A0A5K4F7W3_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F7W3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 183 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	44.7	Very low	42.9	Very low	191 Å²	191	119.4 Å²	119.4	94%	0.941	60%	0.604	S	S	*	*				0	-46.1	0	-156.3	178.1	159	0	0	111.9	L3 L4 I5	M1-L3 PolarHBondContact O-N 3.04Å; M1-L4 PolarHBondContact O-N 3.12Å; M1-I5 PolarHBondContact O-N 3.14Å
2	L	36.1	Very low	43.4	Very low	139 Å²	139	117.5 Å²	117.5	73%	0.728	59%	0.591	S	S	*	*	H	α-helix	trans	-57.3	-42	173.3	-113.2	91	0	0	0	113.8	L4 I5 V6	L2-L4 VanDerWaalsContact C-N 3.28Å; L2-L4 PolarHBondContact O-N 3.23Å; L2-I5 PolarHBondContact O-N 2.98Å; L2-I5 VanDerWaalsContact O-N 3.1Å; L2-V6 WeakPolarHBondContact O-CG2 3.48Å; L2-V6 PolarHBondContact O-N 3.34Å
3	L	35.2	Very low	43.6	Very low	134 Å²	134	117.6 Å²	117.6	70%	0.702	60%	0.602	S	S	*	*	H	α-helix	trans	-58.6	-39	-179.9	-163.2	79.9	0	0	0	112.5	M1 V6 L7	M1-L3 PolarHBondContact O-N 3.04Å; L3-V6 PolarHBondContact O-N 3.25Å; L3-L7 HydrophobicContact CG-CD1 4.33Å; L3-L7 WeakPolarHBondContact O-CB 3.38Å; L3-L7 WeakPolarHBondContact O-CG 3.43Å; L3-L7 PolarHBondContact O-N 2.98Å
4	L	38.2	Very low	44.1	Very low	116 Å²	116	118.2 Å²	118.2	61%	0.607	59%	0.594	S	S	*	*	H	α-helix	trans	-69.4	-35.8	177.3	-104.1	143.8	0	0	0	112.3	M1 L2 L8	M1-L4 PolarHBondContact O-N 3.12Å; L2-L4 VanDerWaalsContact C-N 3.28Å; L2-L4 PolarHBondContact O-N 3.23Å; L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 WeakPolarHBondContact O-CD1 3.24Å; L4-L8 WeakPolarHBondContact O-CG 3.05Å; L4-L8 PolarHBondContact O-N 3.03Å
5	I	50.7	Low	43.8	Very low	82 Å²	82	117.9 Å²	117.9	42%	0.421	61%	0.607	S	S	.	*	H	α-helix	trans	-68.9	-40.2	175.9	-64.6	166.7	0	0	0	110.1	M1 L2 L8 Y9	M1-I5 PolarHBondContact O-N 3.14Å; L2-I5 PolarHBondContact O-N 2.98Å; L2-I5 VanDerWaalsContact O-N 3.1Å; I5-L8 PolarHBondContact O-N 2.86Å; I5-Y9 HydrophobicContact CG2-CD2 4.35Å; I5-Y9 WeakPolarHBondContact O-CD2 3.29Å; I5-Y9 PolarHBondContact O-N 3.02Å; I5-Y9 VanDerWaalsContact O-N 3.11Å
6	V	41.8	Very low	43.5	Very low	60 Å²	60	114.6 Å²	114.6	36%	0.364	59%	0.59	S	S	.	*	H	α-helix	trans	-65.2	-47.2	175.3	174.3	0	0	0	0	110.3	L2 L3 L8 Y9 L10 L28	L2-V6 WeakPolarHBondContact O-CG2 3.48Å; L2-V6 PolarHBondContact O-N 3.34Å; L3-V6 PolarHBondContact O-N 3.25Å; V6-L8 VanDerWaalsContact C-N 3.32Å; V6-L8 PolarHBondContact O-N 2.72Å; V6-Y9 WeakPolarHBondContact O-CB 3.4Å; V6-Y9 PolarHBondContact O-N 2.84Å; V6-L10 HydrophobicContact CG1-CD1 3.67Å; V6-L10 WeakPolarHBondContact O-CD1 3.48Å; V6-L10 PolarHBondContact O-N 3.32Å; V6-L10 VanDerWaalsContact O-N 3.1Å; V6-L28 HydrophobicContact CG1-CD1 4.44Å
7	L	42.2	Very low	43	Very low	97 Å²	97	112.6 Å²	112.6	51%	0.508	59%	0.589	S	S	.	*	H	α-helix	trans	-60.5	-38.8	176.2	-70.7	169	0	0	0	112.8	L3 Y9 L10 D11	L3-L7 HydrophobicContact CG-CD1 4.33Å; L3-L7 WeakPolarHBondContact O-CB 3.38Å; L3-L7 WeakPolarHBondContact O-CG 3.43Å; L3-L7 PolarHBondContact O-N 2.98Å; L7-Y9 VanDerWaalsContact C-N 3.27Å; L7-Y9 PolarHBondContact O-N 3.35Å; L7-L10 PolarHBondContact O-N 3.42Å; L7-L10 VanDerWaalsContact O-N 3.12Å; L7-D11 PolarHBondContact O-N 2.84Å
8	L	45.5	Very low	42.7	Very low	130 Å²	130	111.3 Å²	111.3	68%	0.681	58%	0.583	S	S	*	*	H	α-helix	trans	-65.6	-28.5	174.8	-77.8	166.4	0	0	0	113.1	L4 I5 V6	L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 WeakPolarHBondContact O-CD1 3.24Å; L4-L8 WeakPolarHBondContact O-CG 3.05Å; L4-L8 PolarHBondContact O-N 3.03Å; I5-L8 PolarHBondContact O-N 2.86Å; V6-L8 VanDerWaalsContact C-N 3.32Å; V6-L8 PolarHBondContact O-N 2.72Å
9	Y	51.7	Low	42.9	Very low	176 Å²	176	113.9 Å²	113.9	69%	0.69	59%	0.592	S	S	*	*	H	α-helix	trans	-78.2	-22.1	172.6	-101.6	-88.2	0	0	0	113	I5 V6 L7	I5-Y9 HydrophobicContact CG2-CD2 4.35Å; I5-Y9 WeakPolarHBondContact O-CD2 3.29Å; I5-Y9 PolarHBondContact O-N 3.02Å; I5-Y9 VanDerWaalsContact O-N 3.11Å; V6-Y9 WeakPolarHBondContact O-CB 3.4Å; V6-Y9 PolarHBondContact O-N 2.84Å; L7-Y9 VanDerWaalsContact C-N 3.27Å; L7-Y9 PolarHBondContact O-N 3.35Å
10	L	42.5	Very low	43.1	Very low	55 Å²	55	110 Å²	110	29%	0.288	57%	0.573	S	S	.	*	H	α-helix	trans	-87.2	-21.5	-179.2	-89.9	85.1	0	0	0	113.9	V6 L7 E12 V34	V6-L10 HydrophobicContact CG1-CD1 3.67Å; V6-L10 WeakPolarHBondContact O-CD1 3.48Å; V6-L10 PolarHBondContact O-N 3.32Å; V6-L10 VanDerWaalsContact O-N 3.1Å; L7-L10 PolarHBondContact O-N 3.42Å; L7-L10 VanDerWaalsContact O-N 3.12Å; L10-E12 PolarHBondContact O-N 3.42Å; L10-V34 HydrophobicContact CD2-CG1 4.19Å
11	D	43.4	Very low	43.4	Very low	133 Å²	133	111.7 Å²	111.7	71%	0.711	58%	0.578	S	S	*	*			trans	-86.9	17.6	179.2	-157.2	26.2	0	0	0	113.1	L7 T13	L7-D11 PolarHBondContact O-N 2.84Å; D11-T13 PolarHBondContact O-N 2.94Å
12	E	48.5	Very low	43.5	Very low	97 Å²	97	103.5 Å²	103.5	45%	0.453	54%	0.539	S	S	.	.			trans	-75.1	96.5	-177.1	-157.2	162.5	-159.2	0	0	109.8	L10 Y14	L10-E12 PolarHBondContact O-N 3.42Å; E12-Y14 HydrophobicContact CB-CD2 4.26Å; E12-Y14 HydrophobicContact CB-CE2 3.66Å; E12-Y14 VanDerWaalsContact CD-CZ 3.46Å; E12-Y14 HydrophobicContact CG-CD2 4.31Å; E12-Y14 HydrophobicContact CG-CE1 4.08Å; E12-Y14 HydrophobicContact CG-CE2 3.76Å; E12-Y14 WeakPolarHBondContact O-CD2 3.35Å; E12-Y14 PolarHBondContact O-N 3.11Å; E12-Y14 VanDerWaalsContact OE2-CZ 3.23Å; E12-Y14 PolarHBondContact OE2-OH 3.1Å
13	T	45.8	Very low	44.1	Very low	119 Å²	119	101 Å²	101	73%	0.73	53%	0.53	S	S	*	.			trans	-69.7	94.3	172.4	56.4	0	0	0	0	109.4	D11 S15	D11-T13 PolarHBondContact O-N 2.94Å; T13-S15 PolarHBondContact O-N 3.45Å
14	Y	50.8	Low	44.8	Very low	126 Å²	126	96.6 Å²	96.6	49%	0.494	51%	0.508	S	S	.	.			trans	-76.1	105	173.9	-67.8	-83.7	0	0	0	110.4	E12	E12-Y14 HydrophobicContact CB-CD2 4.26Å; E12-Y14 HydrophobicContact CB-CE2 3.66Å; E12-Y14 VanDerWaalsContact CD-CZ 3.46Å; E12-Y14 HydrophobicContact CG-CD2 4.31Å; E12-Y14 HydrophobicContact CG-CE1 4.08Å; E12-Y14 HydrophobicContact CG-CE2 3.76Å; E12-Y14 WeakPolarHBondContact O-CD2 3.35Å; E12-Y14 PolarHBondContact O-N 3.11Å; E12-Y14 VanDerWaalsContact OE2-CZ 3.23Å; E12-Y14 PolarHBondContact OE2-OH 3.1Å
15	S	39.7	Very low	45.3	Very low	113 Å²	113	95.3 Å²	95.3	79%	0.79	51%	0.509	S	S	*	.			trans	-93.4	91.6	164.5	68.7	0	0	0	0	109.3	T13	T13-S15 PolarHBondContact O-N 3.45Å
16	L	39.7	Very low	45.3	Very low	65 Å²	65	93 Å²	93	34%	0.34	50%	0.499	S	S	.	.			trans	-97	132.3	175	-110.4	62.1	0	0	0	110.4	T20 V22 L40 P41	L16-T20 HydrophobicContact CB-CG2 4.28Å; L16-T20 HydrophobicContact CD2-CG2 3.63Å; L16-T20 HydrophobicContact CG-CG2 4Å; L16-V22 HydrophobicContact CD2-CG2 3.99Å; L16-L40 HydrophobicContact CB-CD2 4.48Å; L16-P41 WeakPolarHBondContact O-CD 3.33Å
17	S	33.6	Very low	45.6	Very low	82 Å²	82	94.8 Å²	94.8	57%	0.573	51%	0.514	S	S	*	.			trans	-116.1	122.1	-175.8	166.8	0	0	0	0	110.7
18	N	38.1	Very low	46.1	Very low	89 Å²	89	91.7 Å²	91.7	48%	0.476	50%	0.498	S	S	.	.	S	Bend	trans	76.2	113.1	171.9	-45.9	-45.8	0	0	0	114.7	K42	N18-K42 PolarHBondContact OD1-NZ 3.3Å
19	E	46.6	Very low	46.2	Very low	161 Å²	161	89.4 Å²	89.4	75%	0.752	49%	0.493	S	S	*	.	S	Bend	trans	33.4	89	175.4	-72.6	-173.2	-150.5	0	0	114.7
20	T	47.9	Very low	46.1	Very low	35 Å²	35	86 Å²	86	22%	0.215	49%	0.487	C	S	.	.			trans	-133.1	128.2	-178.1	40.6	0	0	0	0	109.6	L16 T44	L16-T20 HydrophobicContact CB-CG2 4.28Å; L16-T20 HydrophobicContact CD2-CG2 3.63Å; L16-T20 HydrophobicContact CG-CG2 4Å; T20-T44 WeakPolarHBondContact O-CG2 3.48Å
21	E	47.6	Very low	46.5	Very low	145 Å²	145	90.1 Å²	90.1	68%	0.678	50%	0.504	S	S	*	.			trans	-75.3	124.2	162.2	-172	-179	170.6	0	0	107.5
22	V	48.5	Very low	47	Very low	20 Å²	20	85.2 Å²	85.2	12%	0.121	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	106.6	176.3	-178.6	0	0	0	0	108.5	L16 L40 T44 E45 T47	L16-V22 HydrophobicContact CD2-CG2 3.99Å; V22-L40 HydrophobicContact CG2-CD2 4Å; V22-T44 HydrophobicContact CG2-CG2 4.2Å; V22-E45 PolarHBondContact N-O 3.45Å; V22-E45 VanDerWaalsContact N-O 3.11Å; V22-T47 PolarHBondContact O-N 3.28Å
23	T	48.8	Very low	47.2	Very low	86 Å²	86	87.9 Å²	87.9	53%	0.528	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.1	169.4	-41.7	0	0	0	0	109.2	T47	T23-T47 WeakPolarHBondContact CA-O 3.43Å
24	T	49.3	Very low	47.4	Very low	41 Å²	41	82.3 Å²	82.3	25%	0.252	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.4	173	-50.2	0	0	0	0	108.9	T47 M48 T49	T24-T47 PolarHBondContact N-O 2.95Å; T24-M48 HydrophobicContact CG2-CE 4.46Å; T24-M48 HydrophobicContact CG2-SD 4.28Å; T24-M48 WeakPolarHBondContact OG1-CE 3.39Å; T24-T49 PolarHBondContact O-N 3.24Å
25	S	48	Very low	47.4	Very low	90 Å²	90	80.1 Å²	80.1	63%	0.629	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.5	177	-64.7	0	0	0	0	109.7	T49	S25-T49 WeakPolarHBondContact CA-O 3.4Å; S25-T49 PolarHBondContact OG-OG1 3.01Å
26	T	50.5	Low	47.9	Very low	33 Å²	33	76.2 Å²	76.2	20%	0.202	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.4	-179	-57	0	0	0	0	109.6	T49 T50 S51	T26-T49 PolarHBondContact N-O 3.12Å; T26-T50 WeakPolarHBondContact O-CA 3.44Å; T26-S51 PolarHBondContact O-N 2.98Å
27	S	49.4	Very low	48.4	Very low	98 Å²	98	77.4 Å²	77.4	69%	0.685	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	125.5	172.1	-177.4	0	0	0	0	109.3	S51	S27-S51 WeakPolarHBondContact CA-O 3.43Å
28	L	52	Low	49.2	Very low	31 Å²	31	74.2 Å²	74.2	16%	0.162	42%	0.422	C	S	.	.			trans	-124.7	116.2	-176.4	-151.4	80.5	0	0	0	110.5	V6 N30 V34 S51 L52 P53 T56	V6-L28 HydrophobicContact CG1-CD1 4.44Å; L28-N30 WeakPolarHBondContact CD2-O 3.2Å; L28-N30 PolarHBondContact O-N 3.29Å; L28-V34 HydrophobicContact CD2-CG2 3.78Å; L28-S51 PolarHBondContact N-O 3.06Å; L28-L52 HydrophobicContact CB-CD2 3.62Å; L28-L52 HydrophobicContact CB-CG 4.28Å; L28-L52 HydrophobicContact CD2-CD2 3.95Å; L28-L52 HydrophobicContact CG-CD2 4.44Å; L28-P53 WeakPolarHBondContact O-CD 3.34Å; L28-P53 VanDerWaalsContact O-CG 3.29Å; L28-P53 WeakPolarHBondContact O-CG 3.32Å; L28-T56 HydrophobicContact CD2-CG2 4.31Å
29	S	48	Very low	49.8	Very low	83 Å²	83	73.7 Å²	73.7	58%	0.58	43%	0.426	S	S	*	.			trans	-80.6	-10.5	-173.3	-173.8	0	0	0	0	115.1
30	N	48.7	Very low	50	Low	104 Å²	104	66.2 Å²	66.2	56%	0.556	39%	0.391	S	S	*	.	S	Bend	trans	-138.9	156.5	-169.8	-69.2	-34	0	0	0	111.5	L28	L28-N30 WeakPolarHBondContact CD2-O 3.2Å; L28-N30 PolarHBondContact O-N 3.29Å
31	E	52.3	Low	49.9	Very low	141 Å²	141	67.2 Å²	67.2	66%	0.659	40%	0.398	S	S	*	.			trans	-49.4	137.3	174.7	-64.9	174.4	-166.4	0	0	111.5	K54	E31-K54 HydrophobicContact CG-CB 4.1Å
32	G	53.1	Low	50	Low	31 Å²	31	65.3 Å²	65.3	32%	0.32	39%	0.387	S	S	.	.			trans	171.9	158	-177.3	0	0	0	0	0	112.6	T56	G32-T56 VanDerWaalsContact O-CA 3.32Å; G32-T56 WeakPolarHBondContact O-CA 3.22Å; G32-T56 VanDerWaalsContact O-CB 3.22Å; G32-T56 WeakPolarHBondContact O-CB 3.44Å; G32-T56 WeakPolarHBondContact O-CG2 3.43Å
33	E	52.2	Low	50.1	Low	152 Å²	152	69.5 Å²	69.5	71%	0.71	41%	0.405	S	S	*	.			trans	-85	129.3	171	-64.5	-178.7	172.8	0	0	109.4	E57	E33-E57 WeakPolarHBondContact CA-O 2.98Å
34	V	51	Low	50.2	Low	2 Å²	2	65.7 Å²	65.7	1%	0.012	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.3	174.6	-178.8	0	0	0	0	108.5	L10 L28 L52 E57 V58 T59	L10-V34 HydrophobicContact CD2-CG1 4.19Å; L28-V34 HydrophobicContact CD2-CG2 3.78Å; V34-L52 HydrophobicContact CG2-CD2 3.87Å; V34-E57 PolarHBondContact N-O 3.27Å; V34-V58 HydrophobicContact CB-CG1 4.34Å; V34-V58 HydrophobicContact CB-CG2 4.29Å; V34-T59 PolarHBondContact O-N 3.11Å
35	T	51	Low	50.2	Low	80 Å²	80	69.2 Å²	69.2	49%	0.491	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	116.5	171.2	-58.8	0	0	0	0	109.6	T59	T35-T59 WeakPolarHBondContact CA-O 3.38Å
36	T	49.5	Very low	50.2	Low	32 Å²	32	64.9 Å²	64.9	20%	0.196	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.2	172.6	-53.7	0	0	0	0	108.8	T59 T61	T36-T59 PolarHBondContact N-O 2.98Å; T36-T59 VanDerWaalsContact N-O 3.12Å; T36-T61 PolarHBondContact O-N 2.97Å
37	T	49.8	Very low	50.2	Low	89 Å²	89	65.5 Å²	65.5	55%	0.546	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.1	173.7	-56	0	0	0	0	109.6	T61	T37-T61 WeakPolarHBondContact CA-O 3.22Å
38	T	51.6	Low	50.4	Low	15 Å²	15	61.5 Å²	61.5	9%	0.092	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.1	178.8	-42.7	0	0	0	0	109.7	L40 T61 S63	T38-L40 HydrophobicContact CG2-CD1 3.47Å; T38-L40 VanDerWaalsContact CG2-CD1 3.47Å; T38-L40 HydrophobicContact CG2-CG 4.07Å; T38-T61 PolarHBondContact N-O 3.17Å; T38-S63 PolarHBondContact O-N 3.04Å
39	S	50.1	Low	50.4	Low	79 Å²	79	62.5 Å²	62.5	55%	0.552	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	117	173.7	-172.7	0	0	0	0	109.8	S63	S39-S63 WeakPolarHBondContact CA-O 3.32Å
40	L	51.4	Low	50.5	Low	4 Å²	4	59.5 Å²	59.5	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.4	178.6	-57.8	120.2	0	0	0	111.7	L16 V22 T38 T44 V46 S63 L64 S65	L16-L40 HydrophobicContact CB-CD2 4.48Å; V22-L40 HydrophobicContact CG2-CD2 4Å; T38-L40 HydrophobicContact CG2-CD1 3.47Å; T38-L40 VanDerWaalsContact CG2-CD1 3.47Å; T38-L40 HydrophobicContact CG2-CG 4.07Å; L40-T44 HydrophobicContact CD1-CG2 4.1Å; L40-T44 HydrophobicContact CD2-CG2 3.55Å; L40-T44 HydrophobicContact CG-CG2 4.27Å; L40-V46 HydrophobicContact CD1-CG2 3.65Å; L40-S63 PolarHBondContact N-O 3.5Å; L40-L64 HydrophobicContact CB-CD2 3.52Å; L40-L64 HydrophobicContact CD1-CD2 3.44Å; L40-L64 VanDerWaalsContact CD1-CD2 3.44Å; L40-L64 HydrophobicContact CG-CD2 4.09Å; L40-S65 PolarHBondContact O-N 3.09Å
41	P	45.9	Very low	50.7	Low	56 Å²	56	57.3 Å²	57.3	36%	0.364	32%	0.318	S	S	.	.			trans	-87	-10.3	-170.4	31.2	-33.9	0	0	0	115.8	L16 S65 N66	L16-P41 WeakPolarHBondContact O-CD 3.33Å; P41-S65 VanDerWaalsContact CA-OG 3.29Å; P41-S65 WeakPolarHBondContact CA-OG 3.24Å; P41-S65 PolarHBondContact O-OG 3.11Å; P41-N66 PolarHBondContact O-ND2 3.04Å
42	K	48.7	Very low	50.7	Low	104 Å²	104	50.6 Å²	50.6	45%	0.452	29%	0.287	S	S	.	.	S	Bend	trans	-153.4	173.2	-175	-67.5	-170.1	-174.4	164.6	0	111.8	N18 T44	N18-K42 PolarHBondContact OD1-NZ 3.3Å; K42-T44 PolarHBondContact O-N 3.44Å; K42-T44 VanDerWaalsContact O-N 3.11Å; K42-T44 PolarHBondContact O-OG1 2.8Å
43	E	51.3	Low	50.4	Low	108 Å²	108	51.6 Å²	51.6	51%	0.505	29%	0.288	S	S	.	.			trans	-42.5	116.2	-177	-59.6	-177.9	-171.7	0	0	112.3	E67	E43-E67 WeakPolarHBondContact CA-O 3.45Å; E43-E67 HydrophobicContact CG-CB 4.35Å; E43-E67 WeakPolarHBondContact CG-O 3.17Å
44	T	50.2	Low	50.4	Low	7 Å²	7	49.1 Å²	49.1	4%	0.043	28%	0.275	C	S	.	.			trans	-144.2	124.9	-172	-55.7	0	0	0	0	107.9	T20 V22 L40 K42 V46 A68	T20-T44 WeakPolarHBondContact O-CG2 3.48Å; V22-T44 HydrophobicContact CG2-CG2 4.2Å; L40-T44 HydrophobicContact CD1-CG2 4.1Å; L40-T44 HydrophobicContact CD2-CG2 3.55Å; L40-T44 HydrophobicContact CG-CG2 4.27Å; K42-T44 PolarHBondContact O-N 3.44Å; K42-T44 VanDerWaalsContact O-N 3.11Å; K42-T44 PolarHBondContact O-OG1 2.8Å; T44-V46 HydrophobicContact CG2-CG2 3.54Å; T44-A68 WeakPolarHBondContact O-CB 2.83Å
45	E	49.2	Very low	50.5	Low	114 Å²	114	54.3 Å²	54.3	53%	0.533	30%	0.299	S	S	.	.			trans	-82	121	162.5	-67.9	-172.1	-175.9	0	0	108.7	V22 E69	V22-E45 PolarHBondContact N-O 3.45Å; V22-E45 VanDerWaalsContact N-O 3.11Å; E45-E69 WeakPolarHBondContact CA-O 3.18Å; E45-E69 HydrophobicContact CG-CB 4.39Å
46	V	49.4	Very low	50.4	Low	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	115	-179.4	-178	0	0	0	0	109.1	L40 T44 M48 E69 T71	L40-V46 HydrophobicContact CD1-CG2 3.65Å; T44-V46 HydrophobicContact CG2-CG2 3.54Å; V46-M48 HydrophobicContact CG1-CE 3.69Å; V46-M48 HydrophobicContact CG1-CG 3.78Å; V46-E69 PolarHBondContact N-O 2.84Å; V46-T71 PolarHBondContact O-N 3.17Å
47	T	50.5	Low	50.4	Low	45 Å²	45	53.8 Å²	53.8	28%	0.276	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.5	172	-61.5	0	0	0	0	109.7	V22 T23 T24 T49 T71	V22-T47 PolarHBondContact O-N 3.28Å; T23-T47 WeakPolarHBondContact CA-O 3.43Å; T24-T47 PolarHBondContact N-O 2.95Å; T47-T49 HydrophobicContact CG2-CG2 4.35Å; T47-T71 WeakPolarHBondContact CA-O 3.44Å
48	M	51.9	Low	50.4	Low	15 Å²	15	49.6 Å²	49.6	7%	0.074	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.6	179.1	-66.6	-97.5	156.7	0	0	108.8	T24 V46 T71 K72 S73	T24-M48 HydrophobicContact CG2-CE 4.46Å; T24-M48 HydrophobicContact CG2-SD 4.28Å; T24-M48 WeakPolarHBondContact OG1-CE 3.39Å; V46-M48 HydrophobicContact CG1-CE 3.69Å; V46-M48 HydrophobicContact CG1-CG 3.78Å; M48-T71 PolarHBondContact N-O 3.37Å; M48-K72 HydrophobicContact CB-CG 4.24Å; M48-S73 PolarHBondContact O-N 2.89Å
49	T	52.7	Low	50.3	Low	52 Å²	52	51.3 Å²	51.3	32%	0.319	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121	175.7	53.7	0	0	0	0	110.3	T24 S25 T26 T47 S73	T24-T49 PolarHBondContact O-N 3.24Å; S25-T49 WeakPolarHBondContact CA-O 3.4Å; S25-T49 PolarHBondContact OG-OG1 3.01Å; T26-T49 PolarHBondContact N-O 3.12Å; T47-T49 HydrophobicContact CG2-CG2 4.35Å; T49-S73 WeakPolarHBondContact CA-O 3.39Å
50	T	50.8	Low	50.3	Low	20 Å²	20	48.1 Å²	48.1	12%	0.123	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.5	-179.1	-43.9	0	0	0	0	110.2	T26 L52 S73 S75	T26-T50 WeakPolarHBondContact O-CA 3.44Å; T50-L52 HydrophobicContact CG2-CD1 3.37Å; T50-L52 HydrophobicContact CG2-CG 4.14Å; T50-S73 PolarHBondContact N-O 3.1Å; T50-S73 VanDerWaalsContact N-O 3.12Å; T50-S75 PolarHBondContact O-N 3.41Å
51	S	53.2	Low	50.3	Low	57 Å²	57	49.9 Å²	49.9	40%	0.399	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.1	175.7	-175.3	0	0	0	0	110.6	T26 S27 L28 S75	T26-S51 PolarHBondContact O-N 2.98Å; S27-S51 WeakPolarHBondContact CA-O 3.43Å; L28-S51 PolarHBondContact N-O 3.06Å; S51-S75 WeakPolarHBondContact CA-O 3.41Å
52	L	52.1	Low	50.5	Low	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	116.7	-179.1	-57.9	111.2	0	0	0	110.6	L28 V34 T50 T56 V58 S75 L76 S77	L28-L52 HydrophobicContact CB-CD2 3.62Å; L28-L52 HydrophobicContact CB-CG 4.28Å; L28-L52 HydrophobicContact CD2-CD2 3.95Å; L28-L52 HydrophobicContact CG-CD2 4.44Å; V34-L52 HydrophobicContact CG2-CD2 3.87Å; T50-L52 HydrophobicContact CG2-CD1 3.37Å; T50-L52 HydrophobicContact CG2-CG 4.14Å; L52-T56 HydrophobicContact CB-CG2 4.42Å; L52-T56 WeakPolarHBondContact CB-OG1 3.37Å; L52-T56 HydrophobicContact CD2-CG2 3.65Å; L52-T56 VanDerWaalsContact CD2-OG1 3.24Å; L52-T56 WeakPolarHBondContact CD2-OG1 3.11Å; L52-V58 HydrophobicContact CD1-CG2 3.57Å; L52-V58 HydrophobicContact CD2-CG2 4.16Å; L52-S75 PolarHBondContact N-O 3.05Å; L52-L76 HydrophobicContact CB-CD2 4.03Å; L52-L76 HydrophobicContact CD1-CD2 3.42Å; L52-L76 VanDerWaalsContact CD1-CD2 3.42Å; L52-L76 HydrophobicContact CG-CD2 4.38Å; L52-S77 PolarHBondContact O-N 2.93Å; L52-S77 VanDerWaalsContact O-N 3.17Å
53	P	46.6	Very low	50.6	Low	51 Å²	51	44.5 Å²	44.5	33%	0.331	24%	0.239	S	C	.	.	S	Bend	trans	-73.9	-11.2	176.4	19.2	-37.6	0	0	0	118.8	L28 S77	L28-P53 WeakPolarHBondContact O-CD 3.34Å; L28-P53 VanDerWaalsContact O-CG 3.29Å; L28-P53 WeakPolarHBondContact O-CG 3.32Å; P53-S77 CarbonylContact C-O 3.47Å
54	K	52	Low	50.7	Low	101 Å²	101	39.7 Å²	39.7	44%	0.439	22%	0.217	S	C	.	.	S	Bend	trans	-144	164	-173.2	-66	-173	179.3	-177.1	0	111.4	E31 T56	E31-K54 HydrophobicContact CG-CB 4.1Å; K54-T56 VanDerWaalsContact O-CG2 3.24Å; K54-T56 WeakPolarHBondContact O-CG2 3.19Å; K54-T56 PolarHBondContact O-N 3.26Å; K54-T56 PolarHBondContact O-OG1 2.56Å
55	E	52.2	Low	50.5	Low	111 Å²	111	41.7 Å²	41.7	52%	0.519	23%	0.23	S	C	.	.			trans	-49.3	108.9	-176.8	-62.9	-169	177.9	0	0	112	E79	E55-E79 HydrophobicContact CG-CB 4.45Å; E55-E79 WeakPolarHBondContact CG-O 3.29Å
56	T	49.5	Very low	50.5	Low	4 Å²	4	39.6 Å²	39.6	3%	0.025	22%	0.223	C	C	.	.			trans	-138.9	122.4	-175.7	50	0	0	0	0	109.7	L28 G32 L52 K54 V58 T80	L28-T56 HydrophobicContact CD2-CG2 4.31Å; G32-T56 VanDerWaalsContact O-CA 3.32Å; G32-T56 WeakPolarHBondContact O-CA 3.22Å; G32-T56 VanDerWaalsContact O-CB 3.22Å; G32-T56 WeakPolarHBondContact O-CB 3.44Å; G32-T56 WeakPolarHBondContact O-CG2 3.43Å; L52-T56 HydrophobicContact CB-CG2 4.42Å; L52-T56 WeakPolarHBondContact CB-OG1 3.37Å; L52-T56 HydrophobicContact CD2-CG2 3.65Å; L52-T56 VanDerWaalsContact CD2-OG1 3.24Å; L52-T56 WeakPolarHBondContact CD2-OG1 3.11Å; K54-T56 VanDerWaalsContact O-CG2 3.24Å; K54-T56 WeakPolarHBondContact O-CG2 3.19Å; K54-T56 PolarHBondContact O-N 3.26Å; K54-T56 PolarHBondContact O-OG1 2.56Å; T56-V58 PolarHBondContact O-N 3.32Å; T56-T80 WeakPolarHBondContact O-CG2 3.44Å; T56-T80 WeakPolarHBondContact OG1-CG2 2.96Å
57	E	50.2	Low	50.5	Low	97 Å²	97	45.1 Å²	45.1	45%	0.453	25%	0.249	S	C	.	.			trans	-76.9	117.7	171	-63	-159.9	157.5	0	0	109.2	E33 V34 K81	E33-E57 WeakPolarHBondContact CA-O 2.98Å; V34-E57 PolarHBondContact N-O 3.27Å; E57-K81 IonicContact OE1-NZ 3.77Å
58	V	48.5	Very low	50.3	Low	1 Å²	1	43.2 Å²	43.2	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115.5	-179.4	-177.7	0	0	0	0	109.1	V34 L52 T56 K81 L82 T83	V34-V58 HydrophobicContact CB-CG1 4.34Å; V34-V58 HydrophobicContact CB-CG2 4.29Å; L52-V58 HydrophobicContact CD1-CG2 3.57Å; L52-V58 HydrophobicContact CD2-CG2 4.16Å; T56-V58 PolarHBondContact O-N 3.32Å; V58-K81 PolarHBondContact N-O 2.65Å; V58-K81 VanDerWaalsContact N-O 3.12Å; V58-L82 HydrophobicContact CB-CD1 3.73Å; V58-L82 HydrophobicContact CG1-CD1 3.66Å; V58-T83 PolarHBondContact O-N 2.81Å
59	T	50.6	Low	50.1	Low	51 Å²	51	47.3 Å²	47.3	31%	0.313	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113.7	172.6	-61	0	0	0	0	109.7	V34 T35 T36 T83	V34-T59 PolarHBondContact O-N 3.11Å; T35-T59 WeakPolarHBondContact CA-O 3.38Å; T36-T59 PolarHBondContact N-O 2.98Å; T36-T59 VanDerWaalsContact N-O 3.12Å; T59-T83 WeakPolarHBondContact CA-O 3.32Å
60	T	49.9	Very low	50	Low	12 Å²	12	45 Å²	45	7%	0.074	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.8	175.6	-54.4	0	0	0	0	110	T83 T85	T60-T83 PolarHBondContact N-O 3.01Å; T60-T85 PolarHBondContact O-N 3.04Å
61	T	50.9	Low	49.9	Very low	40 Å²	40	47.4 Å²	47.4	25%	0.245	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	118.3	176.1	-56.5	0	0	0	0	110.1	T36 T37 T38 T85	T36-T61 PolarHBondContact O-N 2.97Å; T37-T61 WeakPolarHBondContact CA-O 3.22Å; T38-T61 PolarHBondContact N-O 3.17Å; T61-T85 WeakPolarHBondContact CA-O 3.39Å
62	T	51.2	Low	49.9	Very low	1 Å²	1	45.1 Å²	45.1	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.9	178.5	-48.5	0	0	0	0	109.7	L64 I70 K72 T85 S87	T62-L64 HydrophobicContact CG2-CD1 4.06Å; T62-L64 HydrophobicContact CG2-CD2 4.24Å; T62-L64 HydrophobicContact CG2-CG 4.02Å; T62-I70 HydrophobicContact CG2-CD1 4.22Å; T62-K72 PolarHBondContact OG1-NZ 3.23Å; T62-T85 PolarHBondContact N-O 3.04Å; T62-S87 PolarHBondContact O-N 3.33Å
63	S	50.4	Low	49.9	Very low	47 Å²	47	47.9 Å²	47.9	33%	0.329	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.7	178.7	-68.1	0	0	0	0	110.8	T38 S39 L40 S87	T38-S63 PolarHBondContact O-N 3.04Å; S39-S63 WeakPolarHBondContact CA-O 3.32Å; L40-S63 PolarHBondContact N-O 3.5Å; S63-S87 WeakPolarHBondContact CA-O 3.3Å
64	L	52.4	Low	50	Low	7 Å²	7	46 Å²	46	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.4	-174.7	-56.6	170.9	0	0	0	111	L40 T62 A68 I70 S87 I88 T89	L40-L64 HydrophobicContact CB-CD2 3.52Å; L40-L64 HydrophobicContact CD1-CD2 3.44Å; L40-L64 VanDerWaalsContact CD1-CD2 3.44Å; L40-L64 HydrophobicContact CG-CD2 4.09Å; T62-L64 HydrophobicContact CG2-CD1 4.06Å; T62-L64 HydrophobicContact CG2-CD2 4.24Å; T62-L64 HydrophobicContact CG2-CG 4.02Å; L64-A68 HydrophobicContact CB-CB 4.48Å; L64-A68 HydrophobicContact CD1-CB 3.39Å; L64-A68 HydrophobicContact CG-CB 4.37Å; L64-I70 HydrophobicContact CD1-CD1 3.46Å; L64-I70 VanDerWaalsContact CD1-CD1 3.46Å; L64-I70 HydrophobicContact CD1-CG1 3.77Å; L64-S87 PolarHBondContact N-O 3.29Å; L64-I88 HydrophobicContact CB-CG1 4.25Å; L64-I88 HydrophobicContact CD1-CG1 4.3Å; L64-I88 WeakPolarHBondContact O-CA 3.32Å; L64-T89 PolarHBondContact O-N 3.12Å; L64-T89 VanDerWaalsContact O-N 3.11Å; L64-T89 PolarHBondContact O-OG1 2.95Å
65	S	46.8	Very low	50.1	Low	48 Å²	48	44.4 Å²	44.4	34%	0.336	25%	0.249	S	C	.	.	S	Bend	trans	-89.2	-18.3	-177.1	60.1	0	0	0	0	115.6	L40 P41 T89	L40-S65 PolarHBondContact O-N 3.09Å; P41-S65 VanDerWaalsContact CA-OG 3.29Å; P41-S65 WeakPolarHBondContact CA-OG 3.24Å; P41-S65 PolarHBondContact O-OG 3.11Å; S65-T89 VanDerWaalsContact CA-OG1 3.3Å; S65-T89 WeakPolarHBondContact CA-OG1 3.33Å; S65-T89 PolarHBondContact O-OG1 3.04Å; S65-T89 VanDerWaalsContact O-OG1 3.11Å
66	N	48.4	Very low	50	Low	71 Å²	71	39.3 Å²	39.3	38%	0.38	23%	0.225	S	C	.	.	S	Bend	trans	-144.2	176.3	-177.3	-68.6	-43.1	0	0	0	111.5	P41 A68	P41-N66 PolarHBondContact O-ND2 3.04Å; N66-A68 PolarHBondContact O-N 3.11Å
67	E	50.5	Low	49.8	Very low	115 Å²	115	41.6 Å²	41.6	54%	0.537	24%	0.241	S	C	.	.			trans	-50.7	125.9	-171.2	-52.4	-161.6	163.6	0	0	113.3	E43 G91 S92	E43-E67 WeakPolarHBondContact CA-O 3.45Å; E43-E67 HydrophobicContact CG-CB 4.35Å; E43-E67 WeakPolarHBondContact CG-O 3.17Å; E67-G91 WeakPolarHBondContact CA-O 3.35Å; E67-G91 VanDerWaalsContact CB-O 3.29Å; E67-G91 WeakPolarHBondContact CB-O 3.21Å; E67-G91 VanDerWaalsContact CG-O 3.24Å; E67-G91 WeakPolarHBondContact CG-O 2.97Å; E67-S92 WeakPolarHBondContact CA-OG 3.35Å
68	A	46.4	Very low	49.7	Very low	5 Å²	5	39.8 Å²	39.8	4%	0.041	24%	0.235	C	C	.	.			trans	-147.2	130.6	-177.2	0	0	0	0	0	112.6	T44 L64 N66 S92	T44-A68 WeakPolarHBondContact O-CB 2.83Å; L64-A68 HydrophobicContact CB-CB 4.48Å; L64-A68 HydrophobicContact CD1-CB 3.39Å; L64-A68 HydrophobicContact CG-CB 4.37Å; N66-A68 PolarHBondContact O-N 3.11Å; A68-S92 PolarHBondContact N-OG 2.86Å; A68-S92 WeakPolarHBondContact O-CB 3.44Å
69	E	46.8	Very low	49.8	Very low	102 Å²	102	46.1 Å²	46.1	48%	0.477	26%	0.264	S	S	.	.			trans	-86.1	118.4	169.9	-62.4	-156.2	158.2	0	0	109.6	E45 V46	E45-E69 WeakPolarHBondContact CA-O 3.18Å; E45-E69 HydrophobicContact CG-CB 4.39Å; V46-E69 PolarHBondContact N-O 2.84Å
70	I	49.7	Very low	49.6	Very low	3 Å²	3	44.1 Å²	44.1	2%	0.015	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.5	178.6	-53.8	173	0	0	0	108.9	T62 L64 K72 T86 I88 T95	T62-I70 HydrophobicContact CG2-CD1 4.22Å; L64-I70 HydrophobicContact CD1-CD1 3.46Å; L64-I70 VanDerWaalsContact CD1-CD1 3.46Å; L64-I70 HydrophobicContact CD1-CG1 3.77Å; I70-K72 HydrophobicContact CG2-CD 4.18Å; I70-K72 HydrophobicContact CG2-CG 3.92Å; I70-T86 HydrophobicContact CD1-CG2 3.51Å; I70-I88 HydrophobicContact CD1-CD1 4.05Å; I70-T95 PolarHBondContact O-N 3.34Å
71	T	50.1	Low	49.5	Very low	71 Å²	71	50.4 Å²	50.4	44%	0.436	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	109.1	169.4	-59.6	0	0	0	0	109.4	V46 T47 M48	V46-T71 PolarHBondContact O-N 3.17Å; T47-T71 WeakPolarHBondContact CA-O 3.44Å; M48-T71 PolarHBondContact N-O 3.37Å
72	K	52.5	Low	49.4	Very low	8 Å²	8	50.5 Å²	50.5	4%	0.035	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.2	173.5	-74.4	174.4	-179.6	178.1	0	109.4	M48 T62 I70 T84 T86 T95 A97	M48-K72 HydrophobicContact CB-CG 4.24Å; T62-K72 PolarHBondContact OG1-NZ 3.23Å; I70-K72 HydrophobicContact CG2-CD 4.18Å; I70-K72 HydrophobicContact CG2-CG 3.92Å; K72-T84 HydrophobicContact CD-CG2 3.69Å; K72-T86 PolarHBondContact NZ-OG1 2.94Å; K72-T95 PolarHBondContact N-O 2.96Å; K72-A97 PolarHBondContact O-N 2.98Å
73	S	51.6	Low	49.3	Very low	59 Å²	59	54.1 Å²	54.1	41%	0.413	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.1	172.8	-164.4	0	0	0	0	109.7	M48 T49 T50	M48-S73 PolarHBondContact O-N 2.89Å; T49-S73 WeakPolarHBondContact CA-O 3.39Å; T50-S73 PolarHBondContact N-O 3.1Å; T50-S73 VanDerWaalsContact N-O 3.12Å
74	T	50.3	Low	49.3	Very low	11 Å²	11	53.5 Å²	53.5	7%	0.067	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.8	178.5	-47.2	0	0	0	0	109.5	L76 L82 A97 K99	T74-L76 HydrophobicContact CG2-CD1 3.95Å; T74-L76 HydrophobicContact CG2-CD2 3.48Å; T74-L76 VanDerWaalsContact CG2-CD2 3.48Å; T74-L76 HydrophobicContact CG2-CG 3.66Å; T74-L82 HydrophobicContact CG2-CD1 4.31Å; T74-L82 HydrophobicContact CG2-CD2 4.13Å; T74-A97 PolarHBondContact N-O 3.12Å; T74-A97 VanDerWaalsContact N-O 3.11Å; T74-K99 PolarHBondContact O-N 2.88Å; T74-K99 VanDerWaalsContact O-N 3.11Å
75	S	52.7	Low	49.2	Very low	69 Å²	69	56.2 Å²	56.2	48%	0.483	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.8	173	178.6	0	0	0	0	109.2	T50 S51 L52	T50-S75 PolarHBondContact O-N 3.41Å; S51-S75 WeakPolarHBondContact CA-O 3.41Å; L52-S75 PolarHBondContact N-O 3.05Å
76	L	51.4	Low	49.4	Very low	3 Å²	3	55.8 Å²	55.8	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.6	-175.2	-54.4	175.5	0	0	0	109.3	L52 T74 T80 L82 K99 S101	L52-L76 HydrophobicContact CB-CD2 4.03Å; L52-L76 HydrophobicContact CD1-CD2 3.42Å; L52-L76 VanDerWaalsContact CD1-CD2 3.42Å; L52-L76 HydrophobicContact CG-CD2 4.38Å; T74-L76 HydrophobicContact CG2-CD1 3.95Å; T74-L76 HydrophobicContact CG2-CD2 3.48Å; T74-L76 VanDerWaalsContact CG2-CD2 3.48Å; T74-L76 HydrophobicContact CG2-CG 3.66Å; L76-T80 HydrophobicContact CB-CG2 4.3Å; L76-T80 HydrophobicContact CD1-CG2 3.68Å; L76-T80 HydrophobicContact CD2-CG2 3.87Å; L76-T80 HydrophobicContact CG-CG2 4.13Å; L76-L82 HydrophobicContact CD1-CB 4.14Å; L76-K99 PolarHBondContact N-O 2.82Å; L76-S101 PolarHBondContact O-N 2.83Å; L76-S101 VanDerWaalsContact O-N 3.09Å
77	S	44.9	Very low	49.4	Very low	53 Å²	53	55.6 Å²	55.6	37%	0.371	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	116.2	172	177.6	0	0	0	0	107.9	L52 P53	L52-S77 PolarHBondContact O-N 2.93Å; L52-S77 VanDerWaalsContact O-N 3.17Å; P53-S77 CarbonylContact C-O 3.47Å
78	N	48.5	Very low	49.6	Very low	59 Å²	59	52.5 Å²	52.5	32%	0.316	30%	0.297	S	S	.	.	S	Bend	trans	82.8	172.9	-177.1	-48.2	-44.1	0	0	0	115.9	T80 S101	N78-T80 WeakPolarHBondContact O-CB 3.33Å; N78-T80 PolarHBondContact O-N 3.12Å; N78-T80 PolarHBondContact O-OG1 2.85Å; N78-S101 PolarHBondContact N-O 3.05Å
79	E	50.1	Low	49.7	Very low	134 Å²	134	56.9 Å²	56.9	63%	0.626	32%	0.323	S	S	*	.	S	Bend	trans	-54.7	93.1	-168.2	-73.5	-166.4	-176.1	0	0	112.8	E55	E55-E79 HydrophobicContact CG-CB 4.45Å; E55-E79 WeakPolarHBondContact CG-O 3.29Å
80	T	46.3	Very low	49.5	Very low	9 Å²	9	57 Å²	57	6%	0.055	32%	0.324	C	S	.	.			trans	-125.8	121.1	-172.8	-45.1	0	0	0	0	109.2	T56 L76 N78 N100	T56-T80 WeakPolarHBondContact O-CG2 3.44Å; T56-T80 WeakPolarHBondContact OG1-CG2 2.96Å; L76-T80 HydrophobicContact CB-CG2 4.3Å; L76-T80 HydrophobicContact CD1-CG2 3.68Å; L76-T80 HydrophobicContact CD2-CG2 3.87Å; L76-T80 HydrophobicContact CG-CG2 4.13Å; N78-T80 WeakPolarHBondContact O-CB 3.33Å; N78-T80 PolarHBondContact O-N 3.12Å; N78-T80 PolarHBondContact O-OG1 2.85Å; T80-N100 PolarHBondContact O-ND2 2.93Å
81	K	47.7	Very low	49.3	Very low	144 Å²	144	59 Å²	59	63%	0.626	35%	0.345	S	S	*	.			trans	-86.5	116.7	174.4	-68.7	179	-168.8	158.9	0	109.5	E57 V58	E57-K81 IonicContact OE1-NZ 3.77Å; V58-K81 PolarHBondContact N-O 2.65Å; V58-K81 VanDerWaalsContact N-O 3.12Å
82	L	49	Very low	49.2	Very low	42 Å²	42	57.9 Å²	57.9	22%	0.22	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.2	173.2	179	67.8	0	0	0	109.8	V58 T74 L76 S98	V58-L82 HydrophobicContact CB-CD1 3.73Å; V58-L82 HydrophobicContact CG1-CD1 3.66Å; T74-L82 HydrophobicContact CG2-CD1 4.31Å; T74-L82 HydrophobicContact CG2-CD2 4.13Å; L76-L82 HydrophobicContact CD1-CB 4.14Å; L82-S98 WeakPolarHBondContact CD2-OG 3.24Å
83	T	49.4	Very low	48.9	Very low	76 Å²	76	62.8 Å²	62.8	47%	0.466	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	113.2	170.8	-58.1	0	0	0	0	109.2	V58 T59 T60	V58-T83 PolarHBondContact O-N 2.81Å; T59-T83 WeakPolarHBondContact CA-O 3.32Å; T60-T83 PolarHBondContact N-O 3.01Å
84	T	50.4	Low	48.7	Very low	35 Å²	35	62.9 Å²	62.9	22%	0.215	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.9	175.8	-61.7	0	0	0	0	109.9	K72 I96	K72-T84 HydrophobicContact CD-CG2 3.69Å; T84-I96 HydrophobicContact CG2-CD1 3.85Å; T84-I96 HydrophobicContact CG2-CG1 4.38Å
85	T	50.5	Low	48.6	Very low	64 Å²	64	66.5 Å²	66.5	39%	0.393	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.5	172	-55.3	0	0	0	0	109.4	T60 T61 T62	T60-T85 PolarHBondContact O-N 3.04Å; T61-T85 WeakPolarHBondContact CA-O 3.39Å; T62-T85 PolarHBondContact N-O 3.04Å
86	T	50.2	Low	48.6	Very low	38 Å²	38	67.4 Å²	67.4	23%	0.233	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.7	175.8	-61.4	0	0	0	0	108.3	I70 K72 I88 T94	I70-T86 HydrophobicContact CD1-CG2 3.51Å; K72-T86 PolarHBondContact NZ-OG1 2.94Å; T86-I88 HydrophobicContact CG2-CD1 3.65Å; T86-I88 HydrophobicContact CG2-CG1 3.8Å; T86-T94 HydrophobicContact CG2-CG2 4.33Å
87	S	49.5	Very low	48.6	Very low	68 Å²	68	69.5 Å²	69.5	48%	0.476	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.1	174.5	-71.8	0	0	0	0	109.5	T62 S63 L64	T62-S87 PolarHBondContact O-N 3.33Å; S63-S87 WeakPolarHBondContact CA-O 3.3Å; L64-S87 PolarHBondContact N-O 3.29Å
88	I	53.1	Low	48.8	Very low	49 Å²	49	69.9 Å²	69.9	25%	0.251	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128	-178.2	-59.8	161.2	0	0	0	107.9	L64 I70 T86 Q90 S92	L64-I88 HydrophobicContact CB-CG1 4.25Å; L64-I88 HydrophobicContact CD1-CG1 4.3Å; L64-I88 WeakPolarHBondContact O-CA 3.32Å; I70-I88 HydrophobicContact CD1-CD1 4.05Å; T86-I88 HydrophobicContact CG2-CD1 3.65Å; T86-I88 HydrophobicContact CG2-CG1 3.8Å; I88-Q90 WeakPolarHBondContact CG2-O 3.5Å; I88-S92 VanDerWaalsContact CG2-OG 3.32Å; I88-S92 WeakPolarHBondContact CG2-OG 3.49Å
89	T	49.6	Very low	49	Very low	98 Å²	98	75 Å²	75	60%	0.601	42%	0.42	S	S	*	.	S	Bend	trans	-88	-14.8	-175.3	51.3	0	0	0	0	114.6	L64 S65	L64-T89 PolarHBondContact O-N 3.12Å; L64-T89 VanDerWaalsContact O-N 3.11Å; L64-T89 PolarHBondContact O-OG1 2.95Å; S65-T89 VanDerWaalsContact CA-OG1 3.3Å; S65-T89 WeakPolarHBondContact CA-OG1 3.33Å; S65-T89 PolarHBondContact O-OG1 3.04Å; S65-T89 VanDerWaalsContact O-OG1 3.11Å
90	Q	42.8	Very low	48.8	Very low	104 Å²	104	72.7 Å²	72.7	49%	0.486	41%	0.412	S	S	.	.	S	Bend	trans	-153	126.6	175.7	-69.7	-67.2	-80.4	0	0	112.3	I88 S92	I88-Q90 WeakPolarHBondContact CG2-O 3.5Å; Q90-S92 PolarHBondContact O-OG 2.97Å
91	G	45.5	Very low	48.9	Very low	45 Å²	45	76.1 Å²	76.1	46%	0.464	44%	0.437	S	S	.	.			trans	37.6	92.7	165.6	0	0	0	0	0	118.6	E67	E67-G91 WeakPolarHBondContact CA-O 3.35Å; E67-G91 VanDerWaalsContact CB-O 3.29Å; E67-G91 WeakPolarHBondContact CB-O 3.21Å; E67-G91 VanDerWaalsContact CG-O 3.24Å; E67-G91 WeakPolarHBondContact CG-O 2.97Å
92	S	46.8	Very low	48.8	Very low	47 Å²	47	72.7 Å²	72.7	33%	0.329	43%	0.428	S	S	.	.			trans	-159.5	160.7	166.3	-19.9	0	0	0	0	115.8	E67 A68 I88 Q90	E67-S92 WeakPolarHBondContact CA-OG 3.35Å; A68-S92 PolarHBondContact N-OG 2.86Å; A68-S92 WeakPolarHBondContact O-CB 3.44Å; I88-S92 VanDerWaalsContact CG2-OG 3.32Å; I88-S92 WeakPolarHBondContact CG2-OG 3.49Å; Q90-S92 PolarHBondContact O-OG 2.97Å
93	K	46.7	Very low	48.7	Very low	112 Å²	112	77.3 Å²	77.3	49%	0.487	45%	0.446	S	S	.	.			trans	-90.8	129.8	174.5	-64.4	175.6	-172.4	160.5	0	109.8
94	T	46.4	Very low	48.6	Very low	60 Å²	60	80.4 Å²	80.4	37%	0.368	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.8	171.6	-61.1	0	0	0	0	108.7	T86 I96	T86-T94 HydrophobicContact CG2-CG2 4.33Å; T94-I96 HydrophobicContact CG2-CD1 4.29Å; T94-I96 HydrophobicContact CG2-CG1 3.99Å
95	T	48.7	Very low	48.4	Very low	88 Å²	88	85 Å²	85	54%	0.54	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.4	172.4	-59.9	0	0	0	0	109	I70 K72	I70-T95 PolarHBondContact O-N 3.34Å; K72-T95 PolarHBondContact N-O 2.96Å
96	I	53.3	Low	48.3	Very low	87 Å²	87	89.4 Å²	89.4	45%	0.446	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	114.7	177	-56.4	172.6	0	0	0	106.8	T84 T94	T84-I96 HydrophobicContact CG2-CD1 3.85Å; T84-I96 HydrophobicContact CG2-CG1 4.38Å; T94-I96 HydrophobicContact CG2-CD1 4.29Å; T94-I96 HydrophobicContact CG2-CG1 3.99Å
97	A	52.1	Low	48.1	Very low	48 Å²	48	95.2 Å²	95.2	40%	0.397	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	112.9	171.7	0	0	0	0	0	109.1	K72 T74	K72-A97 PolarHBondContact O-N 2.98Å; T74-A97 PolarHBondContact N-O 3.12Å; T74-A97 VanDerWaalsContact N-O 3.11Å
98	S	49	Very low	48.2	Very low	60 Å²	60	98.9 Å²	98.9	42%	0.42	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.8	176.1	-56.4	0	0	0	0	109.2	L82	L82-S98 WeakPolarHBondContact CD2-OG 3.24Å
99	K	52.3	Low	48.2	Very low	168 Å²	168	103 Å²	103	73%	0.73	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116.7	110.7	170.5	-66.7	-177.1	-177.9	178.6	0	108.1	T74 L76	T74-K99 PolarHBondContact O-N 2.88Å; T74-K99 VanDerWaalsContact O-N 3.11Å; L76-K99 PolarHBondContact N-O 2.82Å
100	N	46.6	Very low	48.3	Very low	85 Å²	85	105.2 Å²	105.2	46%	0.455	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.5	126	169.5	-76.8	33.6	0	0	0	108	T80	T80-N100 PolarHBondContact O-ND2 2.93Å
101	S	47.6	Very low	48.3	Very low	81 Å²	81	103.4 Å²	103.4	57%	0.566	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.8	104.7	166.2	-173.4	0	0	0	0	107.7	L76 N78 K103	L76-S101 PolarHBondContact O-N 2.83Å; L76-S101 VanDerWaalsContact O-N 3.09Å; N78-S101 PolarHBondContact N-O 3.05Å; S101-K103 PolarHBondContact O-N 2.94Å
102	T	45.1	Very low	48.6	Very low	72 Å²	72	106.9 Å²	106.9	44%	0.442	58%	0.58	S	S	.	*			trans	-86.6	103.9	170.4	-53.3	0	0	0	0	107.5	H104	T102-H104 WeakPolarHBondContact CG2-NE2 3.29Å; T102-H104 PolarHBondContact O-N 2.87Å
103	K	48	Very low	49.1	Very low	138 Å²	138	111.4 Å²	111.4	60%	0.6	60%	0.601	S	S	*	*			trans	-90.7	92.6	168.7	-168	174.6	-176.6	179.4	0	107.7	S101 H105	S101-K103 PolarHBondContact O-N 2.94Å; K103-H105 VanDerWaalsContact CE-CE1 3.48Å; K103-H105 WeakPolarHBondContact CE-CE1 3.46Å; K103-H105 PolarHBondContact O-N 2.97Å
104	H	46.3	Very low	49.3	Very low	141 Å²	141	112.9 Å²	112.9	65%	0.653	61%	0.614	S	S	*	*			trans	-64.5	100.4	168.3	-76.6	-75.3	0	0	0	108.4	T102 H106	T102-H104 WeakPolarHBondContact CG2-NE2 3.29Å; T102-H104 PolarHBondContact O-N 2.87Å; H104-H106 PolarHBondContact O-N 3.2Å
105	H	46.4	Very low	50	Low	131 Å²	131	118.3 Å²	118.3	61%	0.606	64%	0.635	S	S	*	*			trans	-78.6	100.3	162.4	-93.4	78.1	0	0	0	107.2	K103 H107	K103-H105 VanDerWaalsContact CE-CE1 3.48Å; K103-H105 WeakPolarHBondContact CE-CE1 3.46Å; K103-H105 PolarHBondContact O-N 2.97Å; H105-H107 PolarHBondContact O-N 2.83Å
106	H	48.9	Very low	50.3	Low	158 Å²	158	120.2 Å²	120.2	73%	0.731	64%	0.642	S	S	*	*			trans	-69.6	106.7	157.2	-90.9	-80.9	0	0	0	107.3	H104	H104-H106 PolarHBondContact O-N 3.2Å
107	H	46.3	Very low	50.3	Low	160 Å²	160	122.4 Å²	122.4	74%	0.741	65%	0.654	S	S	*	*			trans	-92.6	94.1	161.7	-97.3	-73.6	0	0	0	106.4	H105	H105-H107 PolarHBondContact O-N 2.83Å
108	D	51.2	Low	50.7	Low	144 Å²	144	128.8 Å²	128.8	77%	0.77	68%	0.675	S	S	*	*			trans	-92.7	106.1	157.9	-67.9	-47.1	0	0	0	106
109	D	52.5	Low	50.9	Low	137 Å²	137	132.6 Å²	132.6	73%	0.733	69%	0.691	S	S	*	*			trans	-72.4	159.4	-178.9	-153.2	-5.2	0	0	0	110.5
110	D	51.6	Low	51.2	Low	143 Å²	143	131.5 Å²	131.5	77%	0.765	69%	0.693	S	S	*	*			trans	-39.9	148.5	-177.9	68.7	42	0	0	0	114.9
111	G	43.8	Very low	51.5	Low	66 Å²	66	134 Å²	134	68%	0.68	71%	0.707	S	S	*	*			cis	130.1	71	31.4	0	0	0	0	0	106.7
112	T	51.3	Low	51.9	Low	118 Å²	118	137 Å²	137	72%	0.724	72%	0.717	S	S	*	*			trans	-144.2	142.1	167.5	57.3	0	0	0	0	110.7
113	D	56.7	Low	52.5	Low	143 Å²	143	141.5 Å²	141.5	77%	0.765	74%	0.738	S	S	*	*			trans	92.2	85.9	156.7	-51.7	-26.8	0	0	0	116.4
114	D	52	Low	52.9	Low	142 Å²	142	141.1 Å²	141.1	76%	0.759	74%	0.742	S	S	*	*				5.7	119	124.2	-61.8	-28.2	0	0	0	114.3
115	H	60	Low	53.5	Low	175 Å²	175	141.5 Å²	141.5	81%	0.81	75%	0.749	S	S	*	*			trans	177	108.6	130.3	-88.2	-52.8	0	0	0	110.7
116	D	55.7	Low	54.2	Low	127 Å²	127	140.9 Å²	140.9	68%	0.679	75%	0.75	S	S	*	*			trans	25	128.1	134.5	-54.1	-34.9	0	0	0	120.1
117	D	53.5	Low	54.7	Low	133 Å²	133	140.6 Å²	140.6	71%	0.711	75%	0.754	S	S	*	*			trans	60.7	109.3	138.8	-53.2	-18.6	0	0	0	118
118	H	59.2	Low	55.3	Low	182 Å²	182	140 Å²	140	84%	0.843	75%	0.751	S	S	*	*				-174.7	134.1	106.8	-94.8	-59.1	0	0	0	111.3
119	D	53.2	Low	55.7	Low	140 Å²	140	139.9 Å²	139.9	75%	0.749	75%	0.751	S	S	*	*			trans	-46.3	140	160.7	-52.7	-62.2	0	0	0	110.6
120	D	58.9	Low	55.8	Low	146 Å²	146	141.9 Å²	141.9	78%	0.781	76%	0.756	S	S	*	*			trans	-175	116.7	135.8	-83.1	-24.8	0	0	0	107.9
121	D	52.4	Low	56	Low	137 Å²	137	140.7 Å²	140.7	73%	0.733	75%	0.749	S	S	*	*			trans	27.3	117.5	137.5	-51.3	-29.4	0	0	0	117.9
122	D	56.9	Low	56.3	Low	145 Å²	145	142.3 Å²	142.3	78%	0.775	76%	0.756	S	S	*	*				-174.3	106.4	126.7	-85	-28.9	0	0	0	109.1	D124	D122-D124 PolarHBondContact O-N 3.37Å
123	D	56.8	Low	56	Low	165 Å²	165	147.1 Å²	147.1	88%	0.882	76%	0.761	S	S	*	*			trans	-70.6	89.6	171.5	-73.5	-46.6	0	0	0	109.1	D125	D123-D125 PolarHBondContact O-N 2.88Å; D123-D125 VanDerWaalsContact O-N 3.14Å
124	D	57.3	Low	55.5	Low	131 Å²	131	146.5 Å²	146.5	70%	0.701	76%	0.758	S	S	*	*			trans	-80	81.6	173.2	-74.7	-29.9	0	0	0	111.1	D122 D126	D122-D124 PolarHBondContact O-N 3.37Å; D124-D126 PolarHBondContact O-N 2.64Å; D124-D126 VanDerWaalsContact O-N 3.12Å
125	D	58.6	Low	55	Low	148 Å²	148	145.4 Å²	145.4	79%	0.791	76%	0.761	S	S	*	*			trans	-78.9	68.5	160.2	-77.7	-29.7	0	0	0	109.5	D123 D127	D123-D125 PolarHBondContact O-N 2.88Å; D123-D125 VanDerWaalsContact O-N 3.14Å; D125-D127 PolarHBondContact O-N 2.98Å
126	D	61.4	Low	54.2	Low	119 Å²	119	142.6 Å²	142.6	64%	0.636	76%	0.756	S	S	*	*			trans	-87	83.3	173.1	-94.3	-25.1	0	0	0	110.8	D124 H128	D124-D126 PolarHBondContact O-N 2.64Å; D124-D126 VanDerWaalsContact O-N 3.12Å; D126-H128 PolarHBondContact O-N 3.11Å
127	D	59.1	Low	53.7	Low	151 Å²	151	141.3 Å²	141.3	81%	0.807	76%	0.757	S	S	*	*			trans	-64.3	81	164	-70.6	-30.6	0	0	0	110.2	D125 D129	D125-D127 PolarHBondContact O-N 2.98Å; D127-D129 VanDerWaalsContact C-N 3.27Å; D127-D129 PolarHBondContact O-N 3.29Å
128	H	58.5	Low	53.4	Low	147 Å²	147	140 Å²	140	68%	0.681	75%	0.754	S	S	*	*			trans	-78.7	78.5	168.1	-84.5	-12.9	0	0	0	111	D126 H130	D126-H128 PolarHBondContact O-N 3.11Å; H128-H130 PolarHBondContact O-N 2.95Å
129	D	59.4	Low	52.6	Low	143 Å²	143	137.4 Å²	137.4	77%	0.765	75%	0.751	S	S	*	*			trans	-59.3	100.5	159.2	-99.3	-22.3	0	0	0	109.1	D127 D131	D127-D129 VanDerWaalsContact C-N 3.27Å; D127-D129 PolarHBondContact O-N 3.29Å; D129-D131 PolarHBondContact O-N 3.36Å
130	H	54.8	Low	52.3	Low	179 Å²	179	138.1 Å²	138.1	83%	0.829	75%	0.747	S	S	*	*			trans	-70.7	73	164.1	-83.2	-64.8	0	0	0	109.6	H128 A132	H128-H130 PolarHBondContact O-N 2.95Å; H130-A132 PolarHBondContact O-N 3.34Å
131	D	55.7	Low	51.3	Low	117 Å²	117	136.6 Å²	136.6	63%	0.626	75%	0.748	S	S	*	*			trans	-63.1	107.5	168.3	-107.8	-14	0	0	0	108.8	D129 R133	D129-D131 PolarHBondContact O-N 3.36Å; D131-R133 PolarHBondContact O-N 2.76Å
132	A	50.1	Low	51	Low	101 Å²	101	137.9 Å²	137.9	84%	0.835	74%	0.744	S	S	*	*			trans	-59.3	78.1	171.1	0	0	0	0	0	110.1	H130 N134	H130-A132 PolarHBondContact O-N 3.34Å; A132-N134 VanDerWaalsContact C-N 3.25Å; A132-N134 PolarHBondContact O-N 3.04Å
133	R	46.7	Very low	50.9	Low	218 Å²	218	138.4 Å²	138.4	82%	0.823	75%	0.746	S	S	*	*			trans	-72.9	87.8	173.6	-72.3	-174.7	176.6	150	4.6	109.2	D131	D131-R133 PolarHBondContact O-N 2.76Å
134	N	45.6	Very low	50.4	Low	131 Å²	131	139.5 Å²	139.5	70%	0.701	75%	0.746	S	S	*	*			trans	42.6	96.6	132	-166	26.9	0	0	0	114.1	A132 T136	A132-N134 VanDerWaalsContact C-N 3.25Å; A132-N134 PolarHBondContact O-N 3.04Å; N134-T136 VanDerWaalsContact C-N 3.35Å; N134-T136 PolarHBondContact O-N 2.87Å
135	S	41.6	Very low	50.4	Low	118 Å²	118	141.8 Å²	141.8	83%	0.825	75%	0.753	S	S	*	*			trans	-51	101.3	161.9	-66.5	0	0	0	0	108.9	S137	S135-S137 VanDerWaalsContact C-N 3.3Å; S135-S137 PolarHBondContact O-N 3.25Å
136	T	43	Very low	50.7	Low	116 Å²	116	143.7 Å²	143.7	71%	0.712	75%	0.754	S	S	*	*			trans	-63.5	94.8	170.6	33.2	0	0	0	0	107.5	N134 V138	N134-T136 VanDerWaalsContact C-N 3.35Å; N134-T136 PolarHBondContact O-N 2.87Å; T136-V138 VanDerWaalsContact C-N 3.27Å; T136-V138 PolarHBondContact O-N 3.36Å
137	S	44.5	Very low	50.9	Low	100 Å²	100	143.7 Å²	143.7	70%	0.699	75%	0.753	S	S	*	*			trans	-65.2	95	165.4	67.2	0	0	0	0	106.8	S135 V139	S135-S137 VanDerWaalsContact C-N 3.3Å; S135-S137 PolarHBondContact O-N 3.25Å; S137-V139 PolarHBondContact O-N 3.11Å
138	V	47.3	Very low	51.8	Low	106 Å²	106	143.1 Å²	143.1	64%	0.642	75%	0.748	S	S	*	*			trans	-68.3	85.7	168.7	-174.2	0	0	0	0	106.8	T136 K140	T136-V138 VanDerWaalsContact C-N 3.27Å; T136-V138 PolarHBondContact O-N 3.36Å; V138-K140 HydrophobicContact CG1-CD 4.48Å; V138-K140 HydrophobicContact CG1-CG 3.63Å; V138-K140 PolarHBondContact O-N 3.41Å
139	V	42.1	Very low	52.4	Low	128 Å²	128	141.7 Å²	141.7	78%	0.776	75%	0.752	S	S	*	*			trans	-72.2	88.4	165	-178.3	0	0	0	0	106	S137 S141	S137-V139 PolarHBondContact O-N 3.11Å; V139-S141 PolarHBondContact O-N 3.28Å
140	K	47.7	Very low	53.4	Low	154 Å²	154	144.1 Å²	144.1	67%	0.67	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-66.5	118.1	168.5	-62.8	-173.7	179.6	177.8	0	107	V138 Y142	V138-K140 HydrophobicContact CG1-CD 4.48Å; V138-K140 HydrophobicContact CG1-CG 3.63Å; V138-K140 PolarHBondContact O-N 3.41Å; K140-Y142 WeakPolarHBondContact O-CD2 3.21Å; K140-Y142 PolarHBondContact O-N 3.42Å
141	S	37	Very low	54.7	Low	115 Å²	115	144.2 Å²	144.2	80%	0.804	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-65.5	124.3	169.8	66.1	0	0	0	0	108.6	V139	V139-S141 PolarHBondContact O-N 3.28Å
142	Y	47.1	Very low	55.9	Low	164 Å²	164	145.7 Å²	145.7	64%	0.643	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-82.7	116.6	178.1	-66.5	-88.6	0	0	0	109.6	K140 Q144	K140-Y142 WeakPolarHBondContact O-CD2 3.21Å; K140-Y142 PolarHBondContact O-N 3.42Å; Y142-Q144 PolarHBondContact O-N 3.11Å
143	D	55.3	Low	57.4	Low	155 Å²	155	147.4 Å²	147.4	83%	0.829	76%	0.755	S	S	*	*			trans	-64.4	115.7	150.7	-80.5	-34.8	0	0	0	106.4	E145	D143-E145 PolarHBondContact O-N 3.07Å
144	Q	45.7	Very low	59.1	Low	188 Å²	188	144.6 Å²	144.6	88%	0.879	75%	0.749	S	S	*	*			trans	-64.4	99.7	175.2	-72.5	-176.8	-25.3	0	0	108.5	Y142 K146	Y142-Q144 PolarHBondContact O-N 3.11Å; Q144-K146 PolarHBondContact O-N 2.91Å; Q144-K146 VanDerWaalsContact O-N 3.07Å
145	E	57.4	Low	60.9	Low	180 Å²	180	147.1 Å²	147.1	84%	0.841	76%	0.762	S	S	*	*			trans	-57.9	116.7	167.2	-81.3	-169.3	168.2	0	0	108.4	D143 I147	D143-E145 PolarHBondContact O-N 3.07Å; E145-I147 PolarHBondContact O-N 3.16Å
146	K	63.8	Low	62.8	Low	187 Å²	187	143.9 Å²	143.9	81%	0.813	75%	0.747	S	S	*	*			trans	-61.6	104.5	178.4	-174.7	179.4	-176.7	-176.6	0	109.1	Q144 I148	Q144-K146 PolarHBondContact O-N 2.91Å; Q144-K146 VanDerWaalsContact O-N 3.07Å; K146-I148 PolarHBondContact O-N 2.96Å; K146-I148 VanDerWaalsContact O-N 3.16Å
147	I	66.8	Low	64.6	Low	119 Å²	119	144.6 Å²	144.6	61%	0.61	74%	0.742	S	S	*	*			trans	-62.2	117.6	175.8	-57.3	174.6	0	0	0	108.6	E145 P149	E145-I147 PolarHBondContact O-N 3.16Å; I147-P149 WeakPolarHBondContact O-CD 3.41Å
148	I	77.7	Confident	66.4	Low	140 Å²	140	142.4 Å²	142.4	72%	0.718	73%	0.726	S	S	*	*			trans	-95	109.6	174.4	-57.7	175.6	0	0	0	107.8	K146 K150	K146-I148 PolarHBondContact O-N 2.96Å; K146-I148 VanDerWaalsContact O-N 3.16Å; I148-K150 PolarHBondContact O-N 3.44Å
149	P	71.4	Confident	67.9	Low	117 Å²	117	144.1 Å²	144.1	76%	0.76	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-64.8	130.6	179.1	26.1	-33	0	0	0	110.2	I147	I147-P149 WeakPolarHBondContact O-CD 3.41Å
150	K	81.1	Confident	69.8	Low	194 Å²	194	145.1 Å²	145.1	84%	0.843	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-91.5	128.2	173.5	-68.9	-178.8	-179	174.3	0	109.5	I148 I152	I148-K150 PolarHBondContact O-N 3.44Å; K150-I152 PolarHBondContact O-N 3.36Å
151	K	81.4	Confident	71.6	Confident	181 Å²	181	141.7 Å²	141.7	79%	0.787	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-76	119.7	170.2	-171.5	177.1	-179.8	-176.6	0	108.8
152	I	80.8	Confident	73.7	Confident	147 Å²	147	139.5 Å²	139.5	75%	0.754	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-94	135.4	169.3	53.3	163.8	0	0	0	109.6	K150	K150-I152 PolarHBondContact O-N 3.36Å
153	N	82	Confident	75.4	Confident	137 Å²	137	135.4 Å²	135.4	73%	0.733	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-76.8	134.5	176.1	-65.4	-18.6	0	0	0	109.2
154	K	82	Confident	76.7	Confident	160 Å²	160	133 Å²	133	70%	0.696	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-78.9	129.6	176.6	-68	-176.7	-179.6	-177.8	0	109.4	G156 E157	K154-G156 PolarHBondContact O-N 3.33Å; K154-E157 HydrophobicContact CB-CB 4.2Å; K154-E157 WeakPolarHBondContact O-CB 3.27Å; K154-E157 PolarHBondContact O-N 3.33Å
155	L	82.3	Confident	78.6	Confident	184 Å²	184	132.8 Å²	132.8	96%	0.963	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	128.4	168.2	-76	155.7	0	0	0	108.5
156	G	82.9	Confident	79.6	Confident	49 Å²	49	131.1 Å²	131.1	51%	0.505	66%	0.664	S	S	.	*	T	Hydrogen-bonded Turn	trans	88.8	6.8	179.3	0	0	0	0	0	116.1	K154 S158 T161	K154-G156 PolarHBondContact O-N 3.33Å; G156-S158 PolarHBondContact O-N 3.46Å; G156-T161 VanDerWaalsContact CA-OG1 3.27Å; G156-T161 WeakPolarHBondContact CA-OG1 3.42Å
157	E	81	Confident	80.3	Confident	131 Å²	131	127.3 Å²	127.3	61%	0.612	65%	0.645	S	S	*	*			trans	-70.1	-28.3	-174.4	-169.8	170.4	-174.4	0	0	114	K154	K154-E157 HydrophobicContact CB-CB 4.2Å; K154-E157 WeakPolarHBondContact O-CB 3.27Å; K154-E157 PolarHBondContact O-N 3.33Å
158	S	81	Confident	80.3	Confident	54 Å²	54	129.3 Å²	129.3	38%	0.378	65%	0.651	S	S	.	*	S	Bend	trans	-91.1	137.3	176.9	172.9	0	0	0	0	111.1	G156 E160 T161	G156-S158 PolarHBondContact O-N 3.46Å; S158-E160 PolarHBondContact O-N 3.04Å; S158-E160 WeakPolarHBondContact OG-CB 3.42Å; S158-E160 PolarHBondContact OG-N 3.4Å; S158-E160 VanDerWaalsContact OG-N 3.08Å; S158-T161 WeakPolarHBondContact O-CB 3.38Å; S158-T161 PolarHBondContact O-N 3.18Å; S158-T161 PolarHBondContact O-OG1 2.92Å
159	E	78.7	Confident	79.6	Confident	143 Å²	143	128.2 Å²	128.2	67%	0.668	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-54.8	-21.7	169.2	-71.2	-172	174.8	0	0	112.2	T161 I162 R167	E159-T161 PolarHBondContact O-N 2.6Å; E159-I162 WeakPolarHBondContact O-CB 3.35Å; E159-I162 PolarHBondContact O-N 3.38Å; E159-R167 PolarHBondContact O-NE 2.87Å
160	E	82.8	Confident	78.8	Confident	148 Å²	148	129.5 Å²	129.5	69%	0.692	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-68.4	-25.5	177.2	-62	-177.6	165.8	0	0	113.3	S158 I162 R167	S158-E160 PolarHBondContact O-N 3.04Å; S158-E160 WeakPolarHBondContact OG-CB 3.42Å; S158-E160 PolarHBondContact OG-N 3.4Å; S158-E160 VanDerWaalsContact OG-N 3.08Å; E160-I162 PolarHBondContact O-N 3Å; E160-R167 PolarHBondContact O-NH2 3.18Å
161	T	84.9	Confident	77.6	Confident	83 Å²	83	128.4 Å²	128.4	51%	0.509	65%	0.647	S	S	.	*	G	3₁₀ helix	trans	-73.3	-15.5	175.8	66.8	0	0	0	0	112.6	G156 S158 E159	G156-T161 VanDerWaalsContact CA-OG1 3.27Å; G156-T161 WeakPolarHBondContact CA-OG1 3.42Å; S158-T161 WeakPolarHBondContact O-CB 3.38Å; S158-T161 PolarHBondContact O-N 3.18Å; S158-T161 PolarHBondContact O-OG1 2.92Å; E159-T161 PolarHBondContact O-N 2.6Å
162	I	82.1	Confident	76	Confident	69 Å²	69	126.7 Å²	126.7	35%	0.354	65%	0.652	S	S	.	*	S	Bend	trans	-81.2	126.7	175.4	-56.3	174.3	0	0	0	108.3	E159 E160 R167	E159-I162 WeakPolarHBondContact O-CB 3.35Å; E159-I162 PolarHBondContact O-N 3.38Å; E160-I162 PolarHBondContact O-N 3Å; I162-R167 HydrophobicContact CB-CG 4.14Å; I162-R167 HydrophobicContact CG2-CG 4.1Å; I162-R167 PolarHBondContact O-NE 2.88Å
163	P	83.3	Confident	74.4	Confident	77 Å²	77	122.5 Å²	122.5	50%	0.5	65%	0.645	S	S	.	*			trans	-55.4	139.5	177.6	-24.6	32.3	0	0	0	111.5	K165 Y166 R167	P163-K165 PolarHBondContact O-N 2.87Å; P163-Y166 HydrophobicContact CB-CD2 4.04Å; P163-Y166 HydrophobicContact CG-CD2 4.27Å; P163-Y166 PolarHBondContact O-N 3.3Å; P163-R167 PolarHBondContact O-N 3.35Å
164	P	82.3	Confident	72.5	Confident	106 Å²	106	126.7 Å²	126.7	69%	0.688	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-52.2	-33.1	-172.2	-30.2	35.2	0	0	0	115.1	Y166 R167	P164-Y166 PolarHBondContact O-N 2.98Å; P164-R167 PolarHBondContact O-N 3.43Å
165	K	84	Confident	71	Confident	182 Å²	182	126.7 Å²	126.7	79%	0.791	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-61.2	-24.5	177.9	-169.2	-180	178.9	-174	0	113.6	P163	P163-K165 PolarHBondContact O-N 2.87Å
166	Y	78.5	Confident	69.4	Low	146 Å²	146	127.6 Å²	127.6	57%	0.573	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-111.7	0.2	-176.6	-56.5	-67.8	0	0	0	113.6	P163 P164 H168	P163-Y166 HydrophobicContact CB-CD2 4.04Å; P163-Y166 HydrophobicContact CG-CD2 4.27Å; P163-Y166 PolarHBondContact O-N 3.3Å; P164-Y166 PolarHBondContact O-N 2.98Å; Y166-H168 PolarHBondContact O-N 3.19Å
167	R	78.5	Confident	68.2	Low	107 Å²	107	133 Å²	133	40%	0.404	67%	0.671	S	S	.	*			trans	-69	107.4	173.9	-67.2	-172.6	-169.9	179.4	7.6	108.5	E159 E160 I162 P163 P164 T169	E159-R167 PolarHBondContact O-NE 2.87Å; E160-R167 PolarHBondContact O-NH2 3.18Å; I162-R167 HydrophobicContact CB-CG 4.14Å; I162-R167 HydrophobicContact CG2-CG 4.1Å; I162-R167 PolarHBondContact O-NE 2.88Å; P163-R167 PolarHBondContact O-N 3.35Å; P164-R167 PolarHBondContact O-N 3.43Å; R167-T169 PolarHBondContact O-N 3.21Å
168	H	68	Low	66.8	Low	161 Å²	161	129.9 Å²	129.9	75%	0.745	67%	0.674	S	S	*	*			trans	-71.3	112.3	173.1	-62.9	-50.9	0	0	0	108.6	Y166 N170	Y166-H168 PolarHBondContact O-N 3.19Å; H168-N170 VanDerWaalsContact C-N 3.31Å; H168-N170 PolarHBondContact O-N 2.81Å
169	T	62.8	Low	65.6	Low	116 Å²	116	139 Å²	139	71%	0.712	70%	0.7	S	S	*	*			trans	-67.7	94.2	171.3	55.8	0	0	0	0	108.3	R167 K171	R167-T169 PolarHBondContact O-N 3.21Å; T169-K171 PolarHBondContact O-N 2.82Å
170	N	54.3	Low	64.6	Low	144 Å²	144	141.5 Å²	141.5	77%	0.77	71%	0.709	S	S	*	*			trans	-73.5	55.2	164.4	-70.6	-15.2	0	0	0	109.4	H168 T172	H168-N170 VanDerWaalsContact C-N 3.31Å; H168-N170 PolarHBondContact O-N 2.81Å; N170-T172 VanDerWaalsContact C-N 3.3Å; N170-T172 PolarHBondContact O-N 2.87Å
171	K	55.1	Low	63.1	Low	172 Å²	172	144.5 Å²	144.5	75%	0.748	72%	0.719	S	S	*	*			trans	-73.7	90.8	163.6	-82.9	-177.5	177.2	177.2	0	106.9	T169 G173	T169-K171 PolarHBondContact O-N 2.82Å; K171-G173 PolarHBondContact O-N 3.08Å
172	T	49.5	Very low	61.9	Low	145 Å²	145	149.7 Å²	149.7	89%	0.89	74%	0.735	S	S	*	*	S	Bend	trans	39.2	71.7	145.6	57.2	0	0	0	0	114.8	N170	N170-T172 VanDerWaalsContact C-N 3.3Å; N170-T172 PolarHBondContact O-N 2.87Å
173	G	45.6	Very low	60.5	Low	59 Å²	59	159.7 Å²	159.7	61%	0.608	78%	0.776	S	S	*	*			trans	-132.2	-12.8	-176	0	0	0	0	0	116.6	K171 N175	K171-G173 PolarHBondContact O-N 3.08Å; G173-N175 PolarHBondContact O-N 3.17Å; G173-N175 VanDerWaalsContact O-N 3.17Å
174	Y	43.3	Very low	59.4	Low	224 Å²	224	163.8 Å²	163.8	88%	0.878	79%	0.79	S	S	*	*			trans	-91.9	71.5	-179	-75.2	-83.2	0	0	0	111.4
175	N	49.6	Very low	58.2	Low	161 Å²	161	166.8 Å²	166.8	86%	0.861	80%	0.795	S	S	*	*			trans	-155.9	60.3	159.2	-104.9	-9.7	0	0	0	110.2	G173	G173-N175 PolarHBondContact O-N 3.17Å; G173-N175 VanDerWaalsContact O-N 3.17Å
176	K	49.9	Very low	56.8	Low	203 Å²	203	166 Å²	166	88%	0.883	80%	0.795	S	S	*	*			trans	-133	56.2	164.6	-78.8	-174.3	-178.4	175.7	0	110.1	G178	K176-G178 PolarHBondContact O-N 3.03Å
177	I	56.6	Low	55.5	Low	163 Å²	163	167.2 Å²	167.2	84%	0.836	81%	0.809	S	S	*	*			trans	-78.6	99.8	157.2	-73.8	163.3	0	0	0	105.9	R179	I177-R179 PolarHBondContact O-N 3.2Å; I177-R179 VanDerWaalsContact O-N 3.08Å
178	G	52.5	Low	54.1	Low	64 Å²	64	170.9 Å²	170.9	66%	0.66	83%	0.834	S	S	*	*			trans	-55.9	112.4	176.2	0	0	0	0	0	110.2	K176 K180	K176-G178 PolarHBondContact O-N 3.03Å; G178-K180 PolarHBondContact O-N 3.23Å
179	R	55.3	Low	53.1	Low	246 Å²	246	171.6 Å²	171.6	93%	0.928	84%	0.84	S	S	*	*			trans	-62.7	92.4	157.7	-71.7	-170.7	-171.5	-172.7	3.5	107.1	I177 K181	I177-R179 PolarHBondContact O-N 3.2Å; I177-R179 VanDerWaalsContact O-N 3.08Å; R179-K181 PolarHBondContact O-N 3.08Å
180	K	57.2	Low	52.4	Low	196 Å²	196	175.6 Å²	175.6	85%	0.852	85%	0.849	S	S	*	*			trans	-60.9	115	160.4	-71.3	-163.7	175.5	-174.7	0	106.8	G178 K182	G178-K180 PolarHBondContact O-N 3.23Å; K180-K182 PolarHBondContact O-N 3.18Å
181	K	50.9	Low	52.3	Low	211 Å²	211	178 Å²	178	92%	0.917	86%	0.855	S	S	*	*			trans	-52.9	125.2	166.4	-79	179.1	173.5	-179.7	0	108	R179	R179-K181 PolarHBondContact O-N 3.08Å
182	K	61.7	Low	52.1	Low	191 Å²	191	178.5 Å²	178.5	83%	0.83	86%	0.864	S	S	*	*			trans	-89.9	124	160.2	-75.7	-170.1	177.2	-174.3	0	106.7	K180	K180-K182 PolarHBondContact O-N 3.18Å
183	F	52.7	Low	52.3	Low	279 Å²	279	181.5 Å²	181.5	100%	1.224	86%	0.862	S	S	*	*			trans	40.5	0	160.2	-64.3	-84	0	0	0	118.9

Retrieved 183 of 183 residues in 82.3 ms (Link to these results)

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