A0A5K4FBX0_SCHMA Loading...

Zonadhesin

AlphaFold DB , UniProt , Accession A0A5K4FBX0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 479 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	36.3	Very low	240 Å²	240	157.3 Å²	157.3	100%	1.182	73%	0.726	S	S	*	*				0	123.2	0	-121.9	164.5	169.3	0	0	106.5	F3	M1-F3 PolarHBondContact O-N 3.15Å
2	K	33.4	Very low	36.7	Very low	208 Å²	208	156.3 Å²	156.3	90%	0.904	72%	0.719	S	S	*	*			trans	-41.2	112.9	-161.9	-63.1	167.6	176.4	179.7	0	115.5
3	F	30.1	Very low	37.1	Very low	190 Å²	190	149 Å²	149	83%	0.833	70%	0.696	S	S	*	*			trans	-149.6	138.5	166.8	-98	-83	0	0	0	110.2	M1	M1-F3 PolarHBondContact O-N 3.15Å
4	W	31.4	Very low	38.1	Very low	230 Å²	230	148.2 Å²	148.2	87%	0.871	70%	0.697	S	S	*	*			trans	90	90.8	165.8	-75.6	43.1	0	0	0	118.9
5	Y	33.1	Very low	39.1	Very low	233 Å²	233	148.8 Å²	148.8	91%	0.914	70%	0.697	S	S	*	*			trans	-134.7	81.6	149.9	-128.8	-91.2	0	0	0	106.7
6	F	34.7	Very low	40.6	Very low	190 Å²	190	141.2 Å²	141.2	83%	0.833	66%	0.662	S	S	*	*			trans	-126.9	93	164.3	-106.7	-84.8	0	0	0	105	F8	F6-F8 PolarHBondContact O-N 2.95Å
7	C	36.7	Very low	42.1	Very low	91 Å²	91	140.3 Å²	140.3	62%	0.615	66%	0.658	S	S	*	*			trans	-86.6	91.5	175	-136.9	0	0	0	0	106.9	N26	C7-N26 PolarHBondContact O-ND2 2.7Å
8	F	37.3	Very low	43.6	Very low	170 Å²	170	133.5 Å²	133.5	75%	0.746	63%	0.627	S	S	*	*			trans	-83.1	111.5	164.6	-127.7	-87.9	0	0	0	105.8	F6 A10	F6-F8 PolarHBondContact O-N 2.95Å; F8-A10 HydrophobicContact CD1-CB 3.66Å; F8-A10 HydrophobicContact CE1-CB 4.2Å; F8-A10 PolarHBondContact O-N 2.98Å
9	L	44	Very low	44.8	Very low	92 Å²	92	128.9 Å²	128.9	48%	0.482	61%	0.609	S	S	.	*			trans	-90.1	46.7	170.6	-120.9	131.4	0	0	0	109.1	V11	L9-V11 HydrophobicContact CD2-CG2 4.01Å; L9-V11 PolarHBondContact O-N 3.35Å
10	A	38.8	Very low	45.8	Very low	38 Å²	38	123.3 Å²	123.3	31%	0.314	59%	0.585	S	S	.	*	B	Isolated β-bridge	trans	-82	95.5	162.1	0	0	0	0	0	106.3	F8 F12	F8-A10 HydrophobicContact CD1-CB 3.66Å; F8-A10 HydrophobicContact CE1-CB 4.2Å; F8-A10 PolarHBondContact O-N 2.98Å; A10-F12 HydrophobicContact CB-CD2 4.14Å; A10-F12 PolarHBondContact O-N 2.9Å
11	V	45.4	Very low	46.5	Very low	48 Å²	48	125.2 Å²	125.2	29%	0.291	59%	0.587	S	S	.	*			trans	-79	74.3	175.8	-173.8	0	0	0	0	107.9	L9 S13	L9-V11 HydrophobicContact CD2-CG2 4.01Å; L9-V11 PolarHBondContact O-N 3.35Å; V11-S13 PolarHBondContact O-N 3.03Å
12	F	41.2	Very low	47.3	Very low	146 Å²	146	118.3 Å²	118.3	64%	0.64	56%	0.559	S	S	*	*			trans	-71.4	105.6	162	-91.1	-94	0	0	0	107.9	A10 Y33	A10-F12 HydrophobicContact CB-CD2 4.14Å; A10-F12 PolarHBondContact O-N 2.9Å; F12-Y33 HydrophobicContact CE1-CE2 4.19Å
13	S	41.3	Very low	48.3	Very low	61 Å²	61	113.4 Å²	113.4	43%	0.427	55%	0.548	S	S	.	.	S	Bend	trans	75.7	122.5	165.4	-73.4	0	0	0	0	118.5	V11	V11-S13 PolarHBondContact O-N 3.03Å
14	I	50.9	Low	49.5	Very low	138 Å²	138	105.4 Å²	105.4	71%	0.708	52%	0.516	S	S	*	.	S	Bend	trans	121.7	-24.8	149.4	-58.7	155.9	0	0	0	116.6
15	F	53.2	Low	50.8	Low	157 Å²	157	99.8 Å²	99.8	69%	0.689	51%	0.507	S	S	*	.			trans	-112	125.3	178.9	-71.4	-82.7	0	0	0	112.1	E17	F15-E17 VanDerWaalsContact C-N 3.32Å
16	N	62.8	Low	52.1	Low	27 Å²	27	91.3 Å²	91.3	14%	0.144	48%	0.478	C	S	.	.	S	Bend	trans	-87.5	2.1	-179.2	-58.3	-54.5	0	0	0	113.3	S36 N38 P39 I40 E41	N16-S36 VanDerWaalsContact CG-CB 3.5Å; N16-S36 VanDerWaalsContact ND2-CB 3.29Å; N16-S36 WeakPolarHBondContact ND2-CB 3.32Å; N16-S36 PolarHBondContact ND2-OG 2.65Å; N16-S36 VanDerWaalsContact ND2-OG 3.1Å; N16-S36 WeakPolarHBondContact OD1-CB 3.39Å; N16-S36 PolarHBondContact OD1-OG 3.03Å; N16-N38 HydrophobicContact CB-CB 3.94Å; N16-N38 WeakPolarHBondContact ND2-CB 3.3Å; N16-P39 WeakPolarHBondContact CB-O 3.07Å; N16-I40 VanDerWaalsContact O-CA 3.28Å; N16-I40 WeakPolarHBondContact O-CA 3.48Å; N16-E41 PolarHBondContact O-N 2.67Å
17	E	66.6	Low	53.4	Low	126 Å²	126	84 Å²	84	59%	0.589	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.8	-177.5	-170.8	-177.2	164.5	0	0	108.1	F15 E41	F15-E17 VanDerWaalsContact C-N 3.32Å; E17-E41 HydrophobicContact CG-CB 4.28Å
18	V	69.7	Low	54.9	Low	18 Å²	18	80.3 Å²	80.3	11%	0.109	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	100.3	176	-179.5	0	0	0	0	108.6	I28 V30 E41 V42 T43	V18-I28 HydrophobicContact CG1-CG2 4.06Å; V18-V30 HydrophobicContact CB-CG2 4.02Å; V18-V30 HydrophobicContact CG1-CG2 4.45Å; V18-V30 HydrophobicContact CG2-CG2 3.63Å; V18-E41 PolarHBondContact N-O 2.85Å; V18-V42 WeakPolarHBondContact O-CA 3.29Å; V18-T43 PolarHBondContact O-N 2.88Å
19	T	66.7	Low	56.4	Low	46 Å²	46	75.7 Å²	75.7	28%	0.282	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	119	172	-36.7	0	0	0	0	110.2	Y21 T43 Y45	T19-Y21 HydrophobicContact CG2-CD2 3.99Å; T19-Y21 HydrophobicContact CG2-CE1 4.04Å; T19-Y21 HydrophobicContact CG2-CE2 3.3Å; T19-Y21 WeakPolarHBondContact CG2-OH 3.39Å; T19-T43 WeakPolarHBondContact CA-O 3.41Å; T19-Y45 HydrophobicContact CG2-CD2 3.93Å; T19-Y45 HydrophobicContact CG2-CE2 3.71Å
20	S	64.1	Low	57.7	Low	17 Å²	17	71.8 Å²	71.8	12%	0.119	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114.4	174.2	177.2	0	0	0	0	111.1	T22 T43 Y45 T46	S20-T22 PolarHBondContact OG-O 3.29Å; S20-T22 VanDerWaalsContact OG-O 3.11Å; S20-T43 PolarHBondContact N-O 3.49Å; S20-Y45 PolarHBondContact O-N 2.92Å; S20-Y45 VanDerWaalsContact O-N 3.1Å; S20-T46 PolarHBondContact OG-OG1 3.45Å
21	Y	60.7	Low	59.1	Low	163 Å²	163	71.6 Å²	71.6	64%	0.639	38%	0.379	S	S	*	.			trans	-105.1	0.1	173.7	-64.6	-75.3	0	0	0	113.6	T19 Y45 T46	T19-Y21 HydrophobicContact CG2-CD2 3.99Å; T19-Y21 HydrophobicContact CG2-CE1 4.04Å; T19-Y21 HydrophobicContact CG2-CE2 3.3Å; T19-Y21 WeakPolarHBondContact CG2-OH 3.39Å; Y21-Y45 AromaticContact CD1-CD2 3.81Å; Y21-Y45 HydrophobicContact CD1-CD2 3.81Å; Y21-Y45 HydrophobicContact CD1-CE2 4.48Å; Y21-Y45 HydrophobicContact CD1-CG 4.36Å; Y21-Y45 AromaticContact CE1-CD2 3.49Å; Y21-Y45 HydrophobicContact CE1-CD2 3.49Å; Y21-Y45 VanDerWaalsContact CE1-CD2 3.49Å; Y21-Y45 AromaticContact CE1-CE2 3.71Å; Y21-Y45 HydrophobicContact CE1-CE2 3.71Å; Y21-Y45 HydrophobicContact CE1-CG 4.28Å; Y21-T46 VanDerWaalsContact O-CG2 3.29Å; Y21-T46 WeakPolarHBondContact O-CG2 3.36Å
22	T	52.3	Low	60.1	Low	96 Å²	96	69.8 Å²	69.8	59%	0.589	37%	0.369	S	S	*	.	S	Bend	trans	-123.7	143	-178.5	55.5	0	0	0	0	110.6	S20 S24 T46	S20-T22 PolarHBondContact OG-O 3.29Å; S20-T22 VanDerWaalsContact OG-O 3.11Å; T22-S24 PolarHBondContact O-N 2.67Å; T22-S24 VanDerWaalsContact O-N 3.09Å; T22-T46 VanDerWaalsContact C-OG1 3.22Å; T22-T46 PolarHBondContact O-OG1 2.93Å
23	P	52.8	Low	61.2	Low	104 Å²	104	68.5 Å²	68.5	68%	0.675	36%	0.36	S	S	*	.			trans	-57.6	118.3	172.9	-19	30.5	0	0	0	109.5
24	S	56.4	Low	62	Low	23 Å²	23	68.9 Å²	68.9	16%	0.161	36%	0.36	C	S	.	.			trans	-106.5	128.7	177.7	172.9	0	0	0	0	109.5	T22 N26	T22-S24 PolarHBondContact O-N 2.67Å; T22-S24 VanDerWaalsContact O-N 3.09Å; S24-N26 PolarHBondContact OG-N 2.92Å; S24-N26 PolarHBondContact OG-O 2.94Å
25	T	58.7	Low	62.2	Low	111 Å²	111	67.2 Å²	67.2	68%	0.681	36%	0.358	S	S	*	.	S	Bend	trans	-85.2	8.8	168.4	59.8	0	0	0	0	112.5	N50	T25-N50 PolarHBondContact O-ND2 3.14Å
26	N	59.4	Low	62.4	Low	56 Å²	56	60.4 Å²	60.4	30%	0.299	33%	0.33	S	S	.	.	S	Bend	trans	-113.5	150.3	175.5	-60.4	-32.5	0	0	0	110.6	C7 S24 N50	C7-N26 PolarHBondContact O-ND2 2.7Å; S24-N26 PolarHBondContact OG-N 2.92Å; S24-N26 PolarHBondContact OG-O 2.94Å; N26-N50 VanDerWaalsContact C-ND2 3.32Å; N26-N50 WeakPolarHBondContact CA-ND2 3.16Å; N26-N50 PolarHBondContact N-ND2 3.47Å; N26-N50 VanDerWaalsContact N-ND2 3.18Å
27	P	63	Low	62.4	Low	36 Å²	36	64.3 Å²	64.3	23%	0.234	36%	0.355	C	S	.	.			trans	-57.1	148.6	172.1	24.8	-33.4	0	0	0	111.5	E29 N50 P51	P27-E29 HydrophobicContact CB-CG 4.21Å; P27-E29 HydrophobicContact CG-CG 4.44Å; P27-E29 WeakPolarHBondContact CG-OE1 3.01Å; P27-E29 PolarHBondContact O-N 3.39Å; P27-N50 HydrophobicContact CB-CB 3.87Å; P27-N50 VanDerWaalsContact N-CB 3.28Å; P27-P51 HydrophobicContact CB-CG 4.18Å
28	I	68.5	Low	62.2	Low	14 Å²	14	62.4 Å²	62.4	7%	0.072	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	93.2	169.2	-59.3	177.3	0	0	0	105.3	V18 V30 V42 P51 I52 E53	V18-I28 HydrophobicContact CG1-CG2 4.06Å; I28-V30 HydrophobicContact CG2-CG2 4.22Å; I28-V42 HydrophobicContact CG2-CG1 3.78Å; I28-P51 PolarHBondContact N-O 3.19Å; I28-P51 VanDerWaalsContact N-O 3.08Å; I28-I52 HydrophobicContact CB-CG1 4.38Å; I28-I52 HydrophobicContact CD1-CG1 4.44Å; I28-I52 WeakPolarHBondContact O-CA 3.1Å; I28-E53 PolarHBondContact O-N 3Å
29	E	68	Low	62	Low	72 Å²	72	63.1 Å²	63.1	34%	0.336	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	115	174.2	-73.4	170.4	-149	0	0	108.6	P27 E53	P27-E29 HydrophobicContact CB-CG 4.21Å; P27-E29 HydrophobicContact CG-CG 4.44Å; P27-E29 WeakPolarHBondContact CG-OE1 3.01Å; P27-E29 PolarHBondContact O-N 3.39Å; E29-E53 WeakPolarHBondContact CA-O 3.4Å; E29-E53 HydrophobicContact CG-CB 4.28Å
30	V	70.4	Confident	62.2	Low	11 Å²	11	61 Å²	61	7%	0.067	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	102.4	170.8	-176.1	0	0	0	0	107.7	V18 I28 I40 V42 E53 V54 T55	V18-V30 HydrophobicContact CB-CG2 4.02Å; V18-V30 HydrophobicContact CG1-CG2 4.45Å; V18-V30 HydrophobicContact CG2-CG2 3.63Å; I28-V30 HydrophobicContact CG2-CG2 4.22Å; V30-I40 HydrophobicContact CG1-CG2 3.95Å; V30-V42 HydrophobicContact CB-CG2 4.09Å; V30-V42 HydrophobicContact CG1-CG2 4.43Å; V30-V42 HydrophobicContact CG2-CG2 3.6Å; V30-E53 PolarHBondContact N-O 3.25Å; V30-V54 HydrophobicContact CB-CG2 4.49Å; V30-V54 WeakPolarHBondContact O-CA 3.2Å; V30-T55 PolarHBondContact O-N 2.95Å
31	T	69.3	Low	62.6	Low	34 Å²	34	63 Å²	63	21%	0.209	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117	173.7	-41.9	0	0	0	0	110.5	Y33 T55 Y57	T31-Y33 HydrophobicContact CG2-CD2 3.83Å; T31-Y33 HydrophobicContact CG2-CE1 4.11Å; T31-Y33 HydrophobicContact CG2-CE2 3.18Å; T31-T55 WeakPolarHBondContact CA-O 3.39Å; T31-Y57 HydrophobicContact CG2-CD2 3.69Å; T31-Y57 HydrophobicContact CG2-CE2 3.59Å
32	S	65.9	Low	63.2	Low	10 Å²	10	55.2 Å²	55.2	7%	0.07	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.4	174	82.3	0	0	0	0	110.3	T55 S56 Y57	S32-T55 PolarHBondContact N-O 3.38Å; S32-S56 WeakPolarHBondContact OG-CA 3.26Å; S32-S56 PolarHBondContact OG-OG 3.43Å; S32-Y57 PolarHBondContact O-N 2.89Å
33	Y	64.9	Low	64.2	Low	118 Å²	118	51.6 Å²	51.6	46%	0.463	30%	0.296	S	S	.	.			trans	-110.2	-0.5	174.5	-66.8	-79.7	0	0	0	112.6	F12 T31 Y57 T58	F12-Y33 HydrophobicContact CE1-CE2 4.19Å; T31-Y33 HydrophobicContact CG2-CD2 3.83Å; T31-Y33 HydrophobicContact CG2-CE1 4.11Å; T31-Y33 HydrophobicContact CG2-CE2 3.18Å; Y33-Y57 AromaticContact CD1-CD2 3.87Å; Y33-Y57 HydrophobicContact CD1-CD2 3.87Å; Y33-Y57 HydrophobicContact CD1-CG 4.28Å; Y33-Y57 AromaticContact CE1-CD2 3.5Å; Y33-Y57 HydrophobicContact CE1-CD2 3.5Å; Y33-Y57 AromaticContact CE1-CE2 3.79Å; Y33-Y57 HydrophobicContact CE1-CE2 3.79Å; Y33-Y57 HydrophobicContact CE1-CG 4.16Å; Y33-T58 VanDerWaalsContact O-CG2 3.22Å; Y33-T58 WeakPolarHBondContact O-CG2 3.45Å
34	T	58	Low	64.9	Low	70 Å²	70	46.7 Å²	46.7	43%	0.429	26%	0.264	S	S	.	.	S	Bend	trans	-125.2	132.5	-176.4	54.2	0	0	0	0	109.7	S36 T58	T34-S36 PolarHBondContact O-N 3.1Å; T34-S36 VanDerWaalsContact O-N 3.17Å; T34-T58 PolarHBondContact O-OG1 2.65Å; T34-T58 VanDerWaalsContact O-OG1 3.09Å
35	P	55.2	Low	65.3	Low	103 Å²	103	50.4 Å²	50.4	67%	0.669	28%	0.275	S	S	*	.			trans	-53.6	125.3	173.7	-20.6	30.8	0	0	0	109.4	T58	P35-T58 HydrophobicContact CG-CG2 4.4Å
36	S	57.6	Low	65.4	Low	13 Å²	13	45.8 Å²	45.8	9%	0.091	25%	0.246	C	C	.	.			trans	-124.2	137.5	-174.4	106.8	0	0	0	0	109.5	N16 T34 N38	N16-S36 VanDerWaalsContact CG-CB 3.5Å; N16-S36 VanDerWaalsContact ND2-CB 3.29Å; N16-S36 WeakPolarHBondContact ND2-CB 3.32Å; N16-S36 PolarHBondContact ND2-OG 2.65Å; N16-S36 VanDerWaalsContact ND2-OG 3.1Å; N16-S36 WeakPolarHBondContact OD1-CB 3.39Å; N16-S36 PolarHBondContact OD1-OG 3.03Å; T34-S36 PolarHBondContact O-N 3.1Å; T34-S36 VanDerWaalsContact O-N 3.17Å; S36-N38 VanDerWaalsContact C-N 3.3Å; S36-N38 PolarHBondContact OG-O 3.32Å
37	T	62.4	Low	65.1	Low	110 Å²	110	46.6 Å²	46.6	68%	0.675	26%	0.255	S	S	*	.	S	Bend	trans	-90.2	7.8	177.9	57.3	0	0	0	0	112.6	N62	T37-N62 WeakPolarHBondContact CA-ND2 3.16Å; T37-N62 PolarHBondContact O-ND2 2.87Å
38	N	61.4	Low	64.8	Low	86 Å²	86	45.1 Å²	45.1	46%	0.46	25%	0.245	S	C	.	.	S	Bend	trans	-118.3	152.3	177.5	-47.4	-20.7	0	0	0	109.3	N16 S36 N62	N16-N38 HydrophobicContact CB-CB 3.94Å; N16-N38 WeakPolarHBondContact ND2-CB 3.3Å; S36-N38 VanDerWaalsContact C-N 3.3Å; S36-N38 PolarHBondContact OG-O 3.32Å; N38-N62 PolarHBondContact N-ND2 2.86Å
39	P	66.3	Low	64.4	Low	32 Å²	32	48.4 Å²	48.4	21%	0.208	27%	0.266	C	S	.	.			trans	-58.2	149.6	174.7	26.5	-36.2	0	0	0	111.1	N16 E41 N62 P63	N16-P39 WeakPolarHBondContact CB-O 3.07Å; P39-E41 HydrophobicContact CB-CG 4.08Å; P39-E41 HydrophobicContact CG-CG 4.12Å; P39-E41 WeakPolarHBondContact CG-OE1 3.44Å; P39-E41 PolarHBondContact O-N 2.75Å; P39-N62 HydrophobicContact CB-CB 3.97Å; P39-N62 VanDerWaalsContact N-CB 3.29Å; P39-P63 WeakPolarHBondContact CA-O 3.42Å; P39-P63 HydrophobicContact CB-CG 3.99Å; P39-P63 WeakPolarHBondContact CB-O 3.48Å
40	I	71.4	Confident	64.2	Low	1 Å²	1	46.6 Å²	46.6	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	100	167.8	-61.3	176.2	0	0	0	106.1	N16 V30 V42 V54 P63 I64 E65	N16-I40 VanDerWaalsContact O-CA 3.28Å; N16-I40 WeakPolarHBondContact O-CA 3.48Å; V30-I40 HydrophobicContact CG1-CG2 3.95Å; I40-V42 HydrophobicContact CG2-CG2 4.24Å; I40-V54 HydrophobicContact CG2-CG1 3.79Å; I40-P63 PolarHBondContact N-O 2.97Å; I40-I64 HydrophobicContact CB-CG1 4.33Å; I40-I64 HydrophobicContact CD1-CG1 4.4Å; I40-I64 WeakPolarHBondContact O-CA 3.37Å; I40-E65 PolarHBondContact O-N 3.19Å
41	E	71.2	Confident	64	Low	59 Å²	59	47.1 Å²	47.1	28%	0.276	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.7	178.2	-71.1	177.3	-151.5	0	0	109	N16 E17 V18 P39 E65	N16-E41 PolarHBondContact O-N 2.67Å; E17-E41 HydrophobicContact CG-CB 4.28Å; V18-E41 PolarHBondContact N-O 2.85Å; P39-E41 HydrophobicContact CB-CG 4.08Å; P39-E41 HydrophobicContact CG-CG 4.12Å; P39-E41 WeakPolarHBondContact CG-OE1 3.44Å; P39-E41 PolarHBondContact O-N 2.75Å; E41-E65 WeakPolarHBondContact CA-O 3.44Å; E41-E65 HydrophobicContact CG-CB 4.36Å
42	V	73.7	Confident	64.1	Low	1 Å²	1	45.6 Å²	45.6	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	105.6	173.2	-175.1	0	0	0	0	108.2	V18 I28 V30 I40 I52 V54 E65 V66 T67	V18-V42 WeakPolarHBondContact O-CA 3.29Å; I28-V42 HydrophobicContact CG2-CG1 3.78Å; V30-V42 HydrophobicContact CB-CG2 4.09Å; V30-V42 HydrophobicContact CG1-CG2 4.43Å; V30-V42 HydrophobicContact CG2-CG2 3.6Å; I40-V42 HydrophobicContact CG2-CG2 4.24Å; V42-I52 HydrophobicContact CG1-CG2 3.95Å; V42-V54 HydrophobicContact CB-CG2 4.18Å; V42-V54 HydrophobicContact CG2-CG2 3.66Å; V42-E65 PolarHBondContact N-O 3.37Å; V42-V66 HydrophobicContact CB-CG2 4.45Å; V42-V66 WeakPolarHBondContact O-CA 3.25Å; V42-T67 PolarHBondContact O-N 3.28Å
43	T	73.3	Confident	64.4	Low	20 Å²	20	48 Å²	48	12%	0.123	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.5	177.5	-45.2	0	0	0	0	110.6	V18 T19 S20 Y45 T67 Y69	V18-T43 PolarHBondContact O-N 2.88Å; T19-T43 WeakPolarHBondContact CA-O 3.41Å; S20-T43 PolarHBondContact N-O 3.49Å; T43-Y45 HydrophobicContact CG2-CD2 3.91Å; T43-Y45 HydrophobicContact CG2-CE1 4.14Å; T43-Y45 HydrophobicContact CG2-CE2 3.3Å; T43-Y45 VanDerWaalsContact CG2-CZ 3.43Å; T43-T67 WeakPolarHBondContact CA-O 3.07Å; T43-Y69 HydrophobicContact CG2-CD2 3.89Å; T43-Y69 HydrophobicContact CG2-CE2 3.71Å
44	S	68	Low	64.8	Low	1 Å²	1	42.4 Å²	42.4	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.5	173	-172.8	0	0	0	0	110.9	T46 T67 Y69	S44-T46 PolarHBondContact OG-O 2.9Å; S44-T46 VanDerWaalsContact OG-O 3.05Å; S44-T67 PolarHBondContact N-O 3.01Å; S44-Y69 PolarHBondContact O-N 3Å
45	Y	65.6	Low	65.6	Low	100 Å²	100	40 Å²	40	39%	0.392	23%	0.227	S	C	.	.			trans	-101.1	2.2	173.1	-66.5	-76.5	0	0	0	112.8	T19 S20 Y21 T43 Y69 T70	T19-Y45 HydrophobicContact CG2-CD2 3.93Å; T19-Y45 HydrophobicContact CG2-CE2 3.71Å; S20-Y45 PolarHBondContact O-N 2.92Å; S20-Y45 VanDerWaalsContact O-N 3.1Å; Y21-Y45 AromaticContact CD1-CD2 3.81Å; Y21-Y45 HydrophobicContact CD1-CD2 3.81Å; Y21-Y45 HydrophobicContact CD1-CE2 4.48Å; Y21-Y45 HydrophobicContact CD1-CG 4.36Å; Y21-Y45 AromaticContact CE1-CD2 3.49Å; Y21-Y45 HydrophobicContact CE1-CD2 3.49Å; Y21-Y45 VanDerWaalsContact CE1-CD2 3.49Å; Y21-Y45 AromaticContact CE1-CE2 3.71Å; Y21-Y45 HydrophobicContact CE1-CE2 3.71Å; Y21-Y45 HydrophobicContact CE1-CG 4.28Å; T43-Y45 HydrophobicContact CG2-CD2 3.91Å; T43-Y45 HydrophobicContact CG2-CE1 4.14Å; T43-Y45 HydrophobicContact CG2-CE2 3.3Å; T43-Y45 VanDerWaalsContact CG2-CZ 3.43Å; Y45-Y69 AromaticContact CD1-CD2 3.65Å; Y45-Y69 HydrophobicContact CD1-CD2 3.65Å; Y45-Y69 HydrophobicContact CD1-CE2 4.3Å; Y45-Y69 HydrophobicContact CD1-CG 4.05Å; Y45-Y69 AromaticContact CE1-CD2 3.39Å; Y45-Y69 HydrophobicContact CE1-CD2 3.39Å; Y45-Y69 AromaticContact CE1-CE2 3.56Å; Y45-Y69 HydrophobicContact CE1-CE2 3.56Å; Y45-Y69 HydrophobicContact CE1-CG 4.03Å; Y45-Y69 AromaticContact CZ-CE2 3.96Å; Y45-T70 VanDerWaalsContact O-CG2 3.29Å; Y45-T70 WeakPolarHBondContact O-CG2 3.45Å
46	T	59	Low	66.2	Low	14 Å²	14	35.1 Å²	35.1	9%	0.086	20%	0.195	C	C	.	.	S	Bend	trans	-130	141.8	-174.6	52.2	0	0	0	0	112	S20 Y21 T22 S44 S48 T70	S20-T46 PolarHBondContact OG-OG1 3.45Å; Y21-T46 VanDerWaalsContact O-CG2 3.29Å; Y21-T46 WeakPolarHBondContact O-CG2 3.36Å; T22-T46 VanDerWaalsContact C-OG1 3.22Å; T22-T46 PolarHBondContact O-OG1 2.93Å; S44-T46 PolarHBondContact OG-O 2.9Å; S44-T46 VanDerWaalsContact OG-O 3.05Å; T46-S48 PolarHBondContact O-N 3.38Å; T46-T70 PolarHBondContact N-OG1 2.85Å; T46-T70 PolarHBondContact O-OG1 3.41Å
47	P	53.6	Low	66.6	Low	74 Å²	74	39.1 Å²	39.1	48%	0.481	21%	0.209	S	C	.	.			trans	-58	115.4	177.5	-19.4	30.7	0	0	0	109.7	T70	P47-T70 HydrophobicContact CG-CG2 4.31Å
48	S	56.9	Low	66.5	Low	4 Å²	4	34.6 Å²	34.6	3%	0.028	18%	0.181	C	C	.	.			trans	-98.3	131.3	170.9	67.3	0	0	0	0	108.8	T46 N50	T46-S48 PolarHBondContact O-N 3.38Å; S48-N50 PolarHBondContact O-N 3.45Å; S48-N50 PolarHBondContact OG-O 2.69Å; S48-N50 VanDerWaalsContact OG-O 3.05Å
49	T	61	Low	66.1	Low	84 Å²	84	33.8 Å²	33.8	52%	0.515	18%	0.181	S	C	.	.	S	Bend	trans	-84.1	19.2	170.7	58	0	0	0	0	111.7	N74	T49-N74 PolarHBondContact O-ND2 3.31Å
50	N	62.6	Low	65.6	Low	34 Å²	34	32.4 Å²	32.4	18%	0.182	17%	0.172	C	C	.	.	S	Bend	trans	-142.4	156.7	-174.3	-61.9	-74.2	0	0	0	111	T25 N26 P27 S48 N74	T25-N50 PolarHBondContact O-ND2 3.14Å; N26-N50 VanDerWaalsContact C-ND2 3.32Å; N26-N50 WeakPolarHBondContact CA-ND2 3.16Å; N26-N50 PolarHBondContact N-ND2 3.47Å; N26-N50 VanDerWaalsContact N-ND2 3.18Å; P27-N50 HydrophobicContact CB-CB 3.87Å; P27-N50 VanDerWaalsContact N-CB 3.28Å; S48-N50 PolarHBondContact O-N 3.45Å; S48-N50 PolarHBondContact OG-O 2.69Å; S48-N50 VanDerWaalsContact OG-O 3.05Å; N50-N74 VanDerWaalsContact C-CB 3.41Å; N50-N74 VanDerWaalsContact CA-ND2 3.29Å; N50-N74 WeakPolarHBondContact CA-ND2 3.48Å; N50-N74 PolarHBondContact N-ND2 3.23Å
51	P	67	Low	65.1	Low	22 Å²	22	36.3 Å²	36.3	14%	0.143	20%	0.195	C	C	.	.			trans	-61.8	156.4	-177.5	25.4	-35.5	0	0	0	112.5	P27 I28 E53 N74 P75	P27-P51 HydrophobicContact CB-CG 4.18Å; I28-P51 PolarHBondContact N-O 3.19Å; I28-P51 VanDerWaalsContact N-O 3.08Å; P51-E53 HydrophobicContact CB-CG 4.32Å; P51-N74 HydrophobicContact CB-CB 4.09Å; P51-N74 VanDerWaalsContact N-CB 3.28Å; P51-P75 WeakPolarHBondContact CA-O 3.45Å; P51-P75 HydrophobicContact CB-CG 4.15Å; P51-P75 WeakPolarHBondContact CB-O 3.46Å
52	I	71.9	Confident	64.7	Low	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	109.9	165.2	-60.2	176.3	0	0	0	105.6	I28 V42 V54 V66 P75 I76 E77	I28-I52 HydrophobicContact CB-CG1 4.38Å; I28-I52 HydrophobicContact CD1-CG1 4.44Å; I28-I52 WeakPolarHBondContact O-CA 3.1Å; V42-I52 HydrophobicContact CG1-CG2 3.95Å; I52-V54 HydrophobicContact CG2-CG2 4.07Å; I52-V66 HydrophobicContact CG2-CG1 4.02Å; I52-P75 PolarHBondContact N-O 2.92Å; I52-P75 VanDerWaalsContact N-O 3.11Å; I52-I76 HydrophobicContact CB-CG1 4.46Å; I52-I76 HydrophobicContact CD1-CG1 4.48Å; I52-I76 WeakPolarHBondContact O-CA 3.46Å; I52-E77 PolarHBondContact O-N 2.92Å
53	E	71.9	Confident	64.5	Low	60 Å²	60	36 Å²	36	28%	0.28	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	113	177.5	-70.5	178.3	-154.9	0	0	108.3	I28 E29 V30 P51 E77	I28-E53 PolarHBondContact O-N 3Å; E29-E53 WeakPolarHBondContact CA-O 3.4Å; E29-E53 HydrophobicContact CG-CB 4.28Å; V30-E53 PolarHBondContact N-O 3.25Å; P51-E53 HydrophobicContact CB-CG 4.32Å; E53-E77 WeakPolarHBondContact CA-O 3.37Å; E53-E77 HydrophobicContact CG-CB 4.38Å
54	V	73.7	Confident	64.4	Low	1 Å²	1	35.1 Å²	35.1	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	107.2	174.4	-174.9	0	0	0	0	107.9	V30 I40 V42 I52 I64 V66 E77 V78 T79	V30-V54 HydrophobicContact CB-CG2 4.49Å; V30-V54 WeakPolarHBondContact O-CA 3.2Å; I40-V54 HydrophobicContact CG2-CG1 3.79Å; V42-V54 HydrophobicContact CB-CG2 4.18Å; V42-V54 HydrophobicContact CG2-CG2 3.66Å; I52-V54 HydrophobicContact CG2-CG2 4.07Å; V54-I64 HydrophobicContact CG1-CG2 3.94Å; V54-V66 HydrophobicContact CB-CG2 4.22Å; V54-V66 HydrophobicContact CG2-CG2 3.68Å; V54-E77 PolarHBondContact N-O 2.85Å; V54-V78 HydrophobicContact CB-CG2 4.42Å; V54-V78 WeakPolarHBondContact O-CA 2.94Å; V54-T79 PolarHBondContact O-N 2.88Å
55	T	73.6	Confident	64.7	Low	20 Å²	20	38 Å²	38	12%	0.123	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.7	177.2	-52.5	0	0	0	0	110.7	V30 T31 S32 Y57 T79 Y81	V30-T55 PolarHBondContact O-N 2.95Å; T31-T55 WeakPolarHBondContact CA-O 3.39Å; S32-T55 PolarHBondContact N-O 3.38Å; T55-Y57 HydrophobicContact CG2-CD2 3.78Å; T55-Y57 HydrophobicContact CG2-CE1 4.21Å; T55-Y57 HydrophobicContact CG2-CE2 3.21Å; T55-Y57 HydrophobicContact CG2-CG 4.48Å; T55-Y57 VanDerWaalsContact CG2-CZ 3.45Å; T55-T79 WeakPolarHBondContact CA-O 2.91Å; T55-Y81 HydrophobicContact CG2-CD2 3.89Å; T55-Y81 HydrophobicContact CG2-CE2 3.71Å
56	S	68.4	Low	65.1	Low	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.4	173.8	-173.4	0	0	0	0	110.7	S32 T58 T79 Y81	S32-S56 WeakPolarHBondContact OG-CA 3.26Å; S32-S56 PolarHBondContact OG-OG 3.43Å; S56-T58 PolarHBondContact OG-O 2.87Å; S56-T79 PolarHBondContact N-O 2.93Å; S56-Y81 PolarHBondContact O-N 2.85Å
57	Y	66.2	Low	65.9	Low	97 Å²	97	33.6 Å²	33.6	38%	0.38	19%	0.188	S	C	.	.			trans	-100.3	2.1	175.3	-68.3	-79.5	0	0	0	112.9	T31 S32 Y33 T55 Y81 T82	T31-Y57 HydrophobicContact CG2-CD2 3.69Å; T31-Y57 HydrophobicContact CG2-CE2 3.59Å; S32-Y57 PolarHBondContact O-N 2.89Å; Y33-Y57 AromaticContact CD1-CD2 3.87Å; Y33-Y57 HydrophobicContact CD1-CD2 3.87Å; Y33-Y57 HydrophobicContact CD1-CG 4.28Å; Y33-Y57 AromaticContact CE1-CD2 3.5Å; Y33-Y57 HydrophobicContact CE1-CD2 3.5Å; Y33-Y57 AromaticContact CE1-CE2 3.79Å; Y33-Y57 HydrophobicContact CE1-CE2 3.79Å; Y33-Y57 HydrophobicContact CE1-CG 4.16Å; T55-Y57 HydrophobicContact CG2-CD2 3.78Å; T55-Y57 HydrophobicContact CG2-CE1 4.21Å; T55-Y57 HydrophobicContact CG2-CE2 3.21Å; T55-Y57 HydrophobicContact CG2-CG 4.48Å; T55-Y57 VanDerWaalsContact CG2-CZ 3.45Å; Y57-Y81 AromaticContact CD1-CD2 3.56Å; Y57-Y81 HydrophobicContact CD1-CD2 3.56Å; Y57-Y81 HydrophobicContact CD1-CE2 4.21Å; Y57-Y81 HydrophobicContact CD1-CG 4.04Å; Y57-Y81 AromaticContact CE1-CD2 3.33Å; Y57-Y81 HydrophobicContact CE1-CD2 3.33Å; Y57-Y81 AromaticContact CE1-CE2 3.49Å; Y57-Y81 HydrophobicContact CE1-CE2 3.49Å; Y57-Y81 VanDerWaalsContact CE1-CE2 3.49Å; Y57-Y81 HydrophobicContact CE1-CG 4.05Å; Y57-Y81 HydrophobicContact CG-CD2 4.36Å; Y57-Y81 AromaticContact CZ-CD2 3.97Å; Y57-Y81 AromaticContact CZ-CE2 3.81Å; Y57-T82 VanDerWaalsContact O-CG2 3.26Å; Y57-T82 WeakPolarHBondContact O-CG2 2.98Å
58	T	60.1	Low	66.6	Low	15 Å²	15	30.1 Å²	30.1	9%	0.092	17%	0.166	C	C	.	.	S	Bend	trans	-131.8	144.3	-176.3	50.4	0	0	0	0	112.9	Y33 T34 P35 S56 S60 T82	Y33-T58 VanDerWaalsContact O-CG2 3.22Å; Y33-T58 WeakPolarHBondContact O-CG2 3.45Å; T34-T58 PolarHBondContact O-OG1 2.65Å; T34-T58 VanDerWaalsContact O-OG1 3.09Å; P35-T58 HydrophobicContact CG-CG2 4.4Å; S56-T58 PolarHBondContact OG-O 2.87Å; T58-S60 PolarHBondContact O-N 3.23Å; T58-T82 WeakPolarHBondContact CA-OG1 3.37Å; T58-T82 PolarHBondContact N-OG1 2.9Å; T58-T82 PolarHBondContact O-OG1 2.72Å
59	P	53.2	Low	67.1	Low	70 Å²	70	34.4 Å²	34.4	46%	0.455	18%	0.182	S	C	.	.			trans	-58.7	112.9	179.5	-17.8	29.3	0	0	0	109.7	T82	P59-T82 HydrophobicContact CG-CG2 4.4Å
60	S	55.4	Low	67	Low	3 Å²	3	31.4 Å²	31.4	2%	0.021	16%	0.164	C	C	.	.			trans	-94.9	130.1	170.5	65.5	0	0	0	0	108.7	T58 N62	T58-S60 PolarHBondContact O-N 3.23Å; S60-N62 PolarHBondContact O-N 3.33Å; S60-N62 PolarHBondContact OG-O 3.25Å
61	T	61	Low	66.5	Low	82 Å²	82	32.7 Å²	32.7	50%	0.503	17%	0.174	S	C	.	.	S	Bend	trans	-82.2	21.2	169.3	58	0	0	0	0	111.6	N86	T61-N86 PolarHBondContact O-ND2 3.03Å
62	N	63	Low	65.9	Low	34 Å²	34	31.7 Å²	31.7	18%	0.182	17%	0.167	C	C	.	.	S	Bend	trans	-145.6	156.7	-173.8	-61.7	-76.2	0	0	0	110.8	T37 N38 P39 S60 N86	T37-N62 WeakPolarHBondContact CA-ND2 3.16Å; T37-N62 PolarHBondContact O-ND2 2.87Å; N38-N62 PolarHBondContact N-ND2 2.86Å; P39-N62 HydrophobicContact CB-CB 3.97Å; P39-N62 VanDerWaalsContact N-CB 3.29Å; S60-N62 PolarHBondContact O-N 3.33Å; S60-N62 PolarHBondContact OG-O 3.25Å; N62-N86 VanDerWaalsContact CA-ND2 3.34Å; N62-N86 WeakPolarHBondContact CA-ND2 3.39Å; N62-N86 PolarHBondContact N-ND2 3.3Å
63	P	68.5	Low	65.4	Low	21 Å²	21	35 Å²	35	14%	0.136	19%	0.188	C	C	.	.			trans	-63.9	158.6	-175.6	25.3	-34.7	0	0	0	112.7	P39 I40 E65 N86 P87	P39-P63 WeakPolarHBondContact CA-O 3.42Å; P39-P63 HydrophobicContact CB-CG 3.99Å; P39-P63 WeakPolarHBondContact CB-O 3.48Å; I40-P63 PolarHBondContact N-O 2.97Å; P63-E65 HydrophobicContact CB-CG 4.3Å; P63-N86 HydrophobicContact CB-CB 4.13Å; P63-N86 VanDerWaalsContact N-CB 3.3Å; P63-P87 VanDerWaalsContact CA-O 3.31Å; P63-P87 WeakPolarHBondContact CA-O 3.2Å; P63-P87 HydrophobicContact CB-CG 4.12Å; P63-P87 WeakPolarHBondContact CB-O 2.88Å
64	I	72.9	Confident	64.9	Low	1 Å²	1	34 Å²	34	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	111.9	164.7	-59.7	176.6	0	0	0	105.6	I40 V54 V66 V78 P87 I88 E89	I40-I64 HydrophobicContact CB-CG1 4.33Å; I40-I64 HydrophobicContact CD1-CG1 4.4Å; I40-I64 WeakPolarHBondContact O-CA 3.37Å; V54-I64 HydrophobicContact CG1-CG2 3.94Å; I64-V66 HydrophobicContact CG2-CG2 4.12Å; I64-V78 HydrophobicContact CG2-CG1 3.98Å; I64-P87 PolarHBondContact N-O 3.47Å; I64-P87 VanDerWaalsContact N-O 3.11Å; I64-I88 HydrophobicContact CB-CG1 4.48Å; I64-I88 HydrophobicContact CD1-CG1 4.5Å; I64-E89 PolarHBondContact O-N 2.99Å
65	E	73	Confident	64.6	Low	61 Å²	61	35 Å²	35	29%	0.285	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.7	178	-68.6	179.6	-155.2	0	0	108.6	I40 E41 V42 P63 E89	I40-E65 PolarHBondContact O-N 3.19Å; E41-E65 WeakPolarHBondContact CA-O 3.44Å; E41-E65 HydrophobicContact CG-CB 4.36Å; V42-E65 PolarHBondContact N-O 3.37Å; P63-E65 HydrophobicContact CB-CG 4.3Å; E65-E89 WeakPolarHBondContact CA-O 3.44Å; E65-E89 HydrophobicContact CG-CB 4.38Å
66	V	74.7	Confident	64.6	Low	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	109.2	174.1	-175.2	0	0	0	0	108	V42 I52 V54 I64 I76 V78 E89 V90 T91	V42-V66 HydrophobicContact CB-CG2 4.45Å; V42-V66 WeakPolarHBondContact O-CA 3.25Å; I52-V66 HydrophobicContact CG2-CG1 4.02Å; V54-V66 HydrophobicContact CB-CG2 4.22Å; V54-V66 HydrophobicContact CG2-CG2 3.68Å; I64-V66 HydrophobicContact CG2-CG2 4.12Å; V66-I76 HydrophobicContact CG1-CG2 3.94Å; V66-V78 HydrophobicContact CB-CG2 4.27Å; V66-V78 HydrophobicContact CG2-CG2 3.71Å; V66-E89 PolarHBondContact N-O 2.93Å; V66-V90 HydrophobicContact CB-CG2 4.46Å; V66-V90 WeakPolarHBondContact O-CA 3.43Å; V66-T91 PolarHBondContact O-N 3.13Å
67	T	74.9	Confident	64.9	Low	21 Å²	21	36.9 Å²	36.9	13%	0.129	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.4	177.3	-47.5	0	0	0	0	111.1	V42 T43 S44 Y69 T91 Y93	V42-T67 PolarHBondContact O-N 3.28Å; T43-T67 WeakPolarHBondContact CA-O 3.07Å; S44-T67 PolarHBondContact N-O 3.01Å; T67-Y69 HydrophobicContact CG2-CD2 3.81Å; T67-Y69 HydrophobicContact CG2-CE1 4.23Å; T67-Y69 HydrophobicContact CG2-CE2 3.23Å; T67-Y69 VanDerWaalsContact CG2-CZ 3.47Å; T67-T91 WeakPolarHBondContact CA-O 3.24Å; T67-Y93 HydrophobicContact CG2-CD2 3.87Å; T67-Y93 HydrophobicContact CG2-CE2 3.66Å
68	S	69.3	Low	65.3	Low	1 Å²	1	32.3 Å²	32.3	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.4	171.9	-172.3	0	0	0	0	110.8	T70 T91 Y93	S68-T70 PolarHBondContact OG-O 3.16Å; S68-T70 VanDerWaalsContact OG-O 3.09Å; S68-T91 PolarHBondContact N-O 3.3Å; S68-Y93 PolarHBondContact O-N 2.83Å
69	Y	66.2	Low	66	Low	95 Å²	95	32.5 Å²	32.5	37%	0.373	18%	0.181	S	C	.	.			trans	-96.5	0.5	177.1	-69.4	-81.7	0	0	0	113.4	T43 S44 Y45 T67 Y93 T94	T43-Y69 HydrophobicContact CG2-CD2 3.89Å; T43-Y69 HydrophobicContact CG2-CE2 3.71Å; S44-Y69 PolarHBondContact O-N 3Å; Y45-Y69 AromaticContact CD1-CD2 3.65Å; Y45-Y69 HydrophobicContact CD1-CD2 3.65Å; Y45-Y69 HydrophobicContact CD1-CE2 4.3Å; Y45-Y69 HydrophobicContact CD1-CG 4.05Å; Y45-Y69 AromaticContact CE1-CD2 3.39Å; Y45-Y69 HydrophobicContact CE1-CD2 3.39Å; Y45-Y69 AromaticContact CE1-CE2 3.56Å; Y45-Y69 HydrophobicContact CE1-CE2 3.56Å; Y45-Y69 HydrophobicContact CE1-CG 4.03Å; Y45-Y69 AromaticContact CZ-CE2 3.96Å; T67-Y69 HydrophobicContact CG2-CD2 3.81Å; T67-Y69 HydrophobicContact CG2-CE1 4.23Å; T67-Y69 HydrophobicContact CG2-CE2 3.23Å; T67-Y69 VanDerWaalsContact CG2-CZ 3.47Å; Y69-Y93 AromaticContact CD1-CD2 3.53Å; Y69-Y93 HydrophobicContact CD1-CD2 3.53Å; Y69-Y93 HydrophobicContact CD1-CE2 4.12Å; Y69-Y93 HydrophobicContact CD1-CG 4.05Å; Y69-Y93 AromaticContact CE1-CD2 3.39Å; Y69-Y93 HydrophobicContact CE1-CD2 3.39Å; Y69-Y93 AromaticContact CE1-CE2 3.47Å; Y69-Y93 HydrophobicContact CE1-CE2 3.47Å; Y69-Y93 VanDerWaalsContact CE1-CE2 3.47Å; Y69-Y93 HydrophobicContact CE1-CG 4.15Å; Y69-Y93 HydrophobicContact CG-CD2 4.28Å; Y69-Y93 AromaticContact CZ-CE2 3.84Å; Y69-T94 VanDerWaalsContact C-OG1 3.29Å; Y69-T94 VanDerWaalsContact O-CG2 3.31Å; Y69-T94 WeakPolarHBondContact O-CG2 3.48Å
70	T	59.9	Low	66.7	Low	21 Å²	21	29.2 Å²	29.2	13%	0.129	16%	0.16	C	C	.	.	S	Bend	trans	-138.3	149.2	-174.5	42.1	0	0	0	0	113.3	Y45 T46 P47 S68 S72 T94	Y45-T70 VanDerWaalsContact O-CG2 3.29Å; Y45-T70 WeakPolarHBondContact O-CG2 3.45Å; T46-T70 PolarHBondContact N-OG1 2.85Å; T46-T70 PolarHBondContact O-OG1 3.41Å; P47-T70 HydrophobicContact CG-CG2 4.31Å; S68-T70 PolarHBondContact OG-O 3.16Å; S68-T70 VanDerWaalsContact OG-O 3.09Å; T70-S72 PolarHBondContact O-N 3.3Å; T70-T94 WeakPolarHBondContact CA-OG1 3.2Å; T70-T94 PolarHBondContact N-OG1 2.9Å; T70-T94 PolarHBondContact O-OG1 2.91Å
71	P	51.4	Low	67.2	Low	61 Å²	61	33.4 Å²	33.4	40%	0.396	18%	0.176	S	C	.	.			trans	-60.2	113.5	-174.8	-14.1	25.2	0	0	0	110	T94	P71-T94 HydrophobicContact CG-CG2 4.47Å
72	S	54.7	Low	67.2	Low	1 Å²	1	30.6 Å²	30.6	1%	0.007	16%	0.159	C	C	.	.			trans	-89.7	129	168.1	66.6	0	0	0	0	108.1	T70 N74 S96 T97	T70-S72 PolarHBondContact O-N 3.3Å; S72-N74 PolarHBondContact O-N 2.97Å; S72-N74 PolarHBondContact OG-O 3.45Å; S72-S96 WeakPolarHBondContact O-CA 3.44Å; S72-T97 PolarHBondContact O-N 2.87Å
73	T	60.4	Low	66.6	Low	71 Å²	71	32 Å²	32	44%	0.436	17%	0.169	S	C	.	.	S	Bend	trans	-81.1	18.5	171.2	58.7	0	0	0	0	111.6	T97 N98	T73-T97 WeakPolarHBondContact CA-OG1 3.04Å; T73-N98 PolarHBondContact O-ND2 2.92Å
74	N	62.6	Low	65.9	Low	38 Å²	38	31.1 Å²	31.1	20%	0.203	16%	0.164	C	C	.	.	S	Bend	trans	-150.7	157.8	-167.4	-71.1	-76.9	0	0	0	111	T49 N50 P51 S72 N98	T49-N74 PolarHBondContact O-ND2 3.31Å; N50-N74 VanDerWaalsContact C-CB 3.41Å; N50-N74 VanDerWaalsContact CA-ND2 3.29Å; N50-N74 WeakPolarHBondContact CA-ND2 3.48Å; N50-N74 PolarHBondContact N-ND2 3.23Å; P51-N74 HydrophobicContact CB-CB 4.09Å; P51-N74 VanDerWaalsContact N-CB 3.28Å; S72-N74 PolarHBondContact O-N 2.97Å; S72-N74 PolarHBondContact OG-O 3.45Å; N74-N98 VanDerWaalsContact CA-ND2 3.31Å; N74-N98 WeakPolarHBondContact CA-ND2 3.42Å; N74-N98 PolarHBondContact N-ND2 2.88Å
75	P	67.8	Low	65.3	Low	21 Å²	21	34.3 Å²	34.3	14%	0.136	18%	0.184	C	C	.	.			trans	-64.7	156	-172.5	25.1	-34.6	0	0	0	112.6	P51 I52 E77 N98 P99	P51-P75 WeakPolarHBondContact CA-O 3.45Å; P51-P75 HydrophobicContact CB-CG 4.15Å; P51-P75 WeakPolarHBondContact CB-O 3.46Å; I52-P75 PolarHBondContact N-O 2.92Å; I52-P75 VanDerWaalsContact N-O 3.11Å; P75-E77 HydrophobicContact CB-CG 4.32Å; P75-N98 HydrophobicContact CB-CB 4.29Å; P75-N98 VanDerWaalsContact N-CB 3.34Å; P75-P99 VanDerWaalsContact CA-O 3.27Å; P75-P99 WeakPolarHBondContact CA-O 3.4Å; P75-P99 HydrophobicContact CB-CG 4.12Å; P75-P99 WeakPolarHBondContact CB-O 3.14Å
76	I	73.3	Confident	64.8	Low	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	112.4	164.5	-60	176.4	0	0	0	105.6	I52 V66 V78 V90 P99 E101	I52-I76 HydrophobicContact CB-CG1 4.46Å; I52-I76 HydrophobicContact CD1-CG1 4.48Å; I52-I76 WeakPolarHBondContact O-CA 3.46Å; V66-I76 HydrophobicContact CG1-CG2 3.94Å; I76-V78 HydrophobicContact CG2-CG2 4.13Å; I76-V90 HydrophobicContact CG2-CG1 4.06Å; I76-P99 PolarHBondContact N-O 2.86Å; I76-P99 VanDerWaalsContact N-O 3.13Å; I76-E101 PolarHBondContact O-N 3.49Å
77	E	73.4	Confident	64.5	Low	60 Å²	60	34.1 Å²	34.1	28%	0.28	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	116.3	178	-68	179.4	-156.2	0	0	108.6	I52 E53 V54 P75 E101	I52-E77 PolarHBondContact O-N 2.92Å; E53-E77 WeakPolarHBondContact CA-O 3.37Å; E53-E77 HydrophobicContact CG-CB 4.38Å; V54-E77 PolarHBondContact N-O 2.85Å; P75-E77 HydrophobicContact CB-CG 4.32Å; E77-E101 HydrophobicContact CG-CB 4.39Å
78	V	74.8	Confident	64.4	Low	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	108.7	174.2	-175	0	0	0	0	108.2	V54 I64 V66 I76 I88 V90 E101 V102 T103	V54-V78 HydrophobicContact CB-CG2 4.42Å; V54-V78 WeakPolarHBondContact O-CA 2.94Å; I64-V78 HydrophobicContact CG2-CG1 3.98Å; V66-V78 HydrophobicContact CB-CG2 4.27Å; V66-V78 HydrophobicContact CG2-CG2 3.71Å; I76-V78 HydrophobicContact CG2-CG2 4.13Å; V78-I88 HydrophobicContact CG1-CG2 3.92Å; V78-V90 HydrophobicContact CB-CG2 4.25Å; V78-V90 HydrophobicContact CG2-CG2 3.7Å; V78-E101 PolarHBondContact N-O 3.25Å; V78-V102 HydrophobicContact CB-CG2 4.48Å; V78-V102 WeakPolarHBondContact O-CA 3.14Å; V78-T103 PolarHBondContact O-N 3.02Å
79	T	75	Confident	64.6	Low	19 Å²	19	36 Å²	36	12%	0.117	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.5	178.8	-57.2	0	0	0	0	111	V54 T55 S56 Y81 T103 Y105	V54-T79 PolarHBondContact O-N 2.88Å; T55-T79 WeakPolarHBondContact CA-O 2.91Å; S56-T79 PolarHBondContact N-O 2.93Å; T79-Y81 HydrophobicContact CG2-CD2 3.79Å; T79-Y81 HydrophobicContact CG2-CE1 4.11Å; T79-Y81 HydrophobicContact CG2-CE2 3.26Å; T79-Y81 HydrophobicContact CG2-CG 4.42Å; T79-Y81 VanDerWaalsContact CG2-CZ 3.44Å; T79-T103 WeakPolarHBondContact CA-O 3.39Å; T79-Y105 HydrophobicContact CG2-CD2 3.96Å; T79-Y105 HydrophobicContact CG2-CE2 3.75Å
80	S	69.3	Low	65	Low	1 Å²	1	31.4 Å²	31.4	1%	0.007	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.1	172.3	-173.6	0	0	0	0	110.9	T82 T103 Y105	S80-T82 PolarHBondContact OG-O 3.04Å; S80-T103 PolarHBondContact N-O 3.05Å; S80-Y105 PolarHBondContact O-N 2.89Å
81	Y	66	Low	65.8	Low	91 Å²	91	31.4 Å²	31.4	36%	0.357	18%	0.175	S	C	.	.			trans	-97.9	0.3	178.6	-70.1	-76.8	0	0	0	113.8	T55 S56 Y57 T79 Y105 T106	T55-Y81 HydrophobicContact CG2-CD2 3.89Å; T55-Y81 HydrophobicContact CG2-CE2 3.71Å; S56-Y81 PolarHBondContact O-N 2.85Å; Y57-Y81 AromaticContact CD1-CD2 3.56Å; Y57-Y81 HydrophobicContact CD1-CD2 3.56Å; Y57-Y81 HydrophobicContact CD1-CE2 4.21Å; Y57-Y81 HydrophobicContact CD1-CG 4.04Å; Y57-Y81 AromaticContact CE1-CD2 3.33Å; Y57-Y81 HydrophobicContact CE1-CD2 3.33Å; Y57-Y81 AromaticContact CE1-CE2 3.49Å; Y57-Y81 HydrophobicContact CE1-CE2 3.49Å; Y57-Y81 VanDerWaalsContact CE1-CE2 3.49Å; Y57-Y81 HydrophobicContact CE1-CG 4.05Å; Y57-Y81 HydrophobicContact CG-CD2 4.36Å; Y57-Y81 AromaticContact CZ-CD2 3.97Å; Y57-Y81 AromaticContact CZ-CE2 3.81Å; T79-Y81 HydrophobicContact CG2-CD2 3.79Å; T79-Y81 HydrophobicContact CG2-CE1 4.11Å; T79-Y81 HydrophobicContact CG2-CE2 3.26Å; T79-Y81 HydrophobicContact CG2-CG 4.42Å; T79-Y81 VanDerWaalsContact CG2-CZ 3.44Å; Y81-Y105 AromaticContact CD1-CD2 3.55Å; Y81-Y105 HydrophobicContact CD1-CD2 3.55Å; Y81-Y105 HydrophobicContact CD1-CE2 4.15Å; Y81-Y105 AromaticContact CD1-CG 3.96Å; Y81-Y105 HydrophobicContact CD1-CG 3.96Å; Y81-Y105 AromaticContact CE1-CD2 3.41Å; Y81-Y105 HydrophobicContact CE1-CD2 3.41Å; Y81-Y105 VanDerWaalsContact CE1-CD2 3.41Å; Y81-Y105 AromaticContact CE1-CE2 3.51Å; Y81-Y105 HydrophobicContact CE1-CE2 3.51Å; Y81-Y105 HydrophobicContact CE1-CG 4.07Å; Y81-Y105 HydrophobicContact CG-CD2 4.38Å; Y81-Y105 AromaticContact CZ-CE2 3.98Å; Y81-T106 VanDerWaalsContact O-CG2 3.28Å; Y81-T106 WeakPolarHBondContact O-CG2 2.96Å
82	T	59.1	Low	66.6	Low	24 Å²	24	28.6 Å²	28.6	15%	0.147	16%	0.157	C	C	.	.	S	Bend	trans	-141.2	149.1	-174.8	44.8	0	0	0	0	113.1	Y57 T58 P59 S80 S84 T106	Y57-T82 VanDerWaalsContact O-CG2 3.26Å; Y57-T82 WeakPolarHBondContact O-CG2 2.98Å; T58-T82 WeakPolarHBondContact CA-OG1 3.37Å; T58-T82 PolarHBondContact N-OG1 2.9Å; T58-T82 PolarHBondContact O-OG1 2.72Å; P59-T82 HydrophobicContact CG-CG2 4.4Å; S80-T82 PolarHBondContact OG-O 3.04Å; T82-S84 PolarHBondContact O-N 2.85Å; T82-T106 WeakPolarHBondContact CA-OG1 3.38Å; T82-T106 PolarHBondContact N-OG1 2.87Å; T82-T106 PolarHBondContact O-OG1 3.14Å; T82-T106 VanDerWaalsContact O-OG1 3.07Å
83	P	50.8	Low	67.1	Low	62 Å²	62	32.9 Å²	32.9	40%	0.403	17%	0.173	S	C	.	.			trans	-58.8	113.7	-173.6	-18.7	29.4	0	0	0	110.4	T106	P83-T106 HydrophobicContact CG-CG2 4.49Å
84	S	54.6	Low	67	Low	3 Å²	3	30.8 Å²	30.8	2%	0.021	16%	0.16	C	C	.	.			trans	-90	130.8	167.5	65.4	0	0	0	0	108.3	T82 N86 S108 T109	T82-S84 PolarHBondContact O-N 2.85Å; S84-N86 PolarHBondContact O-N 2.86Å; S84-N86 PolarHBondContact OG-O 2.87Å; S84-S108 WeakPolarHBondContact O-CA 3.49Å; S84-T109 PolarHBondContact O-N 2.8Å
85	T	60.5	Low	66.4	Low	68 Å²	68	31.6 Å²	31.6	42%	0.417	17%	0.168	S	C	.	.	S	Bend	trans	-81.2	17.1	171.7	58.6	0	0	0	0	111.7	T109 N110	T85-T109 VanDerWaalsContact CA-OG1 3.28Å; T85-T109 WeakPolarHBondContact CA-OG1 3.4Å; T85-T109 PolarHBondContact O-OG1 2.87Å; T85-N110 VanDerWaalsContact C-ND2 3.31Å; T85-N110 PolarHBondContact O-ND2 2.91Å
86	N	62.8	Low	65.8	Low	37 Å²	37	30.7 Å²	30.7	20%	0.198	16%	0.162	C	C	.	.	S	Bend	trans	-149.8	157.5	-166.6	-72.5	-77	0	0	0	111.1	T61 N62 P63 S84 N110	T61-N86 PolarHBondContact O-ND2 3.03Å; N62-N86 VanDerWaalsContact CA-ND2 3.34Å; N62-N86 WeakPolarHBondContact CA-ND2 3.39Å; N62-N86 PolarHBondContact N-ND2 3.3Å; P63-N86 HydrophobicContact CB-CB 4.13Å; P63-N86 VanDerWaalsContact N-CB 3.3Å; S84-N86 PolarHBondContact O-N 2.86Å; S84-N86 PolarHBondContact OG-O 2.87Å; N86-N110 VanDerWaalsContact CA-ND2 3.33Å; N86-N110 WeakPolarHBondContact CA-ND2 3.38Å
87	P	68	Low	65.1	Low	21 Å²	21	33.8 Å²	33.8	14%	0.136	18%	0.181	C	C	.	.			trans	-65.4	156.4	-171.3	25.2	-34.2	0	0	0	112.6	P63 I64 E89 N110 P111	P63-P87 VanDerWaalsContact CA-O 3.31Å; P63-P87 WeakPolarHBondContact CA-O 3.2Å; P63-P87 HydrophobicContact CB-CG 4.12Å; P63-P87 WeakPolarHBondContact CB-O 2.88Å; I64-P87 PolarHBondContact N-O 3.47Å; I64-P87 VanDerWaalsContact N-O 3.11Å; P87-E89 HydrophobicContact CB-CG 4.29Å; P87-N110 HydrophobicContact CB-CB 4.35Å; P87-P111 VanDerWaalsContact CA-O 3.23Å; P87-P111 WeakPolarHBondContact CA-O 3.14Å; P87-P111 HydrophobicContact CB-CG 4.1Å; P87-P111 WeakPolarHBondContact CB-O 3.07Å
88	I	73.1	Confident	64.6	Low	1 Å²	1	33 Å²	33	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	113.4	164.3	-60.1	176.2	0	0	0	105.5	I64 V78 V90 V102 P111 E113	I64-I88 HydrophobicContact CB-CG1 4.48Å; I64-I88 HydrophobicContact CD1-CG1 4.5Å; V78-I88 HydrophobicContact CG1-CG2 3.92Å; I88-V90 HydrophobicContact CG2-CG2 4.13Å; I88-V102 HydrophobicContact CG2-CG1 4.03Å; I88-P111 PolarHBondContact N-O 3.49Å; I88-P111 VanDerWaalsContact N-O 3.13Å; I88-E113 PolarHBondContact O-N 3Å
89	E	73.2	Confident	64.2	Low	59 Å²	59	33.9 Å²	33.9	28%	0.276	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.8	178.5	-66.8	-179.1	-157.4	0	0	108.7	I64 E65 V66 P87 E113	I64-E89 PolarHBondContact O-N 2.99Å; E65-E89 WeakPolarHBondContact CA-O 3.44Å; E65-E89 HydrophobicContact CG-CB 4.38Å; V66-E89 PolarHBondContact N-O 2.93Å; P87-E89 HydrophobicContact CB-CG 4.29Å; E89-E113 WeakPolarHBondContact CA-O 3.42Å; E89-E113 HydrophobicContact CG-CB 4.4Å
90	V	75	Confident	64.1	Low	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	108.8	174.1	-175.1	0	0	0	0	108.2	V66 I76 V78 I88 I100 V102 E113 T115	V66-V90 HydrophobicContact CB-CG2 4.46Å; V66-V90 WeakPolarHBondContact O-CA 3.43Å; I76-V90 HydrophobicContact CG2-CG1 4.06Å; V78-V90 HydrophobicContact CB-CG2 4.25Å; V78-V90 HydrophobicContact CG2-CG2 3.7Å; I88-V90 HydrophobicContact CG2-CG2 4.13Å; V90-I100 HydrophobicContact CG1-CG2 3.9Å; V90-V102 HydrophobicContact CB-CG2 4.27Å; V90-V102 HydrophobicContact CG2-CG2 3.72Å; V90-E113 PolarHBondContact N-O 3.2Å; V90-T115 PolarHBondContact O-N 3.04Å
91	T	75.2	Confident	64.3	Low	21 Å²	21	35.9 Å²	35.9	13%	0.129	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.3	179.2	-59	0	0	0	0	111	V66 T67 S68 Y93 T115 Y117	V66-T91 PolarHBondContact O-N 3.13Å; T67-T91 WeakPolarHBondContact CA-O 3.24Å; S68-T91 PolarHBondContact N-O 3.3Å; T91-Y93 HydrophobicContact CG2-CD2 3.8Å; T91-Y93 HydrophobicContact CG2-CE1 4.09Å; T91-Y93 HydrophobicContact CG2-CE2 3.28Å; T91-Y93 HydrophobicContact CG2-CG 4.4Å; T91-Y93 VanDerWaalsContact CG2-CZ 3.44Å; T91-T115 WeakPolarHBondContact CA-O 3.34Å; T91-Y117 HydrophobicContact CG2-CD2 4Å; T91-Y117 HydrophobicContact CG2-CE2 3.77Å
92	S	68.8	Low	64.7	Low	1 Å²	1	31.6 Å²	31.6	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.1	172.9	-173.9	0	0	0	0	110.9	T94 T115 Y117	S92-T94 PolarHBondContact OG-O 2.88Å; S92-T115 PolarHBondContact N-O 3.12Å; S92-Y117 PolarHBondContact O-N 3.24Å
93	Y	65.5	Low	65.4	Low	92 Å²	92	31.3 Å²	31.3	36%	0.361	17%	0.174	S	C	.	.			trans	-95.8	-0.9	180	-70.4	-76.3	0	0	0	114.1	T67 S68 Y69 T91 Y117 T118	T67-Y93 HydrophobicContact CG2-CD2 3.87Å; T67-Y93 HydrophobicContact CG2-CE2 3.66Å; S68-Y93 PolarHBondContact O-N 2.83Å; Y69-Y93 AromaticContact CD1-CD2 3.53Å; Y69-Y93 HydrophobicContact CD1-CD2 3.53Å; Y69-Y93 HydrophobicContact CD1-CE2 4.12Å; Y69-Y93 HydrophobicContact CD1-CG 4.05Å; Y69-Y93 AromaticContact CE1-CD2 3.39Å; Y69-Y93 HydrophobicContact CE1-CD2 3.39Å; Y69-Y93 AromaticContact CE1-CE2 3.47Å; Y69-Y93 HydrophobicContact CE1-CE2 3.47Å; Y69-Y93 VanDerWaalsContact CE1-CE2 3.47Å; Y69-Y93 HydrophobicContact CE1-CG 4.15Å; Y69-Y93 HydrophobicContact CG-CD2 4.28Å; Y69-Y93 AromaticContact CZ-CE2 3.84Å; T91-Y93 HydrophobicContact CG2-CD2 3.8Å; T91-Y93 HydrophobicContact CG2-CE1 4.09Å; T91-Y93 HydrophobicContact CG2-CE2 3.28Å; T91-Y93 HydrophobicContact CG2-CG 4.4Å; T91-Y93 VanDerWaalsContact CG2-CZ 3.44Å; Y93-Y117 AromaticContact CD1-CD2 3.53Å; Y93-Y117 HydrophobicContact CD1-CD2 3.53Å; Y93-Y117 HydrophobicContact CD1-CE2 4.11Å; Y93-Y117 AromaticContact CD1-CG 3.98Å; Y93-Y117 HydrophobicContact CD1-CG 3.98Å; Y93-Y117 AromaticContact CE1-CD2 3.45Å; Y93-Y117 HydrophobicContact CE1-CD2 3.45Å; Y93-Y117 VanDerWaalsContact CE1-CD2 3.45Å; Y93-Y117 AromaticContact CE1-CE2 3.51Å; Y93-Y117 HydrophobicContact CE1-CE2 3.51Å; Y93-Y117 HydrophobicContact CE1-CG 4.13Å; Y93-Y117 HydrophobicContact CG-CD2 4.36Å; Y93-T118 VanDerWaalsContact O-CG2 3.3Å; Y93-T118 WeakPolarHBondContact O-CG2 3.42Å
94	T	58.8	Low	66.2	Low	26 Å²	26	28.4 Å²	28.4	16%	0.16	16%	0.155	C	C	.	.	S	Bend	trans	-146.3	148.3	-174.2	38.9	0	0	0	0	112.5	Y69 T70 P71 S92 S96 T118	Y69-T94 VanDerWaalsContact C-OG1 3.29Å; Y69-T94 VanDerWaalsContact O-CG2 3.31Å; Y69-T94 WeakPolarHBondContact O-CG2 3.48Å; T70-T94 WeakPolarHBondContact CA-OG1 3.2Å; T70-T94 PolarHBondContact N-OG1 2.9Å; T70-T94 PolarHBondContact O-OG1 2.91Å; P71-T94 HydrophobicContact CG-CG2 4.47Å; S92-T94 PolarHBondContact OG-O 2.88Å; T94-S96 PolarHBondContact O-N 3.29Å; T94-T118 WeakPolarHBondContact CA-OG1 2.8Å; T94-T118 PolarHBondContact N-OG1 3.3Å; T94-T118 PolarHBondContact O-OG1 2.95Å
95	P	49.9	Very low	66.7	Low	55 Å²	55	32.6 Å²	32.6	36%	0.357	17%	0.171	S	C	.	.			trans	-61.5	113.8	-167.5	22.8	-33.1	0	0	0	110.6	T118 P119	P95-T118 VanDerWaalsContact N-OG1 3.11Å; P95-P119 WeakPolarHBondContact CB-O 3.44Å
96	S	54.2	Low	66.6	Low	3 Å²	3	30.6 Å²	30.6	2%	0.021	16%	0.159	C	C	.	.			trans	-84.2	131.4	167.1	66.2	0	0	0	0	108.5	S72 T94 N98 S120 T121	S72-S96 WeakPolarHBondContact O-CA 3.44Å; T94-S96 PolarHBondContact O-N 3.29Å; S96-N98 PolarHBondContact O-N 3.11Å; S96-N98 PolarHBondContact OG-O 2.91Å; S96-S120 WeakPolarHBondContact O-CA 3.44Å; S96-T121 PolarHBondContact O-N 2.93Å
97	T	59.8	Low	66	Low	65 Å²	65	31.5 Å²	31.5	40%	0.399	17%	0.167	S	C	.	.	S	Bend	trans	-81.6	17.9	171.6	62	0	0	0	0	111.7	S72 T73 T121 N122	S72-T97 PolarHBondContact O-N 2.87Å; T73-T97 WeakPolarHBondContact CA-OG1 3.04Å; T97-T121 VanDerWaalsContact CA-OG1 3.31Å; T97-T121 WeakPolarHBondContact CA-OG1 3.44Å; T97-T121 PolarHBondContact O-OG1 3.45Å; T97-N122 VanDerWaalsContact C-ND2 3.28Å; T97-N122 PolarHBondContact O-ND2 2.8Å
98	N	62.1	Low	65.3	Low	44 Å²	44	30.6 Å²	30.6	24%	0.235	16%	0.161	C	C	.	.	S	Bend	trans	-153.8	156.9	-167.1	-87.6	-47.3	0	0	0	111.4	T73 N74 P75 S96 N122	T73-N98 PolarHBondContact O-ND2 2.92Å; N74-N98 VanDerWaalsContact CA-ND2 3.31Å; N74-N98 WeakPolarHBondContact CA-ND2 3.42Å; N74-N98 PolarHBondContact N-ND2 2.88Å; P75-N98 HydrophobicContact CB-CB 4.29Å; P75-N98 VanDerWaalsContact N-CB 3.34Å; S96-N98 PolarHBondContact O-N 3.11Å; S96-N98 PolarHBondContact OG-O 2.91Å; N98-N122 VanDerWaalsContact CA-ND2 3.34Å; N98-N122 WeakPolarHBondContact CA-ND2 3.44Å
99	P	67	Low	64.7	Low	19 Å²	19	33.5 Å²	33.5	12%	0.123	18%	0.179	C	C	.	.			trans	-65.7	155.9	-167.5	24.8	-33.3	0	0	0	112.5	P75 I76 E101 N122 P123	P75-P99 VanDerWaalsContact CA-O 3.27Å; P75-P99 WeakPolarHBondContact CA-O 3.4Å; P75-P99 HydrophobicContact CB-CG 4.12Å; P75-P99 WeakPolarHBondContact CB-O 3.14Å; I76-P99 PolarHBondContact N-O 2.86Å; I76-P99 VanDerWaalsContact N-O 3.13Å; P99-E101 HydrophobicContact CB-CG 4.34Å; P99-N122 HydrophobicContact CB-CB 4.3Å; P99-P123 VanDerWaalsContact CA-O 3.27Å; P99-P123 WeakPolarHBondContact CA-O 3.22Å; P99-P123 HydrophobicContact CB-CG 4.12Å; P99-P123 WeakPolarHBondContact CB-O 3.41Å
100	I	72.4	Confident	64.1	Low	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	114.1	164.8	-60.2	176.3	0	0	0	105.6	V90 V102 V114 P123 E125	V90-I100 HydrophobicContact CG1-CG2 3.9Å; I100-V102 HydrophobicContact CG2-CG2 4.16Å; I100-V114 HydrophobicContact CG2-CG1 4.05Å; I100-P123 PolarHBondContact N-O 2.98Å; I100-P123 VanDerWaalsContact N-O 3.16Å; I100-E125 PolarHBondContact O-N 2.77Å
101	E	72.5	Confident	63.7	Low	60 Å²	60	33.6 Å²	33.6	28%	0.28	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.5	178.5	-67.2	-179.3	-157	0	0	108.6	I76 E77 V78 P99 E125	I76-E101 PolarHBondContact O-N 3.49Å; E77-E101 HydrophobicContact CG-CB 4.39Å; V78-E101 PolarHBondContact N-O 3.25Å; P99-E101 HydrophobicContact CB-CG 4.34Å; E101-E125 HydrophobicContact CG-CB 4.39Å
102	V	74.7	Confident	63.6	Low	1 Å²	1	32.7 Å²	32.7	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	109.3	173.9	-175.6	0	0	0	0	108.2	V78 I88 V90 I100 I112 V114 E125 T127	V78-V102 HydrophobicContact CB-CG2 4.48Å; V78-V102 WeakPolarHBondContact O-CA 3.14Å; I88-V102 HydrophobicContact CG2-CG1 4.03Å; V90-V102 HydrophobicContact CB-CG2 4.27Å; V90-V102 HydrophobicContact CG2-CG2 3.72Å; I100-V102 HydrophobicContact CG2-CG2 4.16Å; V102-I112 HydrophobicContact CG1-CG2 3.89Å; V102-V114 HydrophobicContact CB-CG2 4.25Å; V102-V114 HydrophobicContact CG2-CG2 3.68Å; V102-E125 PolarHBondContact N-O 3.31Å; V102-T127 PolarHBondContact O-N 3.28Å
103	T	74.2	Confident	63.7	Low	19 Å²	19	35.4 Å²	35.4	12%	0.117	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.1	179	-55.1	0	0	0	0	111.3	V78 T79 S80 Y105 T127 Y129	V78-T103 PolarHBondContact O-N 3.02Å; T79-T103 WeakPolarHBondContact CA-O 3.39Å; S80-T103 PolarHBondContact N-O 3.05Å; T103-Y105 HydrophobicContact CG2-CD2 3.76Å; T103-Y105 HydrophobicContact CG2-CE1 4.24Å; T103-Y105 HydrophobicContact CG2-CE2 3.22Å; T103-Y105 HydrophobicContact CG2-CG 4.46Å; T103-Y105 VanDerWaalsContact CG2-CZ 3.49Å; T103-T127 WeakPolarHBondContact CA-O 3.12Å; T103-Y129 HydrophobicContact CG2-CD2 3.95Å; T103-Y129 HydrophobicContact CG2-CE2 3.7Å
104	S	68.2	Low	64.2	Low	1 Å²	1	31 Å²	31	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.9	172.4	-176.8	0	0	0	0	111	T106 T127 Y129	S104-T106 PolarHBondContact OG-O 2.93Å; S104-T106 VanDerWaalsContact OG-O 3.12Å; S104-T127 PolarHBondContact N-O 2.85Å; S104-Y129 PolarHBondContact O-N 2.92Å
105	Y	65.3	Low	64.9	Low	91 Å²	91	30.7 Å²	30.7	36%	0.357	17%	0.17	S	C	.	.			trans	-94.6	-1.9	-179.8	-71.4	-82.5	0	0	0	114	T79 S80 Y81 T103 Y129 T130	T79-Y105 HydrophobicContact CG2-CD2 3.96Å; T79-Y105 HydrophobicContact CG2-CE2 3.75Å; S80-Y105 PolarHBondContact O-N 2.89Å; Y81-Y105 AromaticContact CD1-CD2 3.55Å; Y81-Y105 HydrophobicContact CD1-CD2 3.55Å; Y81-Y105 HydrophobicContact CD1-CE2 4.15Å; Y81-Y105 AromaticContact CD1-CG 3.96Å; Y81-Y105 HydrophobicContact CD1-CG 3.96Å; Y81-Y105 AromaticContact CE1-CD2 3.41Å; Y81-Y105 HydrophobicContact CE1-CD2 3.41Å; Y81-Y105 VanDerWaalsContact CE1-CD2 3.41Å; Y81-Y105 AromaticContact CE1-CE2 3.51Å; Y81-Y105 HydrophobicContact CE1-CE2 3.51Å; Y81-Y105 HydrophobicContact CE1-CG 4.07Å; Y81-Y105 HydrophobicContact CG-CD2 4.38Å; Y81-Y105 AromaticContact CZ-CE2 3.98Å; T103-Y105 HydrophobicContact CG2-CD2 3.76Å; T103-Y105 HydrophobicContact CG2-CE1 4.24Å; T103-Y105 HydrophobicContact CG2-CE2 3.22Å; T103-Y105 HydrophobicContact CG2-CG 4.46Å; T103-Y105 VanDerWaalsContact CG2-CZ 3.49Å; Y105-Y129 AromaticContact CD1-CD2 3.63Å; Y105-Y129 HydrophobicContact CD1-CD2 3.63Å; Y105-Y129 HydrophobicContact CD1-CE2 4.17Å; Y105-Y129 HydrophobicContact CD1-CG 4.1Å; Y105-Y129 AromaticContact CE1-CD2 3.58Å; Y105-Y129 HydrophobicContact CE1-CD2 3.58Å; Y105-Y129 AromaticContact CE1-CE2 3.61Å; Y105-Y129 HydrophobicContact CE1-CE2 3.61Å; Y105-Y129 HydrophobicContact CE1-CG 4.27Å; Y105-Y129 HydrophobicContact CG-CD2 4.33Å; Y105-T130 WeakPolarHBondContact O-CG2 3.25Å
106	T	57.9	Low	65.7	Low	25 Å²	25	28.1 Å²	28.1	15%	0.153	15%	0.153	C	C	.	.	S	Bend	trans	-146.7	148.8	-173.5	43.3	0	0	0	0	112.6	Y81 T82 P83 S104 S108 T130	Y81-T106 VanDerWaalsContact O-CG2 3.28Å; Y81-T106 WeakPolarHBondContact O-CG2 2.96Å; T82-T106 WeakPolarHBondContact CA-OG1 3.38Å; T82-T106 PolarHBondContact N-OG1 2.87Å; T82-T106 PolarHBondContact O-OG1 3.14Å; T82-T106 VanDerWaalsContact O-OG1 3.07Å; P83-T106 HydrophobicContact CG-CG2 4.49Å; S104-T106 PolarHBondContact OG-O 2.93Å; S104-T106 VanDerWaalsContact OG-O 3.12Å; T106-S108 PolarHBondContact O-N 2.89Å; T106-T130 WeakPolarHBondContact CA-OG1 3.48Å; T106-T130 PolarHBondContact N-OG1 3.46Å; T106-T130 PolarHBondContact O-OG1 2.9Å
107	P	49.9	Very low	66.2	Low	56 Å²	56	32.3 Å²	32.3	36%	0.364	17%	0.169	S	C	.	.			trans	-61	113.9	-167.2	22	-32.8	0	0	0	110.7	P131	P107-P131 WeakPolarHBondContact CA-O 3.19Å; P107-P131 WeakPolarHBondContact CB-O 3.34Å
108	S	53.8	Low	66.1	Low	2 Å²	2	30.5 Å²	30.5	1%	0.014	16%	0.158	C	C	.	.			trans	-84.1	131.9	168.3	66.3	0	0	0	0	108.5	S84 T106 N110 S132 T133	S84-S108 WeakPolarHBondContact O-CA 3.49Å; T106-S108 PolarHBondContact O-N 2.89Å; S108-N110 PolarHBondContact O-N 2.93Å; S108-N110 PolarHBondContact OG-O 3.44Å; S108-S132 WeakPolarHBondContact O-CA 3.47Å; S108-T133 PolarHBondContact O-N 3.08Å
109	T	59.7	Low	65.4	Low	63 Å²	63	31.1 Å²	31.1	39%	0.387	16%	0.164	S	C	.	.	S	Bend	trans	-81.4	14.9	171.9	63.4	0	0	0	0	111.9	S84 T85 T133 N134	S84-T109 PolarHBondContact O-N 2.8Å; T85-T109 VanDerWaalsContact CA-OG1 3.28Å; T85-T109 WeakPolarHBondContact CA-OG1 3.4Å; T85-T109 PolarHBondContact O-OG1 2.87Å; T109-T133 VanDerWaalsContact CA-OG1 3.24Å; T109-T133 WeakPolarHBondContact CA-OG1 3.46Å; T109-T133 PolarHBondContact O-OG1 2.62Å; T109-N134 PolarHBondContact O-ND2 2.96Å
110	N	61.3	Low	64.8	Low	43 Å²	43	30.3 Å²	30.3	23%	0.23	16%	0.159	C	C	.	.	S	Bend	trans	-152	157.1	-167.3	-89.8	-38.4	0	0	0	111.5	T85 N86 P87 S108 N134	T85-N110 VanDerWaalsContact C-ND2 3.31Å; T85-N110 PolarHBondContact O-ND2 2.91Å; N86-N110 VanDerWaalsContact CA-ND2 3.33Å; N86-N110 WeakPolarHBondContact CA-ND2 3.38Å; P87-N110 HydrophobicContact CB-CB 4.35Å; S108-N110 PolarHBondContact O-N 2.93Å; S108-N110 PolarHBondContact OG-O 3.44Å; N110-N134 VanDerWaalsContact C-CB 3.42Å; N110-N134 WeakPolarHBondContact CA-ND2 3.19Å; N110-N134 PolarHBondContact OD1-ND2 2.94Å
111	P	66.8	Low	64.2	Low	18 Å²	18	33.4 Å²	33.4	12%	0.117	18%	0.178	C	C	.	.			trans	-66.2	156.1	-166.4	24.9	-33.1	0	0	0	112.5	P87 I88 E113 N134 P135	P87-P111 VanDerWaalsContact CA-O 3.23Å; P87-P111 WeakPolarHBondContact CA-O 3.14Å; P87-P111 HydrophobicContact CB-CG 4.1Å; P87-P111 WeakPolarHBondContact CB-O 3.07Å; I88-P111 PolarHBondContact N-O 3.49Å; I88-P111 VanDerWaalsContact N-O 3.13Å; P111-E113 HydrophobicContact CB-CG 4.33Å; P111-N134 HydrophobicContact CB-CB 4.3Å; P111-P135 VanDerWaalsContact CA-O 3.23Å; P111-P135 WeakPolarHBondContact CA-O 3.45Å; P111-P135 HydrophobicContact CB-CG 4.14Å; P111-P135 WeakPolarHBondContact CB-O 3.43Å
112	I	72.4	Confident	63.6	Low	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.5	165.4	-62.4	172.6	0	0	0	105.6	V102 V114 V126 P135 E137	V102-I112 HydrophobicContact CG1-CG2 3.89Å; I112-V114 HydrophobicContact CG2-CG2 4.15Å; I112-V126 HydrophobicContact CG2-CG1 3.97Å; I112-P135 PolarHBondContact N-O 2.96Å; I112-P135 VanDerWaalsContact N-O 3.17Å; I112-E137 PolarHBondContact O-N 2.94Å
113	E	72.3	Confident	63.2	Low	59 Å²	59	33.2 Å²	33.2	28%	0.276	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.3	178.9	-66.8	-178.4	-157	0	0	108.7	I88 E89 V90 P111 E137	I88-E113 PolarHBondContact O-N 3Å; E89-E113 WeakPolarHBondContact CA-O 3.42Å; E89-E113 HydrophobicContact CG-CB 4.4Å; V90-E113 PolarHBondContact N-O 3.2Å; P111-E113 HydrophobicContact CB-CG 4.33Å; E113-E137 WeakPolarHBondContact CA-O 2.77Å; E113-E137 HydrophobicContact CG-CB 4.39Å
114	V	74.2	Confident	63.1	Low	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	108.8	173.6	-175.7	0	0	0	0	108.1	I100 V102 I112 I124 V126 E137 T139	I100-V114 HydrophobicContact CG2-CG1 4.05Å; V102-V114 HydrophobicContact CB-CG2 4.25Å; V102-V114 HydrophobicContact CG2-CG2 3.68Å; I112-V114 HydrophobicContact CG2-CG2 4.15Å; V114-I124 HydrophobicContact CG1-CG2 3.84Å; V114-V126 HydrophobicContact CB-CG2 4.24Å; V114-V126 HydrophobicContact CG2-CG2 3.67Å; V114-E137 PolarHBondContact N-O 2.9Å; V114-T139 PolarHBondContact O-N 3.35Å
115	T	73.7	Confident	63.2	Low	19 Å²	19	35.1 Å²	35.1	12%	0.117	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.6	179.2	-55.8	0	0	0	0	111.1	V90 T91 S92 Y117 T139 Y141	V90-T115 PolarHBondContact O-N 3.04Å; T91-T115 WeakPolarHBondContact CA-O 3.34Å; S92-T115 PolarHBondContact N-O 3.12Å; T115-Y117 HydrophobicContact CG2-CD2 3.77Å; T115-Y117 HydrophobicContact CG2-CE1 4.21Å; T115-Y117 HydrophobicContact CG2-CE2 3.22Å; T115-Y117 HydrophobicContact CG2-CG 4.46Å; T115-Y117 VanDerWaalsContact CG2-CZ 3.47Å; T115-T139 WeakPolarHBondContact CA-O 3.19Å; T115-Y141 HydrophobicContact CG2-CD2 3.94Å; T115-Y141 HydrophobicContact CG2-CE2 3.69Å
116	S	67.6	Low	63.6	Low	1 Å²	1	30.9 Å²	30.9	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.2	172	-175.6	0	0	0	0	110.9	T118 T139 Y141	S116-T118 PolarHBondContact OG-O 2.84Å; S116-T118 VanDerWaalsContact OG-O 3.11Å; S116-T139 PolarHBondContact N-O 2.93Å; S116-Y141 PolarHBondContact O-N 3.18Å
117	Y	64.6	Low	64.3	Low	91 Å²	91	30.6 Å²	30.6	36%	0.357	17%	0.169	S	C	.	.			trans	-95.5	-0.7	179.9	-70.2	-82.8	0	0	0	114	T91 S92 Y93 T115 Y141 T142	T91-Y117 HydrophobicContact CG2-CD2 4Å; T91-Y117 HydrophobicContact CG2-CE2 3.77Å; S92-Y117 PolarHBondContact O-N 3.24Å; Y93-Y117 AromaticContact CD1-CD2 3.53Å; Y93-Y117 HydrophobicContact CD1-CD2 3.53Å; Y93-Y117 HydrophobicContact CD1-CE2 4.11Å; Y93-Y117 AromaticContact CD1-CG 3.98Å; Y93-Y117 HydrophobicContact CD1-CG 3.98Å; Y93-Y117 AromaticContact CE1-CD2 3.45Å; Y93-Y117 HydrophobicContact CE1-CD2 3.45Å; Y93-Y117 VanDerWaalsContact CE1-CD2 3.45Å; Y93-Y117 AromaticContact CE1-CE2 3.51Å; Y93-Y117 HydrophobicContact CE1-CE2 3.51Å; Y93-Y117 HydrophobicContact CE1-CG 4.13Å; Y93-Y117 HydrophobicContact CG-CD2 4.36Å; T115-Y117 HydrophobicContact CG2-CD2 3.77Å; T115-Y117 HydrophobicContact CG2-CE1 4.21Å; T115-Y117 HydrophobicContact CG2-CE2 3.22Å; T115-Y117 HydrophobicContact CG2-CG 4.46Å; T115-Y117 VanDerWaalsContact CG2-CZ 3.47Å; Y117-Y141 AromaticContact CD1-CD2 3.57Å; Y117-Y141 HydrophobicContact CD1-CD2 3.57Å; Y117-Y141 HydrophobicContact CD1-CE2 4.12Å; Y117-Y141 HydrophobicContact CD1-CG 4.04Å; Y117-Y141 AromaticContact CE1-CD2 3.52Å; Y117-Y141 HydrophobicContact CE1-CD2 3.52Å; Y117-Y141 AromaticContact CE1-CE2 3.55Å; Y117-Y141 HydrophobicContact CE1-CE2 3.55Å; Y117-Y141 HydrophobicContact CE1-CG 4.22Å; Y117-Y141 HydrophobicContact CG-CD2 4.29Å; Y117-Y141 AromaticContact CZ-CE2 3.96Å; Y117-T142 VanDerWaalsContact C-OG1 3.26Å; Y117-T142 WeakPolarHBondContact O-CG2 3.37Å
118	T	56.7	Low	65.1	Low	27 Å²	27	28 Å²	28	17%	0.166	15%	0.152	C	C	.	.	S	Bend	trans	-146.7	150.5	-175.1	42.7	0	0	0	0	113	Y93 T94 P95 S116 S120 T142	Y93-T118 VanDerWaalsContact O-CG2 3.3Å; Y93-T118 WeakPolarHBondContact O-CG2 3.42Å; T94-T118 WeakPolarHBondContact CA-OG1 2.8Å; T94-T118 PolarHBondContact N-OG1 3.3Å; T94-T118 PolarHBondContact O-OG1 2.95Å; P95-T118 VanDerWaalsContact N-OG1 3.11Å; S116-T118 PolarHBondContact OG-O 2.84Å; S116-T118 VanDerWaalsContact OG-O 3.11Å; T118-S120 PolarHBondContact O-N 2.92Å; T118-T142 WeakPolarHBondContact CA-OG1 3.36Å; T118-T142 PolarHBondContact N-OG1 2.84Å; T118-T142 PolarHBondContact O-OG1 3.43Å
119	P	49.2	Very low	65.6	Low	56 Å²	56	32 Å²	32	36%	0.364	17%	0.168	S	C	.	.			trans	-62.5	113.4	-167.7	22.7	-32.3	0	0	0	110.9	P95 T142 P143	P95-P119 WeakPolarHBondContact CB-O 3.44Å; P119-T142 VanDerWaalsContact N-OG1 3.14Å; P119-P143 WeakPolarHBondContact CA-O 3.47Å; P119-P143 HydrophobicContact CB-CG 4.34Å; P119-P143 WeakPolarHBondContact CB-O 3.18Å
120	S	53.3	Low	65.4	Low	3 Å²	3	30.4 Å²	30.4	2%	0.021	16%	0.158	C	C	.	.			trans	-83.3	133.9	168.7	66.1	0	0	0	0	108.8	S96 T118 N122 S144 T145	S96-S120 WeakPolarHBondContact O-CA 3.44Å; T118-S120 PolarHBondContact O-N 2.92Å; S120-N122 PolarHBondContact O-N 2.89Å; S120-N122 PolarHBondContact OG-O 2.94Å; S120-S144 WeakPolarHBondContact O-CA 3.19Å; S120-T145 PolarHBondContact O-N 2.95Å; S120-T145 VanDerWaalsContact O-N 3.17Å
121	T	59.2	Low	64.9	Low	65 Å²	65	31 Å²	31	40%	0.399	16%	0.164	S	C	.	.	S	Bend	trans	-82.1	14.1	171.4	61.5	0	0	0	0	111.9	S96 T97 T145 N146	S96-T121 PolarHBondContact O-N 2.93Å; T97-T121 VanDerWaalsContact CA-OG1 3.31Å; T97-T121 WeakPolarHBondContact CA-OG1 3.44Å; T97-T121 PolarHBondContact O-OG1 3.45Å; T121-T145 VanDerWaalsContact CA-OG1 3.24Å; T121-T145 WeakPolarHBondContact CA-OG1 2.88Å; T121-T145 PolarHBondContact O-OG1 3.24Å; T121-N146 PolarHBondContact O-ND2 2.97Å
122	N	60.9	Low	64.2	Low	39 Å²	39	30.2 Å²	30.2	21%	0.209	16%	0.159	C	C	.	.	S	Bend	trans	-151	156.6	-167.3	-87.7	-45.3	0	0	0	111.5	T97 N98 P99 S120 N146	T97-N122 VanDerWaalsContact C-ND2 3.28Å; T97-N122 PolarHBondContact O-ND2 2.8Å; N98-N122 VanDerWaalsContact CA-ND2 3.34Å; N98-N122 WeakPolarHBondContact CA-ND2 3.44Å; P99-N122 HydrophobicContact CB-CB 4.3Å; S120-N122 PolarHBondContact O-N 2.89Å; S120-N122 PolarHBondContact OG-O 2.94Å; N122-N146 VanDerWaalsContact C-CB 3.43Å; N122-N146 WeakPolarHBondContact CA-ND2 3.19Å; N122-N146 PolarHBondContact OD1-ND2 2.94Å
123	P	65.8	Low	63.6	Low	19 Å²	19	33.1 Å²	33.1	12%	0.123	18%	0.177	C	C	.	.			trans	-65.9	155.6	-167.1	25.2	-33.5	0	0	0	112.4	P99 I100 E125 N146 P147	P99-P123 VanDerWaalsContact CA-O 3.27Å; P99-P123 WeakPolarHBondContact CA-O 3.22Å; P99-P123 HydrophobicContact CB-CG 4.12Å; P99-P123 WeakPolarHBondContact CB-O 3.41Å; I100-P123 PolarHBondContact N-O 2.98Å; I100-P123 VanDerWaalsContact N-O 3.16Å; P123-E125 HydrophobicContact CB-CG 4.29Å; P123-N146 HydrophobicContact CB-CB 4.35Å; P123-P147 WeakPolarHBondContact CA-O 3.29Å; P123-P147 HydrophobicContact CB-CG 4.15Å; P123-P147 VanDerWaalsContact CB-O 3.29Å; P123-P147 WeakPolarHBondContact CB-O 2.78Å
124	I	71.8	Confident	63	Low	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.8	164.5	-61.6	174.4	0	0	0	105.6	V114 V126 V138 P147 E149	V114-I124 HydrophobicContact CG1-CG2 3.84Å; I124-V126 HydrophobicContact CG2-CG2 4.16Å; I124-V138 HydrophobicContact CG2-CG1 3.96Å; I124-P147 PolarHBondContact N-O 2.92Å; I124-E149 PolarHBondContact O-N 2.92Å
125	E	71.4	Confident	62.6	Low	59 Å²	59	33.3 Å²	33.3	28%	0.276	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.3	179.1	-66.7	-178.2	-157.8	0	0	108.7	I100 E101 V102 P123 E149	I100-E125 PolarHBondContact O-N 2.77Å; E101-E125 HydrophobicContact CG-CB 4.39Å; V102-E125 PolarHBondContact N-O 3.31Å; P123-E125 HydrophobicContact CB-CG 4.29Å; E125-E149 HydrophobicContact CG-CB 4.39Å
126	V	73	Confident	62.5	Low	1 Å²	1	32.4 Å²	32.4	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	109.3	173.3	-175.5	0	0	0	0	108.2	I112 V114 I124 I136 V138 E149 T151	I112-V126 HydrophobicContact CG2-CG1 3.97Å; V114-V126 HydrophobicContact CB-CG2 4.24Å; V114-V126 HydrophobicContact CG2-CG2 3.67Å; I124-V126 HydrophobicContact CG2-CG2 4.16Å; V126-I136 HydrophobicContact CG1-CG2 3.83Å; V126-V138 HydrophobicContact CB-CG2 4.24Å; V126-V138 HydrophobicContact CG2-CG2 3.66Å; V126-E149 PolarHBondContact N-O 3.47Å; V126-T151 PolarHBondContact O-N 2.9Å
127	T	73	Confident	62.6	Low	19 Å²	19	35.2 Å²	35.2	12%	0.117	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.6	179.4	-56.5	0	0	0	0	111	V102 T103 S104 Y129 T151 Y153	V102-T127 PolarHBondContact O-N 3.28Å; T103-T127 WeakPolarHBondContact CA-O 3.12Å; S104-T127 PolarHBondContact N-O 2.85Å; T127-Y129 HydrophobicContact CG2-CD2 3.78Å; T127-Y129 HydrophobicContact CG2-CE1 4.19Å; T127-Y129 HydrophobicContact CG2-CE2 3.25Å; T127-Y129 HydrophobicContact CG2-CG 4.44Å; T127-Y129 VanDerWaalsContact CG2-CZ 3.48Å; T127-T151 WeakPolarHBondContact CA-O 3.48Å; T127-Y153 HydrophobicContact CG2-CD2 3.99Å; T127-Y153 HydrophobicContact CG2-CE2 3.72Å
128	S	66.5	Low	63	Low	1 Å²	1	30.9 Å²	30.9	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.6	171.9	-177.2	0	0	0	0	110.9	T130 T151 Y153	S128-T130 PolarHBondContact OG-O 3.34Å; S128-T130 VanDerWaalsContact OG-O 3.08Å; S128-T151 PolarHBondContact N-O 3.09Å; S128-Y153 PolarHBondContact O-N 2.96Å
129	Y	63.9	Low	63.7	Low	88 Å²	88	30.5 Å²	30.5	35%	0.345	17%	0.169	S	C	.	.			trans	-93.9	-2.2	-179.9	-70.6	-81.8	0	0	0	114	T103 S104 Y105 T127 Y153 T154	T103-Y129 HydrophobicContact CG2-CD2 3.95Å; T103-Y129 HydrophobicContact CG2-CE2 3.7Å; S104-Y129 PolarHBondContact O-N 2.92Å; Y105-Y129 AromaticContact CD1-CD2 3.63Å; Y105-Y129 HydrophobicContact CD1-CD2 3.63Å; Y105-Y129 HydrophobicContact CD1-CE2 4.17Å; Y105-Y129 HydrophobicContact CD1-CG 4.1Å; Y105-Y129 AromaticContact CE1-CD2 3.58Å; Y105-Y129 HydrophobicContact CE1-CD2 3.58Å; Y105-Y129 AromaticContact CE1-CE2 3.61Å; Y105-Y129 HydrophobicContact CE1-CE2 3.61Å; Y105-Y129 HydrophobicContact CE1-CG 4.27Å; Y105-Y129 HydrophobicContact CG-CD2 4.33Å; T127-Y129 HydrophobicContact CG2-CD2 3.78Å; T127-Y129 HydrophobicContact CG2-CE1 4.19Å; T127-Y129 HydrophobicContact CG2-CE2 3.25Å; T127-Y129 HydrophobicContact CG2-CG 4.44Å; T127-Y129 VanDerWaalsContact CG2-CZ 3.48Å; Y129-Y153 AromaticContact CD1-CD2 3.57Å; Y129-Y153 HydrophobicContact CD1-CD2 3.57Å; Y129-Y153 HydrophobicContact CD1-CE2 4.08Å; Y129-Y153 HydrophobicContact CD1-CG 4.05Å; Y129-Y153 AromaticContact CE1-CD2 3.55Å; Y129-Y153 HydrophobicContact CE1-CD2 3.55Å; Y129-Y153 AromaticContact CE1-CE2 3.55Å; Y129-Y153 HydrophobicContact CE1-CE2 3.55Å; Y129-Y153 HydrophobicContact CE1-CG 4.25Å; Y129-Y153 HydrophobicContact CG-CD2 4.29Å; Y129-T154 VanDerWaalsContact C-OG1 3.27Å; Y129-T154 WeakPolarHBondContact O-CG2 3.36Å; Y129-T154 PolarHBondContact O-OG1 3.08Å
130	T	56.5	Low	64.5	Low	28 Å²	28	27.9 Å²	27.9	17%	0.172	15%	0.152	C	C	.	.	S	Bend	trans	-147.1	155.7	-175.7	44.4	0	0	0	0	113	Y105 T106 S128 S132 T154	Y105-T130 WeakPolarHBondContact O-CG2 3.25Å; T106-T130 WeakPolarHBondContact CA-OG1 3.48Å; T106-T130 PolarHBondContact N-OG1 3.46Å; T106-T130 PolarHBondContact O-OG1 2.9Å; S128-T130 PolarHBondContact OG-O 3.34Å; S128-T130 VanDerWaalsContact OG-O 3.08Å; T130-S132 PolarHBondContact O-N 3.28Å; T130-S132 VanDerWaalsContact O-N 3.07Å; T130-T154 WeakPolarHBondContact CA-OG1 3.09Å; T130-T154 PolarHBondContact N-OG1 3.11Å; T130-T154 PolarHBondContact O-OG1 2.85Å
131	P	49.2	Very low	65.1	Low	55 Å²	55	32 Å²	32	36%	0.357	17%	0.168	S	C	.	.			trans	-58.6	113.5	-169.6	-20.1	29.5	0	0	0	111.5	P107 P155	P107-P131 WeakPolarHBondContact CA-O 3.19Å; P107-P131 WeakPolarHBondContact CB-O 3.34Å; P131-P155 WeakPolarHBondContact CB-O 3.25Å
132	S	53.1	Low	64.9	Low	2 Å²	2	30.3 Å²	30.3	1%	0.014	16%	0.158	C	C	.	.			trans	-84.2	132.3	165.3	66.8	0	0	0	0	108.6	S108 T130 N134 S156 T157	S108-S132 WeakPolarHBondContact O-CA 3.47Å; T130-S132 PolarHBondContact O-N 3.28Å; T130-S132 VanDerWaalsContact O-N 3.07Å; S132-N134 WeakPolarHBondContact CB-O 3.14Å; S132-N134 PolarHBondContact O-N 3.01Å; S132-N134 PolarHBondContact OG-O 2.93Å; S132-S156 WeakPolarHBondContact O-CA 3.47Å; S132-T157 PolarHBondContact O-N 2.85Å
133	T	59.2	Low	64.3	Low	63 Å²	63	31 Å²	31	39%	0.387	16%	0.164	S	C	.	.	S	Bend	trans	-83.5	16.7	171.6	64.8	0	0	0	0	111.8	S108 T109 T157 N158	S108-T133 PolarHBondContact O-N 3.08Å; T109-T133 VanDerWaalsContact CA-OG1 3.24Å; T109-T133 WeakPolarHBondContact CA-OG1 3.46Å; T109-T133 PolarHBondContact O-OG1 2.62Å; T133-T157 VanDerWaalsContact CA-OG1 3.3Å; T133-T157 WeakPolarHBondContact CA-OG1 3.16Å; T133-N158 VanDerWaalsContact C-ND2 3.28Å; T133-N158 PolarHBondContact O-ND2 3.02Å
134	N	60.2	Low	63.7	Low	43 Å²	43	30.2 Å²	30.2	23%	0.23	16%	0.159	C	C	.	.	S	Bend	trans	-153.6	157	-169.4	-89.8	-40.9	0	0	0	111	T109 N110 P111 S132 N158	T109-N134 PolarHBondContact O-ND2 2.96Å; N110-N134 VanDerWaalsContact C-CB 3.42Å; N110-N134 WeakPolarHBondContact CA-ND2 3.19Å; N110-N134 PolarHBondContact OD1-ND2 2.94Å; P111-N134 HydrophobicContact CB-CB 4.3Å; S132-N134 WeakPolarHBondContact CB-O 3.14Å; S132-N134 PolarHBondContact O-N 3.01Å; S132-N134 PolarHBondContact OG-O 2.93Å; N134-N158 VanDerWaalsContact C-CB 3.44Å; N134-N158 VanDerWaalsContact CA-ND2 3.34Å; N134-N158 WeakPolarHBondContact CA-ND2 3.13Å; N134-N158 PolarHBondContact OD1-ND2 3.16Å
135	P	65.2	Low	63.1	Low	19 Å²	19	33.2 Å²	33.2	12%	0.123	18%	0.177	C	C	.	.			trans	-65.7	155.9	-167.2	25.1	-33.5	0	0	0	112.6	P111 I112 E137 N158 P159	P111-P135 VanDerWaalsContact CA-O 3.23Å; P111-P135 WeakPolarHBondContact CA-O 3.45Å; P111-P135 HydrophobicContact CB-CG 4.14Å; P111-P135 WeakPolarHBondContact CB-O 3.43Å; I112-P135 PolarHBondContact N-O 2.96Å; I112-P135 VanDerWaalsContact N-O 3.17Å; P135-E137 HydrophobicContact CB-CG 4.29Å; P135-N158 HydrophobicContact CB-CB 4.4Å; P135-P159 VanDerWaalsContact CA-O 3.23Å; P135-P159 WeakPolarHBondContact CA-O 3.37Å; P135-P159 HydrophobicContact CB-CG 4.12Å; P135-P159 WeakPolarHBondContact CB-O 3.21Å
136	I	71.3	Confident	62.5	Low	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.9	164.9	-61.7	174.4	0	0	0	105.5	V126 V138 V150 P159 E161	V126-I136 HydrophobicContact CG1-CG2 3.83Å; I136-V138 HydrophobicContact CG2-CG2 4.16Å; I136-V150 HydrophobicContact CG2-CG1 3.97Å; I136-P159 PolarHBondContact N-O 2.93Å; I136-E161 PolarHBondContact O-N 2.93Å
137	E	70.8	Confident	62.1	Low	60 Å²	60	33.2 Å²	33.2	28%	0.28	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.8	179.3	-66.5	-178	-157.2	0	0	108.7	I112 E113 V114 P135 E161	I112-E137 PolarHBondContact O-N 2.94Å; E113-E137 WeakPolarHBondContact CA-O 2.77Å; E113-E137 HydrophobicContact CG-CB 4.39Å; V114-E137 PolarHBondContact N-O 2.9Å; P135-E137 HydrophobicContact CB-CG 4.29Å; E137-E161 HydrophobicContact CG-CB 4.4Å
138	V	72.4	Confident	62	Low	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	108.6	173.4	-175.6	0	0	0	0	108.1	I124 V126 I136 I148 V150 E161 T163	I124-V138 HydrophobicContact CG2-CG1 3.96Å; V126-V138 HydrophobicContact CB-CG2 4.24Å; V126-V138 HydrophobicContact CG2-CG2 3.66Å; I136-V138 HydrophobicContact CG2-CG2 4.16Å; V138-I148 HydrophobicContact CG1-CG2 3.8Å; V138-V150 HydrophobicContact CB-CG2 4.26Å; V138-V150 HydrophobicContact CG2-CG2 3.67Å; V138-E161 PolarHBondContact N-O 3.49Å; V138-T163 PolarHBondContact O-N 2.95Å
139	T	72.7	Confident	62.2	Low	19 Å²	19	35.1 Å²	35.1	12%	0.117	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.3	179.3	-57.3	0	0	0	0	111.1	V114 T115 S116 Y141 T163 Y165	V114-T139 PolarHBondContact O-N 3.35Å; T115-T139 WeakPolarHBondContact CA-O 3.19Å; S116-T139 PolarHBondContact N-O 2.93Å; T139-Y141 HydrophobicContact CG2-CD2 3.77Å; T139-Y141 HydrophobicContact CG2-CE1 4.16Å; T139-Y141 HydrophobicContact CG2-CE2 3.25Å; T139-Y141 HydrophobicContact CG2-CG 4.42Å; T139-Y141 VanDerWaalsContact CG2-CZ 3.47Å; T139-T163 WeakPolarHBondContact CA-O 3.47Å; T139-Y165 HydrophobicContact CG2-CD2 4Å; T139-Y165 HydrophobicContact CG2-CE2 3.72Å
140	S	66.1	Low	62.6	Low	1 Å²	1	31 Å²	31	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.1	172	-176.2	0	0	0	0	110.9	T142 T163 Y165	S140-T142 PolarHBondContact OG-O 3.4Å; S140-T142 VanDerWaalsContact OG-O 3.05Å; S140-T163 PolarHBondContact N-O 3.47Å; S140-Y165 PolarHBondContact O-N 3.45Å
141	Y	64.4	Low	63.3	Low	90 Å²	90	30.5 Å²	30.5	35%	0.353	17%	0.169	S	C	.	.			trans	-91.9	-2.7	-179.6	-70.7	-81.5	0	0	0	114.1	T115 S116 Y117 T139 Y165 T166	T115-Y141 HydrophobicContact CG2-CD2 3.94Å; T115-Y141 HydrophobicContact CG2-CE2 3.69Å; S116-Y141 PolarHBondContact O-N 3.18Å; Y117-Y141 AromaticContact CD1-CD2 3.57Å; Y117-Y141 HydrophobicContact CD1-CD2 3.57Å; Y117-Y141 HydrophobicContact CD1-CE2 4.12Å; Y117-Y141 HydrophobicContact CD1-CG 4.04Å; Y117-Y141 AromaticContact CE1-CD2 3.52Å; Y117-Y141 HydrophobicContact CE1-CD2 3.52Å; Y117-Y141 AromaticContact CE1-CE2 3.55Å; Y117-Y141 HydrophobicContact CE1-CE2 3.55Å; Y117-Y141 HydrophobicContact CE1-CG 4.22Å; Y117-Y141 HydrophobicContact CG-CD2 4.29Å; Y117-Y141 AromaticContact CZ-CE2 3.96Å; T139-Y141 HydrophobicContact CG2-CD2 3.77Å; T139-Y141 HydrophobicContact CG2-CE1 4.16Å; T139-Y141 HydrophobicContact CG2-CE2 3.25Å; T139-Y141 HydrophobicContact CG2-CG 4.42Å; T139-Y141 VanDerWaalsContact CG2-CZ 3.47Å; Y141-Y165 AromaticContact CD1-CD2 3.55Å; Y141-Y165 HydrophobicContact CD1-CD2 3.55Å; Y141-Y165 HydrophobicContact CD1-CE2 4.04Å; Y141-Y165 HydrophobicContact CD1-CG 4.06Å; Y141-Y165 AromaticContact CE1-CD2 3.57Å; Y141-Y165 HydrophobicContact CE1-CD2 3.57Å; Y141-Y165 AromaticContact CE1-CE2 3.53Å; Y141-Y165 HydrophobicContact CE1-CE2 3.53Å; Y141-Y165 HydrophobicContact CE1-CG 4.3Å; Y141-Y165 HydrophobicContact CG-CD2 4.28Å; Y141-T166 PolarHBondContact O-OG1 2.96Å
142	T	55.9	Low	64	Low	29 Å²	29	28 Å²	28	18%	0.178	15%	0.152	C	C	.	.	S	Bend	trans	-148.1	150.8	-173.4	41.1	0	0	0	0	112.2	Y117 T118 P119 S140 S144 T166	Y117-T142 VanDerWaalsContact C-OG1 3.26Å; Y117-T142 WeakPolarHBondContact O-CG2 3.37Å; T118-T142 WeakPolarHBondContact CA-OG1 3.36Å; T118-T142 PolarHBondContact N-OG1 2.84Å; T118-T142 PolarHBondContact O-OG1 3.43Å; P119-T142 VanDerWaalsContact N-OG1 3.14Å; S140-T142 PolarHBondContact OG-O 3.4Å; S140-T142 VanDerWaalsContact OG-O 3.05Å; T142-S144 PolarHBondContact O-N 2.62Å; T142-S144 VanDerWaalsContact O-N 3.12Å; T142-T166 WeakPolarHBondContact CA-OG1 2.99Å; T142-T166 PolarHBondContact N-OG1 3.1Å; T142-T166 PolarHBondContact O-OG1 3.4Å
143	P	48.4	Very low	64.5	Low	53 Å²	53	32.1 Å²	32.1	34%	0.344	17%	0.168	S	C	.	.			trans	-63.7	115.2	-166.1	24.6	-33.7	0	0	0	111.3	P119 T166 P167	P119-P143 WeakPolarHBondContact CA-O 3.47Å; P119-P143 HydrophobicContact CB-CG 4.34Å; P119-P143 WeakPolarHBondContact CB-O 3.18Å; P143-T166 VanDerWaalsContact N-OG1 3.13Å; P143-P167 HydrophobicContact CB-CG 4.35Å; P143-P167 WeakPolarHBondContact CB-O 3.22Å
144	S	52.6	Low	64.3	Low	2 Å²	2	30.4 Å²	30.4	1%	0.014	16%	0.158	C	C	.	.			trans	-82	134.9	168.1	65.9	0	0	0	0	109.1	S120 T142 N146 S168 T169	S120-S144 WeakPolarHBondContact O-CA 3.19Å; T142-S144 PolarHBondContact O-N 2.62Å; T142-S144 VanDerWaalsContact O-N 3.12Å; S144-N146 WeakPolarHBondContact CB-O 3.4Å; S144-N146 PolarHBondContact O-N 2.87Å; S144-N146 PolarHBondContact OG-O 3.27Å; S144-S168 WeakPolarHBondContact O-CA 3.15Å; S144-T169 PolarHBondContact O-N 2.96Å
145	T	59	Low	63.8	Low	64 Å²	64	30.9 Å²	30.9	39%	0.393	16%	0.163	S	C	.	.	S	Bend	trans	-83.4	14.8	171.6	64.9	0	0	0	0	112.1	S120 T121 T169 N170	S120-T145 PolarHBondContact O-N 2.95Å; S120-T145 VanDerWaalsContact O-N 3.17Å; T121-T145 VanDerWaalsContact CA-OG1 3.24Å; T121-T145 WeakPolarHBondContact CA-OG1 2.88Å; T121-T145 PolarHBondContact O-OG1 3.24Å; T145-T169 VanDerWaalsContact CA-OG1 3.26Å; T145-T169 WeakPolarHBondContact CA-OG1 3.18Å; T145-T169 PolarHBondContact O-OG1 2.97Å; T145-N170 PolarHBondContact O-ND2 2.94Å
146	N	59.6	Low	63.1	Low	41 Å²	41	30.1 Å²	30.1	22%	0.219	16%	0.158	C	C	.	.	S	Bend	trans	-151.5	157	-169.2	-90.6	-36.8	0	0	0	111.2	T121 N122 P123 S144 N170	T121-N146 PolarHBondContact O-ND2 2.97Å; N122-N146 VanDerWaalsContact C-CB 3.43Å; N122-N146 WeakPolarHBondContact CA-ND2 3.19Å; N122-N146 PolarHBondContact OD1-ND2 2.94Å; P123-N146 HydrophobicContact CB-CB 4.35Å; S144-N146 WeakPolarHBondContact CB-O 3.4Å; S144-N146 PolarHBondContact O-N 2.87Å; S144-N146 PolarHBondContact OG-O 3.27Å; N146-N170 VanDerWaalsContact C-CB 3.45Å; N146-N170 WeakPolarHBondContact CA-ND2 3.11Å; N146-N170 PolarHBondContact OD1-ND2 2.91Å
147	P	64.8	Low	62.5	Low	19 Å²	19	33.1 Å²	33.1	12%	0.123	18%	0.177	C	C	.	.			trans	-65.7	155.6	-166.7	25.1	-33.2	0	0	0	112.5	P123 I124 E149 N170 P171	P123-P147 WeakPolarHBondContact CA-O 3.29Å; P123-P147 HydrophobicContact CB-CG 4.15Å; P123-P147 VanDerWaalsContact CB-O 3.29Å; P123-P147 WeakPolarHBondContact CB-O 2.78Å; I124-P147 PolarHBondContact N-O 2.92Å; P147-E149 HydrophobicContact CB-CG 4.29Å; P147-N170 HydrophobicContact CB-CB 4.39Å; P147-P171 WeakPolarHBondContact CA-O 3.46Å; P147-P171 HydrophobicContact CB-CG 4.14Å; P147-P171 VanDerWaalsContact CB-O 3.26Å; P147-P171 WeakPolarHBondContact CB-O 3.47Å
148	I	70.9	Confident	61.9	Low	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.4	164.9	-60.6	175.3	0	0	0	105.5	V138 V150 V162 P171 E173	V138-I148 HydrophobicContact CG1-CG2 3.8Å; I148-V150 HydrophobicContact CG2-CG2 4.19Å; I148-V162 HydrophobicContact CG2-CG1 3.99Å; I148-P171 PolarHBondContact N-O 3.23Å; I148-E173 PolarHBondContact O-N 2.65Å
149	E	69.9	Low	61.5	Low	60 Å²	60	33.1 Å²	33.1	28%	0.28	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.6	179.5	-66	-177.6	-158.5	0	0	108.7	I124 E125 V126 P147 E173	I124-E149 PolarHBondContact O-N 2.92Å; E125-E149 HydrophobicContact CG-CB 4.39Å; V126-E149 PolarHBondContact N-O 3.47Å; P147-E149 HydrophobicContact CB-CG 4.29Å; E149-E173 HydrophobicContact CG-CB 4.4Å
150	V	71.5	Confident	61.4	Low	1 Å²	1	32.2 Å²	32.2	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	109.2	173	-175.7	0	0	0	0	108.2	I136 V138 I148 I160 V162 E173 T175	I136-V150 HydrophobicContact CG2-CG1 3.97Å; V138-V150 HydrophobicContact CB-CG2 4.26Å; V138-V150 HydrophobicContact CG2-CG2 3.67Å; I148-V150 HydrophobicContact CG2-CG2 4.19Å; V150-I160 HydrophobicContact CG1-CG2 3.78Å; V150-V162 HydrophobicContact CB-CG2 4.26Å; V150-V162 HydrophobicContact CG2-CG2 3.66Å; V150-E173 PolarHBondContact N-O 3.23Å; V150-T175 PolarHBondContact O-N 2.94Å
151	T	71.4	Confident	61.6	Low	18 Å²	18	35 Å²	35	11%	0.11	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121.2	179.6	-57.1	0	0	0	0	111.1	V126 T127 S128 Y153 T175 Y177	V126-T151 PolarHBondContact O-N 2.9Å; T127-T151 WeakPolarHBondContact CA-O 3.48Å; S128-T151 PolarHBondContact N-O 3.09Å; T151-Y153 HydrophobicContact CG2-CD2 3.8Å; T151-Y153 HydrophobicContact CG2-CE1 4.19Å; T151-Y153 HydrophobicContact CG2-CE2 3.27Å; T151-Y153 HydrophobicContact CG2-CG 4.45Å; T151-Y153 VanDerWaalsContact CG2-CZ 3.49Å; T151-T175 WeakPolarHBondContact CA-O 3.47Å; T151-Y177 HydrophobicContact CG2-CD2 4.01Å; T151-Y177 HydrophobicContact CG2-CE2 3.71Å
152	S	65.3	Low	61.9	Low	1 Å²	1	30.8 Å²	30.8	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.3	172	-177.3	0	0	0	0	111	T154 T175 Y177	S152-T154 PolarHBondContact OG-O 3.18Å; S152-T154 VanDerWaalsContact OG-O 3.07Å; S152-T175 PolarHBondContact N-O 2.92Å; S152-Y177 PolarHBondContact O-N 3.35Å
153	Y	63.3	Low	62.6	Low	89 Å²	89	30.3 Å²	30.3	35%	0.349	17%	0.168	S	C	.	.			trans	-92.3	-2.2	-179.2	-70.8	-82.2	0	0	0	114.2	T127 S128 Y129 T151 Y177 T178	T127-Y153 HydrophobicContact CG2-CD2 3.99Å; T127-Y153 HydrophobicContact CG2-CE2 3.72Å; S128-Y153 PolarHBondContact O-N 2.96Å; Y129-Y153 AromaticContact CD1-CD2 3.57Å; Y129-Y153 HydrophobicContact CD1-CD2 3.57Å; Y129-Y153 HydrophobicContact CD1-CE2 4.08Å; Y129-Y153 HydrophobicContact CD1-CG 4.05Å; Y129-Y153 AromaticContact CE1-CD2 3.55Å; Y129-Y153 HydrophobicContact CE1-CD2 3.55Å; Y129-Y153 AromaticContact CE1-CE2 3.55Å; Y129-Y153 HydrophobicContact CE1-CE2 3.55Å; Y129-Y153 HydrophobicContact CE1-CG 4.25Å; Y129-Y153 HydrophobicContact CG-CD2 4.29Å; T151-Y153 HydrophobicContact CG2-CD2 3.8Å; T151-Y153 HydrophobicContact CG2-CE1 4.19Å; T151-Y153 HydrophobicContact CG2-CE2 3.27Å; T151-Y153 HydrophobicContact CG2-CG 4.45Å; T151-Y153 VanDerWaalsContact CG2-CZ 3.49Å; Y153-Y177 AromaticContact CD1-CD2 3.56Å; Y153-Y177 HydrophobicContact CD1-CD2 3.56Å; Y153-Y177 HydrophobicContact CD1-CE2 4.05Å; Y153-Y177 HydrophobicContact CD1-CG 4.08Å; Y153-Y177 AromaticContact CE1-CD2 3.59Å; Y153-Y177 HydrophobicContact CE1-CD2 3.59Å; Y153-Y177 AromaticContact CE1-CE2 3.55Å; Y153-Y177 HydrophobicContact CE1-CE2 3.55Å; Y153-Y177 HydrophobicContact CE1-CG 4.33Å; Y153-Y177 HydrophobicContact CG-CD2 4.28Å; Y153-T178 WeakPolarHBondContact O-CG2 3.3Å
154	T	55.3	Low	63.4	Low	28 Å²	28	27.8 Å²	27.8	17%	0.172	15%	0.152	C	C	.	.	S	Bend	trans	-151.2	150.1	-172.5	40.1	0	0	0	0	112.1	Y129 T130 S152 S156 T178	Y129-T154 VanDerWaalsContact C-OG1 3.27Å; Y129-T154 WeakPolarHBondContact O-CG2 3.36Å; Y129-T154 PolarHBondContact O-OG1 3.08Å; T130-T154 WeakPolarHBondContact CA-OG1 3.09Å; T130-T154 PolarHBondContact N-OG1 3.11Å; T130-T154 PolarHBondContact O-OG1 2.85Å; S152-T154 PolarHBondContact OG-O 3.18Å; S152-T154 VanDerWaalsContact OG-O 3.07Å; T154-S156 PolarHBondContact O-N 3.08Å; T154-S156 VanDerWaalsContact O-N 3.08Å; T154-T178 WeakPolarHBondContact CA-OG1 3.37Å; T154-T178 PolarHBondContact N-OG1 3.47Å; T154-T178 PolarHBondContact O-OG1 3.15Å
155	P	48.1	Very low	63.9	Low	52 Å²	52	32 Å²	32	34%	0.338	17%	0.168	S	C	.	.			trans	-63.7	113.9	-163.5	23	-32.9	0	0	0	111	P131 P179	P131-P155 WeakPolarHBondContact CB-O 3.25Å; P155-P179 HydrophobicContact CB-CG 4.45Å; P155-P179 WeakPolarHBondContact CB-O 2.96Å
156	S	52.1	Low	63.8	Low	3 Å²	3	30.5 Å²	30.5	2%	0.021	16%	0.158	C	C	.	.			trans	-79.8	133.6	168.4	65.1	0	0	0	0	108.7	S132 T154 N158 S180 T181	S132-S156 WeakPolarHBondContact O-CA 3.47Å; T154-S156 PolarHBondContact O-N 3.08Å; T154-S156 VanDerWaalsContact O-N 3.08Å; S156-N158 WeakPolarHBondContact CB-O 3.44Å; S156-N158 PolarHBondContact O-N 3.49Å; S156-N158 PolarHBondContact OG-O 3.29Å; S156-S180 WeakPolarHBondContact O-CA 3.42Å; S156-T181 PolarHBondContact O-N 2.83Å
157	T	58	Low	63.2	Low	64 Å²	64	31 Å²	31	39%	0.393	16%	0.164	S	C	.	.	S	Bend	trans	-82.9	17.4	171.6	64.8	0	0	0	0	111.7	S132 T133 T181 N182	S132-T157 PolarHBondContact O-N 2.85Å; T133-T157 VanDerWaalsContact CA-OG1 3.3Å; T133-T157 WeakPolarHBondContact CA-OG1 3.16Å; T157-T181 VanDerWaalsContact CA-OG1 3.28Å; T157-T181 WeakPolarHBondContact CA-OG1 3.31Å; T157-T181 PolarHBondContact O-OG1 3.22Å; T157-N182 VanDerWaalsContact C-ND2 3.28Å; T157-N182 PolarHBondContact O-ND2 3.36Å
158	N	59.1	Low	62.6	Low	41 Å²	41	30.2 Å²	30.2	22%	0.219	16%	0.159	C	C	.	.	S	Bend	trans	-154	157.4	-169.3	-89.3	-39.7	0	0	0	111.3	T133 N134 P135 S156 N182	T133-N158 VanDerWaalsContact C-ND2 3.28Å; T133-N158 PolarHBondContact O-ND2 3.02Å; N134-N158 VanDerWaalsContact C-CB 3.44Å; N134-N158 VanDerWaalsContact CA-ND2 3.34Å; N134-N158 WeakPolarHBondContact CA-ND2 3.13Å; N134-N158 PolarHBondContact OD1-ND2 3.16Å; P135-N158 HydrophobicContact CB-CB 4.4Å; S156-N158 WeakPolarHBondContact CB-O 3.44Å; S156-N158 PolarHBondContact O-N 3.49Å; S156-N158 PolarHBondContact OG-O 3.29Å; N158-N182 VanDerWaalsContact C-CB 3.43Å; N158-N182 WeakPolarHBondContact CA-ND2 3.29Å; N158-N182 PolarHBondContact OD1-ND2 3.28Å
159	P	64.2	Low	62	Low	19 Å²	19	33.1 Å²	33.1	12%	0.123	18%	0.177	C	C	.	.			trans	-66.2	156.2	-167.3	25.3	-33.1	0	0	0	112.5	P135 I136 E161 N182 P183	P135-P159 VanDerWaalsContact CA-O 3.23Å; P135-P159 WeakPolarHBondContact CA-O 3.37Å; P135-P159 HydrophobicContact CB-CG 4.12Å; P135-P159 WeakPolarHBondContact CB-O 3.21Å; I136-P159 PolarHBondContact N-O 2.93Å; P159-E161 HydrophobicContact CB-CG 4.31Å; P159-N182 HydrophobicContact CB-CB 4.38Å; P159-P183 WeakPolarHBondContact CA-O 2.99Å; P159-P183 HydrophobicContact CB-CG 4.13Å; P159-P183 VanDerWaalsContact CB-O 3.27Å; P159-P183 WeakPolarHBondContact CB-O 3.24Å
160	I	70	Confident	61.5	Low	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.4	165.5	-59.3	177.8	0	0	0	105.5	V150 V162 V174 P183 E185	V150-I160 HydrophobicContact CG1-CG2 3.78Å; I160-V162 HydrophobicContact CG2-CG2 4.21Å; I160-V174 HydrophobicContact CG2-CG1 3.98Å; I160-P183 PolarHBondContact N-O 2.95Å; I160-E185 PolarHBondContact O-N 2.95Å
161	E	69	Low	61.1	Low	60 Å²	60	33.1 Å²	33.1	28%	0.28	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.1	179.9	-66.3	-177.6	-158	0	0	108.7	I136 E137 V138 P159 E185	I136-E161 PolarHBondContact O-N 2.93Å; E137-E161 HydrophobicContact CG-CB 4.4Å; V138-E161 PolarHBondContact N-O 3.49Å; P159-E161 HydrophobicContact CB-CG 4.31Å; E161-E185 WeakPolarHBondContact CA-O 3.41Å; E161-E185 HydrophobicContact CG-CB 4.39Å
162	V	71.4	Confident	61.1	Low	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	108.8	173	-175.9	0	0	0	0	108.1	I148 V150 I160 I172 V174 E185 T187	I148-V162 HydrophobicContact CG2-CG1 3.99Å; V150-V162 HydrophobicContact CB-CG2 4.26Å; V150-V162 HydrophobicContact CG2-CG2 3.66Å; I160-V162 HydrophobicContact CG2-CG2 4.21Å; V162-I172 HydrophobicContact CG1-CG2 3.83Å; V162-V174 HydrophobicContact CB-CG2 4.28Å; V162-V174 HydrophobicContact CG2-CG2 3.66Å; V162-E185 PolarHBondContact N-O 3.25Å; V162-T187 PolarHBondContact O-N 2.99Å
163	T	71.3	Confident	61.2	Low	19 Å²	19	35.1 Å²	35.1	12%	0.117	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.4	179.4	-57.8	0	0	0	0	111	V138 T139 S140 Y165 T187 Y189	V138-T163 PolarHBondContact O-N 2.95Å; T139-T163 WeakPolarHBondContact CA-O 3.47Å; S140-T163 PolarHBondContact N-O 3.47Å; T163-Y165 HydrophobicContact CG2-CD2 3.79Å; T163-Y165 HydrophobicContact CG2-CE1 4.2Å; T163-Y165 HydrophobicContact CG2-CE2 3.27Å; T163-Y165 HydrophobicContact CG2-CG 4.45Å; T163-Y165 VanDerWaalsContact CG2-CZ 3.5Å; T163-T187 WeakPolarHBondContact CA-O 2.75Å; T163-Y189 HydrophobicContact CG2-CD2 4.03Å; T163-Y189 HydrophobicContact CG2-CE2 3.72Å
164	S	65.2	Low	61.6	Low	1 Å²	1	31 Å²	31	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.9	172.5	-175.3	0	0	0	0	111.1	T166 T187 Y189	S164-T166 PolarHBondContact OG-O 2.94Å; S164-T166 VanDerWaalsContact OG-O 3.08Å; S164-T187 PolarHBondContact N-O 2.98Å; S164-Y189 PolarHBondContact O-N 3.05Å
165	Y	63.5	Low	62.3	Low	90 Å²	90	30.4 Å²	30.4	35%	0.353	17%	0.168	S	C	.	.			trans	-92.7	-3.7	-178.5	-70.8	-82.2	0	0	0	114.3	T139 S140 Y141 T163 Y189 T190	T139-Y165 HydrophobicContact CG2-CD2 4Å; T139-Y165 HydrophobicContact CG2-CE2 3.72Å; S140-Y165 PolarHBondContact O-N 3.45Å; Y141-Y165 AromaticContact CD1-CD2 3.55Å; Y141-Y165 HydrophobicContact CD1-CD2 3.55Å; Y141-Y165 HydrophobicContact CD1-CE2 4.04Å; Y141-Y165 HydrophobicContact CD1-CG 4.06Å; Y141-Y165 AromaticContact CE1-CD2 3.57Å; Y141-Y165 HydrophobicContact CE1-CD2 3.57Å; Y141-Y165 AromaticContact CE1-CE2 3.53Å; Y141-Y165 HydrophobicContact CE1-CE2 3.53Å; Y141-Y165 HydrophobicContact CE1-CG 4.3Å; Y141-Y165 HydrophobicContact CG-CD2 4.28Å; T163-Y165 HydrophobicContact CG2-CD2 3.79Å; T163-Y165 HydrophobicContact CG2-CE1 4.2Å; T163-Y165 HydrophobicContact CG2-CE2 3.27Å; T163-Y165 HydrophobicContact CG2-CG 4.45Å; T163-Y165 VanDerWaalsContact CG2-CZ 3.5Å; Y165-Y189 AromaticContact CD1-CD2 3.53Å; Y165-Y189 HydrophobicContact CD1-CD2 3.53Å; Y165-Y189 HydrophobicContact CD1-CE2 4.01Å; Y165-Y189 HydrophobicContact CD1-CG 4.03Å; Y165-Y189 AromaticContact CE1-CD2 3.56Å; Y165-Y189 HydrophobicContact CE1-CD2 3.56Å; Y165-Y189 AromaticContact CE1-CE2 3.51Å; Y165-Y189 HydrophobicContact CE1-CE2 3.51Å; Y165-Y189 HydrophobicContact CE1-CG 4.28Å; Y165-Y189 HydrophobicContact CG-CD2 4.24Å; Y165-T190 PolarHBondContact O-OG1 3.05Å
166	T	55.4	Low	63.1	Low	32 Å²	32	28 Å²	28	20%	0.196	15%	0.153	C	C	.	.	S	Bend	trans	-147.8	153.5	-175.2	34.8	0	0	0	0	111.9	Y141 T142 P143 S164 S168 T190	Y141-T166 PolarHBondContact O-OG1 2.96Å; T142-T166 WeakPolarHBondContact CA-OG1 2.99Å; T142-T166 PolarHBondContact N-OG1 3.1Å; T142-T166 PolarHBondContact O-OG1 3.4Å; P143-T166 VanDerWaalsContact N-OG1 3.13Å; S164-T166 PolarHBondContact OG-O 2.94Å; S164-T166 VanDerWaalsContact OG-O 3.08Å; T166-S168 PolarHBondContact O-N 3.02Å; T166-S168 VanDerWaalsContact O-N 3.09Å; T166-T190 WeakPolarHBondContact CA-OG1 2.78Å; T166-T190 PolarHBondContact N-OG1 3.39Å; T166-T190 PolarHBondContact O-OG1 3Å
167	P	47.7	Very low	63.6	Low	51 Å²	51	32.2 Å²	32.2	33%	0.331	17%	0.169	S	C	.	.			trans	-64.2	112.9	-165.7	24	-33.3	0	0	0	111.7	P143 P191	P143-P167 HydrophobicContact CB-CG 4.35Å; P143-P167 WeakPolarHBondContact CB-O 3.22Å; P167-P191 HydrophobicContact CB-CG 4.46Å; P167-P191 WeakPolarHBondContact CB-O 3.46Å
168	S	51.9	Low	63.5	Low	3 Å²	3	30.5 Å²	30.5	2%	0.021	16%	0.158	C	C	.	.			trans	-78.3	134.2	167.2	66.9	0	0	0	0	109	S144 T166 N170 S192 T193	S144-S168 WeakPolarHBondContact O-CA 3.15Å; T166-S168 PolarHBondContact O-N 3.02Å; T166-S168 VanDerWaalsContact O-N 3.09Å; S168-N170 PolarHBondContact O-N 2.99Å; S168-N170 PolarHBondContact OG-O 2.95Å; S168-S192 WeakPolarHBondContact O-CA 3.48Å; S168-T193 PolarHBondContact O-N 3.04Å
169	T	58.7	Low	63	Low	62 Å²	62	31.2 Å²	31.2	38%	0.38	17%	0.165	S	C	.	.	S	Bend	trans	-84.3	17.9	171.8	65.3	0	0	0	0	111.7	S144 T145 T193 N194	S144-T169 PolarHBondContact O-N 2.96Å; T145-T169 VanDerWaalsContact CA-OG1 3.26Å; T145-T169 WeakPolarHBondContact CA-OG1 3.18Å; T145-T169 PolarHBondContact O-OG1 2.97Å; T169-T193 VanDerWaalsContact CA-OG1 3.28Å; T169-T193 WeakPolarHBondContact CA-OG1 3.24Å; T169-N194 VanDerWaalsContact C-ND2 3.28Å; T169-N194 PolarHBondContact O-ND2 3.12Å
170	N	58.8	Low	62.4	Low	41 Å²	41	30.4 Å²	30.4	22%	0.219	16%	0.16	C	C	.	.	S	Bend	trans	-153.9	157.2	-170.4	-90.8	-36.5	0	0	0	111.2	T145 N146 P147 S168 N194	T145-N170 PolarHBondContact O-ND2 2.94Å; N146-N170 VanDerWaalsContact C-CB 3.45Å; N146-N170 WeakPolarHBondContact CA-ND2 3.11Å; N146-N170 PolarHBondContact OD1-ND2 2.91Å; P147-N170 HydrophobicContact CB-CB 4.39Å; S168-N170 PolarHBondContact O-N 2.99Å; S168-N170 PolarHBondContact OG-O 2.95Å; N170-N194 VanDerWaalsContact C-CB 3.42Å; N170-N194 WeakPolarHBondContact CA-ND2 3.13Å; N170-N194 PolarHBondContact OD1-ND2 3.04Å
171	P	64.1	Low	61.8	Low	20 Å²	20	33.4 Å²	33.4	13%	0.13	18%	0.178	C	C	.	.			trans	-65.9	155.8	-166.9	24.8	-32.8	0	0	0	112.6	P147 I148 E173 N194 P195	P147-P171 WeakPolarHBondContact CA-O 3.46Å; P147-P171 HydrophobicContact CB-CG 4.14Å; P147-P171 VanDerWaalsContact CB-O 3.26Å; P147-P171 WeakPolarHBondContact CB-O 3.47Å; I148-P171 PolarHBondContact N-O 3.23Å; P171-E173 HydrophobicContact CB-CG 4.32Å; P171-N194 HydrophobicContact CB-CB 4.39Å; P171-P195 WeakPolarHBondContact CA-O 3.14Å; P171-P195 HydrophobicContact CB-CG 4.13Å; P171-P195 VanDerWaalsContact CB-O 3.26Å; P171-P195 WeakPolarHBondContact CB-O 3.32Å
172	I	69.8	Low	61.3	Low	2 Å²	2	32.4 Å²	32.4	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.2	165	-64	170.5	0	0	0	105.6	V162 V174 V186 P195 E197	V162-I172 HydrophobicContact CG1-CG2 3.83Å; I172-V174 HydrophobicContact CG2-CG2 4.17Å; I172-V186 HydrophobicContact CG2-CG1 3.94Å; I172-P195 PolarHBondContact N-O 3.28Å; I172-E197 PolarHBondContact O-N 2.98Å
173	E	68.8	Low	61	Low	60 Å²	60	33.3 Å²	33.3	28%	0.28	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.2	179.5	-66.1	-177.1	-158.6	0	0	108.8	I148 E149 V150 P171 E197	I148-E173 PolarHBondContact O-N 2.65Å; E149-E173 HydrophobicContact CG-CB 4.4Å; V150-E173 PolarHBondContact N-O 3.23Å; P171-E173 HydrophobicContact CB-CG 4.32Å; E173-E197 HydrophobicContact CG-CB 4.41Å
174	V	70.8	Confident	60.9	Low	1 Å²	1	32.4 Å²	32.4	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	109.4	172.6	-175.7	0	0	0	0	108.2	I160 V162 I172 I184 V186 E197 T199	I160-V174 HydrophobicContact CG2-CG1 3.98Å; V162-V174 HydrophobicContact CB-CG2 4.28Å; V162-V174 HydrophobicContact CG2-CG2 3.66Å; I172-V174 HydrophobicContact CG2-CG2 4.17Å; V174-I184 HydrophobicContact CG1-CG2 3.78Å; V174-V186 HydrophobicContact CB-CG2 4.31Å; V174-V186 HydrophobicContact CG2-CG2 3.67Å; V174-E197 PolarHBondContact N-O 2.82Å; V174-T199 PolarHBondContact O-N 2.64Å
175	T	70.7	Confident	61	Low	17 Å²	17	35.2 Å²	35.2	10%	0.104	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.1	179.6	-57.8	0	0	0	0	111.1	V150 T151 S152 Y177 T199 Y201	V150-T175 PolarHBondContact O-N 2.94Å; T151-T175 WeakPolarHBondContact CA-O 3.47Å; S152-T175 PolarHBondContact N-O 2.92Å; T175-Y177 HydrophobicContact CG2-CD2 3.81Å; T175-Y177 HydrophobicContact CG2-CE1 4.18Å; T175-Y177 HydrophobicContact CG2-CE2 3.29Å; T175-Y177 HydrophobicContact CG2-CG 4.44Å; T175-Y177 VanDerWaalsContact CG2-CZ 3.5Å; T175-T199 WeakPolarHBondContact CA-O 3.3Å; T175-Y201 HydrophobicContact CG2-CD2 3.99Å; T175-Y201 HydrophobicContact CG2-CE2 3.7Å
176	S	64.7	Low	61.4	Low	1 Å²	1	31 Å²	31	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.4	171.8	-176.4	0	0	0	0	111.1	T178 T199 Y201	S176-T178 PolarHBondContact OG-O 3.21Å; S176-T178 VanDerWaalsContact OG-O 3.05Å; S176-T199 PolarHBondContact N-O 3.21Å; S176-Y201 PolarHBondContact O-N 2.95Å
177	Y	63.2	Low	62.1	Low	91 Å²	91	30.3 Å²	30.3	36%	0.357	17%	0.168	S	C	.	.			trans	-91.8	-3.1	-179	-70.7	-82	0	0	0	114.1	T151 S152 Y153 T175 Y201 T202	T151-Y177 HydrophobicContact CG2-CD2 4.01Å; T151-Y177 HydrophobicContact CG2-CE2 3.71Å; S152-Y177 PolarHBondContact O-N 3.35Å; Y153-Y177 AromaticContact CD1-CD2 3.56Å; Y153-Y177 HydrophobicContact CD1-CD2 3.56Å; Y153-Y177 HydrophobicContact CD1-CE2 4.05Å; Y153-Y177 HydrophobicContact CD1-CG 4.08Å; Y153-Y177 AromaticContact CE1-CD2 3.59Å; Y153-Y177 HydrophobicContact CE1-CD2 3.59Å; Y153-Y177 AromaticContact CE1-CE2 3.55Å; Y153-Y177 HydrophobicContact CE1-CE2 3.55Å; Y153-Y177 HydrophobicContact CE1-CG 4.33Å; Y153-Y177 HydrophobicContact CG-CD2 4.28Å; T175-Y177 HydrophobicContact CG2-CD2 3.81Å; T175-Y177 HydrophobicContact CG2-CE1 4.18Å; T175-Y177 HydrophobicContact CG2-CE2 3.29Å; T175-Y177 HydrophobicContact CG2-CG 4.44Å; T175-Y177 VanDerWaalsContact CG2-CZ 3.5Å; Y177-Y201 AromaticContact CD1-CD2 3.59Å; Y177-Y201 HydrophobicContact CD1-CD2 3.59Å; Y177-Y201 HydrophobicContact CD1-CE2 4.08Å; Y177-Y201 HydrophobicContact CD1-CG 4.09Å; Y177-Y201 AromaticContact CE1-CD2 3.62Å; Y177-Y201 HydrophobicContact CE1-CD2 3.62Å; Y177-Y201 AromaticContact CE1-CE2 3.59Å; Y177-Y201 HydrophobicContact CE1-CE2 3.59Å; Y177-Y201 HydrophobicContact CE1-CG 4.34Å; Y177-Y201 HydrophobicContact CG-CD2 4.3Å; Y177-T202 WeakPolarHBondContact O-CG2 3.24Å
178	T	55.2	Low	62.9	Low	29 Å²	29	28 Å²	28	18%	0.178	15%	0.152	C	C	.	.	S	Bend	trans	-150	152.3	-173.8	46.3	0	0	0	0	112.2	Y153 T154 S176 S180 T202	Y153-T178 WeakPolarHBondContact O-CG2 3.3Å; T154-T178 WeakPolarHBondContact CA-OG1 3.37Å; T154-T178 PolarHBondContact N-OG1 3.47Å; T154-T178 PolarHBondContact O-OG1 3.15Å; S176-T178 PolarHBondContact OG-O 3.21Å; S176-T178 VanDerWaalsContact OG-O 3.05Å; T178-S180 PolarHBondContact O-N 3.17Å; T178-S180 VanDerWaalsContact O-N 3.09Å; T178-T202 WeakPolarHBondContact CA-OG1 3.21Å; T178-T202 PolarHBondContact N-OG1 3.01Å; T178-T202 PolarHBondContact O-OG1 3.02Å
179	P	48.1	Very low	63.4	Low	55 Å²	55	32.1 Å²	32.1	36%	0.357	17%	0.168	S	C	.	.			trans	-65	113.4	-163.5	23.6	-33.2	0	0	0	111.5	P155 P203	P155-P179 HydrophobicContact CB-CG 4.45Å; P155-P179 WeakPolarHBondContact CB-O 2.96Å; P179-P203 HydrophobicContact CB-CG 4.34Å; P179-P203 WeakPolarHBondContact CB-O 3.44Å
180	S	52	Low	63.2	Low	3 Å²	3	30.7 Å²	30.7	2%	0.021	16%	0.16	C	C	.	.			trans	-78.9	135.8	169.2	66	0	0	0	0	109.2	S156 T178 N182 S204 T205	S156-S180 WeakPolarHBondContact O-CA 3.42Å; T178-S180 PolarHBondContact O-N 3.17Å; T178-S180 VanDerWaalsContact O-N 3.09Å; S180-N182 PolarHBondContact O-N 2.99Å; S180-N182 PolarHBondContact OG-O 2.61Å; S180-S204 WeakPolarHBondContact O-CA 3.39Å; S180-T205 PolarHBondContact O-N 2.98Å
181	T	58.2	Low	62.7	Low	63 Å²	63	31.2 Å²	31.2	39%	0.387	17%	0.165	S	C	.	.	S	Bend	trans	-83.1	11	171.6	63.5	0	0	0	0	112.1	S156 T157 T205 N206	S156-T181 PolarHBondContact O-N 2.83Å; T157-T181 VanDerWaalsContact CA-OG1 3.28Å; T157-T181 WeakPolarHBondContact CA-OG1 3.31Å; T157-T181 PolarHBondContact O-OG1 3.22Å; T181-T205 VanDerWaalsContact CA-OG1 3.24Å; T181-T205 WeakPolarHBondContact CA-OG1 3.15Å; T181-T205 PolarHBondContact O-OG1 2.99Å; T181-N206 PolarHBondContact O-ND2 2.66Å
182	N	58.8	Low	62.1	Low	39 Å²	39	30.4 Å²	30.4	21%	0.209	16%	0.16	C	C	.	.	S	Bend	trans	-148.6	157.4	-168.9	-87.5	-41.9	0	0	0	111.5	T157 N158 P159 S180 N206	T157-N182 VanDerWaalsContact C-ND2 3.28Å; T157-N182 PolarHBondContact O-ND2 3.36Å; N158-N182 VanDerWaalsContact C-CB 3.43Å; N158-N182 WeakPolarHBondContact CA-ND2 3.29Å; N158-N182 PolarHBondContact OD1-ND2 3.28Å; P159-N182 HydrophobicContact CB-CB 4.38Å; S180-N182 PolarHBondContact O-N 2.99Å; S180-N182 PolarHBondContact OG-O 2.61Å; N182-N206 WeakPolarHBondContact CA-ND2 3.49Å; N182-N206 PolarHBondContact OD1-ND2 2.96Å
183	P	63.4	Low	61.6	Low	19 Å²	19	33.3 Å²	33.3	12%	0.123	18%	0.178	C	C	.	.			trans	-66.2	155.1	-167.1	25.1	-33.1	0	0	0	112.3	P159 I160 E185 N206 P207	P159-P183 WeakPolarHBondContact CA-O 2.99Å; P159-P183 HydrophobicContact CB-CG 4.13Å; P159-P183 VanDerWaalsContact CB-O 3.27Å; P159-P183 WeakPolarHBondContact CB-O 3.24Å; I160-P183 PolarHBondContact N-O 2.95Å; P183-E185 HydrophobicContact CB-CG 4.28Å; P183-N206 HydrophobicContact CB-CB 4.41Å; P183-P207 WeakPolarHBondContact CA-O 3.35Å; P183-P207 HydrophobicContact CB-CG 4.13Å; P183-P207 VanDerWaalsContact CB-O 3.25Å; P183-P207 WeakPolarHBondContact CB-O 3.45Å
184	I	69.6	Low	61	Low	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	114.4	165.1	-62.1	173.8	0	0	0	105.3	V174 V186 V198 P207 E209	V174-I184 HydrophobicContact CG1-CG2 3.78Å; I184-V186 HydrophobicContact CG2-CG2 4.21Å; I184-V198 HydrophobicContact CG2-CG1 3.95Å; I184-P207 PolarHBondContact N-O 3.13Å; I184-E209 PolarHBondContact O-N 2.92Å
185	E	68.4	Low	60.7	Low	60 Å²	60	33.1 Å²	33.1	28%	0.28	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	114.6	179.7	-66	-177	-158.8	0	0	108.6	I160 E161 V162 P183 E209	I160-E185 PolarHBondContact O-N 2.95Å; E161-E185 WeakPolarHBondContact CA-O 3.41Å; E161-E185 HydrophobicContact CG-CB 4.39Å; V162-E185 PolarHBondContact N-O 3.25Å; P183-E185 HydrophobicContact CB-CG 4.28Å; E185-E209 WeakPolarHBondContact CA-O 3.47Å; E185-E209 HydrophobicContact CG-CB 4.4Å
186	V	70.3	Confident	60.6	Low	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	109.3	172.7	-176.3	0	0	0	0	108.2	I172 V174 I184 I196 V198 E209 T211	I172-V186 HydrophobicContact CG2-CG1 3.94Å; V174-V186 HydrophobicContact CB-CG2 4.31Å; V174-V186 HydrophobicContact CG2-CG2 3.67Å; I184-V186 HydrophobicContact CG2-CG2 4.21Å; V186-I196 HydrophobicContact CG1-CG2 3.79Å; V186-V198 HydrophobicContact CB-CG2 4.32Å; V186-V198 HydrophobicContact CG2-CG2 3.68Å; V186-E209 PolarHBondContact N-O 3.01Å; V186-T211 PolarHBondContact O-N 3.48Å
187	T	70.4	Confident	60.7	Low	19 Å²	19	35.2 Å²	35.2	12%	0.117	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.9	179.8	-57.4	0	0	0	0	111.1	V162 T163 S164 Y189 T211 Y213	V162-T187 PolarHBondContact O-N 2.99Å; T163-T187 WeakPolarHBondContact CA-O 2.75Å; S164-T187 PolarHBondContact N-O 2.98Å; T187-Y189 HydrophobicContact CG2-CD2 3.83Å; T187-Y189 HydrophobicContact CG2-CE1 4.22Å; T187-Y189 HydrophobicContact CG2-CE2 3.3Å; T187-Y189 HydrophobicContact CG2-CG 4.48Å; T187-T211 WeakPolarHBondContact CA-O 3.13Å; T187-Y213 HydrophobicContact CG2-CD2 4.04Å; T187-Y213 HydrophobicContact CG2-CE2 3.72Å
188	S	64.4	Low	61	Low	1 Å²	1	30.9 Å²	30.9	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.4	172.2	-175.9	0	0	0	0	111.1	T190 T211 Y213	S188-T190 PolarHBondContact OG-O 2.97Å; S188-T211 PolarHBondContact N-O 2.63Å; S188-Y213 PolarHBondContact O-N 2.98Å
189	Y	62.9	Low	61.7	Low	91 Å²	91	30.4 Å²	30.4	36%	0.357	17%	0.168	S	C	.	.			trans	-92	-2.5	-179	-70.2	-83	0	0	0	114.2	T163 S164 Y165 T187 Y213 T214	T163-Y189 HydrophobicContact CG2-CD2 4.03Å; T163-Y189 HydrophobicContact CG2-CE2 3.72Å; S164-Y189 PolarHBondContact O-N 3.05Å; Y165-Y189 AromaticContact CD1-CD2 3.53Å; Y165-Y189 HydrophobicContact CD1-CD2 3.53Å; Y165-Y189 HydrophobicContact CD1-CE2 4.01Å; Y165-Y189 HydrophobicContact CD1-CG 4.03Å; Y165-Y189 AromaticContact CE1-CD2 3.56Å; Y165-Y189 HydrophobicContact CE1-CD2 3.56Å; Y165-Y189 AromaticContact CE1-CE2 3.51Å; Y165-Y189 HydrophobicContact CE1-CE2 3.51Å; Y165-Y189 HydrophobicContact CE1-CG 4.28Å; Y165-Y189 HydrophobicContact CG-CD2 4.24Å; T187-Y189 HydrophobicContact CG2-CD2 3.83Å; T187-Y189 HydrophobicContact CG2-CE1 4.22Å; T187-Y189 HydrophobicContact CG2-CE2 3.3Å; T187-Y189 HydrophobicContact CG2-CG 4.48Å; Y189-Y213 AromaticContact CD1-CD2 3.52Å; Y189-Y213 HydrophobicContact CD1-CD2 3.52Å; Y189-Y213 AromaticContact CD1-CE2 3.99Å; Y189-Y213 HydrophobicContact CD1-CE2 3.99Å; Y189-Y213 HydrophobicContact CD1-CG 4.11Å; Y189-Y213 AromaticContact CE1-CD2 3.57Å; Y189-Y213 HydrophobicContact CE1-CD2 3.57Å; Y189-Y213 AromaticContact CE1-CE2 3.52Å; Y189-Y213 HydrophobicContact CE1-CE2 3.52Å; Y189-Y213 HydrophobicContact CE1-CG 4.38Å; Y189-Y213 HydrophobicContact CG-CD2 4.23Å; Y189-T214 PolarHBondContact O-OG1 3.01Å; Y189-T214 VanDerWaalsContact O-OG1 3.13Å
190	T	55.1	Low	62.5	Low	32 Å²	32	27.8 Å²	27.8	20%	0.196	15%	0.152	C	C	.	.	S	Bend	trans	-148.3	152.7	-174	32.7	0	0	0	0	111.5	Y165 T166 S188 S192 T214	Y165-T190 PolarHBondContact O-OG1 3.05Å; T166-T190 WeakPolarHBondContact CA-OG1 2.78Å; T166-T190 PolarHBondContact N-OG1 3.39Å; T166-T190 PolarHBondContact O-OG1 3Å; S188-T190 PolarHBondContact OG-O 2.97Å; T190-S192 PolarHBondContact O-N 3.17Å; T190-S192 VanDerWaalsContact O-N 3.1Å; T190-T214 WeakPolarHBondContact CA-OG1 3.37Å; T190-T214 PolarHBondContact N-OG1 2.94Å
191	P	47.8	Very low	63	Low	51 Å²	51	32.2 Å²	32.2	33%	0.331	17%	0.168	S	C	.	.			trans	-64.9	112.5	-167.4	25.4	-33.3	0	0	0	111.9	P167 P215	P167-P191 HydrophobicContact CB-CG 4.46Å; P167-P191 WeakPolarHBondContact CB-O 3.46Å; P191-P215 HydrophobicContact CB-CG 4.34Å; P191-P215 WeakPolarHBondContact CB-O 3.38Å
192	S	52	Low	62.8	Low	3 Å²	3	30.6 Å²	30.6	2%	0.021	16%	0.159	C	C	.	.			trans	-77.9	137.2	168	66.4	0	0	0	0	109.3	S168 T190 N194 S216 T217	S168-S192 WeakPolarHBondContact O-CA 3.48Å; T190-S192 PolarHBondContact O-N 3.17Å; T190-S192 VanDerWaalsContact O-N 3.1Å; S192-N194 PolarHBondContact O-N 3.14Å; S192-N194 PolarHBondContact OG-O 3.18Å; S192-S216 WeakPolarHBondContact O-CA 3.4Å; S192-T217 PolarHBondContact O-N 3.21Å; S192-T217 VanDerWaalsContact O-N 3.15Å
193	T	57.8	Low	62.3	Low	63 Å²	63	31.3 Å²	31.3	39%	0.387	17%	0.165	S	C	.	.	S	Bend	trans	-83.3	12.1	171.3	63.7	0	0	0	0	112.1	S168 T169 T217 N218	S168-T193 PolarHBondContact O-N 3.04Å; T169-T193 VanDerWaalsContact CA-OG1 3.28Å; T169-T193 WeakPolarHBondContact CA-OG1 3.24Å; T193-T217 VanDerWaalsContact CA-OG1 3.25Å; T193-T217 WeakPolarHBondContact CA-OG1 3.19Å; T193-T217 PolarHBondContact O-OG1 3.41Å; T193-N218 PolarHBondContact O-ND2 3.23Å
194	N	58.1	Low	61.8	Low	38 Å²	38	30.6 Å²	30.6	20%	0.203	16%	0.161	C	C	.	.	S	Bend	trans	-149.1	156.8	-168.8	-88.3	-41.2	0	0	0	111.7	T169 N170 P171 S192 N218	T169-N194 VanDerWaalsContact C-ND2 3.28Å; T169-N194 PolarHBondContact O-ND2 3.12Å; N170-N194 VanDerWaalsContact C-CB 3.42Å; N170-N194 WeakPolarHBondContact CA-ND2 3.13Å; N170-N194 PolarHBondContact OD1-ND2 3.04Å; P171-N194 HydrophobicContact CB-CB 4.39Å; S192-N194 PolarHBondContact O-N 3.14Å; S192-N194 PolarHBondContact OG-O 3.18Å; N194-N218 VanDerWaalsContact C-CB 3.45Å; N194-N218 WeakPolarHBondContact CA-ND2 3.03Å; N194-N218 PolarHBondContact OD1-ND2 3.17Å; N194-N218 VanDerWaalsContact OD1-ND2 3.17Å
195	P	63.3	Low	61.2	Low	20 Å²	20	33.6 Å²	33.6	13%	0.13	18%	0.179	C	C	.	.			trans	-65.7	154.8	-167.3	25	-32.9	0	0	0	112.3	P171 I172 E197 N218 P219	P171-P195 WeakPolarHBondContact CA-O 3.14Å; P171-P195 HydrophobicContact CB-CG 4.13Å; P171-P195 VanDerWaalsContact CB-O 3.26Å; P171-P195 WeakPolarHBondContact CB-O 3.32Å; I172-P195 PolarHBondContact N-O 3.28Å; P195-E197 HydrophobicContact CB-CG 4.31Å; P195-N218 HydrophobicContact CB-CB 4.43Å; P195-P219 WeakPolarHBondContact CA-O 3.2Å; P195-P219 HydrophobicContact CB-CG 4.15Å; P195-P219 VanDerWaalsContact CB-O 3.25Å; P195-P219 WeakPolarHBondContact CB-O 2.8Å
196	I	68.9	Low	60.7	Low	2 Å²	2	32.6 Å²	32.6	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.2	164.9	-62.3	174	0	0	0	105.4	V186 V198 V210 P219 E221	V186-I196 HydrophobicContact CG1-CG2 3.79Å; I196-V198 HydrophobicContact CG2-CG2 4.2Å; I196-V210 HydrophobicContact CG2-CG1 3.96Å; I196-P219 PolarHBondContact N-O 3.09Å; I196-E221 PolarHBondContact O-N 3.23Å
197	E	67.6	Low	60.4	Low	59 Å²	59	33.5 Å²	33.5	28%	0.276	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113.8	179.3	-66.2	-176.2	-159.1	0	0	108.8	I172 E173 V174 P195 E221	I172-E197 PolarHBondContact O-N 2.98Å; E173-E197 HydrophobicContact CG-CB 4.41Å; V174-E197 PolarHBondContact N-O 2.82Å; P195-E197 HydrophobicContact CB-CG 4.31Å; E197-E221 HydrophobicContact CG-CB 4.41Å
198	V	69.7	Low	60.3	Low	1 Å²	1	32.6 Å²	32.6	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	109.4	172.1	-175.9	0	0	0	0	108.1	I184 V186 I196 I208 V210 E221 T223	I184-V198 HydrophobicContact CG2-CG1 3.95Å; V186-V198 HydrophobicContact CB-CG2 4.32Å; V186-V198 HydrophobicContact CG2-CG2 3.68Å; I196-V198 HydrophobicContact CG2-CG2 4.2Å; V198-I208 HydrophobicContact CB-CG2 4.48Å; V198-I208 HydrophobicContact CG1-CG2 3.77Å; V198-V210 HydrophobicContact CB-CG2 4.32Å; V198-V210 HydrophobicContact CG2-CG2 3.67Å; V198-E221 PolarHBondContact N-O 2.77Å; V198-T223 PolarHBondContact O-N 2.81Å
199	T	69.7	Low	60.4	Low	18 Å²	18	35.4 Å²	35.4	11%	0.11	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120	179.6	-57.6	0	0	0	0	111	V174 T175 S176 Y201 T223 Y225	V174-T199 PolarHBondContact O-N 2.64Å; T175-T199 WeakPolarHBondContact CA-O 3.3Å; S176-T199 PolarHBondContact N-O 3.21Å; T199-Y201 HydrophobicContact CG2-CD2 3.81Å; T199-Y201 HydrophobicContact CG2-CE1 4.19Å; T199-Y201 HydrophobicContact CG2-CE2 3.3Å; T199-Y201 HydrophobicContact CG2-CG 4.45Å; T199-T223 WeakPolarHBondContact CA-O 2.79Å; T199-Y225 HydrophobicContact CG2-CD2 4.03Å; T199-Y225 HydrophobicContact CG2-CE2 3.72Å
200	S	63.5	Low	60.7	Low	1 Å²	1	31 Å²	31	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.1	171.4	-177.9	0	0	0	0	110.9	T202 T223 Y225	S200-T202 PolarHBondContact OG-O 3.27Å; S200-T223 PolarHBondContact N-O 3.47Å; S200-Y225 PolarHBondContact O-N 3.28Å
201	Y	62.6	Low	61.4	Low	95 Å²	95	30.5 Å²	30.5	37%	0.373	17%	0.168	S	C	.	.			trans	-90.5	-2.8	-179.7	-70.8	-82.2	0	0	0	114	T175 S176 Y177 T199 Y225 T226	T175-Y201 HydrophobicContact CG2-CD2 3.99Å; T175-Y201 HydrophobicContact CG2-CE2 3.7Å; S176-Y201 PolarHBondContact O-N 2.95Å; Y177-Y201 AromaticContact CD1-CD2 3.59Å; Y177-Y201 HydrophobicContact CD1-CD2 3.59Å; Y177-Y201 HydrophobicContact CD1-CE2 4.08Å; Y177-Y201 HydrophobicContact CD1-CG 4.09Å; Y177-Y201 AromaticContact CE1-CD2 3.62Å; Y177-Y201 HydrophobicContact CE1-CD2 3.62Å; Y177-Y201 AromaticContact CE1-CE2 3.59Å; Y177-Y201 HydrophobicContact CE1-CE2 3.59Å; Y177-Y201 HydrophobicContact CE1-CG 4.34Å; Y177-Y201 HydrophobicContact CG-CD2 4.3Å; T199-Y201 HydrophobicContact CG2-CD2 3.81Å; T199-Y201 HydrophobicContact CG2-CE1 4.19Å; T199-Y201 HydrophobicContact CG2-CE2 3.3Å; T199-Y201 HydrophobicContact CG2-CG 4.45Å; Y201-Y225 AromaticContact CD1-CD2 3.59Å; Y201-Y225 HydrophobicContact CD1-CD2 3.59Å; Y201-Y225 HydrophobicContact CD1-CE2 4.07Å; Y201-Y225 HydrophobicContact CD1-CG 4.12Å; Y201-Y225 AromaticContact CE1-CD2 3.64Å; Y201-Y225 HydrophobicContact CE1-CD2 3.64Å; Y201-Y225 AromaticContact CE1-CE2 3.6Å; Y201-Y225 HydrophobicContact CE1-CE2 3.6Å; Y201-Y225 HydrophobicContact CE1-CG 4.38Å; Y201-Y225 HydrophobicContact CG-CD2 4.3Å; Y201-T226 VanDerWaalsContact O-CG2 3.3Å; Y201-T226 WeakPolarHBondContact O-CG2 3.17Å
202	T	55.3	Low	62.1	Low	30 Å²	30	28.1 Å²	28.1	18%	0.184	15%	0.153	C	C	.	.	S	Bend	trans	-152.3	152.7	-172.2	45.8	0	0	0	0	112.4	Y177 T178 S200 S204 T226	Y177-T202 WeakPolarHBondContact O-CG2 3.24Å; T178-T202 WeakPolarHBondContact CA-OG1 3.21Å; T178-T202 PolarHBondContact N-OG1 3.01Å; T178-T202 PolarHBondContact O-OG1 3.02Å; S200-T202 PolarHBondContact OG-O 3.27Å; T202-S204 PolarHBondContact O-N 3Å; T202-S204 VanDerWaalsContact O-N 3.09Å; T202-T226 WeakPolarHBondContact CA-OG1 3.48Å; T202-T226 PolarHBondContact N-OG1 2.99Å; T202-T226 PolarHBondContact O-OG1 2.97Å
203	P	47.9	Very low	62.6	Low	54 Å²	54	32.3 Å²	32.3	35%	0.351	17%	0.169	S	C	.	.			trans	-66	112.4	-161.8	22.9	-32.9	0	0	0	111.7	P179 P227	P179-P203 HydrophobicContact CB-CG 4.34Å; P179-P203 WeakPolarHBondContact CB-O 3.44Å; P203-P227 WeakPolarHBondContact CA-O 3.41Å; P203-P227 WeakPolarHBondContact CB-O 3.25Å
204	S	52.1	Low	62.5	Low	3 Å²	3	30.9 Å²	30.9	2%	0.021	16%	0.16	C	C	.	.			trans	-77.7	135.4	169.5	66.4	0	0	0	0	109.2	S180 T202 N206 S228 T229	S180-S204 WeakPolarHBondContact O-CA 3.39Å; T202-S204 PolarHBondContact O-N 3Å; T202-S204 VanDerWaalsContact O-N 3.09Å; S204-N206 WeakPolarHBondContact CB-O 3.5Å; S204-N206 PolarHBondContact O-N 2.94Å; S204-N206 PolarHBondContact OG-O 3.26Å; S204-S228 WeakPolarHBondContact O-CA 3.26Å; S204-T229 PolarHBondContact O-N 3.13Å; S204-T229 VanDerWaalsContact O-N 3.12Å
205	T	58.2	Low	61.9	Low	65 Å²	65	31.5 Å²	31.5	40%	0.399	17%	0.166	S	C	.	.	S	Bend	trans	-80.5	2.6	170.7	62.1	0	0	0	0	112.4	S180 T181 T229 N230	S180-T205 PolarHBondContact O-N 2.98Å; T181-T205 VanDerWaalsContact CA-OG1 3.24Å; T181-T205 WeakPolarHBondContact CA-OG1 3.15Å; T181-T205 PolarHBondContact O-OG1 2.99Å; T205-T229 WeakPolarHBondContact CA-OG1 3.2Å; T205-T229 PolarHBondContact O-OG1 3.05Å; T205-N230 PolarHBondContact O-ND2 2.98Å
206	N	57.9	Low	61.4	Low	39 Å²	39	30.7 Å²	30.7	21%	0.209	16%	0.161	C	C	.	.	S	Bend	trans	-138.6	156.6	-169.4	-92.7	-37.1	0	0	0	112.8	T181 N182 P183 S204 N230	T181-N206 PolarHBondContact O-ND2 2.66Å; N182-N206 WeakPolarHBondContact CA-ND2 3.49Å; N182-N206 PolarHBondContact OD1-ND2 2.96Å; P183-N206 HydrophobicContact CB-CB 4.41Å; S204-N206 WeakPolarHBondContact CB-O 3.5Å; S204-N206 PolarHBondContact O-N 2.94Å; S204-N206 PolarHBondContact OG-O 3.26Å; N206-N230 VanDerWaalsContact C-CB 3.43Å; N206-N230 WeakPolarHBondContact CA-ND2 3.39Å; N206-N230 PolarHBondContact OD1-ND2 3.22Å
207	P	62.6	Low	60.8	Low	18 Å²	18	33.6 Å²	33.6	12%	0.117	18%	0.179	C	C	.	.			trans	-65.6	154.8	-168	25.9	-33	0	0	0	112	P183 I184 E209 N230 P231	P183-P207 WeakPolarHBondContact CA-O 3.35Å; P183-P207 HydrophobicContact CB-CG 4.13Å; P183-P207 VanDerWaalsContact CB-O 3.25Å; P183-P207 WeakPolarHBondContact CB-O 3.45Å; I184-P207 PolarHBondContact N-O 3.13Å; P207-E209 HydrophobicContact CB-CG 4.31Å; P207-N230 HydrophobicContact CB-CB 4.37Å; P207-P231 WeakPolarHBondContact CA-O 3.47Å; P207-P231 HydrophobicContact CB-CG 4.14Å; P207-P231 VanDerWaalsContact CB-O 3.24Å; P207-P231 WeakPolarHBondContact CB-O 2.8Å
208	I	68.5	Low	60.3	Low	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.3	165.4	-61.9	174	0	0	0	105.4	V198 V210 V222 P231 E233	V198-I208 HydrophobicContact CB-CG2 4.48Å; V198-I208 HydrophobicContact CG1-CG2 3.77Å; I208-V210 HydrophobicContact CG2-CG2 4.21Å; I208-V222 HydrophobicContact CG2-CG1 3.94Å; I208-P231 PolarHBondContact N-O 3.46Å; I208-E233 PolarHBondContact O-N 3.05Å
209	E	67.2	Low	60	Low	59 Å²	59	33.7 Å²	33.7	28%	0.276	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.6	179.9	-66.2	-176.8	-158	0	0	108.7	I184 E185 V186 P207 E233	I184-E209 PolarHBondContact O-N 2.92Å; E185-E209 WeakPolarHBondContact CA-O 3.47Å; E185-E209 HydrophobicContact CG-CB 4.4Å; V186-E209 PolarHBondContact N-O 3.01Å; P207-E209 HydrophobicContact CB-CG 4.31Å; E209-E233 HydrophobicContact CG-CB 4.4Å
210	V	69.1	Low	59.9	Low	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	110.1	172.4	-175.8	0	0	0	0	108.1	I196 V198 I208 I220 V222 E233 T235	I196-V210 HydrophobicContact CG2-CG1 3.96Å; V198-V210 HydrophobicContact CB-CG2 4.32Å; V198-V210 HydrophobicContact CG2-CG2 3.67Å; I208-V210 HydrophobicContact CG2-CG2 4.21Å; V210-I220 HydrophobicContact CB-CG2 4.49Å; V210-I220 HydrophobicContact CG1-CG2 3.78Å; V210-V222 HydrophobicContact CB-CG2 4.34Å; V210-V222 HydrophobicContact CG2-CG2 3.68Å; V210-E233 PolarHBondContact N-O 2.92Å; V210-T235 PolarHBondContact O-N 3.17Å
211	T	69.5	Low	60	Low	20 Å²	20	35.7 Å²	35.7	12%	0.123	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.6	179.9	-60.5	0	0	0	0	111	V186 T187 S188 Y213 T235 Y237	V186-T211 PolarHBondContact O-N 3.48Å; T187-T211 WeakPolarHBondContact CA-O 3.13Å; S188-T211 PolarHBondContact N-O 2.63Å; T211-Y213 HydrophobicContact CG2-CD2 3.86Å; T211-Y213 HydrophobicContact CG2-CE1 4.09Å; T211-Y213 HydrophobicContact CG2-CE2 3.35Å; T211-Y213 HydrophobicContact CG2-CG 4.43Å; T211-Y213 VanDerWaalsContact CG2-CZ 3.47Å; T211-T235 WeakPolarHBondContact CA-O 2.86Å; T211-Y237 HydrophobicContact CG2-CD2 4.02Å; T211-Y237 HydrophobicContact CG2-CE2 3.71Å
212	S	63.4	Low	60.3	Low	1 Å²	1	31.2 Å²	31.2	1%	0.007	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.4	172.4	-177	0	0	0	0	111	T214 T235 Y237	S212-T214 PolarHBondContact OG-O 2.91Å; S212-T214 VanDerWaalsContact OG-O 3.04Å; S212-T235 PolarHBondContact N-O 3.17Å; S212-Y237 PolarHBondContact O-N 3.22Å
213	Y	62.4	Low	61	Low	91 Å²	91	30.7 Å²	30.7	36%	0.357	17%	0.17	S	C	.	.			trans	-91.3	-4.4	-178.9	-69.7	-78.9	0	0	0	114.3	T187 S188 Y189 T211 Y237 T238	T187-Y213 HydrophobicContact CG2-CD2 4.04Å; T187-Y213 HydrophobicContact CG2-CE2 3.72Å; S188-Y213 PolarHBondContact O-N 2.98Å; Y189-Y213 AromaticContact CD1-CD2 3.52Å; Y189-Y213 HydrophobicContact CD1-CD2 3.52Å; Y189-Y213 AromaticContact CD1-CE2 3.99Å; Y189-Y213 HydrophobicContact CD1-CE2 3.99Å; Y189-Y213 HydrophobicContact CD1-CG 4.11Å; Y189-Y213 AromaticContact CE1-CD2 3.57Å; Y189-Y213 HydrophobicContact CE1-CD2 3.57Å; Y189-Y213 AromaticContact CE1-CE2 3.52Å; Y189-Y213 HydrophobicContact CE1-CE2 3.52Å; Y189-Y213 HydrophobicContact CE1-CG 4.38Å; Y189-Y213 HydrophobicContact CG-CD2 4.23Å; T211-Y213 HydrophobicContact CG2-CD2 3.86Å; T211-Y213 HydrophobicContact CG2-CE1 4.09Å; T211-Y213 HydrophobicContact CG2-CE2 3.35Å; T211-Y213 HydrophobicContact CG2-CG 4.43Å; T211-Y213 VanDerWaalsContact CG2-CZ 3.47Å; Y213-Y237 AromaticContact CD1-CD2 3.51Å; Y213-Y237 HydrophobicContact CD1-CD2 3.51Å; Y213-Y237 AromaticContact CD1-CE2 4Å; Y213-Y237 HydrophobicContact CD1-CE2 4Å; Y213-Y237 AromaticContact CD1-CG 4Å; Y213-Y237 HydrophobicContact CD1-CG 4Å; Y213-Y237 AromaticContact CE1-CD2 3.54Å; Y213-Y237 HydrophobicContact CE1-CD2 3.54Å; Y213-Y237 AromaticContact CE1-CE2 3.51Å; Y213-Y237 HydrophobicContact CE1-CE2 3.51Å; Y213-Y237 HydrophobicContact CE1-CG 4.26Å; Y213-Y237 HydrophobicContact CG-CD2 4.29Å; Y213-T238 VanDerWaalsContact C-OG1 3.3Å; Y213-T238 WeakPolarHBondContact O-CG2 3.03Å; Y213-T238 PolarHBondContact O-OG1 3.37Å
214	T	54.5	Low	61.7	Low	33 Å²	33	28.1 Å²	28.1	20%	0.202	15%	0.153	C	C	.	.	S	Bend	trans	-149.6	153.6	-174.8	27.7	0	0	0	0	112.2	Y189 T190 S212 S216 T238	Y189-T214 PolarHBondContact O-OG1 3.01Å; Y189-T214 VanDerWaalsContact O-OG1 3.13Å; T190-T214 WeakPolarHBondContact CA-OG1 3.37Å; T190-T214 PolarHBondContact N-OG1 2.94Å; S212-T214 PolarHBondContact OG-O 2.91Å; S212-T214 VanDerWaalsContact OG-O 3.04Å; T214-S216 PolarHBondContact O-N 2.98Å; T214-S216 VanDerWaalsContact O-N 3.09Å; T214-T238 WeakPolarHBondContact CA-OG1 3.48Å; T214-T238 PolarHBondContact N-OG1 3Å; T214-T238 PolarHBondContact O-OG1 2.93Å
215	P	46.9	Very low	62.1	Low	51 Å²	51	32.4 Å²	32.4	33%	0.331	17%	0.17	S	C	.	.			trans	-66.1	111.6	-162.3	24.6	-33.5	0	0	0	111.9	P191 T238 P239	P191-P215 HydrophobicContact CB-CG 4.34Å; P191-P215 WeakPolarHBondContact CB-O 3.38Å; P215-T238 VanDerWaalsContact N-OG1 3.1Å; P215-P239 HydrophobicContact CB-CG 4.32Å; P215-P239 WeakPolarHBondContact CB-O 2.8Å
216	S	51.4	Low	61.9	Low	3 Å²	3	30.8 Å²	30.8	2%	0.021	16%	0.16	C	C	.	.			trans	-75.7	136	169.4	66.6	0	0	0	0	109.4	S192 T214 N218 S240 T241	S192-S216 WeakPolarHBondContact O-CA 3.4Å; T214-S216 PolarHBondContact O-N 2.98Å; T214-S216 VanDerWaalsContact O-N 3.09Å; S216-N218 PolarHBondContact O-N 3.49Å; S216-N218 PolarHBondContact OG-O 2.98Å; S216-S240 WeakPolarHBondContact O-CA 3.1Å; S216-T241 PolarHBondContact O-N 2.98Å
217	T	57.4	Low	61.4	Low	63 Å²	63	31.4 Å²	31.4	39%	0.387	17%	0.166	S	C	.	.	S	Bend	trans	-85.2	15.4	171.5	66.7	0	0	0	0	112	S192 T193 T241 N242	S192-T217 PolarHBondContact O-N 3.21Å; S192-T217 VanDerWaalsContact O-N 3.15Å; T193-T217 VanDerWaalsContact CA-OG1 3.25Å; T193-T217 WeakPolarHBondContact CA-OG1 3.19Å; T193-T217 PolarHBondContact O-OG1 3.41Å; T217-T241 VanDerWaalsContact CA-OG1 3.27Å; T217-T241 WeakPolarHBondContact CA-OG1 3.41Å; T217-T241 PolarHBondContact O-OG1 2.98Å; T217-N242 VanDerWaalsContact C-ND2 3.31Å; T217-N242 PolarHBondContact O-ND2 2.96Å
218	N	57.1	Low	60.9	Low	42 Å²	42	30.7 Å²	30.7	23%	0.225	16%	0.161	C	C	.	.	S	Bend	trans	-151.7	157.1	-171.6	-91.9	-31.7	0	0	0	111.3	T193 N194 P195 S216 N242	T193-N218 PolarHBondContact O-ND2 3.23Å; N194-N218 VanDerWaalsContact C-CB 3.45Å; N194-N218 WeakPolarHBondContact CA-ND2 3.03Å; N194-N218 PolarHBondContact OD1-ND2 3.17Å; N194-N218 VanDerWaalsContact OD1-ND2 3.17Å; P195-N218 HydrophobicContact CB-CB 4.43Å; S216-N218 PolarHBondContact O-N 3.49Å; S216-N218 PolarHBondContact OG-O 2.98Å; N218-N242 WeakPolarHBondContact CA-ND2 3.37Å; N218-N242 PolarHBondContact OD1-ND2 3.35Å
219	P	62.4	Low	60.3	Low	20 Å²	20	33.4 Å²	33.4	13%	0.13	18%	0.178	C	C	.	.			trans	-66.1	155.7	-166.7	24.9	-32.6	0	0	0	112.5	P195 I196 E221 N242 P243	P195-P219 WeakPolarHBondContact CA-O 3.2Å; P195-P219 HydrophobicContact CB-CG 4.15Å; P195-P219 VanDerWaalsContact CB-O 3.25Å; P195-P219 WeakPolarHBondContact CB-O 2.8Å; I196-P219 PolarHBondContact N-O 3.09Å; P219-E221 HydrophobicContact CB-CG 4.32Å; P219-N242 HydrophobicContact CB-CB 4.39Å; P219-P243 WeakPolarHBondContact CA-O 3.47Å; P219-P243 HydrophobicContact CB-CG 4.11Å; P219-P243 VanDerWaalsContact CB-O 3.22Å; P219-P243 WeakPolarHBondContact CB-O 3.49Å
220	I	68	Low	59.9	Low	2 Å²	2	32.3 Å²	32.3	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.5	165.2	-61.7	174.6	0	0	0	105.5	V210 V222 V234 P243 E245	V210-I220 HydrophobicContact CB-CG2 4.49Å; V210-I220 HydrophobicContact CG1-CG2 3.78Å; I220-V222 HydrophobicContact CG2-CG2 4.22Å; I220-V234 HydrophobicContact CG2-CG1 3.98Å; I220-P243 PolarHBondContact N-O 2.91Å; I220-E245 PolarHBondContact O-N 3.37Å
221	E	66.1	Low	59.5	Low	60 Å²	60	33.3 Å²	33.3	28%	0.28	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.2	179.6	-66.1	-176	-159	0	0	108.7	I196 E197 V198 P219 E245	I196-E221 PolarHBondContact O-N 3.23Å; E197-E221 HydrophobicContact CG-CB 4.41Å; V198-E221 PolarHBondContact N-O 2.77Å; P219-E221 HydrophobicContact CB-CG 4.32Å; E221-E245 HydrophobicContact CG-CB 4.42Å
222	V	68.6	Low	59.4	Low	1 Å²	1	32.5 Å²	32.5	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	109.6	172.4	-175.8	0	0	0	0	108.1	I208 V210 I220 I232 V234 E245 T247	I208-V222 HydrophobicContact CG2-CG1 3.94Å; V210-V222 HydrophobicContact CB-CG2 4.34Å; V210-V222 HydrophobicContact CG2-CG2 3.68Å; I220-V222 HydrophobicContact CG2-CG2 4.22Å; V222-I232 HydrophobicContact CB-CG2 4.46Å; V222-I232 HydrophobicContact CG1-CG2 3.76Å; V222-V234 HydrophobicContact CB-CG2 4.35Å; V222-V234 HydrophobicContact CG2-CG2 3.69Å; V222-E245 PolarHBondContact N-O 2.85Å; V222-T247 PolarHBondContact O-N 3.24Å
223	T	68.9	Low	59.5	Low	18 Å²	18	35.1 Å²	35.1	11%	0.11	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120.1	179.8	-57.9	0	0	0	0	111	V198 T199 S200 Y225 Y249	V198-T223 PolarHBondContact O-N 2.81Å; T199-T223 WeakPolarHBondContact CA-O 2.79Å; S200-T223 PolarHBondContact N-O 3.47Å; T223-Y225 HydrophobicContact CG2-CD2 3.82Å; T223-Y225 HydrophobicContact CG2-CE1 4.19Å; T223-Y225 HydrophobicContact CG2-CE2 3.31Å; T223-Y225 HydrophobicContact CG2-CG 4.45Å; T223-Y249 HydrophobicContact CG2-CD2 4.02Å; T223-Y249 HydrophobicContact CG2-CE2 3.71Å
224	S	62.8	Low	59.8	Low	1 Å²	1	30.8 Å²	30.8	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.2	171.2	-176.5	0	0	0	0	111	T226 T247 Y249	S224-T226 PolarHBondContact OG-O 2.94Å; S224-T247 PolarHBondContact N-O 3.23Å; S224-Y249 PolarHBondContact O-N 2.63Å
225	Y	61.7	Low	60.5	Low	93 Å²	93	30.1 Å²	30.1	37%	0.365	17%	0.167	S	C	.	.			trans	-90.1	-3.5	-179.5	-70.6	-82.1	0	0	0	114	T199 S200 Y201 T223 Y249 T250	T199-Y225 HydrophobicContact CG2-CD2 4.03Å; T199-Y225 HydrophobicContact CG2-CE2 3.72Å; S200-Y225 PolarHBondContact O-N 3.28Å; Y201-Y225 AromaticContact CD1-CD2 3.59Å; Y201-Y225 HydrophobicContact CD1-CD2 3.59Å; Y201-Y225 HydrophobicContact CD1-CE2 4.07Å; Y201-Y225 HydrophobicContact CD1-CG 4.12Å; Y201-Y225 AromaticContact CE1-CD2 3.64Å; Y201-Y225 HydrophobicContact CE1-CD2 3.64Å; Y201-Y225 AromaticContact CE1-CE2 3.6Å; Y201-Y225 HydrophobicContact CE1-CE2 3.6Å; Y201-Y225 HydrophobicContact CE1-CG 4.38Å; Y201-Y225 HydrophobicContact CG-CD2 4.3Å; T223-Y225 HydrophobicContact CG2-CD2 3.82Å; T223-Y225 HydrophobicContact CG2-CE1 4.19Å; T223-Y225 HydrophobicContact CG2-CE2 3.31Å; T223-Y225 HydrophobicContact CG2-CG 4.45Å; Y225-Y249 AromaticContact CD1-CD2 3.61Å; Y225-Y249 HydrophobicContact CD1-CD2 3.61Å; Y225-Y249 HydrophobicContact CD1-CE2 4.08Å; Y225-Y249 HydrophobicContact CD1-CG 4.13Å; Y225-Y249 AromaticContact CE1-CD2 3.66Å; Y225-Y249 HydrophobicContact CE1-CD2 3.66Å; Y225-Y249 AromaticContact CE1-CE2 3.62Å; Y225-Y249 HydrophobicContact CE1-CE2 3.62Å; Y225-Y249 HydrophobicContact CE1-CG 4.39Å; Y225-Y249 HydrophobicContact CG-CD2 4.32Å; Y225-T250 WeakPolarHBondContact O-CG2 3.47Å; Y225-T250 PolarHBondContact O-OG1 2.94Å
226	T	54.2	Low	61.2	Low	30 Å²	30	27.8 Å²	27.8	18%	0.184	15%	0.151	C	C	.	.	S	Bend	trans	-149.3	156.7	-174	49.2	0	0	0	0	113	Y201 T202 S224 S228 T250	Y201-T226 VanDerWaalsContact O-CG2 3.3Å; Y201-T226 WeakPolarHBondContact O-CG2 3.17Å; T202-T226 WeakPolarHBondContact CA-OG1 3.48Å; T202-T226 PolarHBondContact N-OG1 2.99Å; T202-T226 PolarHBondContact O-OG1 2.97Å; S224-T226 PolarHBondContact OG-O 2.94Å; T226-S228 PolarHBondContact O-N 3.04Å; T226-T250 WeakPolarHBondContact CA-OG1 3.49Å; T226-T250 PolarHBondContact N-OG1 2.97Å; T226-T250 PolarHBondContact O-OG1 3.41Å
227	P	47	Very low	61.7	Low	52 Å²	52	32.1 Å²	32.1	34%	0.338	17%	0.168	S	C	.	.			trans	-59	108.4	-167.6	-20.5	29.6	0	0	0	112.2	P203 T250 P251	P203-P227 WeakPolarHBondContact CA-O 3.41Å; P203-P227 WeakPolarHBondContact CB-O 3.25Å; P227-T250 VanDerWaalsContact N-OG1 3.1Å; P227-P251 VanDerWaalsContact CB-O 3.31Å; P227-P251 WeakPolarHBondContact CB-O 3.23Å; P227-P251 HydrophobicContact CG-CG 4.44Å
228	S	51.5	Low	61.6	Low	3 Å²	3	30.5 Å²	30.5	2%	0.021	16%	0.158	C	C	.	.			trans	-77.4	134.8	166.5	68.2	0	0	0	0	108.7	S204 T226 N230 S252 T253	S204-S228 WeakPolarHBondContact O-CA 3.26Å; T226-S228 PolarHBondContact O-N 3.04Å; S228-N230 WeakPolarHBondContact CB-O 3.33Å; S228-N230 PolarHBondContact O-N 2.98Å; S228-N230 PolarHBondContact OG-O 2.96Å; S228-S252 WeakPolarHBondContact O-CA 3.28Å; S228-T253 PolarHBondContact O-N 2.89Å; S228-T253 VanDerWaalsContact O-N 3.15Å
229	T	57.2	Low	61	Low	58 Å²	58	31 Å²	31	36%	0.356	16%	0.163	S	C	.	.	S	Bend	trans	-77.6	-10.3	171	59	0	0	0	0	112.2	S204 T205 T253 N254	S204-T229 PolarHBondContact O-N 3.13Å; S204-T229 VanDerWaalsContact O-N 3.12Å; T205-T229 WeakPolarHBondContact CA-OG1 3.2Å; T205-T229 PolarHBondContact O-OG1 3.05Å; T229-T253 WeakPolarHBondContact CA-OG1 3.04Å; T229-T253 PolarHBondContact O-OG1 3.22Å; T229-N254 WeakPolarHBondContact O-CB 3.4Å; T229-N254 PolarHBondContact O-ND2 3.09Å
230	N	57.4	Low	60.5	Low	37 Å²	37	30.1 Å²	30.1	20%	0.198	16%	0.158	C	C	.	.	S	Bend	trans	-126.7	159.5	-169.1	-79.9	10.5	0	0	0	112.3	T205 N206 P207 S228 N254	T205-N230 PolarHBondContact O-ND2 2.98Å; N206-N230 VanDerWaalsContact C-CB 3.43Å; N206-N230 WeakPolarHBondContact CA-ND2 3.39Å; N206-N230 PolarHBondContact OD1-ND2 3.22Å; P207-N230 HydrophobicContact CB-CB 4.37Å; S228-N230 WeakPolarHBondContact CB-O 3.33Å; S228-N230 PolarHBondContact O-N 2.98Å; S228-N230 PolarHBondContact OG-O 2.96Å; N230-N254 VanDerWaalsContact C-CB 3.45Å; N230-N254 WeakPolarHBondContact CA-ND2 3.22Å; N230-N254 PolarHBondContact OD1-ND2 2.84Å
231	P	61.9	Low	60	Low	21 Å²	21	33 Å²	33	14%	0.136	18%	0.176	C	C	.	.			trans	-66	156.2	-168.9	25	-33	0	0	0	112.6	P207 I208 E233 N254 P255	P207-P231 WeakPolarHBondContact CA-O 3.47Å; P207-P231 HydrophobicContact CB-CG 4.14Å; P207-P231 VanDerWaalsContact CB-O 3.24Å; P207-P231 WeakPolarHBondContact CB-O 2.8Å; I208-P231 PolarHBondContact N-O 3.46Å; P231-E233 HydrophobicContact CB-CG 4.3Å; P231-N254 HydrophobicContact CB-CB 4.43Å; P231-P255 WeakPolarHBondContact CA-O 3.24Å; P231-P255 HydrophobicContact CB-CG 4.08Å; P231-P255 WeakPolarHBondContact CB-O 3.16Å
232	I	67.3	Low	59.5	Low	2 Å²	2	32 Å²	32	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.5	165.3	-61.7	173.8	0	0	0	105.6	V222 V234 V246 P255 E257	V222-I232 HydrophobicContact CB-CG2 4.46Å; V222-I232 HydrophobicContact CG1-CG2 3.76Å; I232-V234 HydrophobicContact CG2-CG2 4.24Å; I232-V246 HydrophobicContact CG2-CG1 3.94Å; I232-P255 PolarHBondContact N-O 3.31Å; I232-E257 PolarHBondContact O-N 2.84Å
233	E	65.5	Low	59.2	Low	57 Å²	57	32.8 Å²	32.8	27%	0.266	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.5	-179.9	-65.5	-176.4	-158.7	0	0	108.8	I208 E209 V210 P231 E257	I208-E233 PolarHBondContact O-N 3.05Å; E209-E233 HydrophobicContact CG-CB 4.4Å; V210-E233 PolarHBondContact N-O 2.92Å; P231-E233 HydrophobicContact CB-CG 4.3Å; E233-E257 WeakPolarHBondContact CA-O 3.49Å; E233-E257 HydrophobicContact CG-CB 4.4Å
234	V	68.1	Low	59.1	Low	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	109.4	172.4	-175.8	0	0	0	0	108	I220 V222 I232 I244 V246 E257 T259	I220-V234 HydrophobicContact CG2-CG1 3.98Å; V222-V234 HydrophobicContact CB-CG2 4.35Å; V222-V234 HydrophobicContact CG2-CG2 3.69Å; I232-V234 HydrophobicContact CG2-CG2 4.24Å; V234-I244 HydrophobicContact CB-CG2 4.45Å; V234-I244 HydrophobicContact CG1-CG2 3.77Å; V234-V246 HydrophobicContact CB-CG2 4.36Å; V234-V246 HydrophobicContact CG2-CG2 3.69Å; V234-E257 PolarHBondContact N-O 3.17Å; V234-T259 PolarHBondContact O-N 2.93Å
235	T	68.7	Low	59.2	Low	19 Å²	19	34.8 Å²	34.8	12%	0.117	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.2	179.3	-58.1	0	0	0	0	111	V210 T211 S212 Y237 T259 Y261	V210-T235 PolarHBondContact O-N 3.17Å; T211-T235 WeakPolarHBondContact CA-O 2.86Å; S212-T235 PolarHBondContact N-O 3.17Å; T235-Y237 HydrophobicContact CG2-CD2 3.82Å; T235-Y237 HydrophobicContact CG2-CE1 4.18Å; T235-Y237 HydrophobicContact CG2-CE2 3.3Å; T235-Y237 HydrophobicContact CG2-CG 4.45Å; T235-T259 WeakPolarHBondContact CA-O 3.45Å; T235-Y261 HydrophobicContact CG2-CD2 3.98Å; T235-Y261 HydrophobicContact CG2-CE2 3.69Å
236	S	62.3	Low	59.5	Low	2 Å²	2	30.4 Å²	30.4	1%	0.014	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.5	171.9	-176.1	0	0	0	0	111	T238 T259 Y261	S236-T238 PolarHBondContact OG-O 3.24Å; S236-T259 PolarHBondContact N-O 2.62Å; S236-Y261 PolarHBondContact O-N 2.94Å
237	Y	61.5	Low	60.1	Low	93 Å²	93	29.8 Å²	29.8	37%	0.365	16%	0.164	S	C	.	.			trans	-91.4	-3	-178.9	-69.9	-83.6	0	0	0	114.1	T211 S212 Y213 T235 Y261 T262	T211-Y237 HydrophobicContact CG2-CD2 4.02Å; T211-Y237 HydrophobicContact CG2-CE2 3.71Å; S212-Y237 PolarHBondContact O-N 3.22Å; Y213-Y237 AromaticContact CD1-CD2 3.51Å; Y213-Y237 HydrophobicContact CD1-CD2 3.51Å; Y213-Y237 AromaticContact CD1-CE2 4Å; Y213-Y237 HydrophobicContact CD1-CE2 4Å; Y213-Y237 AromaticContact CD1-CG 4Å; Y213-Y237 HydrophobicContact CD1-CG 4Å; Y213-Y237 AromaticContact CE1-CD2 3.54Å; Y213-Y237 HydrophobicContact CE1-CD2 3.54Å; Y213-Y237 AromaticContact CE1-CE2 3.51Å; Y213-Y237 HydrophobicContact CE1-CE2 3.51Å; Y213-Y237 HydrophobicContact CE1-CG 4.26Å; Y213-Y237 HydrophobicContact CG-CD2 4.29Å; T235-Y237 HydrophobicContact CG2-CD2 3.82Å; T235-Y237 HydrophobicContact CG2-CE1 4.18Å; T235-Y237 HydrophobicContact CG2-CE2 3.3Å; T235-Y237 HydrophobicContact CG2-CG 4.45Å; Y237-Y261 AromaticContact CD1-CD2 3.61Å; Y237-Y261 HydrophobicContact CD1-CD2 3.61Å; Y237-Y261 HydrophobicContact CD1-CE2 4.1Å; Y237-Y261 HydrophobicContact CD1-CG 4.14Å; Y237-Y261 AromaticContact CE1-CD2 3.66Å; Y237-Y261 HydrophobicContact CE1-CD2 3.66Å; Y237-Y261 AromaticContact CE1-CE2 3.63Å; Y237-Y261 HydrophobicContact CE1-CE2 3.63Å; Y237-Y261 HydrophobicContact CE1-CG 4.41Å; Y237-Y261 HydrophobicContact CG-CD2 4.31Å; Y237-T262 PolarHBondContact O-OG1 3.01Å
238	T	54.3	Low	60.8	Low	29 Å²	29	27.3 Å²	27.3	18%	0.178	15%	0.149	C	C	.	.	S	Bend	trans	-148.1	155.2	-174.8	41.2	0	0	0	0	112	Y213 T214 P215 S236 S240 T262	Y213-T238 VanDerWaalsContact C-OG1 3.3Å; Y213-T238 WeakPolarHBondContact O-CG2 3.03Å; Y213-T238 PolarHBondContact O-OG1 3.37Å; T214-T238 WeakPolarHBondContact CA-OG1 3.48Å; T214-T238 PolarHBondContact N-OG1 3Å; T214-T238 PolarHBondContact O-OG1 2.93Å; P215-T238 VanDerWaalsContact N-OG1 3.1Å; S236-T238 PolarHBondContact OG-O 3.24Å; T238-S240 PolarHBondContact O-N 2.97Å; T238-S240 VanDerWaalsContact O-N 3.08Å; T238-T262 WeakPolarHBondContact CA-OG1 3.15Å; T238-T262 PolarHBondContact N-OG1 2.98Å; T238-T262 PolarHBondContact O-OG1 2.86Å
239	P	46.4	Very low	61.2	Low	52 Å²	52	31.5 Å²	31.5	34%	0.338	17%	0.165	S	C	.	.			trans	-66.3	109.8	-166.9	25.3	-33.7	0	0	0	112.3	P215 P263	P215-P239 HydrophobicContact CB-CG 4.32Å; P215-P239 WeakPolarHBondContact CB-O 2.8Å; P239-P263 HydrophobicContact CB-CG 4.32Å; P239-P263 WeakPolarHBondContact CB-O 3.46Å
240	S	51	Low	61.1	Low	3 Å²	3	30.1 Å²	30.1	2%	0.021	16%	0.156	C	C	.	.			trans	-75.4	138.1	168.3	68	0	0	0	0	109.6	S216 T238 N242 S264 T265	S216-S240 WeakPolarHBondContact O-CA 3.1Å; T238-S240 PolarHBondContact O-N 2.97Å; T238-S240 VanDerWaalsContact O-N 3.08Å; S240-N242 PolarHBondContact O-N 2.92Å; S240-N242 PolarHBondContact OG-O 2.98Å; S240-S264 WeakPolarHBondContact O-CA 3.21Å; S240-T265 PolarHBondContact O-N 3.08Å; S240-T265 VanDerWaalsContact O-N 3.11Å
241	T	56.8	Low	60.6	Low	63 Å²	63	30.8 Å²	30.8	39%	0.387	16%	0.163	S	C	.	.	S	Bend	trans	-82.2	4.1	170.8	62.7	0	0	0	0	112.5	S216 T217 T265 N266	S216-T241 PolarHBondContact O-N 2.98Å; T217-T241 VanDerWaalsContact CA-OG1 3.27Å; T217-T241 WeakPolarHBondContact CA-OG1 3.41Å; T217-T241 PolarHBondContact O-OG1 2.98Å; T241-T265 WeakPolarHBondContact CA-OG1 2.82Å; T241-T265 PolarHBondContact O-OG1 3.08Å; T241-N266 PolarHBondContact O-ND2 2.96Å; T241-N266 PolarHBondContact O-OD1 3.07Å
242	N	56.3	Low	60.1	Low	37 Å²	37	30 Å²	30	20%	0.198	16%	0.157	C	C	.	.	S	Bend	trans	-139.8	155.8	-168.7	-90	-40.6	0	0	0	113.1	T217 N218 P219 S240 N266	T217-N242 VanDerWaalsContact C-ND2 3.31Å; T217-N242 PolarHBondContact O-ND2 2.96Å; N218-N242 WeakPolarHBondContact CA-ND2 3.37Å; N218-N242 PolarHBondContact OD1-ND2 3.35Å; P219-N242 HydrophobicContact CB-CB 4.39Å; S240-N242 PolarHBondContact O-N 2.92Å; S240-N242 PolarHBondContact OG-O 2.98Å; N242-N266 VanDerWaalsContact C-CB 3.43Å; N242-N266 WeakPolarHBondContact CA-ND2 3.18Å; N242-N266 PolarHBondContact OD1-ND2 3.25Å
243	P	61.4	Low	59.6	Low	18 Å²	18	32.8 Å²	32.8	12%	0.117	18%	0.175	C	C	.	.			trans	-65.3	154.1	-168.2	25.9	-32.9	0	0	0	112	P219 I220 E245 N266 P267	P219-P243 WeakPolarHBondContact CA-O 3.47Å; P219-P243 HydrophobicContact CB-CG 4.11Å; P219-P243 VanDerWaalsContact CB-O 3.22Å; P219-P243 WeakPolarHBondContact CB-O 3.49Å; I220-P243 PolarHBondContact N-O 2.91Å; P243-E245 HydrophobicContact CB-CG 4.33Å; P243-N266 HydrophobicContact CB-CB 4.41Å; P243-P267 WeakPolarHBondContact CA-O 3.34Å; P243-P267 HydrophobicContact CB-CG 4.14Å; P243-P267 VanDerWaalsContact CB-O 3.22Å; P243-P267 WeakPolarHBondContact CB-O 3.47Å
244	I	67	Low	59.1	Low	2 Å²	2	32.2 Å²	32.2	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.3	165.3	-62.3	173.9	0	0	0	105.4	V234 V246 V258 P267 E269	V234-I244 HydrophobicContact CB-CG2 4.45Å; V234-I244 HydrophobicContact CG1-CG2 3.77Å; I244-V246 HydrophobicContact CG2-CG2 4.21Å; I244-V258 HydrophobicContact CG2-CG1 3.97Å; I244-P267 PolarHBondContact N-O 2.84Å; I244-E269 PolarHBondContact O-N 2.79Å
245	E	65	Low	58.8	Low	60 Å²	60	33.1 Å²	33.1	28%	0.28	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113.6	179.3	-66.2	-176	-158.9	0	0	108.7	I220 E221 V222 P243 E269	I220-E245 PolarHBondContact O-N 3.37Å; E221-E245 HydrophobicContact CG-CB 4.42Å; V222-E245 PolarHBondContact N-O 2.85Å; P243-E245 HydrophobicContact CB-CG 4.33Å; E245-E269 HydrophobicContact CG-CB 4.42Å
246	V	67.9	Low	58.7	Low	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	109.7	172.2	-176	0	0	0	0	108	I232 V234 I244 I256 V258 E269 T271	I232-V246 HydrophobicContact CG2-CG1 3.94Å; V234-V246 HydrophobicContact CB-CG2 4.36Å; V234-V246 HydrophobicContact CG2-CG2 3.69Å; I244-V246 HydrophobicContact CG2-CG2 4.21Å; V246-I256 HydrophobicContact CB-CG2 4.45Å; V246-I256 HydrophobicContact CG1-CG2 3.76Å; V246-V258 HydrophobicContact CB-CG2 4.37Å; V246-V258 HydrophobicContact CG2-CG2 3.7Å; V246-E269 PolarHBondContact N-O 3.18Å; V246-T271 PolarHBondContact O-N 3.44Å
247	T	67.4	Low	58.8	Low	17 Å²	17	35 Å²	35	10%	0.104	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.1	179.7	-57.9	0	0	0	0	111	V222 S224 Y249 Y273	V222-T247 PolarHBondContact O-N 3.24Å; S224-T247 PolarHBondContact N-O 3.23Å; T247-Y249 HydrophobicContact CG2-CD2 3.83Å; T247-Y249 HydrophobicContact CG2-CE1 4.16Å; T247-Y249 HydrophobicContact CG2-CE2 3.31Å; T247-Y249 HydrophobicContact CG2-CG 4.44Å; T247-Y249 VanDerWaalsContact CG2-CZ 3.5Å; T247-Y273 HydrophobicContact CG2-CD2 3.99Å; T247-Y273 HydrophobicContact CG2-CE2 3.7Å
248	S	62	Low	59.1	Low	1 Å²	1	30.6 Å²	30.6	1%	0.007	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.8	172.1	-177.6	0	0	0	0	111	T250 T271 Y273	S248-T250 PolarHBondContact OG-O 2.93Å; S248-T250 VanDerWaalsContact OG-O 3.05Å; S248-T271 PolarHBondContact N-O 2.92Å; S248-Y273 PolarHBondContact O-N 2.98Å
249	Y	60.6	Low	59.7	Low	90 Å²	90	30.1 Å²	30.1	35%	0.353	17%	0.167	S	C	.	.			trans	-90.7	-3.7	-178.1	-71.2	-81.5	0	0	0	114.1	T223 S224 Y225 T247 Y273 T274	T223-Y249 HydrophobicContact CG2-CD2 4.02Å; T223-Y249 HydrophobicContact CG2-CE2 3.71Å; S224-Y249 PolarHBondContact O-N 2.63Å; Y225-Y249 AromaticContact CD1-CD2 3.61Å; Y225-Y249 HydrophobicContact CD1-CD2 3.61Å; Y225-Y249 HydrophobicContact CD1-CE2 4.08Å; Y225-Y249 HydrophobicContact CD1-CG 4.13Å; Y225-Y249 AromaticContact CE1-CD2 3.66Å; Y225-Y249 HydrophobicContact CE1-CD2 3.66Å; Y225-Y249 AromaticContact CE1-CE2 3.62Å; Y225-Y249 HydrophobicContact CE1-CE2 3.62Å; Y225-Y249 HydrophobicContact CE1-CG 4.39Å; Y225-Y249 HydrophobicContact CG-CD2 4.32Å; T247-Y249 HydrophobicContact CG2-CD2 3.83Å; T247-Y249 HydrophobicContact CG2-CE1 4.16Å; T247-Y249 HydrophobicContact CG2-CE2 3.31Å; T247-Y249 HydrophobicContact CG2-CG 4.44Å; T247-Y249 VanDerWaalsContact CG2-CZ 3.5Å; Y249-Y273 AromaticContact CD1-CD2 3.62Å; Y249-Y273 HydrophobicContact CD1-CD2 3.62Å; Y249-Y273 HydrophobicContact CD1-CE2 4.11Å; Y249-Y273 HydrophobicContact CD1-CG 4.14Å; Y249-Y273 AromaticContact CE1-CD2 3.67Å; Y249-Y273 HydrophobicContact CE1-CD2 3.67Å; Y249-Y273 AromaticContact CE1-CE2 3.64Å; Y249-Y273 HydrophobicContact CE1-CE2 3.64Å; Y249-Y273 HydrophobicContact CE1-CG 4.4Å; Y249-Y273 HydrophobicContact CG-CD2 4.34Å; Y249-T274 VanDerWaalsContact O-CG2 3.29Å; Y249-T274 WeakPolarHBondContact O-CG2 3.48Å; Y249-T274 PolarHBondContact O-OG1 2.94Å
250	T	53.6	Low	60.4	Low	29 Å²	29	27.7 Å²	27.7	18%	0.178	15%	0.151	C	C	.	.	S	Bend	trans	-151.1	152.1	-172.6	44.5	0	0	0	0	111.8	Y225 T226 P227 S248 S252 T274	Y225-T250 WeakPolarHBondContact O-CG2 3.47Å; Y225-T250 PolarHBondContact O-OG1 2.94Å; T226-T250 WeakPolarHBondContact CA-OG1 3.49Å; T226-T250 PolarHBondContact N-OG1 2.97Å; T226-T250 PolarHBondContact O-OG1 3.41Å; P227-T250 VanDerWaalsContact N-OG1 3.1Å; S248-T250 PolarHBondContact OG-O 2.93Å; S248-T250 VanDerWaalsContact OG-O 3.05Å; T250-S252 PolarHBondContact O-N 3.43Å; T250-S252 VanDerWaalsContact O-N 3.08Å; T250-T274 WeakPolarHBondContact CA-OG1 3.22Å; T250-T274 PolarHBondContact N-OG1 2.97Å; T250-T274 PolarHBondContact O-OG1 2.95Å
251	P	46.9	Very low	60.9	Low	52 Å²	52	32.1 Å²	32.1	34%	0.338	17%	0.168	S	C	.	.			trans	-65.5	111.3	-161.8	23.7	-33.7	0	0	0	111.9	P227 P275	P227-P251 VanDerWaalsContact CB-O 3.31Å; P227-P251 WeakPolarHBondContact CB-O 3.23Å; P227-P251 HydrophobicContact CG-CG 4.44Å; P251-P275 HydrophobicContact CB-CG 4.29Å; P251-P275 WeakPolarHBondContact CB-O 3.15Å
252	S	51	Low	60.7	Low	3 Å²	3	30.6 Å²	30.6	2%	0.021	16%	0.159	C	C	.	.			trans	-76.3	136.1	170.4	67	0	0	0	0	109.7	S228 T250 N254 S276 T277	S228-S252 WeakPolarHBondContact O-CA 3.28Å; T250-S252 PolarHBondContact O-N 3.43Å; T250-S252 VanDerWaalsContact O-N 3.08Å; S252-N254 PolarHBondContact O-N 3.28Å; S252-N254 PolarHBondContact OG-O 3.22Å; S252-S276 WeakPolarHBondContact O-CA 3.42Å; S252-T277 PolarHBondContact O-N 3.24Å
253	T	56.9	Low	60.2	Low	62 Å²	62	31.2 Å²	31.2	38%	0.38	16%	0.164	S	C	.	.	S	Bend	trans	-85	11.9	171.6	61.6	0	0	0	0	112.4	S228 T229 T277 N278	S228-T253 PolarHBondContact O-N 2.89Å; S228-T253 VanDerWaalsContact O-N 3.15Å; T229-T253 WeakPolarHBondContact CA-OG1 3.04Å; T229-T253 PolarHBondContact O-OG1 3.22Å; T253-T277 VanDerWaalsContact CA-OG1 3.25Å; T253-T277 WeakPolarHBondContact CA-OG1 3.41Å; T253-T277 PolarHBondContact O-OG1 3.33Å; T253-N278 PolarHBondContact O-ND2 2.9Å
254	N	56.6	Low	59.7	Low	45 Å²	45	30.5 Å²	30.5	24%	0.241	16%	0.16	C	C	.	.	S	Bend	trans	-148	158.3	-172.1	-94.4	-20.8	0	0	0	111.4	T229 N230 P231 S252 N278	T229-N254 WeakPolarHBondContact O-CB 3.4Å; T229-N254 PolarHBondContact O-ND2 3.09Å; N230-N254 VanDerWaalsContact C-CB 3.45Å; N230-N254 WeakPolarHBondContact CA-ND2 3.22Å; N230-N254 PolarHBondContact OD1-ND2 2.84Å; P231-N254 HydrophobicContact CB-CB 4.43Å; S252-N254 PolarHBondContact O-N 3.28Å; S252-N254 PolarHBondContact OG-O 3.22Å; N254-N278 VanDerWaalsContact C-CB 3.44Å; N254-N278 WeakPolarHBondContact CA-ND2 3.3Å; N254-N278 PolarHBondContact OD1-ND2 2.96Å; N254-N278 VanDerWaalsContact OD1-ND2 3.1Å
255	P	61.1	Low	59.2	Low	19 Å²	19	33.2 Å²	33.2	12%	0.123	18%	0.177	C	C	.	.			trans	-66.4	155.9	-166.8	24.8	-32.3	0	0	0	112.5	P231 I232 E257 N278 P279	P231-P255 WeakPolarHBondContact CA-O 3.24Å; P231-P255 HydrophobicContact CB-CG 4.08Å; P231-P255 WeakPolarHBondContact CB-O 3.16Å; I232-P255 PolarHBondContact N-O 3.31Å; P255-E257 HydrophobicContact CB-CG 4.29Å; P255-N278 HydrophobicContact CB-CB 4.42Å; P255-P279 WeakPolarHBondContact CA-O 3.38Å; P255-P279 HydrophobicContact CB-CG 4.13Å; P255-P279 VanDerWaalsContact CB-O 3.24Å; P255-P279 WeakPolarHBondContact CB-O 3.25Å
256	I	66.6	Low	58.7	Low	2 Å²	2	32.1 Å²	32.1	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115	165.1	-61.6	174.2	0	0	0	105.5	V246 V258 V270 P279 E281	V246-I256 HydrophobicContact CB-CG2 4.45Å; V246-I256 HydrophobicContact CG1-CG2 3.76Å; I256-V258 HydrophobicContact CG2-CG2 4.24Å; I256-V270 HydrophobicContact CG2-CG1 3.94Å; I256-P279 PolarHBondContact N-O 2.65Å; I256-E281 PolarHBondContact O-N 2.64Å
257	E	64.4	Low	58.4	Low	58 Å²	58	33.1 Å²	33.1	27%	0.271	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	113.8	-180	-65.4	-176.2	-159.1	0	0	108.7	I232 E233 V234 P255 E281	I232-E257 PolarHBondContact O-N 2.84Å; E233-E257 WeakPolarHBondContact CA-O 3.49Å; E233-E257 HydrophobicContact CG-CB 4.4Å; V234-E257 PolarHBondContact N-O 3.17Å; P255-E257 HydrophobicContact CB-CG 4.29Å; E257-E281 WeakPolarHBondContact CA-O 2.78Å; E257-E281 HydrophobicContact CG-CB 4.42Å
258	V	67.4	Low	58.4	Low	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.2	172.3	-176	0	0	0	0	108.1	I244 V246 I256 I268 V270 E281 T283	I244-V258 HydrophobicContact CG2-CG1 3.97Å; V246-V258 HydrophobicContact CB-CG2 4.37Å; V246-V258 HydrophobicContact CG2-CG2 3.7Å; I256-V258 HydrophobicContact CG2-CG2 4.24Å; V258-I268 HydrophobicContact CB-CG2 4.46Å; V258-I268 HydrophobicContact CG1-CG2 3.77Å; V258-V270 HydrophobicContact CB-CG2 4.36Å; V258-V270 HydrophobicContact CG2-CG2 3.68Å; V258-E281 PolarHBondContact N-O 3.33Å; V258-T283 PolarHBondContact O-N 3.08Å
259	T	67.6	Low	58.5	Low	20 Å²	20	35.2 Å²	35.2	12%	0.123	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.7	179.5	-59.1	0	0	0	0	111	V234 T235 S236 Y261 T283 Y285	V234-T259 PolarHBondContact O-N 2.93Å; T235-T259 WeakPolarHBondContact CA-O 3.45Å; S236-T259 PolarHBondContact N-O 2.62Å; T259-Y261 HydrophobicContact CG2-CD2 3.82Å; T259-Y261 HydrophobicContact CG2-CE1 4.17Å; T259-Y261 HydrophobicContact CG2-CE2 3.31Å; T259-Y261 HydrophobicContact CG2-CG 4.42Å; T259-T283 WeakPolarHBondContact CA-O 3.49Å; T259-Y285 HydrophobicContact CG2-CD2 4.02Å; T259-Y285 HydrophobicContact CG2-CE2 3.7Å
260	S	61.7	Low	58.8	Low	1 Å²	1	30.9 Å²	30.9	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.1	172.3	-177.9	0	0	0	0	111	T262 T283 Y285	S260-T262 PolarHBondContact OG-O 2.96Å; S260-T283 PolarHBondContact N-O 3.45Å; S260-Y285 PolarHBondContact O-N 3.21Å
261	Y	60.7	Low	59.4	Low	95 Å²	95	30.4 Å²	30.4	37%	0.373	17%	0.168	S	C	.	.			trans	-91.2	-1.8	-178.8	-70.7	-81	0	0	0	114.1	T235 S236 Y237 T259 Y285 T286	T235-Y261 HydrophobicContact CG2-CD2 3.98Å; T235-Y261 HydrophobicContact CG2-CE2 3.69Å; S236-Y261 PolarHBondContact O-N 2.94Å; Y237-Y261 AromaticContact CD1-CD2 3.61Å; Y237-Y261 HydrophobicContact CD1-CD2 3.61Å; Y237-Y261 HydrophobicContact CD1-CE2 4.1Å; Y237-Y261 HydrophobicContact CD1-CG 4.14Å; Y237-Y261 AromaticContact CE1-CD2 3.66Å; Y237-Y261 HydrophobicContact CE1-CD2 3.66Å; Y237-Y261 AromaticContact CE1-CE2 3.63Å; Y237-Y261 HydrophobicContact CE1-CE2 3.63Å; Y237-Y261 HydrophobicContact CE1-CG 4.41Å; Y237-Y261 HydrophobicContact CG-CD2 4.31Å; T259-Y261 HydrophobicContact CG2-CD2 3.82Å; T259-Y261 HydrophobicContact CG2-CE1 4.17Å; T259-Y261 HydrophobicContact CG2-CE2 3.31Å; T259-Y261 HydrophobicContact CG2-CG 4.42Å; Y261-Y285 AromaticContact CD1-CD2 3.57Å; Y261-Y285 HydrophobicContact CD1-CD2 3.57Å; Y261-Y285 HydrophobicContact CD1-CE2 4.04Å; Y261-Y285 HydrophobicContact CD1-CG 4.11Å; Y261-Y285 AromaticContact CE1-CD2 3.64Å; Y261-Y285 HydrophobicContact CE1-CD2 3.64Å; Y261-Y285 AromaticContact CE1-CE2 3.58Å; Y261-Y285 HydrophobicContact CE1-CE2 3.58Å; Y261-Y285 HydrophobicContact CE1-CG 4.39Å; Y261-Y285 HydrophobicContact CG-CD2 4.29Å; Y261-T286 PolarHBondContact O-OG1 2.98Å; Y261-T286 VanDerWaalsContact O-OG1 3.08Å
262	T	53.3	Low	60.1	Low	32 Å²	32	28 Å²	28	20%	0.196	15%	0.152	C	C	.	.	S	Bend	trans	-148.5	155.7	-175.5	25.7	0	0	0	0	111.5	Y237 T238 S260 S264 T286	Y237-T262 PolarHBondContact O-OG1 3.01Å; T238-T262 WeakPolarHBondContact CA-OG1 3.15Å; T238-T262 PolarHBondContact N-OG1 2.98Å; T238-T262 PolarHBondContact O-OG1 2.86Å; S260-T262 PolarHBondContact OG-O 2.96Å; T262-S264 PolarHBondContact O-N 2.96Å; T262-S264 VanDerWaalsContact O-N 3.08Å; T262-T286 WeakPolarHBondContact CA-OG1 3.19Å; T262-T286 PolarHBondContact N-OG1 2.93Å
263	P	46	Very low	60.5	Low	49 Å²	49	32.2 Å²	32.2	32%	0.318	17%	0.168	S	C	.	.			trans	-66.3	109.7	-167.9	26.2	-33.7	0	0	0	112.1	P239 P287	P239-P263 HydrophobicContact CB-CG 4.32Å; P239-P263 WeakPolarHBondContact CB-O 3.46Å; P263-P287 WeakPolarHBondContact CA-O 3.48Å; P263-P287 HydrophobicContact CB-CG 4.3Å; P263-P287 WeakPolarHBondContact CB-O 2.78Å
264	S	50.6	Low	60.3	Low	3 Å²	3	30.7 Å²	30.7	2%	0.021	16%	0.159	C	C	.	.			trans	-74.4	137.2	168.5	68	0	0	0	0	109.2	S240 T262 N266 S288 T289	S240-S264 WeakPolarHBondContact O-CA 3.21Å; T262-S264 PolarHBondContact O-N 2.96Å; T262-S264 VanDerWaalsContact O-N 3.08Å; S264-N266 PolarHBondContact O-N 3.11Å; S264-N266 PolarHBondContact OG-O 3.32Å; S264-S288 WeakPolarHBondContact O-CA 3.26Å; S264-T289 PolarHBondContact O-N 3.07Å
265	T	56.3	Low	59.8	Low	59 Å²	59	31.2 Å²	31.2	36%	0.362	17%	0.165	S	C	.	.	S	Bend	trans	-77.7	-10.4	171.5	59.8	0	0	0	0	112.3	S240 T241 T289 N290	S240-T265 PolarHBondContact O-N 3.08Å; S240-T265 VanDerWaalsContact O-N 3.11Å; T241-T265 WeakPolarHBondContact CA-OG1 2.82Å; T241-T265 PolarHBondContact O-OG1 3.08Å; T265-T289 WeakPolarHBondContact CA-OG1 3.41Å; T265-T289 PolarHBondContact O-OG1 3.23Å; T265-N290 WeakPolarHBondContact O-CB 2.97Å; T265-N290 PolarHBondContact O-ND2 2.98Å
266	N	55.2	Low	59.3	Low	37 Å²	37	30.5 Å²	30.5	20%	0.198	16%	0.16	C	C	.	.	S	Bend	trans	-127.3	159.7	-167.6	-78.9	15.1	0	0	0	112.4	T241 N242 P243 S264 N290	T241-N266 PolarHBondContact O-ND2 2.96Å; T241-N266 PolarHBondContact O-OD1 3.07Å; N242-N266 VanDerWaalsContact C-CB 3.43Å; N242-N266 WeakPolarHBondContact CA-ND2 3.18Å; N242-N266 PolarHBondContact OD1-ND2 3.25Å; P243-N266 HydrophobicContact CB-CB 4.41Å; S264-N266 PolarHBondContact O-N 3.11Å; S264-N266 PolarHBondContact OG-O 3.32Å; N266-N290 VanDerWaalsContact C-CB 3.42Å; N266-N290 WeakPolarHBondContact CA-ND2 3.5Å; N266-N290 PolarHBondContact OD1-ND2 2.94Å
267	P	60.8	Low	58.8	Low	22 Å²	22	33.4 Å²	33.4	14%	0.143	18%	0.178	C	C	.	.			trans	-66	154.9	-168.7	24.9	-32.9	0	0	0	112.6	P243 I244 E269 N290 P291	P243-P267 WeakPolarHBondContact CA-O 3.34Å; P243-P267 HydrophobicContact CB-CG 4.14Å; P243-P267 VanDerWaalsContact CB-O 3.22Å; P243-P267 WeakPolarHBondContact CB-O 3.47Å; I244-P267 PolarHBondContact N-O 2.84Å; P267-E269 HydrophobicContact CB-CG 4.33Å; P267-N290 HydrophobicContact CB-CB 4.43Å; P267-P291 WeakPolarHBondContact CA-O 3.03Å; P267-P291 HydrophobicContact CB-CG 4.1Å; P267-P291 WeakPolarHBondContact CB-O 3.17Å
268	I	66.3	Low	58.4	Low	2 Å²	2	32.4 Å²	32.4	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	115.5	165.5	-61.6	174.9	0	0	0	105.6	V258 V270 V282 P291 E293	V258-I268 HydrophobicContact CB-CG2 4.46Å; V258-I268 HydrophobicContact CG1-CG2 3.77Å; I268-V270 HydrophobicContact CG2-CG2 4.24Å; I268-V282 HydrophobicContact CG2-CG1 3.98Å; I268-P291 PolarHBondContact N-O 3.11Å; I268-E293 PolarHBondContact O-N 3.46Å
269	E	64.1	Low	58.1	Low	59 Å²	59	33.2 Å²	33.2	28%	0.276	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	114.2	179.6	-65.6	-176	-159.6	0	0	108.8	I244 E245 V246 P267 E293	I244-E269 PolarHBondContact O-N 2.79Å; E245-E269 HydrophobicContact CG-CB 4.42Å; V246-E269 PolarHBondContact N-O 3.18Å; P267-E269 HydrophobicContact CB-CG 4.33Å; E269-E293 WeakPolarHBondContact CA-O 3.4Å; E269-E293 HydrophobicContact CG-CB 4.39Å
270	V	66.9	Low	58	Low	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	109.5	172.3	-176.2	0	0	0	0	108.1	I256 V258 I268 I280 V282 E293 T295	I256-V270 HydrophobicContact CG2-CG1 3.94Å; V258-V270 HydrophobicContact CB-CG2 4.36Å; V258-V270 HydrophobicContact CG2-CG2 3.68Å; I268-V270 HydrophobicContact CG2-CG2 4.24Å; V270-I280 HydrophobicContact CB-CG2 4.44Å; V270-I280 HydrophobicContact CG1-CG2 3.76Å; V270-V282 HydrophobicContact CB-CG2 4.39Å; V270-V282 HydrophobicContact CG2-CG2 3.71Å; V270-E293 PolarHBondContact N-O 2.91Å; V270-T295 PolarHBondContact O-N 3.45Å
271	T	66.9	Low	58.1	Low	18 Å²	18	35.2 Å²	35.2	11%	0.11	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.2	179.8	-57.2	0	0	0	0	110.9	V246 S248 Y273 Y297	V246-T271 PolarHBondContact O-N 3.44Å; S248-T271 PolarHBondContact N-O 2.92Å; T271-Y273 HydrophobicContact CG2-CD2 3.84Å; T271-Y273 HydrophobicContact CG2-CE1 4.16Å; T271-Y273 HydrophobicContact CG2-CE2 3.32Å; T271-Y273 HydrophobicContact CG2-CG 4.45Å; T271-Y297 HydrophobicContact CG2-CD2 3.99Å; T271-Y297 HydrophobicContact CG2-CE2 3.68Å
272	S	61.7	Low	58.4	Low	2 Å²	2	30.7 Å²	30.7	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.9	172	-177.9	0	0	0	0	111	T274 T295 Y297	S272-T274 PolarHBondContact OG-O 2.95Å; S272-T295 PolarHBondContact N-O 2.86Å; S272-Y297 PolarHBondContact O-N 3.01Å
273	Y	59.7	Low	59	Low	92 Å²	92	30.1 Å²	30.1	36%	0.361	17%	0.167	S	C	.	.			trans	-88.9	-3.8	-178.6	-71.1	-81.3	0	0	0	114	T247 S248 Y249 T271 Y297 T298	T247-Y273 HydrophobicContact CG2-CD2 3.99Å; T247-Y273 HydrophobicContact CG2-CE2 3.7Å; S248-Y273 PolarHBondContact O-N 2.98Å; Y249-Y273 AromaticContact CD1-CD2 3.62Å; Y249-Y273 HydrophobicContact CD1-CD2 3.62Å; Y249-Y273 HydrophobicContact CD1-CE2 4.11Å; Y249-Y273 HydrophobicContact CD1-CG 4.14Å; Y249-Y273 AromaticContact CE1-CD2 3.67Å; Y249-Y273 HydrophobicContact CE1-CD2 3.67Å; Y249-Y273 AromaticContact CE1-CE2 3.64Å; Y249-Y273 HydrophobicContact CE1-CE2 3.64Å; Y249-Y273 HydrophobicContact CE1-CG 4.4Å; Y249-Y273 HydrophobicContact CG-CD2 4.34Å; T271-Y273 HydrophobicContact CG2-CD2 3.84Å; T271-Y273 HydrophobicContact CG2-CE1 4.16Å; T271-Y273 HydrophobicContact CG2-CE2 3.32Å; T271-Y273 HydrophobicContact CG2-CG 4.45Å; Y273-Y297 AromaticContact CD1-CD2 3.52Å; Y273-Y297 HydrophobicContact CD1-CD2 3.52Å; Y273-Y297 AromaticContact CD1-CE2 3.98Å; Y273-Y297 HydrophobicContact CD1-CE2 3.98Å; Y273-Y297 HydrophobicContact CD1-CG 4.12Å; Y273-Y297 AromaticContact CE1-CD2 3.59Å; Y273-Y297 HydrophobicContact CE1-CD2 3.59Å; Y273-Y297 AromaticContact CE1-CE2 3.51Å; Y273-Y297 HydrophobicContact CE1-CE2 3.51Å; Y273-Y297 HydrophobicContact CE1-CG 4.41Å; Y273-Y297 HydrophobicContact CG-CD2 4.25Å; Y273-T298 WeakPolarHBondContact O-CG2 3.34Å
274	T	53.2	Low	59.7	Low	29 Å²	29	28 Å²	28	18%	0.178	15%	0.153	C	C	.	.	S	Bend	trans	-151.8	153.3	-171.7	46.3	0	0	0	0	112.5	Y249 T250 S272 S276 T298	Y249-T274 VanDerWaalsContact O-CG2 3.29Å; Y249-T274 WeakPolarHBondContact O-CG2 3.48Å; Y249-T274 PolarHBondContact O-OG1 2.94Å; T250-T274 WeakPolarHBondContact CA-OG1 3.22Å; T250-T274 PolarHBondContact N-OG1 2.97Å; T250-T274 PolarHBondContact O-OG1 2.95Å; S272-T274 PolarHBondContact OG-O 2.95Å; T274-S276 PolarHBondContact O-N 2.94Å; T274-S276 VanDerWaalsContact O-N 3.11Å; T274-T298 WeakPolarHBondContact CA-OG1 3.37Å; T274-T298 PolarHBondContact N-OG1 3.08Å; T274-T298 PolarHBondContact O-OG1 3.06Å
275	P	46.3	Very low	60.2	Low	56 Å²	56	32.3 Å²	32.3	36%	0.364	17%	0.169	S	C	.	.			trans	-66.7	111.8	-161.4	22.9	-32.9	0	0	0	112.2	P251 P299	P251-P275 HydrophobicContact CB-CG 4.29Å; P251-P275 WeakPolarHBondContact CB-O 3.15Å; P275-P299 WeakPolarHBondContact CA-O 2.83Å; P275-P299 WeakPolarHBondContact CB-O 3.47Å
276	S	50.5	Low	60	Low	5 Å²	5	31.1 Å²	31.1	4%	0.035	16%	0.162	C	C	.	.			trans	-78.1	137.9	170.3	68.4	0	0	0	0	109.9	S252 T274 N278 S300 T301	S252-S276 WeakPolarHBondContact O-CA 3.42Å; T274-S276 PolarHBondContact O-N 2.94Å; T274-S276 VanDerWaalsContact O-N 3.11Å; S276-N278 PolarHBondContact O-N 2.61Å; S276-N278 PolarHBondContact OG-O 3.4Å; S276-S300 WeakPolarHBondContact O-CA 3.22Å; S276-T301 PolarHBondContact O-N 3.12Å; S276-T301 VanDerWaalsContact O-N 3.12Å
277	T	56.2	Low	59.5	Low	62 Å²	62	31.8 Å²	31.8	38%	0.38	17%	0.168	S	C	.	.	S	Bend	trans	-80.9	-1.3	170.8	60.1	0	0	0	0	112.6	S252 T253 T301 N302	S252-T277 PolarHBondContact O-N 3.24Å; T253-T277 VanDerWaalsContact CA-OG1 3.25Å; T253-T277 WeakPolarHBondContact CA-OG1 3.41Å; T253-T277 PolarHBondContact O-OG1 3.33Å; T277-T301 WeakPolarHBondContact CA-OG1 3.19Å; T277-T301 PolarHBondContact O-OG1 2.84Å; T277-T301 VanDerWaalsContact O-OG1 3.04Å; T277-N302 PolarHBondContact O-ND2 2.81Å
278	N	55.8	Low	59	Low	37 Å²	37	31 Å²	31	20%	0.198	16%	0.163	C	C	.	.	S	Bend	trans	-136.2	157.5	-168.1	-90.2	-35.6	0	0	0	113	T253 N254 P255 S276 N302	T253-N278 PolarHBondContact O-ND2 2.9Å; N254-N278 VanDerWaalsContact C-CB 3.44Å; N254-N278 WeakPolarHBondContact CA-ND2 3.3Å; N254-N278 PolarHBondContact OD1-ND2 2.96Å; N254-N278 VanDerWaalsContact OD1-ND2 3.1Å; P255-N278 HydrophobicContact CB-CB 4.42Å; S276-N278 PolarHBondContact O-N 2.61Å; S276-N278 PolarHBondContact OG-O 3.4Å; N278-N302 VanDerWaalsContact C-CB 3.48Å; N278-N302 WeakPolarHBondContact CA-ND2 3.36Å; N278-N302 PolarHBondContact OD1-ND2 3.4Å
279	P	59.9	Low	58.5	Low	18 Å²	18	34 Å²	34	12%	0.117	18%	0.182	C	C	.	.			trans	-65.9	154.9	-168.1	26.3	-33.3	0	0	0	112.2	P255 I256 E281 N302 P303	P255-P279 WeakPolarHBondContact CA-O 3.38Å; P255-P279 HydrophobicContact CB-CG 4.13Å; P255-P279 VanDerWaalsContact CB-O 3.24Å; P255-P279 WeakPolarHBondContact CB-O 3.25Å; I256-P279 PolarHBondContact N-O 2.65Å; P279-E281 HydrophobicContact CB-CG 4.29Å; P279-N302 HydrophobicContact CB-CB 4.4Å; P279-P303 WeakPolarHBondContact CA-O 3.27Å; P279-P303 HydrophobicContact CB-CG 4.16Å; P279-P303 WeakPolarHBondContact CB-O 3.28Å
280	I	65.9	Low	58.1	Low	3 Å²	3	33.2 Å²	33.2	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.4	165.2	-61.7	173.9	0	0	0	105.4	V270 V282 V294 P303 E305	V270-I280 HydrophobicContact CB-CG2 4.44Å; V270-I280 HydrophobicContact CG1-CG2 3.76Å; I280-V282 HydrophobicContact CG2-CG2 4.25Å; I280-V294 HydrophobicContact CG2-CG1 3.94Å; I280-P303 PolarHBondContact N-O 2.98Å; I280-E305 PolarHBondContact O-N 3.28Å
281	E	63.7	Low	57.8	Low	60 Å²	60	34.1 Å²	34.1	28%	0.28	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	114.4	-179.9	-65.5	-176.4	-159.6	0	0	108.7	I256 E257 V258 P279 E305	I256-E281 PolarHBondContact O-N 2.64Å; E257-E281 WeakPolarHBondContact CA-O 2.78Å; E257-E281 HydrophobicContact CG-CB 4.42Å; V258-E281 PolarHBondContact N-O 3.33Å; P279-E281 HydrophobicContact CB-CG 4.29Å; E281-E305 WeakPolarHBondContact CA-O 3.35Å; E281-E305 HydrophobicContact CG-CB 4.4Å
282	V	66.7	Low	57.8	Low	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	109.3	172.4	-175.8	0	0	0	0	108.1	I268 V270 I280 I292 V294 E305 T307	I268-V282 HydrophobicContact CG2-CG1 3.98Å; V270-V282 HydrophobicContact CB-CG2 4.39Å; V270-V282 HydrophobicContact CG2-CG2 3.71Å; I280-V282 HydrophobicContact CG2-CG2 4.25Å; V282-I292 HydrophobicContact CB-CG2 4.46Å; V282-I292 HydrophobicContact CG1-CG2 3.78Å; V282-V294 HydrophobicContact CB-CG2 4.38Å; V282-V294 HydrophobicContact CG2-CG2 3.69Å; V282-E305 PolarHBondContact N-O 2.96Å; V282-T307 PolarHBondContact O-N 3.4Å
283	T	66.6	Low	57.9	Low	20 Å²	20	36.1 Å²	36.1	12%	0.123	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.5	180	-58	0	0	0	0	110.9	V258 T259 S260 Y285 Y309	V258-T283 PolarHBondContact O-N 3.08Å; T259-T283 WeakPolarHBondContact CA-O 3.49Å; S260-T283 PolarHBondContact N-O 3.45Å; T283-Y285 HydrophobicContact CG2-CD2 3.86Å; T283-Y285 HydrophobicContact CG2-CE1 4.17Å; T283-Y285 HydrophobicContact CG2-CE2 3.34Å; T283-Y285 HydrophobicContact CG2-CG 4.47Å; T283-Y309 HydrophobicContact CG2-CD2 4.03Å; T283-Y309 HydrophobicContact CG2-CE2 3.71Å
284	S	61.1	Low	58.2	Low	3 Å²	3	31.8 Å²	31.8	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	115.5	173	-178.9	0	0	0	0	111	T286 T307 Y309	S284-T286 PolarHBondContact OG-O 3.29Å; S284-T286 VanDerWaalsContact OG-O 3.04Å; S284-T307 PolarHBondContact N-O 2.91Å; S284-Y309 PolarHBondContact O-N 3.25Å
285	Y	59.8	Low	58.8	Low	95 Å²	95	31.2 Å²	31.2	37%	0.373	17%	0.173	S	C	.	.			trans	-88.3	-4.8	-178.1	-70.6	-81.8	0	0	0	114	T259 S260 Y261 T283 Y309 T310	T259-Y285 HydrophobicContact CG2-CD2 4.02Å; T259-Y285 HydrophobicContact CG2-CE2 3.7Å; S260-Y285 PolarHBondContact O-N 3.21Å; Y261-Y285 AromaticContact CD1-CD2 3.57Å; Y261-Y285 HydrophobicContact CD1-CD2 3.57Å; Y261-Y285 HydrophobicContact CD1-CE2 4.04Å; Y261-Y285 HydrophobicContact CD1-CG 4.11Å; Y261-Y285 AromaticContact CE1-CD2 3.64Å; Y261-Y285 HydrophobicContact CE1-CD2 3.64Å; Y261-Y285 AromaticContact CE1-CE2 3.58Å; Y261-Y285 HydrophobicContact CE1-CE2 3.58Å; Y261-Y285 HydrophobicContact CE1-CG 4.39Å; Y261-Y285 HydrophobicContact CG-CD2 4.29Å; T283-Y285 HydrophobicContact CG2-CD2 3.86Å; T283-Y285 HydrophobicContact CG2-CE1 4.17Å; T283-Y285 HydrophobicContact CG2-CE2 3.34Å; T283-Y285 HydrophobicContact CG2-CG 4.47Å; Y285-Y309 AromaticContact CD1-CD2 3.57Å; Y285-Y309 HydrophobicContact CD1-CD2 3.57Å; Y285-Y309 HydrophobicContact CD1-CE2 4.03Å; Y285-Y309 HydrophobicContact CD1-CG 4.18Å; Y285-Y309 AromaticContact CE1-CD2 3.64Å; Y285-Y309 HydrophobicContact CE1-CD2 3.64Å; Y285-Y309 AromaticContact CE1-CE2 3.58Å; Y285-Y309 HydrophobicContact CE1-CE2 3.58Å; Y285-Y309 HydrophobicContact CE1-CG 4.46Å; Y285-Y309 HydrophobicContact CG-CD2 4.29Å; Y285-T310 WeakPolarHBondContact O-CG2 3.42Å; Y285-T310 PolarHBondContact O-OG1 3.17Å
286	T	52.8	Low	59.5	Low	33 Å²	33	28.7 Å²	28.7	20%	0.202	16%	0.156	C	C	.	.	S	Bend	trans	-152.4	151.4	-170.7	21.6	0	0	0	0	111.6	Y261 T262 S284 S288 T310	Y261-T286 PolarHBondContact O-OG1 2.98Å; Y261-T286 VanDerWaalsContact O-OG1 3.08Å; T262-T286 WeakPolarHBondContact CA-OG1 3.19Å; T262-T286 PolarHBondContact N-OG1 2.93Å; S284-T286 PolarHBondContact OG-O 3.29Å; S284-T286 VanDerWaalsContact OG-O 3.04Å; T286-S288 PolarHBondContact O-N 3.2Å; T286-S288 VanDerWaalsContact O-N 3.11Å; T286-T310 WeakPolarHBondContact CA-OG1 3.23Å; T286-T310 PolarHBondContact N-OG1 2.85Å; T286-T310 PolarHBondContact O-OG1 2.94Å
287	P	45.3	Very low	60	Low	51 Å²	51	32.7 Å²	32.7	33%	0.331	17%	0.171	S	C	.	.			trans	-66.4	111.5	-160.9	25	-33.7	0	0	0	112.2	P263 P311	P263-P287 WeakPolarHBondContact CA-O 3.48Å; P263-P287 HydrophobicContact CB-CG 4.3Å; P263-P287 WeakPolarHBondContact CB-O 2.78Å; P287-P311 HydrophobicContact CB-CG 4.46Å; P287-P311 WeakPolarHBondContact CB-O 3.49Å
288	S	50.4	Low	59.8	Low	5 Å²	5	31.1 Å²	31.1	4%	0.035	16%	0.162	C	C	.	.			trans	-75.8	137.4	169.1	67.1	0	0	0	0	109.6	S264 T286 N290 S312 T313	S264-S288 WeakPolarHBondContact O-CA 3.26Å; T286-S288 PolarHBondContact O-N 3.2Å; T286-S288 VanDerWaalsContact O-N 3.11Å; S288-N290 PolarHBondContact O-N 2.94Å; S288-N290 PolarHBondContact OG-O 2.94Å; S288-S312 WeakPolarHBondContact O-CA 3.49Å; S288-T313 PolarHBondContact O-N 3.2Å
289	T	56.1	Low	59.4	Low	66 Å²	66	32 Å²	32	41%	0.405	17%	0.169	S	C	.	.	S	Bend	trans	-81.7	-0.3	170.8	56.8	0	0	0	0	112.7	S264 T265 T313 N314	S264-T289 PolarHBondContact O-N 3.07Å; T265-T289 WeakPolarHBondContact CA-OG1 3.41Å; T265-T289 PolarHBondContact O-OG1 3.23Å; T289-T313 VanDerWaalsContact CA-OG1 3.26Å; T289-T313 WeakPolarHBondContact CA-OG1 3.32Å; T289-T313 PolarHBondContact O-OG1 2.82Å; T289-N314 PolarHBondContact O-ND2 3.49Å
290	N	55.7	Low	58.9	Low	43 Å²	43	31.2 Å²	31.2	23%	0.23	17%	0.165	C	C	.	.	S	Bend	trans	-135.4	157.9	-171.2	-93.6	-25.2	0	0	0	113	T265 N266 P267 S288 N314	T265-N290 WeakPolarHBondContact O-CB 2.97Å; T265-N290 PolarHBondContact O-ND2 2.98Å; N266-N290 VanDerWaalsContact C-CB 3.42Å; N266-N290 WeakPolarHBondContact CA-ND2 3.5Å; N266-N290 PolarHBondContact OD1-ND2 2.94Å; P267-N290 HydrophobicContact CB-CB 4.43Å; S288-N290 PolarHBondContact O-N 2.94Å; S288-N290 PolarHBondContact OG-O 2.94Å; N290-N314 VanDerWaalsContact C-CB 3.5Å; N290-N314 WeakPolarHBondContact CA-ND2 3.5Å; N290-N314 PolarHBondContact OD1-ND2 3.17Å
291	P	59.8	Low	58.4	Low	19 Å²	19	34 Å²	34	12%	0.123	18%	0.182	C	C	.	.			trans	-65.8	154.9	-167.9	25.6	-32.8	0	0	0	112.5	P267 I268 E293 N314 P315	P267-P291 WeakPolarHBondContact CA-O 3.03Å; P267-P291 HydrophobicContact CB-CG 4.1Å; P267-P291 WeakPolarHBondContact CB-O 3.17Å; I268-P291 PolarHBondContact N-O 3.11Å; P291-E293 HydrophobicContact CB-CG 4.36Å; P291-N314 HydrophobicContact CB-CB 4.43Å; P291-P315 WeakPolarHBondContact CA-O 3.47Å; P291-P315 HydrophobicContact CB-CG 4.12Å; P291-P315 VanDerWaalsContact CB-O 3.23Å; P291-P315 WeakPolarHBondContact CB-O 3.48Å
292	I	65.8	Low	58.1	Low	3 Å²	3	33 Å²	33	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.5	165.8	-62.2	173.9	0	0	0	105.6	V282 V294 V306 P315 E317	V282-I292 HydrophobicContact CB-CG2 4.46Å; V282-I292 HydrophobicContact CG1-CG2 3.78Å; I292-V294 HydrophobicContact CG2-CG2 4.25Å; I292-V306 HydrophobicContact CG2-CG1 3.97Å; I292-P315 PolarHBondContact N-O 3Å; I292-E317 PolarHBondContact O-N 3.37Å
293	E	63.8	Low	57.7	Low	59 Å²	59	34.1 Å²	34.1	28%	0.276	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.9	179.2	-64.9	-175	-161.1	0	0	108.9	I268 E269 V270 P291 E317	I268-E293 PolarHBondContact O-N 3.46Å; E269-E293 WeakPolarHBondContact CA-O 3.4Å; E269-E293 HydrophobicContact CG-CB 4.39Å; V270-E293 PolarHBondContact N-O 2.91Å; P291-E293 HydrophobicContact CB-CG 4.36Å; E293-E317 WeakPolarHBondContact CA-O 2.75Å; E293-E317 HydrophobicContact CG-CB 4.39Å
294	V	66.8	Low	57.7	Low	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	110.1	172.4	-176.4	0	0	0	0	108.2	I280 V282 I292 I304 V306 E317 T319	I280-V294 HydrophobicContact CG2-CG1 3.94Å; V282-V294 HydrophobicContact CB-CG2 4.38Å; V282-V294 HydrophobicContact CG2-CG2 3.69Å; I292-V294 HydrophobicContact CG2-CG2 4.25Å; V294-I304 HydrophobicContact CB-CG2 4.47Å; V294-I304 HydrophobicContact CG1-CG2 3.77Å; V294-V306 HydrophobicContact CB-CG2 4.39Å; V294-V306 HydrophobicContact CG2-CG2 3.71Å; V294-E317 PolarHBondContact N-O 2.91Å; V294-T319 PolarHBondContact O-N 3.21Å
295	T	66.6	Low	57.8	Low	18 Å²	18	36 Å²	36	11%	0.11	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120	-179.8	-60.2	0	0	0	0	111.4	V270 S272 Y297 Y321	V270-T295 PolarHBondContact O-N 3.45Å; S272-T295 PolarHBondContact N-O 2.86Å; T295-Y297 HydrophobicContact CG2-CD2 3.85Å; T295-Y297 HydrophobicContact CG2-CE1 4.1Å; T295-Y297 HydrophobicContact CG2-CE2 3.36Å; T295-Y297 HydrophobicContact CG2-CG 4.42Å; T295-Y297 VanDerWaalsContact CG2-CZ 3.49Å; T295-Y321 HydrophobicContact CG2-CD2 4.03Å; T295-Y321 HydrophobicContact CG2-CE2 3.7Å
296	S	61.3	Low	58.2	Low	2 Å²	2	31.4 Å²	31.4	1%	0.014	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115	173.8	168.1	0	0	0	0	110.4	T298 T319 Y321	S296-T298 PolarHBondContact OG-O 3.08Å; S296-T298 VanDerWaalsContact OG-O 3.08Å; S296-T319 PolarHBondContact N-O 3.17Å; S296-Y321 PolarHBondContact O-N 3.22Å
297	Y	59.7	Low	58.8	Low	89 Å²	89	30.7 Å²	30.7	35%	0.349	17%	0.17	S	C	.	.			trans	-91.1	-5.5	179.8	-71.2	-77.6	0	0	0	114.3	T271 S272 Y273 T295 Y321 T322	T271-Y297 HydrophobicContact CG2-CD2 3.99Å; T271-Y297 HydrophobicContact CG2-CE2 3.68Å; S272-Y297 PolarHBondContact O-N 3.01Å; Y273-Y297 AromaticContact CD1-CD2 3.52Å; Y273-Y297 HydrophobicContact CD1-CD2 3.52Å; Y273-Y297 AromaticContact CD1-CE2 3.98Å; Y273-Y297 HydrophobicContact CD1-CE2 3.98Å; Y273-Y297 HydrophobicContact CD1-CG 4.12Å; Y273-Y297 AromaticContact CE1-CD2 3.59Å; Y273-Y297 HydrophobicContact CE1-CD2 3.59Å; Y273-Y297 AromaticContact CE1-CE2 3.51Å; Y273-Y297 HydrophobicContact CE1-CE2 3.51Å; Y273-Y297 HydrophobicContact CE1-CG 4.41Å; Y273-Y297 HydrophobicContact CG-CD2 4.25Å; T295-Y297 HydrophobicContact CG2-CD2 3.85Å; T295-Y297 HydrophobicContact CG2-CE1 4.1Å; T295-Y297 HydrophobicContact CG2-CE2 3.36Å; T295-Y297 HydrophobicContact CG2-CG 4.42Å; T295-Y297 VanDerWaalsContact CG2-CZ 3.49Å; Y297-Y321 AromaticContact CD1-CD2 3.52Å; Y297-Y321 HydrophobicContact CD1-CD2 3.52Å; Y297-Y321 AromaticContact CD1-CE2 3.99Å; Y297-Y321 HydrophobicContact CD1-CE2 3.99Å; Y297-Y321 HydrophobicContact CD1-CG 4.02Å; Y297-Y321 AromaticContact CE1-CD2 3.58Å; Y297-Y321 HydrophobicContact CE1-CD2 3.58Å; Y297-Y321 AromaticContact CE1-CE2 3.52Å; Y297-Y321 HydrophobicContact CE1-CE2 3.52Å; Y297-Y321 HydrophobicContact CE1-CG 4.29Å; Y297-Y321 HydrophobicContact CG-CD2 4.29Å; Y297-T322 WeakPolarHBondContact O-CG2 3.01Å; Y297-T322 PolarHBondContact O-OG1 2.63Å
298	T	52.8	Low	59.6	Low	30 Å²	30	28.4 Å²	28.4	18%	0.184	16%	0.155	C	C	.	.	S	Bend	trans	-150.2	156.7	-173.8	47.7	0	0	0	0	112.9	Y273 T274 S296 S300 T322	Y273-T298 WeakPolarHBondContact O-CG2 3.34Å; T274-T298 WeakPolarHBondContact CA-OG1 3.37Å; T274-T298 PolarHBondContact N-OG1 3.08Å; T274-T298 PolarHBondContact O-OG1 3.06Å; S296-T298 PolarHBondContact OG-O 3.08Å; S296-T298 VanDerWaalsContact OG-O 3.08Å; T298-S300 PolarHBondContact O-N 3.23Å; T298-S300 VanDerWaalsContact O-N 3.08Å; T298-T322 WeakPolarHBondContact CA-OG1 3.41Å; T298-T322 PolarHBondContact N-OG1 3.24Å; T298-T322 PolarHBondContact O-OG1 2.87Å
299	P	46	Very low	60	Low	54 Å²	54	32.5 Å²	32.5	35%	0.351	17%	0.171	S	C	.	.			trans	-57.5	110.7	-167	-23.8	32.1	0	0	0	113.1	P275 T322 P323	P275-P299 WeakPolarHBondContact CA-O 2.83Å; P275-P299 WeakPolarHBondContact CB-O 3.47Å; P299-T322 VanDerWaalsContact N-OG1 3.09Å; P299-P323 WeakPolarHBondContact CB-O 3.32Å; P299-P323 HydrophobicContact CG-CG 4.45Å
300	S	50.9	Low	59.9	Low	3 Å²	3	30.9 Å²	30.9	2%	0.021	16%	0.161	C	C	.	.			trans	-79.6	135.4	166.2	70.5	0	0	0	0	109.1	S276 T298 N302 S324 T325	S276-S300 WeakPolarHBondContact O-CA 3.22Å; T298-S300 PolarHBondContact O-N 3.23Å; T298-S300 VanDerWaalsContact O-N 3.08Å; S300-N302 PolarHBondContact OG-O 3.04Å; S300-S324 WeakPolarHBondContact O-CA 3.18Å; S300-T325 PolarHBondContact O-N 3.13Å
301	T	55.9	Low	59.4	Low	61 Å²	61	31.4 Å²	31.4	37%	0.374	17%	0.167	S	C	.	.	S	Bend	trans	-78.6	-10.7	170.8	57.9	0	0	0	0	112.5	S276 T277 T325 N326	S276-T301 PolarHBondContact O-N 3.12Å; S276-T301 VanDerWaalsContact O-N 3.12Å; T277-T301 WeakPolarHBondContact CA-OG1 3.19Å; T277-T301 PolarHBondContact O-OG1 2.84Å; T277-T301 VanDerWaalsContact O-OG1 3.04Å; T301-T325 WeakPolarHBondContact CA-OG1 3.37Å; T301-T325 PolarHBondContact O-OG1 2.93Å; T301-N326 WeakPolarHBondContact O-CB 3.4Å; T301-N326 PolarHBondContact O-ND2 2.93Å
302	N	55.7	Low	59	Low	40 Å²	40	30.7 Å²	30.7	21%	0.214	16%	0.162	C	C	.	.	S	Bend	trans	-127.5	160.5	-169.5	-81.6	4.6	0	0	0	112.5	T277 N278 P279 S300 N326	T277-N302 PolarHBondContact O-ND2 2.81Å; N278-N302 VanDerWaalsContact C-CB 3.48Å; N278-N302 WeakPolarHBondContact CA-ND2 3.36Å; N278-N302 PolarHBondContact OD1-ND2 3.4Å; P279-N302 HydrophobicContact CB-CB 4.4Å; S300-N302 PolarHBondContact OG-O 3.04Å; N302-N326 VanDerWaalsContact C-CB 3.49Å; N302-N326 WeakPolarHBondContact CA-ND2 3.43Å; N302-N326 PolarHBondContact OD1-ND2 3.07Å; N302-N326 VanDerWaalsContact OD1-ND2 3.14Å
303	P	60.1	Low	58.5	Low	22 Å²	22	33.4 Å²	33.4	14%	0.143	18%	0.179	C	C	.	.			trans	-65.7	155.8	-168.9	25.5	-33.5	0	0	0	112.8	P279 I280 E305 P327	P279-P303 WeakPolarHBondContact CA-O 3.27Å; P279-P303 HydrophobicContact CB-CG 4.16Å; P279-P303 WeakPolarHBondContact CB-O 3.28Å; I280-P303 PolarHBondContact N-O 2.98Å; P303-E305 HydrophobicContact CB-CG 4.27Å; P303-E305 HydrophobicContact CG-CG 4.5Å; P303-P327 WeakPolarHBondContact CA-O 3.34Å; P303-P327 HydrophobicContact CB-CG 4.12Å; P303-P327 WeakPolarHBondContact CB-O 3.19Å
304	I	66	Low	58.1	Low	2 Å²	2	32.3 Å²	32.3	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.6	165.3	-60.9	174.7	0	0	0	105.5	V294 V306 V318 P327 E329	V294-I304 HydrophobicContact CB-CG2 4.47Å; V294-I304 HydrophobicContact CG1-CG2 3.77Å; I304-V306 HydrophobicContact CG2-CG2 4.28Å; I304-V318 HydrophobicContact CG2-CG1 3.95Å; I304-P327 PolarHBondContact N-O 2.91Å; I304-E329 PolarHBondContact O-N 2.91Å
305	E	63.8	Low	57.8	Low	60 Å²	60	33.4 Å²	33.4	28%	0.28	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	115.9	-179.5	-64.5	-175.6	-161.1	0	0	108.9	I280 E281 V282 P303 E329	I280-E305 PolarHBondContact O-N 3.28Å; E281-E305 WeakPolarHBondContact CA-O 3.35Å; E281-E305 HydrophobicContact CG-CB 4.4Å; V282-E305 PolarHBondContact N-O 2.96Å; P303-E305 HydrophobicContact CB-CG 4.27Å; P303-E305 HydrophobicContact CG-CG 4.5Å; E305-E329 WeakPolarHBondContact CA-O 3.24Å; E305-E329 HydrophobicContact CG-CB 4.38Å
306	V	67	Low	57.8	Low	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	110.6	173.3	-176.4	0	0	0	0	108.3	I292 V294 I304 I316 V318 E329 T331	I292-V306 HydrophobicContact CG2-CG1 3.97Å; V294-V306 HydrophobicContact CB-CG2 4.39Å; V294-V306 HydrophobicContact CG2-CG2 3.71Å; I304-V306 HydrophobicContact CG2-CG2 4.28Å; V306-I316 HydrophobicContact CB-CG2 4.49Å; V306-I316 HydrophobicContact CG1-CG2 3.77Å; V306-V318 HydrophobicContact CB-CG2 4.37Å; V306-V318 HydrophobicContact CG2-CG2 3.7Å; V306-E329 PolarHBondContact N-O 2.91Å; V306-T331 PolarHBondContact O-N 2.88Å
307	T	66.6	Low	57.9	Low	18 Å²	18	35.4 Å²	35.4	11%	0.11	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.6	-178.8	-59.7	0	0	0	0	111.1	V282 S284 Y309 T331 Y333	V282-T307 PolarHBondContact O-N 3.4Å; S284-T307 PolarHBondContact N-O 2.91Å; T307-Y309 HydrophobicContact CG2-CD2 3.89Å; T307-Y309 HydrophobicContact CG2-CE1 4.08Å; T307-Y309 HydrophobicContact CG2-CE2 3.38Å; T307-Y309 HydrophobicContact CG2-CG 4.44Å; T307-Y309 VanDerWaalsContact CG2-CZ 3.48Å; T307-T331 WeakPolarHBondContact CA-O 3.37Å; T307-Y333 HydrophobicContact CG2-CD2 4.06Å; T307-Y333 HydrophobicContact CG2-CE2 3.7Å
308	S	61.2	Low	58.3	Low	2 Å²	2	31.1 Å²	31.1	1%	0.014	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117	172.1	77.2	0	0	0	0	110.7	T331 S332 Y333	S308-T331 PolarHBondContact N-O 2.99Å; S308-S332 PolarHBondContact OG-OG 3.13Å; S308-S332 VanDerWaalsContact OG-OG 3.05Å; S308-Y333 PolarHBondContact O-N 3.41Å
309	Y	59.5	Low	59	Low	91 Å²	91	30.6 Å²	30.6	36%	0.357	17%	0.17	S	C	.	.			trans	-90.8	-4.5	-178.9	-71.2	-78.2	0	0	0	114.6	T283 S284 Y285 T307 Y333 T334	T283-Y309 HydrophobicContact CG2-CD2 4.03Å; T283-Y309 HydrophobicContact CG2-CE2 3.71Å; S284-Y309 PolarHBondContact O-N 3.25Å; Y285-Y309 AromaticContact CD1-CD2 3.57Å; Y285-Y309 HydrophobicContact CD1-CD2 3.57Å; Y285-Y309 HydrophobicContact CD1-CE2 4.03Å; Y285-Y309 HydrophobicContact CD1-CG 4.18Å; Y285-Y309 AromaticContact CE1-CD2 3.64Å; Y285-Y309 HydrophobicContact CE1-CD2 3.64Å; Y285-Y309 AromaticContact CE1-CE2 3.58Å; Y285-Y309 HydrophobicContact CE1-CE2 3.58Å; Y285-Y309 HydrophobicContact CE1-CG 4.46Å; Y285-Y309 HydrophobicContact CG-CD2 4.29Å; T307-Y309 HydrophobicContact CG2-CD2 3.89Å; T307-Y309 HydrophobicContact CG2-CE1 4.08Å; T307-Y309 HydrophobicContact CG2-CE2 3.38Å; T307-Y309 HydrophobicContact CG2-CG 4.44Å; T307-Y309 VanDerWaalsContact CG2-CZ 3.48Å; Y309-Y333 AromaticContact CD1-CD2 3.41Å; Y309-Y333 HydrophobicContact CD1-CD2 3.41Å; Y309-Y333 VanDerWaalsContact CD1-CD2 3.41Å; Y309-Y333 AromaticContact CD1-CE2 3.83Å; Y309-Y333 HydrophobicContact CD1-CE2 3.83Å; Y309-Y333 HydrophobicContact CD1-CG 4.04Å; Y309-Y333 AromaticContact CE1-CD2 3.5Å; Y309-Y333 HydrophobicContact CE1-CD2 3.5Å; Y309-Y333 VanDerWaalsContact CE1-CD2 3.5Å; Y309-Y333 AromaticContact CE1-CE2 3.37Å; Y309-Y333 HydrophobicContact CE1-CE2 3.37Å; Y309-Y333 HydrophobicContact CE1-CG 4.33Å; Y309-Y333 HydrophobicContact CG-CD2 4.2Å; Y309-T334 WeakPolarHBondContact O-CG2 3.32Å; Y309-T334 PolarHBondContact O-OG1 2.97Å
310	T	52.8	Low	59.8	Low	32 Å²	32	28 Å²	28	20%	0.196	15%	0.153	C	C	.	.	S	Bend	trans	-148.3	155.4	-174.1	43.9	0	0	0	0	111.7	Y285 T286 S312 T334	Y285-T310 WeakPolarHBondContact O-CG2 3.42Å; Y285-T310 PolarHBondContact O-OG1 3.17Å; T286-T310 WeakPolarHBondContact CA-OG1 3.23Å; T286-T310 PolarHBondContact N-OG1 2.85Å; T286-T310 PolarHBondContact O-OG1 2.94Å; T310-S312 PolarHBondContact O-N 2.94Å; T310-S312 VanDerWaalsContact O-N 3.13Å; T310-T334 WeakPolarHBondContact CA-OG1 3.26Å; T310-T334 PolarHBondContact N-OG1 2.94Å; T310-T334 PolarHBondContact O-OG1 2.99Å
311	P	45.8	Very low	60.2	Low	55 Å²	55	32.2 Å²	32.2	36%	0.357	17%	0.169	S	C	.	.			trans	-67.3	111.7	-163.6	24.2	-33.4	0	0	0	112.2	P287 T334 P335	P287-P311 HydrophobicContact CB-CG 4.46Å; P287-P311 WeakPolarHBondContact CB-O 3.49Å; P311-T334 VanDerWaalsContact N-OG1 3.08Å; P311-P335 HydrophobicContact CB-CG 4.34Å; P311-P335 WeakPolarHBondContact CB-O 3.16Å
312	S	50.8	Low	60.1	Low	4 Å²	4	30.8 Å²	30.8	3%	0.028	16%	0.16	C	C	.	.			trans	-76.6	138.5	170.3	70.7	0	0	0	0	109.9	S288 T310 N314 S336 T337	S288-S312 WeakPolarHBondContact O-CA 3.49Å; T310-S312 PolarHBondContact O-N 2.94Å; T310-S312 VanDerWaalsContact O-N 3.13Å; S312-N314 PolarHBondContact OG-O 2.92Å; S312-S336 WeakPolarHBondContact O-CA 3.25Å; S312-T337 PolarHBondContact O-N 3.03Å; S312-T337 VanDerWaalsContact O-N 3.17Å
313	T	55.9	Low	59.7	Low	60 Å²	60	31.4 Å²	31.4	37%	0.368	17%	0.166	S	C	.	.	S	Bend	trans	-79.7	-11.1	170.7	56	0	0	0	0	112.6	S288 T289 T337 N338	S288-T313 PolarHBondContact O-N 3.2Å; T289-T313 VanDerWaalsContact CA-OG1 3.26Å; T289-T313 WeakPolarHBondContact CA-OG1 3.32Å; T289-T313 PolarHBondContact O-OG1 2.82Å; T313-T337 WeakPolarHBondContact CA-OG1 3.27Å; T313-T337 PolarHBondContact O-OG1 3.09Å; T313-N338 WeakPolarHBondContact O-CB 3.22Å; T313-N338 PolarHBondContact O-ND2 3.23Å
314	N	55.6	Low	59.3	Low	36 Å²	36	30.5 Å²	30.5	19%	0.193	16%	0.161	C	C	.	.	S	Bend	trans	-127.4	160.4	-167.7	-81.3	8.2	0	0	0	112.8	T289 N290 P291 S312 N338	T289-N314 PolarHBondContact O-ND2 3.49Å; N290-N314 VanDerWaalsContact C-CB 3.5Å; N290-N314 WeakPolarHBondContact CA-ND2 3.5Å; N290-N314 PolarHBondContact OD1-ND2 3.17Å; P291-N314 HydrophobicContact CB-CB 4.43Å; S312-N314 PolarHBondContact OG-O 2.92Å; N314-N338 WeakPolarHBondContact CA-ND2 3.23Å; N314-N338 PolarHBondContact OD1-ND2 3.1Å; N314-N338 VanDerWaalsContact OD1-ND2 3.17Å
315	P	60.6	Low	58.8	Low	23 Å²	23	33.5 Å²	33.5	15%	0.149	18%	0.179	C	C	.	.			trans	-66.4	154.9	-169.1	25.7	-33.3	0	0	0	112.8	P291 I292 E317 P339	P291-P315 WeakPolarHBondContact CA-O 3.47Å; P291-P315 HydrophobicContact CB-CG 4.12Å; P291-P315 VanDerWaalsContact CB-O 3.23Å; P291-P315 WeakPolarHBondContact CB-O 3.48Å; I292-P315 PolarHBondContact N-O 3Å; P315-E317 HydrophobicContact CB-CG 4.32Å; P315-P339 WeakPolarHBondContact CA-O 3.4Å; P315-P339 HydrophobicContact CB-CG 4.12Å; P315-P339 WeakPolarHBondContact CB-O 3.33Å
316	I	66.1	Low	58.5	Low	2 Å²	2	32.6 Å²	32.6	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	115.7	165.7	-60.9	174.9	0	0	0	105.6	V306 V318 V330 P339 E341	V306-I316 HydrophobicContact CB-CG2 4.49Å; V306-I316 HydrophobicContact CG1-CG2 3.77Å; I316-V318 HydrophobicContact CG2-CG2 4.29Å; I316-V330 HydrophobicContact CG2-CG1 3.97Å; I316-P339 PolarHBondContact N-O 2.95Å; I316-E341 PolarHBondContact O-N 3.17Å
317	E	64.1	Low	58.2	Low	59 Å²	59	33.6 Å²	33.6	28%	0.276	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.2	179.9	-63.9	-174.6	-162.1	0	0	109.1	I292 E293 V294 P315 E341	I292-E317 PolarHBondContact O-N 3.37Å; E293-E317 WeakPolarHBondContact CA-O 2.75Å; E293-E317 HydrophobicContact CG-CB 4.39Å; V294-E317 PolarHBondContact N-O 2.91Å; P315-E317 HydrophobicContact CB-CG 4.32Å; E317-E341 WeakPolarHBondContact CA-O 3.41Å; E317-E341 HydrophobicContact CG-CB 4.38Å
318	V	67.6	Low	58.2	Low	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	110.2	172.6	-176.8	0	0	0	0	108.2	I304 V306 I316 I328 V330 E341 T343	I304-V318 HydrophobicContact CG2-CG1 3.95Å; V306-V318 HydrophobicContact CB-CG2 4.37Å; V306-V318 HydrophobicContact CG2-CG2 3.7Å; I316-V318 HydrophobicContact CG2-CG2 4.29Å; V318-I328 HydrophobicContact CB-CG2 4.49Å; V318-I328 HydrophobicContact CG1-CG2 3.79Å; V318-V330 HydrophobicContact CB-CG2 4.39Å; V318-V330 HydrophobicContact CG2-CG2 3.71Å; V318-E341 PolarHBondContact N-O 3.15Å; V318-T343 PolarHBondContact O-N 3.16Å
319	T	67.5	Low	58.3	Low	19 Å²	19	35.5 Å²	35.5	12%	0.117	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.3	180	-58	0	0	0	0	111.1	V294 S296 Y321 T343 Y345	V294-T319 PolarHBondContact O-N 3.21Å; S296-T319 PolarHBondContact N-O 3.17Å; T319-Y321 HydrophobicContact CG2-CD2 3.84Å; T319-Y321 HydrophobicContact CG2-CE1 4.22Å; T319-Y321 HydrophobicContact CG2-CE2 3.32Å; T319-Y321 HydrophobicContact CG2-CG 4.48Å; T319-T343 WeakPolarHBondContact CA-O 3.37Å; T319-Y345 HydrophobicContact CG2-CD2 4.06Å; T319-Y345 HydrophobicContact CG2-CE2 3.69Å
320	S	61.8	Low	58.7	Low	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.7	172.2	-178.3	0	0	0	0	111.2	T322 T343 Y345	S320-T322 PolarHBondContact OG-O 2.63Å; S320-T343 PolarHBondContact N-O 2.82Å; S320-Y345 PolarHBondContact O-N 2.93Å
321	Y	60.1	Low	59.4	Low	91 Å²	91	30.6 Å²	30.6	36%	0.357	17%	0.169	S	C	.	.			trans	-89.4	-4.3	-178.4	-71	-83.1	0	0	0	114	T295 S296 Y297 T319 Y345 T346	T295-Y321 HydrophobicContact CG2-CD2 4.03Å; T295-Y321 HydrophobicContact CG2-CE2 3.7Å; S296-Y321 PolarHBondContact O-N 3.22Å; Y297-Y321 AromaticContact CD1-CD2 3.52Å; Y297-Y321 HydrophobicContact CD1-CD2 3.52Å; Y297-Y321 AromaticContact CD1-CE2 3.99Å; Y297-Y321 HydrophobicContact CD1-CE2 3.99Å; Y297-Y321 HydrophobicContact CD1-CG 4.02Å; Y297-Y321 AromaticContact CE1-CD2 3.58Å; Y297-Y321 HydrophobicContact CE1-CD2 3.58Å; Y297-Y321 AromaticContact CE1-CE2 3.52Å; Y297-Y321 HydrophobicContact CE1-CE2 3.52Å; Y297-Y321 HydrophobicContact CE1-CG 4.29Å; Y297-Y321 HydrophobicContact CG-CD2 4.29Å; T319-Y321 HydrophobicContact CG2-CD2 3.84Å; T319-Y321 HydrophobicContact CG2-CE1 4.22Å; T319-Y321 HydrophobicContact CG2-CE2 3.32Å; T319-Y321 HydrophobicContact CG2-CG 4.48Å; Y321-Y345 AromaticContact CD1-CD2 3.49Å; Y321-Y345 HydrophobicContact CD1-CD2 3.49Å; Y321-Y345 VanDerWaalsContact CD1-CD2 3.49Å; Y321-Y345 AromaticContact CD1-CE2 3.9Å; Y321-Y345 HydrophobicContact CD1-CE2 3.9Å; Y321-Y345 HydrophobicContact CD1-CG 4.12Å; Y321-Y345 AromaticContact CE1-CD2 3.61Å; Y321-Y345 HydrophobicContact CE1-CD2 3.61Å; Y321-Y345 AromaticContact CE1-CE2 3.47Å; Y321-Y345 HydrophobicContact CE1-CE2 3.47Å; Y321-Y345 VanDerWaalsContact CE1-CE2 3.47Å; Y321-Y345 HydrophobicContact CE1-CG 4.44Å; Y321-Y345 HydrophobicContact CG-CD2 4.17Å; Y321-T346 WeakPolarHBondContact O-CG2 3.36Å
322	T	54.2	Low	60.2	Low	30 Å²	30	28 Å²	28	18%	0.184	15%	0.153	C	C	.	.	S	Bend	trans	-151	153.6	-171.8	45.7	0	0	0	0	112.1	Y297 T298 P299 S320 S324 T346	Y297-T322 WeakPolarHBondContact O-CG2 3.01Å; Y297-T322 PolarHBondContact O-OG1 2.63Å; T298-T322 WeakPolarHBondContact CA-OG1 3.41Å; T298-T322 PolarHBondContact N-OG1 3.24Å; T298-T322 PolarHBondContact O-OG1 2.87Å; P299-T322 VanDerWaalsContact N-OG1 3.09Å; S320-T322 PolarHBondContact OG-O 2.63Å; T322-S324 PolarHBondContact O-N 2.96Å; T322-S324 VanDerWaalsContact O-N 3.11Å; T322-T346 WeakPolarHBondContact CA-OG1 2.99Å; T322-T346 PolarHBondContact N-OG1 3.17Å; T322-T346 PolarHBondContact O-OG1 2.63Å
323	P	46.9	Very low	60.7	Low	53 Å²	53	32 Å²	32	34%	0.344	17%	0.168	S	C	.	.			trans	-66.6	114	-162.6	23.3	-33.3	0	0	0	111.5	P299 T346 P347	P299-P323 WeakPolarHBondContact CB-O 3.32Å; P299-P323 HydrophobicContact CG-CG 4.45Å; P323-T346 WeakPolarHBondContact CD-OG1 3.28Å; P323-P347 HydrophobicContact CB-CG 4.39Å; P323-P347 WeakPolarHBondContact CB-O 3.06Å
324	S	51.6	Low	60.6	Low	3 Å²	3	30.7 Å²	30.7	2%	0.021	16%	0.16	C	C	.	.			trans	-78.2	137.3	169.2	68.9	0	0	0	0	109.5	S300 T322 N326 S348 T349	S300-S324 WeakPolarHBondContact O-CA 3.18Å; T322-S324 PolarHBondContact O-N 2.96Å; T322-S324 VanDerWaalsContact O-N 3.11Å; S324-N326 PolarHBondContact O-N 2.93Å; S324-N326 PolarHBondContact OG-O 2.96Å; S324-S348 WeakPolarHBondContact O-CA 2.91Å; S324-T349 PolarHBondContact O-N 2.93Å
325	T	56.5	Low	60.2	Low	65 Å²	65	31.4 Å²	31.4	40%	0.399	17%	0.167	S	C	.	.	S	Bend	trans	-79.7	-5.8	170.8	53.9	0	0	0	0	112.6	S300 T301 T349 N350	S300-T325 PolarHBondContact O-N 3.13Å; T301-T325 WeakPolarHBondContact CA-OG1 3.37Å; T301-T325 PolarHBondContact O-OG1 2.93Å; T325-T349 VanDerWaalsContact CA-OG1 3.25Å; T325-T349 WeakPolarHBondContact CA-OG1 2.76Å; T325-T349 PolarHBondContact O-OG1 2.94Å; T325-N350 PolarHBondContact O-ND2 2.82Å
326	N	56.3	Low	59.8	Low	42 Å²	42	30.5 Å²	30.5	23%	0.225	16%	0.161	C	C	.	.	S	Bend	trans	-132.7	159.7	-169.3	-90.7	-17.4	0	0	0	113	T301 N302 S324 N350	T301-N326 WeakPolarHBondContact O-CB 3.4Å; T301-N326 PolarHBondContact O-ND2 2.93Å; N302-N326 VanDerWaalsContact C-CB 3.49Å; N302-N326 WeakPolarHBondContact CA-ND2 3.43Å; N302-N326 PolarHBondContact OD1-ND2 3.07Å; N302-N326 VanDerWaalsContact OD1-ND2 3.14Å; S324-N326 PolarHBondContact O-N 2.93Å; S324-N326 PolarHBondContact OG-O 2.96Å; N326-N350 PolarHBondContact OD1-ND2 3.35Å
327	P	60.4	Low	59.4	Low	20 Å²	20	33.5 Å²	33.5	13%	0.13	18%	0.179	C	C	.	.			trans	-66.3	155.1	-167.7	25.7	-32.8	0	0	0	112.8	P303 I304 E329 P351	P303-P327 WeakPolarHBondContact CA-O 3.34Å; P303-P327 HydrophobicContact CB-CG 4.12Å; P303-P327 WeakPolarHBondContact CB-O 3.19Å; I304-P327 PolarHBondContact N-O 2.91Å; P327-E329 HydrophobicContact CB-CG 4.32Å; P327-P351 WeakPolarHBondContact CA-O 3.01Å; P327-P351 HydrophobicContact CB-CG 4.16Å; P327-P351 WeakPolarHBondContact CB-O 3.45Å
328	I	66.6	Low	59	Low	2 Å²	2	32.7 Å²	32.7	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.1	165.6	-61.6	173	0	0	0	105.5	V318 V330 V342 P351 E353	V318-I328 HydrophobicContact CB-CG2 4.49Å; V318-I328 HydrophobicContact CG1-CG2 3.79Å; I328-V330 HydrophobicContact CG2-CG2 4.27Å; I328-V342 HydrophobicContact CG2-CG1 3.97Å; I328-P351 PolarHBondContact N-O 3.22Å; I328-E353 PolarHBondContact O-N 3.15Å
329	E	64.6	Low	58.7	Low	59 Å²	59	33.7 Å²	33.7	28%	0.276	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115.3	-180	-63.9	-174.7	-162.5	0	0	109	I304 E305 V306 P327 E353	I304-E329 PolarHBondContact O-N 2.91Å; E305-E329 WeakPolarHBondContact CA-O 3.24Å; E305-E329 HydrophobicContact CG-CB 4.38Å; V306-E329 PolarHBondContact N-O 2.91Å; P327-E329 HydrophobicContact CB-CG 4.32Å; E329-E353 WeakPolarHBondContact CA-O 3.26Å; E329-E353 HydrophobicContact CG-CB 4.39Å
330	V	67.9	Low	58.7	Low	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	110.8	172.9	-177	0	0	0	0	108.2	I316 V318 I328 I340 V342 E353 T355	I316-V330 HydrophobicContact CG2-CG1 3.97Å; V318-V330 HydrophobicContact CB-CG2 4.39Å; V318-V330 HydrophobicContact CG2-CG2 3.71Å; I328-V330 HydrophobicContact CG2-CG2 4.27Å; V330-I340 HydrophobicContact CG1-CG2 3.79Å; V330-V342 HydrophobicContact CB-CG2 4.4Å; V330-V342 HydrophobicContact CG2-CG2 3.72Å; V330-E353 PolarHBondContact N-O 2.93Å; V330-T355 PolarHBondContact O-N 3.32Å
331	T	67.5	Low	58.8	Low	19 Å²	19	35.7 Å²	35.7	12%	0.117	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.2	-178.6	-60	0	0	0	0	111.1	V306 T307 S308 Y333 T355 Y357	V306-T331 PolarHBondContact O-N 2.88Å; T307-T331 WeakPolarHBondContact CA-O 3.37Å; S308-T331 PolarHBondContact N-O 2.99Å; T331-Y333 HydrophobicContact CG2-CD2 3.92Å; T331-Y333 HydrophobicContact CG2-CE1 4.14Å; T331-Y333 HydrophobicContact CG2-CE2 3.4Å; T331-Y333 HydrophobicContact CG2-CG 4.49Å; T331-T355 WeakPolarHBondContact CA-O 3.26Å; T331-Y357 HydrophobicContact CG2-CD2 4.16Å; T331-Y357 HydrophobicContact CG2-CE2 3.73Å
332	S	62.2	Low	59.2	Low	1 Å²	1	31.4 Å²	31.4	1%	0.007	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	117	173.2	-168.5	0	0	0	0	111.5	S308 T334 T355 Y357	S308-S332 PolarHBondContact OG-OG 3.13Å; S308-S332 VanDerWaalsContact OG-OG 3.05Å; S332-T334 PolarHBondContact OG-O 2.92Å; S332-T355 PolarHBondContact N-O 2.63Å; S332-Y357 PolarHBondContact O-N 2.74Å
333	Y	61	Low	59.9	Low	89 Å²	89	31 Å²	31	35%	0.349	17%	0.172	S	C	.	.			trans	-89.6	-4	-177	-71	-78.9	0	0	0	114.5	T307 S308 Y309 T331 Y357	T307-Y333 HydrophobicContact CG2-CD2 4.06Å; T307-Y333 HydrophobicContact CG2-CE2 3.7Å; S308-Y333 PolarHBondContact O-N 3.41Å; Y309-Y333 AromaticContact CD1-CD2 3.41Å; Y309-Y333 HydrophobicContact CD1-CD2 3.41Å; Y309-Y333 VanDerWaalsContact CD1-CD2 3.41Å; Y309-Y333 AromaticContact CD1-CE2 3.83Å; Y309-Y333 HydrophobicContact CD1-CE2 3.83Å; Y309-Y333 HydrophobicContact CD1-CG 4.04Å; Y309-Y333 AromaticContact CE1-CD2 3.5Å; Y309-Y333 HydrophobicContact CE1-CD2 3.5Å; Y309-Y333 VanDerWaalsContact CE1-CD2 3.5Å; Y309-Y333 AromaticContact CE1-CE2 3.37Å; Y309-Y333 HydrophobicContact CE1-CE2 3.37Å; Y309-Y333 HydrophobicContact CE1-CG 4.33Å; Y309-Y333 HydrophobicContact CG-CD2 4.2Å; T331-Y333 HydrophobicContact CG2-CD2 3.92Å; T331-Y333 HydrophobicContact CG2-CE1 4.14Å; T331-Y333 HydrophobicContact CG2-CE2 3.4Å; T331-Y333 HydrophobicContact CG2-CG 4.49Å; Y333-Y357 AromaticContact CD1-CD2 3.41Å; Y333-Y357 HydrophobicContact CD1-CD2 3.41Å; Y333-Y357 VanDerWaalsContact CD1-CD2 3.41Å; Y333-Y357 AromaticContact CD1-CE2 3.76Å; Y333-Y357 HydrophobicContact CD1-CE2 3.76Å; Y333-Y357 HydrophobicContact CD1-CG 4.03Å; Y333-Y357 AromaticContact CE1-CD2 3.57Å; Y333-Y357 HydrophobicContact CE1-CD2 3.57Å; Y333-Y357 AromaticContact CE1-CE2 3.36Å; Y333-Y357 HydrophobicContact CE1-CE2 3.36Å; Y333-Y357 HydrophobicContact CE1-CG 4.39Å; Y333-Y357 HydrophobicContact CG-CD2 4.16Å
334	T	54.4	Low	60.6	Low	31 Å²	31	28.5 Å²	28.5	19%	0.19	16%	0.156	C	C	.	.	S	Bend	trans	-152.5	151.4	-170.3	41.9	0	0	0	0	111.5	Y309 T310 P311 S332 S336 T358	Y309-T334 WeakPolarHBondContact O-CG2 3.32Å; Y309-T334 PolarHBondContact O-OG1 2.97Å; T310-T334 WeakPolarHBondContact CA-OG1 3.26Å; T310-T334 PolarHBondContact N-OG1 2.94Å; T310-T334 PolarHBondContact O-OG1 2.99Å; P311-T334 VanDerWaalsContact N-OG1 3.08Å; S332-T334 PolarHBondContact OG-O 2.92Å; T334-S336 PolarHBondContact O-N 3.33Å; T334-T358 WeakPolarHBondContact CA-OG1 3.19Å; T334-T358 PolarHBondContact N-OG1 2.97Å; T334-T358 PolarHBondContact O-OG1 3.25Å
335	P	47.3	Very low	61.1	Low	52 Å²	52	32.6 Å²	32.6	34%	0.338	17%	0.172	S	C	.	.			trans	-66.6	115.6	-162	26	-35.2	0	0	0	112.3	P311 P359	P311-P335 HydrophobicContact CB-CG 4.34Å; P311-P335 WeakPolarHBondContact CB-O 3.16Å; P335-P359 HydrophobicContact CB-CG 4.42Å; P335-P359 WeakPolarHBondContact CB-O 3.25Å
336	S	52.2	Low	61	Low	4 Å²	4	31 Å²	31	3%	0.028	16%	0.162	C	C	.	.			trans	-78.2	139.3	169.3	73.9	0	0	0	0	110	S312 T334 N338 S360 T361	S312-S336 WeakPolarHBondContact O-CA 3.25Å; T334-S336 PolarHBondContact O-N 3.33Å; S336-N338 PolarHBondContact OG-O 2.91Å; S336-S360 WeakPolarHBondContact O-CA 3.36Å; S336-T361 PolarHBondContact O-N 3.03Å
337	T	56.6	Low	60.6	Low	64 Å²	64	31.8 Å²	31.8	39%	0.393	17%	0.169	S	C	.	.	S	Bend	trans	-82.6	-2.4	170.4	56	0	0	0	0	112.9	S312 T313 T361 N362	S312-T337 PolarHBondContact O-N 3.03Å; S312-T337 VanDerWaalsContact O-N 3.17Å; T313-T337 WeakPolarHBondContact CA-OG1 3.27Å; T313-T337 PolarHBondContact O-OG1 3.09Å; T337-T361 VanDerWaalsContact CA-OG1 3.25Å; T337-T361 WeakPolarHBondContact CA-OG1 3.29Å; T337-T361 PolarHBondContact O-OG1 3.3Å; T337-T361 VanDerWaalsContact O-OG1 3.13Å; T337-N362 VanDerWaalsContact O-CG 3.28Å; T337-N362 PolarHBondContact O-ND2 3.17Å
338	N	57	Low	60.3	Low	42 Å²	42	31 Å²	31	23%	0.225	16%	0.164	C	C	.	.	S	Bend	trans	-136.4	159.6	-169.8	-91	-17.7	0	0	0	112.5	T313 N314 S336 N362	T313-N338 WeakPolarHBondContact O-CB 3.22Å; T313-N338 PolarHBondContact O-ND2 3.23Å; N314-N338 WeakPolarHBondContact CA-ND2 3.23Å; N314-N338 PolarHBondContact OD1-ND2 3.1Å; N314-N338 VanDerWaalsContact OD1-ND2 3.17Å; S336-N338 PolarHBondContact OG-O 2.91Å; N338-N362 PolarHBondContact OD1-ND2 2.88Å
339	P	60.8	Low	59.8	Low	22 Å²	22	33.9 Å²	33.9	14%	0.143	18%	0.182	C	C	.	.			trans	-66.3	154.3	-167.3	25.4	-32.9	0	0	0	113	P315 I316 E341 P363	P315-P339 WeakPolarHBondContact CA-O 3.4Å; P315-P339 HydrophobicContact CB-CG 4.12Å; P315-P339 WeakPolarHBondContact CB-O 3.33Å; I316-P339 PolarHBondContact N-O 2.95Å; P339-E341 HydrophobicContact CB-CG 4.33Å; P339-P363 WeakPolarHBondContact CA-O 3.21Å; P339-P363 HydrophobicContact CB-CG 4.17Å; P339-P363 WeakPolarHBondContact CB-O 3.36Å
340	I	67	Low	59.5	Low	2 Å²	2	33 Å²	33	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.6	165.4	-62.6	172.2	0	0	0	105.7	V330 V342 V354 P363 E365	V330-I340 HydrophobicContact CG1-CG2 3.79Å; I340-V342 HydrophobicContact CG2-CG2 4.29Å; I340-V354 HydrophobicContact CG2-CG1 3.99Å; I340-P363 PolarHBondContact N-O 2.89Å; I340-E365 PolarHBondContact O-N 2.92Å
341	E	64.9	Low	59.1	Low	59 Å²	59	34.1 Å²	34.1	28%	0.276	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116	-180	-63.2	-173.1	-164.2	0	0	109.3	I316 E317 V318 P339 E365	I316-E341 PolarHBondContact O-N 3.17Å; E317-E341 WeakPolarHBondContact CA-O 3.41Å; E317-E341 HydrophobicContact CG-CB 4.38Å; V318-E341 PolarHBondContact N-O 3.15Å; P339-E341 HydrophobicContact CB-CG 4.33Å; E341-E365 WeakPolarHBondContact CA-O 3.47Å; E341-E365 HydrophobicContact CG-CB 4.38Å
342	V	68.3	Low	59.1	Low	1 Å²	1	33.3 Å²	33.3	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	111	173	-177.1	0	0	0	0	108.3	I328 V330 I340 I352 V354 E365 T367	I328-V342 HydrophobicContact CG2-CG1 3.97Å; V330-V342 HydrophobicContact CB-CG2 4.4Å; V330-V342 HydrophobicContact CG2-CG2 3.72Å; I340-V342 HydrophobicContact CG2-CG2 4.29Å; V342-I352 HydrophobicContact CG1-CG2 3.83Å; V342-V354 HydrophobicContact CB-CG2 4.44Å; V342-V354 HydrophobicContact CG2-CG2 3.75Å; V342-E365 PolarHBondContact N-O 2.97Å; V342-T367 PolarHBondContact O-N 3.05Å
343	T	68	Low	59.2	Low	20 Å²	20	36 Å²	36	12%	0.123	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.5	-179.1	-60.6	0	0	0	0	111.2	V318 T319 S320 Y345 T367 Y369	V318-T343 PolarHBondContact O-N 3.16Å; T319-T343 WeakPolarHBondContact CA-O 3.37Å; S320-T343 PolarHBondContact N-O 2.82Å; T343-Y345 HydrophobicContact CG2-CD2 3.94Å; T343-Y345 HydrophobicContact CG2-CE1 4.18Å; T343-Y345 HydrophobicContact CG2-CE2 3.42Å; T343-Y345 VanDerWaalsContact CG2-CE2 3.42Å; T343-T367 WeakPolarHBondContact CA-O 3.34Å; T343-Y369 HydrophobicContact CG2-CD2 4.16Å; T343-Y369 HydrophobicContact CG2-CE2 3.72Å
344	S	62.4	Low	59.6	Low	1 Å²	1	31.8 Å²	31.8	1%	0.007	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.6	172.5	-179.1	0	0	0	0	111.3	T346 T367 Y369	S344-T346 PolarHBondContact OG-O 2.97Å; S344-T367 PolarHBondContact N-O 3.38Å; S344-Y369 PolarHBondContact O-N 3.08Å
345	Y	62	Low	60.3	Low	90 Å²	90	31.2 Å²	31.2	35%	0.353	17%	0.173	S	C	.	.			trans	-88.6	-4.8	-178.5	-71.1	-78.8	0	0	0	114.3	T319 S320 Y321 T343 Y369 T370	T319-Y345 HydrophobicContact CG2-CD2 4.06Å; T319-Y345 HydrophobicContact CG2-CE2 3.69Å; S320-Y345 PolarHBondContact O-N 2.93Å; Y321-Y345 AromaticContact CD1-CD2 3.49Å; Y321-Y345 HydrophobicContact CD1-CD2 3.49Å; Y321-Y345 VanDerWaalsContact CD1-CD2 3.49Å; Y321-Y345 AromaticContact CD1-CE2 3.9Å; Y321-Y345 HydrophobicContact CD1-CE2 3.9Å; Y321-Y345 HydrophobicContact CD1-CG 4.12Å; Y321-Y345 AromaticContact CE1-CD2 3.61Å; Y321-Y345 HydrophobicContact CE1-CD2 3.61Å; Y321-Y345 AromaticContact CE1-CE2 3.47Å; Y321-Y345 HydrophobicContact CE1-CE2 3.47Å; Y321-Y345 VanDerWaalsContact CE1-CE2 3.47Å; Y321-Y345 HydrophobicContact CE1-CG 4.44Å; Y321-Y345 HydrophobicContact CG-CD2 4.17Å; T343-Y345 HydrophobicContact CG2-CD2 3.94Å; T343-Y345 HydrophobicContact CG2-CE1 4.18Å; T343-Y345 HydrophobicContact CG2-CE2 3.42Å; T343-Y345 VanDerWaalsContact CG2-CE2 3.42Å; Y345-Y369 AromaticContact CD1-CD2 3.4Å; Y345-Y369 HydrophobicContact CD1-CD2 3.4Å; Y345-Y369 AromaticContact CD1-CE2 3.76Å; Y345-Y369 HydrophobicContact CD1-CE2 3.76Å; Y345-Y369 HydrophobicContact CD1-CG 4.03Å; Y345-Y369 AromaticContact CE1-CD2 3.53Å; Y345-Y369 HydrophobicContact CE1-CD2 3.53Å; Y345-Y369 AromaticContact CE1-CE2 3.33Å; Y345-Y369 HydrophobicContact CE1-CE2 3.33Å; Y345-Y369 HydrophobicContact CE1-CG 4.36Å; Y345-Y369 HydrophobicContact CG-CD2 4.15Å; Y345-Y369 AromaticContact CZ-CE2 3.97Å; Y345-T370 WeakPolarHBondContact O-CG2 3.31Å
346	T	54.8	Low	61	Low	31 Å²	31	28.8 Å²	28.8	19%	0.19	16%	0.158	C	C	.	.	S	Bend	trans	-153	156.1	-170.7	48.6	0	0	0	0	112.1	Y321 T322 P323 S344 S348 T370	Y321-T346 WeakPolarHBondContact O-CG2 3.36Å; T322-T346 WeakPolarHBondContact CA-OG1 2.99Å; T322-T346 PolarHBondContact N-OG1 3.17Å; T322-T346 PolarHBondContact O-OG1 2.63Å; P323-T346 WeakPolarHBondContact CD-OG1 3.28Å; S344-T346 PolarHBondContact OG-O 2.97Å; T346-S348 PolarHBondContact O-N 2.92Å; T346-S348 VanDerWaalsContact O-N 3.13Å; T346-T370 WeakPolarHBondContact CA-OG1 3.4Å; T346-T370 PolarHBondContact N-OG1 3.15Å; T346-T370 PolarHBondContact O-OG1 2.89Å
347	P	47.1	Very low	61.5	Low	58 Å²	58	32.8 Å²	32.8	38%	0.377	17%	0.173	S	C	.	.			trans	-69	113.9	-160.1	22.5	-32.7	0	0	0	111.9	P323 T370 P371	P323-P347 HydrophobicContact CB-CG 4.39Å; P323-P347 WeakPolarHBondContact CB-O 3.06Å; P347-T370 WeakPolarHBondContact CA-OG1 3.23Å; P347-T370 WeakPolarHBondContact CD-OG1 3.5Å; P347-P371 WeakPolarHBondContact CB-O 3.48Å
348	S	52.9	Low	61.4	Low	4 Å²	4	31.2 Å²	31.2	3%	0.028	16%	0.163	C	C	.	.			trans	-77.5	136.3	168.9	69.1	0	0	0	0	109.6	S324 T346 N350 S372 T373	S324-S348 WeakPolarHBondContact O-CA 2.91Å; T346-S348 PolarHBondContact O-N 2.92Å; T346-S348 VanDerWaalsContact O-N 3.13Å; S348-N350 PolarHBondContact OG-O 3.21Å; S348-S372 WeakPolarHBondContact O-CA 3.45Å; S348-T373 PolarHBondContact O-N 2.83Å
349	T	56.7	Low	61	Low	63 Å²	63	31.9 Å²	31.9	39%	0.387	17%	0.17	S	C	.	.	S	Bend	trans	-78.2	-11.7	170.7	52.4	0	0	0	0	112.5	S324 T325 T373 N374	S324-T349 PolarHBondContact O-N 2.93Å; T325-T349 VanDerWaalsContact CA-OG1 3.25Å; T325-T349 WeakPolarHBondContact CA-OG1 2.76Å; T325-T349 PolarHBondContact O-OG1 2.94Å; T349-T373 VanDerWaalsContact CA-OG1 3.24Å; T349-T373 WeakPolarHBondContact CA-OG1 2.78Å; T349-T373 PolarHBondContact O-OG1 2.9Å; T349-N374 WeakPolarHBondContact O-CB 2.76Å; T349-N374 PolarHBondContact O-ND2 3.31Å
350	N	58	Low	60.6	Low	41 Å²	41	31 Å²	31	22%	0.219	16%	0.164	C	C	.	.	S	Bend	trans	-126.8	160.9	-168.8	-85.5	-5.8	0	0	0	113	T325 N326 S348 N374	T325-N350 PolarHBondContact O-ND2 2.82Å; N326-N350 PolarHBondContact OD1-ND2 3.35Å; S348-N350 PolarHBondContact OG-O 3.21Å; N350-N374 PolarHBondContact OD1-ND2 2.99Å
351	P	60.8	Low	60.1	Low	22 Å²	22	33.9 Å²	33.9	14%	0.143	18%	0.182	C	C	.	.			trans	-66	155	-169	25.7	-33.2	0	0	0	112.8	P327 I328 E353 P375	P327-P351 WeakPolarHBondContact CA-O 3.01Å; P327-P351 HydrophobicContact CB-CG 4.16Å; P327-P351 WeakPolarHBondContact CB-O 3.45Å; I328-P351 PolarHBondContact N-O 3.22Å; P351-E353 HydrophobicContact CB-CG 4.34Å; P351-P375 WeakPolarHBondContact CA-O 3.44Å; P351-P375 HydrophobicContact CB-CG 4.2Å; P351-P375 WeakPolarHBondContact CB-O 3.36Å
352	I	66.9	Low	59.8	Low	2 Å²	2	33 Å²	33	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.8	165.8	-62.4	172	0	0	0	105.5	V342 V354 V366 P375 E377	V342-I352 HydrophobicContact CG1-CG2 3.83Å; I352-V354 HydrophobicContact CG2-CG2 4.3Å; I352-V366 HydrophobicContact CG2-CG1 3.99Å; I352-P375 PolarHBondContact N-O 2.95Å; I352-E377 PolarHBondContact O-N 2.88Å
353	E	65.3	Low	59.5	Low	59 Å²	59	34.1 Å²	34.1	28%	0.276	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.7	-179.8	-63.1	-173.4	-163.8	0	0	109.2	I328 E329 V330 P351 E377	I328-E353 PolarHBondContact O-N 3.15Å; E329-E353 WeakPolarHBondContact CA-O 3.26Å; E329-E353 HydrophobicContact CG-CB 4.39Å; V330-E353 PolarHBondContact N-O 2.93Å; P351-E353 HydrophobicContact CB-CG 4.34Å; E353-E377 WeakPolarHBondContact CA-O 3.36Å; E353-E377 HydrophobicContact CG-CB 4.39Å
354	V	68.9	Low	59.4	Low	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	111.4	173	-177	0	0	0	0	108.2	I340 V342 I352 I364 V366 E377 V378 T379	I340-V354 HydrophobicContact CG2-CG1 3.99Å; V342-V354 HydrophobicContact CB-CG2 4.44Å; V342-V354 HydrophobicContact CG2-CG2 3.75Å; I352-V354 HydrophobicContact CG2-CG2 4.3Å; V354-I364 HydrophobicContact CG1-CG2 3.83Å; V354-V366 HydrophobicContact CB-CG2 4.46Å; V354-V366 HydrophobicContact CG2-CG2 3.76Å; V354-E377 PolarHBondContact N-O 2.86Å; V354-V378 WeakPolarHBondContact O-CA 3.41Å; V354-T379 PolarHBondContact O-N 3.2Å
355	T	68.6	Low	59.6	Low	18 Å²	18	36 Å²	36	11%	0.11	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.4	-179	-60.9	0	0	0	0	111.2	V330 T331 S332 Y357 T379 Y381	V330-T355 PolarHBondContact O-N 3.32Å; T331-T355 WeakPolarHBondContact CA-O 3.26Å; S332-T355 PolarHBondContact N-O 2.63Å; T355-Y357 HydrophobicContact CG2-CD2 3.92Å; T355-Y357 HydrophobicContact CG2-CE1 4.23Å; T355-Y357 HydrophobicContact CG2-CE2 3.41Å; T355-Y357 VanDerWaalsContact CG2-CE2 3.41Å; T355-T379 WeakPolarHBondContact CA-O 3.48Å; T355-Y381 HydrophobicContact CG2-CD2 4.21Å; T355-Y381 HydrophobicContact CG2-CE2 3.74Å
356	S	62.8	Low	60	Low	2 Å²	2	31.7 Å²	31.7	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119	172.6	-180	0	0	0	0	111.2	T358 T379 Y381	S356-T358 PolarHBondContact OG-O 3.25Å; S356-T358 VanDerWaalsContact OG-O 3.04Å; S356-T379 PolarHBondContact N-O 2.87Å; S356-Y381 PolarHBondContact O-N 3.43Å
357	Y	61.5	Low	60.7	Low	87 Å²	87	31.1 Å²	31.1	34%	0.341	17%	0.174	S	C	.	.			trans	-89.5	-4.7	-177.2	-71.2	-81.7	0	0	0	114.4	T331 S332 Y333 T355 Y381 T382	T331-Y357 HydrophobicContact CG2-CD2 4.16Å; T331-Y357 HydrophobicContact CG2-CE2 3.73Å; S332-Y357 PolarHBondContact O-N 2.74Å; Y333-Y357 AromaticContact CD1-CD2 3.41Å; Y333-Y357 HydrophobicContact CD1-CD2 3.41Å; Y333-Y357 VanDerWaalsContact CD1-CD2 3.41Å; Y333-Y357 AromaticContact CD1-CE2 3.76Å; Y333-Y357 HydrophobicContact CD1-CE2 3.76Å; Y333-Y357 HydrophobicContact CD1-CG 4.03Å; Y333-Y357 AromaticContact CE1-CD2 3.57Å; Y333-Y357 HydrophobicContact CE1-CD2 3.57Å; Y333-Y357 AromaticContact CE1-CE2 3.36Å; Y333-Y357 HydrophobicContact CE1-CE2 3.36Å; Y333-Y357 HydrophobicContact CE1-CG 4.39Å; Y333-Y357 HydrophobicContact CG-CD2 4.16Å; T355-Y357 HydrophobicContact CG2-CD2 3.92Å; T355-Y357 HydrophobicContact CG2-CE1 4.23Å; T355-Y357 HydrophobicContact CG2-CE2 3.41Å; T355-Y357 VanDerWaalsContact CG2-CE2 3.41Å; Y357-Y381 AromaticContact CD1-CD2 3.44Å; Y357-Y381 HydrophobicContact CD1-CD2 3.44Å; Y357-Y381 VanDerWaalsContact CD1-CD2 3.44Å; Y357-Y381 AromaticContact CD1-CE2 3.76Å; Y357-Y381 HydrophobicContact CD1-CE2 3.76Å; Y357-Y381 HydrophobicContact CD1-CG 4.02Å; Y357-Y381 AromaticContact CE1-CD2 3.64Å; Y357-Y381 HydrophobicContact CE1-CD2 3.64Å; Y357-Y381 AromaticContact CE1-CE2 3.4Å; Y357-Y381 HydrophobicContact CE1-CE2 3.4Å; Y357-Y381 VanDerWaalsContact CE1-CE2 3.4Å; Y357-Y381 HydrophobicContact CE1-CG 4.41Å; Y357-Y381 HydrophobicContact CG-CD2 4.13Å; Y357-T382 WeakPolarHBondContact O-CG2 3.08Å
358	T	55.2	Low	61.4	Low	31 Å²	31	28.4 Å²	28.4	19%	0.19	16%	0.156	C	C	.	.	S	Bend	trans	-154.4	154.1	-168.7	42.3	0	0	0	0	111.6	T334 S356 S360 T382	T334-T358 WeakPolarHBondContact CA-OG1 3.19Å; T334-T358 PolarHBondContact N-OG1 2.97Å; T334-T358 PolarHBondContact O-OG1 3.25Å; S356-T358 PolarHBondContact OG-O 3.25Å; S356-T358 VanDerWaalsContact OG-O 3.04Å; T358-S360 PolarHBondContact O-N 3.1Å; T358-S360 VanDerWaalsContact O-N 3.14Å; T358-T382 WeakPolarHBondContact CA-OG1 3.08Å; T358-T382 PolarHBondContact N-OG1 2.67Å; T358-T382 PolarHBondContact O-OG1 3.46Å
359	P	48.3	Very low	61.8	Low	56 Å²	56	32.4 Å²	32.4	36%	0.364	17%	0.171	S	C	.	.			trans	-68.7	114.1	-160.1	23.3	-32.9	0	0	0	112	P335 T382 P383	P335-P359 HydrophobicContact CB-CG 4.42Å; P335-P359 WeakPolarHBondContact CB-O 3.25Å; P359-T382 WeakPolarHBondContact CA-OG1 3.32Å; P359-T382 WeakPolarHBondContact CD-OG1 3.35Å; P359-P383 WeakPolarHBondContact CB-O 3.37Å
360	S	52.9	Low	61.8	Low	3 Å²	3	30.8 Å²	30.8	2%	0.021	16%	0.161	C	C	.	.			trans	-76	136	168.6	69.2	0	0	0	0	109.5	S336 T358 N362 S384 T385	S336-S360 WeakPolarHBondContact O-CA 3.36Å; T358-S360 PolarHBondContact O-N 3.1Å; T358-S360 VanDerWaalsContact O-N 3.14Å; S360-N362 PolarHBondContact O-N 3.11Å; S360-N362 PolarHBondContact OG-O 2.91Å; S360-S384 WeakPolarHBondContact O-CA 3.38Å; S360-T385 PolarHBondContact O-N 2.64Å
361	T	57	Low	61.3	Low	63 Å²	63	31.6 Å²	31.6	39%	0.387	17%	0.169	S	C	.	.	S	Bend	trans	-79.4	-6.2	171.2	56.1	0	0	0	0	112.5	S336 T337 T385 N386	S336-T361 PolarHBondContact O-N 3.03Å; T337-T361 VanDerWaalsContact CA-OG1 3.25Å; T337-T361 WeakPolarHBondContact CA-OG1 3.29Å; T337-T361 PolarHBondContact O-OG1 3.3Å; T337-T361 VanDerWaalsContact O-OG1 3.13Å; T361-T385 VanDerWaalsContact CA-OG1 3.26Å; T361-T385 WeakPolarHBondContact CA-OG1 3.38Å; T361-T385 PolarHBondContact O-OG1 2.91Å; T361-T385 VanDerWaalsContact O-OG1 3.05Å; T361-N386 VanDerWaalsContact O-CG 3.28Å; T361-N386 PolarHBondContact O-ND2 2.83Å
362	N	58	Low	61	Low	41 Å²	41	30.7 Å²	30.7	22%	0.219	16%	0.163	C	C	.	.	S	Bend	trans	-132.8	161	-169.2	-89.2	-13.6	0	0	0	112.5	T337 N338 S360 N386	T337-N362 VanDerWaalsContact O-CG 3.28Å; T337-N362 PolarHBondContact O-ND2 3.17Å; N338-N362 PolarHBondContact OD1-ND2 2.88Å; S360-N362 PolarHBondContact O-N 3.11Å; S360-N362 PolarHBondContact OG-O 2.91Å; N362-N386 PolarHBondContact OD1-ND2 3.1Å
363	P	61.2	Low	60.6	Low	24 Å²	24	33.6 Å²	33.6	16%	0.156	18%	0.18	C	C	.	.			trans	-66.6	154	-168.3	25.6	-33	0	0	0	112.9	P339 I340 E365 P387	P339-P363 WeakPolarHBondContact CA-O 3.21Å; P339-P363 HydrophobicContact CB-CG 4.17Å; P339-P363 WeakPolarHBondContact CB-O 3.36Å; I340-P363 PolarHBondContact N-O 2.89Å; P363-E365 HydrophobicContact CB-CG 4.34Å; P363-P387 WeakPolarHBondContact CA-O 3.37Å; P363-P387 HydrophobicContact CB-CG 4.25Å; P363-P387 WeakPolarHBondContact CB-O 3.26Å
364	I	67.4	Low	60.2	Low	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.6	165.4	-61.3	174.5	0	0	0	105.6	V354 V366 V378 P387 E389	V354-I364 HydrophobicContact CG1-CG2 3.83Å; I364-V366 HydrophobicContact CG2-CG2 4.3Å; I364-V378 HydrophobicContact CG2-CG1 4.04Å; I364-P387 PolarHBondContact N-O 2.9Å; I364-E389 PolarHBondContact O-N 3Å
365	E	66	Low	59.9	Low	59 Å²	59	33.9 Å²	33.9	28%	0.276	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116.5	179.9	-62.2	-171.4	-166.5	0	0	109.4	I340 E341 V342 P363 E389	I340-E365 PolarHBondContact O-N 2.92Å; E341-E365 WeakPolarHBondContact CA-O 3.47Å; E341-E365 HydrophobicContact CG-CB 4.38Å; V342-E365 PolarHBondContact N-O 2.97Å; P363-E365 HydrophobicContact CB-CG 4.34Å; E365-E389 WeakPolarHBondContact CA-O 3.28Å; E365-E389 HydrophobicContact CG-CB 4.37Å
366	V	69.5	Low	59.8	Low	1 Å²	1	33.1 Å²	33.1	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	111.2	173.1	-177.1	0	0	0	0	108.2	I352 V354 I364 I376 V378 E389 V390 T391	I352-V366 HydrophobicContact CG2-CG1 3.99Å; V354-V366 HydrophobicContact CB-CG2 4.46Å; V354-V366 HydrophobicContact CG2-CG2 3.76Å; I364-V366 HydrophobicContact CG2-CG2 4.3Å; V366-I376 HydrophobicContact CG1-CG2 3.86Å; V366-V378 HydrophobicContact CG2-CG2 3.8Å; V366-E389 PolarHBondContact N-O 3.43Å; V366-V390 HydrophobicContact CB-CG2 4.48Å; V366-V390 WeakPolarHBondContact O-CA 3.43Å; V366-T391 PolarHBondContact O-N 2.97Å
367	T	69.1	Low	59.9	Low	19 Å²	19	35.8 Å²	35.8	12%	0.117	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.6	-179	-61.1	0	0	0	0	111.2	V342 T343 S344 Y369 T391 Y393	V342-T367 PolarHBondContact O-N 3.05Å; T343-T367 WeakPolarHBondContact CA-O 3.34Å; S344-T367 PolarHBondContact N-O 3.38Å; T367-Y369 HydrophobicContact CG2-CD2 3.96Å; T367-Y369 HydrophobicContact CG2-CE1 4.23Å; T367-Y369 HydrophobicContact CG2-CE2 3.45Å; T367-Y369 VanDerWaalsContact CG2-CE2 3.45Å; T367-T391 WeakPolarHBondContact CA-O 3.5Å; T367-Y393 HydrophobicContact CG2-CD2 4.2Å; T367-Y393 HydrophobicContact CG2-CE2 3.74Å
368	S	63.3	Low	60.3	Low	1 Å²	1	31.7 Å²	31.7	1%	0.007	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	118.7	172.2	-179.3	0	0	0	0	111.3	T370 T391 Y393	S368-T370 PolarHBondContact OG-O 3.09Å; S368-T391 PolarHBondContact N-O 2.84Å; S368-Y393 PolarHBondContact O-N 2.88Å
369	Y	61.7	Low	61	Low	87 Å²	87	31 Å²	31	34%	0.341	17%	0.173	S	C	.	.			trans	-88.1	-5.5	-178.4	-70.8	-80.9	0	0	0	114.3	T343 S344 Y345 T367 Y393	T343-Y369 HydrophobicContact CG2-CD2 4.16Å; T343-Y369 HydrophobicContact CG2-CE2 3.72Å; S344-Y369 PolarHBondContact O-N 3.08Å; Y345-Y369 AromaticContact CD1-CD2 3.4Å; Y345-Y369 HydrophobicContact CD1-CD2 3.4Å; Y345-Y369 AromaticContact CD1-CE2 3.76Å; Y345-Y369 HydrophobicContact CD1-CE2 3.76Å; Y345-Y369 HydrophobicContact CD1-CG 4.03Å; Y345-Y369 AromaticContact CE1-CD2 3.53Å; Y345-Y369 HydrophobicContact CE1-CD2 3.53Å; Y345-Y369 AromaticContact CE1-CE2 3.33Å; Y345-Y369 HydrophobicContact CE1-CE2 3.33Å; Y345-Y369 HydrophobicContact CE1-CG 4.36Å; Y345-Y369 HydrophobicContact CG-CD2 4.15Å; Y345-Y369 AromaticContact CZ-CE2 3.97Å; T367-Y369 HydrophobicContact CG2-CD2 3.96Å; T367-Y369 HydrophobicContact CG2-CE1 4.23Å; T367-Y369 HydrophobicContact CG2-CE2 3.45Å; T367-Y369 VanDerWaalsContact CG2-CE2 3.45Å; Y369-Y393 AromaticContact CD1-CD2 3.37Å; Y369-Y393 HydrophobicContact CD1-CD2 3.37Å; Y369-Y393 AromaticContact CD1-CE2 3.68Å; Y369-Y393 HydrophobicContact CD1-CE2 3.68Å; Y369-Y393 HydrophobicContact CD1-CG 4Å; Y369-Y393 AromaticContact CE1-CD2 3.56Å; Y369-Y393 HydrophobicContact CE1-CD2 3.56Å; Y369-Y393 AromaticContact CE1-CE2 3.3Å; Y369-Y393 HydrophobicContact CE1-CE2 3.3Å; Y369-Y393 HydrophobicContact CE1-CG 4.38Å; Y369-Y393 AromaticContact CE1-CZ 3.98Å; Y369-Y393 HydrophobicContact CG-CD2 4.09Å; Y369-Y393 AromaticContact CZ-CE2 3.95Å
370	T	55.7	Low	61.7	Low	30 Å²	30	28.4 Å²	28.4	18%	0.184	16%	0.156	C	C	.	.	S	Bend	trans	-150.7	162	-172.3	53.5	0	0	0	0	112.5	Y345 T346 P347 S368 S372 T394	Y345-T370 WeakPolarHBondContact O-CG2 3.31Å; T346-T370 WeakPolarHBondContact CA-OG1 3.4Å; T346-T370 PolarHBondContact N-OG1 3.15Å; T346-T370 PolarHBondContact O-OG1 2.89Å; P347-T370 WeakPolarHBondContact CA-OG1 3.23Å; P347-T370 WeakPolarHBondContact CD-OG1 3.5Å; S368-T370 PolarHBondContact OG-O 3.09Å; T370-S372 PolarHBondContact O-N 2.93Å; T370-S372 VanDerWaalsContact O-N 3.16Å; T370-T394 WeakPolarHBondContact CA-OG1 3.38Å; T370-T394 PolarHBondContact N-OG1 2.91Å; T370-T394 PolarHBondContact O-OG1 3.09Å
371	P	48.4	Very low	62.1	Low	58 Å²	58	32.4 Å²	32.4	38%	0.377	17%	0.171	S	C	.	.			trans	-65.3	115.8	-164.7	-20.9	30.6	0	0	0	111.8	P347 T394 P395	P347-P371 WeakPolarHBondContact CB-O 3.48Å; P371-T394 WeakPolarHBondContact CA-OG1 3.45Å; P371-T394 VanDerWaalsContact CD-OG1 3.29Å; P371-T394 WeakPolarHBondContact CD-OG1 3.5Å; P371-P395 WeakPolarHBondContact CB-O 3.16Å
372	S	54	Low	62	Low	2 Å²	2	30.9 Å²	30.9	1%	0.014	16%	0.162	C	C	.	.			trans	-80.2	134.9	165.2	70.1	0	0	0	0	109.3	S348 T370 N374 S396 T397	S348-S372 WeakPolarHBondContact O-CA 3.45Å; T370-S372 PolarHBondContact O-N 2.93Å; T370-S372 VanDerWaalsContact O-N 3.16Å; S372-N374 PolarHBondContact OG-O 3.31Å; S372-S396 WeakPolarHBondContact O-CA 3.49Å; S372-T397 PolarHBondContact O-N 3.19Å
373	T	57.2	Low	61.6	Low	63 Å²	63	31.6 Å²	31.6	39%	0.387	17%	0.169	S	C	.	.	S	Bend	trans	-78.6	-12	170.8	48.8	0	0	0	0	112.4	S348 T349 T397 N398	S348-T373 PolarHBondContact O-N 2.83Å; T349-T373 VanDerWaalsContact CA-OG1 3.24Å; T349-T373 WeakPolarHBondContact CA-OG1 2.78Å; T349-T373 PolarHBondContact O-OG1 2.9Å; T373-T397 VanDerWaalsContact CA-OG1 3.3Å; T373-T397 WeakPolarHBondContact CA-OG1 3.43Å; T373-T397 PolarHBondContact O-OG1 3.17Å; T373-N398 VanDerWaalsContact O-CG 3.26Å; T373-N398 PolarHBondContact O-ND2 3.4Å
374	N	58.5	Low	61.3	Low	43 Å²	43	30.6 Å²	30.6	23%	0.23	16%	0.162	C	C	.	.	S	Bend	trans	-127.2	161.9	-169.8	-86.4	-9.4	0	0	0	112.3	T349 N350 S372 N398	T349-N374 WeakPolarHBondContact O-CB 2.76Å; T349-N374 PolarHBondContact O-ND2 3.31Å; N350-N374 PolarHBondContact OD1-ND2 2.99Å; S372-N374 PolarHBondContact OG-O 3.31Å; N374-N398 PolarHBondContact OD1-ND2 2.88Å; N374-N398 VanDerWaalsContact OD1-ND2 3.1Å
375	P	61.1	Low	60.8	Low	23 Å²	23	33.6 Å²	33.6	15%	0.149	18%	0.18	C	C	.	.			trans	-66	154.7	-169.7	25.4	-33.3	0	0	0	113	P351 I352 E377 P399	P351-P375 WeakPolarHBondContact CA-O 3.44Å; P351-P375 HydrophobicContact CB-CG 4.2Å; P351-P375 WeakPolarHBondContact CB-O 3.36Å; I352-P375 PolarHBondContact N-O 2.95Å; P375-E377 HydrophobicContact CB-CG 4.32Å; P375-P399 WeakPolarHBondContact CA-O 3.22Å; P375-P399 HydrophobicContact CB-CG 4.35Å; P375-P399 WeakPolarHBondContact CB-O 3.5Å
376	I	66.8	Low	60.5	Low	2 Å²	2	32.8 Å²	32.8	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.5	165.3	-61.7	173.8	0	0	0	105.5	V366 V378 V390 P399 I400 E401	V366-I376 HydrophobicContact CG1-CG2 3.86Å; I376-V378 HydrophobicContact CG2-CG2 4.32Å; I376-V390 HydrophobicContact CD1-CG1 4.49Å; I376-V390 HydrophobicContact CG2-CG1 4.06Å; I376-P399 PolarHBondContact N-O 2.85Å; I376-I400 HydrophobicContact CB-CG2 4.49Å; I376-E401 PolarHBondContact O-N 3.11Å
377	E	66.2	Low	60.1	Low	58 Å²	58	33.9 Å²	33.9	27%	0.271	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.6	-179.6	-61.7	-171.9	-166.3	0	0	109.3	I352 E353 V354 P375 E401	I352-E377 PolarHBondContact O-N 2.88Å; E353-E377 WeakPolarHBondContact CA-O 3.36Å; E353-E377 HydrophobicContact CG-CB 4.39Å; V354-E377 PolarHBondContact N-O 2.86Å; P375-E377 HydrophobicContact CB-CG 4.32Å; E377-E401 WeakPolarHBondContact CA-O 3.44Å; E377-E401 HydrophobicContact CG-CB 4.36Å
378	V	69.5	Low	60	Low	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	111.3	173	-177.1	0	0	0	0	108.1	V354 I364 V366 I376 I388 V390 E401 V402 T403	V354-V378 WeakPolarHBondContact O-CA 3.41Å; I364-V378 HydrophobicContact CG2-CG1 4.04Å; V366-V378 HydrophobicContact CG2-CG2 3.8Å; I376-V378 HydrophobicContact CG2-CG2 4.32Å; V378-I388 HydrophobicContact CG1-CG2 3.89Å; V378-V390 HydrophobicContact CG2-CG2 3.82Å; V378-E401 PolarHBondContact N-O 3.06Å; V378-V402 HydrophobicContact CB-CG2 4.49Å; V378-V402 WeakPolarHBondContact O-CA 3.47Å; V378-T403 PolarHBondContact O-N 2.84Å
379	T	68.8	Low	60.1	Low	18 Å²	18	36 Å²	36	11%	0.11	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123	-179.1	-61.1	0	0	0	0	111.2	V354 T355 S356 Y381 T403 Y405	V354-T379 PolarHBondContact O-N 3.2Å; T355-T379 WeakPolarHBondContact CA-O 3.48Å; S356-T379 PolarHBondContact N-O 2.87Å; T379-Y381 HydrophobicContact CG2-CD2 3.94Å; T379-Y381 HydrophobicContact CG2-CE1 4.37Å; T379-Y381 HydrophobicContact CG2-CE2 3.41Å; T379-Y381 VanDerWaalsContact CG2-CE2 3.41Å; T379-T403 WeakPolarHBondContact CA-O 3.49Å; T379-Y405 HydrophobicContact CG2-CD2 4.24Å; T379-Y405 HydrophobicContact CG2-CE2 3.74Å
380	S	63.5	Low	60.4	Low	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.2	172.1	-178.8	0	0	0	0	111.2	T382 T403 S404 Y405	S380-T382 PolarHBondContact OG-O 2.64Å; S380-T403 PolarHBondContact N-O 2.92Å; S380-S404 WeakPolarHBondContact O-CA 3.42Å; S380-Y405 PolarHBondContact O-N 2.89Å
381	Y	61.8	Low	61	Low	88 Å²	88	31.3 Å²	31.3	35%	0.345	17%	0.174	S	C	.	.	S	Bend	trans	-87.5	-6	-178.2	-71	-85.3	0	0	0	114.2	T355 S356 Y357 T379 Y405	T355-Y381 HydrophobicContact CG2-CD2 4.21Å; T355-Y381 HydrophobicContact CG2-CE2 3.74Å; S356-Y381 PolarHBondContact O-N 3.43Å; Y357-Y381 AromaticContact CD1-CD2 3.44Å; Y357-Y381 HydrophobicContact CD1-CD2 3.44Å; Y357-Y381 VanDerWaalsContact CD1-CD2 3.44Å; Y357-Y381 AromaticContact CD1-CE2 3.76Å; Y357-Y381 HydrophobicContact CD1-CE2 3.76Å; Y357-Y381 HydrophobicContact CD1-CG 4.02Å; Y357-Y381 AromaticContact CE1-CD2 3.64Å; Y357-Y381 HydrophobicContact CE1-CD2 3.64Å; Y357-Y381 AromaticContact CE1-CE2 3.4Å; Y357-Y381 HydrophobicContact CE1-CE2 3.4Å; Y357-Y381 VanDerWaalsContact CE1-CE2 3.4Å; Y357-Y381 HydrophobicContact CE1-CG 4.41Å; Y357-Y381 HydrophobicContact CG-CD2 4.13Å; T379-Y381 HydrophobicContact CG2-CD2 3.94Å; T379-Y381 HydrophobicContact CG2-CE1 4.37Å; T379-Y381 HydrophobicContact CG2-CE2 3.41Å; T379-Y381 VanDerWaalsContact CG2-CE2 3.41Å; Y381-Y405 AromaticContact CD1-CD2 3.5Å; Y381-Y405 HydrophobicContact CD1-CD2 3.5Å; Y381-Y405 AromaticContact CD1-CE2 3.78Å; Y381-Y405 HydrophobicContact CD1-CE2 3.78Å; Y381-Y405 HydrophobicContact CD1-CG 4.1Å; Y381-Y405 AromaticContact CE1-CD2 3.72Å; Y381-Y405 HydrophobicContact CE1-CD2 3.72Å; Y381-Y405 AromaticContact CE1-CE2 3.45Å; Y381-Y405 HydrophobicContact CE1-CE2 3.45Å; Y381-Y405 VanDerWaalsContact CE1-CE2 3.45Å; Y381-Y405 HydrophobicContact CE1-CG 4.5Å; Y381-Y405 HydrophobicContact CG-CD2 4.11Å; Y381-Y405 AromaticContact CZ-CE2 4Å
382	T	55.3	Low	61.7	Low	31 Å²	31	28.5 Å²	28.5	19%	0.19	16%	0.156	C	C	.	.	S	Bend	trans	-151.9	158.8	-172	51.8	0	0	0	0	111.5	Y357 T358 P359 S380 S384 T406	Y357-T382 WeakPolarHBondContact O-CG2 3.08Å; T358-T382 WeakPolarHBondContact CA-OG1 3.08Å; T358-T382 PolarHBondContact N-OG1 2.67Å; T358-T382 PolarHBondContact O-OG1 3.46Å; P359-T382 WeakPolarHBondContact CA-OG1 3.32Å; P359-T382 WeakPolarHBondContact CD-OG1 3.35Å; S380-T382 PolarHBondContact OG-O 2.64Å; T382-S384 PolarHBondContact O-N 3.22Å; T382-T406 WeakPolarHBondContact CA-OG1 3.34Å; T382-T406 PolarHBondContact N-OG1 3.16Å; T382-T406 PolarHBondContact O-OG1 3.11Å
383	P	48.7	Very low	62.1	Low	56 Å²	56	32.7 Å²	32.7	36%	0.364	17%	0.172	S	C	.	.			trans	-72.5	117.2	-161.3	23.7	-32.1	0	0	0	111.3	P359 T406 P407	P359-P383 WeakPolarHBondContact CB-O 3.37Å; P383-T406 WeakPolarHBondContact CA-OG1 2.86Å; P383-T406 VanDerWaalsContact CD-OG1 3.24Å; P383-T406 WeakPolarHBondContact CD-OG1 2.79Å; P383-P407 VanDerWaalsContact CB-O 3.3Å; P383-P407 WeakPolarHBondContact CB-O 3.35Å
384	S	54.5	Low	62	Low	2 Å²	2	31.2 Å²	31.2	1%	0.014	16%	0.163	C	C	.	.			trans	-75.6	137.2	168.4	68.5	0	0	0	0	109.5	S360 T382 N386 T409	S360-S384 WeakPolarHBondContact O-CA 3.38Å; T382-S384 PolarHBondContact O-N 3.22Å; S384-N386 PolarHBondContact O-N 3.33Å; S384-N386 PolarHBondContact OG-O 2.99Å; S384-T409 PolarHBondContact O-N 3.23Å
385	T	57.4	Low	61.5	Low	64 Å²	64	31.7 Å²	31.7	39%	0.393	17%	0.168	S	C	.	.	S	Bend	trans	-79.5	-7.2	172	53.9	0	0	0	0	112.7	S360 T361 T409 N410	S360-T385 PolarHBondContact O-N 2.64Å; T361-T385 VanDerWaalsContact CA-OG1 3.26Å; T361-T385 WeakPolarHBondContact CA-OG1 3.38Å; T361-T385 PolarHBondContact O-OG1 2.91Å; T361-T385 VanDerWaalsContact O-OG1 3.05Å; T385-T409 VanDerWaalsContact CA-OG1 3.29Å; T385-T409 WeakPolarHBondContact CA-OG1 3.27Å; T385-T409 PolarHBondContact O-OG1 3.37Å; T385-N410 PolarHBondContact O-ND2 3.29Å
386	N	58.9	Low	61.2	Low	43 Å²	43	30.8 Å²	30.8	23%	0.23	16%	0.162	C	C	.	.	S	Bend	trans	-132.8	161.3	-169.9	-90.3	-17.4	0	0	0	111.9	T361 N362 S384 N410	T361-N386 VanDerWaalsContact O-CG 3.28Å; T361-N386 PolarHBondContact O-ND2 2.83Å; N362-N386 PolarHBondContact OD1-ND2 3.1Å; S384-N386 PolarHBondContact O-N 3.33Å; S384-N386 PolarHBondContact OG-O 2.99Å; N386-N410 PolarHBondContact OD1-ND2 3.35Å
387	P	61.5	Low	60.7	Low	23 Å²	23	33.9 Å²	33.9	15%	0.149	18%	0.182	C	C	.	.			trans	-65.8	152.9	-169.9	25.8	-33.6	0	0	0	113	P363 I364 E389 P411	P363-P387 WeakPolarHBondContact CA-O 3.37Å; P363-P387 HydrophobicContact CB-CG 4.25Å; P363-P387 WeakPolarHBondContact CB-O 3.26Å; I364-P387 PolarHBondContact N-O 2.9Å; P387-E389 HydrophobicContact CB-CG 4.34Å; P387-P411 WeakPolarHBondContact CA-O 3.15Å; P387-P411 WeakPolarHBondContact CB-O 3.46Å
388	I	66.7	Low	60.4	Low	3 Å²	3	33.3 Å²	33.3	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	118.9	164.6	-63.4	171.5	0	0	0	105.5	V378 V390 V402 I412 E413	V378-I388 HydrophobicContact CG1-CG2 3.89Å; I388-V390 HydrophobicContact CG2-CG2 4.28Å; I388-V402 HydrophobicContact CD1-CG1 4.41Å; I388-V402 HydrophobicContact CG2-CG1 4.04Å; I388-I412 HydrophobicContact CB-CG2 4.49Å; I388-E413 PolarHBondContact O-N 2.64Å
389	E	65.8	Low	59.9	Low	63 Å²	63	34.5 Å²	34.5	29%	0.294	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.5	179.7	-60.6	-168.2	-171.3	0	0	109.6	I364 E365 V366 P387 E413	I364-E389 PolarHBondContact O-N 3Å; E365-E389 WeakPolarHBondContact CA-O 3.28Å; E365-E389 HydrophobicContact CG-CB 4.37Å; V366-E389 PolarHBondContact N-O 3.43Å; P387-E389 HydrophobicContact CB-CG 4.34Å; E389-E413 WeakPolarHBondContact CA-O 3.5Å; E389-E413 HydrophobicContact CG-CB 4.35Å
390	V	69	Low	59.8	Low	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111.8	172.6	-177	0	0	0	0	108.2	V366 I376 V378 I388 I400 V402 E413 V414 T415	V366-V390 HydrophobicContact CB-CG2 4.48Å; V366-V390 WeakPolarHBondContact O-CA 3.43Å; I376-V390 HydrophobicContact CD1-CG1 4.49Å; I376-V390 HydrophobicContact CG2-CG1 4.06Å; V378-V390 HydrophobicContact CG2-CG2 3.82Å; I388-V390 HydrophobicContact CG2-CG2 4.28Å; V390-I400 HydrophobicContact CG1-CG2 3.87Å; V390-V402 HydrophobicContact CG2-CG2 3.85Å; V390-E413 PolarHBondContact N-O 2.99Å; V390-V414 HydrophobicContact CB-CG1 4.46Å; V390-V414 WeakPolarHBondContact O-CA 3.19Å; V390-T415 PolarHBondContact O-N 3.43Å
391	T	68.1	Low	59.8	Low	17 Å²	17	36.7 Å²	36.7	10%	0.104	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.9	-178.5	-61.7	0	0	0	0	111.1	V366 T367 S368 Y393 T415 Y417	V366-T391 PolarHBondContact O-N 2.97Å; T367-T391 WeakPolarHBondContact CA-O 3.5Å; S368-T391 PolarHBondContact N-O 2.84Å; T391-Y393 HydrophobicContact CG2-CD2 4.01Å; T391-Y393 HydrophobicContact CG2-CE1 4.36Å; T391-Y393 HydrophobicContact CG2-CE2 3.5Å; T391-T415 WeakPolarHBondContact CA-O 3.47Å; T391-Y417 HydrophobicContact CG2-CD2 4.21Å; T391-Y417 HydrophobicContact CG2-CE2 3.67Å
392	S	63	Low	60.1	Low	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120.7	171.5	-177.4	0	0	0	0	111.2	T394 T415 S416 Y417	S392-T394 PolarHBondContact OG-O 2.88Å; S392-T415 PolarHBondContact N-O 2.87Å; S392-S416 WeakPolarHBondContact O-CA 3.48Å; S392-Y417 PolarHBondContact O-N 2.86Å
393	Y	61.1	Low	60.6	Low	89 Å²	89	31.8 Å²	31.8	35%	0.349	18%	0.176	S	C	.	.	S	Bend	trans	-87.6	-6.2	-178.7	-71.6	-82.7	0	0	0	114.3	T367 S368 Y369 T391 Y417	T367-Y393 HydrophobicContact CG2-CD2 4.2Å; T367-Y393 HydrophobicContact CG2-CE2 3.74Å; S368-Y393 PolarHBondContact O-N 2.88Å; Y369-Y393 AromaticContact CD1-CD2 3.37Å; Y369-Y393 HydrophobicContact CD1-CD2 3.37Å; Y369-Y393 AromaticContact CD1-CE2 3.68Å; Y369-Y393 HydrophobicContact CD1-CE2 3.68Å; Y369-Y393 HydrophobicContact CD1-CG 4Å; Y369-Y393 AromaticContact CE1-CD2 3.56Å; Y369-Y393 HydrophobicContact CE1-CD2 3.56Å; Y369-Y393 AromaticContact CE1-CE2 3.3Å; Y369-Y393 HydrophobicContact CE1-CE2 3.3Å; Y369-Y393 HydrophobicContact CE1-CG 4.38Å; Y369-Y393 AromaticContact CE1-CZ 3.98Å; Y369-Y393 HydrophobicContact CG-CD2 4.09Å; Y369-Y393 AromaticContact CZ-CE2 3.95Å; T391-Y393 HydrophobicContact CG2-CD2 4.01Å; T391-Y393 HydrophobicContact CG2-CE1 4.36Å; T391-Y393 HydrophobicContact CG2-CE2 3.5Å; Y393-Y417 AromaticContact CD1-CD2 3.36Å; Y393-Y417 HydrophobicContact CD1-CD2 3.36Å; Y393-Y417 AromaticContact CD1-CE2 3.68Å; Y393-Y417 HydrophobicContact CD1-CE2 3.68Å; Y393-Y417 HydrophobicContact CD1-CG 4.06Å; Y393-Y417 AromaticContact CE1-CD2 3.56Å; Y393-Y417 HydrophobicContact CE1-CD2 3.56Å; Y393-Y417 AromaticContact CE1-CE2 3.32Å; Y393-Y417 HydrophobicContact CE1-CE2 3.32Å; Y393-Y417 HydrophobicContact CE1-CG 4.42Å; Y393-Y417 HydrophobicContact CG-CD2 4.03Å; Y393-Y417 HydrophobicContact CG-CE2 4.5Å; Y393-Y417 AromaticContact CZ-CE2 3.9Å
394	T	55	Low	61.2	Low	32 Å²	32	29.2 Å²	29.2	20%	0.196	16%	0.16	C	C	.	.	S	Bend	trans	-150.6	161	-174.7	57.8	0	0	0	0	111.1	T370 P371 S392 S396 T418	T370-T394 WeakPolarHBondContact CA-OG1 3.38Å; T370-T394 PolarHBondContact N-OG1 2.91Å; T370-T394 PolarHBondContact O-OG1 3.09Å; P371-T394 WeakPolarHBondContact CA-OG1 3.45Å; P371-T394 VanDerWaalsContact CD-OG1 3.29Å; P371-T394 WeakPolarHBondContact CD-OG1 3.5Å; S392-T394 PolarHBondContact OG-O 2.88Å; T394-S396 PolarHBondContact O-N 2.9Å; T394-T418 WeakPolarHBondContact CA-OG1 3.5Å; T394-T418 PolarHBondContact O-OG1 2.98Å
395	P	48.5	Very low	61.5	Low	54 Å²	54	33.3 Å²	33.3	35%	0.351	18%	0.176	S	C	.	.			trans	-77.3	120.7	-160.9	26.7	-31.8	0	0	0	111.1	P371 T418 P419	P371-P395 WeakPolarHBondContact CB-O 3.16Å; P395-T418 WeakPolarHBondContact CA-OG1 3.03Å; P395-T418 WeakPolarHBondContact CD-OG1 3.28Å; P395-P419 WeakPolarHBondContact CB-O 3.29Å
396	S	54.3	Low	61.4	Low	3 Å²	3	31.9 Å²	31.9	2%	0.021	17%	0.166	C	C	.	.			trans	-75.2	142.5	168.5	64.6	0	0	0	0	109.8	S372 T394 N398 S420	S372-S396 WeakPolarHBondContact O-CA 3.49Å; T394-S396 PolarHBondContact O-N 2.9Å; S396-N398 VanDerWaalsContact C-N 3.26Å; S396-N398 WeakPolarHBondContact CB-O 3.49Å; S396-N398 PolarHBondContact OG-O 3.12Å; S396-S420 WeakPolarHBondContact O-CB 3.27Å
397	T	57	Low	60.9	Low	68 Å²	68	32.5 Å²	32.5	42%	0.417	17%	0.173	S	C	.	.	S	Bend	trans	-83.9	-3.4	170.4	52.4	0	0	0	0	112.6	S372 T373 N422	S372-T397 PolarHBondContact O-N 3.19Å; T373-T397 VanDerWaalsContact CA-OG1 3.3Å; T373-T397 WeakPolarHBondContact CA-OG1 3.43Å; T373-T397 PolarHBondContact O-OG1 3.17Å; T397-N422 PolarHBondContact O-ND2 2.87Å
398	N	59.1	Low	60.6	Low	46 Å²	46	31.7 Å²	31.7	25%	0.246	17%	0.168	C	C	.	.	S	Bend	trans	-134.7	158.7	-172	-90.5	-20.1	0	0	0	111.4	T373 N374 S396 N422	T373-N398 VanDerWaalsContact O-CG 3.26Å; T373-N398 PolarHBondContact O-ND2 3.4Å; N374-N398 PolarHBondContact OD1-ND2 2.88Å; N374-N398 VanDerWaalsContact OD1-ND2 3.1Å; S396-N398 VanDerWaalsContact C-N 3.26Å; S396-N398 WeakPolarHBondContact CB-O 3.49Å; S396-N398 PolarHBondContact OG-O 3.12Å; N398-N422 PolarHBondContact OD1-ND2 3.31Å
399	P	60.5	Low	60.2	Low	24 Å²	24	34.5 Å²	34.5	16%	0.156	19%	0.185	C	C	.	.			trans	-64	152.5	-170.9	25.8	-34.1	0	0	0	112.5	P375 I376 E401 P423	P375-P399 WeakPolarHBondContact CA-O 3.22Å; P375-P399 HydrophobicContact CB-CG 4.35Å; P375-P399 WeakPolarHBondContact CB-O 3.5Å; I376-P399 PolarHBondContact N-O 2.85Å; P399-E401 HydrophobicContact CB-CG 4.33Å; P399-P423 VanDerWaalsContact CA-O 3.26Å; P399-P423 WeakPolarHBondContact CA-O 3.24Å; P399-P423 WeakPolarHBondContact CB-O 3.41Å
400	I	65.2	Low	59.9	Low	3 Å²	3	33.7 Å²	33.7	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.2	163.8	-62.5	173.3	0	0	0	105.5	I376 V390 V402 V414 I424 E425	I376-I400 HydrophobicContact CB-CG2 4.49Å; V390-I400 HydrophobicContact CG1-CG2 3.87Å; I400-V402 HydrophobicContact CG2-CG2 4.26Å; I400-V414 HydrophobicContact CD1-CG1 4.3Å; I400-V414 HydrophobicContact CG2-CG1 4.09Å; I400-I424 HydrophobicContact CB-CG2 4.49Å; I400-E425 PolarHBondContact O-N 3.15Å
401	E	64.8	Low	59.5	Low	61 Å²	61	34.8 Å²	34.8	29%	0.285	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114	179.8	-61.4	-168.9	-170.2	0	0	109.4	I376 E377 V378 P399 E425	I376-E401 PolarHBondContact O-N 3.11Å; E377-E401 WeakPolarHBondContact CA-O 3.44Å; E377-E401 HydrophobicContact CG-CB 4.36Å; V378-E401 PolarHBondContact N-O 3.06Å; P399-E401 HydrophobicContact CB-CG 4.33Å; E401-E425 WeakPolarHBondContact CA-O 3.34Å; E401-E425 HydrophobicContact CG-CB 4.4Å
402	V	67.4	Low	59.4	Low	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	111.2	172.2	-176.3	0	0	0	0	108.1	V378 I388 V390 I400 I412 V414 E425 V426 T427	V378-V402 HydrophobicContact CB-CG2 4.49Å; V378-V402 WeakPolarHBondContact O-CA 3.47Å; I388-V402 HydrophobicContact CD1-CG1 4.41Å; I388-V402 HydrophobicContact CG2-CG1 4.04Å; V390-V402 HydrophobicContact CG2-CG2 3.85Å; I400-V402 HydrophobicContact CG2-CG2 4.26Å; V402-I412 HydrophobicContact CB-CG2 4.49Å; V402-I412 HydrophobicContact CG1-CD1 4.5Å; V402-I412 HydrophobicContact CG1-CG2 3.87Å; V402-V414 HydrophobicContact CG2-CG2 3.92Å; V402-E425 PolarHBondContact N-O 3.09Å; V402-V426 HydrophobicContact CB-CG1 4.48Å; V402-V426 WeakPolarHBondContact O-CA 3.37Å; V402-T427 PolarHBondContact O-N 3.18Å
403	T	66.1	Low	59.5	Low	17 Å²	17	37.3 Å²	37.3	10%	0.104	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	121.1	-177.6	-62.8	0	0	0	0	110.8	V378 T379 S380 Y405 T427 Y429	V378-T403 PolarHBondContact O-N 2.84Å; T379-T403 WeakPolarHBondContact CA-O 3.49Å; S380-T403 PolarHBondContact N-O 2.92Å; T403-Y405 HydrophobicContact CG2-CD2 4.01Å; T403-Y405 HydrophobicContact CG2-CE1 4.48Å; T403-Y405 HydrophobicContact CG2-CE2 3.5Å; T403-T427 WeakPolarHBondContact CA-O 3.47Å; T403-Y429 HydrophobicContact CG2-CD2 4.21Å; T403-Y429 HydrophobicContact CG2-CE2 3.57Å
404	S	62.2	Low	59.7	Low	2 Å²	2	33.1 Å²	33.1	1%	0.014	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.9	171.5	-176.2	0	0	0	0	111.4	S380 T406 T427 S428 Y429	S380-S404 WeakPolarHBondContact O-CA 3.42Å; S404-T406 VanDerWaalsContact C-N 3.32Å; S404-T406 PolarHBondContact O-N 2.84Å; S404-T406 PolarHBondContact OG-O 2.92Å; S404-T427 PolarHBondContact N-O 3.05Å; S404-S428 WeakPolarHBondContact O-CA 3.38Å; S404-Y429 PolarHBondContact O-N 2.92Å
405	Y	60.3	Low	60.2	Low	88 Å²	88	32.4 Å²	32.4	35%	0.345	18%	0.18	S	C	.	.	S	Bend	trans	-82.8	-4.5	-179.4	-70.3	-85.5	0	0	0	114.1	T379 S380 Y381 T403 Y429	T379-Y405 HydrophobicContact CG2-CD2 4.24Å; T379-Y405 HydrophobicContact CG2-CE2 3.74Å; S380-Y405 PolarHBondContact O-N 2.89Å; Y381-Y405 AromaticContact CD1-CD2 3.5Å; Y381-Y405 HydrophobicContact CD1-CD2 3.5Å; Y381-Y405 AromaticContact CD1-CE2 3.78Å; Y381-Y405 HydrophobicContact CD1-CE2 3.78Å; Y381-Y405 HydrophobicContact CD1-CG 4.1Å; Y381-Y405 AromaticContact CE1-CD2 3.72Å; Y381-Y405 HydrophobicContact CE1-CD2 3.72Å; Y381-Y405 AromaticContact CE1-CE2 3.45Å; Y381-Y405 HydrophobicContact CE1-CE2 3.45Å; Y381-Y405 VanDerWaalsContact CE1-CE2 3.45Å; Y381-Y405 HydrophobicContact CE1-CG 4.5Å; Y381-Y405 HydrophobicContact CG-CD2 4.11Å; Y381-Y405 AromaticContact CZ-CE2 4Å; T403-Y405 HydrophobicContact CG2-CD2 4.01Å; T403-Y405 HydrophobicContact CG2-CE1 4.48Å; T403-Y405 HydrophobicContact CG2-CE2 3.5Å; Y405-Y429 AromaticContact CD1-CD2 3.41Å; Y405-Y429 HydrophobicContact CD1-CD2 3.41Å; Y405-Y429 VanDerWaalsContact CD1-CD2 3.41Å; Y405-Y429 AromaticContact CD1-CE2 3.65Å; Y405-Y429 HydrophobicContact CD1-CE2 3.65Å; Y405-Y429 HydrophobicContact CD1-CG 4.05Å; Y405-Y429 AromaticContact CE1-CD2 3.67Å; Y405-Y429 HydrophobicContact CE1-CD2 3.67Å; Y405-Y429 AromaticContact CE1-CE2 3.35Å; Y405-Y429 HydrophobicContact CE1-CE2 3.35Å; Y405-Y429 HydrophobicContact CE1-CG 4.45Å; Y405-Y429 AromaticContact CE1-CZ 3.96Å; Y405-Y429 AromaticContact CG-CD2 3.96Å; Y405-Y429 HydrophobicContact CG-CD2 3.96Å; Y405-Y429 HydrophobicContact CG-CE2 4.35Å; Y405-Y429 AromaticContact CZ-CE2 3.85Å
406	T	54.1	Low	60.8	Low	33 Å²	33	29.9 Å²	29.9	20%	0.202	16%	0.164	C	C	.	.	S	Bend	trans	-150.1	162.3	-175.6	52.9	0	0	0	0	111.4	T382 P383 S404 S408 T430	T382-T406 WeakPolarHBondContact CA-OG1 3.34Å; T382-T406 PolarHBondContact N-OG1 3.16Å; T382-T406 PolarHBondContact O-OG1 3.11Å; P383-T406 WeakPolarHBondContact CA-OG1 2.86Å; P383-T406 VanDerWaalsContact CD-OG1 3.24Å; P383-T406 WeakPolarHBondContact CD-OG1 2.79Å; S404-T406 VanDerWaalsContact C-N 3.32Å; S404-T406 PolarHBondContact O-N 2.84Å; S404-T406 PolarHBondContact OG-O 2.92Å; T406-S408 PolarHBondContact O-N 3.13Å; T406-T430 WeakPolarHBondContact CA-OG1 3.3Å; T406-T430 PolarHBondContact O-OG1 3.47Å
407	P	49.5	Very low	60.9	Low	57 Å²	57	34.2 Å²	34.2	37%	0.37	18%	0.18	S	C	.	.			trans	-80.7	120.5	-162.6	25.1	-26.9	0	0	0	109.9	P383 T430 L431	P383-P407 VanDerWaalsContact CB-O 3.3Å; P383-P407 WeakPolarHBondContact CB-O 3.35Å; P407-T430 VanDerWaalsContact CA-OG1 3.25Å; P407-T430 WeakPolarHBondContact CA-OG1 3.33Å; P407-T430 WeakPolarHBondContact CD-OG1 2.96Å; P407-L431 WeakPolarHBondContact CB-O 3.33Å
408	S	54.7	Low	60.7	Low	6 Å²	6	32.7 Å²	32.7	4%	0.042	17%	0.171	C	C	.	.			trans	-71.2	141.8	172	63.1	0	0	0	0	110	T406 N410	T406-S408 PolarHBondContact O-N 3.13Å; S408-N410 WeakPolarHBondContact CB-O 3.46Å; S408-N410 PolarHBondContact O-N 3.17Å; S408-N410 PolarHBondContact OG-O 2.87Å
409	T	58.6	Low	60.1	Low	62 Å²	62	33.1 Å²	33.1	38%	0.38	18%	0.176	S	C	.	.	S	Bend	trans	-87.9	13.4	171.4	61.5	0	0	0	0	112.5	S384 T385 Y434	S384-T409 PolarHBondContact O-N 3.23Å; T385-T409 VanDerWaalsContact CA-OG1 3.29Å; T385-T409 WeakPolarHBondContact CA-OG1 3.27Å; T385-T409 PolarHBondContact O-OG1 3.37Å; T409-Y434 WeakPolarHBondContact O-CD2 3.48Å; T409-Y434 WeakPolarHBondContact O-CE2 3.4Å
410	N	59.7	Low	59.8	Low	45 Å²	45	32.3 Å²	32.3	24%	0.241	17%	0.171	C	C	.	.	S	Bend	trans	-150.9	160.1	-176.4	-94.3	-35.4	0	0	0	110.5	T385 N386 S408	T385-N410 PolarHBondContact O-ND2 3.29Å; N386-N410 PolarHBondContact OD1-ND2 3.35Å; S408-N410 WeakPolarHBondContact CB-O 3.46Å; S408-N410 PolarHBondContact O-N 3.17Å; S408-N410 PolarHBondContact OG-O 2.87Å
411	P	61.3	Low	59.3	Low	23 Å²	23	37.3 Å²	37.3	15%	0.149	20%	0.202	C	C	.	.			trans	-64.4	150.5	-174.5	25.5	-34	0	0	0	113	P387 E413 P435	P387-P411 WeakPolarHBondContact CA-O 3.15Å; P387-P411 WeakPolarHBondContact CB-O 3.46Å; P411-E413 HydrophobicContact CB-CG 4.36Å; P411-P435 WeakPolarHBondContact CA-O 3.31Å; P411-P435 HydrophobicContact CB-CG 4.28Å; P411-P435 WeakPolarHBondContact CB-O 3.43Å
412	I	64.8	Low	58.9	Low	6 Å²	6	37 Å²	37	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.4	162.7	-63.1	172.4	0	0	0	105.7	I388 V402 V414 V426 V437	I388-I412 HydrophobicContact CB-CG2 4.49Å; V402-I412 HydrophobicContact CB-CG2 4.49Å; V402-I412 HydrophobicContact CG1-CD1 4.5Å; V402-I412 HydrophobicContact CG1-CG2 3.87Å; I412-V414 HydrophobicContact CG2-CG2 4.22Å; I412-V426 HydrophobicContact CD1-CG1 4.13Å; I412-V426 HydrophobicContact CG2-CG1 4.14Å; I412-V437 PolarHBondContact O-N 2.63Å
413	E	64.3	Low	58.5	Low	65 Å²	65	38.4 Å²	38.4	30%	0.304	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.6	178.7	-55.8	-157.1	174.8	0	0	109.9	I388 E389 V390 P411 V437	I388-E413 PolarHBondContact O-N 2.64Å; E389-E413 WeakPolarHBondContact CA-O 3.5Å; E389-E413 HydrophobicContact CG-CB 4.35Å; V390-E413 PolarHBondContact N-O 2.99Å; P411-E413 HydrophobicContact CB-CG 4.36Å; E413-V437 WeakPolarHBondContact CA-O 3.29Å; E413-V437 HydrophobicContact CG-CB 4.23Å
414	V	66	Low	58.3	Low	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	112.8	171.5	-174.4	0	0	0	0	108	V390 I400 V402 I412 I424 V426 V437 I438 S439	V390-V414 HydrophobicContact CB-CG1 4.46Å; V390-V414 WeakPolarHBondContact O-CA 3.19Å; I400-V414 HydrophobicContact CD1-CG1 4.3Å; I400-V414 HydrophobicContact CG2-CG1 4.09Å; V402-V414 HydrophobicContact CG2-CG2 3.92Å; I412-V414 HydrophobicContact CG2-CG2 4.22Å; V414-I424 HydrophobicContact CB-CG2 4.39Å; V414-I424 HydrophobicContact CG1-CD1 4.11Å; V414-I424 HydrophobicContact CG1-CG2 3.89Å; V414-V426 HydrophobicContact CG2-CG2 3.98Å; V414-V437 PolarHBondContact N-O 3.09Å; V414-I438 WeakPolarHBondContact O-CA 3.31Å; V414-S439 PolarHBondContact O-N 2.69Å
415	T	65.1	Low	58.3	Low	18 Å²	18	40 Å²	40	11%	0.11	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.8	-179.3	-59.7	0	0	0	0	110.4	V390 T391 S392 Y417 S439	V390-T415 PolarHBondContact O-N 3.43Å; T391-T415 WeakPolarHBondContact CA-O 3.47Å; S392-T415 PolarHBondContact N-O 2.87Å; T415-Y417 HydrophobicContact CG2-CD2 4.02Å; T415-Y417 HydrophobicContact CG2-CE1 4.09Å; T415-Y417 HydrophobicContact CG2-CE2 3.53Å; T415-S439 WeakPolarHBondContact CA-O 3.35Å
416	S	61.4	Low	58.4	Low	1 Å²	1	36.1 Å²	36.1	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.4	170.4	-179	0	0	0	0	110.4	S392 T418 S439 E441	S392-S416 WeakPolarHBondContact O-CA 3.48Å; S416-T418 VanDerWaalsContact C-N 3.31Å; S416-T418 PolarHBondContact O-N 2.99Å; S416-T418 PolarHBondContact OG-O 2.88Å; S416-S439 PolarHBondContact N-O 2.82Å; S416-E441 PolarHBondContact O-N 2.95Å
417	Y	57.4	Low	58.8	Low	93 Å²	93	35.5 Å²	35.5	37%	0.365	20%	0.199	S	C	.	.	S	Bend	trans	-85.1	0.1	-176.1	-69.8	-79.4	0	0	0	114.2	T391 S392 Y393 T415	T391-Y417 HydrophobicContact CG2-CD2 4.21Å; T391-Y417 HydrophobicContact CG2-CE2 3.67Å; S392-Y417 PolarHBondContact O-N 2.86Å; Y393-Y417 AromaticContact CD1-CD2 3.36Å; Y393-Y417 HydrophobicContact CD1-CD2 3.36Å; Y393-Y417 AromaticContact CD1-CE2 3.68Å; Y393-Y417 HydrophobicContact CD1-CE2 3.68Å; Y393-Y417 HydrophobicContact CD1-CG 4.06Å; Y393-Y417 AromaticContact CE1-CD2 3.56Å; Y393-Y417 HydrophobicContact CE1-CD2 3.56Å; Y393-Y417 AromaticContact CE1-CE2 3.32Å; Y393-Y417 HydrophobicContact CE1-CE2 3.32Å; Y393-Y417 HydrophobicContact CE1-CG 4.42Å; Y393-Y417 HydrophobicContact CG-CD2 4.03Å; Y393-Y417 HydrophobicContact CG-CE2 4.5Å; Y393-Y417 AromaticContact CZ-CE2 3.9Å; T415-Y417 HydrophobicContact CG2-CD2 4.02Å; T415-Y417 HydrophobicContact CG2-CE1 4.09Å; T415-Y417 HydrophobicContact CG2-CE2 3.53Å
418	T	51.3	Low	59.1	Low	36 Å²	36	33.6 Å²	33.6	22%	0.221	19%	0.187	C	C	.	.	S	Bend	trans	-150.3	150.7	-179.6	52.8	0	0	0	0	111.2	T394 P395 S416 S420	T394-T418 WeakPolarHBondContact CA-OG1 3.5Å; T394-T418 PolarHBondContact O-OG1 2.98Å; P395-T418 WeakPolarHBondContact CA-OG1 3.03Å; P395-T418 WeakPolarHBondContact CD-OG1 3.28Å; S416-T418 VanDerWaalsContact C-N 3.31Å; S416-T418 PolarHBondContact O-N 2.99Å; S416-T418 PolarHBondContact OG-O 2.88Å; T418-S420 PolarHBondContact O-N 2.98Å; T418-S420 VanDerWaalsContact O-N 3.14Å
419	P	48.2	Very low	59.1	Low	56 Å²	56	38 Å²	38	36%	0.364	20%	0.203	S	C	.	.			trans	-66.3	113.4	-174.1	24.8	-31.8	0	0	0	112	P395 E445	P395-P419 WeakPolarHBondContact CB-O 3.29Å; P419-E445 WeakPolarHBondContact CA-OE1 3.46Å
420	S	52.9	Low	58.5	Low	7 Å²	7	37 Å²	37	5%	0.049	20%	0.198	C	C	.	.			trans	-70.3	158.3	164.2	104.2	0	0	0	0	109.9	S396 T418 N422 E445	S396-S420 WeakPolarHBondContact O-CB 3.27Å; T418-S420 PolarHBondContact O-N 2.98Å; T418-S420 VanDerWaalsContact O-N 3.14Å; S420-N422 PolarHBondContact OG-N 2.95Å; S420-N422 PolarHBondContact OG-O 2.99Å; S420-E445 WeakPolarHBondContact CA-OE1 3.37Å; S420-E445 WeakPolarHBondContact CB-OE2 3.41Å; S420-E445 PolarHBondContact N-OE1 3.05Å; S420-E445 VanDerWaalsContact O-CD 3.26Å; S420-E445 WeakPolarHBondContact O-CG 3.38Å; S420-E445 PolarHBondContact OG-OE1 3Å; S420-E445 PolarHBondContact OG-OE2 2.91Å
421	T	54.3	Low	57.9	Low	107 Å²	107	39.4 Å²	39.4	66%	0.656	21%	0.21	S	C	*	.	S	Bend	trans	-91.9	-5.9	175.1	48.4	0	0	0	0	113.6
422	N	56.5	Low	57.3	Low	56 Å²	56	38.9 Å²	38.9	30%	0.299	21%	0.207	S	C	.	.	S	Bend	trans	-130	162	-167.1	-85.9	-12.5	0	0	0	111.5	T397 N398 S420	T397-N422 PolarHBondContact O-ND2 2.87Å; N398-N422 PolarHBondContact OD1-ND2 3.31Å; S420-N422 PolarHBondContact OG-N 2.95Å; S420-N422 PolarHBondContact OG-O 2.99Å
423	P	59.1	Low	56.8	Low	29 Å²	29	43.5 Å²	43.5	19%	0.188	24%	0.236	C	C	.	.			trans	-67.7	146.7	-175.6	26.4	-33.5	0	0	0	112.2	P399 E425	P399-P423 VanDerWaalsContact CA-O 3.26Å; P399-P423 WeakPolarHBondContact CA-O 3.24Å; P399-P423 WeakPolarHBondContact CB-O 3.41Å; P423-E425 HydrophobicContact CB-CG 4.29Å; P423-E425 HydrophobicContact CG-CG 4.43Å
424	I	61.9	Low	56.4	Low	5 Å²	5	45.2 Å²	45.2	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.3	158.1	-62.6	176.9	0	0	0	106.4	I400 V414 V426 I438 L440	I400-I424 HydrophobicContact CB-CG2 4.49Å; V414-I424 HydrophobicContact CB-CG2 4.39Å; V414-I424 HydrophobicContact CG1-CD1 4.11Å; V414-I424 HydrophobicContact CG1-CG2 3.89Å; I424-V426 HydrophobicContact CG2-CG2 4.14Å; I424-I438 HydrophobicContact CD1-CG2 4.23Å; I424-L440 HydrophobicContact CD1-CD2 3.55Å; I424-L440 HydrophobicContact CD1-CG 4.45Å
425	E	62.3	Low	56	Low	46 Å²	46	47.2 Å²	47.2	22%	0.215	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	115	177.7	-59	-161.5	174.5	0	0	109.3	I400 E401 V402 P423	I400-E425 PolarHBondContact O-N 3.15Å; E401-E425 WeakPolarHBondContact CA-O 3.34Å; E401-E425 HydrophobicContact CG-CB 4.4Å; V402-E425 PolarHBondContact N-O 3.09Å; P423-E425 HydrophobicContact CB-CG 4.29Å; P423-E425 HydrophobicContact CG-CG 4.43Å
426	V	62.5	Low	55.7	Low	8 Å²	8	47 Å²	47	5%	0.048	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	112.7	171.9	-176.3	0	0	0	0	107.3	V402 I412 V414 I424 I436 I438	V402-V426 HydrophobicContact CB-CG1 4.48Å; V402-V426 WeakPolarHBondContact O-CA 3.37Å; I412-V426 HydrophobicContact CD1-CG1 4.13Å; I412-V426 HydrophobicContact CG2-CG1 4.14Å; V414-V426 HydrophobicContact CG2-CG2 3.98Å; I424-V426 HydrophobicContact CG2-CG2 4.14Å; V426-I436 HydrophobicContact CB-CG2 4.4Å; V426-I436 HydrophobicContact CG1-CD1 4.13Å; V426-I436 HydrophobicContact CG1-CG2 3.98Å; V426-I436 HydrophobicContact CG2-CG2 4.49Å; V426-I438 HydrophobicContact CG2-CD1 4.19Å
427	T	62.1	Low	55.8	Low	20 Å²	20	47.8 Å²	47.8	12%	0.123	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	115.7	-177.9	-56.7	0	0	0	0	109.5	V402 T403 S404 Y429	V402-T427 PolarHBondContact O-N 3.18Å; T403-T427 WeakPolarHBondContact CA-O 3.47Å; S404-T427 PolarHBondContact N-O 3.05Å; T427-Y429 HydrophobicContact CG2-CD2 4.14Å; T427-Y429 HydrophobicContact CG2-CE1 4.07Å; T427-Y429 HydrophobicContact CG2-CE2 3.61Å
428	S	57.3	Low	56	Low	16 Å²	16	44 Å²	44	11%	0.112	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.3	171.9	67.9	0	0	0	0	110.1	S404 T430	S404-S428 WeakPolarHBondContact O-CA 3.38Å; S428-T430 PolarHBondContact O-N 3.21Å
429	Y	53.5	Low	56.5	Low	98 Å²	98	43.7 Å²	43.7	38%	0.384	24%	0.241	S	C	.	.	S	Bend	trans	-82.8	6.6	-177.3	-67.1	-83.1	0	0	0	114.1	T403 S404 Y405 T427	T403-Y429 HydrophobicContact CG2-CD2 4.21Å; T403-Y429 HydrophobicContact CG2-CE2 3.57Å; S404-Y429 PolarHBondContact O-N 2.92Å; Y405-Y429 AromaticContact CD1-CD2 3.41Å; Y405-Y429 HydrophobicContact CD1-CD2 3.41Å; Y405-Y429 VanDerWaalsContact CD1-CD2 3.41Å; Y405-Y429 AromaticContact CD1-CE2 3.65Å; Y405-Y429 HydrophobicContact CD1-CE2 3.65Å; Y405-Y429 HydrophobicContact CD1-CG 4.05Å; Y405-Y429 AromaticContact CE1-CD2 3.67Å; Y405-Y429 HydrophobicContact CE1-CD2 3.67Å; Y405-Y429 AromaticContact CE1-CE2 3.35Å; Y405-Y429 HydrophobicContact CE1-CE2 3.35Å; Y405-Y429 HydrophobicContact CE1-CG 4.45Å; Y405-Y429 AromaticContact CE1-CZ 3.96Å; Y405-Y429 AromaticContact CG-CD2 3.96Å; Y405-Y429 HydrophobicContact CG-CD2 3.96Å; Y405-Y429 HydrophobicContact CG-CE2 4.35Å; Y405-Y429 AromaticContact CZ-CE2 3.85Å; T427-Y429 HydrophobicContact CG2-CD2 4.14Å; T427-Y429 HydrophobicContact CG2-CE1 4.07Å; T427-Y429 HydrophobicContact CG2-CE2 3.61Å
430	T	45.9	Very low	57	Low	42 Å²	42	42.1 Å²	42.1	26%	0.258	23%	0.23	S	C	.	.	S	Bend	trans	-152.8	161.1	-177.3	53.6	0	0	0	0	111.6	T406 P407 S428 S432	T406-T430 WeakPolarHBondContact CA-OG1 3.3Å; T406-T430 PolarHBondContact O-OG1 3.47Å; P407-T430 VanDerWaalsContact CA-OG1 3.25Å; P407-T430 WeakPolarHBondContact CA-OG1 3.33Å; P407-T430 WeakPolarHBondContact CD-OG1 2.96Å; S428-T430 PolarHBondContact O-N 3.21Å; T430-S432 PolarHBondContact O-N 3.29Å
431	L	46.8	Very low	56.9	Low	95 Å²	95	43.9 Å²	43.9	50%	0.497	24%	0.237	S	C	.	.			trans	-61.1	100	-176	-74.3	160	0	0	0	112.7	P407 T433	P407-L431 WeakPolarHBondContact CB-O 3.33Å; L431-T433 PolarHBondContact O-N 3.34Å
432	S	50.4	Low	56.5	Low	13 Å²	13	43.1 Å²	43.1	9%	0.091	23%	0.229	C	C	.	.			trans	-69.8	125.2	162.5	177.7	0	0	0	0	109.9	T430 Y434	T430-S432 PolarHBondContact O-N 3.29Å; S432-Y434 PolarHBondContact O-N 3.08Å; S432-Y434 PolarHBondContact OG-N 2.95Å; S432-Y434 VanDerWaalsContact OG-N 3.09Å; S432-Y434 PolarHBondContact OG-O 3.22Å
433	T	52.6	Low	55.8	Low	103 Å²	103	46.4 Å²	46.4	63%	0.632	25%	0.246	S	C	*	.	S	Bend	trans	-77.5	-4.5	169.6	39.5	0	0	0	0	113	L431	L431-T433 PolarHBondContact O-N 3.34Å
434	Y	56.3	Low	55.1	Low	101 Å²	101	56.1 Å²	56.1	40%	0.396	28%	0.279	S	S	.	.	S	Bend	trans	-122.2	157.8	-170.1	-68.6	-88.2	0	0	0	111.7	T409 S432	T409-Y434 WeakPolarHBondContact O-CD2 3.48Å; T409-Y434 WeakPolarHBondContact O-CE2 3.4Å; S432-Y434 PolarHBondContact O-N 3.08Å; S432-Y434 PolarHBondContact OG-N 2.95Å; S432-Y434 VanDerWaalsContact OG-N 3.09Å; S432-Y434 PolarHBondContact OG-O 3.22Å
435	P	58	Low	54.4	Low	42 Å²	42	57.7 Å²	57.7	27%	0.273	29%	0.286	S	S	.	.			trans	-66	140.8	-176.5	25.1	-33.6	0	0	0	112.9	P411 V437 N462	P411-P435 WeakPolarHBondContact CA-O 3.31Å; P411-P435 HydrophobicContact CB-CG 4.28Å; P411-P435 WeakPolarHBondContact CB-O 3.43Å; P435-V437 HydrophobicContact CB-CG2 4.13Å; P435-V437 HydrophobicContact CG-CG2 4.35Å; P435-N462 WeakPolarHBondContact CA-O 3.46Å; P435-N462 WeakPolarHBondContact CB-O 3.29Å
436	I	59.8	Low	53.5	Low	14 Å²	14	59.3 Å²	59.3	7%	0.072	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	120.2	157.4	-59.3	176.4	0	0	0	105.5	V426 I438 I459 T463 E464	V426-I436 HydrophobicContact CB-CG2 4.4Å; V426-I436 HydrophobicContact CG1-CD1 4.13Å; V426-I436 HydrophobicContact CG1-CG2 3.98Å; V426-I436 HydrophobicContact CG2-CG2 4.49Å; I436-I438 HydrophobicContact CG2-CD1 4.47Å; I436-I438 HydrophobicContact CG2-CG1 4.17Å; I436-I459 HydrophobicContact CD1-CG2 4.33Å; I436-T463 WeakPolarHBondContact O-CG2 3.29Å; I436-E464 PolarHBondContact O-N 3.44Å
437	V	61.7	Low	52.8	Low	17 Å²	17	62.1 Å²	62.1	10%	0.103	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	113.5	-179.1	-175.6	0	0	0	0	108.2	I412 E413 V414 P435	I412-V437 PolarHBondContact O-N 2.63Å; E413-V437 WeakPolarHBondContact CA-O 3.29Å; E413-V437 HydrophobicContact CG-CB 4.23Å; V414-V437 PolarHBondContact N-O 3.09Å; P435-V437 HydrophobicContact CB-CG2 4.13Å; P435-V437 HydrophobicContact CG-CG2 4.35Å
438	I	62.4	Low	51.8	Low	13 Å²	13	63.6 Å²	63.6	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	112.1	173.1	-57.4	176.1	0	0	0	107.3	V414 I424 V426 I436 L440 I447	V414-I438 WeakPolarHBondContact O-CA 3.31Å; I424-I438 HydrophobicContact CD1-CG2 4.23Å; V426-I438 HydrophobicContact CG2-CD1 4.19Å; I436-I438 HydrophobicContact CG2-CD1 4.47Å; I436-I438 HydrophobicContact CG2-CG1 4.17Å; I438-L440 HydrophobicContact CG2-CD1 4.49Å; I438-L440 HydrophobicContact CG2-CG 4.13Å; I438-I447 HydrophobicContact CD1-CG2 4.05Å; I438-I447 HydrophobicContact CG2-CD1 4.32Å
439	S	61.2	Low	51.2	Low	30 Å²	30	65.6 Å²	65.6	21%	0.21	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	103.8	-179.6	-71.7	0	0	0	0	109.9	V414 T415 S416	V414-S439 PolarHBondContact O-N 2.69Å; T415-S439 WeakPolarHBondContact CA-O 3.35Å; S416-S439 PolarHBondContact N-O 2.82Å
440	L	58.5	Low	50.6	Low	23 Å²	23	67 Å²	67	12%	0.12	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122	177.4	-70.5	174.2	0	0	0	110.8	I424 I438 I447	I424-L440 HydrophobicContact CD1-CD2 3.55Å; I424-L440 HydrophobicContact CD1-CG 4.45Å; I438-L440 HydrophobicContact CG2-CD1 4.49Å; I438-L440 HydrophobicContact CG2-CG 4.13Å; L440-I447 HydrophobicContact CD1-CD1 4.08Å; L440-I447 HydrophobicContact CD1-CG1 4.27Å
441	E	51.8	Low	50.4	Low	44 Å²	44	66.8 Å²	66.8	21%	0.206	35%	0.348	C	S	.	.	S	Bend	trans	-97.6	102.7	170.9	-158.8	141.8	-173.3	0	0	110.8	S416 R470	S416-E441 PolarHBondContact O-N 2.95Å; E441-R470 IonicContact OE1-NE 3.89Å
442	N	45.4	Very low	50	Low	91 Å²	91	68.8 Å²	68.8	49%	0.487	36%	0.355	S	S	.	.	S	Bend	trans	91.4	109.3	-178.6	-53.6	-68.7	0	0	0	116.2	R444	N442-R444 PolarHBondContact O-N 2.95Å
443	L	41.6	Very low	49.4	Very low	124 Å²	124	77.3 Å²	77.3	65%	0.649	39%	0.393	S	S	*	.	S	Bend	trans	-62.3	118.5	179.8	-91.9	96.9	0	0	0	114	L467	L443-L467 HydrophobicContact CD1-CD1 3.72Å; L443-L467 HydrophobicContact CD1-CD2 3.69Å; L443-L467 HydrophobicContact CD1-CG 4Å; L443-L467 HydrophobicContact CG-CD1 4.41Å
444	R	44.9	Very low	48.8	Very low	234 Å²	234	81.6 Å²	81.6	88%	0.883	41%	0.406	S	S	*	.			trans	-144.4	-0.8	139.9	-106.6	-175.3	-170.2	-141.1	1.3	116.1	N442	N442-R444 PolarHBondContact O-N 2.95Å
445	E	47.2	Very low	48.2	Very low	38 Å²	38	79 Å²	79	18%	0.178	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-97.3	150.8	-167.3	-72.1	155.7	-113.3	0	0	115.4	P419 S420	P419-E445 WeakPolarHBondContact CA-OE1 3.46Å; S420-E445 WeakPolarHBondContact CA-OE1 3.37Å; S420-E445 WeakPolarHBondContact CB-OE2 3.41Å; S420-E445 PolarHBondContact N-OE1 3.05Å; S420-E445 VanDerWaalsContact O-CD 3.26Å; S420-E445 WeakPolarHBondContact O-CG 3.38Å; S420-E445 PolarHBondContact OG-OE1 3Å; S420-E445 PolarHBondContact OG-OE2 2.91Å
446	S	43.7	Very low	47.1	Very low	79 Å²	79	81.3 Å²	81.3	55%	0.552	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-86	123.5	162.3	55.3	0	0	0	0	109.3
447	I	47.3	Very low	45.9	Very low	68 Å²	68	86.9 Å²	86.9	35%	0.349	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-87.3	120	167.6	-61.3	172	0	0	0	107	I438 L440 M465	I438-I447 HydrophobicContact CD1-CG2 4.05Å; I438-I447 HydrophobicContact CG2-CD1 4.32Å; L440-I447 HydrophobicContact CD1-CD1 4.08Å; L440-I447 HydrophobicContact CD1-CG1 4.27Å; I447-M465 HydrophobicContact CD1-SD 4Å
448	T	42.1	Very low	44.7	Very low	50 Å²	50	91 Å²	91	31%	0.307	45%	0.454	S	S	.	.			trans	-110.4	104.5	171.7	-18.2	0	0	0	0	107.5	F450	T448-F450 HydrophobicContact CG2-CD2 4.28Å; T448-F450 HydrophobicContact CG2-CE2 3.72Å; T448-F450 HydrophobicContact CG2-CZ 3.98Å
449	A	44.8	Very low	43.5	Very low	58 Å²	58	90.8 Å²	90.8	48%	0.479	45%	0.453	S	S	.	.			trans	-93.4	109.5	166.4	0	0	0	0	0	107.4	L451	A449-L451 HydrophobicContact CB-CG 4.47Å
450	F	40.5	Very low	42.4	Very low	128 Å²	128	94.8 Å²	94.8	56%	0.561	47%	0.471	S	S	*	.			trans	-81.8	115.4	170.3	-76.2	-81.9	0	0	0	108.6	T448	T448-F450 HydrophobicContact CG2-CD2 4.28Å; T448-F450 HydrophobicContact CG2-CE2 3.72Å; T448-F450 HydrophobicContact CG2-CZ 3.98Å
451	L	42.2	Very low	41.5	Very low	37 Å²	37	100.5 Å²	100.5	19%	0.194	50%	0.495	C	S	.	.			trans	-124.7	128.8	-179.8	-63.9	171	0	0	0	107.9	A449 E453 M456 I459	A449-L451 HydrophobicContact CB-CG 4.47Å; L451-E453 PolarHBondContact O-N 3.1Å; L451-M456 HydrophobicContact CB-CG 4.29Å; L451-M456 HydrophobicContact CB-SD 4.15Å; L451-M456 HydrophobicContact CD1-SD 3.81Å; L451-I459 HydrophobicContact CD2-CD1 4.14Å
452	E	37.9	Very low	41.1	Very low	137 Å²	137	100.9 Å²	100.9	64%	0.64	50%	0.499	S	S	*	.			trans	-57.1	136.9	170.4	-75.9	-173.8	154.5	0	0	109.9	E454 N455	E452-E454 PolarHBondContact O-N 3.02Å; E452-N455 PolarHBondContact O-N 2.9Å
453	E	37.3	Very low	41.2	Very low	192 Å²	192	98.7 Å²	98.7	90%	0.897	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-21.1	-165.1	-114.7	177.2	170.9	0	0	114.9	L451	L451-E453 PolarHBondContact O-N 3.1Å
454	E	40.4	Very low	41.5	Very low	193 Å²	193	98.8 Å²	98.8	90%	0.902	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-11.8	-178	-64.8	-166.6	158.2	0	0	114.7	E452	E452-E454 PolarHBondContact O-N 3.02Å
455	N	42.9	Very low	41.6	Very low	47 Å²	47	93.7 Å²	93.7	25%	0.251	47%	0.473	S	S	.	.	S	Bend	trans	-116.2	0.8	-170.3	-76.1	-44.7	0	0	0	116.4	E452 I457 I459	E452-N455 PolarHBondContact O-N 2.9Å; N455-I457 PolarHBondContact O-N 2.93Å; N455-I459 HydrophobicContact CB-CD1 4.38Å
456	M	34.9	Very low	41.6	Very low	90 Å²	90	95 Å²	95	44%	0.443	48%	0.484	S	S	.	.	H	α-helix	trans	-56.9	-37.2	-173.3	-86.1	-84.2	-76.6	0	0	115.4	L451 L460	L451-M456 HydrophobicContact CB-CG 4.29Å; L451-M456 HydrophobicContact CB-SD 4.15Å; L451-M456 HydrophobicContact CD1-SD 3.81Å; M456-L460 HydrophobicContact CE-CD1 4.27Å; M456-L460 WeakPolarHBondContact O-CB 3.43Å; M456-L460 WeakPolarHBondContact O-CD1 3.07Å; M456-L460 WeakPolarHBondContact O-CG 3.31Å
457	I	36.3	Very low	41.5	Very low	132 Å²	132	95.3 Å²	95.3	68%	0.677	48%	0.479	S	S	*	.	H	α-helix	trans	-77.7	-27.6	-167.3	-66.3	171.6	0	0	0	113.3	N455	N455-I457 PolarHBondContact O-N 2.93Å
458	Q	36.4	Very low	41.2	Very low	103 Å²	103	97 Å²	97	48%	0.481	49%	0.488	S	S	.	.	H	α-helix	trans	-94	-34.4	-172.4	-160.3	66.7	15.2	0	0	112.5	K461	Q458-K461 PolarHBondContact O-N 3.31Å
459	I	36.2	Very low	40.9	Very low	9 Å²	9	102.2 Å²	102.2	5%	0.046	51%	0.507	C	S	.	.	H	α-helix	trans	-75.8	-34.9	178.3	-63.9	170.6	0	0	0	111.3	I436 L451 N455 K461 N462 T463	I436-I459 HydrophobicContact CD1-CG2 4.33Å; L451-I459 HydrophobicContact CD2-CD1 4.14Å; N455-I459 HydrophobicContact CB-CD1 4.38Å; I459-K461 PolarHBondContact O-N 3.23Å; I459-N462 CarbonylContact O-C 3.56Å; I459-N462 PolarHBondContact O-N 3.02Å; I459-T463 PolarHBondContact O-N 3.05Å; I459-T463 PolarHBondContact O-OG1 3.29Å
460	L	37.8	Very low	40.4	Very low	113 Å²	113	109 Å²	109	59%	0.592	52%	0.52	S	S	*	.	H	α-helix	trans	-59.8	-25.3	171.1	-83.8	168.9	0	0	0	113.5	M456	M456-L460 HydrophobicContact CE-CD1 4.27Å; M456-L460 WeakPolarHBondContact O-CB 3.43Å; M456-L460 WeakPolarHBondContact O-CD1 3.07Å; M456-L460 WeakPolarHBondContact O-CG 3.31Å
461	K	40.1	Very low	40.1	Very low	144 Å²	144	112.1 Å²	112.1	63%	0.626	53%	0.534	S	S	*	.	H	α-helix	trans	-78.8	-24.8	174.7	-72.6	176.7	-178.1	171.7	0	113.1	Q458 I459	Q458-K461 PolarHBondContact O-N 3.31Å; I459-K461 PolarHBondContact O-N 3.23Å
462	N	44.4	Very low	39.8	Very low	52 Å²	52	116 Å²	116	28%	0.278	56%	0.561	S	S	.	*	H	α-helix	trans	-100.4	-9.6	-177.2	-70.5	-4.6	0	0	0	112.3	P435 I459 E464	P435-N462 WeakPolarHBondContact CA-O 3.46Å; P435-N462 WeakPolarHBondContact CB-O 3.29Å; I459-N462 CarbonylContact O-C 3.56Å; I459-N462 PolarHBondContact O-N 3.02Å; N462-E464 PolarHBondContact O-N 2.97Å
463	T	47.1	Very low	39.6	Very low	44 Å²	44	116.6 Å²	116.6	27%	0.27	57%	0.568	S	S	.	*			trans	-78	112.9	178.8	-51.7	0	0	0	0	110.7	I436 I459 M465	I436-T463 WeakPolarHBondContact O-CG2 3.29Å; I459-T463 PolarHBondContact O-N 3.05Å; I459-T463 PolarHBondContact O-OG1 3.29Å; T463-M465 HydrophobicContact CG2-CG 4.45Å
464	E	47.2	Very low	39.1	Very low	127 Å²	127	117.6 Å²	117.6	59%	0.593	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.6	104.9	167.9	-78.7	-163.8	163.9	0	0	109.7	I436 N462 V466	I436-E464 PolarHBondContact O-N 3.44Å; N462-E464 PolarHBondContact O-N 2.97Å; E464-V466 PolarHBondContact O-N 3.02Å
465	M	48	Very low	38.8	Very low	127 Å²	127	119 Å²	119	63%	0.626	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.6	101.6	166.4	-78.7	-177.4	-77	0	0	109.4	I447 T463 L467	I447-M465 HydrophobicContact CD1-SD 4Å; T463-M465 HydrophobicContact CG2-CG 4.45Å; M465-L467 PolarHBondContact O-N 3.18Å
466	V	46.2	Very low	38	Very low	66 Å²	66	128.7 Å²	128.7	40%	0.4	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.1	96.6	173.8	-178.2	0	0	0	0	109	E464 N468	E464-V466 PolarHBondContact O-N 3.02Å; V466-N468 PolarHBondContact O-N 2.72Å
467	L	42.6	Very low	37.9	Very low	84 Å²	84	131.1 Å²	131.1	44%	0.44	62%	0.619	S	S	.	*			trans	-91.4	94.2	179.3	-162.1	87.2	0	0	0	110.8	L443 M465 K469	L443-L467 HydrophobicContact CD1-CD1 3.72Å; L443-L467 HydrophobicContact CD1-CD2 3.69Å; L443-L467 HydrophobicContact CD1-CG 4Å; L443-L467 HydrophobicContact CG-CD1 4.41Å; M465-L467 PolarHBondContact O-N 3.18Å; L467-K469 VanDerWaalsContact C-N 3.34Å; L467-K469 HydrophobicContact CD2-CD 4.22Å; L467-K469 VanDerWaalsContact CD2-CE 3.46Å; L467-K469 HydrophobicContact CD2-CG 3.93Å; L467-K469 HydrophobicContact CG-CG 4.48Å; L467-K469 PolarHBondContact O-N 3.18Å
468	N	40.5	Very low	37.6	Very low	103 Å²	103	134.1 Å²	134.1	55%	0.551	63%	0.627	S	S	*	*			trans	-75.4	82.5	177.4	-107.1	-16.3	0	0	0	111.4	V466 R470	V466-N468 PolarHBondContact O-N 2.72Å; N468-R470 PolarHBondContact O-N 3.11Å
469	K	34.9	Very low	37.5	Very low	160 Å²	160	140.4 Å²	140.4	70%	0.696	66%	0.662	S	S	*	*			trans	-72.1	105.7	167.9	-72.7	-174.8	179.8	176.7	0	109.2	L467 K471	L467-K469 VanDerWaalsContact C-N 3.34Å; L467-K469 HydrophobicContact CD2-CD 4.22Å; L467-K469 VanDerWaalsContact CD2-CE 3.46Å; L467-K469 HydrophobicContact CD2-CG 3.93Å; L467-K469 HydrophobicContact CG-CG 4.48Å; L467-K469 PolarHBondContact O-N 3.18Å; K469-K471 PolarHBondContact O-N 2.76Å
470	R	34.7	Very low	37.5	Very low	202 Å²	202	147 Å²	147	76%	0.762	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-54	116	159.7	-84.4	-174	176.7	-169.9	-2.8	108.3	E441 N468	E441-R470 IonicContact OE1-NE 3.89Å; N468-R470 PolarHBondContact O-N 3.11Å
471	K	33.4	Very low	37.5	Very low	193 Å²	193	148.8 Å²	148.8	84%	0.839	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-46.6	131.5	173.3	-84.6	177.7	177.1	168.9	0	108.5	K469 N473	K469-K471 PolarHBondContact O-N 2.76Å; K471-N473 PolarHBondContact O-N 3.09Å
472	P	36.9	Very low	37.4	Very low	119 Å²	119	149.1 Å²	149.1	77%	0.773	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-57.7	118.8	178.3	23	-30.9	0	0	0	107.8	K474	P472-K474 PolarHBondContact O-N 3.32Å
473	N	32.6	Very low	36.9	Very low	148 Å²	148	154.8 Å²	154.8	79%	0.791	73%	0.727	S	S	*	*			trans	-52.1	113	171.7	-121.9	-21.8	0	0	0	106.4	K471 R475	K471-N473 PolarHBondContact O-N 3.09Å; N473-R475 PolarHBondContact O-N 2.89Å
474	K	28.8	Very low	36.3	Very low	213 Å²	213	161.7 Å²	161.7	93%	0.926	76%	0.756	S	S	*	*			trans	-61.6	82.6	176.3	-81.1	-178.1	175.7	177.4	0	108.6	P472	P472-K474 PolarHBondContact O-N 3.32Å
475	R	32.9	Very low	35.6	Very low	222 Å²	222	164 Å²	164	84%	0.838	77%	0.767	S	S	*	*			trans	-97.2	105.4	161.3	-76.1	-169.4	177.1	-176	0.7	107.2	N473 V477	N473-R475 PolarHBondContact O-N 2.89Å; R475-V477 PolarHBondContact O-N 3.38Å; R475-V477 VanDerWaalsContact O-N 3.15Å
476	R	25.7	Very low	34.7	Very low	251 Å²	251	166.6 Å²	166.6	95%	0.947	78%	0.777	S	S	*	*			trans	-45.5	115.3	163.9	-78.1	174.9	166.7	173.5	-4.2	108.4
477	V	33	Very low	33.8	Very low	141 Å²	141	174.4 Å²	174.4	86%	0.855	81%	0.806	S	S	*	*			trans	-105	136.2	153.4	-178	0	0	0	0	106.8	R475	R475-V477 PolarHBondContact O-N 3.38Å; R475-V477 VanDerWaalsContact O-N 3.15Å
478	K	29.5	Very low	33.1	Very low	195 Å²	195	181.9 Å²	181.9	85%	0.848	84%	0.836	S	S	*	*			trans	-93.2	132.9	-165	-159.7	-178.9	-174.5	-175.4	0	108.1
479	I	34.3	Very low	32.4	Very low	236 Å²	236	189.1 Å²	189.1	100%	1.21	86%	0.862	S	S	*	*			trans	75.3	0	-178.2	-48.2	-179.2	0	0	0	113.9

Retrieved 479 of 479 residues in 676.2 ms (Link to these results)

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