	S	.	.	S	Bend	cis	-59.7	156.3	-4.9	-27.4	38.5	0	0	0	115	G329 D333 Y334 K360	G329-P331 CarbonylContact C-O 3.57Å; P331-D333 WeakPolarHBondContact CB-OD1 3.24Å; P331-D333 PolarHBondContact O-N 3.37Å; P331-Y334 WeakPolarHBondContact O-CD1 3.29Å; P331-Y334 PolarHBondContact O-N 3.46Å; P331-K360 VanDerWaalsContact CD-O 3.3Å; P331-K360 WeakPolarHBondContact CD-O 3.35Å
332	E	96	Very high	97.7	Very high	180 Å²	180	56.7 Å²	56.7	84%	0.841	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.6	-175.9	-67.6	-170.8	166.6	0	0	113.7	Y334 P335	E332-Y334 PolarHBondContact O-N 2.86Å; E332-P335 WeakPolarHBondContact O-CD 3.43Å
333	D	97.3	Very high	97.7	Very high	48 Å²	48	61.1 Å²	61.1	26%	0.257	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	10.5	178.7	70.2	-30.3	0	0	0	113.5	P331 P335 R336 H358	P331-D333 WeakPolarHBondContact CB-OD1 3.24Å; P331-D333 PolarHBondContact O-N 3.37Å; D333-P335 WeakPolarHBondContact O-CD 3.47Å; D333-P335 VanDerWaalsContact O-N 3.12Å; D333-R336 VanDerWaalsContact O-CB 3.29Å; D333-R336 WeakPolarHBondContact O-CB 3.31Å; D333-R336 PolarHBondContact O-N 3.14Å; D333-R336 IonicContact OD2-NH1 2.82Å; D333-H358 IonicContact OD1-CD2 3.28Å; D333-H358 IonicContact OD1-NE2 2.84Å; D333-H358 PolarHBondContact OD1-NE2 3.44Å; D333-H358 IonicContact OD2-CD2 3.87Å; D333-H358 IonicContact OD2-CE1 3.98Å; D333-H358 PolarHBondContact OD2-CE1 3.47Å; D333-H358 IonicContact OD2-NE2 3.83Å; D333-H358 PolarHBondContact OD2-NE2 2.72Å
334	Y	97.6	Very high	97.6	Very high	35 Å²	35	62.6 Å²	62.6	14%	0.137	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-47.5	-33.1	170.5	79.7	-94.3	0	0	0	115.2	I326 G329 P331 E332 R336 F337 F338 L363	I326-Y334 HydrophobicContact CB-CE2 3.89Å; I326-Y334 HydrophobicContact CD1-CD2 4.41Å; I326-Y334 HydrophobicContact CD1-CE2 4.39Å; I326-Y334 HydrophobicContact CG2-CD2 3.84Å; I326-Y334 HydrophobicContact CG2-CE2 3.28Å; G329-Y334 VanDerWaalsContact N-CE1 3.33Å; P331-Y334 WeakPolarHBondContact O-CD1 3.29Å; P331-Y334 PolarHBondContact O-N 3.46Å; E332-Y334 PolarHBondContact O-N 2.86Å; Y334-R336 PolarHBondContact O-N 3.09Å; Y334-R336 VanDerWaalsContact O-N 3.11Å; Y334-F337 PolarHBondContact O-N 3.3Å; Y334-F338 PolarHBondContact O-N 2.81Å; Y334-L363 HydrophobicContact CD1-CD2 4.12Å; Y334-L363 HydrophobicContact CD2-CD2 4.06Å; Y334-L363 HydrophobicContact CG-CD2 3.66Å
335	P	97.8	Very high	97.6	Very high	71 Å²	71	62 Å²	62	46%	0.461	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-65.2	-15.1	178.9	-21.3	34.6	0	0	0	113.5	E332 D333	E332-P335 WeakPolarHBondContact O-CD 3.43Å; D333-P335 WeakPolarHBondContact O-CD 3.47Å; D333-P335 VanDerWaalsContact O-N 3.12Å
336	R	97.4	Very high	97.5	Very high	134 Å²	134	64.5 Å²	64.5	51%	0.506	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-73.6	-33.1	172.2	-66.3	177.8	56	-158.9	-9.3	112.4	D333 Y334 L350 E351	D333-R336 VanDerWaalsContact O-CB 3.29Å; D333-R336 WeakPolarHBondContact O-CB 3.31Å; D333-R336 PolarHBondContact O-N 3.14Å; D333-R336 IonicContact OD2-NH1 2.82Å; Y334-R336 PolarHBondContact O-N 3.09Å; Y334-R336 VanDerWaalsContact O-N 3.11Å; R336-L350 WeakPolarHBondContact O-CB 3.39Å; R336-E351 IonicContact CZ-OE1 3Å; R336-E351 IonicContact NE-OE1 2.97Å; R336-E351 PolarHBondContact NE-OE1 2.99Å; R336-E351 IonicContact NH2-OE1 2.87Å; R336-E351 PolarHBondContact NH2-OE1 2.95Å
337	F	98.1	Very high	97.5	Very high	5 Å²	5	63.3 Å²	63.3	2%	0.022	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-32.4	-172.7	-60.8	-75.2	0	0	0	112.5	Y334 L349 L350 E351 V353 H358 F361	Y334-F337 PolarHBondContact O-N 3.3Å; F337-L349 HydrophobicContact CB-CD1 4.44Å; F337-L349 CarbonylContact O-C 3.2Å; F337-L349 VanDerWaalsContact O-CA 3.27Å; F337-L349 WeakPolarHBondContact O-CA 3.5Å; F337-L350 PolarHBondContact O-N 3.45Å; F337-E351 HydrophobicContact CD1-CG 3.5Å; F337-E351 HydrophobicContact CE1-CG 3.66Å; F337-E351 WeakPolarHBondContact CE1-OE1 3.34Å; F337-E351 HydrophobicContact CG-CG 4.47Å; F337-V353 HydrophobicContact CD1-CG2 3.78Å; F337-V353 HydrophobicContact CE1-CG1 4.47Å; F337-V353 HydrophobicContact CE1-CG2 4.3Å; F337-V353 HydrophobicContact CG-CG2 4.36Å; F337-H358 AromaticContact CE2-CD2 3.95Å; F337-H358 AromaticContact CE2-CE1 3.62Å; F337-H358 AromaticContact CE2-NE2 3.53Å; F337-H358 AromaticContact CZ-CE1 3.49Å; F337-H358 VanDerWaalsContact CZ-CE1 3.49Å; F337-H358 WeakPolarHBondContact CZ-CE1 3.1Å; F337-H358 AromaticContact CZ-ND1 3.73Å; F337-H358 AromaticContact CZ-NE2 3.91Å; F337-F361 HydrophobicContact CB-CZ 4.5Å; F337-F361 AromaticContact CD2-CE1 3.75Å; F337-F361 HydrophobicContact CD2-CE1 3.75Å; F337-F361 AromaticContact CD2-CZ 3.52Å; F337-F361 HydrophobicContact CD2-CZ 3.52Å; F337-F361 HydrophobicContact CE2-CE1 4.22Å; F337-F361 AromaticContact CE2-CZ 3.87Å; F337-F361 HydrophobicContact CE2-CZ 3.87Å; F337-F361 HydrophobicContact CG-CZ 4.06Å
338	F	98.2	Very high	97.6	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.026	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.4	-169.8	-55.4	-65.8	0	0	0	112.8	I286 I326 Y334 L347 T348 L349 F361 L363 I383	I286-F338 HydrophobicContact CD1-CE1 3.44Å; I286-F338 VanDerWaalsContact CD1-CE1 3.44Å; I286-F338 HydrophobicContact CD1-CZ 3.98Å; I326-F338 HydrophobicContact CD1-CB 4.06Å; Y334-F338 PolarHBondContact O-N 2.81Å; F338-L347 HydrophobicContact CB-CD1 4.09Å; F338-L347 HydrophobicContact CD1-CD1 4.42Å; F338-T348 WeakPolarHBondContact CA-O 3.47Å; F338-L349 HydrophobicContact CD1-CD1 4.33Å; F338-L349 HydrophobicContact CE1-CD1 3.8Å; F338-L349 HydrophobicContact CZ-CD1 4.46Å; F338-F361 HydrophobicContact CD2-CD1 4.46Å; F338-F361 HydrophobicContact CD2-CG 4.46Å; F338-F361 HydrophobicContact CE2-CB 4.09Å; F338-F361 AromaticContact CE2-CD1 3.77Å; F338-F361 HydrophobicContact CE2-CD1 3.77Å; F338-F361 AromaticContact CE2-CD2 3.49Å; F338-F361 HydrophobicContact CE2-CD2 3.49Å; F338-F361 VanDerWaalsContact CE2-CD2 3.49Å; F338-F361 HydrophobicContact CE2-CE1 4.01Å; F338-F361 AromaticContact CE2-CE2 3.75Å; F338-F361 HydrophobicContact CE2-CE2 3.75Å; F338-F361 AromaticContact CE2-CG 3.51Å; F338-F361 HydrophobicContact CE2-CG 3.51Å; F338-F361 AromaticContact CE2-CZ 3.99Å; F338-F361 HydrophobicContact CE2-CZ 3.99Å; F338-F361 AromaticContact CZ-CD2 3.77Å; F338-F361 HydrophobicContact CZ-CD2 3.77Å; F338-F361 AromaticContact CZ-CE2 3.96Å; F338-F361 HydrophobicContact CZ-CE2 3.96Å; F338-F361 HydrophobicContact CZ-CG 4.23Å; F338-L363 HydrophobicContact CD2-CD1 4.27Å; F338-I383 HydrophobicContact CD1-CD1 4.06Å; F338-I383 HydrophobicContact CD2-CD1 4.15Å; F338-I383 HydrophobicContact CE1-CD1 3.82Å; F338-I383 HydrophobicContact CE1-CG2 4.46Å; F338-I383 HydrophobicContact CE2-CD1 3.9Å; F338-I383 HydrophobicContact CG-CD1 4.23Å; F338-I383 HydrophobicContact CZ-CD1 3.72Å; F338-I383 HydrophobicContact CZ-CG2 4.12Å
339	H	97.7	Very high	97.6	Very high	93 Å²	93	57.2 Å²	57.2	43%	0.431	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.6	166.8	172.3	-92.3	0	0	0	109.3	T348 L350	H339-T348 PolarHBondContact N-O 3.43Å; H339-T348 PolarHBondContact O-N 2.91Å; H339-T348 PolarHBondContact O-OG1 2.75Å; H339-L350 HydrophobicContact CB-CD1 4.14Å; H339-L350 HydrophobicContact CB-CD2 3.84Å; H339-L350 HydrophobicContact CB-CG 4.14Å
340	M	98.2	Very high	97.6	Very high	13 Å²	13	60.9 Å²	60.9	6%	0.064	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	126	177.5	177.9	172.4	-75.5	0	0	109.8	I304 I326 E346 L347 I365	I304-M340 HydrophobicContact CD1-CE 3.72Å; I326-M340 HydrophobicContact CD1-CB 4.09Å; I326-M340 HydrophobicContact CG1-CB 3.92Å; I326-M340 HydrophobicContact CG1-CE 4.23Å; I326-M340 HydrophobicContact CG1-SD 4.39Å; M340-E346 CarbonylContact C-O 3.56Å; M340-E346 WeakPolarHBondContact CA-O 3.32Å; M340-L347 HydrophobicContact CE-CD1 4.43Å; M340-I365 HydrophobicContact CE-CD1 3.41Å; M340-I365 VanDerWaalsContact CE-CD1 3.41Å; M340-I365 HydrophobicContact CE-CG1 3.94Å; M340-I365 HydrophobicContact CE-CG2 3.92Å; M340-I365 HydrophobicContact SD-CD1 4.2Å; M340-I365 HydrophobicContact SD-CG2 3.71Å
341	H	98	Very high	97.5	Very high	79 Å²	79	59.4 Å²	59.4	37%	0.366	29%	0.292	S	S	.	.			trans	-70.2	125.6	177.9	-174.1	-90.6	0	0	0	110.8	R343 T344 A345 E346	H341-R343 VanDerWaalsContact C-N 3.25Å; H341-R343 PolarHBondContact ND1-N 3.47Å; H341-R343 PolarHBondContact O-N 3.11Å; H341-R343 VanDerWaalsContact O-N 3.09Å; H341-T344 WeakPolarHBondContact CB-OG1 3.5Å; H341-T344 VanDerWaalsContact CG-OG1 3.3Å; H341-T344 PolarHBondContact ND1-N 2.82Å; H341-T344 PolarHBondContact ND1-OG1 3.35Å; H341-T344 PolarHBondContact O-N 2.79Å; H341-A345 WeakPolarHBondContact O-CA 3.42Å; H341-A345 PolarHBondContact O-N 3.42Å; H341-E346 HydrophobicContact CB-CB 4.1Å; H341-E346 PolarHBondContact N-O 2.98Å
342	P	97.9	Very high	97.5	Very high	57 Å²	57	60 Å²	60	37%	0.37	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.2	-164.9	25.7	-35.6	0	0	0	114.9	L323 Y324	L323-P342 CarbonylContact C-O 3.42Å; L323-P342 VanDerWaalsContact CA-O 3.27Å; L323-P342 WeakPolarHBondContact CA-O 3.2Å; L323-P342 HydrophobicContact CD2-CB 4.24Å; Y324-P342 PolarHBondContact N-O 2.99Å; Y324-P342 WeakPolarHBondContact O-CA 3.48Å
343	R	97	Very high	97.4	Very high	121 Å²	121	51.5 Å²	51.5	46%	0.457	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-24.5	-179.4	-65.3	-64.1	-170.1	-177.1	6.6	114.5	I322 L323 H341 D370	I322-R343 PolarHBondContact O-NH1 3.02Å; I322-R343 VanDerWaalsContact O-NH1 3.16Å; L323-R343 VanDerWaalsContact CD2-CZ 3.47Å; H341-R343 VanDerWaalsContact C-N 3.25Å; H341-R343 PolarHBondContact ND1-N 3.47Å; H341-R343 PolarHBondContact O-N 3.11Å; H341-R343 VanDerWaalsContact O-N 3.09Å; R343-D370 IonicContact CZ-OD2 2.92Å; R343-D370 IonicContact NH1-OD2 3.51Å; R343-D370 PolarHBondContact NH1-OD2 2.94Å; R343-D370 IonicContact NH2-OD2 3.83Å; R343-D370 PolarHBondContact NH2-OD2 2.69Å
344	T	97.2	Very high	97.2	Very high	82 Å²	82	51.3 Å²	51.3	50%	0.503	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-9.1	-173.4	58.2	0	0	0	0	112.4	H341 E346	H341-T344 WeakPolarHBondContact CB-OG1 3.5Å; H341-T344 VanDerWaalsContact CG-OG1 3.3Å; H341-T344 PolarHBondContact ND1-N 2.82Å; H341-T344 PolarHBondContact ND1-OG1 3.35Å; H341-T344 PolarHBondContact O-N 2.79Å; T344-E346 PolarHBondContact O-N 3.27Å; T344-E346 VanDerWaalsContact O-N 3.1Å; T344-E346 WeakPolarHBondContact OG1-CB 3.06Å; T344-E346 PolarHBondContact OG1-N 2.03Å
345	A	97.7	Very high	96.8	Very high	6 Å²	6	53.4 Å²	53.4	5%	0.05	26%	0.264	C	S	.	.			trans	56.1	16.9	-171	0	0	0	0	0	114.2	I304 Y324 H341 L347	I304-A345 HydrophobicContact CB-CB 3.74Å; I304-A345 HydrophobicContact CG2-CB 3.53Å; Y324-A345 HydrophobicContact CD1-CB 3.79Å; Y324-A345 HydrophobicContact CD2-CB 3.87Å; Y324-A345 HydrophobicContact CE1-CB 4.15Å; Y324-A345 HydrophobicContact CE2-CB 4.23Å; Y324-A345 HydrophobicContact CG-CB 3.63Å; H341-A345 WeakPolarHBondContact O-CA 3.42Å; H341-A345 PolarHBondContact O-N 3.42Å; A345-L347 PolarHBondContact O-N 2.83Å
346	E	97.8	Very high	96.2	Very high	90 Å²	90	54.9 Å²	54.9	42%	0.421	27%	0.268	S	S	.	.			trans	-64.3	126.2	176.8	-172.7	178.9	97.9	0	0	109.7	P297 M340 H341 T344	P297-E346 HydrophobicContact CB-CG 3.42Å; P297-E346 VanDerWaalsContact CB-CG 3.42Å; P297-E346 HydrophobicContact CG-CG 4.35Å; M340-E346 CarbonylContact C-O 3.56Å; M340-E346 WeakPolarHBondContact CA-O 3.32Å; H341-E346 HydrophobicContact CB-CB 4.1Å; H341-E346 PolarHBondContact N-O 2.98Å; T344-E346 PolarHBondContact O-N 3.27Å; T344-E346 VanDerWaalsContact O-N 3.1Å; T344-E346 WeakPolarHBondContact OG1-CB 3.06Å; T344-E346 PolarHBondContact OG1-N 2.03Å
347	L	98.2	Very high	95.9	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.9	179.4	-174.1	70.7	0	0	0	109.3	I298 V300 I326 F338 M340 A345 L381 I383	I298-L347 HydrophobicContact CB-CB 4.27Å; I298-L347 HydrophobicContact CB-CD2 4.09Å; I298-L347 HydrophobicContact CB-CG 4.25Å; I298-L347 WeakPolarHBondContact CB-O 3.37Å; I298-L347 HydrophobicContact CG2-CD2 4.01Å; I298-L347 PolarHBondContact N-O 2.81Å; V300-L347 HydrophobicContact CG2-CB 4.23Å; V300-L347 HydrophobicContact CG2-CD2 4.03Å; I326-L347 HydrophobicContact CD1-CD1 4.26Å; F338-L347 HydrophobicContact CB-CD1 4.09Å; F338-L347 HydrophobicContact CD1-CD1 4.42Å; M340-L347 HydrophobicContact CE-CD1 4.43Å; A345-L347 PolarHBondContact O-N 2.83Å; L347-L381 HydrophobicContact CD1-CD2 4.47Å; L347-L381 HydrophobicContact CD2-CD2 3.89Å; L347-I383 HydrophobicContact CD2-CD1 3.98Å
348	T	98	Very high	95.7	Very high	26 Å²	26	56.9 Å²	56.9	16%	0.16	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.1	178.1	55.4	0	0	0	0	110.8	N296 F338 H339	N296-T348 VanDerWaalsContact OD1-CA 3.25Å; N296-T348 WeakPolarHBondContact OD1-CA 3.44Å; F338-T348 WeakPolarHBondContact CA-O 3.47Å; H339-T348 PolarHBondContact N-O 3.43Å; H339-T348 PolarHBondContact O-N 2.91Å; H339-T348 PolarHBondContact O-OG1 2.75Å
349	L	98.1	Very high	95.4	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	135.2	166.7	-172.1	70.8	0	0	0	110.1	I286 P292 L295 N296 I298 F337 F338 E351 V353	I286-L349 HydrophobicContact CD1-CD1 4.36Å; I286-L349 HydrophobicContact CG2-CD2 4.31Å; P292-L349 WeakPolarHBondContact CB-O 3.16Å; L295-L349 HydrophobicContact CD1-CD2 3.94Å; N296-L349 PolarHBondContact ND2-O 2.86Å; N296-L349 PolarHBondContact OD1-N 3.05Å; I298-L349 HydrophobicContact CD1-CB 4.05Å; I298-L349 HydrophobicContact CG1-CB 4.23Å; F337-L349 HydrophobicContact CB-CD1 4.44Å; F337-L349 CarbonylContact O-C 3.2Å; F337-L349 VanDerWaalsContact O-CA 3.27Å; F337-L349 WeakPolarHBondContact O-CA 3.5Å; F338-L349 HydrophobicContact CD1-CD1 4.33Å; F338-L349 HydrophobicContact CE1-CD1 3.8Å; F338-L349 HydrophobicContact CZ-CD1 4.46Å; L349-E351 WeakPolarHBondContact CD1-O 3.43Å; L349-E351 WeakPolarHBondContact CG-O 3.38Å; L349-V353 HydrophobicContact CD1-CG2 3.77Å
350	L	97.7	Very high	95.4	Very high	88 Å²	88	62.2 Å²	62.2	46%	0.461	30%	0.304	S	S	.	.			trans	-101.4	-34.2	-177.4	-64.1	178.3	0	0	0	112.7	P292 R336 F337 H339	P292-L350 WeakPolarHBondContact CG-O 3.27Å; R336-L350 WeakPolarHBondContact O-CB 3.39Å; F337-L350 PolarHBondContact O-N 3.45Å; H339-L350 HydrophobicContact CB-CD1 4.14Å; H339-L350 HydrophobicContact CB-CD2 3.84Å; H339-L350 HydrophobicContact CB-CG 4.14Å
351	E	95.5	Very high	95.4	Very high	64 Å²	64	61.6 Å²	61.6	30%	0.299	30%	0.301	S	S	.	.	S	Bend	trans	-145.3	151.2	176.9	66.2	-174.5	-152.7	0	0	110.4	R336 F337 L349 V353	R336-E351 IonicContact CZ-OE1 3Å; R336-E351 IonicContact NE-OE1 2.97Å; R336-E351 PolarHBondContact NE-OE1 2.99Å; R336-E351 IonicContact NH2-OE1 2.87Å; R336-E351 PolarHBondContact NH2-OE1 2.95Å; F337-E351 HydrophobicContact CD1-CG 3.5Å; F337-E351 HydrophobicContact CE1-CG 3.66Å; F337-E351 WeakPolarHBondContact CE1-OE1 3.34Å; F337-E351 HydrophobicContact CG-CG 4.47Å; L349-E351 WeakPolarHBondContact CD1-O 3.43Å; L349-E351 WeakPolarHBondContact CG-O 3.38Å; E351-V353 PolarHBondContact O-N 2.81Å
352	P	95.7	Very high	95.4	Very high	57 Å²	57	60.9 Å²	60.9	37%	0.37	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-55.4	138.9	174.4	-22.4	31.8	0	0	0	111.7	R290	R290-P352 WeakPolarHBondContact O-CA 3.33Å; R290-P352 WeakPolarHBondContact O-CB 3.45Å
353	V	95.1	Very high	95.4	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-96	129.6	178	-168.4	0	0	0	0	108.8	E288 L289 F337 L349 E351 H358 F361 I385	E288-V353 CarbonylContact C-O 3.55Å; E288-V353 VanDerWaalsContact CA-O 3.29Å; E288-V353 WeakPolarHBondContact CA-O 3.47Å; E288-V353 WeakPolarHBondContact CB-O 3.35Å; L289-V353 PolarHBondContact N-O 3.06Å; F337-V353 HydrophobicContact CD1-CG2 3.78Å; F337-V353 HydrophobicContact CE1-CG1 4.47Å; F337-V353 HydrophobicContact CE1-CG2 4.3Å; F337-V353 HydrophobicContact CG-CG2 4.36Å; L349-V353 HydrophobicContact CD1-CG2 3.77Å; E351-V353 PolarHBondContact O-N 2.81Å; V353-H358 HydrophobicContact CG1-CB 3.68Å; V353-F361 HydrophobicContact CG1-CE2 4.08Å; V353-F361 HydrophobicContact CG1-CZ 4.46Å; V353-I385 HydrophobicContact CB-CD1 4.16Å; V353-I385 HydrophobicContact CB-CG2 4.36Å; V353-I385 HydrophobicContact CG1-CD1 3.93Å; V353-I385 HydrophobicContact CG1-CG1 3.92Å; V353-I385 HydrophobicContact CG1-CG2 4.13Å; V353-I385 HydrophobicContact CG2-CD1 4.16Å
354	N	91.8	Very high	95.5	Very high	44 Å²	44	54.6 Å²	54.6	24%	0.235	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-97.6	123.6	171.3	175.4	-42.9	0	0	0	108.7	L289 D356 F357 H358	L289-N354 HydrophobicContact CD2-CB 3.83Å; N354-D356 VanDerWaalsContact C-N 3.29Å; N354-D356 PolarHBondContact O-N 2.74Å; N354-D356 WeakPolarHBondContact OD1-CA 3.47Å; N354-D356 WeakPolarHBondContact OD1-CB 3.39Å; N354-D356 PolarHBondContact OD1-N 2.86Å; N354-F357 HydrophobicContact CB-CD2 3.93Å; N354-F357 PolarHBondContact O-N 3.29Å; N354-H358 PolarHBondContact O-N 2.82Å
355	R	89.6	Confident	95.5	Very high	80 Å²	80	50.7 Å²	50.7	30%	0.302	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.6	-172.3	-167.8	174.7	177.4	-90	-0.9	113.5	E288 F357 H358 Q359 I385 D387	E288-R355 HydrophobicContact CB-CB 3.99Å; E288-R355 HydrophobicContact CG-CB 4.28Å; E288-R355 VanDerWaalsContact OE1-CB 3.32Å; E288-R355 WeakPolarHBondContact OE1-CB 3.33Å; E288-R355 WeakPolarHBondContact OE2-CB 3.43Å; E288-R355 PolarHBondContact OE2-N 2.98Å; R355-F357 PolarHBondContact O-N 2.84Å; R355-H358 PolarHBondContact O-N 2.82Å; R355-Q359 HydrophobicContact CG-CG 4.48Å; R355-Q359 PolarHBondContact O-NE2 2.68Å; R355-I385 HydrophobicContact CB-CG2 3.95Å; R355-I385 WeakPolarHBondContact CD-O 3.37Å; R355-I385 HydrophobicContact CG-CB 4.41Å; R355-I385 HydrophobicContact CG-CG2 4.07Å; R355-I385 PolarHBondContact NE-O 2.71Å; R355-D387 VanDerWaalsContact CD-CA 3.5Å; R355-D387 IonicContact CZ-OD2 3.28Å; R355-D387 IonicContact NH1-OD2 3.08Å; R355-D387 PolarHBondContact NH1-OD2 2.67Å
356	D	85.2	Confident	95.5	Very high	102 Å²	102	52.1 Å²	52.1	55%	0.545	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.7	173.9	-67.1	-34.9	0	0	0	111.5	N354 Q359	N354-D356 VanDerWaalsContact C-N 3.29Å; N354-D356 PolarHBondContact O-N 2.74Å; N354-D356 WeakPolarHBondContact OD1-CA 3.47Å; N354-D356 WeakPolarHBondContact OD1-CB 3.39Å; N354-D356 PolarHBondContact OD1-N 2.86Å; D356-Q359 PolarHBondContact O-NE2 3.16Å
357	F	91.8	Very high	95.6	Very high	154 Å²	154	47.9 Å²	47.9	68%	0.675	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	-34.2	180	-58.6	-74.9	0	0	0	112.9	N354 R355	N354-F357 HydrophobicContact CB-CD2 3.93Å; N354-F357 PolarHBondContact O-N 3.29Å; R355-F357 PolarHBondContact O-N 2.84Å
358	H	93.7	Very high	95.6	Very high	26 Å²	26	49.8 Å²	49.8	12%	0.12	24%	0.244	C	C	.	.			trans	-136.8	99	-173.3	-60.2	89.9	0	0	0	110.7	D333 F337 V353 N354 R355 F361 I385	D333-H358 IonicContact OD1-CD2 3.28Å; D333-H358 IonicContact OD1-NE2 2.84Å; D333-H358 PolarHBondContact OD1-NE2 3.44Å; D333-H358 IonicContact OD2-CD2 3.87Å; D333-H358 IonicContact OD2-CE1 3.98Å; D333-H358 PolarHBondContact OD2-CE1 3.47Å; D333-H358 IonicContact OD2-NE2 3.83Å; D333-H358 PolarHBondContact OD2-NE2 2.72Å; F337-H358 AromaticContact CE2-CD2 3.95Å; F337-H358 AromaticContact CE2-CE1 3.62Å; F337-H358 AromaticContact CE2-NE2 3.53Å; F337-H358 AromaticContact CZ-CE1 3.49Å; F337-H358 VanDerWaalsContact CZ-CE1 3.49Å; F337-H358 WeakPolarHBondContact CZ-CE1 3.1Å; F337-H358 AromaticContact CZ-ND1 3.73Å; F337-H358 AromaticContact CZ-NE2 3.91Å; V353-H358 HydrophobicContact CG1-CB 3.68Å; N354-H358 PolarHBondContact O-N 2.82Å; R355-H358 PolarHBondContact O-N 2.82Å; H358-F361 HydrophobicContact CB-CE2 3.91Å; H358-F361 HydrophobicContact CB-CZ 3.76Å; H358-F361 AromaticContact CD2-CE1 3.88Å; H358-F361 AromaticContact CD2-CZ 3.55Å; H358-F361 AromaticContact CG-CZ 3.81Å; H358-I385 WeakPolarHBondContact O-CB 3.24Å; H358-I385 VanDerWaalsContact O-CG1 3.25Å; H358-I385 WeakPolarHBondContact O-CG1 3.43Å
359	Q	92.2	Very high	95.6	Very high	104 Å²	104	48.8 Å²	48.8	49%	0.486	24%	0.237	S	C	.	.	S	Bend	trans	-81.4	-26.8	178.5	-60.5	82.6	52.3	0	0	113.2	R355 D356 I385	R355-Q359 HydrophobicContact CG-CG 4.48Å; R355-Q359 PolarHBondContact O-NE2 2.68Å; D356-Q359 PolarHBondContact O-NE2 3.16Å; Q359-I385 WeakPolarHBondContact O-CB 3.09Å; Q359-I385 PolarHBondContact O-N 2.98Å
360	K	96.4	Very high	95.5	Very high	107 Å²	107	51.6 Å²	51.6	47%	0.465	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	162.6	-177	61.1	171.4	-176.5	160.4	0	112.7	P331 D362 I383	P331-K360 VanDerWaalsContact CD-O 3.3Å; P331-K360 WeakPolarHBondContact CD-O 3.35Å; K360-D362 IonicContact NZ-OD2 3.74Å; K360-D362 PolarHBondContact NZ-OD2 3.04Å; K360-I383 CarbonylContact C-O 3.6Å; K360-I383 VanDerWaalsContact CA-O 3.22Å; K360-I383 WeakPolarHBondContact CA-O 3.31Å; K360-I383 WeakPolarHBondContact CB-O 3.21Å
361	F	98.3	Very high	95.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.6	169.3	-60.1	-99.1	0	0	0	111.1	T330 F337 F338 V353 H358 L363 I383 I385	T330-F361 WeakPolarHBondContact O-CA 3.35Å; F337-F361 HydrophobicContact CB-CZ 4.5Å; F337-F361 AromaticContact CD2-CE1 3.75Å; F337-F361 HydrophobicContact CD2-CE1 3.75Å; F337-F361 AromaticContact CD2-CZ 3.52Å; F337-F361 HydrophobicContact CD2-CZ 3.52Å; F337-F361 HydrophobicContact CE2-CE1 4.22Å; F337-F361 AromaticContact CE2-CZ 3.87Å; F337-F361 HydrophobicContact CE2-CZ 3.87Å; F337-F361 HydrophobicContact CG-CZ 4.06Å; F338-F361 HydrophobicContact CD2-CD1 4.46Å; F338-F361 HydrophobicContact CD2-CG 4.46Å; F338-F361 HydrophobicContact CE2-CB 4.09Å; F338-F361 AromaticContact CE2-CD1 3.77Å; F338-F361 HydrophobicContact CE2-CD1 3.77Å; F338-F361 AromaticContact CE2-CD2 3.49Å; F338-F361 HydrophobicContact CE2-CD2 3.49Å; F338-F361 VanDerWaalsContact CE2-CD2 3.49Å; F338-F361 HydrophobicContact CE2-CE1 4.01Å; F338-F361 AromaticContact CE2-CE2 3.75Å; F338-F361 HydrophobicContact CE2-CE2 3.75Å; F338-F361 AromaticContact CE2-CG 3.51Å; F338-F361 HydrophobicContact CE2-CG 3.51Å; F338-F361 AromaticContact CE2-CZ 3.99Å; F338-F361 HydrophobicContact CE2-CZ 3.99Å; F338-F361 AromaticContact CZ-CD2 3.77Å; F338-F361 HydrophobicContact CZ-CD2 3.77Å; F338-F361 AromaticContact CZ-CE2 3.96Å; F338-F361 HydrophobicContact CZ-CE2 3.96Å; F338-F361 HydrophobicContact CZ-CG 4.23Å; V353-F361 HydrophobicContact CG1-CE2 4.08Å; V353-F361 HydrophobicContact CG1-CZ 4.46Å; H358-F361 HydrophobicContact CB-CE2 3.91Å; H358-F361 HydrophobicContact CB-CZ 3.76Å; H358-F361 AromaticContact CD2-CE1 3.88Å; H358-F361 AromaticContact CD2-CZ 3.55Å; H358-F361 AromaticContact CG-CZ 3.81Å; F361-L363 HydrophobicContact CB-CD2 4.17Å; F361-L363 HydrophobicContact CB-CG 4.38Å; F361-I383 HydrophobicContact CB-CB 4.18Å; F361-I383 HydrophobicContact CB-CD1 4.47Å; F361-I383 PolarHBondContact N-O 3Å; F361-I383 PolarHBondContact O-N 2.83Å; F361-I385 HydrophobicContact CD2-CD1 4.19Å; F361-I385 HydrophobicContact CD2-CG1 4.36Å; F361-I385 HydrophobicContact CE2-CD1 4.05Å; F361-I385 HydrophobicContact CE2-CG1 4.16Å
362	D	98.4	Very high	95.4	Very high	65 Å²	65	50.5 Å²	50.5	35%	0.348	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	104.5	175.4	-73.8	-59.5	0	0	0	108.3	G329 T330 K360 H382	G329-D362 CarbonylContact C-O 3.58Å; G329-D362 VanDerWaalsContact CA-O 3.26Å; G329-D362 WeakPolarHBondContact CA-O 3.22Å; T330-D362 PolarHBondContact N-O 2.89Å; T330-D362 PolarHBondContact O-N 3.23Å; K360-D362 IonicContact NZ-OD2 3.74Å; K360-D362 PolarHBondContact NZ-OD2 3.04Å; D362-H382 IonicContact OD1-CE1 2.69Å; D362-H382 IonicContact OD1-CG 2.88Å; D362-H382 IonicContact OD1-ND1 4Å; D362-H382 PolarHBondContact OD1-ND1 2.83Å
363	L	98.3	Very high	95.4	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	155.4	-173.2	-49.3	-176.2	0	0	0	111.8	I326 Y334 F338 F361 I365 S380 L381 I383	I326-L363 HydrophobicContact CD1-CD1 4.24Å; I326-L363 HydrophobicContact CG2-CB 4.16Å; I326-L363 HydrophobicContact CG2-CD1 4.23Å; Y334-L363 HydrophobicContact CD1-CD2 4.12Å; Y334-L363 HydrophobicContact CD2-CD2 4.06Å; Y334-L363 HydrophobicContact CG-CD2 3.66Å; F338-L363 HydrophobicContact CD2-CD1 4.27Å; F361-L363 HydrophobicContact CB-CD2 4.17Å; F361-L363 HydrophobicContact CB-CG 4.38Å; L363-I365 HydrophobicContact CB-CD1 4.46Å; L363-S380 CarbonylContact O-C 3.57Å; L363-S380 WeakPolarHBondContact O-CA 3.42Å; L363-L381 HydrophobicContact CB-CB 4.26Å; L363-L381 HydrophobicContact CD1-CD2 4.19Å; L363-L381 PolarHBondContact N-O 3.14Å; L363-L381 PolarHBondContact O-N 2.94Å; L363-I383 HydrophobicContact CD1-CD1 3.76Å; L363-I383 HydrophobicContact CG-CD1 4.46Å
364	V	98.3	Very high	95.5	Very high	43 Å²	43	56.3 Å²	56.3	26%	0.261	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.6	170.3	-179.1	0	0	0	0	108.9	L327 V328 F378 A379	L327-V364 WeakPolarHBondContact CB-O 3.1Å; L327-V364 HydrophobicContact CD2-CG1 4.4Å; L327-V364 PolarHBondContact N-O 2.79Å; V328-V364 HydrophobicContact CG2-CB 3.82Å; V328-V364 HydrophobicContact CG2-CG2 3.84Å; V328-V364 PolarHBondContact O-N 3.01Å; V364-F378 HydrophobicContact CG1-CB 4.26Å; V364-F378 HydrophobicContact CG1-CD1 4.37Å; V364-A379 CarbonylContact C-O 3.6Å; V364-A379 WeakPolarHBondContact CA-O 3.29Å
365	I	98.1	Very high	95.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.8	177.7	-51	-49.7	0	0	0	109.1	F265 S325 I326 M340 L363 F378 A379 L381	F265-I365 HydrophobicContact CE1-CG2 4.28Å; F265-I365 HydrophobicContact CZ-CB 4.33Å; F265-I365 HydrophobicContact CZ-CG2 3.99Å; S325-I365 WeakPolarHBondContact O-CA 3.25Å; I326-I365 HydrophobicContact CB-CD1 4.32Å; I326-I365 HydrophobicContact CG1-CD1 3.77Å; I326-I365 HydrophobicContact CG2-CD1 4.37Å; M340-I365 HydrophobicContact CE-CD1 3.41Å; M340-I365 VanDerWaalsContact CE-CD1 3.41Å; M340-I365 HydrophobicContact CE-CG1 3.94Å; M340-I365 HydrophobicContact CE-CG2 3.92Å; M340-I365 HydrophobicContact SD-CD1 4.2Å; M340-I365 HydrophobicContact SD-CG2 3.71Å; L363-I365 HydrophobicContact CB-CD1 4.46Å; I365-F378 VanDerWaalsContact O-CA 3.32Å; I365-F378 WeakPolarHBondContact O-CA 3.29Å; I365-A379 PolarHBondContact N-O 2.78Å; I365-A379 PolarHBondContact O-N 3.32Å; I365-L381 HydrophobicContact CD1-CB 4.2Å; I365-L381 HydrophobicContact CD1-CD2 4.04Å; I365-L381 HydrophobicContact CG1-CB 3.88Å; I365-L381 HydrophobicContact CG1-CD2 4.35Å
366	K	98.3	Very high	96.1	Very high	36 Å²	36	56.2 Å²	56.2	16%	0.157	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.6	174.9	-178.4	-174.9	67.3	155.3	0	109.8	Y324 S325 L327 E368 P376 A377 F378	Y324-K366 CarbonylContact C-O 3.53Å; Y324-K366 WeakPolarHBondContact CA-O 3.34Å; S325-K366 PolarHBondContact N-O 2.86Å; S325-K366 PolarHBondContact O-N 2.97Å; S325-K366 WeakPolarHBondContact OG-CE 3.38Å; L327-K366 HydrophobicContact CB-CB 4.23Å; L327-K366 HydrophobicContact CD1-CD 4.39Å; K366-E368 VanDerWaalsContact CE-OE2 3.31Å; K366-E368 WeakPolarHBondContact CE-OE2 3.4Å; K366-E368 IonicContact NZ-OE1 2.9Å; K366-E368 PolarHBondContact NZ-OE1 3.17Å; K366-E368 IonicContact NZ-OE2 3.88Å; K366-E368 PolarHBondContact NZ-OE2 3.16Å; K366-P376 HydrophobicContact CD-CB 3.98Å; K366-P376 HydrophobicContact CG-CB 3.85Å; K366-A377 WeakPolarHBondContact CA-O 3.07Å; K366-F378 HydrophobicContact CB-CD1 4.17Å; K366-F378 HydrophobicContact CB-CE1 4.18Å; K366-F378 HydrophobicContact CD-CE1 4.1Å; K366-F378 HydrophobicContact CG-CD1 4.2Å; K366-F378 HydrophobicContact CG-CE1 3.82Å
367	A	98.4	Very high	96.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.3	167.4	0	0	0	0	0	108.9	P263 F265 A306 I322 L323 Y324 P376 A377	P263-A367 HydrophobicContact CB-CB 4.32Å; F265-A367 HydrophobicContact CE1-CB 3.89Å; F265-A367 HydrophobicContact CE2-CB 4Å; F265-A367 HydrophobicContact CZ-CB 3.5Å; A306-A367 HydrophobicContact CB-CB 3.76Å; I322-A367 HydrophobicContact CG2-CB 3.96Å; L323-A367 WeakPolarHBondContact O-CA 3.42Å; Y324-A367 HydrophobicContact CD1-CB 3.96Å; Y324-A367 HydrophobicContact CE1-CB 3.9Å; A367-P376 CarbonylContact O-C 3.47Å; A367-P376 WeakPolarHBondContact O-CA 3.48Å; A367-A377 PolarHBondContact N-O 2.72Å; A367-A377 PolarHBondContact O-N 3.4Å
368	E	98.1	Very high	97	Very high	42 Å²	42	50.3 Å²	50.3	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	158	-177.2	73.5	-173.1	167.3	0	0	111.9	I322 L323 K366 P374 P376	I322-E368 CarbonylContact C-O 3.55Å; I322-E368 WeakPolarHBondContact CA-O 3.38Å; L323-E368 HydrophobicContact CB-CG 4.2Å; L323-E368 PolarHBondContact N-O 3.28Å; L323-E368 PolarHBondContact O-N 3.45Å; K366-E368 VanDerWaalsContact CE-OE2 3.31Å; K366-E368 WeakPolarHBondContact CE-OE2 3.4Å; K366-E368 IonicContact NZ-OE1 2.9Å; K366-E368 PolarHBondContact NZ-OE1 3.17Å; K366-E368 IonicContact NZ-OE2 3.88Å; K366-E368 PolarHBondContact NZ-OE2 3.16Å; E368-P374 CarbonylContact C-O 3.59Å; E368-P374 VanDerWaalsContact CA-O 3.29Å; E368-P374 WeakPolarHBondContact CA-O 3.48Å; E368-P374 HydrophobicContact CB-CB 3.95Å; E368-P374 VanDerWaalsContact CB-O 3.29Å; E368-P374 WeakPolarHBondContact CB-O 3.46Å; E368-P374 HydrophobicContact CG-CB 4.25Å; E368-P376 HydrophobicContact CB-CB 4.09Å
369	Q	98.3	Very high	97.2	Very high	5 Å²	5	49.3 Å²	49.3	2%	0.023	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	148	176.4	-73.1	165.3	-150.3	0	0	112.4	D259 L261 P263 P320 G321 H373 P374	D259-Q369 VanDerWaalsContact CG-NE2 3.28Å; D259-Q369 PolarHBondContact OD1-NE2 3.01Å; D259-Q369 PolarHBondContact OD2-NE2 2.84Å; L261-Q369 PolarHBondContact O-OE1 2.94Å; P263-Q369 HydrophobicContact CG-CG 4.16Å; P320-Q369 HydrophobicContact CB-CB 3.83Å; P320-Q369 HydrophobicContact CB-CG 3.75Å; P320-Q369 HydrophobicContact CG-CB 4.15Å; P320-Q369 HydrophobicContact CG-CG 3.53Å; G321-Q369 WeakPolarHBondContact O-CA 3.4Å; Q369-H373 WeakPolarHBondContact CB-O 3.4Å; Q369-H373 PolarHBondContact NE2-O 3.25Å; Q369-H373 VanDerWaalsContact NE2-O 3.15Å; Q369-P374 PolarHBondContact N-O 2.92Å
370	D	97.2	Very high	97.4	Very high	63 Å²	63	47 Å²	47	34%	0.337	26%	0.263	S	S	.	.	S	Bend	trans	-98.9	8.9	-177.3	70.7	-3.4	0	0	0	115.2	G321 L323 R343	G321-D370 WeakPolarHBondContact CA-OD1 3.26Å; G321-D370 WeakPolarHBondContact CA-OD2 3.28Å; G321-D370 PolarHBondContact N-OD1 3.07Å; G321-D370 VanDerWaalsContact O-CG 3.3Å; G321-D370 PolarHBondContact O-N 2.86Å; L323-D370 HydrophobicContact CD1-CB 3.77Å; L323-D370 HydrophobicContact CG-CB 3.96Å; R343-D370 IonicContact CZ-OD2 2.92Å; R343-D370 IonicContact NH1-OD2 3.51Å; R343-D370 PolarHBondContact NH1-OD2 2.94Å; R343-D370 IonicContact NH2-OD2 3.83Å; R343-D370 PolarHBondContact NH2-OD2 2.69Å
371	N	96.2	Very high	97.5	Very high	64 Å²	64	41.9 Å²	41.9	34%	0.342	24%	0.242	S	C	.	.	S	Bend	trans	-94.9	6.7	-175.8	68.1	-6.4	0	0	0	114.3	D259 P320 H373	D259-N371 PolarHBondContact OD2-ND2 2.77Å; P320-N371 HydrophobicContact CB-CB 4.1Å; N371-H373 PolarHBondContact OD1-N 3.11Å; N371-H373 PolarHBondContact OD1-O 3.11Å
372	G	94.7	Very high	97.5	Very high	65 Å²	65	43.9 Å²	43.9	67%	0.67	25%	0.251	S	S	*	.	S	Bend	trans	93.7	-7.7	-177.6	0	0	0	0	0	114.8	P374	G372-P374 WeakPolarHBondContact O-CD 3.49Å
373	H	95.4	Very high	97.5	Very high	122 Å²	122	40.8 Å²	40.8	57%	0.565	23%	0.234	S	C	*	.			trans	-112.1	78	171.7	-66	-85	0	0	0	109.1	Q369 N371 L375	Q369-H373 WeakPolarHBondContact CB-O 3.4Å; Q369-H373 PolarHBondContact NE2-O 3.25Å; Q369-H373 VanDerWaalsContact NE2-O 3.15Å; N371-H373 PolarHBondContact OD1-N 3.11Å; N371-H373 PolarHBondContact OD1-O 3.11Å; H373-L375 PolarHBondContact O-N 3.22Å
374	P	96.1	Very high	97.4	Very high	57 Å²	57	45.5 Å²	45.5	37%	0.37	26%	0.256	S	S	.	.			trans	-65.4	-33.5	-160.9	23	-34.3	0	0	0	115	E368 Q369 G372	E368-P374 CarbonylContact C-O 3.59Å; E368-P374 VanDerWaalsContact CA-O 3.29Å; E368-P374 WeakPolarHBondContact CA-O 3.48Å; E368-P374 HydrophobicContact CB-CB 3.95Å; E368-P374 VanDerWaalsContact CB-O 3.29Å; E368-P374 WeakPolarHBondContact CB-O 3.46Å; E368-P374 HydrophobicContact CG-CB 4.25Å; Q369-P374 PolarHBondContact N-O 2.92Å; G372-P374 WeakPolarHBondContact O-CD 3.49Å
375	L	97.1	Very high	97.3	Very high	65 Å²	65	43.5 Å²	43.5	34%	0.34	24%	0.244	S	C	.	.			trans	36.9	63.6	178.7	-60.9	174	0	0	0	113.1	G262 P263 H373	G262-L375 WeakPolarHBondContact CA-O 3.3Å; P263-L375 WeakPolarHBondContact CD-O 3.41Å; H373-L375 PolarHBondContact O-N 3.22Å
376	P	97.5	Very high	96.9	Very high	57 Å²	57	46.7 Å²	46.7	37%	0.37	26%	0.26	S	S	.	.			trans	-74.1	145.3	-164.1	29.9	-36.5	0	0	0	113.9	K366 A367 E368 F378	K366-P376 HydrophobicContact CD-CB 3.98Å; K366-P376 HydrophobicContact CG-CB 3.85Å; A367-P376 CarbonylContact O-C 3.47Å; A367-P376 WeakPolarHBondContact O-CA 3.48Å; E368-P376 HydrophobicContact CB-CB 4.09Å; P376-F378 HydrophobicContact CB-CE1 4.25Å; P376-F378 HydrophobicContact CB-CE2 4.49Å; P376-F378 HydrophobicContact CB-CZ 3.9Å; P376-F378 HydrophobicContact CG-CE2 4.33Å; P376-F378 HydrophobicContact CG-CZ 3.81Å
377	A	97.5	Very high	96.1	Very high	18 Å²	18	47 Å²	47	15%	0.149	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	155.8	163.2	0	0	0	0	0	111.9	P263 F265 K366 A367	P263-A377 WeakPolarHBondContact O-CB 3.5Å; F265-A377 HydrophobicContact CD2-CB 4.07Å; F265-A377 HydrophobicContact CE2-CB 4.14Å; F265-A377 WeakPolarHBondContact CE2-O 3.35Å; K366-A377 WeakPolarHBondContact CA-O 3.07Å; A367-A377 PolarHBondContact N-O 2.72Å; A367-A377 PolarHBondContact O-N 3.4Å
378	F	97.8	Very high	95	Very high	115 Å²	115	49.7 Å²	49.7	50%	0.504	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.3	-176.6	-51.1	-75.2	0	0	0	111.8	F265 L327 V364 I365 K366 P376	F265-F378 VanDerWaalsContact CE2-C 3.45Å; L327-F378 HydrophobicContact CD2-CD1 3.94Å; L327-F378 HydrophobicContact CD2-CE1 3.67Å; V364-F378 HydrophobicContact CG1-CB 4.26Å; V364-F378 HydrophobicContact CG1-CD1 4.37Å; I365-F378 VanDerWaalsContact O-CA 3.32Å; I365-F378 WeakPolarHBondContact O-CA 3.29Å; K366-F378 HydrophobicContact CB-CD1 4.17Å; K366-F378 HydrophobicContact CB-CE1 4.18Å; K366-F378 HydrophobicContact CD-CE1 4.1Å; K366-F378 HydrophobicContact CG-CD1 4.2Å; K366-F378 HydrophobicContact CG-CE1 3.82Å; P376-F378 HydrophobicContact CB-CE1 4.25Å; P376-F378 HydrophobicContact CB-CE2 4.49Å; P376-F378 HydrophobicContact CB-CZ 3.9Å; P376-F378 HydrophobicContact CG-CE2 4.33Å; P376-F378 HydrophobicContact CG-CZ 3.81Å
379	A	98	Very high	94.1	Very high	5 Å²	5	48.3 Å²	48.3	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.2	171.3	0	0	0	0	0	110.3	F265 Y282 V364 I365	F265-A379 HydrophobicContact CB-CB 4.45Å; F265-A379 HydrophobicContact CD1-CB 4.25Å; F265-A379 HydrophobicContact CD2-CB 3.53Å; F265-A379 HydrophobicContact CE1-CB 4.37Å; F265-A379 HydrophobicContact CE2-CB 3.68Å; F265-A379 HydrophobicContact CG-CB 3.83Å; F265-A379 HydrophobicContact CZ-CB 4.1Å; Y282-A379 HydrophobicContact CD2-CB 3.94Å; Y282-A379 HydrophobicContact CE2-CB 3.6Å; V364-A379 CarbonylContact C-O 3.6Å; V364-A379 WeakPolarHBondContact CA-O 3.29Å; I365-A379 PolarHBondContact N-O 2.78Å; I365-A379 PolarHBondContact O-N 3.32Å
380	S	98.1	Very high	92.9	Very high	54 Å²	54	50 Å²	50	38%	0.378	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	145.6	175.5	-59.5	0	0	0	0	110.4	L280 T281 Y282 L363	L280-S380 PolarHBondContact O-N 3.22Å; T281-S380 CarbonylContact C-O 3.42Å; T281-S380 WeakPolarHBondContact CA-O 3.17Å; Y282-S380 PolarHBondContact N-O 3.15Å; L363-S380 CarbonylContact O-C 3.57Å; L363-S380 WeakPolarHBondContact O-CA 3.42Å
381	L	98.4	Very high	92	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	115.1	171	167.8	64.1	0	0	0	108.5	Y282 A284 V300 I304 L347 L363 I365 I383	Y282-L381 WeakPolarHBondContact O-CA 3.5Å; A284-L381 HydrophobicContact CB-CD1 4.42Å; V300-L381 HydrophobicContact CG1-CD1 3.73Å; V300-L381 HydrophobicContact CG2-CD1 4.33Å; I304-L381 HydrophobicContact CD1-CD2 4.47Å; L347-L381 HydrophobicContact CD1-CD2 4.47Å; L347-L381 HydrophobicContact CD2-CD2 3.89Å; L363-L381 HydrophobicContact CB-CB 4.26Å; L363-L381 HydrophobicContact CD1-CD2 4.19Å; L363-L381 PolarHBondContact N-O 3.14Å; L363-L381 PolarHBondContact O-N 2.94Å; I365-L381 HydrophobicContact CD1-CB 4.2Å; I365-L381 HydrophobicContact CD1-CD2 4.04Å; I365-L381 HydrophobicContact CG1-CB 3.88Å; I365-L381 HydrophobicContact CG1-CD2 4.35Å; L381-I383 HydrophobicContact CD1-CG1 4.35Å; L381-I383 HydrophobicContact CD2-CD1 4.19Å; L381-I383 HydrophobicContact CD2-CG1 4.35Å; L381-I383 HydrophobicContact CG-CD1 4.38Å; L381-I383 HydrophobicContact CG-CG1 4Å
382	H	98.3	Very high	91.4	Very high	41 Å²	41	49.3 Å²	49.3	19%	0.19	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.3	174.7	-176.2	76.9	0	0	0	109.6	T281 Y282 Q283 A284 D362	T281-H382 HydrophobicContact CG2-CB 4.27Å; Y282-H382 PolarHBondContact O-N 2.68Å; Q283-H382 CarbonylContact C-O 3.51Å; Q283-H382 WeakPolarHBondContact CA-O 3.17Å; Q283-H382 PolarHBondContact OE1-CD2 3.46Å; A284-H382 PolarHBondContact N-O 3.31Å; D362-H382 IonicContact OD1-CE1 2.69Å; D362-H382 IonicContact OD1-CG 2.88Å; D362-H382 IonicContact OD1-ND1 4Å; D362-H382 PolarHBondContact OD1-ND1 2.83Å
383	I	98.2	Very high	91.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	117.6	179	-49.1	-179.6	0	0	0	108.2	A284 I286 F338 L347 K360 F361 L363 L381 I385	A284-I383 HydrophobicContact CB-CG1 4.31Å; A284-I383 HydrophobicContact CB-CG2 4.39Å; A284-I383 WeakPolarHBondContact O-CA 3.4Å; I286-I383 HydrophobicContact CD1-CG2 3.61Å; I286-I383 HydrophobicContact CG1-CG2 3.88Å; F338-I383 HydrophobicContact CD1-CD1 4.06Å; F338-I383 HydrophobicContact CD2-CD1 4.15Å; F338-I383 HydrophobicContact CE1-CD1 3.82Å; F338-I383 HydrophobicContact CE1-CG2 4.46Å; F338-I383 HydrophobicContact CE2-CD1 3.9Å; F338-I383 HydrophobicContact CG-CD1 4.23Å; F338-I383 HydrophobicContact CZ-CD1 3.72Å; F338-I383 HydrophobicContact CZ-CG2 4.12Å; L347-I383 HydrophobicContact CD2-CD1 3.98Å; K360-I383 CarbonylContact C-O 3.6Å; K360-I383 VanDerWaalsContact CA-O 3.22Å; K360-I383 WeakPolarHBondContact CA-O 3.31Å; K360-I383 WeakPolarHBondContact CB-O 3.21Å; F361-I383 HydrophobicContact CB-CB 4.18Å; F361-I383 HydrophobicContact CB-CD1 4.47Å; F361-I383 PolarHBondContact N-O 3Å; F361-I383 PolarHBondContact O-N 2.83Å; L363-I383 HydrophobicContact CD1-CD1 3.76Å; L363-I383 HydrophobicContact CG-CD1 4.46Å; L381-I383 HydrophobicContact CD1-CG1 4.35Å; L381-I383 HydrophobicContact CD2-CD1 4.19Å; L381-I383 HydrophobicContact CD2-CG1 4.35Å; L381-I383 HydrophobicContact CG-CD1 4.38Å; L381-I383 HydrophobicContact CG-CG1 4Å; I383-I385 HydrophobicContact CG2-CD1 4.33Å
384	E	96.5	Very high	91	Very high	102 Å²	102	45.2 Å²	45.2	48%	0.477	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	133	176	-170.6	175.7	-171.5	0	0	110.4	A284 A285 I286 L386	A284-E384 PolarHBondContact O-N 3.18Å; A285-E384 CarbonylContact C-O 3.58Å; A285-E384 WeakPolarHBondContact CA-O 3.18Å; I286-E384 PolarHBondContact N-O 3.26Å; E384-L386 HydrophobicContact CG-CD2 4.17Å
385	I	94.9	Very high	90.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	113.2	173.8	-51.8	-55.3	0	0	0	108.5	I286 E288 V353 R355 H358 Q359 F361 I383	I286-I385 HydrophobicContact CB-CD1 3.95Å; I286-I385 HydrophobicContact CG2-CD1 4.34Å; I286-I385 CarbonylContact O-C 3.53Å; I286-I385 WeakPolarHBondContact O-CA 3.12Å; E288-I385 HydrophobicContact CB-CG2 3.85Å; V353-I385 HydrophobicContact CB-CD1 4.16Å; V353-I385 HydrophobicContact CB-CG2 4.36Å; V353-I385 HydrophobicContact CG1-CD1 3.93Å; V353-I385 HydrophobicContact CG1-CG1 3.92Å; V353-I385 HydrophobicContact CG1-CG2 4.13Å; V353-I385 HydrophobicContact CG2-CD1 4.16Å; R355-I385 HydrophobicContact CB-CG2 3.95Å; R355-I385 WeakPolarHBondContact CD-O 3.37Å; R355-I385 HydrophobicContact CG-CB 4.41Å; R355-I385 HydrophobicContact CG-CG2 4.07Å; R355-I385 PolarHBondContact NE-O 2.71Å; H358-I385 WeakPolarHBondContact O-CB 3.24Å; H358-I385 VanDerWaalsContact O-CG1 3.25Å; H358-I385 WeakPolarHBondContact O-CG1 3.43Å; Q359-I385 WeakPolarHBondContact O-CB 3.09Å; Q359-I385 PolarHBondContact O-N 2.98Å; F361-I385 HydrophobicContact CD2-CD1 4.19Å; F361-I385 HydrophobicContact CD2-CG1 4.36Å; F361-I385 HydrophobicContact CE2-CD1 4.05Å; F361-I385 HydrophobicContact CE2-CG1 4.16Å; I383-I385 HydrophobicContact CG2-CD1 4.33Å
386	L	89.6	Confident	90.5	Very high	67 Å²	67	44 Å²	44	35%	0.351	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	135.4	-176.5	-52.2	177	0	0	0	109.8	A285 I286 E288 E384	A285-L386 HydrophobicContact CB-CD1 3.97Å; A285-L386 HydrophobicContact CB-CD2 4.21Å; A285-L386 HydrophobicContact CB-CG 4.12Å; I286-L386 PolarHBondContact O-N 2.63Å; E288-L386 WeakPolarHBondContact CB-O 3.4Å; E288-L386 PolarHBondContact N-O 2.79Å; E384-L386 HydrophobicContact CG-CD2 4.17Å
387	D	82.2	Confident	90.2	Very high	44 Å²	44	46.4 Å²	46.4	24%	0.235	24%	0.238	C	C	.	.			trans	-71.6	133.4	179	-156.3	-37.6	0	0	0	110.4	E288 R355 I433	E288-D387 WeakPolarHBondContact OE1-CA 3.21Å; R355-D387 VanDerWaalsContact CD-CA 3.5Å; R355-D387 IonicContact CZ-OD2 3.28Å; R355-D387 IonicContact NH1-OD2 3.08Å; R355-D387 PolarHBondContact NH1-OD2 2.67Å; D387-I433 HydrophobicContact CB-CD1 4.42Å; D387-I433 HydrophobicContact CB-CG1 4.07Å
388	E	75.7	Confident	89.7	Confident	56 Å²	56	50.9 Å²	50.9	26%	0.262	27%	0.265	S	S	.	.			trans	-119.6	139.1	171	-69.8	-155.7	160.1	0	0	109.3	P287 E288 R290 N390	P287-E388 HydrophobicContact CB-CG 4.19Å; P287-E388 WeakPolarHBondContact CB-OE1 3.16Å; E288-E388 HydrophobicContact CG-CB 4.1Å; E288-E388 HydrophobicContact CG-CG 4.4Å; E288-E388 PolarHBondContact OE1-N 3.2Å; R290-E388 IonicContact CZ-OE1 2.77Å; R290-E388 VanDerWaalsContact CZ-OE1 3.28Å; R290-E388 IonicContact CZ-OE2 3.66Å; R290-E388 IonicContact NE-OE1 2.73Å; R290-E388 PolarHBondContact NE-OE1 3.46Å; R290-E388 IonicContact NE-OE2 2.94Å; R290-E388 PolarHBondContact NE-OE2 3.18Å; R290-E388 VanDerWaalsContact NE-OE2 3.12Å; R290-E388 IonicContact NH2-OE1 3.2Å; R290-E388 PolarHBondContact NH2-OE1 3.29Å; R290-E388 IonicContact NH2-OE2 3.75Å; E388-N390 WeakPolarHBondContact O-CB 3.43Å; E388-N390 PolarHBondContact O-N 3.26Å; E388-N390 PolarHBondContact O-ND2 2.86Å
389	N	78.6	Confident	89.4	Confident	13 Å²	13	48.5 Å²	48.5	7%	0.07	26%	0.263	C	S	.	.	S	Bend	trans	-60.2	95.8	-179.6	-164.6	67	0	0	0	111.2	D432 A439 D489 P493	N389-D432 WeakPolarHBondContact CA-OD2 3.47Å; N389-D432 PolarHBondContact OD1-OD2 3.15Å; N389-A439 HydrophobicContact CB-CB 4.33Å; N389-A439 WeakPolarHBondContact OD1-CB 3.13Å; N389-D489 PolarHBondContact ND2-OD1 2.7Å; N389-D489 PolarHBondContact ND2-OD2 3.5Å; N389-P493 PolarHBondContact ND2-O 3.39Å
390	N	73.6	Confident	89.2	Confident	39 Å²	39	49.2 Å²	49.2	21%	0.209	27%	0.265	C	S	.	.			trans	-132.4	-8.1	-170.4	73.9	40.9	0	0	0	113.7	E288 L289 E388 D432	E288-N390 PolarHBondContact OE1-ND2 3.08Å; E288-N390 PolarHBondContact OE2-ND2 2.65Å; L289-N390 HydrophobicContact CD1-CB 4.01Å; L289-N390 VanDerWaalsContact CD1-ND2 3.29Å; L289-N390 WeakPolarHBondContact CD1-ND2 3.35Å; E388-N390 WeakPolarHBondContact O-CB 3.43Å; E388-N390 PolarHBondContact O-N 3.26Å; E388-N390 PolarHBondContact O-ND2 2.86Å; N390-D432 PolarHBondContact N-OD2 3.06Å
391	Q	77.1	Confident	88.9	Confident	61 Å²	61	50.2 Å²	50.2	29%	0.285	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-97.4	147.1	170.7	-53.4	-74.9	-26	0	0	109.4	K431 D432 M495	Q391-K431 HydrophobicContact CG-CB 4.4Å; Q391-D432 WeakPolarHBondContact CA-OD2 3.45Å; Q391-D432 HydrophobicContact CB-CB 4.44Å; Q391-D432 VanDerWaalsContact CB-CG 3.43Å; Q391-D432 WeakPolarHBondContact CB-OD1 3.47Å; Q391-D432 WeakPolarHBondContact CG-OD1 3.37Å; Q391-D432 VanDerWaalsContact N-CG 3.3Å; Q391-D432 PolarHBondContact N-OD1 3.3Å; Q391-D432 VanDerWaalsContact N-OD1 3.12Å; Q391-D432 PolarHBondContact N-OD2 2.87Å; Q391-M495 VanDerWaalsContact O-CB 3.3Å; Q391-M495 WeakPolarHBondContact O-CB 3.42Å; Q391-M495 WeakPolarHBondContact O-CG 3.23Å
392	S	84.6	Confident	88.6	Confident	52 Å²	52	50.2 Å²	50.2	36%	0.364	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-97.7	149.1	172.2	-54.1	0	0	0	0	109.9	Y394	S392-Y394 PolarHBondContact O-N 2.83Å
393	P	90.5	Very high	88.1	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.006	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-53.2	137.8	170.8	-23.2	28.1	0	0	0	109.9	A428 L429 D430 V442 A487 D489 S497	P393-A428 HydrophobicContact CB-CB 4.42Å; P393-L429 CarbonylContact C-O 3.57Å; P393-L429 WeakPolarHBondContact CA-O 3.43Å; P393-D430 WeakPolarHBondContact CA-OD2 3.48Å; P393-D430 WeakPolarHBondContact CD-OD2 3.47Å; P393-D430 WeakPolarHBondContact CG-OD2 3.38Å; P393-D430 VanDerWaalsContact N-OD2 3.09Å; P393-V442 HydrophobicContact CB-CG1 4.05Å; P393-V442 HydrophobicContact CB-CG2 4.05Å; P393-V442 HydrophobicContact CG-CG1 4.49Å; P393-V442 HydrophobicContact CG-CG2 4.33Å; P393-A487 HydrophobicContact CB-CB 3.92Å; P393-D489 HydrophobicContact CG-CB 4.23Å; P393-S497 WeakPolarHBondContact O-CB 3.35Å; P393-S497 PolarHBondContact O-OG 3.39Å
394	Y	90.1	Very high	87.7	Confident	101 Å²	101	50.5 Å²	50.5	40%	0.396	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.5	178.9	68.8	-86	0	0	0	111.6	S392 A428 L429 K431	S392-Y394 PolarHBondContact O-N 2.83Å; Y394-A428 CarbonylContact O-C 3.55Å; Y394-A428 WeakPolarHBondContact O-CA 3.48Å; Y394-L429 HydrophobicContact CD1-CB 4.39Å; Y394-L429 WeakPolarHBondContact CD1-O 3.36Å; Y394-L429 HydrophobicContact CE1-CB 3.71Å; Y394-L429 WeakPolarHBondContact CE1-O 3.14Å; Y394-L429 HydrophobicContact CE2-CB 4.16Å; Y394-L429 HydrophobicContact CE2-CD1 4.3Å; Y394-L429 PolarHBondContact N-O 3.02Å; Y394-L429 PolarHBondContact O-N 2.69Å; Y394-K431 HydrophobicContact CD1-CG 4.5Å; Y394-K431 HydrophobicContact CE1-CD 4.49Å; Y394-K431 HydrophobicContact CE1-CG 3.82Å
395	F	92.7	Very high	87.3	Confident	26 Å²	26	47.6 Å²	47.6	11%	0.114	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	141.9	175.7	-69.5	-88.4	0	0	0	111.9	M397 Y400 I426 A428 Y444 V485 A487 S497 S498 A499	F395-M397 WeakPolarHBondContact CB-O 3.3Å; F395-M397 PolarHBondContact O-N 3.41Å; F395-Y400 HydrophobicContact CD1-CE2 4.11Å; F395-I426 HydrophobicContact CD1-CG2 3.58Å; F395-I426 HydrophobicContact CE1-CG2 3.36Å; F395-A428 HydrophobicContact CD1-CB 3.89Å; F395-A428 HydrophobicContact CE1-CB 4.07Å; F395-A428 HydrophobicContact CG-CB 4.15Å; F395-Y444 HydrophobicContact CE1-CD1 4.27Å; F395-Y444 HydrophobicContact CE1-CE1 4.13Å; F395-V485 HydrophobicContact CE1-CG1 4.4Å; F395-V485 HydrophobicContact CZ-CG1 4.35Å; F395-V485 WeakPolarHBondContact CZ-O 3.24Å; F395-A487 HydrophobicContact CE1-CB 4.02Å; F395-A487 HydrophobicContact CE2-CB 3.69Å; F395-A487 HydrophobicContact CZ-CB 3.41Å; F395-A487 VanDerWaalsContact CZ-CB 3.41Å; F395-S497 WeakPolarHBondContact CD2-OG 3.36Å; F395-S497 WeakPolarHBondContact CE2-O 3.31Å; F395-S497 WeakPolarHBondContact CE2-OG 3.4Å; F395-S498 VanDerWaalsContact CE2-C 3.48Å; F395-A499 HydrophobicContact CB-CB 4.09Å; F395-A499 HydrophobicContact CD1-CB 3.74Å; F395-A499 HydrophobicContact CD2-CB 3.61Å; F395-A499 HydrophobicContact CE1-CB 4Å; F395-A499 HydrophobicContact CE2-CB 3.86Å; F395-A499 HydrophobicContact CG-CB 3.52Å; F395-A499 HydrophobicContact CZ-CB 4.03Å
396	T	91.5	Very high	86.8	Confident	71 Å²	71	50 Å²	50	44%	0.436	26%	0.262	S	S	.	.	S	Bend	trans	-64.1	-25.9	174.9	47.3	0	0	0	0	113.5	Y400 V427 L429	T396-Y400 PolarHBondContact OG1-OH 2.88Å; T396-V427 HydrophobicContact CG2-CB 4.23Å; T396-V427 HydrophobicContact CG2-CG1 4.11Å; T396-V427 PolarHBondContact N-O 2.99Å; T396-V427 PolarHBondContact OG1-O 3.15Å; T396-L429 HydrophobicContact CG2-CD1 4.42Å
397	M	90.4	Very high	86.5	Confident	107 Å²	107	50.5 Å²	50.5	53%	0.527	27%	0.272	S	S	.	.	S	Bend	trans	-136.1	144.6	174.5	-65.2	-68.8	-78.6	0	0	110.4	F395 S399 Y400	F395-M397 WeakPolarHBondContact CB-O 3.3Å; F395-M397 PolarHBondContact O-N 3.41Å; M397-S399 VanDerWaalsContact C-N 3.25Å; M397-S399 PolarHBondContact O-N 2.83Å; M397-Y400 HydrophobicContact CB-CE1 4.01Å; M397-Y400 HydrophobicContact CB-CE2 4.21Å; M397-Y400 HydrophobicContact CG-CE1 4.35Å; M397-Y400 PolarHBondContact N-OH 2.82Å; M397-Y400 WeakPolarHBondContact O-CE2 3.44Å
398	P	86.8	Confident	86.7	Confident	111 Å²	111	48.7 Å²	48.7	72%	0.721	26%	0.263	S	S	*	.	S	Bend	trans	-71.4	-22	178.5	29.2	-35.6	0	0	0	113
399	S	91.8	Very high	87.4	Confident	66 Å²	66	49.8 Å²	49.8	46%	0.462	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	143.1	176.8	62.9	0	0	0	0	111.7	M397 T500	M397-S399 VanDerWaalsContact C-N 3.25Å; M397-S399 PolarHBondContact O-N 2.83Å; S399-T500 CarbonylContact C-O 3.53Å; S399-T500 WeakPolarHBondContact CA-O 3.28Å
400	Y	93.2	Very high	87.9	Confident	20 Å²	20	53.1 Å²	53.1	8%	0.078	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	151	177.8	-63.8	-91.5	0	0	0	110.5	F395 T396 M397 L424 I426 V427 A499 T500 V501 R502	F395-Y400 HydrophobicContact CD1-CE2 4.11Å; T396-Y400 PolarHBondContact OG1-OH 2.88Å; M397-Y400 HydrophobicContact CB-CE1 4.01Å; M397-Y400 HydrophobicContact CB-CE2 4.21Å; M397-Y400 HydrophobicContact CG-CE1 4.35Å; M397-Y400 PolarHBondContact N-OH 2.82Å; M397-Y400 WeakPolarHBondContact O-CE2 3.44Å; Y400-L424 HydrophobicContact CD1-CD1 4.34Å; Y400-I426 HydrophobicContact CD2-CG1 4.44Å; Y400-I426 HydrophobicContact CD2-CG2 4.34Å; Y400-I426 HydrophobicContact CE2-CG2 3.88Å; Y400-I426 HydrophobicContact CG-CG1 4.42Å; Y400-V427 PolarHBondContact OH-O 3.07Å; Y400-A499 HydrophobicContact CD2-CB 4.34Å; Y400-A499 HydrophobicContact CE2-CB 4.1Å; Y400-T500 PolarHBondContact N-O 3.37Å; Y400-V501 WeakPolarHBondContact O-CA 3.24Å; Y400-R502 PolarHBondContact O-N 3.36Å
401	Q	92	Very high	88.7	Confident	75 Å²	75	53.6 Å²	53.6	35%	0.35	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.8	176.4	-175.3	67.7	35.2	0	0	109.1	Y403 R502	Q401-Y403 HydrophobicContact CG-CE2 4.03Å; Q401-R502 CarbonylContact C-O 3.55Å; Q401-R502 WeakPolarHBondContact CA-O 3.33Å; Q401-R502 PolarHBondContact NE2-O 3.08Å
402	G	91.6	Very high	89.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	159.2	-178.7	0	0	0	0	0	112.8	S415 R502 I503 L504	G402-S415 CarbonylContact C-O 3.58Å; G402-S415 WeakPolarHBondContact CA-O 3.23Å; G402-R502 PolarHBondContact N-O 2.95Å; G402-I503 CarbonylContact O-C 3.58Å; G402-I503 WeakPolarHBondContact O-CA 3.49Å; G402-L504 PolarHBondContact O-N 2.81Å
403	Y	89.2	Confident	89.7	Confident	39 Å²	39	51 Å²	51	15%	0.153	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.4	-177.9	-56.3	-84	0	0	0	110.6	Q401 S415 E416 L418 L420 L504 L506	Q401-Y403 HydrophobicContact CG-CE2 4.03Å; Y403-S415 PolarHBondContact N-O 2.75Å; Y403-S415 PolarHBondContact O-N 3.21Å; Y403-E416 WeakPolarHBondContact CE2-O 3.39Å; Y403-L418 HydrophobicContact CD1-CD2 3.86Å; Y403-L418 HydrophobicContact CD1-CG 4.06Å; Y403-L418 HydrophobicContact CE1-CD1 4.49Å; Y403-L418 HydrophobicContact CE1-CD2 3.64Å; Y403-L418 HydrophobicContact CE1-CG 3.71Å; Y403-L418 HydrophobicContact CE2-CG 4.25Å; Y403-L418 HydrophobicContact CG-CG 4.46Å; Y403-L420 WeakPolarHBondContact O-CD2 3.24Å; Y403-L504 WeakPolarHBondContact CA-O 3.18Å; Y403-L504 HydrophobicContact CD1-CB 3.97Å; Y403-L504 HydrophobicContact CD1-CD2 4.01Å; Y403-L504 HydrophobicContact CD1-CG 4.44Å; Y403-L504 HydrophobicContact CE1-CB 4.24Å; Y403-L504 HydrophobicContact CE1-CD2 3.87Å; Y403-L506 HydrophobicContact CD1-CD1 4.43Å; Y403-L506 HydrophobicContact CD1-CD2 4.05Å; Y403-L506 HydrophobicContact CD1-CG 4.4Å
404	I	90.2	Very high	89.8	Confident	9 Å²	9	51 Å²	51	5%	0.046	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	150.8	-179.5	-166.8	58.8	0	0	0	110.4	A408 A412 I414 F458 T469 L473 I503 L504 V505 L506	I404-A408 HydrophobicContact CD1-CB 3.62Å; I404-A408 HydrophobicContact CG1-CB 3.56Å; I404-A412 HydrophobicContact CD1-CB 4.09Å; I404-I414 HydrophobicContact CB-CD1 4.47Å; I404-I414 HydrophobicContact CB-CG1 4.38Å; I404-I414 HydrophobicContact CD1-CD1 4.13Å; I404-I414 HydrophobicContact CG1-CD1 4.21Å; I404-F458 HydrophobicContact CG2-CE1 4.42Å; I404-T469 HydrophobicContact CG1-CG2 4.21Å; I404-L473 HydrophobicContact CG1-CD2 4.28Å; I404-L473 HydrophobicContact CG2-CD2 3.66Å; I404-I503 HydrophobicContact CB-CG2 4.42Å; I404-I503 HydrophobicContact CG2-CG2 3.75Å; I404-L504 PolarHBondContact N-O 3.06Å; I404-L504 VanDerWaalsContact N-O 3.08Å; I404-V505 HydrophobicContact CG2-CG2 4.28Å; I404-V505 CarbonylContact O-C 3.57Å; I404-V505 WeakPolarHBondContact O-CA 3.49Å; I404-L506 PolarHBondContact O-N 3.31Å
405	L	86.8	Confident	89.7	Confident	41 Å²	41	46.4 Å²	46.4	22%	0.215	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	146.6	175	-73.3	172	0	0	0	111.7	S407 A408 L420 L473 L506 P508 I511	L405-S407 PolarHBondContact O-N 2.91Å; L405-A408 WeakPolarHBondContact O-CB 3.35Å; L405-A408 PolarHBondContact O-N 2.97Å; L405-L420 HydrophobicContact CD1-CD1 3.83Å; L405-L420 HydrophobicContact CD2-CD1 3.79Å; L405-L420 HydrophobicContact CG-CD1 3.39Å; L405-L473 VanDerWaalsContact O-CD2 3.25Å; L405-L473 WeakPolarHBondContact O-CD2 3.08Å; L405-L506 HydrophobicContact CD2-CB 4.3Å; L405-P508 HydrophobicContact CD2-CB 4.43Å; L405-P508 HydrophobicContact CD2-CG 4.26Å; L405-I511 HydrophobicContact CD2-CD1 3.65Å; L405-I511 HydrophobicContact CG-CD1 4.49Å
406	E	85.3	Confident	89.5	Confident	50 Å²	50	50.6 Å²	50.6	23%	0.234	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-26.4	171.3	76	-175.5	159.5	0	0	113.8	L473 E475 P477 V505 L506 H507 P508	E406-L473 CarbonylContact O-C 3.55Å; E406-E475 WeakPolarHBondContact CB-O 3.26Å; E406-P477 WeakPolarHBondContact OE2-CD 3.43Å; E406-P477 WeakPolarHBondContact OE2-CG 3.47Å; E406-V505 HydrophobicContact CB-CG1 3.8Å; E406-L506 PolarHBondContact N-O 3.4Å; E406-H507 IonicContact OE1-CE1 2.72Å; E406-H507 IonicContact OE1-ND1 3.21Å; E406-H507 PolarHBondContact OE1-ND1 2.98Å; E406-H507 IonicContact OE2-ND1 2.71Å; E406-P508 HydrophobicContact CG-CG 4.07Å; E406-P508 WeakPolarHBondContact OE1-CD 3.29Å; E406-P508 WeakPolarHBondContact OE1-CG 3.4Å
407	S	83.3	Confident	88.8	Confident	78 Å²	78	48.5 Å²	48.5	55%	0.545	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	17.5	-177.5	49.9	0	0	0	0	113.5	L405	L405-S407 PolarHBondContact O-N 2.91Å
408	A	86.1	Confident	88.2	Confident	7 Å²	7	45.6 Å²	45.6	6%	0.058	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-63.8	125.4	-178.7	0	0	0	0	0	111.5	I404 L405 A412 T469 L473	I404-A408 HydrophobicContact CD1-CB 3.62Å; I404-A408 HydrophobicContact CG1-CB 3.56Å; L405-A408 WeakPolarHBondContact O-CB 3.35Å; L405-A408 PolarHBondContact O-N 2.97Å; A408-A412 HydrophobicContact CB-CB 3.82Å; A408-T469 HydrophobicContact CB-CG2 4.45Å; A408-L473 HydrophobicContact CB-CB 4.23Å; A408-L473 PolarHBondContact O-N 2.81Å
409	P	89.4	Confident	87.3	Confident	79 Å²	79	42 Å²	42	51%	0.513	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-69.7	168.8	176.6	30.6	-36	0	0	0	111.4	G411 A412 T469 N472	P409-G411 PolarHBondContact O-N 3Å; P409-A412 HydrophobicContact CG-CB 4.44Å; P409-A412 VanDerWaalsContact O-CB 3.27Å; P409-A412 WeakPolarHBondContact O-CB 3.29Å; P409-A412 PolarHBondContact O-N 2.92Å; P409-T469 PolarHBondContact O-OG1 3.22Å; P409-N472 WeakPolarHBondContact CA-OD1 3.36Å
410	V	89.8	Confident	86.7	Confident	83 Å²	83	41.1 Å²	41.1	50%	0.503	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	134.7	166.7	-180	0	0	0	0	110.4	A412 N472	V410-A412 VanDerWaalsContact C-N 3.34Å; V410-N472 PolarHBondContact N-OD1 2.79Å
411	G	90.2	Very high	85.6	Confident	48 Å²	48	42.2 Å²	42.2	50%	0.495	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	6.2	179.3	0	0	0	0	0	114.5	P409 T413 T469	P409-G411 PolarHBondContact O-N 3Å; G411-T413 PolarHBondContact O-N 3.22Å; G411-T469 WeakPolarHBondContact CA-O 3.31Å; G411-T469 PolarHBondContact N-O 2.86Å; G411-T469 PolarHBondContact N-OG1 3.1Å
412	A	90.7	Very high	84.9	Confident	19 Å²	19	41.1 Å²	41.1	16%	0.157	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-67.3	131.8	174.2	0	0	0	0	0	110.5	I404 A408 P409 V410 V468 T469	I404-A412 HydrophobicContact CD1-CB 4.09Å; A408-A412 HydrophobicContact CB-CB 3.82Å; P409-A412 HydrophobicContact CG-CB 4.44Å; P409-A412 VanDerWaalsContact O-CB 3.27Å; P409-A412 WeakPolarHBondContact O-CB 3.29Å; P409-A412 PolarHBondContact O-N 2.92Å; V410-A412 VanDerWaalsContact C-N 3.34Å; A412-V468 CarbonylContact O-C 3.52Å; A412-V468 VanDerWaalsContact O-CA 3.28Å; A412-V468 WeakPolarHBondContact O-CA 3.34Å; A412-T469 HydrophobicContact CB-CG2 4.36Å; A412-T469 PolarHBondContact N-OG1 3.32Å; A412-T469 PolarHBondContact O-N 3.11Å; A412-T469 PolarHBondContact O-OG1 3.03Å
413	T	92.1	Very high	84.8	Confident	40 Å²	40	44.4 Å²	44.4	25%	0.245	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-81.7	134.5	177.6	-48.3	0	0	0	0	110.7	G411 P423 R466 V467	G411-T413 PolarHBondContact O-N 3.22Å; T413-P423 HydrophobicContact CG2-CB 3.54Å; T413-R466 HydrophobicContact CG2-CB 4.43Å; T413-R466 PolarHBondContact OG1-NH2 3.22Å; T413-V467 WeakPolarHBondContact CA-O 3.49Å
414	I	92.3	Very high	84.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-69.9	137.4	175.4	-76	43.3	0	0	0	107.8	I404 P423 L424 F458 V467 T469 I503	I404-I414 HydrophobicContact CB-CD1 4.47Å; I404-I414 HydrophobicContact CB-CG1 4.38Å; I404-I414 HydrophobicContact CD1-CD1 4.13Å; I404-I414 HydrophobicContact CG1-CD1 4.21Å; I414-P423 CarbonylContact O-C 3.54Å; I414-L424 HydrophobicContact CG2-CB 4.06Å; I414-L424 HydrophobicContact CG2-CD2 3.9Å; I414-L424 WeakPolarHBondContact O-CB 3.24Å; I414-L424 PolarHBondContact O-N 3.03Å; I414-F458 HydrophobicContact CD1-CD1 3.83Å; I414-F458 HydrophobicContact CD1-CE1 3.92Å; I414-F458 HydrophobicContact CG1-CD1 4.23Å; I414-F458 HydrophobicContact CG1-CE1 4.21Å; I414-V467 HydrophobicContact CB-CB 4.15Å; I414-V467 HydrophobicContact CB-CG1 4.31Å; I414-V467 HydrophobicContact CD1-CG1 4.37Å; I414-V467 HydrophobicContact CG1-CB 4.4Å; I414-V467 HydrophobicContact CG1-CG1 4.02Å; I414-V467 PolarHBondContact N-O 3.29Å; I414-T469 HydrophobicContact CD1-CG2 3.96Å; I414-I503 HydrophobicContact CG1-CD1 4.21Å; I414-I503 HydrophobicContact CG1-CG2 4.09Å; I414-I503 HydrophobicContact CG2-CG1 4.48Å; I414-I503 HydrophobicContact CG2-CG2 4.35Å
415	S	89	Confident	84.8	Confident	5 Å²	5	49.7 Å²	49.7	4%	0.035	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-94	144.3	-179.7	179.6	0	0	0	0	111.3	G402 Y403 S417 L420 T421 T422	G402-S415 CarbonylContact C-O 3.58Å; G402-S415 WeakPolarHBondContact CA-O 3.23Å; Y403-S415 PolarHBondContact N-O 2.75Å; Y403-S415 PolarHBondContact O-N 3.21Å; S415-S417 VanDerWaalsContact C-N 3.26Å; S415-S417 WeakPolarHBondContact CB-O 3.47Å; S415-S417 PolarHBondContact OG-N 2.99Å; S415-S417 PolarHBondContact OG-O 2.95Å; S415-S417 PolarHBondContact OG-OG 2.88Å; S415-L420 VanDerWaalsContact OG-CA 3.25Å; S415-L420 WeakPolarHBondContact OG-CA 3.43Å; S415-T421 PolarHBondContact OG-N 2.91Å; S415-T422 CarbonylContact C-O 3.54Å; S415-T422 VanDerWaalsContact CA-O 3.22Å; S415-T422 WeakPolarHBondContact CA-O 3.33Å; S415-T422 PolarHBondContact OG-O 2.95Å
416	E	87.3	Confident	85	Confident	115 Å²	115	47.8 Å²	47.8	54%	0.537	28%	0.277	S	S	.	.	S	Bend	trans	-75	-20.2	168.6	-169.3	179.3	-157.5	0	0	111.7	Y403 T422 L424	Y403-E416 WeakPolarHBondContact CE2-O 3.39Å; E416-T422 PolarHBondContact N-O 2.9Å; E416-L424 HydrophobicContact CB-CB 4.4Å; E416-L424 HydrophobicContact CB-CD1 4.08Å; E416-L424 HydrophobicContact CG-CD1 4.08Å
417	S	78.1	Confident	85.3	Confident	26 Å²	26	47.2 Å²	47.2	18%	0.182	28%	0.277	C	S	.	.	S	Bend	trans	-113.7	146.7	-175.8	67.8	0	0	0	0	113	S415 N419 L420 T421 T422	S415-S417 VanDerWaalsContact C-N 3.26Å; S415-S417 WeakPolarHBondContact CB-O 3.47Å; S415-S417 PolarHBondContact OG-N 2.99Å; S415-S417 PolarHBondContact OG-O 2.95Å; S415-S417 PolarHBondContact OG-OG 2.88Å; S417-N419 VanDerWaalsContact CB-OD1 3.22Å; S417-N419 WeakPolarHBondContact CB-OD1 3.18Å; S417-N419 PolarHBondContact O-N 2.91Å; S417-N419 PolarHBondContact OG-OD1 3.18Å; S417-L420 PolarHBondContact O-N 2.64Å; S417-T421 PolarHBondContact OG-N 2.9Å; S417-T422 PolarHBondContact OG-OG1 2.86Å
418	L	76.5	Confident	85.7	Confident	46 Å²	46	43.8 Å²	43.8	24%	0.241	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.8	176.5	-82.1	146.2	0	0	0	113.9	Y403 L420 L506 V593	Y403-L418 HydrophobicContact CD1-CD2 3.86Å; Y403-L418 HydrophobicContact CD1-CG 4.06Å; Y403-L418 HydrophobicContact CE1-CD1 4.49Å; Y403-L418 HydrophobicContact CE1-CD2 3.64Å; Y403-L418 HydrophobicContact CE1-CG 3.71Å; Y403-L418 HydrophobicContact CE2-CG 4.25Å; Y403-L418 HydrophobicContact CG-CG 4.46Å; L418-L420 PolarHBondContact O-N 2.97Å; L418-L506 HydrophobicContact CD2-CD1 4.49Å; L418-L506 HydrophobicContact CD2-CD2 3.99Å; L418-L506 WeakPolarHBondContact O-CD1 3.41Å; L418-V593 HydrophobicContact CB-CG2 3.81Å; L418-V593 HydrophobicContact CD1-CG2 3.78Å; L418-V593 HydrophobicContact CG-CG2 4.41Å
419	N	67.6	Low	85.7	Confident	35 Å²	35	47.2 Å²	47.2	19%	0.187	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	0.4	176.7	60.8	10.4	0	0	0	113.3	S417 T421 K618	S417-N419 VanDerWaalsContact CB-OD1 3.22Å; S417-N419 WeakPolarHBondContact CB-OD1 3.18Å; S417-N419 PolarHBondContact O-N 2.91Å; S417-N419 PolarHBondContact OG-OD1 3.18Å; N419-T421 HydrophobicContact CB-CG2 4.13Å; N419-T421 WeakPolarHBondContact O-CG2 3.42Å; N419-T421 PolarHBondContact OD1-OG1 3.25Å; N419-K618 VanDerWaalsContact CG-O 3.25Å; N419-K618 PolarHBondContact ND2-O 3.48Å
420	L	79.8	Confident	85.5	Confident	49 Å²	49	44.7 Å²	44.7	26%	0.257	25%	0.252	S	S	.	.	S	Bend	trans	63.8	42.2	175.2	-55.4	177.8	0	0	0	114.7	Y403 L405 S415 S417 L418 L506 I511	Y403-L420 WeakPolarHBondContact O-CD2 3.24Å; L405-L420 HydrophobicContact CD1-CD1 3.83Å; L405-L420 HydrophobicContact CD2-CD1 3.79Å; L405-L420 HydrophobicContact CG-CD1 3.39Å; S415-L420 VanDerWaalsContact OG-CA 3.25Å; S415-L420 WeakPolarHBondContact OG-CA 3.43Å; S417-L420 PolarHBondContact O-N 2.64Å; L418-L420 PolarHBondContact O-N 2.97Å; L420-L506 HydrophobicContact CD1-CD1 4.45Å; L420-L506 HydrophobicContact CD2-CD1 3.93Å; L420-L506 HydrophobicContact CG-CD1 4.19Å; L420-I511 HydrophobicContact CD1-CD1 3.55Å; L420-I511 HydrophobicContact CG-CD1 4.21Å
421	T	70.1	Confident	84.8	Confident	43 Å²	43	48 Å²	48	26%	0.264	26%	0.26	S	S	.	.			trans	-122	-22	-167	67.3	0	0	0	0	115.9	S415 S417 N419 K618	S415-T421 PolarHBondContact OG-N 2.91Å; S417-T421 PolarHBondContact OG-N 2.9Å; N419-T421 HydrophobicContact CB-CG2 4.13Å; N419-T421 WeakPolarHBondContact O-CG2 3.42Å; N419-T421 PolarHBondContact OD1-OG1 3.25Å; T421-K618 HydrophobicContact CG2-CB 3.35Å; T421-K618 HydrophobicContact CG2-CD 4.37Å; T421-K618 WeakPolarHBondContact CG2-O 3.22Å
422	T	78.7	Confident	83.7	Confident	52 Å²	52	46 Å²	46	32%	0.319	24%	0.238	S	C	.	.	S	Bend	trans	-115.9	119.4	174.6	51.5	0	0	0	0	108.9	S415 E416 S417 L424	S415-T422 CarbonylContact C-O 3.54Å; S415-T422 VanDerWaalsContact CA-O 3.22Å; S415-T422 WeakPolarHBondContact CA-O 3.33Å; S415-T422 PolarHBondContact OG-O 2.95Å; E416-T422 PolarHBondContact N-O 2.9Å; S417-T422 PolarHBondContact OG-OG1 2.86Å; T422-L424 PolarHBondContact O-N 3.08Å
423	P	88.9	Confident	82.4	Confident	68 Å²	68	47.5 Å²	47.5	44%	0.442	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-62.8	137.9	178.1	28.1	-34.3	0	0	0	110	T413 I414 R425	T413-P423 HydrophobicContact CG2-CB 3.54Å; I414-P423 CarbonylContact O-C 3.54Å; P423-R425 PolarHBondContact O-N 3.27Å
424	L	90.3	Very high	81	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.264	C	S	.	.			trans	-67	119.5	171.6	179.4	64.6	0	0	0	108.9	Y400 I414 E416 T422 V467 V501	Y400-L424 HydrophobicContact CD1-CD1 4.34Å; I414-L424 HydrophobicContact CG2-CB 4.06Å; I414-L424 HydrophobicContact CG2-CD2 3.9Å; I414-L424 WeakPolarHBondContact O-CB 3.24Å; I414-L424 PolarHBondContact O-N 3.03Å; E416-L424 HydrophobicContact CB-CB 4.4Å; E416-L424 HydrophobicContact CB-CD1 4.08Å; E416-L424 HydrophobicContact CG-CD1 4.08Å; T422-L424 PolarHBondContact O-N 3.08Å; L424-V467 HydrophobicContact CD2-CG2 4.34Å; L424-V501 HydrophobicContact CD2-CG1 3.59Å
425	R	88.2	Confident	79.5	Confident	160 Å²	160	60.4 Å²	60.4	60%	0.604	31%	0.305	S	S	*	.	B	Isolated β-bridge	trans	-114	118.3	175.6	-168	177.3	-175.7	-150.6	-2.1	109.9	P423 V427 S464	P423-R425 PolarHBondContact O-N 3.27Å; R425-V427 HydrophobicContact CG-CG2 4.07Å; R425-S464 PolarHBondContact NE-O 3.15Å
426	I	92	Very high	78.3	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.339	C	S	.	.			trans	-86	133.1	172.4	-56.9	174.9	0	0	0	107.6	F395 Y400 Y444 G465 V467 V485 V501	F395-I426 HydrophobicContact CD1-CG2 3.58Å; F395-I426 HydrophobicContact CE1-CG2 3.36Å; Y400-I426 HydrophobicContact CD2-CG1 4.44Å; Y400-I426 HydrophobicContact CD2-CG2 4.34Å; Y400-I426 HydrophobicContact CE2-CG2 3.88Å; Y400-I426 HydrophobicContact CG-CG1 4.42Å; I426-Y444 HydrophobicContact CG2-CD1 4.5Å; I426-Y444 HydrophobicContact CG2-CE1 4.31Å; I426-G465 WeakPolarHBondContact CB-O 3.34Å; I426-G465 PolarHBondContact N-O 3.28Å; I426-V467 HydrophobicContact CD1-CG2 3.39Å; I426-V467 HydrophobicContact CG1-CG2 4.04Å; I426-V485 HydrophobicContact CD1-CB 4.05Å; I426-V485 HydrophobicContact CD1-CG1 4.04Å; I426-V485 HydrophobicContact CD1-CG2 3.67Å; I426-V485 HydrophobicContact CG2-CG1 4.5Å; I426-V501 HydrophobicContact CD1-CG2 3.44Å; I426-V501 VanDerWaalsContact CD1-CG2 3.44Å; I426-V501 HydrophobicContact CG1-CG2 4.36Å
427	V	91.5	Very high	77.4	Confident	39 Å²	39	61.9 Å²	61.9	24%	0.236	33%	0.332	C	S	.	.			trans	-131.8	117.7	-178	-176.2	0	0	0	0	109.2	T396 Y400 R425 L429	T396-V427 HydrophobicContact CG2-CB 4.23Å; T396-V427 HydrophobicContact CG2-CG1 4.11Å; T396-V427 PolarHBondContact N-O 2.99Å; T396-V427 PolarHBondContact OG1-O 3.15Å; Y400-V427 PolarHBondContact OH-O 3.07Å; R425-V427 HydrophobicContact CG-CG2 4.07Å; V427-L429 HydrophobicContact CG1-CD2 4.4Å
428	A	90.2	Very high	77.2	Confident	5 Å²	5	64.7 Å²	64.7	4%	0.041	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	149.9	164	0	0	0	0	0	109.9	P393 Y394 F395 V442 Y444 A487	P393-A428 HydrophobicContact CB-CB 4.42Å; Y394-A428 CarbonylContact O-C 3.55Å; Y394-A428 WeakPolarHBondContact O-CA 3.48Å; F395-A428 HydrophobicContact CD1-CB 3.89Å; F395-A428 HydrophobicContact CE1-CB 4.07Å; F395-A428 HydrophobicContact CG-CB 4.15Å; A428-V442 HydrophobicContact CB-CG1 3.88Å; A428-Y444 HydrophobicContact CB-CE1 3.89Å; A428-Y444 PolarHBondContact N-OH 3.4Å; A428-Y444 PolarHBondContact O-OH 2.98Å; A428-A487 HydrophobicContact CB-CB 3.49Å; A428-A487 VanDerWaalsContact CB-CB 3.49Å
429	L	87.9	Confident	76.9	Confident	79 Å²	79	62.8 Å²	62.8	41%	0.414	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	150.8	179.4	-61.8	173.7	0	0	0	108.1	P393 Y394 T396 V427	P393-L429 CarbonylContact C-O 3.57Å; P393-L429 WeakPolarHBondContact CA-O 3.43Å; Y394-L429 HydrophobicContact CD1-CB 4.39Å; Y394-L429 WeakPolarHBondContact CD1-O 3.36Å; Y394-L429 HydrophobicContact CE1-CB 3.71Å; Y394-L429 WeakPolarHBondContact CE1-O 3.14Å; Y394-L429 HydrophobicContact CE2-CB 4.16Å; Y394-L429 HydrophobicContact CE2-CD1 4.3Å; Y394-L429 PolarHBondContact N-O 3.02Å; Y394-L429 PolarHBondContact O-N 2.69Å; T396-L429 HydrophobicContact CG2-CD1 4.42Å; V427-L429 HydrophobicContact CG1-CD2 4.4Å
430	D	84	Confident	77.2	Confident	26 Å²	26	62.1 Å²	62.1	14%	0.139	34%	0.339	C	S	.	.			trans	-111.9	147.1	171.4	-144.4	-49.1	0	0	0	110.4	P393 D432 V442	P393-D430 WeakPolarHBondContact CA-OD2 3.48Å; P393-D430 WeakPolarHBondContact CD-OD2 3.47Å; P393-D430 WeakPolarHBondContact CG-OD2 3.38Å; P393-D430 VanDerWaalsContact N-OD2 3.09Å; D430-D432 PolarHBondContact OD1-N 3.37Å; D430-V442 HydrophobicContact CB-CG2 3.93Å
431	K	74.6	Confident	77.5	Confident	154 Å²	154	65.7 Å²	65.7	67%	0.67	35%	0.349	S	S	*	.			trans	-98.6	-10.4	172.4	-72.1	-171.3	179.1	177.9	0	112.4	Q391 Y394	Q391-K431 HydrophobicContact CG-CB 4.4Å; Y394-K431 HydrophobicContact CD1-CG 4.5Å; Y394-K431 HydrophobicContact CE1-CD 4.49Å; Y394-K431 HydrophobicContact CE1-CG 3.82Å
432	D	67.3	Low	78.4	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.027	34%	0.343	C	S	.	.	S	Bend	trans	-68.9	135	176.6	-82.3	-11.6	0	0	0	111.5	N389 N390 Q391 D430 S440	N389-D432 WeakPolarHBondContact CA-OD2 3.47Å; N389-D432 PolarHBondContact OD1-OD2 3.15Å; N390-D432 PolarHBondContact N-OD2 3.06Å; Q391-D432 WeakPolarHBondContact CA-OD2 3.45Å; Q391-D432 HydrophobicContact CB-CB 4.44Å; Q391-D432 VanDerWaalsContact CB-CG 3.43Å; Q391-D432 WeakPolarHBondContact CB-OD1 3.47Å; Q391-D432 WeakPolarHBondContact CG-OD1 3.37Å; Q391-D432 VanDerWaalsContact N-CG 3.3Å; Q391-D432 PolarHBondContact N-OD1 3.3Å; Q391-D432 VanDerWaalsContact N-OD1 3.12Å; Q391-D432 PolarHBondContact N-OD2 2.87Å; D430-D432 PolarHBondContact OD1-N 3.37Å; D432-S440 VanDerWaalsContact O-CB 3.22Å; D432-S440 WeakPolarHBondContact O-CB 3.31Å
433	I	63.4	Low	79.1	Confident	50 Å²	50	65.3 Å²	65.3	26%	0.256	34%	0.339	S	S	.	.	S	Bend	trans	58.3	157.6	165.5	-55.5	-171.9	0	0	0	115.8	D387 D435 M437 A439	D387-I433 HydrophobicContact CB-CD1 4.42Å; D387-I433 HydrophobicContact CB-CG1 4.07Å; I433-D435 PolarHBondContact O-N 2.99Å; I433-M437 HydrophobicContact CB-CB 4.34Å; I433-M437 HydrophobicContact CG2-CB 3.52Å; I433-M437 HydrophobicContact CG2-CG 3.53Å; I433-A439 HydrophobicContact CB-CB 4.42Å; I433-A439 HydrophobicContact CD1-CB 3.68Å; I433-A439 HydrophobicContact CG1-CB 4.18Å
434	E	63.6	Low	79.3	Confident	148 Å²	148	62.9 Å²	62.9	69%	0.692	32%	0.321	S	S	*	.	S	Bend	trans	-47.6	137	169.1	-70.6	-177.1	160.6	0	0	111.7	G436 M437 S440	E434-G436 PolarHBondContact O-N 3.38Å; E434-G436 VanDerWaalsContact O-N 3.13Å; E434-M437 HydrophobicContact CB-CE 4.17Å; E434-M437 PolarHBondContact O-N 2.95Å; E434-S440 PolarHBondContact O-OG 3.17Å
435	D	60.4	Low	79.5	Confident	163 Å²	163	68.1 Å²	68.1	87%	0.872	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	119.8	176.6	-79.2	-36.5	0	0	0	110.6	I433	I433-D435 PolarHBondContact O-N 2.99Å
436	G	63.2	Low	79.8	Confident	71 Å²	71	61.4 Å²	61.4	73%	0.732	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	116	-4.4	173.9	0	0	0	0	0	116.1	E434 S440	E434-G436 PolarHBondContact O-N 3.38Å; E434-G436 VanDerWaalsContact O-N 3.13Å; G436-S440 PolarHBondContact N-OG 3.47Å; G436-S440 VanDerWaalsContact N-OG 3.15Å
437	M	69.7	Low	79.8	Confident	80 Å²	80	62.5 Å²	62.5	39%	0.394	32%	0.324	S	S	.	.	S	Bend	trans	-83.5	156.6	173.5	-81.4	35.1	149.1	0	0	110.6	I433 E434 A439 S440 R441	I433-M437 HydrophobicContact CB-CB 4.34Å; I433-M437 HydrophobicContact CG2-CB 3.52Å; I433-M437 HydrophobicContact CG2-CG 3.53Å; E434-M437 HydrophobicContact CB-CE 4.17Å; E434-M437 PolarHBondContact O-N 2.95Å; M437-A439 VanDerWaalsContact C-N 3.25Å; M437-A439 PolarHBondContact O-N 2.96Å; M437-S440 PolarHBondContact N-OG 2.81Å; M437-S440 PolarHBondContact O-N 2.69Å; M437-S440 PolarHBondContact O-OG 2.86Å; M437-R441 PolarHBondContact O-N 3.48Å
438	P	73.1	Confident	79.7	Confident	85 Å²	85	65.8 Å²	65.8	55%	0.552	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-55.1	-40.5	179.6	-26.9	35.4	0	0	0	113.3	S440 R441 D490	P438-S440 VanDerWaalsContact C-N 3.26Å; P438-S440 PolarHBondContact O-N 2.91Å; P438-R441 WeakPolarHBondContact O-CB 3.27Å; P438-R441 PolarHBondContact O-N 2.89Å; P438-D490 HydrophobicContact CB-CB 3.84Å; P438-D490 WeakPolarHBondContact CB-O 3.37Å; P438-D490 WeakPolarHBondContact O-CA 3.2Å; P438-D490 VanDerWaalsContact O-CB 3.3Å; P438-D490 WeakPolarHBondContact O-CB 3.32Å; P438-D490 PolarHBondContact O-N 3.16Å; P438-D490 VanDerWaalsContact O-N 3.15Å
439	A	69.4	Low	79.5	Confident	7 Å²	7	71.1 Å²	71.1	6%	0.058	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-55.6	-33.2	173.6	0	0	0	0	0	114.3	N389 I433 M437 D489	N389-A439 HydrophobicContact CB-CB 4.33Å; N389-A439 WeakPolarHBondContact OD1-CB 3.13Å; I433-A439 HydrophobicContact CB-CB 4.42Å; I433-A439 HydrophobicContact CD1-CB 3.68Å; I433-A439 HydrophobicContact CG1-CB 4.18Å; M437-A439 VanDerWaalsContact C-N 3.25Å; M437-A439 PolarHBondContact O-N 2.96Å; A439-D489 VanDerWaalsContact O-CB 3.24Å; A439-D489 WeakPolarHBondContact O-CB 3.47Å
440	S	75.4	Confident	79.3	Confident	21 Å²	21	72.1 Å²	72.1	15%	0.147	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-90.1	-3.7	178.4	58.9	0	0	0	0	113.5	D432 E434 G436 M437 P438 V442	D432-S440 VanDerWaalsContact O-CB 3.22Å; D432-S440 WeakPolarHBondContact O-CB 3.31Å; E434-S440 PolarHBondContact O-OG 3.17Å; G436-S440 PolarHBondContact N-OG 3.47Å; G436-S440 VanDerWaalsContact N-OG 3.15Å; M437-S440 PolarHBondContact N-OG 2.81Å; M437-S440 PolarHBondContact O-N 2.69Å; M437-S440 PolarHBondContact O-OG 2.86Å; P438-S440 VanDerWaalsContact C-N 3.26Å; P438-S440 PolarHBondContact O-N 2.91Å; S440-V442 PolarHBondContact O-N 2.96Å
441	R	85.5	Confident	79.5	Confident	123 Å²	123	73.8 Å²	73.8	46%	0.464	38%	0.381	S	S	.	.			trans	-86	98.4	-178.1	-172.9	179.4	175.8	-171.9	-3.8	111.3	M437 P438 D463	M437-R441 PolarHBondContact O-N 3.48Å; P438-R441 WeakPolarHBondContact O-CB 3.27Å; P438-R441 PolarHBondContact O-N 2.89Å; R441-D463 IonicContact CZ-OD1 2.72Å; R441-D463 IonicContact NE-OD1 2.7Å; R441-D463 IonicContact NH2-OD1 3.2Å; R441-D463 PolarHBondContact NH2-OD1 2.78Å
442	V	89	Confident	80.2	Confident	23 Å²	23	70.5 Å²	70.5	14%	0.139	38%	0.375	C	S	.	.			trans	-75.7	128	176.5	-174.8	0	0	0	0	112.1	P393 A428 D430 S440 Y444 A487	P393-V442 HydrophobicContact CB-CG1 4.05Å; P393-V442 HydrophobicContact CB-CG2 4.05Å; P393-V442 HydrophobicContact CG-CG1 4.49Å; P393-V442 HydrophobicContact CG-CG2 4.33Å; A428-V442 HydrophobicContact CB-CG1 3.88Å; D430-V442 HydrophobicContact CB-CG2 3.93Å; S440-V442 PolarHBondContact O-N 2.96Å; V442-Y444 HydrophobicContact CG1-CE1 4.24Å; V442-A487 HydrophobicContact CG1-CB 3.95Å
443	R	92.3	Very high	81.3	Confident	65 Å²	65	76.5 Å²	76.5	25%	0.245	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	159.8	171	-57.2	-163.3	-143.3	168.5	7.9	111.7	E462 A487 F488 D490	R443-E462 CarbonylContact C-O 3.49Å; R443-E462 WeakPolarHBondContact CA-O 3.21Å; R443-E462 HydrophobicContact CB-CG 3.88Å; R443-E462 WeakPolarHBondContact CD-OE1 3.34Å; R443-E462 HydrophobicContact CG-CG 4.27Å; R443-E462 IonicContact CZ-OE1 3.75Å; R443-E462 IonicContact NE-OE1 3.87Å; R443-E462 IonicContact NH1-OE1 2.79Å; R443-E462 PolarHBondContact NH1-OE1 2.78Å; R443-A487 CarbonylContact O-C 3.6Å; R443-A487 VanDerWaalsContact O-CA 3.29Å; R443-A487 WeakPolarHBondContact O-CA 3.47Å; R443-F488 HydrophobicContact CB-CD1 4.37Å; R443-F488 HydrophobicContact CB-CD2 4.29Å; R443-F488 HydrophobicContact CB-CE1 3.83Å; R443-F488 HydrophobicContact CB-CE2 3.75Å; R443-F488 HydrophobicContact CB-CZ 3.5Å; R443-F488 VanDerWaalsContact CB-CZ 3.5Å; R443-F488 HydrophobicContact CG-CE2 4.37Å; R443-F488 HydrophobicContact CG-CZ 4.44Å; R443-F488 PolarHBondContact N-O 3.11Å; R443-F488 WeakPolarHBondContact O-CD1 3.41Å; R443-F488 PolarHBondContact O-N 2.93Å; R443-D490 VanDerWaalsContact CZ-CG 3.49Å; R443-D490 IonicContact CZ-OD1 3.57Å; R443-D490 IonicContact CZ-OD2 3.37Å; R443-D490 VanDerWaalsContact NE-CG 3.25Å; R443-D490 IonicContact NE-OD1 3.37Å; R443-D490 PolarHBondContact NE-OD1 3.26Å; R443-D490 IonicContact NE-OD2 3.43Å; R443-D490 PolarHBondContact NE-OD2 2.8Å; R443-D490 IonicContact NH1-OD1 2.67Å; R443-D490 IonicContact NH2-OD1 2.79Å; R443-D490 PolarHBondContact NH2-OD1 2.92Å; R443-D490 IonicContact NH2-OD2 3.28Å; R443-D490 PolarHBondContact NH2-OD2 2.85Å
444	Y	94.8	Very high	82.7	Confident	17 Å²	17	74.7 Å²	74.7	7%	0.067	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	144.9	-176.6	-53	-84.2	0	0	0	112.4	F395 I426 A428 V442 V460 E462 V485 V486 A487	F395-Y444 HydrophobicContact CE1-CD1 4.27Å; F395-Y444 HydrophobicContact CE1-CE1 4.13Å; I426-Y444 HydrophobicContact CG2-CD1 4.5Å; I426-Y444 HydrophobicContact CG2-CE1 4.31Å; A428-Y444 HydrophobicContact CB-CE1 3.89Å; A428-Y444 PolarHBondContact N-OH 3.4Å; A428-Y444 PolarHBondContact O-OH 2.98Å; V442-Y444 HydrophobicContact CG1-CE1 4.24Å; Y444-V460 HydrophobicContact CG-CG2 4.48Å; Y444-E462 VanDerWaalsContact CD2-O 3.3Å; Y444-E462 WeakPolarHBondContact CD2-O 3.47Å; Y444-E462 PolarHBondContact N-O 3.36Å; Y444-E462 WeakPolarHBondContact O-CA 3.4Å; Y444-V485 HydrophobicContact CD1-CG1 4.28Å; Y444-V486 CarbonylContact C-O 3.59Å; Y444-V486 WeakPolarHBondContact CA-O 3.44Å; Y444-A487 HydrophobicContact CD1-CB 4.17Å; Y444-A487 HydrophobicContact CE1-CB 4.15Å
445	R	94.2	Very high	84	Confident	109 Å²	109	68.2 Å²	68.2	41%	0.411	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	159.9	168.5	64.5	-177.1	-179	80.8	-2	110.9	V460 V485 V486 F488	R445-V460 VanDerWaalsContact C-CG1 3.45Å; R445-V485 WeakPolarHBondContact O-CA 3.34Å; R445-V486 HydrophobicContact CG-CB 3.92Å; R445-V486 HydrophobicContact CG-CG1 4.45Å; R445-V486 PolarHBondContact N-O 2.91Å; R445-V486 PolarHBondContact O-N 3.41Å; R445-F488 HydrophobicContact CB-CE1 3.93Å; R445-F488 HydrophobicContact CG-CD1 3.93Å; R445-F488 HydrophobicContact CG-CE1 3.76Å
446	V	94.2	Very high	85.5	Confident	20 Å²	20	63.2 Å²	63.2	12%	0.121	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	140.1	169.7	175.5	0	0	0	0	110	A455 V460 L483	V446-A455 HydrophobicContact CG1-CB 3.58Å; V446-V460 HydrophobicContact CG2-CB 4.35Å; V446-V460 HydrophobicContact CG2-CG1 4.01Å; V446-L483 HydrophobicContact CB-CD1 4.49Å; V446-L483 HydrophobicContact CG1-CD1 3.49Å; V446-L483 VanDerWaalsContact CG1-CD1 3.49Å; V446-L483 HydrophobicContact CG1-CG 4.28Å; V446-L483 HydrophobicContact CG2-CD1 4.14Å; V446-L483 HydrophobicContact CG2-CD2 4.24Å; V446-L483 HydrophobicContact CG2-CG 4.42Å
447	D	92.1	Very high	86.8	Confident	23 Å²	23	60.1 Å²	60.1	12%	0.123	31%	0.306	C	S	.	.			trans	-86	107.1	164.6	178	9.3	0	0	0	109.4	V449 Q450 V484 V486	D447-V449 VanDerWaalsContact C-N 3.34Å; D447-V449 WeakPolarHBondContact OD1-CB 3.43Å; D447-V449 PolarHBondContact OD1-N 2.64Å; D447-Q450 WeakPolarHBondContact OD2-CG 3.49Å; D447-Q450 PolarHBondContact OD2-NE2 3.47Å; D447-V484 HydrophobicContact CB-CB 4.03Å; D447-V484 HydrophobicContact CB-CG1 3.85Å; D447-V484 PolarHBondContact N-O 2.95Å; D447-V486 HydrophobicContact CB-CG2 3.85Å
448	D	88.8	Confident	88	Confident	107 Å²	107	56.4 Å²	56.4	57%	0.572	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.4	-179.2	66	-15.7	0	0	0	113.7	P452 A455	D448-P452 WeakPolarHBondContact O-CA 3.4Å; D448-P452 WeakPolarHBondContact O-CG 3.35Å; D448-A455 HydrophobicContact CB-CB 3.76Å
449	V	86.5	Confident	89	Confident	118 Å²	118	54.4 Å²	54.4	72%	0.715	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-46.1	-178.3	-176.4	0	0	0	0	111.2	D447	D447-V449 VanDerWaalsContact C-N 3.34Å; D447-V449 WeakPolarHBondContact OD1-CB 3.43Å; D447-V449 PolarHBondContact OD1-N 2.64Å
450	Q	83.6	Confident	90.2	Very high	100 Å²	100	54.5 Å²	54.5	47%	0.467	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-41.1	-175.7	-76.1	-176.8	60.7	0	0	113.1	D447 V484	D447-Q450 WeakPolarHBondContact OD2-CG 3.49Å; D447-Q450 PolarHBondContact OD2-NE2 3.47Å; Q450-V484 HydrophobicContact CB-CG2 4.42Å
451	F	88.8	Confident	91.1	Very high	61 Å²	61	57 Å²	57	27%	0.268	28%	0.281	S	S	.	.			trans	-137.1	76	-177.9	-61.1	-76.2	0	0	0	110.8	Y453 P454 A455 K482 V484	F451-Y453 VanDerWaalsContact C-N 3.27Å; F451-Y453 PolarHBondContact O-N 2.83Å; F451-P454 HydrophobicContact CB-CB 4.26Å; F451-P454 HydrophobicContact CB-CG 3.85Å; F451-P454 WeakPolarHBondContact O-CD 3.4Å; F451-A455 WeakPolarHBondContact O-CB 3.49Å; F451-A455 PolarHBondContact O-N 3.07Å; F451-K482 WeakPolarHBondContact CB-O 3.49Å; F451-K482 HydrophobicContact CD2-CG 4.39Å; F451-K482 HydrophobicContact CE1-CD 4.17Å; F451-K482 HydrophobicContact CE2-CD 3.75Å; F451-K482 HydrophobicContact CE2-CG 4.03Å; F451-K482 WeakPolarHBondContact CG-O 3.49Å; F451-K482 HydrophobicContact CZ-CD 3.55Å; F451-K482 HydrophobicContact CZ-CG 4.21Å; F451-V484 HydrophobicContact CD2-CG2 3.76Å; F451-V484 HydrophobicContact CE2-CG2 3.82Å
452	P	89.4	Confident	91.4	Very high	84 Å²	84	55.2 Å²	55.2	55%	0.545	28%	0.278	S	S	.	.	H	α-helix	trans	-59.5	-34.9	-173.9	-23.2	31	0	0	0	113.8	D448 A455 S456	D448-P452 WeakPolarHBondContact O-CA 3.4Å; D448-P452 WeakPolarHBondContact O-CG 3.35Å; P452-A455 PolarHBondContact O-N 2.99Å; P452-S456 PolarHBondContact O-N 3.32Å
453	Y	90.6	Very high	91.5	Very high	131 Å²	131	59.1 Å²	59.1	51%	0.514	30%	0.298	S	S	.	.	H	α-helix	trans	-68.5	-55.9	-179.7	-176.1	-108.6	0	0	0	112.3	F451 A455 S456 I457 E475 F481	F451-Y453 VanDerWaalsContact C-N 3.27Å; F451-Y453 PolarHBondContact O-N 2.83Å; Y453-A455 VanDerWaalsContact C-N 3.26Å; Y453-A455 PolarHBondContact O-N 3.34Å; Y453-S456 WeakPolarHBondContact O-CB 3.28Å; Y453-S456 PolarHBondContact O-N 2.8Å; Y453-S456 PolarHBondContact O-OG 3.35Å; Y453-I457 HydrophobicContact CD1-CD1 4.09Å; Y453-I457 HydrophobicContact CE1-CD1 3.62Å; Y453-I457 HydrophobicContact CE2-CD1 4.27Å; Y453-I457 PolarHBondContact O-N 3.29Å; Y453-E475 PolarHBondContact OH-OE1 2.57Å; Y453-F481 HydrophobicContact CD1-CE1 4.08Å; Y453-F481 AromaticContact CE1-CE1 3.8Å; Y453-F481 HydrophobicContact CE1-CE1 3.8Å
454	P	91.4	Very high	91.4	Very high	13 Å²	13	57.5 Å²	57.5	8%	0.084	30%	0.297	C	S	.	.	H	α-helix	trans	-51.7	-40.9	169	-29.6	35	0	0	0	114.3	F451 S456 I457 F458 F481 K482 L483	F451-P454 HydrophobicContact CB-CB 4.26Å; F451-P454 HydrophobicContact CB-CG 3.85Å; F451-P454 WeakPolarHBondContact O-CD 3.4Å; P454-S456 PolarHBondContact O-N 2.87Å; P454-I457 PolarHBondContact O-N 2.82Å; P454-F458 WeakPolarHBondContact O-CD2 3.28Å; P454-F458 PolarHBondContact O-N 3.3Å; P454-F481 HydrophobicContact CB-CB 4.4Å; P454-F481 HydrophobicContact CB-CD1 4.45Å; P454-F481 HydrophobicContact CG-CB 4.44Å; P454-F481 HydrophobicContact CG-CD1 4.07Å; P454-K482 WeakPolarHBondContact CB-O 3.36Å; P454-K482 WeakPolarHBondContact CG-O 3.21Å; P454-L483 HydrophobicContact CB-CD1 4.28Å
455	A	91.1	Very high	91.2	Very high	12 Å²	12	56.7 Å²	56.7	10%	0.099	29%	0.294	C	S	.	.	H	α-helix	trans	-68	-20.5	178.2	0	0	0	0	0	113.9	V446 D448 F451 P452 Y453	V446-A455 HydrophobicContact CG1-CB 3.58Å; D448-A455 HydrophobicContact CB-CB 3.76Å; F451-A455 WeakPolarHBondContact O-CB 3.49Å; F451-A455 PolarHBondContact O-N 3.07Å; P452-A455 PolarHBondContact O-N 2.99Å; Y453-A455 VanDerWaalsContact C-N 3.26Å; Y453-A455 PolarHBondContact O-N 3.34Å
456	S	91.7	Very high	91.1	Very high	58 Å²	58	55.9 Å²	55.9	41%	0.406	29%	0.291	S	S	.	.	H	α-helix	trans	-78.9	-20	171	75.7	0	0	0	0	113.2	P452 Y453 P454	P452-S456 PolarHBondContact O-N 3.32Å; Y453-S456 WeakPolarHBondContact O-CB 3.28Å; Y453-S456 PolarHBondContact O-N 2.8Å; Y453-S456 PolarHBondContact O-OG 3.35Å; P454-S456 PolarHBondContact O-N 2.87Å
457	I	92.3	Very high	91.1	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-100	-38.3	-176	-61.4	171.3	0	0	0	111.9	Y453 P454 T469 R470 V471 L473 F481	Y453-I457 HydrophobicContact CD1-CD1 4.09Å; Y453-I457 HydrophobicContact CE1-CD1 3.62Å; Y453-I457 HydrophobicContact CE2-CD1 4.27Å; Y453-I457 PolarHBondContact O-N 3.29Å; P454-I457 PolarHBondContact O-N 2.82Å; I457-T469 CarbonylContact O-C 3.46Å; I457-R470 PolarHBondContact O-N 3.19Å; I457-V471 HydrophobicContact CB-CG2 4.32Å; I457-V471 HydrophobicContact CG1-CG2 4.29Å; I457-V471 HydrophobicContact CG2-CG2 4.09Å; I457-L473 HydrophobicContact CG2-CD1 3.49Å; I457-L473 VanDerWaalsContact CG2-CD1 3.49Å; I457-F481 HydrophobicContact CD1-CE1 3.79Å; I457-F481 HydrophobicContact CD1-CZ 3.89Å
458	F	94.5	Very high	91.2	Very high	1 Å²	1	54.8 Å²	54.8	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	151.9	-175	-56.8	-76.3	0	0	0	111.8	I404 I414 P454 V467 V468 T469 L473 F481 L483 I503	I404-F458 HydrophobicContact CG2-CE1 4.42Å; I414-F458 HydrophobicContact CD1-CD1 3.83Å; I414-F458 HydrophobicContact CD1-CE1 3.92Å; I414-F458 HydrophobicContact CG1-CD1 4.23Å; I414-F458 HydrophobicContact CG1-CE1 4.21Å; P454-F458 WeakPolarHBondContact O-CD2 3.28Å; P454-F458 PolarHBondContact O-N 3.3Å; F458-V467 HydrophobicContact CB-CG1 4.46Å; F458-V468 CarbonylContact C-O 3.53Å; F458-V468 VanDerWaalsContact CA-O 3.32Å; F458-V468 WeakPolarHBondContact CA-O 3.22Å; F458-T469 HydrophobicContact CD1-CG2 4.13Å; F458-T469 HydrophobicContact CE1-CG2 3.93Å; F458-L473 HydrophobicContact CZ-CD1 4.21Å; F458-F481 HydrophobicContact CD2-CB 4.46Å; F458-F481 HydrophobicContact CE2-CB 3.79Å; F458-F481 HydrophobicContact CE2-CD1 4.25Å; F458-F481 AromaticContact CE2-CD2 3.38Å; F458-F481 HydrophobicContact CE2-CD2 3.38Å; F458-F481 AromaticContact CE2-CE2 3.98Å; F458-F481 HydrophobicContact CE2-CE2 3.98Å; F458-F481 AromaticContact CE2-CG 3.53Å; F458-F481 HydrophobicContact CE2-CG 3.53Å; F458-F481 AromaticContact CZ-CD2 3.61Å; F458-F481 HydrophobicContact CZ-CD2 3.61Å; F458-F481 HydrophobicContact CZ-CE2 4.04Å; F458-F481 HydrophobicContact CZ-CG 4.23Å; F458-L483 HydrophobicContact CB-CD1 4.15Å; F458-L483 HydrophobicContact CB-CD2 3.92Å; F458-I503 HydrophobicContact CB-CD1 4.34Å; F458-I503 HydrophobicContact CD1-CD1 3.79Å; F458-I503 HydrophobicContact CD2-CD1 3.76Å; F458-I503 HydrophobicContact CE1-CD1 3.98Å; F458-I503 HydrophobicContact CE1-CG2 4.12Å; F458-I503 HydrophobicContact CE2-CD1 3.98Å; F458-I503 HydrophobicContact CG-CD1 3.67Å; F458-I503 HydrophobicContact CZ-CB 4.48Å; F458-I503 HydrophobicContact CZ-CD1 4.07Å; F458-I503 HydrophobicContact CZ-CG2 3.97Å
459	D	93.7	Very high	91.4	Very high	44 Å²	44	49.8 Å²	49.8	24%	0.235	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	168.9	174.3	-147.4	-17.4	0	0	0	110.2	V467 V468 R470	D459-V467 CarbonylContact O-C 3.54Å; D459-V467 WeakPolarHBondContact O-CA 3.3Å; D459-V468 HydrophobicContact CB-CG2 4.08Å; D459-V468 PolarHBondContact N-O 3.28Å; D459-V468 PolarHBondContact O-N 3.11Å; D459-R470 IonicContact OD2-CZ 2.69Å; D459-R470 IonicContact OD2-NE 3.74Å; D459-R470 PolarHBondContact OD2-NE 2.82Å; D459-R470 IonicContact OD2-NH2 2.72Å; D459-R470 PolarHBondContact OD2-NH2 2.87Å
460	V	94.6	Very high	91.6	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.055	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.3	172.9	66.5	0	0	0	0	109.7	Y444 R445 V446 E462 R466 V485	Y444-V460 HydrophobicContact CG-CG2 4.48Å; R445-V460 VanDerWaalsContact C-CG1 3.45Å; V446-V460 HydrophobicContact CG2-CB 4.35Å; V446-V460 HydrophobicContact CG2-CG1 4.01Å; V460-E462 PolarHBondContact O-N 3.06Å; V460-R466 WeakPolarHBondContact CA-O 3.24Å; V460-V485 HydrophobicContact CG1-CG1 4.2Å; V460-V485 HydrophobicContact CG2-CG1 4.34Å
461	E	94	Very high	92	Very high	73 Å²	73	49.2 Å²	49.2	34%	0.341	25%	0.246	S	C	.	.			trans	-66.5	122.5	173.8	-73.6	179.4	-172.9	0	0	110.2	D463 S464 G465 R466 V468	E461-D463 PolarHBondContact O-N 3.11Å; E461-S464 WeakPolarHBondContact CB-OG 3.28Å; E461-S464 PolarHBondContact O-N 2.86Å; E461-S464 WeakPolarHBondContact OE2-CB 3.29Å; E461-S464 PolarHBondContact OE2-OG 3.36Å; E461-G465 PolarHBondContact O-N 3.49Å; E461-G465 VanDerWaalsContact O-N 3.08Å; E461-R466 HydrophobicContact CB-CB 4.39Å; E461-R466 HydrophobicContact CG-CB 4.39Å; E461-R466 PolarHBondContact N-O 2.94Å; E461-V468 HydrophobicContact CG-CG1 4.41Å
462	E	92.5	Very high	91.9	Very high	86 Å²	86	51.5 Å²	51.5	40%	0.402	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-40.6	-168.1	-172.1	176.3	174.5	0	0	114.2	R443 Y444 V460	R443-E462 CarbonylContact C-O 3.49Å; R443-E462 WeakPolarHBondContact CA-O 3.21Å; R443-E462 HydrophobicContact CB-CG 3.88Å; R443-E462 WeakPolarHBondContact CD-OE1 3.34Å; R443-E462 HydrophobicContact CG-CG 4.27Å; R443-E462 IonicContact CZ-OE1 3.75Å; R443-E462 IonicContact NE-OE1 3.87Å; R443-E462 IonicContact NH1-OE1 2.79Å; R443-E462 PolarHBondContact NH1-OE1 2.78Å; Y444-E462 VanDerWaalsContact CD2-O 3.3Å; Y444-E462 WeakPolarHBondContact CD2-O 3.47Å; Y444-E462 PolarHBondContact N-O 3.36Å; Y444-E462 WeakPolarHBondContact O-CA 3.4Å; V460-E462 PolarHBondContact O-N 3.06Å
463	D	90.1	Very high	91.7	Very high	105 Å²	105	48 Å²	48	56%	0.561	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-28.9	-178.3	-62.9	-64.7	0	0	0	113.5	R441 E461	R441-D463 IonicContact CZ-OD1 2.72Å; R441-D463 IonicContact NE-OD1 2.7Å; R441-D463 IonicContact NH2-OD1 3.2Å; R441-D463 PolarHBondContact NH2-OD1 2.78Å; E461-D463 PolarHBondContact O-N 3.11Å
464	S	89.6	Confident	91.2	Very high	31 Å²	31	49 Å²	49	22%	0.217	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-23	-168.3	84.4	0	0	0	0	113.5	R425 E461 R466	R425-S464 PolarHBondContact NE-O 3.15Å; E461-S464 WeakPolarHBondContact CB-OG 3.28Å; E461-S464 PolarHBondContact O-N 2.86Å; E461-S464 WeakPolarHBondContact OE2-CB 3.29Å; E461-S464 PolarHBondContact OE2-OG 3.36Å; S464-R466 VanDerWaalsContact C-N 3.25Å; S464-R466 PolarHBondContact O-N 2.83Å; S464-R466 WeakPolarHBondContact OG-CB 3.43Å; S464-R466 VanDerWaalsContact OG-CG 3.3Å; S464-R466 WeakPolarHBondContact OG-CG 3.43Å; S464-R466 PolarHBondContact OG-N 3.11Å; S464-R466 VanDerWaalsContact OG-N 3.15Å
465	G	91	Very high	90.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.256	C	S	.	.			trans	72	14.6	-173.1	0	0	0	0	0	113.9	I426 E461	I426-G465 WeakPolarHBondContact CB-O 3.34Å; I426-G465 PolarHBondContact N-O 3.28Å; E461-G465 PolarHBondContact O-N 3.49Å; E461-G465 VanDerWaalsContact O-N 3.08Å
466	R	93	Very high	90.3	Very high	91 Å²	91	56.9 Å²	56.9	34%	0.343	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-80.2	131	177.5	-69.4	173.9	68.3	-172	1.8	110.8	T413 V460 E461 S464	T413-R466 HydrophobicContact CG2-CB 4.43Å; T413-R466 PolarHBondContact OG1-NH2 3.22Å; V460-R466 WeakPolarHBondContact CA-O 3.24Å; E461-R466 HydrophobicContact CB-CB 4.39Å; E461-R466 HydrophobicContact CG-CB 4.39Å; E461-R466 PolarHBondContact N-O 2.94Å; S464-R466 VanDerWaalsContact C-N 3.25Å; S464-R466 PolarHBondContact O-N 2.83Å; S464-R466 WeakPolarHBondContact OG-CB 3.43Å; S464-R466 VanDerWaalsContact OG-CG 3.3Å; S464-R466 WeakPolarHBondContact OG-CG 3.43Å; S464-R466 PolarHBondContact OG-N 3.11Å; S464-R466 VanDerWaalsContact OG-N 3.15Å
467	V	93.9	Very high	89.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.9	175.9	-173.4	0	0	0	0	109.8	T413 I414 L424 I426 F458 D459 L483 I503	T413-V467 WeakPolarHBondContact CA-O 3.49Å; I414-V467 HydrophobicContact CB-CB 4.15Å; I414-V467 HydrophobicContact CB-CG1 4.31Å; I414-V467 HydrophobicContact CD1-CG1 4.37Å; I414-V467 HydrophobicContact CG1-CB 4.4Å; I414-V467 HydrophobicContact CG1-CG1 4.02Å; I414-V467 PolarHBondContact N-O 3.29Å; L424-V467 HydrophobicContact CD2-CG2 4.34Å; I426-V467 HydrophobicContact CD1-CG2 3.39Å; I426-V467 HydrophobicContact CG1-CG2 4.04Å; F458-V467 HydrophobicContact CB-CG1 4.46Å; D459-V467 CarbonylContact O-C 3.54Å; D459-V467 WeakPolarHBondContact O-CA 3.3Å; V467-L483 HydrophobicContact CG1-CD2 3.92Å; V467-I503 HydrophobicContact CG1-CD1 4.17Å
468	V	93.9	Very high	89	Confident	20 Å²	20	59.5 Å²	59.5	12%	0.121	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	158.5	-175.3	-62	0	0	0	0	111.9	A412 F458 D459 E461	A412-V468 CarbonylContact O-C 3.52Å; A412-V468 VanDerWaalsContact O-CA 3.28Å; A412-V468 WeakPolarHBondContact O-CA 3.34Å; F458-V468 CarbonylContact C-O 3.53Å; F458-V468 VanDerWaalsContact CA-O 3.32Å; F458-V468 WeakPolarHBondContact CA-O 3.22Å; D459-V468 HydrophobicContact CB-CG2 4.08Å; D459-V468 PolarHBondContact N-O 3.28Å; D459-V468 PolarHBondContact O-N 3.11Å; E461-V468 HydrophobicContact CG-CG1 4.41Å
469	T	92.8	Very high	88.6	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.012	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.3	171	54.2	0	0	0	0	110.9	I404 A408 P409 G411 A412 I414 I457 F458	I404-T469 HydrophobicContact CG1-CG2 4.21Å; A408-T469 HydrophobicContact CB-CG2 4.45Å; P409-T469 PolarHBondContact O-OG1 3.22Å; G411-T469 WeakPolarHBondContact CA-O 3.31Å; G411-T469 PolarHBondContact N-O 2.86Å; G411-T469 PolarHBondContact N-OG1 3.1Å; A412-T469 HydrophobicContact CB-CG2 4.36Å; A412-T469 PolarHBondContact N-OG1 3.32Å; A412-T469 PolarHBondContact O-N 3.11Å; A412-T469 PolarHBondContact O-OG1 3.03Å; I414-T469 HydrophobicContact CD1-CG2 3.96Å; I457-T469 CarbonylContact O-C 3.46Å; F458-T469 HydrophobicContact CD1-CG2 4.13Å; F458-T469 HydrophobicContact CE1-CG2 3.93Å
470	R	91.3	Very high	88.5	Confident	146 Å²	146	64.1 Å²	64.1	55%	0.551	32%	0.324	S	S	*	.	S	Bend	trans	-87.1	-26.1	175.3	-176.3	177.4	-92.4	-151	-1.1	112.4	I457 D459	I457-R470 PolarHBondContact O-N 3.19Å; D459-R470 IonicContact OD2-CZ 2.69Å; D459-R470 IonicContact OD2-NE 3.74Å; D459-R470 PolarHBondContact OD2-NE 2.82Å; D459-R470 IonicContact OD2-NH2 2.72Å; D459-R470 PolarHBondContact OD2-NH2 2.87Å
471	V	91	Very high	88.3	Confident	61 Å²	61	64.1 Å²	64.1	37%	0.37	32%	0.324	S	S	.	.	S	Bend	trans	-124.4	163.1	178.4	-59.1	0	0	0	0	110	I457 L473	I457-V471 HydrophobicContact CB-CG2 4.32Å; I457-V471 HydrophobicContact CG1-CG2 4.29Å; I457-V471 HydrophobicContact CG2-CG2 4.09Å; V471-L473 PolarHBondContact O-N 3.15Å
472	N	88.1	Confident	88.3	Confident	108 Å²	108	64.6 Å²	64.6	58%	0.578	33%	0.325	S	S	*	.			trans	-63.1	125.9	166.7	-69	-44.4	0	0	0	107.8	P409 V410	P409-N472 WeakPolarHBondContact CA-OD1 3.36Å; V410-N472 PolarHBondContact N-OD1 2.79Å
473	L	84.9	Confident	88.4	Confident	10 Å²	10	60.5 Å²	60.5	5%	0.052	31%	0.306	C	S	.	.			trans	-71	136	177.5	-157.3	67.9	0	0	0	108.7	I404 L405 E406 A408 I457 F458 V471 E475 F481 V505	I404-L473 HydrophobicContact CG1-CD2 4.28Å; I404-L473 HydrophobicContact CG2-CD2 3.66Å; L405-L473 VanDerWaalsContact O-CD2 3.25Å; L405-L473 WeakPolarHBondContact O-CD2 3.08Å; E406-L473 CarbonylContact O-C 3.55Å; A408-L473 HydrophobicContact CB-CB 4.23Å; A408-L473 PolarHBondContact O-N 2.81Å; I457-L473 HydrophobicContact CG2-CD1 3.49Å; I457-L473 VanDerWaalsContact CG2-CD1 3.49Å; F458-L473 HydrophobicContact CZ-CD1 4.21Å; V471-L473 PolarHBondContact O-N 3.15Å; L473-E475 HydrophobicContact CD1-CB 4.31Å; L473-E475 HydrophobicContact CD1-CG 3.71Å; L473-E475 HydrophobicContact CG-CB 4.22Å; L473-E475 HydrophobicContact CG-CG 4.08Å; L473-F481 HydrophobicContact CD1-CE2 4.43Å; L473-V505 HydrophobicContact CD2-CG1 4.04Å; L473-V505 HydrophobicContact CD2-CG2 3.98Å
474	N	80.8	Confident	88.6	Confident	153 Å²	153	55.6 Å²	55.6	82%	0.818	28%	0.279	S	S	*	.			trans	-148.4	56.2	175.8	-175.1	58	0	0	0	108.5
475	E	81.9	Confident	88.8	Confident	40 Å²	40	54.1 Å²	54.1	19%	0.187	27%	0.269	C	S	.	.			trans	-115.3	147.2	-172.1	-66.6	-72.6	173.8	0	0	109.1	E406 Y453 L473 F481 V505	E406-E475 WeakPolarHBondContact CB-O 3.26Å; Y453-E475 PolarHBondContact OH-OE1 2.57Å; L473-E475 HydrophobicContact CD1-CB 4.31Å; L473-E475 HydrophobicContact CD1-CG 3.71Å; L473-E475 HydrophobicContact CG-CB 4.22Å; L473-E475 HydrophobicContact CG-CG 4.08Å; E475-F481 HydrophobicContact CB-CE2 4.29Å; E475-F481 HydrophobicContact CB-CZ 4.12Å; E475-F481 HydrophobicContact CG-CE2 4.02Å; E475-F481 HydrophobicContact CG-CZ 3.56Å; E475-V505 HydrophobicContact CB-CG2 4.27Å
476	E	81.3	Confident	89	Confident	151 Å²	151	54.5 Å²	54.5	71%	0.706	27%	0.271	S	S	*	.			trans	-58.3	138.9	178.6	-71.7	-76.3	160.1	0	0	110.1	T479	E476-T479 VanDerWaalsContact O-CB 3.23Å; E476-T479 WeakPolarHBondContact O-CB 3.45Å; E476-T479 PolarHBondContact O-N 2.85Å; E476-T479 PolarHBondContact O-OG1 2.74Å
477	P	76.2	Confident	89	Confident	24 Å²	24	50.1 Å²	50.1	16%	0.156	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	149.1	168.1	-24.9	32.7	0	0	0	111.4	E406 T479 H507	E406-P477 WeakPolarHBondContact OE2-CD 3.43Å; E406-P477 WeakPolarHBondContact OE2-CG 3.47Å; P477-T479 PolarHBondContact O-N 3.36Å; P477-H507 HydrophobicContact CB-CB 3.67Å; P477-H507 HydrophobicContact CG-CB 3.88Å; P477-H507 VanDerWaalsContact CG-ND1 3.34Å; P477-H507 WeakPolarHBondContact CG-ND1 3.45Å
478	T	79	Confident	89	Confident	94 Å²	94	51.7 Å²	51.7	58%	0.577	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	0	-175.4	77.1	0	0	0	0	115.8	I480 V505	T478-I480 PolarHBondContact O-N 2.7Å; T478-V505 WeakPolarHBondContact CA-O 3.4Å; T478-V505 PolarHBondContact N-O 3.34Å
479	T	87.2	Confident	88.8	Confident	38 Å²	38	50.7 Å²	50.7	23%	0.233	26%	0.256	C	S	.	.			trans	-61.2	131.2	171	-60	0	0	0	0	110.5	E476 P477 F481 V505	E476-T479 VanDerWaalsContact O-CB 3.23Å; E476-T479 WeakPolarHBondContact O-CB 3.45Å; E476-T479 PolarHBondContact O-N 2.85Å; E476-T479 PolarHBondContact O-OG1 2.74Å; P477-T479 PolarHBondContact O-N 3.36Å; T479-F481 HydrophobicContact CG2-CD1 4.47Å; T479-F481 HydrophobicContact CG2-CD2 4.33Å; T479-F481 HydrophobicContact CG2-CE1 3.91Å; T479-F481 HydrophobicContact CG2-CE2 3.76Å; T479-F481 HydrophobicContact CG2-CZ 3.5Å; T479-V505 PolarHBondContact O-N 3.33Å
480	I	90.8	Very high	88.4	Confident	104 Å²	104	52.5 Å²	52.5	53%	0.533	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	114.6	177.6	-60.5	171.5	0	0	0	109	T478 I503 L504	T478-I480 PolarHBondContact O-N 2.7Å; I480-I503 CarbonylContact C-O 3.56Å; I480-I503 WeakPolarHBondContact CA-O 3.42Å; I480-L504 HydrophobicContact CD1-CD1 4.35Å; I480-L504 HydrophobicContact CG1-CD1 3.62Å
481	F	92.1	Very high	87.8	Confident	9 Å²	9	45.9 Å²	45.9	4%	0.039	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	144	170.7	-62	-71.1	0	0	0	111.2	Y453 P454 I457 F458 L473 E475 T479 R502 I503 V505	Y453-F481 HydrophobicContact CD1-CE1 4.08Å; Y453-F481 AromaticContact CE1-CE1 3.8Å; Y453-F481 HydrophobicContact CE1-CE1 3.8Å; P454-F481 HydrophobicContact CB-CB 4.4Å; P454-F481 HydrophobicContact CB-CD1 4.45Å; P454-F481 HydrophobicContact CG-CB 4.44Å; P454-F481 HydrophobicContact CG-CD1 4.07Å; I457-F481 HydrophobicContact CD1-CE1 3.79Å; I457-F481 HydrophobicContact CD1-CZ 3.89Å; F458-F481 HydrophobicContact CD2-CB 4.46Å; F458-F481 HydrophobicContact CE2-CB 3.79Å; F458-F481 HydrophobicContact CE2-CD1 4.25Å; F458-F481 AromaticContact CE2-CD2 3.38Å; F458-F481 HydrophobicContact CE2-CD2 3.38Å; F458-F481 AromaticContact CE2-CE2 3.98Å; F458-F481 HydrophobicContact CE2-CE2 3.98Å; F458-F481 AromaticContact CE2-CG 3.53Å; F458-F481 HydrophobicContact CE2-CG 3.53Å; F458-F481 AromaticContact CZ-CD2 3.61Å; F458-F481 HydrophobicContact CZ-CD2 3.61Å; F458-F481 HydrophobicContact CZ-CE2 4.04Å; F458-F481 HydrophobicContact CZ-CG 4.23Å; L473-F481 HydrophobicContact CD1-CE2 4.43Å; E475-F481 HydrophobicContact CB-CE2 4.29Å; E475-F481 HydrophobicContact CB-CZ 4.12Å; E475-F481 HydrophobicContact CG-CE2 4.02Å; E475-F481 HydrophobicContact CG-CZ 3.56Å; T479-F481 HydrophobicContact CG2-CD1 4.47Å; T479-F481 HydrophobicContact CG2-CD2 4.33Å; T479-F481 HydrophobicContact CG2-CE1 3.91Å; T479-F481 HydrophobicContact CG2-CE2 3.76Å; T479-F481 HydrophobicContact CG2-CZ 3.5Å; F481-R502 CarbonylContact O-C 3.5Å; F481-R502 WeakPolarHBondContact O-CA 3.36Å; F481-I503 HydrophobicContact CB-CB 4.23Å; F481-I503 PolarHBondContact N-O 3.26Å; F481-I503 PolarHBondContact O-N 3.5Å; F481-V505 HydrophobicContact CD2-CG2 3.97Å; F481-V505 HydrophobicContact CE2-CG2 3.5Å
482	K	93.3	Very high	87.1	Confident	83 Å²	83	51.3 Å²	51.3	36%	0.361	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	110.1	169.7	-171.4	179.1	170.7	-166.8	0	107.8	F451 P454 T500	F451-K482 WeakPolarHBondContact CB-O 3.49Å; F451-K482 HydrophobicContact CD2-CG 4.39Å; F451-K482 HydrophobicContact CE1-CD 4.17Å; F451-K482 HydrophobicContact CE2-CD 3.75Å; F451-K482 HydrophobicContact CE2-CG 4.03Å; F451-K482 WeakPolarHBondContact CG-O 3.49Å; F451-K482 HydrophobicContact CZ-CD 3.55Å; F451-K482 HydrophobicContact CZ-CG 4.21Å; P454-K482 WeakPolarHBondContact CB-O 3.36Å; P454-K482 WeakPolarHBondContact CG-O 3.21Å; K482-T500 HydrophobicContact CD-CG2 4.06Å; K482-T500 VanDerWaalsContact CE-CG2 3.44Å; K482-T500 HydrophobicContact CG-CG2 3.58Å
483	L	93.8	Very high	86.7	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.8	176.9	-172.8	73.2	0	0	0	108.3	V446 P454 F458 V467 V485 T500 V501 I503	V446-L483 HydrophobicContact CB-CD1 4.49Å; V446-L483 HydrophobicContact CG1-CD1 3.49Å; V446-L483 VanDerWaalsContact CG1-CD1 3.49Å; V446-L483 HydrophobicContact CG1-CG 4.28Å; V446-L483 HydrophobicContact CG2-CD1 4.14Å; V446-L483 HydrophobicContact CG2-CD2 4.24Å; V446-L483 HydrophobicContact CG2-CG 4.42Å; P454-L483 HydrophobicContact CB-CD1 4.28Å; F458-L483 HydrophobicContact CB-CD1 4.15Å; F458-L483 HydrophobicContact CB-CD2 3.92Å; V467-L483 HydrophobicContact CG1-CD2 3.92Å; L483-V485 HydrophobicContact CD2-CG2 4.04Å; L483-V485 HydrophobicContact CG-CG2 4.32Å; L483-T500 CarbonylContact O-C 3.52Å; L483-V501 HydrophobicContact CB-CB 4.24Å; L483-V501 PolarHBondContact N-O 2.76Å; L483-V501 PolarHBondContact O-N 3.22Å; L483-I503 HydrophobicContact CB-CD1 4.35Å; L483-I503 HydrophobicContact CD2-CD1 4.27Å
484	V	94.5	Very high	86.8	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124	172.1	175.4	0	0	0	0	107.5	D447 Q450 F451 A499	D447-V484 HydrophobicContact CB-CB 4.03Å; D447-V484 HydrophobicContact CB-CG1 3.85Å; D447-V484 PolarHBondContact N-O 2.95Å; Q450-V484 HydrophobicContact CB-CG2 4.42Å; F451-V484 HydrophobicContact CD2-CG2 3.76Å; F451-V484 HydrophobicContact CE2-CG2 3.82Å; V484-A499 WeakPolarHBondContact CA-O 3.32Å
485	V	94.5	Very high	87.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.6	178.7	174.4	0	0	0	0	108	F395 I426 Y444 R445 V460 L483 S498 A499 V501	F395-V485 HydrophobicContact CE1-CG1 4.4Å; F395-V485 HydrophobicContact CZ-CG1 4.35Å; F395-V485 WeakPolarHBondContact CZ-O 3.24Å; I426-V485 HydrophobicContact CD1-CB 4.05Å; I426-V485 HydrophobicContact CD1-CG1 4.04Å; I426-V485 HydrophobicContact CD1-CG2 3.67Å; I426-V485 HydrophobicContact CG2-CG1 4.5Å; Y444-V485 HydrophobicContact CD1-CG1 4.28Å; R445-V485 WeakPolarHBondContact O-CA 3.34Å; V460-V485 HydrophobicContact CG1-CG1 4.2Å; V460-V485 HydrophobicContact CG2-CG1 4.34Å; L483-V485 HydrophobicContact CD2-CG2 4.04Å; L483-V485 HydrophobicContact CG-CG2 4.32Å; V485-S498 CarbonylContact O-C 2.98Å; V485-S498 VanDerWaalsContact O-CA 3.27Å; V485-S498 WeakPolarHBondContact O-CA 3.45Å; V485-A499 PolarHBondContact N-O 3.46Å; V485-A499 PolarHBondContact O-N 3.13Å; V485-V501 HydrophobicContact CB-CG2 4.45Å; V485-V501 HydrophobicContact CG2-CG2 3.78Å
486	V	94.5	Very high	87.6	Confident	8 Å²	8	49.4 Å²	49.4	5%	0.048	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.4	178.2	179.3	0	0	0	0	108.5	Y444 R445 D447 S497	Y444-V486 CarbonylContact C-O 3.59Å; Y444-V486 WeakPolarHBondContact CA-O 3.44Å; R445-V486 HydrophobicContact CG-CB 3.92Å; R445-V486 HydrophobicContact CG-CG1 4.45Å; R445-V486 PolarHBondContact N-O 2.91Å; R445-V486 PolarHBondContact O-N 3.41Å; D447-V486 HydrophobicContact CB-CG2 3.85Å; V486-S497 CarbonylContact C-O 3.5Å; V486-S497 VanDerWaalsContact CA-O 3.23Å; V486-S497 WeakPolarHBondContact CA-O 3.26Å; V486-S497 WeakPolarHBondContact CG1-O 3.37Å
487	A	94	Very high	88.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.1	166.4	0	0	0	0	0	107.8	P393 F395 A428 V442 R443 Y444 S496 S497	P393-A487 HydrophobicContact CB-CB 3.92Å; F395-A487 HydrophobicContact CE1-CB 4.02Å; F395-A487 HydrophobicContact CE2-CB 3.69Å; F395-A487 HydrophobicContact CZ-CB 3.41Å; F395-A487 VanDerWaalsContact CZ-CB 3.41Å; A428-A487 HydrophobicContact CB-CB 3.49Å; A428-A487 VanDerWaalsContact CB-CB 3.49Å; V442-A487 HydrophobicContact CG1-CB 3.95Å; R443-A487 CarbonylContact O-C 3.6Å; R443-A487 VanDerWaalsContact O-CA 3.29Å; R443-A487 WeakPolarHBondContact O-CA 3.47Å; Y444-A487 HydrophobicContact CD1-CB 4.17Å; Y444-A487 HydrophobicContact CE1-CB 4.15Å; A487-S496 CarbonylContact O-C 3.56Å; A487-S496 WeakPolarHBondContact O-CA 3.46Å; A487-S496 VanDerWaalsContact O-CB 3.28Å; A487-S496 WeakPolarHBondContact O-CB 3.4Å; A487-S497 PolarHBondContact N-O 2.83Å; A487-S497 PolarHBondContact O-N 2.92Å
488	F	92.8	Very high	89	Confident	32 Å²	32	46 Å²	46	14%	0.14	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.4	179.5	63.8	-82.8	0	0	0	110.3	R443 R445 V494 M495	R443-F488 HydrophobicContact CB-CD1 4.37Å; R443-F488 HydrophobicContact CB-CD2 4.29Å; R443-F488 HydrophobicContact CB-CE1 3.83Å; R443-F488 HydrophobicContact CB-CE2 3.75Å; R443-F488 HydrophobicContact CB-CZ 3.5Å; R443-F488 VanDerWaalsContact CB-CZ 3.5Å; R443-F488 HydrophobicContact CG-CE2 4.37Å; R443-F488 HydrophobicContact CG-CZ 4.44Å; R443-F488 PolarHBondContact N-O 3.11Å; R443-F488 WeakPolarHBondContact O-CD1 3.41Å; R443-F488 PolarHBondContact O-N 2.93Å; R445-F488 HydrophobicContact CB-CE1 3.93Å; R445-F488 HydrophobicContact CG-CD1 3.93Å; R445-F488 HydrophobicContact CG-CE1 3.76Å; F488-V494 HydrophobicContact CB-CG1 4.06Å; F488-V494 HydrophobicContact CD2-CG1 4.37Å; F488-M495 VanDerWaalsContact CA-O 3.25Å; F488-M495 WeakPolarHBondContact CA-O 3.26Å
489	D	90.1	Very high	89.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.233	C	C	.	.			trans	-92	176.6	175.3	62.4	36.6	0	0	0	112.3	N389 P393 A439 G491 V494 M495	N389-D489 PolarHBondContact ND2-OD1 2.7Å; N389-D489 PolarHBondContact ND2-OD2 3.5Å; P393-D489 HydrophobicContact CG-CB 4.23Å; A439-D489 VanDerWaalsContact O-CB 3.24Å; A439-D489 WeakPolarHBondContact O-CB 3.47Å; D489-G491 PolarHBondContact OD1-N 3.45Å; D489-V494 WeakPolarHBondContact O-CG1 3.47Å; D489-V494 VanDerWaalsContact OD1-CA 3.29Å; D489-V494 WeakPolarHBondContact OD1-CA 2.86Å; D489-M495 PolarHBondContact N-O 3.21Å; D489-M495 VanDerWaalsContact N-O 3.14Å; D489-M495 PolarHBondContact OD1-N 2.76Å; D489-M495 WeakPolarHBondContact OD2-CB 3.17Å; D489-M495 PolarHBondContact OD2-N 3.15Å; D489-M495 VanDerWaalsContact OD2-N 3.15Å
490	D	84.9	Confident	90	Very high	40 Å²	40	41.5 Å²	41.5	21%	0.214	23%	0.232	C	C	.	.	S	Bend	trans	-103.5	27.5	169.6	-61.2	-36.8	0	0	0	112.4	P438 R443	P438-D490 HydrophobicContact CB-CB 3.84Å; P438-D490 WeakPolarHBondContact CB-O 3.37Å; P438-D490 WeakPolarHBondContact O-CA 3.2Å; P438-D490 VanDerWaalsContact O-CB 3.3Å; P438-D490 WeakPolarHBondContact O-CB 3.32Å; P438-D490 PolarHBondContact O-N 3.16Å; P438-D490 VanDerWaalsContact O-N 3.15Å; R443-D490 VanDerWaalsContact CZ-CG 3.49Å; R443-D490 IonicContact CZ-OD1 3.57Å; R443-D490 IonicContact CZ-OD2 3.37Å; R443-D490 VanDerWaalsContact NE-CG 3.25Å; R443-D490 IonicContact NE-OD1 3.37Å; R443-D490 PolarHBondContact NE-OD1 3.26Å; R443-D490 IonicContact NE-OD2 3.43Å; R443-D490 PolarHBondContact NE-OD2 2.8Å; R443-D490 IonicContact NH1-OD1 2.67Å; R443-D490 IonicContact NH2-OD1 2.79Å; R443-D490 PolarHBondContact NH2-OD1 2.92Å; R443-D490 IonicContact NH2-OD2 3.28Å; R443-D490 PolarHBondContact NH2-OD2 2.85Å
491	G	78.3	Confident	90.1	Very high	6 Å²	6	36.6 Å²	36.6	6%	0.062	21%	0.207	C	C	.	.	S	Bend	trans	-80.2	174.6	178.2	0	0	0	0	0	113.2	D489 P493 V494	D489-G491 PolarHBondContact OD1-N 3.45Å; G491-P493 CarbonylContact O-C 3.55Å; G491-V494 VanDerWaalsContact O-CG2 3.28Å; G491-V494 WeakPolarHBondContact O-CG2 3.08Å; G491-V494 PolarHBondContact O-N 2.91Å
492	E	76.4	Confident	90.2	Very high	176 Å²	176	42.5 Å²	42.5	82%	0.822	23%	0.229	S	C	*	.	S	Bend	trans	-128.3	107.7	173.8	-75.4	-73.4	178.5	0	0	108.4
493	P	80.6	Confident	90.2	Very high	81 Å²	81	38.6 Å²	38.6	53%	0.526	21%	0.212	S	C	.	.	S	Bend	cis	-72.5	152.6	-0.7	33	-35.3	0	0	0	112.3	N389 G491 M495	N389-P493 PolarHBondContact ND2-O 3.39Å; G491-P493 CarbonylContact O-C 3.55Å; P493-M495 HydrophobicContact CG-CE 4.39Å; P493-M495 PolarHBondContact O-N 2.93Å
494	V	85.9	Confident	90	Very high	80 Å²	80	40.4 Å²	40.4	49%	0.485	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-63.9	122.4	173.6	173.7	0	0	0	0	110	F488 D489 G491	F488-V494 HydrophobicContact CB-CG1 4.06Å; F488-V494 HydrophobicContact CD2-CG1 4.37Å; D489-V494 WeakPolarHBondContact O-CG1 3.47Å; D489-V494 VanDerWaalsContact OD1-CA 3.29Å; D489-V494 WeakPolarHBondContact OD1-CA 2.86Å; G491-V494 VanDerWaalsContact O-CG2 3.28Å; G491-V494 WeakPolarHBondContact O-CG2 3.08Å; G491-V494 PolarHBondContact O-N 2.91Å
495	M	88.2	Confident	89.6	Confident	49 Å²	49	40.3 Å²	40.3	24%	0.241	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-98.6	152.3	173.1	-57.7	-68.4	-154.3	0	0	111.1	Q391 F488 D489 P493	Q391-M495 VanDerWaalsContact O-CB 3.3Å; Q391-M495 WeakPolarHBondContact O-CB 3.42Å; Q391-M495 WeakPolarHBondContact O-CG 3.23Å; F488-M495 VanDerWaalsContact CA-O 3.25Å; F488-M495 WeakPolarHBondContact CA-O 3.26Å; D489-M495 PolarHBondContact N-O 3.21Å; D489-M495 VanDerWaalsContact N-O 3.14Å; D489-M495 PolarHBondContact OD1-N 2.76Å; D489-M495 WeakPolarHBondContact OD2-CB 3.17Å; D489-M495 PolarHBondContact OD2-N 3.15Å; D489-M495 VanDerWaalsContact OD2-N 3.15Å; P493-M495 HydrophobicContact CG-CE 4.39Å; P493-M495 PolarHBondContact O-N 2.93Å
496	S	91.8	Very high	89.1	Confident	61 Å²	61	40.6 Å²	40.6	43%	0.427	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	152.4	-177.2	64.4	0	0	0	0	114	A487	A487-S496 CarbonylContact O-C 3.56Å; A487-S496 WeakPolarHBondContact O-CA 3.46Å; A487-S496 VanDerWaalsContact O-CB 3.28Å; A487-S496 WeakPolarHBondContact O-CB 3.4Å
497	S	93.1	Very high	88.3	Confident	32 Å²	32	43 Å²	43	22%	0.224	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	169.2	170.2	76.6	0	0	0	0	111	P393 F395 V486 A487	P393-S497 WeakPolarHBondContact O-CB 3.35Å; P393-S497 PolarHBondContact O-OG 3.39Å; F395-S497 WeakPolarHBondContact CD2-OG 3.36Å; F395-S497 WeakPolarHBondContact CE2-O 3.31Å; F395-S497 WeakPolarHBondContact CE2-OG 3.4Å; V486-S497 CarbonylContact C-O 3.5Å; V486-S497 VanDerWaalsContact CA-O 3.23Å; V486-S497 WeakPolarHBondContact CA-O 3.26Å; V486-S497 WeakPolarHBondContact CG1-O 3.37Å; A487-S497 PolarHBondContact N-O 2.83Å; A487-S497 PolarHBondContact O-N 2.92Å
498	S	93.3	Very high	87.2	Confident	72 Å²	72	44.3 Å²	44.3	50%	0.503	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.9	-178.5	68.1	0	0	0	0	112.9	F395 V485	F395-S498 VanDerWaalsContact CE2-C 3.48Å; V485-S498 CarbonylContact O-C 2.98Å; V485-S498 VanDerWaalsContact O-CA 3.27Å; V485-S498 WeakPolarHBondContact O-CA 3.45Å
499	A	93.5	Very high	86.2	Confident	3 Å²	3	43.8 Å²	43.8	3%	0.025	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	155.3	169.8	0	0	0	0	0	111.6	F395 Y400 V484 V485	F395-A499 HydrophobicContact CB-CB 4.09Å; F395-A499 HydrophobicContact CD1-CB 3.74Å; F395-A499 HydrophobicContact CD2-CB 3.61Å; F395-A499 HydrophobicContact CE1-CB 4Å; F395-A499 HydrophobicContact CE2-CB 3.86Å; F395-A499 HydrophobicContact CG-CB 3.52Å; F395-A499 HydrophobicContact CZ-CB 4.03Å; Y400-A499 HydrophobicContact CD2-CB 4.34Å; Y400-A499 HydrophobicContact CE2-CB 4.1Å; V484-A499 WeakPolarHBondContact CA-O 3.32Å; V485-A499 PolarHBondContact N-O 3.46Å; V485-A499 PolarHBondContact O-N 3.13Å
500	T	93.2	Very high	85.1	Confident	34 Å²	34	45.9 Å²	45.9	21%	0.209	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	132.5	177.7	-63.8	0	0	0	0	111.1	S399 Y400 K482 L483 R502	S399-T500 CarbonylContact C-O 3.53Å; S399-T500 WeakPolarHBondContact CA-O 3.28Å; Y400-T500 PolarHBondContact N-O 3.37Å; K482-T500 HydrophobicContact CD-CG2 4.06Å; K482-T500 VanDerWaalsContact CE-CG2 3.44Å; K482-T500 HydrophobicContact CG-CG2 3.58Å; L483-T500 CarbonylContact O-C 3.52Å; T500-R502 HydrophobicContact CG2-CG 4.47Å
501	V	94.1	Very high	84.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.6	170.9	-170	0	0	0	0	109	Y400 L424 I426 L483 V485 I503	Y400-V501 WeakPolarHBondContact O-CA 3.24Å; L424-V501 HydrophobicContact CD2-CG1 3.59Å; I426-V501 HydrophobicContact CD1-CG2 3.44Å; I426-V501 VanDerWaalsContact CD1-CG2 3.44Å; I426-V501 HydrophobicContact CG1-CG2 4.36Å; L483-V501 HydrophobicContact CB-CB 4.24Å; L483-V501 PolarHBondContact N-O 2.76Å; L483-V501 PolarHBondContact O-N 3.22Å; V485-V501 HydrophobicContact CB-CG2 4.45Å; V485-V501 HydrophobicContact CG2-CG2 3.78Å; V501-I503 HydrophobicContact CG1-CD1 4.48Å; V501-I503 HydrophobicContact CG1-CG1 3.95Å
502	R	93.9	Very high	84.1	Confident	134 Å²	134	45.7 Å²	45.7	51%	0.506	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.5	173.9	-76.7	-178	176.8	-129.1	1.2	109.4	Y400 Q401 G402 F481 T500	Y400-R502 PolarHBondContact O-N 3.36Å; Q401-R502 CarbonylContact C-O 3.55Å; Q401-R502 WeakPolarHBondContact CA-O 3.33Å; Q401-R502 PolarHBondContact NE2-O 3.08Å; G402-R502 PolarHBondContact N-O 2.95Å; F481-R502 CarbonylContact O-C 3.5Å; F481-R502 WeakPolarHBondContact O-CA 3.36Å; T500-R502 HydrophobicContact CG2-CG 4.47Å
503	I	92.2	Very high	84.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.3	-176.8	-52.9	168.2	0	0	0	108.6	G402 I404 I414 F458 V467 I480 F481 L483 V501	G402-I503 CarbonylContact O-C 3.58Å; G402-I503 WeakPolarHBondContact O-CA 3.49Å; I404-I503 HydrophobicContact CB-CG2 4.42Å; I404-I503 HydrophobicContact CG2-CG2 3.75Å; I414-I503 HydrophobicContact CG1-CD1 4.21Å; I414-I503 HydrophobicContact CG1-CG2 4.09Å; I414-I503 HydrophobicContact CG2-CG1 4.48Å; I414-I503 HydrophobicContact CG2-CG2 4.35Å; F458-I503 HydrophobicContact CB-CD1 4.34Å; F458-I503 HydrophobicContact CD1-CD1 3.79Å; F458-I503 HydrophobicContact CD2-CD1 3.76Å; F458-I503 HydrophobicContact CE1-CD1 3.98Å; F458-I503 HydrophobicContact CE1-CG2 4.12Å; F458-I503 HydrophobicContact CE2-CD1 3.98Å; F458-I503 HydrophobicContact CG-CD1 3.67Å; F458-I503 HydrophobicContact CZ-CB 4.48Å; F458-I503 HydrophobicContact CZ-CD1 4.07Å; F458-I503 HydrophobicContact CZ-CG2 3.97Å; V467-I503 HydrophobicContact CG1-CD1 4.17Å; I480-I503 CarbonylContact C-O 3.56Å; I480-I503 WeakPolarHBondContact CA-O 3.42Å; F481-I503 HydrophobicContact CB-CB 4.23Å; F481-I503 PolarHBondContact N-O 3.26Å; F481-I503 PolarHBondContact O-N 3.5Å; L483-I503 HydrophobicContact CB-CD1 4.35Å; L483-I503 HydrophobicContact CD2-CD1 4.27Å; V501-I503 HydrophobicContact CG1-CD1 4.48Å; V501-I503 HydrophobicContact CG1-CG1 3.95Å
504	L	89.6	Confident	84.4	Confident	39 Å²	39	42 Å²	42	20%	0.204	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.3	175.5	178	68.1	0	0	0	110.1	G402 Y403 I404 I480 L506	G402-L504 PolarHBondContact O-N 2.81Å; Y403-L504 WeakPolarHBondContact CA-O 3.18Å; Y403-L504 HydrophobicContact CD1-CB 3.97Å; Y403-L504 HydrophobicContact CD1-CD2 4.01Å; Y403-L504 HydrophobicContact CD1-CG 4.44Å; Y403-L504 HydrophobicContact CE1-CB 4.24Å; Y403-L504 HydrophobicContact CE1-CD2 3.87Å; I404-L504 PolarHBondContact N-O 3.06Å; I404-L504 VanDerWaalsContact N-O 3.08Å; I480-L504 HydrophobicContact CD1-CD1 4.35Å; I480-L504 HydrophobicContact CG1-CD1 3.62Å; L504-L506 HydrophobicContact CD2-CD2 3.91Å; L504-L506 HydrophobicContact CG-CD2 4.17Å
505	V	87.7	Confident	84.3	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	121.4	171	-174	0	0	0	0	109.4	I404 E406 L473 E475 T478 T479 F481	I404-V505 HydrophobicContact CG2-CG2 4.28Å; I404-V505 CarbonylContact O-C 3.57Å; I404-V505 WeakPolarHBondContact O-CA 3.49Å; E406-V505 HydrophobicContact CB-CG1 3.8Å; L473-V505 HydrophobicContact CD2-CG1 4.04Å; L473-V505 HydrophobicContact CD2-CG2 3.98Å; E475-V505 HydrophobicContact CB-CG2 4.27Å; T478-V505 WeakPolarHBondContact CA-O 3.4Å; T478-V505 PolarHBondContact N-O 3.34Å; T479-V505 PolarHBondContact O-N 3.33Å; F481-V505 HydrophobicContact CD2-CG2 3.97Å; F481-V505 HydrophobicContact CE2-CG2 3.5Å
506	L	82.6	Confident	84.1	Confident	6 Å²	6	44.4 Å²	44.4	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	141.2	179.3	-61.6	-176.3	0	0	0	110.8	Y403 I404 L405 E406 L418 L420 L504	Y403-L506 HydrophobicContact CD1-CD1 4.43Å; Y403-L506 HydrophobicContact CD1-CD2 4.05Å; Y403-L506 HydrophobicContact CD1-CG 4.4Å; I404-L506 PolarHBondContact O-N 3.31Å; L405-L506 HydrophobicContact CD2-CB 4.3Å; E406-L506 PolarHBondContact N-O 3.4Å; L418-L506 HydrophobicContact CD2-CD1 4.49Å; L418-L506 HydrophobicContact CD2-CD2 3.99Å; L418-L506 WeakPolarHBondContact O-CD1 3.41Å; L420-L506 HydrophobicContact CD1-CD1 4.45Å; L420-L506 HydrophobicContact CD2-CD1 3.93Å; L420-L506 HydrophobicContact CG-CD1 4.19Å; L504-L506 HydrophobicContact CD2-CD2 3.91Å; L504-L506 HydrophobicContact CG-CD2 4.17Å
507	H	77.8	Confident	83.3	Confident	57 Å²	57	50.9 Å²	50.9	26%	0.264	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-75.4	135.2	166.9	-167	54.3	0	0	0	109.4	E406 P477 G509 E510	E406-H507 IonicContact OE1-CE1 2.72Å; E406-H507 IonicContact OE1-ND1 3.21Å; E406-H507 PolarHBondContact OE1-ND1 2.98Å; E406-H507 IonicContact OE2-ND1 2.71Å; P477-H507 HydrophobicContact CB-CB 3.67Å; P477-H507 HydrophobicContact CG-CB 3.88Å; P477-H507 VanDerWaalsContact CG-ND1 3.34Å; P477-H507 WeakPolarHBondContact CG-ND1 3.45Å; H507-G509 PolarHBondContact CD2-N 3.19Å; H507-G509 VanDerWaalsContact CD2-N 3.34Å; H507-G509 PolarHBondContact O-N 2.98Å; H507-G509 VanDerWaalsContact O-N 3.09Å; H507-E510 HydrophobicContact CB-CB 4.36Å; H507-E510 HydrophobicContact CB-CG 3.87Å; H507-E510 PolarHBondContact N-OE2 3.46Å; H507-E510 WeakPolarHBondContact O-CB 3.22Å; H507-E510 PolarHBondContact O-N 2.9Å
508	P	72.3	Confident	82.7	Confident	28 Å²	28	54.2 Å²	54.2	18%	0.182	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-55.5	-30.6	175.6	-24.9	33.8	0	0	0	113.2	L405 E406 E510	L405-P508 HydrophobicContact CD2-CB 4.43Å; L405-P508 HydrophobicContact CD2-CG 4.26Å; E406-P508 HydrophobicContact CG-CG 4.07Å; E406-P508 WeakPolarHBondContact OE1-CD 3.29Å; E406-P508 WeakPolarHBondContact OE1-CG 3.4Å; P508-E510 VanDerWaalsContact C-N 3.33Å
509	G	71.6	Confident	82.2	Confident	22 Å²	22	51.4 Å²	51.4	23%	0.227	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-72.6	-19.8	176.3	0	0	0	0	0	114.5	H507 I511 A541 I542	H507-G509 PolarHBondContact CD2-N 3.19Å; H507-G509 VanDerWaalsContact CD2-N 3.34Å; H507-G509 PolarHBondContact O-N 2.98Å; H507-G509 VanDerWaalsContact O-N 3.09Å; G509-I511 VanDerWaalsContact C-N 3.26Å; G509-I511 PolarHBondContact O-N 2.85Å; G509-A541 CarbonylContact O-C 3.52Å; G509-A541 WeakPolarHBondContact O-CA 3.38Å; G509-I542 PolarHBondContact O-N 2.63Å
510	E	66.7	Low	81.7	Confident	43 Å²	43	60.5 Å²	60.5	20%	0.201	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-78	-9.2	176.9	-73.7	170	165.1	0	0	112.9	H507 P508 Q544	H507-E510 HydrophobicContact CB-CB 4.36Å; H507-E510 HydrophobicContact CB-CG 3.87Å; H507-E510 PolarHBondContact N-OE2 3.46Å; H507-E510 WeakPolarHBondContact O-CB 3.22Å; H507-E510 PolarHBondContact O-N 2.9Å; P508-E510 VanDerWaalsContact C-N 3.33Å; E510-Q544 PolarHBondContact O-NE2 3.37Å; E510-Q544 PolarHBondContact O-OE1 2.77Å
511	I	66.5	Low	81.3	Confident	28 Å²	28	59.6 Å²	59.6	14%	0.144	28%	0.275	C	S	.	.	S	Bend	trans	-89.9	122.4	177.2	-57.6	179.7	0	0	0	108.6	L405 L420 G509 R513	L405-I511 HydrophobicContact CD2-CD1 3.65Å; L405-I511 HydrophobicContact CG-CD1 4.49Å; L420-I511 HydrophobicContact CD1-CD1 3.55Å; L420-I511 HydrophobicContact CG-CD1 4.21Å; G509-I511 VanDerWaalsContact C-N 3.26Å; G509-I511 PolarHBondContact O-N 2.85Å; I511-R513 PolarHBondContact O-N 3.33Å; I511-R513 VanDerWaalsContact O-N 3.09Å
512	P	76	Confident	80.8	Confident	15 Å²	15	64 Å²	64	10%	0.097	30%	0.304	C	S	.	.			trans	-54.5	117.1	176.2	-25.5	33.6	0	0	0	112.5	A541 I546 A588	P512-A541 HydrophobicContact CB-CB 4.39Å; P512-A541 HydrophobicContact CG-CB 4.1Å; P512-I546 HydrophobicContact CB-CD1 4.28Å; P512-I546 HydrophobicContact CB-CG1 4.35Å; P512-I546 HydrophobicContact CG-CG1 4.47Å; P512-A588 HydrophobicContact CB-CB 4.32Å
513	R	78.1	Confident	80.5	Confident	154 Å²	154	61.6 Å²	61.6	58%	0.581	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	130.1	176.5	-76.6	-178	171.6	-166.7	-2.3	110.7	I511 T515 A539 A540	I511-R513 PolarHBondContact O-N 3.33Å; I511-R513 VanDerWaalsContact O-N 3.09Å; R513-T515 PolarHBondContact O-N 2.97Å; R513-A539 CarbonylContact O-C 3.52Å; R513-A539 WeakPolarHBondContact O-CA 3.38Å; R513-A539 WeakPolarHBondContact O-CB 3.26Å; R513-A540 PolarHBondContact N-O 3.07Å; R513-A540 PolarHBondContact O-N 3.5Å
514	F	84.2	Confident	80.2	Confident	24 Å²	24	62 Å²	62	11%	0.105	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	135.8	170.8	-71.2	-65.2	0	0	0	110.5	Q516 Y519 I537 A539 Y548 V586 A588 L620 L622	F514-Q516 PolarHBondContact O-N 3.18Å; F514-Y519 HydrophobicContact CB-CE2 4.17Å; F514-Y519 HydrophobicContact CD1-CE2 4.4Å; F514-Y519 HydrophobicContact CG-CE2 4.49Å; F514-I537 HydrophobicContact CE1-CD1 3.98Å; F514-A539 HydrophobicContact CD1-CB 3.96Å; F514-A539 HydrophobicContact CE1-CB 4.33Å; F514-Y548 HydrophobicContact CE1-CD1 4.42Å; F514-Y548 HydrophobicContact CE1-CE1 4.34Å; F514-V586 HydrophobicContact CE1-CG2 4.43Å; F514-V586 HydrophobicContact CZ-CG2 4Å; F514-A588 HydrophobicContact CE1-CB 3.79Å; F514-A588 HydrophobicContact CE2-CB 4.5Å; F514-A588 HydrophobicContact CZ-CB 3.77Å; F514-L620 HydrophobicContact CD2-CB 4.03Å; F514-L620 HydrophobicContact CD2-CD2 3.83Å; F514-L620 HydrophobicContact CE2-CB 3.95Å; F514-L620 WeakPolarHBondContact CE2-O 3.22Å; F514-L622 HydrophobicContact CD2-CB 3.68Å; F514-L622 HydrophobicContact CE2-CB 3.43Å; F514-L622 VanDerWaalsContact CE2-CB 3.43Å; F514-L622 HydrophobicContact CG-CB 4.35Å; F514-L622 HydrophobicContact CZ-CB 3.97Å
515	T	84.6	Confident	80.1	Confident	80 Å²	80	62 Å²	62	49%	0.491	31%	0.312	S	S	.	.	S	Bend	trans	-71.3	-12	-178.5	56.3	0	0	0	0	113.6	R513 Y519 S538 A540	R513-T515 PolarHBondContact O-N 2.97Å; T515-Y519 PolarHBondContact OG1-OH 2.73Å; T515-S538 WeakPolarHBondContact CB-O 3.42Å; T515-S538 WeakPolarHBondContact CG2-O 3.02Å; T515-S538 PolarHBondContact N-O 2.77Å; T515-S538 PolarHBondContact OG1-O 3.23Å; T515-A540 HydrophobicContact CG2-CB 4.22Å
516	Q	82.6	Confident	80.1	Confident	100 Å²	100	63.3 Å²	63.3	47%	0.467	32%	0.318	S	S	.	.	S	Bend	trans	-131.1	143.7	175.2	-51.7	-177.1	-16.8	0	0	108.9	F514 E518 Y519	F514-Q516 PolarHBondContact O-N 3.18Å; Q516-E518 VanDerWaalsContact C-N 3.29Å; Q516-Y519 HydrophobicContact CB-CD2 3.9Å; Q516-Y519 HydrophobicContact CB-CE1 4.31Å; Q516-Y519 HydrophobicContact CB-CE2 3.58Å; Q516-Y519 HydrophobicContact CB-CG 4.49Å; Q516-Y519 HydrophobicContact CG-CE1 4.09Å; Q516-Y519 HydrophobicContact CG-CE2 4.21Å; Q516-Y519 VanDerWaalsContact OE1-CD1 3.28Å
517	E	76	Confident	80.3	Confident	198 Å²	198	69.1 Å²	69.1	93%	0.925	35%	0.348	S	S	*	.	S	Bend	trans	-69.2	-30.9	174.6	-64.4	-173.4	162.4	0	0	111.8	L622	E517-L622 WeakPolarHBondContact O-CD1 3.4Å
518	E	79.4	Confident	80.7	Confident	101 Å²	101	67.2 Å²	67.2	47%	0.472	34%	0.342	S	S	.	.			trans	-145.6	138	179.5	-167.3	-175.8	169.7	0	0	109.7	Q516 R520	Q516-E518 VanDerWaalsContact C-N 3.29Å; E518-R520 VanDerWaalsContact CD-NH2 3.31Å; E518-R520 HydrophobicContact CG-CG 4.27Å; E518-R520 IonicContact OE1-CZ 3.38Å; E518-R520 IonicContact OE1-NE 3.26Å; E518-R520 PolarHBondContact OE1-NE 2.95Å; E518-R520 IonicContact OE1-NH2 3.1Å; E518-R520 PolarHBondContact OE1-NH2 2.88Å; E518-R520 VanDerWaalsContact OE1-NH2 3.1Å; E518-R520 IonicContact OE2-CZ 3.95Å; E518-R520 IonicContact OE2-NE 3.83Å; E518-R520 PolarHBondContact OE2-NE 2.88Å; E518-R520 IonicContact OE2-NH2 2.72Å; E518-R520 PolarHBondContact OE2-NH2 3.17Å
519	Y	83.2	Confident	81.5	Confident	13 Å²	13	69.1 Å²	69.1	5%	0.051	36%	0.36	C	S	.	.			trans	-112.8	126.1	175.4	-72.7	-107.3	0	0	0	109	F514 T515 Q516 V536 I537 S538 L622 L624	F514-Y519 HydrophobicContact CB-CE2 4.17Å; F514-Y519 HydrophobicContact CD1-CE2 4.4Å; F514-Y519 HydrophobicContact CG-CE2 4.49Å; T515-Y519 PolarHBondContact OG1-OH 2.73Å; Q516-Y519 HydrophobicContact CB-CD2 3.9Å; Q516-Y519 HydrophobicContact CB-CE1 4.31Å; Q516-Y519 HydrophobicContact CB-CE2 3.58Å; Q516-Y519 HydrophobicContact CB-CG 4.49Å; Q516-Y519 HydrophobicContact CG-CE1 4.09Å; Q516-Y519 HydrophobicContact CG-CE2 4.21Å; Q516-Y519 VanDerWaalsContact OE1-CD1 3.28Å; Y519-V536 WeakPolarHBondContact CD1-O 3.28Å; Y519-V536 WeakPolarHBondContact CE1-O 3.43Å; Y519-I537 HydrophobicContact CD1-CB 4.42Å; Y519-I537 HydrophobicContact CD1-CG2 3.88Å; Y519-I537 HydrophobicContact CE1-CB 4.09Å; Y519-I537 HydrophobicContact CE1-CG2 4.06Å; Y519-I537 HydrophobicContact CG-CG2 4.12Å; Y519-S538 PolarHBondContact OH-N 2.93Å; Y519-S538 PolarHBondContact OH-O 2.72Å; Y519-L622 HydrophobicContact CD2-CD1 3.97Å; Y519-L622 HydrophobicContact CD2-CD2 3.05Å; Y519-L622 HydrophobicContact CD2-CG 4.1Å; Y519-L622 HydrophobicContact CE2-CD1 4.45Å; Y519-L622 HydrophobicContact CE2-CD2 3.51Å; Y519-L622 HydrophobicContact CG-CD2 3.78Å; Y519-L624 HydrophobicContact CG-CD1 4Å; Y519-L624 WeakPolarHBondContact O-CG 3.24Å
520	R	84.2	Confident	82.4	Confident	194 Å²	194	77.3 Å²	77.3	73%	0.732	38%	0.384	S	S	*	.			trans	-122.4	88.2	-178.5	-65.7	-173.5	-177.7	177.6	7.7	110.4	E518	E518-R520 VanDerWaalsContact CD-NH2 3.31Å; E518-R520 HydrophobicContact CG-CG 4.27Å; E518-R520 IonicContact OE1-CZ 3.38Å; E518-R520 IonicContact OE1-NE 3.26Å; E518-R520 PolarHBondContact OE1-NE 2.95Å; E518-R520 IonicContact OE1-NH2 3.1Å; E518-R520 PolarHBondContact OE1-NH2 2.88Å; E518-R520 VanDerWaalsContact OE1-NH2 3.1Å; E518-R520 IonicContact OE2-CZ 3.95Å; E518-R520 IonicContact OE2-NE 3.83Å; E518-R520 PolarHBondContact OE2-NE 2.88Å; E518-R520 IonicContact OE2-NH2 2.72Å; E518-R520 PolarHBondContact OE2-NH2 3.17Å
521	P	84	Confident	83.5	Confident	16 Å²	16	77.4 Å²	77.4	10%	0.104	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-67.4	151.5	177.7	30.3	-35.8	0	0	0	110.5	V534 L624 G625 V626	P521-V534 HydrophobicContact CB-CG1 3.89Å; P521-V534 WeakPolarHBondContact CB-O 3.18Å; P521-V534 HydrophobicContact CG-CG1 4.12Å; P521-L624 HydrophobicContact CB-CD2 4.46Å; P521-L624 HydrophobicContact CG-CD2 3.42Å; P521-L624 VanDerWaalsContact CG-CD2 3.42Å; P521-G625 WeakPolarHBondContact CD-O 3.37Å; P521-G625 WeakPolarHBondContact CG-O 3.26Å; P521-V626 HydrophobicContact CG-CG2 4.13Å
522	P	84.2	Confident	84.7	Confident	91 Å²	91	78.6 Å²	78.6	59%	0.591	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-62.8	157.1	172.5	28.1	-34.3	0	0	0	111.3	V524	P522-V524 PolarHBondContact O-N 3.24Å
523	P	86.1	Confident	85.4	Confident	84 Å²	84	82.1 Å²	82.1	55%	0.545	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-55.4	134.5	173.4	-23	32.1	0	0	0	112	P627	P523-P627 CarbonylContact C-O 3.54Å; P523-P627 VanDerWaalsContact CA-O 3.31Å; P523-P627 WeakPolarHBondContact CA-O 3.23Å; P523-P627 HydrophobicContact CB-CB 4.11Å; P523-P627 HydrophobicContact CB-CG 4.19Å; P523-P627 HydrophobicContact CG-CB 4.23Å; P523-P627 HydrophobicContact CG-CG 4.01Å
524	V	87.4	Confident	86	Confident	8 Å²	8	75 Å²	75	5%	0.048	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126	178.9	-174.7	0	0	0	0	108.3	P522 A528 V534 V570 L574 V626 P627 V628 S629	P522-V524 PolarHBondContact O-N 3.24Å; V524-A528 HydrophobicContact CG1-CB 3.68Å; V524-V534 HydrophobicContact CG2-CB 4.17Å; V524-V534 HydrophobicContact CG2-CG1 3.79Å; V524-V534 HydrophobicContact CG2-CG2 3.85Å; V524-V570 HydrophobicContact CG1-CG2 3.69Å; V524-L574 HydrophobicContact CB-CD1 4.18Å; V524-L574 HydrophobicContact CG1-CD1 3.67Å; V524-V626 HydrophobicContact CG2-CG1 3.8Å; V524-P627 PolarHBondContact N-O 3.5Å; V524-V628 CarbonylContact O-C 3.36Å; V524-V628 VanDerWaalsContact O-CA 3.29Å; V524-V628 WeakPolarHBondContact O-CA 3.39Å; V524-S629 PolarHBondContact O-N 3.07Å
525	S	86.5	Confident	86.2	Confident	41 Å²	41	74.8 Å²	74.8	29%	0.287	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	140.1	175.7	-177.2	0	0	0	0	111	L527 A528 S629	S525-L527 PolarHBondContact O-N 3.15Å; S525-L527 PolarHBondContact OG-N 2.81Å; S525-A528 WeakPolarHBondContact O-CB 3.34Å; S525-A528 PolarHBondContact O-N 2.84Å; S525-S629 WeakPolarHBondContact CA-OG 3.42Å
526	E	87.7	Confident	86.5	Confident	26 Å²	26	74.8 Å²	74.8	12%	0.121	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.5	169.5	71.1	-167.6	144.6	0	0	112.6	A528 Y576 V628 S629 H630 S631	E526-A528 PolarHBondContact O-N 3.34Å; E526-Y576 WeakPolarHBondContact OE2-CB 3.37Å; E526-Y576 PolarHBondContact OE2-N 2.78Å; E526-V628 HydrophobicContact CB-CG1 4.11Å; E526-S629 PolarHBondContact N-O 2.73Å; E526-H630 WeakPolarHBondContact OE1-CA 3.31Å; E526-H630 IonicContact OE1-CD2 2.77Å; E526-H630 IonicContact OE1-CG 3.33Å; E526-S631 PolarHBondContact OE1-N 2.93Å; E526-S631 PolarHBondContact OE1-OG 2.84Å
527	L	86.8	Confident	86.9	Confident	129 Å²	129	70.1 Å²	70.1	68%	0.675	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	7.9	174.2	-60.7	177.5	0	0	0	113.5	S525 A529 S631	S525-L527 PolarHBondContact O-N 3.15Å; S525-L527 PolarHBondContact OG-N 2.81Å; L527-A529 PolarHBondContact O-N 3.42Å; L527-S631 VanDerWaalsContact CD1-CB 3.46Å; L527-S631 VanDerWaalsContact CD1-OG 3.27Å; L527-S631 WeakPolarHBondContact CD1-OG 3.04Å; L527-S631 WeakPolarHBondContact CG-OG 3.4Å
528	A	86.5	Confident	87.5	Confident	17 Å²	17	63 Å²	63	14%	0.14	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-60.8	123.3	178	0	0	0	0	0	110.6	V524 S525 E526 T532 V570	V524-A528 HydrophobicContact CG1-CB 3.68Å; S525-A528 WeakPolarHBondContact O-CB 3.34Å; S525-A528 PolarHBondContact O-N 2.84Å; E526-A528 PolarHBondContact O-N 3.34Å; A528-T532 HydrophobicContact CB-CG2 3.97Å; A528-V570 HydrophobicContact CB-CG2 4.16Å
529	A	89.2	Confident	87.8	Confident	68 Å²	68	58.6 Å²	58.6	56%	0.562	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-62.5	151.7	176	0	0	0	0	0	110.9	L527 G531 T532	L527-A529 PolarHBondContact O-N 3.42Å; A529-G531 PolarHBondContact O-N 2.98Å; A529-T532 PolarHBondContact N-OG1 3.11Å; A529-T532 VanDerWaalsContact O-CB 3.29Å; A529-T532 WeakPolarHBondContact O-CB 3.46Å; A529-T532 PolarHBondContact O-N 3.4Å; A529-T532 PolarHBondContact O-OG1 3.18Å
530	R	90.6	Very high	87.8	Confident	193 Å²	193	60.8 Å²	60.8	73%	0.728	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	129.7	170.5	-172	177.3	-172.3	-162.2	0.7	109.9	N571	R530-N571 VanDerWaalsContact CD-O 3.29Å; R530-N571 WeakPolarHBondContact CD-O 3.26Å; R530-N571 WeakPolarHBondContact CG-O 3.35Å; R530-N571 PolarHBondContact NE-O 3Å; R530-N571 PolarHBondContact NE-OD1 3.09Å; R530-N571 PolarHBondContact NH2-OD1 2.87Å
531	G	90	Very high	87.6	Confident	46 Å²	46	52.6 Å²	52.6	47%	0.474	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.2	-2.3	-173.6	0	0	0	0	0	114.7	A529 V533 V570	A529-G531 PolarHBondContact O-N 2.98Å; G531-V533 PolarHBondContact O-N 3.46Å; G531-V570 PolarHBondContact N-O 2.85Å
532	T	91	Very high	87.2	Confident	52 Å²	52	55.7 Å²	55.7	32%	0.319	35%	0.345	S	S	.	.			trans	-60.5	126.1	172.9	-59.4	0	0	0	0	109.9	A528 A529 V534 Y569 V570	A528-T532 HydrophobicContact CB-CG2 3.97Å; A529-T532 PolarHBondContact N-OG1 3.11Å; A529-T532 VanDerWaalsContact O-CB 3.29Å; A529-T532 WeakPolarHBondContact O-CB 3.46Å; A529-T532 PolarHBondContact O-N 3.4Å; A529-T532 PolarHBondContact O-OG1 3.18Å; T532-V534 PolarHBondContact O-N 2.96Å; T532-Y569 CarbonylContact O-C 3.53Å; T532-Y569 WeakPolarHBondContact O-CA 3.31Å; T532-Y569 WeakPolarHBondContact O-CB 3.34Å; T532-V570 PolarHBondContact O-N 2.96Å
533	V	92	Very high	86.6	Confident	89 Å²	89	59 Å²	59	54%	0.539	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	125.2	179.9	176	0	0	0	0	109.6	G531 V567	G531-V533 PolarHBondContact O-N 3.46Å; V533-V567 HydrophobicContact CG1-CG1 3.97Å; V533-V567 HydrophobicContact CG2-CG1 3.97Å
534	V	90.3	Very high	86	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.03	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-46.4	177.3	177.8	0	0	0	0	110.6	P521 V524 T532 F559 I568 V570 V626	P521-V534 HydrophobicContact CB-CG1 3.89Å; P521-V534 WeakPolarHBondContact CB-O 3.18Å; P521-V534 HydrophobicContact CG-CG1 4.12Å; V524-V534 HydrophobicContact CG2-CB 4.17Å; V524-V534 HydrophobicContact CG2-CG1 3.79Å; V524-V534 HydrophobicContact CG2-CG2 3.85Å; T532-V534 PolarHBondContact O-N 2.96Å; V534-F559 HydrophobicContact CG2-CD1 3.76Å; V534-F559 HydrophobicContact CG2-CE1 3.77Å; V534-I568 HydrophobicContact CB-CB 4.42Å; V534-I568 HydrophobicContact CB-CG2 4.13Å; V534-I568 HydrophobicContact CG2-CG2 4.47Å; V534-I568 PolarHBondContact N-O 3.07Å; V534-V570 HydrophobicContact CG2-CG2 3.91Å; V534-V626 HydrophobicContact CG1-CB 4.26Å; V534-V626 HydrophobicContact CG1-CG1 3.49Å; V534-V626 VanDerWaalsContact CG1-CG1 3.49Å; V534-V626 HydrophobicContact CG1-CG2 3.75Å
535	G	88.5	Confident	85.7	Confident	19 Å²	19	60.6 Å²	60.6	20%	0.196	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	173.6	-176.9	0	0	0	0	0	111.1	I568	G535-I568 PolarHBondContact N-O 3.23Å; G535-I568 PolarHBondContact O-N 2.9Å
536	V	90.5	Very high	85.6	Confident	81 Å²	81	59.8 Å²	59.8	49%	0.491	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.4	177.2	-178.4	0	0	0	0	107.7	Y519 G566 V567	Y519-V536 WeakPolarHBondContact CD1-O 3.28Å; Y519-V536 WeakPolarHBondContact CE1-O 3.43Å; V536-G566 WeakPolarHBondContact CA-O 3.41Å; V536-V567 HydrophobicContact CG1-CG2 4.49Å; V536-V567 HydrophobicContact CG2-CG2 3.94Å
537	I	90	Very high	85.5	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	36%	0.361	C	S	.	.			trans	-98	146.7	169.8	64.8	175.6	0	0	0	110.1	F514 Y519 Y548 I561 G566 I568 V586 L622 L624	F514-I537 HydrophobicContact CE1-CD1 3.98Å; Y519-I537 HydrophobicContact CD1-CB 4.42Å; Y519-I537 HydrophobicContact CD1-CG2 3.88Å; Y519-I537 HydrophobicContact CE1-CB 4.09Å; Y519-I537 HydrophobicContact CE1-CG2 4.06Å; Y519-I537 HydrophobicContact CG-CG2 4.12Å; I537-Y548 HydrophobicContact CD1-CD1 3.76Å; I537-Y548 HydrophobicContact CD1-CE1 4.44Å; I537-Y548 HydrophobicContact CD1-CG 4.37Å; I537-Y548 HydrophobicContact CG1-CD1 3.9Å; I537-Y548 HydrophobicContact CG1-CE1 4.22Å; I537-Y548 HydrophobicContact CG1-CG 4.44Å; I537-I561 HydrophobicContact CD1-CD1 3.44Å; I537-I561 VanDerWaalsContact CD1-CD1 3.44Å; I537-I561 HydrophobicContact CG1-CD1 3.96Å; I537-G566 WeakPolarHBondContact CG1-O 3.33Å; I537-G566 PolarHBondContact N-O 2.79Å; I537-G566 WeakPolarHBondContact O-CA 3.07Å; I537-I568 HydrophobicContact CG2-CD1 4.07Å; I537-V586 HydrophobicContact CD1-CB 3.72Å; I537-V586 HydrophobicContact CD1-CG1 4.15Å; I537-V586 HydrophobicContact CD1-CG2 3.5Å; I537-L622 HydrophobicContact CG2-CD2 4.22Å; I537-L624 HydrophobicContact CG2-CD1 3.39Å
538	S	89.3	Confident	85.7	Confident	49 Å²	49	54.5 Å²	54.5	34%	0.343	33%	0.332	S	S	.	.			trans	-139.7	127.7	177	-179.5	0	0	0	0	110.2	T515 Y519	T515-S538 WeakPolarHBondContact CB-O 3.42Å; T515-S538 WeakPolarHBondContact CG2-O 3.02Å; T515-S538 PolarHBondContact N-O 2.77Å; T515-S538 PolarHBondContact OG1-O 3.23Å; Y519-S538 PolarHBondContact OH-N 2.93Å; Y519-S538 PolarHBondContact OH-O 2.72Å
539	A	86	Confident	85.8	Confident	8 Å²	8	55.6 Å²	55.6	7%	0.066	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	158.8	166.1	0	0	0	0	0	109.7	R513 F514 I546 Y548 A588	R513-A539 CarbonylContact O-C 3.52Å; R513-A539 WeakPolarHBondContact O-CA 3.38Å; R513-A539 WeakPolarHBondContact O-CB 3.26Å; F514-A539 HydrophobicContact CD1-CB 3.96Å; F514-A539 HydrophobicContact CE1-CB 4.33Å; A539-I546 HydrophobicContact CB-CD1 3.78Å; A539-I546 HydrophobicContact CB-CG2 4.22Å; A539-I546 WeakPolarHBondContact O-CD1 3.13Å; A539-Y548 HydrophobicContact CB-CE1 3.96Å; A539-Y548 PolarHBondContact N-OH 3.35Å; A539-Y548 PolarHBondContact O-OH 2.63Å; A539-A588 HydrophobicContact CB-CB 3.65Å
540	A	83.3	Confident	85.8	Confident	59 Å²	59	54.2 Å²	54.2	49%	0.488	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137.8	176.2	0	0	0	0	0	109.4	R513 T515	R513-A540 PolarHBondContact N-O 3.07Å; R513-A540 PolarHBondContact O-N 3.5Å; T515-A540 HydrophobicContact CG2-CB 4.22Å
541	A	78.9	Confident	85.7	Confident	22 Å²	22	48.6 Å²	48.6	18%	0.182	31%	0.308	C	S	.	.			trans	-145.1	140.2	173	0	0	0	0	0	107.9	G509 P512 N543 Q544 I546	G509-A541 CarbonylContact O-C 3.52Å; G509-A541 WeakPolarHBondContact O-CA 3.38Å; P512-A541 HydrophobicContact CB-CB 4.39Å; P512-A541 HydrophobicContact CG-CB 4.1Å; A541-N543 PolarHBondContact O-N 3.38Å; A541-Q544 HydrophobicContact CB-CB 3.93Å; A541-I546 HydrophobicContact CB-CD1 4.1Å; A541-I546 HydrophobicContact CB-CG1 4.25Å
542	I	76.2	Confident	85.5	Confident	81 Å²	81	48.4 Å²	48.4	42%	0.415	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	128.2	175.2	-64.5	-176.3	0	0	0	108.2	G509 Q544	G509-I542 PolarHBondContact O-N 2.63Å; I542-Q544 PolarHBondContact O-N 2.69Å; I542-Q544 VanDerWaalsContact O-N 3.09Å
543	N	72.5	Confident	85.1	Confident	160 Å²	160	47 Å²	47	86%	0.856	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	22.8	174.3	-60.8	-26.3	0	0	0	116	A541	A541-N543 PolarHBondContact O-N 3.38Å
544	Q	72	Confident	85	Confident	46 Å²	46	44 Å²	44	22%	0.215	28%	0.279	C	S	.	.			trans	-129.2	137.9	179.2	-67.1	-178.2	1.2	0	0	112	E510 A541 I542	E510-Q544 PolarHBondContact O-NE2 3.37Å; E510-Q544 PolarHBondContact O-OE1 2.77Å; A541-Q544 HydrophobicContact CB-CB 3.93Å; I542-Q544 PolarHBondContact O-N 2.69Å; I542-Q544 VanDerWaalsContact O-N 3.09Å
545	S	82.9	Confident	84.7	Confident	80 Å²	80	48 Å²	48	56%	0.559	30%	0.297	S	S	*	.			trans	-77.7	131.1	166.3	-62.1	0	0	0	0	109	S590 L591	S545-S590 CarbonylContact O-C 3.57Å; S545-S590 WeakPolarHBondContact O-CA 3.33Å; S545-L591 WeakPolarHBondContact O-CB 3.48Å; S545-L591 PolarHBondContact O-N 2.79Å
546	I	83.4	Confident	84.5	Confident	25 Å²	25	54.1 Å²	54.1	13%	0.128	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136.8	-177.5	-60.3	172	0	0	0	109.8	P512 A539 A541 Y548 A588 D589	P512-I546 HydrophobicContact CB-CD1 4.28Å; P512-I546 HydrophobicContact CB-CG1 4.35Å; P512-I546 HydrophobicContact CG-CG1 4.47Å; A539-I546 HydrophobicContact CB-CD1 3.78Å; A539-I546 HydrophobicContact CB-CG2 4.22Å; A539-I546 WeakPolarHBondContact O-CD1 3.13Å; A541-I546 HydrophobicContact CB-CD1 4.1Å; A541-I546 HydrophobicContact CB-CG1 4.25Å; I546-Y548 HydrophobicContact CG2-CD1 4.3Å; I546-Y548 HydrophobicContact CG2-CE1 3.84Å; I546-Y548 HydrophobicContact CG2-CE2 4.14Å; I546-A588 HydrophobicContact CG2-CB 3.81Å; I546-D589 CarbonylContact C-O 3.6Å; I546-D589 VanDerWaalsContact CA-O 3.3Å; I546-D589 WeakPolarHBondContact CA-O 3.44Å
547	V	86.7	Confident	84.4	Confident	28 Å²	28	55.3 Å²	55.3	17%	0.17	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.5	174.9	-175.4	0	0	0	0	108.4	N563 D589 L591 V594	V547-N563 WeakPolarHBondContact CA-O 3.29Å; V547-N563 HydrophobicContact CG1-CB 4.14Å; V547-D589 PolarHBondContact N-O 3.47Å; V547-D589 PolarHBondContact O-N 2.91Å; V547-L591 HydrophobicContact CG2-CB 4.17Å; V547-L591 HydrophobicContact CG2-CD1 3.76Å; V547-V594 HydrophobicContact CB-CG2 3.91Å; V547-V594 HydrophobicContact CG1-CG2 4.2Å; V547-V594 HydrophobicContact CG2-CG2 4.08Å
548	Y	89.3	Confident	84.5	Confident	16 Å²	16	56.8 Å²	56.8	6%	0.063	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	140.4	177.7	-55.1	-82.7	0	0	0	111.6	F514 I537 A539 I546 N563 Q587 A588	F514-Y548 HydrophobicContact CE1-CD1 4.42Å; F514-Y548 HydrophobicContact CE1-CE1 4.34Å; I537-Y548 HydrophobicContact CD1-CD1 3.76Å; I537-Y548 HydrophobicContact CD1-CE1 4.44Å; I537-Y548 HydrophobicContact CD1-CG 4.37Å; I537-Y548 HydrophobicContact CG1-CD1 3.9Å; I537-Y548 HydrophobicContact CG1-CE1 4.22Å; I537-Y548 HydrophobicContact CG1-CG 4.44Å; A539-Y548 HydrophobicContact CB-CE1 3.96Å; A539-Y548 PolarHBondContact N-OH 3.35Å; A539-Y548 PolarHBondContact O-OH 2.63Å; I546-Y548 HydrophobicContact CG2-CD1 4.3Å; I546-Y548 HydrophobicContact CG2-CE1 3.84Å; I546-Y548 HydrophobicContact CG2-CE2 4.14Å; Y548-N563 PolarHBondContact N-O 2.93Å; Y548-N563 WeakPolarHBondContact O-CA 3.33Å; Y548-N563 WeakPolarHBondContact O-CB 3.4Å; Y548-Q587 CarbonylContact C-O 3.2Å; Y548-Q587 WeakPolarHBondContact CA-O 3.49Å; Y548-A588 HydrophobicContact CD1-CB 4.05Å; Y548-A588 HydrophobicContact CE1-CB 4.06Å
549	S	90.1	Very high	84.6	Confident	40 Å²	40	54.5 Å²	54.5	28%	0.28	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	154.6	172.9	58.9	0	0	0	0	111.4	V586 Q587	S549-V586 CarbonylContact O-C 3.57Å; S549-V586 VanDerWaalsContact O-CA 3.29Å; S549-V586 WeakPolarHBondContact O-CA 3.18Å; S549-Q587 PolarHBondContact N-O 2.7Å; S549-Q587 PolarHBondContact O-N 3.03Å
550	I	88.2	Confident	84.9	Confident	38 Å²	38	54.6 Å²	54.6	20%	0.195	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.9	168.5	-59.7	159.8	0	0	0	107.1	N554 F559 I561 L584 V586	I550-N554 HydrophobicContact CG2-CB 3.68Å; I550-F559 HydrophobicContact CD1-CB 4.41Å; I550-I561 HydrophobicContact CD1-CB 3.93Å; I550-I561 HydrophobicContact CD1-CG2 3.99Å; I550-I561 HydrophobicContact CG1-CB 3.95Å; I550-I561 HydrophobicContact CG1-CG2 3.73Å; I550-L584 HydrophobicContact CG2-CD2 4.46Å; I550-V586 HydrophobicContact CG1-CG1 3.96Å
551	V	87.9	Confident	85.4	Confident	76 Å²	76	53 Å²	53	46%	0.461	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-19.5	-174.7	-68.1	0	0	0	0	113.8	R585 Q587	V551-R585 HydrophobicContact CG2-CB 3.89Å; V551-R585 VanDerWaalsContact CG2-O 3.27Å; V551-R585 WeakPolarHBondContact CG2-O 3.32Å; V551-R585 PolarHBondContact N-O 3.29Å; V551-Q587 HydrophobicContact CG1-CB 3.61Å; V551-Q587 HydrophobicContact CG1-CG 4.24Å; V551-Q587 HydrophobicContact CG2-CB 4.29Å
552	A	85.8	Confident	86.1	Confident	42 Å²	42	55 Å²	55	35%	0.347	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	170	171.7	0	0	0	0	0	112.2	N554 R585	A552-N554 VanDerWaalsContact C-N 3.31Å; A552-N554 PolarHBondContact O-N 3.06Å; A552-R585 HydrophobicContact CB-CB 4Å; A552-R585 HydrophobicContact CB-CG 4.37Å; A552-R585 PolarHBondContact N-O 2.83Å; A552-R585 PolarHBondContact O-N 2.95Å
553	G	83.1	Confident	86.8	Confident	21 Å²	21	55.5 Å²	55.5	22%	0.216	31%	0.31	C	S	.	.	S	Bend	trans	78	10.9	173.6	0	0	0	0	0	115.6	E555 V583 L584	G553-E555 VanDerWaalsContact C-OE2 3.26Å; G553-E555 VanDerWaalsContact O-OE2 3.14Å; G553-V583 WeakPolarHBondContact CA-O 3.39Å; G553-L584 WeakPolarHBondContact O-CD2 3.3Å
554	N	89.6	Confident	87.6	Confident	27 Å²	27	53.1 Å²	53.1	14%	0.144	30%	0.301	C	S	.	.			trans	-111.7	54.6	179.1	-169.5	37.1	0	0	0	111	I550 A552 D557 K558 F559 L584	I550-N554 HydrophobicContact CG2-CB 3.68Å; A552-N554 VanDerWaalsContact C-N 3.31Å; A552-N554 PolarHBondContact O-N 3.06Å; N554-D557 PolarHBondContact O-N 3.34Å; N554-K558 PolarHBondContact OD1-N 2.73Å; N554-F559 PolarHBondContact ND2-O 2.76Å; N554-F559 WeakPolarHBondContact OD1-CA 3.32Å; N554-F559 WeakPolarHBondContact OD1-CB 3.35Å; N554-F559 PolarHBondContact OD1-N 3.43Å; N554-F559 PolarHBondContact OD1-O 2.84Å; N554-L584 HydrophobicContact CB-CD2 3.93Å
555	E	84.4	Confident	88.4	Confident	89 Å²	89	54.2 Å²	54.2	42%	0.416	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-57.8	140.3	178.6	-58.9	89.6	153.6	0	0	110.3	G553 D557 K558 R579	G553-E555 VanDerWaalsContact C-OE2 3.26Å; G553-E555 VanDerWaalsContact O-OE2 3.14Å; E555-D557 PolarHBondContact O-N 3.05Å; E555-K558 VanDerWaalsContact O-CG 3.23Å; E555-K558 WeakPolarHBondContact O-CG 3.42Å; E555-K558 PolarHBondContact O-N 3.39Å; E555-R579 VanDerWaalsContact CD-NH2 3.3Å; E555-R579 IonicContact OE1-CZ 3.19Å; E555-R579 IonicContact OE1-NH1 3.12Å; E555-R579 PolarHBondContact OE1-NH1 2.88Å; E555-R579 IonicContact OE1-NH2 3.29Å; E555-R579 PolarHBondContact OE1-NH2 3.35Å; E555-R579 IonicContact OE2-CZ 3.37Å; E555-R579 IonicContact OE2-NH1 3.63Å; E555-R579 PolarHBondContact OE2-NH1 2.96Å; E555-R579 IonicContact OE2-NH2 3.81Å; E555-R579 PolarHBondContact OE2-NH2 3.11Å
556	E	84.1	Confident	88.7	Confident	148 Å²	148	50.4 Å²	50.4	69%	0.692	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	57.7	21.5	-176.4	-53.4	-179.1	-178.5	0	0	115.3	K558	E556-K558 HydrophobicContact CB-CD 4.43Å; E556-K558 HydrophobicContact CB-CG 4.34Å; E556-K558 PolarHBondContact O-N 3.33Å; E556-K558 VanDerWaalsContact O-N 3.13Å; E556-K558 WeakPolarHBondContact OE2-CE 3.25Å; E556-K558 IonicContact OE2-NZ 2.83Å; E556-K558 PolarHBondContact OE2-NZ 2.93Å
557	D	89.7	Confident	89.2	Confident	105 Å²	105	51 Å²	51	56%	0.561	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	50.3	39.8	-179.6	-64.5	-49.3	0	0	0	112.3	N554 E555 F559 N571 S572	N554-D557 PolarHBondContact O-N 3.34Å; E555-D557 PolarHBondContact O-N 3.05Å; D557-F559 PolarHBondContact O-N 2.72Å; D557-N571 WeakPolarHBondContact O-CB 3.33Å; D557-N571 PolarHBondContact O-ND2 3.4Å; D557-S572 PolarHBondContact O-OG 3.04Å
558	K	90.4	Very high	89.5	Confident	32 Å²	32	49.7 Å²	49.7	14%	0.139	28%	0.281	C	S	.	.			trans	-59.5	-31.2	-178.8	-66.2	-69.5	-173.8	-161.7	0	112.5	N554 E555 E556 N571 S572 P573 L574 Y582	N554-K558 PolarHBondContact OD1-N 2.73Å; E555-K558 VanDerWaalsContact O-CG 3.23Å; E555-K558 WeakPolarHBondContact O-CG 3.42Å; E555-K558 PolarHBondContact O-N 3.39Å; E556-K558 HydrophobicContact CB-CD 4.43Å; E556-K558 HydrophobicContact CB-CG 4.34Å; E556-K558 PolarHBondContact O-N 3.33Å; E556-K558 VanDerWaalsContact O-N 3.13Å; E556-K558 WeakPolarHBondContact OE2-CE 3.25Å; E556-K558 IonicContact OE2-NZ 2.83Å; E556-K558 PolarHBondContact OE2-NZ 2.93Å; K558-N571 PolarHBondContact O-N 3.49Å; K558-S572 PolarHBondContact O-N 3.01Å; K558-S572 VanDerWaalsContact O-N 3.17Å; K558-P573 WeakPolarHBondContact CD-O 3.44Å; K558-P573 PolarHBondContact NZ-O 2.87Å; K558-L574 HydrophobicContact CB-CD2 4.14Å; K558-L574 HydrophobicContact CD-CD2 4.44Å; K558-Y582 HydrophobicContact CB-CE1 4.1Å; K558-Y582 HydrophobicContact CG-CE1 3.83Å
559	F	92.8	Very high	89.7	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.009	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.2	177.4	-56.1	-83.5	0	0	0	111.2	V534 I550 N554 D557 I568 Y569 V570 L574 Y582 L584 V626	V534-F559 HydrophobicContact CG2-CD1 3.76Å; V534-F559 HydrophobicContact CG2-CE1 3.77Å; I550-F559 HydrophobicContact CD1-CB 4.41Å; N554-F559 PolarHBondContact ND2-O 2.76Å; N554-F559 WeakPolarHBondContact OD1-CA 3.32Å; N554-F559 WeakPolarHBondContact OD1-CB 3.35Å; N554-F559 PolarHBondContact OD1-N 3.43Å; N554-F559 PolarHBondContact OD1-O 2.84Å; D557-F559 PolarHBondContact O-N 2.72Å; F559-I568 HydrophobicContact CB-CG2 4.15Å; F559-I568 HydrophobicContact CD1-CG2 4.37Å; F559-Y569 CarbonylContact C-O 3.58Å; F559-Y569 VanDerWaalsContact CA-O 3.27Å; F559-Y569 WeakPolarHBondContact CA-O 3.42Å; F559-V570 HydrophobicContact CE1-CG2 4.44Å; F559-L574 HydrophobicContact CE1-CD1 4.44Å; F559-L574 HydrophobicContact CE1-CD2 4.34Å; F559-L574 HydrophobicContact CE2-CD2 4.32Å; F559-L574 HydrophobicContact CZ-CD1 4.41Å; F559-L574 HydrophobicContact CZ-CD2 3.83Å; F559-Y582 HydrophobicContact CD2-CD1 4.42Å; F559-Y582 HydrophobicContact CD2-CG 4.4Å; F559-Y582 AromaticContact CE2-CD1 3.67Å; F559-Y582 HydrophobicContact CE2-CD1 3.67Å; F559-Y582 AromaticContact CE2-CD2 3.57Å; F559-Y582 HydrophobicContact CE2-CD2 3.57Å; F559-Y582 HydrophobicContact CE2-CE1 4.11Å; F559-Y582 HydrophobicContact CE2-CE2 4.06Å; F559-Y582 AromaticContact CE2-CG 3.37Å; F559-Y582 HydrophobicContact CE2-CG 3.37Å; F559-Y582 AromaticContact CZ-CD2 3.74Å; F559-Y582 HydrophobicContact CZ-CD2 3.74Å; F559-Y582 HydrophobicContact CZ-CE2 4.2Å; F559-Y582 AromaticContact CZ-CG 3.99Å; F559-Y582 HydrophobicContact CZ-CG 3.99Å; F559-L584 HydrophobicContact CB-CD1 4.1Å; F559-L584 HydrophobicContact CB-CD2 4.49Å; F559-L584 HydrophobicContact CD2-CD1 4.17Å; F559-L584 HydrophobicContact CD2-CD2 3.86Å; F559-L584 HydrophobicContact CD2-CG 4.48Å; F559-L584 HydrophobicContact CG-CD1 4.01Å; F559-L584 HydrophobicContact CG-CD2 4.4Å; F559-V626 HydrophobicContact CE1-CG1 3.8Å; F559-V626 HydrophobicContact CZ-CB 4.24Å; F559-V626 HydrophobicContact CZ-CG1 3.8Å
560	G	92.4	Very high	89.8	Confident	9 Å²	9	50.7 Å²	50.7	9%	0.093	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	155.2	166.6	0	0	0	0	0	110	I568 Y569	G560-I568 CarbonylContact O-C 3.59Å; G560-I568 VanDerWaalsContact O-CA 3.29Å; G560-I568 WeakPolarHBondContact O-CA 3.31Å; G560-Y569 PolarHBondContact N-O 2.87Å; G560-Y569 WeakPolarHBondContact O-CD1 3.29Å; G560-Y569 PolarHBondContact O-N 2.81Å
561	I	93.8	Very high	90	Very high	27 Å²	27	50.5 Å²	50.5	14%	0.138	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.6	171.4	-169	164.8	0	0	0	109.7	I537 I550 N563 V567 I568 V586	I537-I561 HydrophobicContact CD1-CD1 3.44Å; I537-I561 VanDerWaalsContact CD1-CD1 3.44Å; I537-I561 HydrophobicContact CG1-CD1 3.96Å; I550-I561 HydrophobicContact CD1-CB 3.93Å; I550-I561 HydrophobicContact CD1-CG2 3.99Å; I550-I561 HydrophobicContact CG1-CB 3.95Å; I550-I561 HydrophobicContact CG1-CG2 3.73Å; I561-N563 PolarHBondContact O-N 2.86Å; I561-V567 CarbonylContact C-O 3.42Å; I561-V567 WeakPolarHBondContact CA-O 3.23Å; I561-I568 HydrophobicContact CB-CG1 4.47Å; I561-I568 HydrophobicContact CD1-CG1 3.98Å; I561-I568 HydrophobicContact CG1-CG1 4.1Å; I561-V586 HydrophobicContact CD1-CG1 4.34Å
562	N	92.8	Very high	90.1	Very high	63 Å²	63	48.4 Å²	48.4	34%	0.337	27%	0.267	S	S	.	.			trans	-75	116.3	168.7	-175.7	-50.3	0	0	0	108.9	V564 T565 G566 V567	N562-V564 PolarHBondContact O-N 2.82Å; N562-V564 VanDerWaalsContact O-N 3.13Å; N562-V564 PolarHBondContact OD1-N 3.08Å; N562-T565 WeakPolarHBondContact CB-OG1 3.28Å; N562-T565 PolarHBondContact O-N 2.78Å; N562-T565 PolarHBondContact OD1-N 3.21Å; N562-T565 PolarHBondContact OD1-OG1 3.29Å; N562-G566 WeakPolarHBondContact O-CA 3.37Å; N562-G566 PolarHBondContact O-N 2.9Å; N562-V567 HydrophobicContact CB-CB 4.31Å; N562-V567 PolarHBondContact N-O 3.1Å
563	N	90.8	Very high	90.2	Very high	92 Å²	92	51.4 Å²	51.4	49%	0.492	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.7	-173.9	65.2	-10.1	0	0	0	114.6	V547 Y548 I561	V547-N563 WeakPolarHBondContact CA-O 3.29Å; V547-N563 HydrophobicContact CG1-CB 4.14Å; Y548-N563 PolarHBondContact N-O 2.93Å; Y548-N563 WeakPolarHBondContact O-CA 3.33Å; Y548-N563 WeakPolarHBondContact O-CB 3.4Å; I561-N563 PolarHBondContact O-N 2.86Å
564	V	89.3	Confident	90.5	Very high	109 Å²	109	51 Å²	51	66%	0.661	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-43.4	176.3	-177.6	0	0	0	0	111.6	N562	N562-V564 PolarHBondContact O-N 2.82Å; N562-V564 VanDerWaalsContact O-N 3.13Å; N562-V564 PolarHBondContact OD1-N 3.08Å
565	T	89.7	Confident	90.3	Very high	70 Å²	70	52.6 Å²	52.6	43%	0.429	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-12.5	-172	67	0	0	0	0	114.2	N562 V567	N562-T565 WeakPolarHBondContact CB-OG1 3.28Å; N562-T565 PolarHBondContact O-N 2.78Å; N562-T565 PolarHBondContact OD1-N 3.21Å; N562-T565 PolarHBondContact OD1-OG1 3.29Å; T565-V567 PolarHBondContact O-N 3.36Å; T565-V567 WeakPolarHBondContact OG1-CG2 3.44Å; T565-V567 PolarHBondContact OG1-N 2.82Å
566	G	89.2	Confident	90.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.			trans	68.4	11.4	-176	0	0	0	0	0	114	V536 I537 N562 I568	V536-G566 WeakPolarHBondContact CA-O 3.41Å; I537-G566 WeakPolarHBondContact CG1-O 3.33Å; I537-G566 PolarHBondContact N-O 2.79Å; I537-G566 WeakPolarHBondContact O-CA 3.07Å; N562-G566 WeakPolarHBondContact O-CA 3.37Å; N562-G566 PolarHBondContact O-N 2.9Å; G566-I568 PolarHBondContact O-N 2.74Å
567	V	93.3	Very high	90.5	Very high	36 Å²	36	51.3 Å²	51.3	22%	0.218	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	118.8	176.8	176	0	0	0	0	109.3	V533 V536 I561 N562 T565	V533-V567 HydrophobicContact CG1-CG1 3.97Å; V533-V567 HydrophobicContact CG2-CG1 3.97Å; V536-V567 HydrophobicContact CG1-CG2 4.49Å; V536-V567 HydrophobicContact CG2-CG2 3.94Å; I561-V567 CarbonylContact C-O 3.42Å; I561-V567 WeakPolarHBondContact CA-O 3.23Å; N562-V567 HydrophobicContact CB-CB 4.31Å; N562-V567 PolarHBondContact N-O 3.1Å; T565-V567 PolarHBondContact O-N 3.36Å; T565-V567 WeakPolarHBondContact OG1-CG2 3.44Å; T565-V567 PolarHBondContact OG1-N 2.82Å
568	I	92.4	Very high	90.2	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	129.9	170.8	-57	174.1	0	0	0	108.1	V534 G535 I537 F559 G560 I561 G566 L584 V586 L624	V534-I568 HydrophobicContact CB-CB 4.42Å; V534-I568 HydrophobicContact CB-CG2 4.13Å; V534-I568 HydrophobicContact CG2-CG2 4.47Å; V534-I568 PolarHBondContact N-O 3.07Å; G535-I568 PolarHBondContact N-O 3.23Å; G535-I568 PolarHBondContact O-N 2.9Å; I537-I568 HydrophobicContact CG2-CD1 4.07Å; F559-I568 HydrophobicContact CB-CG2 4.15Å; F559-I568 HydrophobicContact CD1-CG2 4.37Å; G560-I568 CarbonylContact O-C 3.59Å; G560-I568 VanDerWaalsContact O-CA 3.29Å; G560-I568 WeakPolarHBondContact O-CA 3.31Å; I561-I568 HydrophobicContact CB-CG1 4.47Å; I561-I568 HydrophobicContact CD1-CG1 3.98Å; I561-I568 HydrophobicContact CG1-CG1 4.1Å; G566-I568 PolarHBondContact O-N 2.74Å; I568-L584 HydrophobicContact CD1-CD1 4.33Å; I568-L584 HydrophobicContact CG2-CD1 3.87Å; I568-V586 HydrophobicContact CD1-CG1 4.32Å; I568-L624 HydrophobicContact CD1-CD1 4.03Å
569	Y	93.6	Very high	90	Very high	78 Å²	78	53.6 Å²	53.6	31%	0.306	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	155.9	-177.6	61.5	-90.3	0	0	0	112.1	T532 F559 G560 N571	T532-Y569 CarbonylContact O-C 3.53Å; T532-Y569 WeakPolarHBondContact O-CA 3.31Å; T532-Y569 WeakPolarHBondContact O-CB 3.34Å; F559-Y569 CarbonylContact C-O 3.58Å; F559-Y569 VanDerWaalsContact CA-O 3.27Å; F559-Y569 WeakPolarHBondContact CA-O 3.42Å; G560-Y569 PolarHBondContact N-O 2.87Å; G560-Y569 WeakPolarHBondContact O-CD1 3.29Å; G560-Y569 PolarHBondContact O-N 2.81Å; Y569-N571 HydrophobicContact CD2-CB 4.49Å; Y569-N571 HydrophobicContact CE2-CB 4.12Å; Y569-N571 PolarHBondContact O-N 2.86Å
570	V	93	Very high	89.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	118.1	174	179.6	0	0	0	0	109.2	V524 A528 G531 T532 V534 F559 S572 L574	V524-V570 HydrophobicContact CG1-CG2 3.69Å; A528-V570 HydrophobicContact CB-CG2 4.16Å; G531-V570 PolarHBondContact N-O 2.85Å; T532-V570 PolarHBondContact O-N 2.96Å; V534-V570 HydrophobicContact CG2-CG2 3.91Å; F559-V570 HydrophobicContact CE1-CG2 4.44Å; V570-S572 WeakPolarHBondContact CG1-O 3.19Å; V570-L574 HydrophobicContact CG1-CD1 4.38Å; V570-L574 HydrophobicContact CG1-CG 4.15Å; V570-L574 HydrophobicContact CG2-CD1 4.04Å
571	N	93	Very high	89.5	Confident	33 Å²	33	59.6 Å²	59.6	18%	0.176	33%	0.325	C	S	.	.			trans	-101.6	-26.8	-179.8	-179	53	0	0	0	112.9	R530 D557 K558 Y569	R530-N571 VanDerWaalsContact CD-O 3.29Å; R530-N571 WeakPolarHBondContact CD-O 3.26Å; R530-N571 WeakPolarHBondContact CG-O 3.35Å; R530-N571 PolarHBondContact NE-O 3Å; R530-N571 PolarHBondContact NE-OD1 3.09Å; R530-N571 PolarHBondContact NH2-OD1 2.87Å; D557-N571 WeakPolarHBondContact O-CB 3.33Å; D557-N571 PolarHBondContact O-ND2 3.4Å; K558-N571 PolarHBondContact O-N 3.49Å; Y569-N571 HydrophobicContact CD2-CB 4.49Å; Y569-N571 HydrophobicContact CE2-CB 4.12Å; Y569-N571 PolarHBondContact O-N 2.86Å
572	S	90.2	Very high	89.2	Confident	33 Å²	33	58.6 Å²	58.6	23%	0.231	32%	0.319	C	S	.	.	S	Bend	trans	-136.6	157	177	-59.7	0	0	0	0	110.9	D557 K558 V570 L574	D557-S572 PolarHBondContact O-OG 3.04Å; K558-S572 PolarHBondContact O-N 3.01Å; K558-S572 VanDerWaalsContact O-N 3.17Å; V570-S572 WeakPolarHBondContact CG1-O 3.19Å; S572-L574 PolarHBondContact O-N 3.35Å
573	P	87.2	Confident	89	Confident	105 Å²	105	59.1 Å²	59.1	68%	0.682	32%	0.324	S	S	*	.			trans	-53.5	135.9	179.1	-25.2	34.1	0	0	0	112.3	K558	K558-P573 WeakPolarHBondContact CD-O 3.44Å; K558-P573 PolarHBondContact NZ-O 2.87Å
574	L	88.2	Confident	88.8	Confident	11 Å²	11	54.7 Å²	54.7	6%	0.058	30%	0.301	C	S	.	.			trans	-94.7	151.9	175.2	-59.7	178.3	0	0	0	108.8	V524 K558 F559 V570 S572 Y582 V628	V524-L574 HydrophobicContact CB-CD1 4.18Å; V524-L574 HydrophobicContact CG1-CD1 3.67Å; K558-L574 HydrophobicContact CB-CD2 4.14Å; K558-L574 HydrophobicContact CD-CD2 4.44Å; F559-L574 HydrophobicContact CE1-CD1 4.44Å; F559-L574 HydrophobicContact CE1-CD2 4.34Å; F559-L574 HydrophobicContact CE2-CD2 4.32Å; F559-L574 HydrophobicContact CZ-CD1 4.41Å; F559-L574 HydrophobicContact CZ-CD2 3.83Å; V570-L574 HydrophobicContact CG1-CD1 4.38Å; V570-L574 HydrophobicContact CG1-CG 4.15Å; V570-L574 HydrophobicContact CG2-CD1 4.04Å; S572-L574 PolarHBondContact O-N 3.35Å; L574-Y582 HydrophobicContact CD2-CE2 4.02Å; L574-V628 HydrophobicContact CB-CG1 4.36Å
575	D	86.8	Confident	88.7	Confident	62 Å²	62	55.7 Å²	55.7	33%	0.332	29%	0.293	S	S	.	.			trans	-139.8	113.3	-177.1	169.2	-32.5	0	0	0	106.2	E577 T578 R579	D575-E577 VanDerWaalsContact C-N 3.33Å; D575-E577 WeakPolarHBondContact OD1-CA 3.43Å; D575-E577 WeakPolarHBondContact OD1-CB 3.33Å; D575-E577 PolarHBondContact OD1-N 2.8Å; D575-T578 HydrophobicContact CB-CG2 4.46Å; D575-T578 VanDerWaalsContact CB-OG1 3.31Å; D575-T578 WeakPolarHBondContact CB-OG1 3.37Å; D575-T578 PolarHBondContact O-OG1 2.79Å; D575-T578 WeakPolarHBondContact OD1-CG2 3.44Å; D575-T578 PolarHBondContact OD1-N 3.33Å; D575-T578 PolarHBondContact OD1-OG1 2.81Å; D575-T578 VanDerWaalsContact OD1-OG1 3.1Å; D575-T578 WeakPolarHBondContact OD2-CG2 3.28Å; D575-R579 PolarHBondContact O-N 3Å
576	Y	86.4	Confident	88.6	Confident	82 Å²	82	52.4 Å²	52.4	32%	0.322	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-32.2	-175.4	179	-92	0	0	0	111.9	E526 T578 T580 V628 H630	E526-Y576 WeakPolarHBondContact OE2-CB 3.37Å; E526-Y576 PolarHBondContact OE2-N 2.78Å; Y576-T578 VanDerWaalsContact C-N 3.31Å; Y576-T578 PolarHBondContact O-N 2.92Å; Y576-T580 HydrophobicContact CD2-CG2 4.3Å; Y576-T580 HydrophobicContact CE1-CG2 4.25Å; Y576-T580 HydrophobicContact CE2-CG2 3.94Å; Y576-V628 HydrophobicContact CD2-CB 4.24Å; Y576-V628 HydrophobicContact CD2-CG1 4.14Å; Y576-V628 VanDerWaalsContact CD2-O 3.24Å; Y576-V628 WeakPolarHBondContact CD2-O 3.4Å; Y576-V628 WeakPolarHBondContact CE2-O 3.28Å; Y576-H630 HydrophobicContact CD1-CB 3.6Å; Y576-H630 AromaticContact CD1-CD2 3.61Å; Y576-H630 AromaticContact CD1-CG 3.96Å; Y576-H630 HydrophobicContact CD2-CB 4.03Å; Y576-H630 VanDerWaalsContact CD2-N 3.33Å; Y576-H630 HydrophobicContact CE1-CB 3.72Å; Y576-H630 HydrophobicContact CE2-CB 4.14Å; Y576-H630 HydrophobicContact CG-CB 3.75Å
577	E	85	Confident	88.4	Confident	127 Å²	127	52.9 Å²	52.9	59%	0.593	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-33.4	179.5	-69.3	64.8	-137.6	0	0	112.3	D575 H630	D575-E577 VanDerWaalsContact C-N 3.33Å; D575-E577 WeakPolarHBondContact OD1-CA 3.43Å; D575-E577 WeakPolarHBondContact OD1-CB 3.33Å; D575-E577 PolarHBondContact OD1-N 2.8Å; E577-H630 IonicContact OE1-CD2 3.92Å; E577-H630 PolarHBondContact OE1-CD2 3.33Å; E577-H630 IonicContact OE1-NE2 2.74Å; E577-H630 PolarHBondContact OE1-NE2 3.45Å
578	T	84.7	Confident	87.9	Confident	101 Å²	101	51.3 Å²	51.3	62%	0.62	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-40	179.2	56	0	0	0	0	112.9	D575 Y576	D575-T578 HydrophobicContact CB-CG2 4.46Å; D575-T578 VanDerWaalsContact CB-OG1 3.31Å; D575-T578 WeakPolarHBondContact CB-OG1 3.37Å; D575-T578 PolarHBondContact O-OG1 2.79Å; D575-T578 WeakPolarHBondContact OD1-CG2 3.44Å; D575-T578 PolarHBondContact OD1-N 3.33Å; D575-T578 PolarHBondContact OD1-OG1 2.81Å; D575-T578 VanDerWaalsContact OD1-OG1 3.1Å; D575-T578 WeakPolarHBondContact OD2-CG2 3.28Å; Y576-T578 VanDerWaalsContact C-N 3.31Å; Y576-T578 PolarHBondContact O-N 2.92Å
579	R	84.9	Confident	87.2	Confident	84 Å²	84	52 Å²	52	32%	0.317	27%	0.269	S	S	.	.			trans	-153.2	111.2	-177	-144.4	-178.8	-167.9	168.9	-2.2	112.5	E555 D575 S581 Y582 V628	E555-R579 VanDerWaalsContact CD-NH2 3.3Å; E555-R579 IonicContact OE1-CZ 3.19Å; E555-R579 IonicContact OE1-NH1 3.12Å; E555-R579 PolarHBondContact OE1-NH1 2.88Å; E555-R579 IonicContact OE1-NH2 3.29Å; E555-R579 PolarHBondContact OE1-NH2 3.35Å; E555-R579 IonicContact OE2-CZ 3.37Å; E555-R579 IonicContact OE2-NH1 3.63Å; E555-R579 PolarHBondContact OE2-NH1 2.96Å; E555-R579 IonicContact OE2-NH2 3.81Å; E555-R579 PolarHBondContact OE2-NH2 3.11Å; D575-R579 PolarHBondContact O-N 3Å; R579-S581 VanDerWaalsContact C-N 3.33Å; R579-S581 WeakPolarHBondContact CG-O 3.49Å; R579-S581 PolarHBondContact O-N 3.36Å; R579-Y582 HydrophobicContact CB-CE2 4.22Å; R579-V628 WeakPolarHBondContact O-CG2 3.42Å
580	T	86.8	Confident	86.4	Confident	78 Å²	78	48.5 Å²	48.5	48%	0.479	26%	0.256	S	S	.	.	S	Bend	trans	-79.4	-13.3	-179	58.6	0	0	0	0	113.9	Y576 V628	Y576-T580 HydrophobicContact CD2-CG2 4.3Å; Y576-T580 HydrophobicContact CE1-CG2 4.25Å; Y576-T580 HydrophobicContact CE2-CG2 3.94Å; T580-V628 PolarHBondContact O-N 2.81Å
581	S	88.3	Confident	85.5	Confident	60 Å²	60	52 Å²	52	42%	0.42	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	151.8	176.7	61.2	0	0	0	0	112.7	R579 V626	R579-S581 VanDerWaalsContact C-N 3.33Å; R579-S581 WeakPolarHBondContact CG-O 3.49Å; R579-S581 PolarHBondContact O-N 3.36Å; S581-V626 CarbonylContact C-O 3.52Å; S581-V626 VanDerWaalsContact CA-O 3.27Å; S581-V626 WeakPolarHBondContact CA-O 3.35Å
582	Y	87.4	Confident	84.3	Confident	6 Å²	6	56.6 Å²	56.6	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.8	172.3	-66.5	-102.5	0	0	0	109.7	K558 F559 L574 R579 G625 V626 V628	K558-Y582 HydrophobicContact CB-CE1 4.1Å; K558-Y582 HydrophobicContact CG-CE1 3.83Å; F559-Y582 HydrophobicContact CD2-CD1 4.42Å; F559-Y582 HydrophobicContact CD2-CG 4.4Å; F559-Y582 AromaticContact CE2-CD1 3.67Å; F559-Y582 HydrophobicContact CE2-CD1 3.67Å; F559-Y582 AromaticContact CE2-CD2 3.57Å; F559-Y582 HydrophobicContact CE2-CD2 3.57Å; F559-Y582 HydrophobicContact CE2-CE1 4.11Å; F559-Y582 HydrophobicContact CE2-CE2 4.06Å; F559-Y582 AromaticContact CE2-CG 3.37Å; F559-Y582 HydrophobicContact CE2-CG 3.37Å; F559-Y582 AromaticContact CZ-CD2 3.74Å; F559-Y582 HydrophobicContact CZ-CD2 3.74Å; F559-Y582 HydrophobicContact CZ-CE2 4.2Å; F559-Y582 AromaticContact CZ-CG 3.99Å; F559-Y582 HydrophobicContact CZ-CG 3.99Å; L574-Y582 HydrophobicContact CD2-CE2 4.02Å; R579-Y582 HydrophobicContact CB-CE2 4.22Å; Y582-G625 CarbonylContact O-C 3.53Å; Y582-G625 WeakPolarHBondContact O-CA 3.32Å; Y582-V626 PolarHBondContact N-O 2.87Å; Y582-V626 PolarHBondContact O-N 3.23Å; Y582-V628 HydrophobicContact CD2-CG2 3.93Å; Y582-V628 HydrophobicContact CE2-CG2 3.77Å
583	V	88.2	Confident	83	Confident	73 Å²	73	55.9 Å²	55.9	44%	0.442	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	97.7	174.9	-178.7	0	0	0	0	107.8	G553 E623	G553-V583 WeakPolarHBondContact CA-O 3.39Å; V583-E623 HydrophobicContact CG1-CB 4.12Å; V583-E623 HydrophobicContact CG1-CG 4.21Å
584	L	88.4	Confident	82	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.4	-178.7	-58.9	177.9	0	0	0	109.7	I550 G553 N554 F559 I568 V586 E623 L624 V626	I550-L584 HydrophobicContact CG2-CD2 4.46Å; G553-L584 WeakPolarHBondContact O-CD2 3.3Å; N554-L584 HydrophobicContact CB-CD2 3.93Å; F559-L584 HydrophobicContact CB-CD1 4.1Å; F559-L584 HydrophobicContact CB-CD2 4.49Å; F559-L584 HydrophobicContact CD2-CD1 4.17Å; F559-L584 HydrophobicContact CD2-CD2 3.86Å; F559-L584 HydrophobicContact CD2-CG 4.48Å; F559-L584 HydrophobicContact CG-CD1 4.01Å; F559-L584 HydrophobicContact CG-CD2 4.4Å; I568-L584 HydrophobicContact CD1-CD1 4.33Å; I568-L584 HydrophobicContact CG2-CD1 3.87Å; L584-V586 HydrophobicContact CB-CG1 4.43Å; L584-E623 CarbonylContact O-C 3.51Å; L584-E623 WeakPolarHBondContact O-CA 3.38Å; L584-L624 PolarHBondContact N-O 3.18Å; L584-L624 PolarHBondContact O-N 3.43Å; L584-V626 HydrophobicContact CD1-CG2 3.89Å; L584-V626 HydrophobicContact CG-CG2 4.28Å
585	R	86.7	Confident	81	Confident	130 Å²	130	56 Å²	56	49%	0.491	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.2	165.3	-73.5	-176.1	177.5	178.2	-0.4	109	V551 A552 L622 E623	V551-R585 HydrophobicContact CG2-CB 3.89Å; V551-R585 VanDerWaalsContact CG2-O 3.27Å; V551-R585 WeakPolarHBondContact CG2-O 3.32Å; V551-R585 PolarHBondContact N-O 3.29Å; A552-R585 HydrophobicContact CB-CB 4Å; A552-R585 HydrophobicContact CB-CG 4.37Å; A552-R585 PolarHBondContact N-O 2.83Å; A552-R585 PolarHBondContact O-N 2.95Å; R585-L622 WeakPolarHBondContact CA-O 3.37Å; R585-E623 HydrophobicContact CG-CG 3.67Å; R585-E623 IonicContact CZ-OE1 3.13Å; R585-E623 IonicContact NE-OE1 2.69Å; R585-E623 PolarHBondContact NE-OE1 3.17Å; R585-E623 IonicContact NH2-OE1 2.68Å; R585-E623 PolarHBondContact NH2-OE1 2.95Å
586	V	87.7	Confident	79.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	145.6	-178.7	-63.8	0	0	0	0	111.4	F514 I537 S549 I550 I561 I568 L584 G621 L622	F514-V586 HydrophobicContact CE1-CG2 4.43Å; F514-V586 HydrophobicContact CZ-CG2 4Å; I537-V586 HydrophobicContact CD1-CB 3.72Å; I537-V586 HydrophobicContact CD1-CG1 4.15Å; I537-V586 HydrophobicContact CD1-CG2 3.5Å; S549-V586 CarbonylContact O-C 3.57Å; S549-V586 VanDerWaalsContact O-CA 3.29Å; S549-V586 WeakPolarHBondContact O-CA 3.18Å; I550-V586 HydrophobicContact CG1-CG1 3.96Å; I561-V586 HydrophobicContact CD1-CG1 4.34Å; I568-V586 HydrophobicContact CD1-CG1 4.32Å; L584-V586 HydrophobicContact CB-CG1 4.43Å; V586-G621 CarbonylContact O-C 3.59Å; V586-G621 VanDerWaalsContact O-CA 3.25Å; V586-G621 WeakPolarHBondContact O-CA 3.41Å; V586-L622 HydrophobicContact CG2-CB 3.81Å; V586-L622 HydrophobicContact CG2-CD2 4.01Å; V586-L622 HydrophobicContact CG2-CG 4.4Å; V586-L622 WeakPolarHBondContact CG2-O 3.2Å; V586-L622 PolarHBondContact N-O 3.05Å; V586-L622 PolarHBondContact O-N 2.9Å
587	Q	84.8	Confident	78.2	Confident	11 Å²	11	56.5 Å²	56.5	5%	0.051	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.8	-174.7	158.9	147.3	-8.2	0	0	108.9	Y548 S549 V551 D589 S617 S619	Y548-Q587 CarbonylContact C-O 3.2Å; Y548-Q587 WeakPolarHBondContact CA-O 3.49Å; S549-Q587 PolarHBondContact N-O 2.7Å; S549-Q587 PolarHBondContact O-N 3.03Å; V551-Q587 HydrophobicContact CG1-CB 3.61Å; V551-Q587 HydrophobicContact CG1-CG 4.24Å; V551-Q587 HydrophobicContact CG2-CB 4.29Å; Q587-D589 VanDerWaalsContact CD-OD2 3.31Å; Q587-D589 WeakPolarHBondContact CG-OD2 3.35Å; Q587-D589 PolarHBondContact NE2-OD1 2.82Å; Q587-D589 PolarHBondContact NE2-OD2 2.65Å; Q587-S617 PolarHBondContact NE2-OG 2.99Å; Q587-S617 PolarHBondContact OE1-OG 2.87Å; Q587-S619 WeakPolarHBondContact CB-OG 3.43Å; Q587-S619 WeakPolarHBondContact CG-OG 3.13Å; Q587-S619 VanDerWaalsContact OE1-CB 3.23Å; Q587-S619 PolarHBondContact OE1-OG 2.8Å
588	A	83	Confident	76.6	Confident	3 Å²	3	56.8 Å²	56.8	3%	0.025	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	113.8	169.8	0	0	0	0	0	109.3	P512 F514 A539 I546 Y548	P512-A588 HydrophobicContact CB-CB 4.32Å; F514-A588 HydrophobicContact CE1-CB 3.79Å; F514-A588 HydrophobicContact CE2-CB 4.5Å; F514-A588 HydrophobicContact CZ-CB 3.77Å; A539-A588 HydrophobicContact CB-CB 3.65Å; I546-A588 HydrophobicContact CG2-CB 3.81Å; Y548-A588 HydrophobicContact CD1-CB 4.05Å; Y548-A588 HydrophobicContact CE1-CB 4.06Å
589	D	77.3	Confident	74.6	Confident	14 Å²	14	61.6 Å²	61.6	8%	0.075	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	157	177.9	-65.3	-48.2	0	0	0	111.1	I546 V547 Q587 V593 V594	I546-D589 CarbonylContact C-O 3.6Å; I546-D589 VanDerWaalsContact CA-O 3.3Å; I546-D589 WeakPolarHBondContact CA-O 3.44Å; V547-D589 PolarHBondContact N-O 3.47Å; V547-D589 PolarHBondContact O-N 2.91Å; Q587-D589 VanDerWaalsContact CD-OD2 3.31Å; Q587-D589 WeakPolarHBondContact CG-OD2 3.35Å; Q587-D589 PolarHBondContact NE2-OD1 2.82Å; Q587-D589 PolarHBondContact NE2-OD2 2.65Å; D589-V593 HydrophobicContact CB-CG1 4.47Å; D589-V594 HydrophobicContact CB-CG2 3.82Å
590	S	77	Confident	72.4	Confident	5 Å²	5	63 Å²	63	4%	0.035	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	145.9	165.6	82.4	0	0	0	0	110.1	S545 E592 V593 V594	S545-S590 CarbonylContact O-C 3.57Å; S545-S590 WeakPolarHBondContact O-CA 3.33Å; S590-E592 PolarHBondContact O-N 3.39Å; S590-E592 VanDerWaalsContact O-N 3.16Å; S590-V593 WeakPolarHBondContact O-CB 3.42Å; S590-V593 PolarHBondContact O-N 2.86Å; S590-V593 VanDerWaalsContact OG-CG2 3.27Å; S590-V593 WeakPolarHBondContact OG-CG2 3.24Å; S590-V593 PolarHBondContact OG-N 3.34Å; S590-V593 VanDerWaalsContact OG-N 3.14Å; S590-V594 PolarHBondContact O-N 3.38Å; S590-V594 VanDerWaalsContact O-N 3.08Å
591	L	74.2	Confident	70.1	Confident	75 Å²	75	64.5 Å²	64.5	39%	0.393	34%	0.34	S	S	.	.	H	α-helix	trans	-56.2	-32.7	176.1	-178.2	63	0	0	0	111.4	S545 V547 V594 L595	S545-L591 WeakPolarHBondContact O-CB 3.48Å; S545-L591 PolarHBondContact O-N 2.79Å; V547-L591 HydrophobicContact CG2-CB 4.17Å; V547-L591 HydrophobicContact CG2-CD1 3.76Å; L591-V594 PolarHBondContact O-N 3.46Å; L591-L595 HydrophobicContact CG-CD1 4.13Å; L591-L595 WeakPolarHBondContact O-CB 3.39Å; L591-L595 WeakPolarHBondContact O-CG 3.46Å; L591-L595 PolarHBondContact O-N 2.86Å
592	E	66.7	Low	67.3	Low	129 Å²	129	67.3 Å²	67.3	60%	0.603	36%	0.36	S	S	*	.	H	α-helix	trans	-66	-41.4	176.9	-165.3	168.8	-157.7	0	0	112.3	S590 L595 A596	S590-E592 PolarHBondContact O-N 3.39Å; S590-E592 VanDerWaalsContact O-N 3.16Å; E592-L595 PolarHBondContact O-N 2.88Å; E592-A596 WeakPolarHBondContact O-CB 2.99Å; E592-A596 PolarHBondContact O-N 3.39Å
593	V	63.5	Low	64.6	Low	18 Å²	18	76.1 Å²	76.1	11%	0.109	40%	0.398	C	S	.	.	H	α-helix	trans	-63.8	-42.9	173.7	169.4	0	0	0	0	111	L418 D589 S590 L595 A596 N597	L418-V593 HydrophobicContact CB-CG2 3.81Å; L418-V593 HydrophobicContact CD1-CG2 3.78Å; L418-V593 HydrophobicContact CG-CG2 4.41Å; D589-V593 HydrophobicContact CB-CG1 4.47Å; S590-V593 WeakPolarHBondContact O-CB 3.42Å; S590-V593 PolarHBondContact O-N 2.86Å; S590-V593 VanDerWaalsContact OG-CG2 3.27Å; S590-V593 WeakPolarHBondContact OG-CG2 3.24Å; S590-V593 PolarHBondContact OG-N 3.34Å; S590-V593 VanDerWaalsContact OG-N 3.14Å; V593-L595 VanDerWaalsContact C-N 3.32Å; V593-L595 PolarHBondContact O-N 3.08Å; V593-A596 PolarHBondContact O-N 2.9Å; V593-N597 PolarHBondContact O-N 3.47Å; V593-N597 PolarHBondContact O-ND2 2.98Å
594	V	66.4	Low	62.1	Low	38 Å²	38	78 Å²	78	23%	0.23	42%	0.415	C	S	.	.	H	α-helix	trans	-62	-42.1	176.9	178.2	0	0	0	0	111	V547 D589 S590 L591 N597 L598	V547-V594 HydrophobicContact CB-CG2 3.91Å; V547-V594 HydrophobicContact CG1-CG2 4.2Å; V547-V594 HydrophobicContact CG2-CG2 4.08Å; D589-V594 HydrophobicContact CB-CG2 3.82Å; S590-V594 PolarHBondContact O-N 3.38Å; S590-V594 VanDerWaalsContact O-N 3.08Å; L591-V594 PolarHBondContact O-N 3.46Å; V594-N597 PolarHBondContact O-N 2.77Å; V594-L598 HydrophobicContact CG1-CD1 4.14Å; V594-L598 WeakPolarHBondContact O-CD1 3.07Å; V594-L598 WeakPolarHBondContact O-CG 3.36Å; V594-L598 PolarHBondContact O-N 3.19Å; V594-L598 VanDerWaalsContact O-N 3.16Å
595	L	67.3	Low	59.2	Low	81 Å²	81	86.8 Å²	86.8	42%	0.424	46%	0.461	S	S	.	.	H	α-helix	trans	-68.7	-34.2	176.8	-70.7	170.7	0	0	0	113.1	L591 E592 V593 L598 R599	L591-L595 HydrophobicContact CG-CD1 4.13Å; L591-L595 WeakPolarHBondContact O-CB 3.39Å; L591-L595 WeakPolarHBondContact O-CG 3.46Å; L591-L595 PolarHBondContact O-N 2.86Å; E592-L595 PolarHBondContact O-N 2.88Å; V593-L595 VanDerWaalsContact C-N 3.32Å; V593-L595 PolarHBondContact O-N 3.08Å; L595-L598 PolarHBondContact O-N 2.81Å; L595-R599 PolarHBondContact O-N 2.9Å
596	A	57	Low	56.7	Low	49 Å²	49	85.3 Å²	85.3	41%	0.405	47%	0.47	S	S	.	.	H	α-helix	trans	-67.3	-42.4	175.3	0	0	0	0	0	111.5	E592 V593 L598 R599	E592-A596 WeakPolarHBondContact O-CB 2.99Å; E592-A596 PolarHBondContact O-N 3.39Å; V593-A596 PolarHBondContact O-N 2.9Å; A596-L598 VanDerWaalsContact C-N 3.28Å; A596-L598 PolarHBondContact O-N 3.35Å; A596-R599 PolarHBondContact O-N 2.03Å; A596-R599 VanDerWaalsContact O-N 3.11Å
597	N	56.2	Low	54	Low	104 Å²	104	92.5 Å²	92.5	56%	0.556	51%	0.514	S	S	*	.	H	α-helix	trans	-65.7	-30.1	176.3	-70	-23.7	0	0	0	112.6	V593 V594 R599	V593-N597 PolarHBondContact O-N 3.47Å; V593-N597 PolarHBondContact O-ND2 2.98Å; V594-N597 PolarHBondContact O-N 2.77Å; N597-R599 VanDerWaalsContact C-N 3.32Å
598	L	52	Low	51.7	Low	133 Å²	133	98.7 Å²	98.7	70%	0.696	55%	0.546	S	S	*	.	H	α-helix	trans	-74.7	-18	174.3	-77	160.5	0	0	0	113.7	V594 L595 A596	V594-L598 HydrophobicContact CG1-CD1 4.14Å; V594-L598 WeakPolarHBondContact O-CD1 3.07Å; V594-L598 WeakPolarHBondContact O-CG 3.36Å; V594-L598 PolarHBondContact O-N 3.19Å; V594-L598 VanDerWaalsContact O-N 3.16Å; L595-L598 PolarHBondContact O-N 2.81Å; A596-L598 VanDerWaalsContact C-N 3.28Å; A596-L598 PolarHBondContact O-N 3.35Å
599	R	43.4	Very low	49.3	Very low	202 Å²	202	103.6 Å²	103.6	76%	0.762	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	2	-174.6	-87.6	-177.4	-176.9	159.9	2.8	114.9	L595 A596 N597 P601	L595-R599 PolarHBondContact O-N 2.9Å; A596-R599 PolarHBondContact O-N 2.03Å; A596-R599 VanDerWaalsContact O-N 3.11Å; N597-R599 VanDerWaalsContact C-N 3.32Å; R599-P601 WeakPolarHBondContact O-CD 3.23Å; R599-P601 WeakPolarHBondContact O-CG 3.39Å
600	V	37.8	Very low	46.8	Very low	114 Å²	114	109.8 Å²	109.8	69%	0.691	62%	0.62	S	S	*	*			trans	-77.5	101.7	175.6	-171.6	0	0	0	0	109.2	S602	V600-S602 PolarHBondContact O-N 2.8Å
601	P	38	Very low	44.6	Very low	110 Å²	110	113.1 Å²	113.1	71%	0.714	64%	0.643	S	S	*	*			trans	-80.4	114.9	178.1	0.6	22.3	0	0	0	106.8	R599 K603	R599-P601 WeakPolarHBondContact O-CD 3.23Å; R599-P601 WeakPolarHBondContact O-CG 3.39Å; P601-K603 VanDerWaalsContact C-N 3.32Å; P601-K603 PolarHBondContact O-N 3.44Å
602	S	29.7	Very low	42.4	Very low	118 Å²	118	121.1 Å²	121.1	83%	0.825	67%	0.668	S	S	*	*			trans	-65.5	87	170.5	55.1	0	0	0	0	110.4	V600	V600-S602 PolarHBondContact O-N 2.8Å
603	K	31.8	Very low	40.4	Very low	192 Å²	192	126.6 Å²	126.6	84%	0.835	68%	0.684	S	S	*	*			trans	-153.4	102.4	167.4	-79.7	-165.4	178.4	177.9	0	112.1	P601	P601-K603 VanDerWaalsContact C-N 3.32Å; P601-K603 PolarHBondContact O-N 3.44Å
604	S	34.2	Very low	38.8	Very low	113 Å²	113	132 Å²	132	79%	0.79	72%	0.717	S	S	*	*				173.5	127.4	101.9	59.7	0	0	0	0	110.1	S606	S604-S606 PolarHBondContact O-N 3.42Å
605	L	28.1	Very low	37.1	Very low	184 Å²	184	139.8 Å²	139.8	96%	0.963	75%	0.751	S	S	*	*			trans	-52.4	121.5	176.7	-85.9	73.9	0	0	0	112.3
606	S	34.7	Very low	35.3	Very low	99 Å²	99	141 Å²	141	69%	0.692	76%	0.761	S	S	*	*			trans	-149.6	142.2	140.3	45.7	0	0	0	0	107.5	S604 I608	S604-S606 PolarHBondContact O-N 3.42Å; S606-I608 PolarHBondContact O-N 3.3Å
607	V	31.2	Very low	34.3	Very low	151 Å²	151	141.4 Å²	141.4	92%	0.915	76%	0.761	S	S	*	*			trans	-60.5	111.5	-163.3	-179.9	0	0	0	0	110.6
608	I	37	Very low	33.3	Very low	141 Å²	141	143.2 Å²	143.2	72%	0.723	76%	0.764	S	S	*	*			trans	-112	130.6	169.2	-59.8	175.6	0	0	0	107.5	S606 C610	S606-I608 PolarHBondContact O-N 3.3Å; I608-C610 PolarHBondContact O-N 3.47Å
609	P	31.5	Very low	33.2	Very low	106 Å²	106	137.6 Å²	137.6	69%	0.688	74%	0.736	S	S	*	*			trans	-59	136	177.9	-17.8	29	0	0	0	111.4	S611	P609-S611 PolarHBondContact O-N 2.96Å
610	C	25.5	Very low	33.6	Very low	143 Å²	143	131.4 Å²	131.4	97%	0.966	72%	0.717	S	S	*	*	S	Bend	trans	-58.6	89	174.5	-79.8	0	0	0	0	112.2	I608	I608-C610 PolarHBondContact O-N 3.47Å
611	S	30.1	Very low	34.6	Very low	75 Å²	75	128.5 Å²	128.5	52%	0.524	71%	0.711	S	S	.	*			trans	-153.8	148.2	146.7	60.8	0	0	0	0	107.3	P609	P609-S611 PolarHBondContact O-N 2.96Å
612	W	28.1	Very low	36	Very low	243 Å²	243	123.9 Å²	123.9	92%	0.92	68%	0.68	S	S	*	*			trans	83.2	61	179.5	-35.5	107.5	0	0	0	116.4
613	R	25.8	Very low	38.2	Very low	245 Å²	245	123.2 Å²	123.2	93%	0.925	66%	0.664	S	S	*	*			trans	-116.1	96	149.6	-171.8	-177.4	-93	-165.3	-4.8	108.4
614	T	29.3	Very low	40.4	Very low	132 Å²	132	114.3 Å²	114.3	81%	0.81	63%	0.625	S	S	*	*			trans	-170.1	82.6	150.6	13.6	0	0	0	0	108.6	V616	T614-V616 PolarHBondContact O-N 2.84Å
615	Q	29.7	Very low	42.4	Very low	201 Å²	201	110.9 Å²	110.9	94%	0.939	61%	0.608	S	S	*	*			trans	-61.2	122.2	162	-83.3	172.2	-40.4	0	0	108.4
616	V	30.9	Very low	44.8	Very low	107 Å²	107	102.1 Å²	102.1	65%	0.648	56%	0.562	S	S	*	*			trans	-106.7	103.5	163.1	-178.6	0	0	0	0	106.1	T614 K618	T614-V616 PolarHBondContact O-N 2.84Å; V616-K618 PolarHBondContact O-N 2.85Å; V616-K618 VanDerWaalsContact O-N 3.1Å
617	S	35.8	Very low	46.9	Very low	57 Å²	57	99.5 Å²	99.5	40%	0.399	54%	0.543	S	S	.	.			trans	-61.8	107	156.8	55.4	0	0	0	0	106.7	Q587 S619	Q587-S617 PolarHBondContact NE2-OG 2.99Å; Q587-S617 PolarHBondContact OE1-OG 2.87Å; S617-S619 PolarHBondContact O-N 2.72Å
618	K	35.7	Very low	49.3	Very low	141 Å²	141	92.6 Å²	92.6	61%	0.613	50%	0.501	S	S	*	.			trans	-77.4	89.6	156.7	-90.3	178.2	177.1	179.6	0	105.7	N419 T421 V616	N419-K618 VanDerWaalsContact CG-O 3.25Å; N419-K618 PolarHBondContact ND2-O 3.48Å; T421-K618 HydrophobicContact CG2-CB 3.35Å; T421-K618 HydrophobicContact CG2-CD 4.37Å; T421-K618 WeakPolarHBondContact CG2-O 3.22Å; V616-K618 PolarHBondContact O-N 2.85Å; V616-K618 VanDerWaalsContact O-N 3.1Å
619	S	48.2	Very low	51.3	Low	15 Å²	15	87.9 Å²	87.9	11%	0.105	48%	0.481	C	S	.	.			trans	-56.2	166.3	143.9	45.9	0	0	0	0	110.8	Q587 S617 G621	Q587-S619 WeakPolarHBondContact CB-OG 3.43Å; Q587-S619 WeakPolarHBondContact CG-OG 3.13Å; Q587-S619 VanDerWaalsContact OE1-CB 3.23Å; Q587-S619 PolarHBondContact OE1-OG 2.8Å; S617-S619 PolarHBondContact O-N 2.72Å; S619-G621 PolarHBondContact O-N 3.4Å
620	L	52.6	Low	53.5	Low	72 Å²	72	87.1 Å²	87.1	38%	0.377	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	106.1	151.9	-113.9	90.7	0	0	0	106.4	F514	F514-L620 HydrophobicContact CD2-CB 4.03Å; F514-L620 HydrophobicContact CD2-CD2 3.83Å; F514-L620 HydrophobicContact CE2-CB 3.95Å; F514-L620 WeakPolarHBondContact CE2-O 3.22Å
621	G	58.9	Low	55.2	Low	54 Å²	54	82.1 Å²	82.1	56%	0.557	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	127.1	171.7	0	0	0	0	0	108.1	V586 S619	V586-G621 CarbonylContact O-C 3.59Å; V586-G621 VanDerWaalsContact O-CA 3.25Å; V586-G621 WeakPolarHBondContact O-CA 3.41Å; S619-G621 PolarHBondContact O-N 3.4Å
622	L	67	Low	56.3	Low	13 Å²	13	84.1 Å²	84.1	7%	0.068	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129.9	169	173.6	84.9	0	0	0	108.4	F514 E517 Y519 I537 R585 V586 L624	F514-L622 HydrophobicContact CD2-CB 3.68Å; F514-L622 HydrophobicContact CE2-CB 3.43Å; F514-L622 VanDerWaalsContact CE2-CB 3.43Å; F514-L622 HydrophobicContact CG-CB 4.35Å; F514-L622 HydrophobicContact CZ-CB 3.97Å; E517-L622 WeakPolarHBondContact O-CD1 3.4Å; Y519-L622 HydrophobicContact CD2-CD1 3.97Å; Y519-L622 HydrophobicContact CD2-CD2 3.05Å; Y519-L622 HydrophobicContact CD2-CG 4.1Å; Y519-L622 HydrophobicContact CE2-CD1 4.45Å; Y519-L622 HydrophobicContact CE2-CD2 3.51Å; Y519-L622 HydrophobicContact CG-CD2 3.78Å; I537-L622 HydrophobicContact CG2-CD2 4.22Å; R585-L622 WeakPolarHBondContact CA-O 3.37Å; V586-L622 HydrophobicContact CG2-CB 3.81Å; V586-L622 HydrophobicContact CG2-CD2 4.01Å; V586-L622 HydrophobicContact CG2-CG 4.4Å; V586-L622 WeakPolarHBondContact CG2-O 3.2Å; V586-L622 PolarHBondContact N-O 3.05Å; V586-L622 PolarHBondContact O-N 2.9Å; L622-L624 HydrophobicContact CD2-CD1 3.97Å
623	E	76.1	Confident	56.9	Low	103 Å²	103	82 Å²	82	48%	0.481	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.1	168.1	-77.9	-176.7	175.9	0	0	109.8	V583 L584 R585	V583-E623 HydrophobicContact CG1-CB 4.12Å; V583-E623 HydrophobicContact CG1-CG 4.21Å; L584-E623 CarbonylContact O-C 3.51Å; L584-E623 WeakPolarHBondContact O-CA 3.38Å; R585-E623 HydrophobicContact CG-CG 3.67Å; R585-E623 IonicContact CZ-OE1 3.13Å; R585-E623 IonicContact NE-OE1 2.69Å; R585-E623 PolarHBondContact NE-OE1 3.17Å; R585-E623 IonicContact NH2-OE1 2.68Å; R585-E623 PolarHBondContact NH2-OE1 2.95Å
624	L	77.7	Confident	57.5	Low	5 Å²	5	75.5 Å²	75.5	3%	0.026	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	114.8	-172.3	-159.7	160.4	0	0	0	108.9	Y519 P521 I537 I568 L584 L622 V626	Y519-L624 HydrophobicContact CG-CD1 4Å; Y519-L624 WeakPolarHBondContact O-CG 3.24Å; P521-L624 HydrophobicContact CB-CD2 4.46Å; P521-L624 HydrophobicContact CG-CD2 3.42Å; P521-L624 VanDerWaalsContact CG-CD2 3.42Å; I537-L624 HydrophobicContact CG2-CD1 3.39Å; I568-L624 HydrophobicContact CD1-CD1 4.03Å; L584-L624 PolarHBondContact N-O 3.18Å; L584-L624 PolarHBondContact O-N 3.43Å; L622-L624 HydrophobicContact CD2-CD1 3.97Å; L624-V626 HydrophobicContact CD2-CG2 4.1Å
625	G	76.7	Confident	57.9	Low	41 Å²	41	72.3 Å²	72.3	42%	0.423	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	116	-178.7	0	0	0	0	0	111.8	P521 Y582 P627	P521-G625 WeakPolarHBondContact CD-O 3.37Å; P521-G625 WeakPolarHBondContact CG-O 3.26Å; Y582-G625 CarbonylContact O-C 3.53Å; Y582-G625 WeakPolarHBondContact O-CA 3.32Å; G625-P627 WeakPolarHBondContact O-CD 3.46Å
626	V	77.7	Confident	57.9	Low	0 Å²	0	69.3 Å²	69.3	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	105.4	175.7	-175.7	0	0	0	0	109.1	P521 V524 V534 F559 S581 Y582 L584 L624	P521-V626 HydrophobicContact CG-CG2 4.13Å; V524-V626 HydrophobicContact CG2-CG1 3.8Å; V534-V626 HydrophobicContact CG1-CB 4.26Å; V534-V626 HydrophobicContact CG1-CG1 3.49Å; V534-V626 VanDerWaalsContact CG1-CG1 3.49Å; V534-V626 HydrophobicContact CG1-CG2 3.75Å; F559-V626 HydrophobicContact CE1-CG1 3.8Å; F559-V626 HydrophobicContact CZ-CB 4.24Å; F559-V626 HydrophobicContact CZ-CG1 3.8Å; S581-V626 CarbonylContact C-O 3.52Å; S581-V626 VanDerWaalsContact CA-O 3.27Å; S581-V626 WeakPolarHBondContact CA-O 3.35Å; Y582-V626 PolarHBondContact N-O 2.87Å; Y582-V626 PolarHBondContact O-N 3.23Å; L584-V626 HydrophobicContact CD1-CG2 3.89Å; L584-V626 HydrophobicContact CG-CG2 4.28Å; L624-V626 HydrophobicContact CD2-CG2 4.1Å
627	P	79.5	Confident	58.2	Low	44 Å²	44	75.3 Å²	75.3	29%	0.286	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	138.1	175.5	10.4	1.4	0	0	0	110.4	P523 V524 G625	P523-P627 CarbonylContact C-O 3.54Å; P523-P627 VanDerWaalsContact CA-O 3.31Å; P523-P627 WeakPolarHBondContact CA-O 3.23Å; P523-P627 HydrophobicContact CB-CB 4.11Å; P523-P627 HydrophobicContact CB-CG 4.19Å; P523-P627 HydrophobicContact CG-CB 4.23Å; P523-P627 HydrophobicContact CG-CG 4.01Å; V524-P627 PolarHBondContact N-O 3.5Å; G625-P627 WeakPolarHBondContact O-CD 3.46Å
628	V	81.2	Confident	58.1	Low	7 Å²	7	79 Å²	79	4%	0.042	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	136.2	169.5	-173.4	0	0	0	0	108.1	V524 E526 L574 Y576 R579 T580 Y582	V524-V628 CarbonylContact O-C 3.36Å; V524-V628 VanDerWaalsContact O-CA 3.29Å; V524-V628 WeakPolarHBondContact O-CA 3.39Å; E526-V628 HydrophobicContact CB-CG1 4.11Å; L574-V628 HydrophobicContact CB-CG1 4.36Å; Y576-V628 HydrophobicContact CD2-CB 4.24Å; Y576-V628 HydrophobicContact CD2-CG1 4.14Å; Y576-V628 VanDerWaalsContact CD2-O 3.24Å; Y576-V628 WeakPolarHBondContact CD2-O 3.4Å; Y576-V628 WeakPolarHBondContact CE2-O 3.28Å; R579-V628 WeakPolarHBondContact O-CG2 3.42Å; T580-V628 PolarHBondContact O-N 2.81Å; Y582-V628 HydrophobicContact CD2-CG2 3.93Å; Y582-V628 HydrophobicContact CE2-CG2 3.77Å
629	S	80.6	Confident	58.2	Low	42 Å²	42	75.7 Å²	75.7	29%	0.294	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.9	176.9	64.8	0	0	0	0	111.9	V524 S525 E526	V524-S629 PolarHBondContact O-N 3.07Å; S525-S629 WeakPolarHBondContact CA-OG 3.42Å; E526-S629 PolarHBondContact N-O 2.73Å
630	H	76.2	Confident	57.6	Low	89 Å²	89	80.4 Å²	80.4	41%	0.412	49%	0.494	S	S	.	.			trans	-66.8	137.4	174	-171.7	-92.5	0	0	0	111.7	E526 Y576 E577	E526-H630 WeakPolarHBondContact OE1-CA 3.31Å; E526-H630 IonicContact OE1-CD2 2.77Å; E526-H630 IonicContact OE1-CG 3.33Å; Y576-H630 HydrophobicContact CD1-CB 3.6Å; Y576-H630 AromaticContact CD1-CD2 3.61Å; Y576-H630 AromaticContact CD1-CG 3.96Å; Y576-H630 HydrophobicContact CD2-CB 4.03Å; Y576-H630 VanDerWaalsContact CD2-N 3.33Å; Y576-H630 HydrophobicContact CE1-CB 3.72Å; Y576-H630 HydrophobicContact CE2-CB 4.14Å; Y576-H630 HydrophobicContact CG-CB 3.75Å; E577-H630 IonicContact OE1-CD2 3.92Å; E577-H630 PolarHBondContact OE1-CD2 3.33Å; E577-H630 IonicContact OE1-NE2 2.74Å; E577-H630 PolarHBondContact OE1-NE2 3.45Å
631	S	61.5	Low	56.9	Low	39 Å²	39	81.9 Å²	81.9	27%	0.273	51%	0.511	S	S	.	.			trans	-95.5	108.8	177.7	55.2	0	0	0	0	110.6	E526 L527	E526-S631 PolarHBondContact OE1-N 2.93Å; E526-S631 PolarHBondContact OE1-OG 2.84Å; L527-S631 VanDerWaalsContact CD1-CB 3.46Å; L527-S631 VanDerWaalsContact CD1-OG 3.27Å; L527-S631 WeakPolarHBondContact CD1-OG 3.04Å; L527-S631 WeakPolarHBondContact CG-OG 3.4Å
632	V	54	Low	55.9	Low	116 Å²	116	84.5 Å²	84.5	70%	0.703	52%	0.516	S	S	*	.			trans	-90.1	106.5	175.6	-175.8	0	0	0	0	109.2	S634	V632-S634 PolarHBondContact O-N 3.49Å
633	E	40.8	Very low	54.6	Low	200 Å²	200	95.1 Å²	95.1	94%	0.935	56%	0.555	S	S	*	*			trans	-65	94.8	165.1	-86.3	-170.5	151.4	0	0	109.8	G635	E633-G635 PolarHBondContact O-N 3.28Å
634	S	36.6	Very low	53	Low	107 Å²	107	94.5 Å²	94.5	75%	0.748	57%	0.567	S	S	*	*			trans	-94.8	95	171.6	66	0	0	0	0	111	V632	V632-S634 PolarHBondContact O-N 3.49Å
635	G	38.2	Very low	51.3	Low	65 Å²	65	99.1 Å²	99.1	67%	0.67	61%	0.607	S	S	*	*			trans	-67.3	131.4	159.5	0	0	0	0	0	112	E633	E633-G635 PolarHBondContact O-N 3.28Å
636	T	31.3	Very low	49.6	Very low	138 Å²	138	102.3 Å²	102.3	85%	0.847	62%	0.622	S	S	*	*			trans	20.2	109.1	149.1	44.9	0	0	0	0	120.2
637	R	36.2	Very low	48.2	Very low	234 Å²	234	109.1 Å²	109.1	88%	0.883	66%	0.664	S	S	*	*				167.8	119.7	120.7	-99.6	174.4	166.9	169.4	-3.3	114
638	T	34.3	Very low	46.5	Very low	135 Å²	135	111.9 Å²	111.9	83%	0.828	68%	0.682	S	S	*	*			trans	22.6	127	139	56.6	0	0	0	0	120.7
639	G	36.4	Very low	45	Very low	71 Å²	71	118.8 Å²	118.8	73%	0.732	72%	0.717	S	S	*	*			trans	144.6	82.5	147	0	0	0	0	0	118.2
640	S	36.6	Very low	43.3	Very low	113 Å²	113	129 Å²	129	79%	0.79	76%	0.759	S	S	*	*			trans	32	128.3	138.4	68	0	0	0	0	123
641	S	37.3	Very low	41.7	Very low	104 Å²	104	131 Å²	131	73%	0.727	78%	0.777	S	S	*	*				72.5	136.6	127.1	-151.5	0	0	0	0	116.8
642	T	39.1	Very low	40.7	Very low	109 Å²	109	135.8 Å²	135.8	67%	0.669	80%	0.803	S	S	*	*			cis	-179	150.9	17.8	-3.3	0	0	0	0	107.3
643	R	39.3	Very low	39.9	Very low	236 Å²	236	136.9 Å²	136.9	89%	0.891	81%	0.809	S	S	*	*			trans	57.1	153.4	144.2	-79.9	176.2	169.2	-168.5	-3.2	118.5
644	A	41.2	Very low	39.9	Very low	89 Å²	89	133.2 Å²	133.2	74%	0.736	80%	0.801	S	S	*	*			cis	173.8	143.2	-14.5	0	0	0	0	0	103.3
645	A	42.6	Very low	40.1	Very low	103 Å²	103	134.9 Å²	134.9	85%	0.851	80%	0.804	S	S	*	*			trans	169.3	116.5	138.7	0	0	0	0	0	110.1
646	S	41.2	Very low	40.2	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	81%	0.813	S	S	*	*			trans	-70.4	148.7	160.3	45.2	0	0	0	0	112.2
647	V	47.7	Very low	40.8	Very low	144 Å²	144	139.6 Å²	139.6	87%	0.873	81%	0.811	S	S	*	*			trans	-152.7	133.9	135.7	-176.1	0	0	0	0	109.2
648	P	45	Very low	41.2	Very low	102 Å²	102	132.4 Å²	132.4	66%	0.662	81%	0.806	S	S	*	*			trans	-113.3	175.8	169.4	37.1	-24	0	0	0	114
649	I	48.1	Very low	41.8	Very low	152 Å²	152	132.2 Å²	132.2	78%	0.779	80%	0.804	S	S	*	*			trans	90.8	104.5	161.2	-47	170.3	0	0	0	117.1
650	H	46.8	Very low	42.3	Very low	256 Å²	256	137.7 Å²	137.7	100%	1.185	81%	0.81	S	S	*	*				-148.8	0	109	-125	-43.3	0	0	0	111.4

Retrieved 650 of 650 residues in 388.8 ms (Link to these results)

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