A0A5K4F2Q0_SCHMA Loading...

SWIM-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2Q0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 120 aa.

						>A0A5K4F2Q0_SCHMA|A0A5K4F2Q0
MNPIYGIGGKTLPPKCILFMDPKYIPPIHSLSKIDNANLPSSTALDYCYEALLFMTQAYETVVRVTLFKDSKTENGEFMCNCDPYLNLPCHFGITELTSMGDFVKQHIWSSICKQFSADE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.5	Very low	26.3	Very low	239 Å²	239	133.6 Å²	133.6	100%	1.177	77%	0.769	S	S	*	*				0	108.8	0	-152.3	174.4	-178.2	0	0	106.4
2	N	20.9	Very low	26.6	Very low	155 Å²	155	134.6 Å²	134.6	83%	0.829	77%	0.769	S	S	*	*			trans	-86.5	135.4	-174.7	-73.9	-12.5	0	0	0	110
3	P	23	Very low	27	Very low	82 Å²	82	131.8 Å²	131.8	53%	0.532	76%	0.759	S	S	.	*			trans	-71	136.2	-174.7	-14.1	28.5	0	0	0	112.5	Y5	P3-Y5 HydrophobicContact CB-CD2 4.2Å; P3-Y5 HydrophobicContact CB-CE1 4.45Å; P3-Y5 HydrophobicContact CB-CE2 3.68Å; P3-Y5 HydrophobicContact CG-CE2 3.9Å; P3-Y5 WeakPolarHBondContact O-CD2 3.29Å; P3-Y5 PolarHBondContact O-N 3.4Å
4	I	27.1	Very low	27.2	Very low	175 Å²	175	130.9 Å²	130.9	90%	0.897	76%	0.759	S	S	*	*			trans	-74.2	98.5	168.3	-60.4	170.2	0	0	0	106.8
5	Y	26.4	Very low	27.4	Very low	168 Å²	168	133 Å²	133	66%	0.659	76%	0.756	S	S	*	*			trans	-85.5	111.8	171.7	-63	-86	0	0	0	108.5	P3 I7	P3-Y5 HydrophobicContact CB-CD2 4.2Å; P3-Y5 HydrophobicContact CB-CE1 4.45Å; P3-Y5 HydrophobicContact CB-CE2 3.68Å; P3-Y5 HydrophobicContact CG-CE2 3.9Å; P3-Y5 WeakPolarHBondContact O-CD2 3.29Å; P3-Y5 PolarHBondContact O-N 3.4Å; Y5-I7 PolarHBondContact O-N 2.8Å
6	G	29.7	Very low	27.4	Very low	63 Å²	63	127.7 Å²	127.7	65%	0.649	73%	0.729	S	S	*	*	S	Bend	trans	-57.5	126.9	140.7	0	0	0	0	0	105	G8	G6-G8 PolarHBondContact O-N 2.89Å
7	I	26.1	Very low	27.4	Very low	137 Å²	137	126.6 Å²	126.6	70%	0.703	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-48	111.2	-164.7	-64.5	-179.6	0	0	0	110.4	Y5	Y5-I7 PolarHBondContact O-N 2.8Å
8	G	29.1	Very low	27.8	Very low	50 Å²	50	123.2 Å²	123.2	52%	0.515	70%	0.698	S	S	.	*	G	3₁₀ helix	trans	88.2	3.2	158.5	0	0	0	0	0	119.5	G6 K10	G6-G8 PolarHBondContact O-N 2.89Å; G8-K10 WeakPolarHBondContact O-CG 2.79Å; G8-K10 PolarHBondContact O-N 3.17Å; G8-K10 VanDerWaalsContact O-N 3.09Å
9	G	27.3	Very low	28.1	Very low	84 Å²	84	122.5 Å²	122.5	87%	0.866	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	58.5	24	-176	0	0	0	0	0	112.9
10	K	25.2	Very low	28.5	Very low	173 Å²	173	119.3 Å²	119.3	75%	0.752	67%	0.667	S	S	*	*			trans	-117.8	138.7	-177.5	-73.5	179.6	-176.8	-175.4	0	109	G8	G8-K10 WeakPolarHBondContact O-CG 2.79Å; G8-K10 PolarHBondContact O-N 3.17Å; G8-K10 VanDerWaalsContact O-N 3.09Å
11	T	29	Very low	28.8	Very low	144 Å²	144	117.5 Å²	117.5	88%	0.883	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-62.2	132.8	-177.2	-38.5	0	0	0	0	111.2
12	L	29.9	Very low	29.3	Very low	145 Å²	145	111 Å²	111	76%	0.759	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-72.6	134.1	-172.8	-79.8	166.1	0	0	0	112.4
13	P	32	Very low	30.1	Very low	99 Å²	99	109.8 Å²	109.8	64%	0.643	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-84.1	168.9	-178.5	-8.4	27.3	0	0	0	114.4	K15	P13-K15 WeakPolarHBondContact O-CA 3.46Å; P13-K15 PolarHBondContact O-N 2.66Å
14	P	29.6	Very low	30.7	Very low	118 Å²	118	111.1 Å²	111.1	77%	0.766	61%	0.614	S	S	*	*	S	Bend	trans	-75	114.5	-179.5	31.1	-30.3	0	0	0	109.8
15	K	30.1	Very low	31	Very low	163 Å²	163	105.7 Å²	105.7	71%	0.709	59%	0.586	S	S	*	*	S	Bend	cis	-156.9	128	4.5	-61.3	170.4	179.7	166.4	0	104.3	P13	P13-K15 WeakPolarHBondContact O-CA 3.46Å; P13-K15 PolarHBondContact O-N 2.66Å
16	C	26.8	Very low	31.3	Very low	48 Å²	48	101.1 Å²	101.1	32%	0.324	58%	0.577	S	S	.	*			trans	85.9	115.4	166.4	-33.9	0	0	0	0	116.6	C48 Y49	C16-C48 PolarHBondContact SG-O 3.1Å; C16-Y49 HydrophobicContact CB-CD1 3.53Å; C16-Y49 HydrophobicContact CB-CE1 3.8Å; C16-Y49 HydrophobicContact CB-CG 4.34Å; C16-Y49 WeakPolarHBondContact SG-CD1 3.21Å; C16-Y49 WeakPolarHBondContact SG-CE1 2.99Å
17	I	27.5	Very low	31.3	Very low	110 Å²	110	102.5 Å²	102.5	56%	0.564	57%	0.574	S	S	*	*				-159	132.5	120.9	-49.8	-172	0	0	0	108.5	F19	I17-F19 HydrophobicContact CB-CD2 4.07Å; I17-F19 HydrophobicContact CB-CE2 3.69Å; I17-F19 HydrophobicContact CB-CZ 4.29Å; I17-F19 HydrophobicContact CD1-CE2 3.78Å; I17-F19 HydrophobicContact CD1-CZ 3.78Å; I17-F19 HydrophobicContact CG1-CE2 4.25Å; I17-F19 HydrophobicContact CG2-CD1 4.17Å; I17-F19 HydrophobicContact CG2-CD2 3.5Å; I17-F19 HydrophobicContact CG2-CE1 3.95Å; I17-F19 HydrophobicContact CG2-CE2 3.22Å; I17-F19 HydrophobicContact CG2-CG 3.99Å; I17-F19 HydrophobicContact CG2-CZ 3.49Å; I17-F19 VanDerWaalsContact CG2-CZ 3.49Å
18	L	34.5	Very low	31.4	Very low	65 Å²	65	101.8 Å²	101.8	34%	0.34	57%	0.571	S	S	.	*	B	Isolated β-bridge	trans	-107.6	118	165.7	-166	84.1	0	0	0	108.8	A51 L53 V104	L18-A51 HydrophobicContact CB-CB 4.13Å; L18-A51 HydrophobicContact CD2-CB 3.6Å; L18-A51 HydrophobicContact CG-CB 4.5Å; L18-L53 HydrophobicContact CD2-CD2 4.08Å; L18-V104 HydrophobicContact CD2-CG2 4.24Å
19	F	35	Very low	31.3	Very low	110 Å²	110	108.5 Å²	108.5	48%	0.482	59%	0.588	S	S	.	*			trans	-107	133.5	-178.6	-77.1	-72.2	0	0	0	111.7	I17 I25	I17-F19 HydrophobicContact CB-CD2 4.07Å; I17-F19 HydrophobicContact CB-CE2 3.69Å; I17-F19 HydrophobicContact CB-CZ 4.29Å; I17-F19 HydrophobicContact CD1-CE2 3.78Å; I17-F19 HydrophobicContact CD1-CZ 3.78Å; I17-F19 HydrophobicContact CG1-CE2 4.25Å; I17-F19 HydrophobicContact CG2-CD1 4.17Å; I17-F19 HydrophobicContact CG2-CD2 3.5Å; I17-F19 HydrophobicContact CG2-CE1 3.95Å; I17-F19 HydrophobicContact CG2-CE2 3.22Å; I17-F19 HydrophobicContact CG2-CG 3.99Å; I17-F19 HydrophobicContact CG2-CZ 3.49Å; I17-F19 VanDerWaalsContact CG2-CZ 3.49Å; F19-I25 HydrophobicContact CD1-CD1 3.44Å; F19-I25 VanDerWaalsContact CD1-CD1 3.44Å; F19-I25 HydrophobicContact CE1-CD1 3.82Å
20	M	35.4	Very low	31.4	Very low	57 Å²	57	107.8 Å²	107.8	28%	0.281	57%	0.57	S	S	.	*			trans	-117.2	146.8	165.7	-76	-153.1	49.2	0	0	109	L52 L53 F54	M20-L52 WeakPolarHBondContact CB-O 2.82Å; M20-L52 WeakPolarHBondContact CG-O 3.13Å; M20-L53 HydrophobicContact CG-CD2 4.43Å; M20-L53 WeakPolarHBondContact SD-CA 3.36Å; M20-L53 HydrophobicContact SD-CB 3.94Å; M20-L53 HydrophobicContact SD-CD2 3.5Å; M20-L53 WeakPolarHBondContact SD-CD2 3.45Å; M20-L53 HydrophobicContact SD-CG 4.19Å; M20-F54 HydrophobicContact CB-CD2 3.58Å; M20-F54 HydrophobicContact CB-CE2 4.27Å; M20-F54 HydrophobicContact CE-CB 3.88Å; M20-F54 VanDerWaalsContact CE-N 3.27Å; M20-F54 WeakPolarHBondContact CE-O 3.49Å; M20-F54 PolarHBondContact SD-N 3.31Å
21	D	35	Very low	31.5	Very low	83 Å²	83	103.9 Å²	103.9	44%	0.444	56%	0.557	S	S	.	*			trans	-13.5	116.4	-162.5	-169.8	-19.6	0	0	0	116	K23 Y24	D21-K23 PolarHBondContact O-N 2.91Å; D21-K23 PolarHBondContact OD1-N 2.96Å; D21-K23 WeakPolarHBondContact OD2-CE 3.13Å; D21-K23 IonicContact OD2-NZ 3.99Å; D21-Y24 HydrophobicContact CB-CD2 4.08Å; D21-Y24 HydrophobicContact CB-CE2 4.49Å; D21-Y24 PolarHBondContact O-N 3Å
22	P	35.2	Very low	31.6	Very low	102 Å²	102	101.8 Å²	101.8	66%	0.662	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-48	-29.6	-174.3	-29.8	34.1	0	0	0	117	Y24 I25	P22-Y24 PolarHBondContact O-N 2.84Å; P22-I25 HydrophobicContact CB-CD1 4.37Å; P22-I25 PolarHBondContact O-N 3.27Å
23	K	38.1	Very low	31.8	Very low	130 Å²	130	104.8 Å²	104.8	57%	0.565	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-66.6	-17.9	-178.9	69.5	177.1	151.8	146.2	0	114	D21	D21-K23 PolarHBondContact O-N 2.91Å; D21-K23 PolarHBondContact OD1-N 2.96Å; D21-K23 WeakPolarHBondContact OD2-CE 3.13Å; D21-K23 IonicContact OD2-NZ 3.99Å
24	Y	36.2	Very low	32.1	Very low	109 Å²	109	102.9 Å²	102.9	43%	0.427	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-104.9	5.6	-178.8	-58.3	-71.4	0	0	0	113.5	D21 P22 P26 F54	D21-Y24 HydrophobicContact CB-CD2 4.08Å; D21-Y24 HydrophobicContact CB-CE2 4.49Å; D21-Y24 PolarHBondContact O-N 3Å; P22-Y24 PolarHBondContact O-N 2.84Å; Y24-P26 WeakPolarHBondContact O-CD 3.42Å; Y24-F54 HydrophobicContact CD2-CD1 4.49Å; Y24-F54 HydrophobicContact CG-CD1 4.1Å; Y24-F54 HydrophobicContact CG-CE1 4.24Å; Y24-F54 WeakPolarHBondContact O-CZ 3.16Å
25	I	33.6	Very low	32.4	Very low	62 Å²	62	103.6 Å²	103.6	32%	0.318	54%	0.537	S	S	.	.			trans	-85.3	110.1	-179.3	-55.8	176.1	0	0	0	109.4	F19 P22	F19-I25 HydrophobicContact CD1-CD1 3.44Å; F19-I25 VanDerWaalsContact CD1-CD1 3.44Å; F19-I25 HydrophobicContact CE1-CD1 3.82Å; P22-I25 HydrophobicContact CB-CD1 4.37Å; P22-I25 PolarHBondContact O-N 3.27Å
26	P	32	Very low	32.7	Very low	72 Å²	72	100.8 Å²	100.8	47%	0.468	53%	0.529	S	S	.	.			trans	-67.4	145.7	167.5	26.6	-31.2	0	0	0	110.1	Y24 I28	Y24-P26 WeakPolarHBondContact O-CD 3.42Å; P26-I28 PolarHBondContact O-N 2.84Å
27	P	30.6	Very low	33.3	Very low	91 Å²	91	102.1 Å²	102.1	59%	0.591	54%	0.544	S	S	*	.			trans	-53.3	139.3	-178	-23.9	31.5	0	0	0	112.4	H29 S30	P27-H29 PolarHBondContact O-N 3.49Å; P27-S30 WeakPolarHBondContact O-CB 3.12Å; P27-S30 PolarHBondContact O-N 2.68Å; P27-S30 PolarHBondContact O-OG 3.05Å
28	I	27.3	Very low	34	Very low	122 Å²	122	104.3 Å²	104.3	63%	0.626	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-51.8	-31.1	-175.1	-66.4	169.9	0	0	0	113.3	P26 S30 L31	P26-I28 PolarHBondContact O-N 2.84Å; I28-S30 PolarHBondContact O-N 2.98Å; I28-S30 VanDerWaalsContact O-N 3.1Å; I28-L31 PolarHBondContact O-N 3.19Å
29	H	28	Very low	34.2	Very low	191 Å²	191	103.3 Å²	103.3	88%	0.884	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-65.8	-9.6	177.1	-53.3	-54.1	0	0	0	114.2	P27	P27-H29 PolarHBondContact O-N 3.49Å
30	S	27.5	Very low	34.4	Very low	70 Å²	70	101.6 Å²	101.6	49%	0.49	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-90.8	-6.2	179.4	-31	0	0	0	0	113.1	P27 I28 S32	P27-S30 WeakPolarHBondContact O-CB 3.12Å; P27-S30 PolarHBondContact O-N 2.68Å; P27-S30 PolarHBondContact O-OG 3.05Å; I28-S30 PolarHBondContact O-N 2.98Å; I28-S30 VanDerWaalsContact O-N 3.1Å; S30-S32 PolarHBondContact O-N 3.32Å
31	L	29.3	Very low	34.7	Very low	90 Å²	90	105.3 Å²	105.3	47%	0.471	58%	0.583	S	S	.	*			trans	-74.9	79.4	174.7	-65.3	171.3	0	0	0	108.5	I28 K33	I28-L31 PolarHBondContact O-N 3.19Å; L31-K33 PolarHBondContact O-N 3.12Å
32	S	31	Very low	34.8	Very low	101 Å²	101	105.3 Å²	105.3	71%	0.706	59%	0.589	S	S	*	*			trans	-51.1	128.7	168.5	32.2	0	0	0	0	109	S30 I34	S30-S32 PolarHBondContact O-N 3.32Å; S32-I34 PolarHBondContact O-N 3.46Å
33	K	32.5	Very low	35.3	Very low	207 Å²	207	102.5 Å²	102.5	90%	0.9	57%	0.57	S	S	*	*			trans	-37.3	108.9	173	-77.5	179.5	174.9	179.7	0	108.5	L31 D35	L31-K33 PolarHBondContact O-N 3.12Å; K33-D35 PolarHBondContact O-N 2.77Å
34	I	38.4	Very low	35.7	Very low	59 Å²	59	98.6 Å²	98.6	30%	0.303	56%	0.562	S	S	.	*			trans	-59.7	130.1	178.2	-54.5	174.4	0	0	0	106.4	S32 N36 Y47 R64	S32-I34 PolarHBondContact O-N 3.46Å; I34-N36 PolarHBondContact O-N 2.96Å; I34-Y47 HydrophobicContact CD1-CE2 4.4Å; I34-R64 VanDerWaalsContact CD1-CZ 3.45Å
35	D	36.9	Very low	36.2	Very low	133 Å²	133	94.8 Å²	94.8	71%	0.711	55%	0.549	S	S	*	.			trans	-64.6	101.4	179.6	-157.9	-8.5	0	0	0	108.5	K33 A37	K33-D35 PolarHBondContact O-N 2.77Å; D35-A37 PolarHBondContact O-N 2.77Å; D35-A37 WeakPolarHBondContact OD1-CB 3.49Å
36	N	36	Very low	37	Very low	105 Å²	105	96.6 Å²	96.6	56%	0.561	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-66.4	2.5	179.2	-73.9	-21.9	0	0	0	112.6	I34 N38 L39	I34-N36 PolarHBondContact O-N 2.96Å; N36-N38 PolarHBondContact O-N 2.8Å; N36-L39 HydrophobicContact CB-CD1 4.5Å; N36-L39 PolarHBondContact O-N 2.62Å
37	A	40.3	Very low	37.8	Very low	75 Å²	75	98.5 Å²	98.5	62%	0.62	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-55.1	-25.5	-175.6	0	0	0	0	0	114.5	D35	D35-A37 PolarHBondContact O-N 2.77Å; D35-A37 WeakPolarHBondContact OD1-CB 3.49Å
38	N	40.3	Very low	38.7	Very low	157 Å²	157	95.3 Å²	95.3	84%	0.84	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-94.2	-2.1	179.1	-68.4	-23.6	0	0	0	114.4	N36	N36-N38 PolarHBondContact O-N 2.8Å
39	L	39.5	Very low	39.9	Very low	43 Å²	43	92.7 Å²	92.7	23%	0.225	52%	0.52	C	S	.	.	S	Bend	trans	-89.6	134.1	175.4	-66.3	169.3	0	0	0	109.2	N36 S41 L45 F68	N36-L39 HydrophobicContact CB-CD1 4.5Å; N36-L39 PolarHBondContact O-N 2.62Å; L39-S41 PolarHBondContact O-N 3.05Å; L39-S41 VanDerWaalsContact O-N 3.12Å; L39-L45 HydrophobicContact CD1-CD1 4.39Å; L39-L45 HydrophobicContact CD2-CD1 3.98Å; L39-F68 HydrophobicContact CD1-CE1 4.01Å; L39-F68 HydrophobicContact CD1-CZ 4.09Å
40	P	38.8	Very low	40.7	Very low	75 Å²	75	85.4 Å²	85.4	49%	0.487	49%	0.487	S	S	.	.			trans	-57.2	122.2	-179.6	18.6	-27.5	0	0	0	110.3	S42 T43	P40-S42 PolarHBondContact O-N 3.24Å; P40-T43 PolarHBondContact O-N 3.03Å; P40-T43 PolarHBondContact O-OG1 3.35Å; P40-T43 VanDerWaalsContact O-OG1 3.09Å
41	S	41.4	Very low	41.8	Very low	135 Å²	135	82.5 Å²	82.5	94%	0.944	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-5.6	-168.9	65.7	0	0	0	0	117.3	L39	L39-S41 PolarHBondContact O-N 3.05Å; L39-S41 VanDerWaalsContact O-N 3.12Å
42	S	38.8	Very low	42.6	Very low	82 Å²	82	80.4 Å²	80.4	57%	0.573	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-6.1	-175.1	66.5	0	0	0	0	114.8	P40 K72	P40-S42 PolarHBondContact O-N 3.24Å; S42-K72 PolarHBondContact O-NZ 3.28Å
43	T	44.5	Very low	43.6	Very low	43 Å²	43	76.3 Å²	76.3	26%	0.264	43%	0.426	S	S	.	.			trans	-88.7	116.7	173.5	41.2	0	0	0	0	109.4	P40 L45	P40-T43 PolarHBondContact O-N 3.03Å; P40-T43 PolarHBondContact O-OG1 3.35Å; P40-T43 VanDerWaalsContact O-OG1 3.09Å; T43-L45 PolarHBondContact O-N 3.26Å
44	A	47.8	Very low	44	Very low	48 Å²	48	68 Å²	68	40%	0.397	39%	0.39	S	S	.	.			trans	-74	77.5	167.6	0	0	0	0	0	107.2	D46 S71	A44-D46 PolarHBondContact O-N 3.48Å; A44-S71 PolarHBondContact O-N 2.77Å; A44-S71 PolarHBondContact O-OG 3.2Å
45	L	45.7	Very low	44	Very low	30 Å²	30	66.5 Å²	66.5	16%	0.157	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	111.8	177.9	-67.1	-178.2	0	0	0	107.9	L39 T43 Y47 F68 D70 M79	L39-L45 HydrophobicContact CD1-CD1 4.39Å; L39-L45 HydrophobicContact CD2-CD1 3.98Å; T43-L45 PolarHBondContact O-N 3.26Å; L45-Y47 PolarHBondContact O-N 2.85Å; L45-F68 HydrophobicContact CB-CB 4.07Å; L45-F68 HydrophobicContact CB-CD1 4.11Å; L45-F68 HydrophobicContact CB-CG 4.4Å; L45-F68 HydrophobicContact CD1-CB 4.22Å; L45-F68 HydrophobicContact CD1-CG 4.34Å; L45-F68 HydrophobicContact CD2-CB 4.36Å; L45-F68 HydrophobicContact CG-CB 4.43Å; L45-D70 HydrophobicContact CD2-CB 4.01Å; L45-M79 HydrophobicContact CD1-CE 4.5Å; L45-M79 HydrophobicContact CD1-SD 3.83Å; L45-M79 HydrophobicContact CD2-CG 4.5Å; L45-M79 HydrophobicContact CD2-SD 3.68Å; L45-M79 HydrophobicContact CG-SD 4.39Å
46	D	49.8	Very low	43.9	Very low	99 Å²	99	65.2 Å²	65.2	53%	0.529	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	122.2	169.5	-72.3	-37.5	0	0	0	107.7	A44 C48 K69	A44-D46 PolarHBondContact O-N 3.48Å; D46-C48 PolarHBondContact O-N 3.46Å; D46-K69 PolarHBondContact N-O 2.79Å; D46-K69 PolarHBondContact O-N 2.81Å
47	Y	49.8	Very low	43.8	Very low	113 Å²	113	69.2 Å²	69.2	44%	0.443	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	116.4	173.3	-170.7	-83.5	0	0	0	108.8	I34 L45 E50 T66 F68	I34-Y47 HydrophobicContact CD1-CE2 4.4Å; L45-Y47 PolarHBondContact O-N 2.85Å; Y47-E50 WeakPolarHBondContact OH-CB 3.44Å; Y47-E50 VanDerWaalsContact OH-CD 3.28Å; Y47-E50 WeakPolarHBondContact OH-CG 3.49Å; Y47-E50 PolarHBondContact OH-OE2 3.37Å; Y47-T66 HydrophobicContact CD2-CG2 4.12Å; Y47-T66 HydrophobicContact CE2-CG2 3.36Å; Y47-F68 HydrophobicContact CD2-CD1 4.37Å; Y47-F68 AromaticContact CD2-CE1 3.78Å; Y47-F68 HydrophobicContact CD2-CE1 3.78Å; Y47-F68 HydrophobicContact CD2-CZ 4.34Å; Y47-F68 HydrophobicContact CE2-CE1 4.4Å
48	C	49	Very low	43.5	Very low	24 Å²	24	69.1 Å²	69.1	16%	0.162	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-61.8	-172.1	-143.8	0	0	0	0	110.5	C16 D46 L67 K69 F78	C16-C48 PolarHBondContact SG-O 3.1Å; D46-C48 PolarHBondContact O-N 3.46Å; C48-L67 CarbonylContact C-O 3.54Å; C48-L67 WeakPolarHBondContact CA-O 3.23Å; C48-L67 WeakPolarHBondContact CB-O 3.46Å; C48-L67 PolarHBondContact N-O 2.85Å; C48-L67 VanDerWaalsContact N-O 3.11Å; C48-K69 HydrophobicContact CB-CB 3.98Å; C48-F78 HydrophobicContact CB-CE1 4.32Å
49	Y	52.5	Low	43.5	Very low	66 Å²	66	67.3 Å²	67.3	26%	0.259	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141	-175	-56.8	-98.4	0	0	0	112.7	C16 T66 L67 F78 M100	C16-Y49 HydrophobicContact CB-CD1 3.53Å; C16-Y49 HydrophobicContact CB-CE1 3.8Å; C16-Y49 HydrophobicContact CB-CG 4.34Å; C16-Y49 WeakPolarHBondContact SG-CD1 3.21Å; C16-Y49 WeakPolarHBondContact SG-CE1 2.99Å; Y49-T66 CarbonylContact O-C 3.53Å; Y49-T66 WeakPolarHBondContact O-CA 3.19Å; Y49-L67 HydrophobicContact CD2-CB 4.26Å; Y49-L67 PolarHBondContact N-O 3Å; Y49-L67 PolarHBondContact O-N 3.47Å; Y49-F78 HydrophobicContact CE2-CE1 4.05Å; Y49-M100 HydrophobicContact CD1-CE 3.84Å; Y49-M100 HydrophobicContact CD2-CE 4.08Å; Y49-M100 HydrophobicContact CE1-CE 4.13Å; Y49-M100 HydrophobicContact CE2-CE 4.36Å; Y49-M100 HydrophobicContact CG-CE 3.87Å
50	E	46	Very low	43.8	Very low	39 Å²	39	74.7 Å²	74.7	18%	0.182	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.5	158.1	-138.4	174.7	124.6	0	0	109.7	Y47 R64	Y47-E50 WeakPolarHBondContact OH-CB 3.44Å; Y47-E50 VanDerWaalsContact OH-CD 3.28Å; Y47-E50 WeakPolarHBondContact OH-CG 3.49Å; Y47-E50 PolarHBondContact OH-OE2 3.37Å; E50-R64 VanDerWaalsContact CD-NE 3.34Å; E50-R64 IonicContact OE1-CZ 3.21Å; E50-R64 IonicContact OE1-NE 2.74Å; E50-R64 PolarHBondContact OE1-NE 2.92Å; E50-R64 IonicContact OE1-NH2 2.93Å; E50-R64 PolarHBondContact OE1-NH2 2.74Å; E50-R64 IonicContact OE2-CZ 3.67Å; E50-R64 IonicContact OE2-NE 3.72Å; E50-R64 IonicContact OE2-NH2 2.78Å; E50-R64 PolarHBondContact OE2-NH2 2.89Å
51	A	49.1	Very low	44.2	Very low	9 Å²	9	73.7 Å²	73.7	7%	0.074	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.6	165.9	0	0	0	0	0	108.3	L18 V65	L18-A51 HydrophobicContact CB-CB 4.13Å; L18-A51 HydrophobicContact CD2-CB 3.6Å; L18-A51 HydrophobicContact CG-CB 4.5Å; A51-V65 HydrophobicContact CB-CB 4.45Å; A51-V65 PolarHBondContact N-O 3.24Å; A51-V65 PolarHBondContact O-N 2.84Å
52	L	47.7	Very low	44.6	Very low	45 Å²	45	70.3 Å²	70.3	24%	0.236	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	114.7	167.9	-73.9	161.5	0	0	0	107.3	M20 F54 V62 R64	M20-L52 WeakPolarHBondContact CB-O 2.82Å; M20-L52 WeakPolarHBondContact CG-O 3.13Å; L52-F54 HydrophobicContact CB-CE2 3.94Å; L52-V62 HydrophobicContact CD2-CG1 3.87Å; L52-R64 HydrophobicContact CD2-CB 4.07Å; L52-R64 HydrophobicContact CD2-CG 3.91Å
53	L	50.8	Low	45.4	Very low	16 Å²	16	66.6 Å²	66.6	8%	0.084	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	112.2	-179.8	-65.6	157.4	0	0	0	109.6	L18 M20 V63 V65 V104 I108	L18-L53 HydrophobicContact CD2-CD2 4.08Å; M20-L53 HydrophobicContact CG-CD2 4.43Å; M20-L53 WeakPolarHBondContact SD-CA 3.36Å; M20-L53 HydrophobicContact SD-CB 3.94Å; M20-L53 HydrophobicContact SD-CD2 3.5Å; M20-L53 WeakPolarHBondContact SD-CD2 3.45Å; M20-L53 HydrophobicContact SD-CG 4.19Å; L53-V63 HydrophobicContact CB-CB 4.44Å; L53-V63 PolarHBondContact N-O 2.66Å; L53-V63 PolarHBondContact O-N 2.93Å; L53-V65 HydrophobicContact CD1-CG2 4.21Å; L53-V104 HydrophobicContact CD2-CG1 4.15Å; L53-I108 HydrophobicContact CD1-CB 4.15Å; L53-I108 HydrophobicContact CD1-CD1 3.45Å; L53-I108 VanDerWaalsContact CD1-CD1 3.45Å; L53-I108 HydrophobicContact CD1-CG1 4.29Å; L53-I108 HydrophobicContact CD1-CG2 3.37Å
54	F	40.4	Very low	46.1	Very low	31 Å²	31	68.2 Å²	68.2	14%	0.136	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	107.2	175.2	-60.9	-99.5	0	0	0	109.2	M20 Y24 L52 V62	M20-F54 HydrophobicContact CB-CD2 3.58Å; M20-F54 HydrophobicContact CB-CE2 4.27Å; M20-F54 HydrophobicContact CE-CB 3.88Å; M20-F54 VanDerWaalsContact CE-N 3.27Å; M20-F54 WeakPolarHBondContact CE-O 3.49Å; M20-F54 PolarHBondContact SD-N 3.31Å; Y24-F54 HydrophobicContact CD2-CD1 4.49Å; Y24-F54 HydrophobicContact CG-CD1 4.1Å; Y24-F54 HydrophobicContact CG-CE1 4.24Å; Y24-F54 WeakPolarHBondContact O-CZ 3.16Å; L52-F54 HydrophobicContact CB-CE2 3.94Å; F54-V62 HydrophobicContact CD1-CB 4.41Å; F54-V62 HydrophobicContact CD1-CG1 4.24Å; F54-V62 HydrophobicContact CD1-CG2 3.59Å; F54-V62 HydrophobicContact CE1-CB 4.25Å; F54-V62 HydrophobicContact CE1-CG1 3.84Å; F54-V62 HydrophobicContact CE1-CG2 3.42Å; F54-V62 VanDerWaalsContact CE1-CG2 3.42Å; F54-V62 HydrophobicContact CZ-CG1 4.04Å; F54-V62 HydrophobicContact CZ-CG2 4.39Å
55	M	38.1	Very low	46.7	Very low	28 Å²	28	66 Å²	66	14%	0.138	33%	0.333	C	S	.	.			trans	-68.2	148.2	172.1	-66.4	-168.8	-66.2	0	0	109.9	T61 V63 I112 F116	M55-T61 HydrophobicContact CE-CG2 4.41Å; M55-T61 PolarHBondContact N-O 2.78Å; M55-V63 HydrophobicContact CE-CG2 3.9Å; M55-I112 HydrophobicContact CE-CG1 4.43Å; M55-I112 HydrophobicContact CE-CG2 4.41Å; M55-I112 HydrophobicContact CG-CD1 4.23Å; M55-I112 HydrophobicContact SD-CB 4.06Å; M55-I112 HydrophobicContact SD-CD1 3.49Å; M55-I112 WeakPolarHBondContact SD-CD1 3.48Å; M55-I112 HydrophobicContact SD-CG1 3.65Å; M55-I112 HydrophobicContact SD-CG2 3.23Å; M55-I112 WeakPolarHBondContact SD-CG2 3.28Å; M55-F116 HydrophobicContact CE-CE2 3.61Å; M55-F116 HydrophobicContact CE-CZ 3.8Å; M55-F116 HydrophobicContact SD-CE2 4.1Å
56	T	35.9	Very low	47.4	Very low	107 Å²	107	64.9 Å²	64.9	66%	0.656	33%	0.327	S	S	*	.			trans	-61.7	169.5	-165.4	56.3	0	0	0	0	112.5	A58 Y59	T56-A58 PolarHBondContact O-N 3.22Å; T56-Y59 PolarHBondContact O-N 3.33Å
57	Q	33.9	Very low	47.8	Very low	188 Å²	188	60.3 Å²	60.3	88%	0.879	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38	-19.2	-169.3	-71.8	-175.6	-19.8	0	0	119.3
58	A	34.6	Very low	48.3	Very low	74 Å²	74	55.4 Å²	55.4	61%	0.612	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-23.8	176.5	0	0	0	0	0	113.6	T56	T56-A58 PolarHBondContact O-N 3.22Å
59	Y	40.5	Very low	48.8	Very low	119 Å²	119	58.1 Å²	58.1	47%	0.467	29%	0.292	S	S	.	.			trans	-130.1	101.6	-170.5	-55.2	-73.9	0	0	0	109	T56 T61 F116	T56-Y59 PolarHBondContact O-N 3.33Å; Y59-T61 PolarHBondContact O-N 3.01Å; Y59-F116 HydrophobicContact CD1-CE1 4.2Å; Y59-F116 HydrophobicContact CE1-CD1 4.33Å; Y59-F116 HydrophobicContact CE1-CE1 4.32Å
60	E	44.5	Very low	49.2	Very low	197 Å²	197	55.9 Å²	55.9	92%	0.921	29%	0.285	S	S	*	.			trans	-65.7	21.6	175.3	-62.9	-173.8	155.4	0	0	113.4	V62	E60-V62 PolarHBondContact O-N 3.22Å
61	T	47	Very low	49.8	Very low	55 Å²	55	56.9 Å²	56.9	34%	0.337	30%	0.296	S	S	.	.			trans	-88.2	109.5	-176.8	-47.3	0	0	0	0	109.4	M55 Y59 V63	M55-T61 HydrophobicContact CE-CG2 4.41Å; M55-T61 PolarHBondContact N-O 2.78Å; Y59-T61 PolarHBondContact O-N 3.01Å; T61-V63 HydrophobicContact CG2-CG2 4.05Å
62	V	51.1	Low	50.2	Low	64 Å²	64	63 Å²	63	39%	0.388	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117.8	167.2	-173.8	0	0	0	0	107.6	L52 F54 E60	L52-V62 HydrophobicContact CD2-CG1 3.87Å; F54-V62 HydrophobicContact CD1-CB 4.41Å; F54-V62 HydrophobicContact CD1-CG1 4.24Å; F54-V62 HydrophobicContact CD1-CG2 3.59Å; F54-V62 HydrophobicContact CE1-CB 4.25Å; F54-V62 HydrophobicContact CE1-CG1 3.84Å; F54-V62 HydrophobicContact CE1-CG2 3.42Å; F54-V62 VanDerWaalsContact CE1-CG2 3.42Å; F54-V62 HydrophobicContact CZ-CG1 4.04Å; F54-V62 HydrophobicContact CZ-CG2 4.39Å; E60-V62 PolarHBondContact O-N 3.22Å
63	V	54.5	Low	50.6	Low	3 Å²	3	62.5 Å²	62.5	2%	0.018	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.6	178.6	-169.7	0	0	0	0	109.5	L53 M55 T61 V65 D83 L86	L53-V63 HydrophobicContact CB-CB 4.44Å; L53-V63 PolarHBondContact N-O 2.66Å; L53-V63 PolarHBondContact O-N 2.93Å; M55-V63 HydrophobicContact CE-CG2 3.9Å; T61-V63 HydrophobicContact CG2-CG2 4.05Å; V63-V65 HydrophobicContact CG1-CG2 4.45Å; V63-D83 HydrophobicContact CG1-CB 4.13Å; V63-L86 HydrophobicContact CB-CD1 4.4Å; V63-L86 HydrophobicContact CG1-CD1 3.12Å; V63-L86 HydrophobicContact CG1-CD2 3.99Å; V63-L86 HydrophobicContact CG1-CG 3.39Å
64	R	58.8	Low	50.8	Low	78 Å²	78	71.2 Å²	71.2	29%	0.294	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.9	178.6	-167.1	179.6	-167.8	-178	4.4	110	I34 E50 L52 D83	I34-R64 VanDerWaalsContact CD1-CZ 3.45Å; E50-R64 VanDerWaalsContact CD-NE 3.34Å; E50-R64 IonicContact OE1-CZ 3.21Å; E50-R64 IonicContact OE1-NE 2.74Å; E50-R64 PolarHBondContact OE1-NE 2.92Å; E50-R64 IonicContact OE1-NH2 2.93Å; E50-R64 PolarHBondContact OE1-NH2 2.74Å; E50-R64 IonicContact OE2-CZ 3.67Å; E50-R64 IonicContact OE2-NE 3.72Å; E50-R64 IonicContact OE2-NH2 2.78Å; E50-R64 PolarHBondContact OE2-NH2 2.89Å; L52-R64 HydrophobicContact CD2-CB 4.07Å; L52-R64 HydrophobicContact CD2-CG 3.91Å; R64-D83 PolarHBondContact O-N 2.85Å; R64-D83 VanDerWaalsContact O-N 3.12Å
65	V	60.7	Low	51.5	Low	2 Å²	2	75.4 Å²	75.4	1%	0.012	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	113.9	176.1	173.2	0	0	0	0	107.9	A51 L53 V63 L86 F103 I108	A51-V65 HydrophobicContact CB-CB 4.45Å; A51-V65 PolarHBondContact N-O 3.24Å; A51-V65 PolarHBondContact O-N 2.84Å; L53-V65 HydrophobicContact CD1-CG2 4.21Å; V63-V65 HydrophobicContact CG1-CG2 4.45Å; V65-L86 HydrophobicContact CG2-CD1 3.7Å; V65-F103 HydrophobicContact CG1-CE1 4.18Å; V65-I108 HydrophobicContact CB-CD1 4.33Å; V65-I108 HydrophobicContact CG1-CD1 4Å; V65-I108 HydrophobicContact CG2-CD1 4.03Å; V65-I108 HydrophobicContact CG2-CG1 4.31Å
66	T	59.9	Low	52.4	Low	5 Å²	5	74.2 Å²	74.2	3%	0.031	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.1	177.6	-50.7	0	0	0	0	109.1	Y47 Y49 F68 C80 N81	Y47-T66 HydrophobicContact CD2-CG2 4.12Å; Y47-T66 HydrophobicContact CE2-CG2 3.36Å; Y49-T66 CarbonylContact O-C 3.53Å; Y49-T66 WeakPolarHBondContact O-CA 3.19Å; T66-F68 HydrophobicContact CG2-CD2 4.23Å; T66-F68 HydrophobicContact CG2-CE1 4.26Å; T66-F68 HydrophobicContact CG2-CE2 3.5Å; T66-F68 VanDerWaalsContact CG2-CE2 3.5Å; T66-F68 HydrophobicContact CG2-CZ 3.52Å; T66-C80 CarbonylContact O-C 3.58Å; T66-C80 WeakPolarHBondContact O-CA 3.23Å; T66-N81 PolarHBondContact N-O 2.8Å; T66-N81 PolarHBondContact O-N 3.39Å
67	L	59	Low	53.5	Low	3 Å²	3	72.4 Å²	72.4	2%	0.016	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.3	174	-60.7	170.2	0	0	0	110	C48 Y49 M79 C80 M100 F103	C48-L67 CarbonylContact C-O 3.54Å; C48-L67 WeakPolarHBondContact CA-O 3.23Å; C48-L67 WeakPolarHBondContact CB-O 3.46Å; C48-L67 PolarHBondContact N-O 2.85Å; C48-L67 VanDerWaalsContact N-O 3.11Å; Y49-L67 HydrophobicContact CD2-CB 4.26Å; Y49-L67 PolarHBondContact N-O 3Å; Y49-L67 PolarHBondContact O-N 3.47Å; L67-M79 CarbonylContact C-O 3.54Å; L67-M79 WeakPolarHBondContact CA-O 3.36Å; L67-C80 HydrophobicContact CD2-CB 3.72Å; L67-M100 HydrophobicContact CD1-CE 3.63Å; L67-M100 HydrophobicContact CD1-SD 3.83Å; L67-F103 HydrophobicContact CD1-CD1 4.35Å; L67-F103 HydrophobicContact CD1-CE1 4.04Å; L67-F103 HydrophobicContact CD1-CZ 4.46Å; L67-F103 HydrophobicContact CD2-CE1 4.11Å; L67-F103 HydrophobicContact CD2-CZ 3.83Å; L67-F103 HydrophobicContact CG-CE1 4.48Å
68	F	60.3	Low	54.8	Low	10 Å²	10	64.5 Å²	64.5	4%	0.044	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	143.6	172	-59.3	-93.4	0	0	0	108.6	L39 L45 Y47 T66 F78 M79 N81	L39-F68 HydrophobicContact CD1-CE1 4.01Å; L39-F68 HydrophobicContact CD1-CZ 4.09Å; L45-F68 HydrophobicContact CB-CB 4.07Å; L45-F68 HydrophobicContact CB-CD1 4.11Å; L45-F68 HydrophobicContact CB-CG 4.4Å; L45-F68 HydrophobicContact CD1-CB 4.22Å; L45-F68 HydrophobicContact CD1-CG 4.34Å; L45-F68 HydrophobicContact CD2-CB 4.36Å; L45-F68 HydrophobicContact CG-CB 4.43Å; Y47-F68 HydrophobicContact CD2-CD1 4.37Å; Y47-F68 AromaticContact CD2-CE1 3.78Å; Y47-F68 HydrophobicContact CD2-CE1 3.78Å; Y47-F68 HydrophobicContact CD2-CZ 4.34Å; Y47-F68 HydrophobicContact CE2-CE1 4.4Å; T66-F68 HydrophobicContact CG2-CD2 4.23Å; T66-F68 HydrophobicContact CG2-CE1 4.26Å; T66-F68 HydrophobicContact CG2-CE2 3.5Å; T66-F68 VanDerWaalsContact CG2-CE2 3.5Å; T66-F68 HydrophobicContact CG2-CZ 3.52Å; F68-F78 CarbonylContact O-C 3.55Å; F68-F78 WeakPolarHBondContact O-CA 3.19Å; F68-M79 HydrophobicContact CB-CB 4.32Å; F68-M79 PolarHBondContact N-O 3.41Å; F68-M79 PolarHBondContact O-N 2.89Å; F68-N81 HydrophobicContact CD2-CB 4.4Å; F68-N81 HydrophobicContact CE2-CB 3.65Å
69	K	59.7	Low	56.1	Low	81 Å²	81	62.2 Å²	62.2	35%	0.352	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.1	169.1	-172.5	-178.1	178.2	-171.9	0	108.1	D46 C48 S71 F78	D46-K69 PolarHBondContact N-O 2.79Å; D46-K69 PolarHBondContact O-N 2.81Å; C48-K69 HydrophobicContact CB-CB 3.98Å; K69-S71 PolarHBondContact O-N 3.12Å; K69-F78 HydrophobicContact CB-CD1 4.04Å; K69-F78 HydrophobicContact CB-CE1 3.87Å; K69-F78 HydrophobicContact CD-CE1 4.35Å; K69-F78 HydrophobicContact CD-CZ 4.47Å; K69-F78 HydrophobicContact CG-CD1 4.35Å; K69-F78 HydrophobicContact CG-CE1 4.01Å; K69-F78 HydrophobicContact CG-CZ 4.41Å
70	D	60.3	Low	57.1	Low	19 Å²	19	57.1 Å²	57.1	10%	0.102	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	112.5	167.9	-167.8	-17	0	0	0	108.8	L45 K72 T73 E77	L45-D70 HydrophobicContact CD2-CB 4.01Å; D70-K72 PolarHBondContact O-N 3.09Å; D70-K72 WeakPolarHBondContact OD1-CB 3.25Å; D70-K72 PolarHBondContact OD1-N 3.15Å; D70-T73 HydrophobicContact CB-CG2 4.25Å; D70-T73 PolarHBondContact O-OG1 2.96Å; D70-E77 PolarHBondContact N-O 2.84Å
71	S	58.2	Low	57.7	Low	60 Å²	60	51.5 Å²	51.5	42%	0.42	26%	0.261	S	S	.	.	S	Bend	trans	-73.2	-14.2	178.4	63.5	0	0	0	0	112.9	A44 K69	A44-S71 PolarHBondContact O-N 2.77Å; A44-S71 PolarHBondContact O-OG 3.2Å; K69-S71 PolarHBondContact O-N 3.12Å
72	K	58.9	Low	58.4	Low	137 Å²	137	49.9 Å²	49.9	60%	0.596	25%	0.252	S	S	*	.	S	Bend	trans	-92.9	-24.5	-177.6	-64.5	-175.9	173.3	-179.6	0	113.7	S42 D70 E74	S42-K72 PolarHBondContact O-NZ 3.28Å; D70-K72 PolarHBondContact O-N 3.09Å; D70-K72 WeakPolarHBondContact OD1-CB 3.25Å; D70-K72 PolarHBondContact OD1-N 3.15Å; K72-E74 PolarHBondContact O-N 3.49Å
73	T	56.5	Low	58.7	Low	36 Å²	36	48.8 Å²	48.8	22%	0.221	24%	0.244	C	C	.	.			trans	-79.1	118.1	176.7	56.5	0	0	0	0	108.7	D70 N75 G76 E77	D70-T73 HydrophobicContact CB-CG2 4.25Å; D70-T73 PolarHBondContact O-OG1 2.96Å; T73-N75 PolarHBondContact O-N 2.79Å; T73-N75 VanDerWaalsContact O-N 3.11Å; T73-G76 PolarHBondContact O-N 3.46Å; T73-E77 HydrophobicContact CG2-CB 4.42Å; T73-E77 HydrophobicContact CG2-CG 4.36Å; T73-E77 PolarHBondContact OG1-N 3.3Å
74	E	53.3	Low	58.8	Low	198 Å²	198	54.4 Å²	54.4	93%	0.925	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-29	174.8	-67.1	-175.3	165.5	0	0	111.5	K72 G76	K72-E74 PolarHBondContact O-N 3.49Å; E74-G76 PolarHBondContact O-N 2.9Å
75	N	56.4	Low	58.5	Low	119 Å²	119	58 Å²	58	64%	0.636	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-2.7	178.9	-61.6	-19.8	0	0	0	113.7	T73 E77	T73-N75 PolarHBondContact O-N 2.79Å; T73-N75 VanDerWaalsContact O-N 3.11Å; N75-E77 HydrophobicContact CB-CG 4.44Å; N75-E77 PolarHBondContact O-N 3.35Å
76	G	56.6	Low	58.3	Low	4 Å²	4	58.5 Å²	58.5	4%	0.041	30%	0.297	C	S	.	.			trans	56.3	48.2	179.6	0	0	0	0	0	113.2	T73 E74 F78 I94	T73-G76 PolarHBondContact O-N 3.46Å; E74-G76 PolarHBondContact O-N 2.9Å; G76-F78 WeakPolarHBondContact O-CD2 3.38Å; G76-I94 VanDerWaalsContact O-CD1 3.28Å; G76-I94 WeakPolarHBondContact O-CD1 2.89Å; G76-I94 WeakPolarHBondContact O-CG1 3.35Å
77	E	59.8	Low	58.3	Low	68 Å²	68	64.6 Å²	64.6	32%	0.318	33%	0.33	S	S	.	.			trans	-61.6	142.6	177.1	-63.2	-178.7	172.6	0	0	111	D70 T73 N75 F92	D70-E77 PolarHBondContact N-O 2.84Å; T73-E77 HydrophobicContact CG2-CB 4.42Å; T73-E77 HydrophobicContact CG2-CG 4.36Å; T73-E77 PolarHBondContact OG1-N 3.3Å; N75-E77 HydrophobicContact CB-CG 4.44Å; N75-E77 PolarHBondContact O-N 3.35Å; E77-F92 WeakPolarHBondContact CA-O 3.31Å
78	F	59.7	Low	58.5	Low	22 Å²	22	65.1 Å²	65.1	10%	0.096	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.6	172.7	-68.2	-90.9	0	0	0	109.6	C48 Y49 F68 K69 G76 H91 F92 I94 L97	C48-F78 HydrophobicContact CB-CE1 4.32Å; Y49-F78 HydrophobicContact CE2-CE1 4.05Å; F68-F78 CarbonylContact O-C 3.55Å; F68-F78 WeakPolarHBondContact O-CA 3.19Å; K69-F78 HydrophobicContact CB-CD1 4.04Å; K69-F78 HydrophobicContact CB-CE1 3.87Å; K69-F78 HydrophobicContact CD-CE1 4.35Å; K69-F78 HydrophobicContact CD-CZ 4.47Å; K69-F78 HydrophobicContact CG-CD1 4.35Å; K69-F78 HydrophobicContact CG-CE1 4.01Å; K69-F78 HydrophobicContact CG-CZ 4.41Å; G76-F78 WeakPolarHBondContact O-CD2 3.38Å; F78-H91 CarbonylContact O-C 3.46Å; F78-H91 WeakPolarHBondContact O-CA 3.47Å; F78-F92 PolarHBondContact N-O 3.45Å; F78-F92 PolarHBondContact O-N 2.99Å; F78-I94 HydrophobicContact CD2-CG1 4.18Å; F78-I94 HydrophobicContact CE2-CD1 4.41Å; F78-I94 HydrophobicContact CE2-CG1 3.51Å; F78-I94 HydrophobicContact CZ-CG1 4.45Å; F78-L97 HydrophobicContact CB-CD1 4.04Å; F78-L97 HydrophobicContact CD2-CD1 3.28Å; F78-L97 HydrophobicContact CE2-CD1 3.74Å; F78-L97 HydrophobicContact CG-CD1 3.75Å
79	M	61.6	Low	58.6	Low	26 Å²	26	67.5 Å²	67.5	13%	0.128	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.6	169.5	-66.6	-179.1	67.7	0	0	109.4	L45 L67 F68 C90	L45-M79 HydrophobicContact CD1-CE 4.5Å; L45-M79 HydrophobicContact CD1-SD 3.83Å; L45-M79 HydrophobicContact CD2-CG 4.5Å; L45-M79 HydrophobicContact CD2-SD 3.68Å; L45-M79 HydrophobicContact CG-SD 4.39Å; L67-M79 CarbonylContact C-O 3.54Å; L67-M79 WeakPolarHBondContact CA-O 3.36Å; F68-M79 HydrophobicContact CB-CB 4.32Å; F68-M79 PolarHBondContact N-O 3.41Å; F68-M79 PolarHBondContact O-N 2.89Å; M79-C90 CarbonylContact C-O 3.52Å; M79-C90 WeakPolarHBondContact CA-O 3.07Å
80	C	61.9	Low	58.6	Low	12 Å²	12	67.5 Å²	67.5	8%	0.081	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.9	164.6	-170.2	0	0	0	0	110.6	T66 L67 C82 C90 F92	T66-C80 CarbonylContact O-C 3.58Å; T66-C80 WeakPolarHBondContact O-CA 3.23Å; L67-C80 HydrophobicContact CD2-CB 3.72Å; C80-C82 HydrophobicContact CB-CB 4.49Å; C80-C82 WeakPolarHBondContact CB-SG 3.31Å; C80-C82 WeakPolarHBondContact SG-CB 3.5Å; C80-C82 PolarHBondContact SG-N 2.84Å; C80-C82 VanDerWaalsContact SG-N 3.41Å; C80-C82 CovalentContact SG-SG 2.05Å; C80-C82 PolarHBondContact SG-SG 3.32Å; C80-C90 PolarHBondContact N-O 2.95Å; C80-F92 HydrophobicContact CB-CE2 3.72Å
81	N	57.9	Low	58.7	Low	80 Å²	80	71.6 Å²	71.6	43%	0.428	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	105.1	151	-166	9.6	0	0	0	108.3	T66 F68	T66-N81 PolarHBondContact N-O 2.8Å; T66-N81 PolarHBondContact O-N 3.39Å; F68-N81 HydrophobicContact CD2-CB 4.4Å; F68-N81 HydrophobicContact CE2-CB 3.65Å
82	C	62.4	Low	58.9	Low	20 Å²	20	69 Å²	69	14%	0.135	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	151.5	-175.3	-73.8	0	0	0	0	107.6	C80 L86 L88	C80-C82 HydrophobicContact CB-CB 4.49Å; C80-C82 WeakPolarHBondContact CB-SG 3.31Å; C80-C82 WeakPolarHBondContact SG-CB 3.5Å; C80-C82 PolarHBondContact SG-N 2.84Å; C80-C82 VanDerWaalsContact SG-N 3.41Å; C80-C82 CovalentContact SG-SG 2.05Å; C80-C82 PolarHBondContact SG-SG 3.32Å; C82-L86 HydrophobicContact CB-CB 4.43Å; C82-L88 HydrophobicContact CB-CB 4.26Å; C82-L88 HydrophobicContact CB-CD1 4.01Å; C82-L88 WeakPolarHBondContact SG-CD1 3.4Å
83	D	56.7	Low	58.8	Low	42 Å²	42	63.4 Å²	63.4	23%	0.225	34%	0.339	C	S	.	.			trans	-50.6	134	170.8	-163.4	-53.4	0	0	0	109.7	V63 R64 Y85 L86	V63-D83 HydrophobicContact CG1-CB 4.13Å; R64-D83 PolarHBondContact O-N 2.85Å; R64-D83 VanDerWaalsContact O-N 3.12Å; D83-Y85 VanDerWaalsContact CG-CD2 3.49Å; D83-Y85 PolarHBondContact O-N 2.05Å; D83-Y85 WeakPolarHBondContact OD1-CD2 3.35Å; D83-Y85 VanDerWaalsContact OD1-CE2 3.29Å; D83-Y85 WeakPolarHBondContact OD1-CE2 3.4Å; D83-Y85 PolarHBondContact OD1-N 2.78Å; D83-L86 PolarHBondContact O-N 3.2Å
84	P	57.4	Low	58.8	Low	121 Å²	121	65.5 Å²	65.5	79%	0.786	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-21.7	179.8	19.3	-34.7	0	0	0	114.2	L86	P84-L86 VanDerWaalsContact C-N 3.27Å; P84-L86 PolarHBondContact O-N 2.79Å
85	Y	52.6	Low	59.1	Low	154 Å²	154	62 Å²	62	60%	0.604	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-32.9	171.2	-55.9	-61.1	0	0	0	111.8	D83 N87 Q115	D83-Y85 VanDerWaalsContact CG-CD2 3.49Å; D83-Y85 PolarHBondContact O-N 2.05Å; D83-Y85 WeakPolarHBondContact OD1-CD2 3.35Å; D83-Y85 VanDerWaalsContact OD1-CE2 3.29Å; D83-Y85 WeakPolarHBondContact OD1-CE2 3.4Å; D83-Y85 PolarHBondContact OD1-N 2.78Å; Y85-N87 PolarHBondContact O-N 2.73Å; Y85-Q115 PolarHBondContact O-NE2 3.3Å; Y85-Q115 PolarHBondContact O-OE1 3.07Å
86	L	55.4	Low	59	Low	11 Å²	11	61.3 Å²	61.3	6%	0.058	33%	0.333	C	S	.	.	S	Bend	trans	-84.2	108.9	176.6	-63.7	-172.6	0	0	0	111.2	V63 V65 C82 D83 P84 L88 I108 I112	V63-L86 HydrophobicContact CB-CD1 4.4Å; V63-L86 HydrophobicContact CG1-CD1 3.12Å; V63-L86 HydrophobicContact CG1-CD2 3.99Å; V63-L86 HydrophobicContact CG1-CG 3.39Å; V65-L86 HydrophobicContact CG2-CD1 3.7Å; C82-L86 HydrophobicContact CB-CB 4.43Å; D83-L86 PolarHBondContact O-N 3.2Å; P84-L86 VanDerWaalsContact C-N 3.27Å; P84-L86 PolarHBondContact O-N 2.79Å; L86-L88 HydrophobicContact CB-CD1 3.71Å; L86-L88 HydrophobicContact CB-CG 3.82Å; L86-L88 HydrophobicContact CD1-CD1 3.53Å; L86-L88 HydrophobicContact CD1-CG 4.45Å; L86-L88 HydrophobicContact CG-CD1 4.29Å; L86-L88 PolarHBondContact O-N 3.31Å; L86-I108 HydrophobicContact CD1-CG2 3.67Å; L86-I112 HydrophobicContact CD2-CD1 4.24Å; L86-I112 HydrophobicContact CD2-CG1 3.53Å
87	N	60.3	Low	58.9	Low	133 Å²	133	62.5 Å²	62.5	71%	0.711	34%	0.339	S	S	*	.			trans	-70.8	79.1	168.7	-172.5	18.1	0	0	0	109.9	Y85 S111	Y85-N87 PolarHBondContact O-N 2.73Å; N87-S111 PolarHBondContact O-OG 3.36Å
88	L	62.5	Low	58.7	Low	14 Å²	14	64.4 Å²	64.4	7%	0.073	36%	0.355	C	S	.	.			trans	-110.6	145.7	-177.9	-77	178.5	0	0	0	110.4	C82 L86 C90 H107 I108	C82-L88 HydrophobicContact CB-CB 4.26Å; C82-L88 HydrophobicContact CB-CD1 4.01Å; C82-L88 WeakPolarHBondContact SG-CD1 3.4Å; L86-L88 HydrophobicContact CB-CD1 3.71Å; L86-L88 HydrophobicContact CB-CG 3.82Å; L86-L88 HydrophobicContact CD1-CD1 3.53Å; L86-L88 HydrophobicContact CD1-CG 4.45Å; L86-L88 HydrophobicContact CG-CD1 4.29Å; L86-L88 PolarHBondContact O-N 3.31Å; L88-C90 PolarHBondContact O-N 2.97Å; L88-H107 HydrophobicContact CD2-CB 3.49Å; L88-H107 VanDerWaalsContact CD2-CB 3.49Å; L88-H107 VanDerWaalsContact CD2-O 3.23Å; L88-H107 WeakPolarHBondContact CD2-O 3.26Å; L88-I108 HydrophobicContact CD1-CB 4.44Å; L88-I108 HydrophobicContact CD1-CG1 3.82Å
89	P	61.8	Low	58.4	Low	60 Å²	60	65.6 Å²	65.6	39%	0.39	37%	0.366	S	S	.	.			trans	-55	137	170.6	-20.3	28.7	0	0	0	110.3	H91 F92	P89-H91 VanDerWaalsContact C-N 3.28Å; P89-F92 HydrophobicContact CB-CD1 4.24Å; P89-F92 HydrophobicContact CB-CE1 3.54Å; P89-F92 HydrophobicContact CB-CE2 4.25Å; P89-F92 HydrophobicContact CB-CZ 3.54Å; P89-F92 HydrophobicContact CG-CD1 4.42Å; P89-F92 HydrophobicContact CG-CE1 3.48Å; P89-F92 VanDerWaalsContact CG-CE1 3.48Å; P89-F92 HydrophobicContact CG-CZ 3.75Å; P89-F92 WeakPolarHBondContact O-CE2 3.48Å; P89-F92 WeakPolarHBondContact O-CZ 3.17Å
90	C	60.6	Low	58.1	Low	81 Å²	81	67 Å²	67	55%	0.547	37%	0.373	S	S	.	.	S	Bend	trans	-75.9	-20.6	176.9	-62.5	0	0	0	0	112.3	M79 C80 L88	M79-C90 CarbonylContact C-O 3.52Å; M79-C90 WeakPolarHBondContact CA-O 3.07Å; C80-C90 PolarHBondContact N-O 2.95Å; L88-C90 PolarHBondContact O-N 2.97Å
91	H	62.4	Low	57.7	Low	106 Å²	106	68.2 Å²	68.2	49%	0.491	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.8	-176.5	-66.3	-95.8	0	0	0	110.5	F78 P89	F78-H91 CarbonylContact O-C 3.46Å; F78-H91 WeakPolarHBondContact O-CA 3.47Å; P89-H91 VanDerWaalsContact C-N 3.28Å
92	F	63.4	Low	57.7	Low	4 Å²	4	67 Å²	67	2%	0.018	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.6	177.8	-55.3	-89.3	0	0	0	110.1	E77 F78 C80 P89 E96 L97 F103 H107	E77-F92 WeakPolarHBondContact CA-O 3.31Å; F78-F92 PolarHBondContact N-O 3.45Å; F78-F92 PolarHBondContact O-N 2.99Å; C80-F92 HydrophobicContact CB-CE2 3.72Å; P89-F92 HydrophobicContact CB-CD1 4.24Å; P89-F92 HydrophobicContact CB-CE1 3.54Å; P89-F92 HydrophobicContact CB-CE2 4.25Å; P89-F92 HydrophobicContact CB-CZ 3.54Å; P89-F92 HydrophobicContact CG-CD1 4.42Å; P89-F92 HydrophobicContact CG-CE1 3.48Å; P89-F92 VanDerWaalsContact CG-CE1 3.48Å; P89-F92 HydrophobicContact CG-CZ 3.75Å; P89-F92 WeakPolarHBondContact O-CE2 3.48Å; P89-F92 WeakPolarHBondContact O-CZ 3.17Å; F92-E96 WeakPolarHBondContact CA-OE2 3Å; F92-L97 HydrophobicContact CB-CD1 4.38Å; F92-F103 HydrophobicContact CD1-CD2 4.44Å; F92-F103 AromaticContact CD1-CE2 3.86Å; F92-F103 HydrophobicContact CD1-CE2 3.86Å; F92-F103 HydrophobicContact CD2-CE2 4.04Å; F92-F103 HydrophobicContact CE1-CD2 4.34Å; F92-F103 AromaticContact CE1-CE2 3.52Å; F92-F103 HydrophobicContact CE1-CE2 3.52Å; F92-F103 HydrophobicContact CE1-CZ 4.41Å; F92-F103 AromaticContact CE2-CE2 3.73Å; F92-F103 HydrophobicContact CE2-CE2 3.73Å; F92-F103 AromaticContact CE2-CZ 3.99Å; F92-F103 HydrophobicContact CE2-CZ 3.99Å; F92-F103 HydrophobicContact CG-CE2 4.09Å; F92-F103 AromaticContact CZ-CE2 3.45Å; F92-F103 HydrophobicContact CZ-CE2 3.45Å; F92-F103 VanDerWaalsContact CZ-CE2 3.45Å; F92-F103 AromaticContact CZ-CZ 3.9Å; F92-F103 HydrophobicContact CZ-CZ 3.9Å; F92-H107 AromaticContact CE1-CE1 3.91Å; F92-H107 AromaticContact CE1-CG 3.92Å; F92-H107 AromaticContact CE1-ND1 3.86Å
93	G	56.9	Low	57.6	Low	20 Å²	20	66.1 Å²	66.1	21%	0.206	38%	0.375	C	S	.	.			trans	-79.4	151	169.8	0	0	0	0	0	111.7	T95 E96	G93-T95 PolarHBondContact O-N 3.34Å; G93-T95 VanDerWaalsContact O-N 3.15Å; G93-E96 PolarHBondContact N-OE2 3.42Å; G93-E96 VanDerWaalsContact N-OE2 3.08Å; G93-E96 PolarHBondContact O-N 3.18Å
94	I	56.4	Low	57.8	Low	81 Å²	81	65.4 Å²	65.4	42%	0.415	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-50.6	-39	170	-87.5	161.2	0	0	0	111.6	G76 F78 E96 L97	G76-I94 VanDerWaalsContact O-CD1 3.28Å; G76-I94 WeakPolarHBondContact O-CD1 2.89Å; G76-I94 WeakPolarHBondContact O-CG1 3.35Å; F78-I94 HydrophobicContact CD2-CG1 4.18Å; F78-I94 HydrophobicContact CE2-CD1 4.41Å; F78-I94 HydrophobicContact CE2-CG1 3.51Å; F78-I94 HydrophobicContact CZ-CG1 4.45Å; I94-E96 PolarHBondContact O-N 3.45Å; I94-L97 PolarHBondContact O-N 3.06Å
95	T	58	Low	57.8	Low	125 Å²	125	66.5 Å²	66.5	77%	0.767	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-65.6	-23.4	-176.7	50.4	0	0	0	0	113.4	G93	G93-T95 PolarHBondContact O-N 3.34Å; G93-T95 VanDerWaalsContact O-N 3.15Å
96	E	54.8	Low	58.2	Low	103 Å²	103	64.5 Å²	64.5	48%	0.481	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-82.2	-22.3	176.3	-60.3	177.5	148.5	0	0	111.4	F92 G93 I94 T98	F92-E96 WeakPolarHBondContact CA-OE2 3Å; G93-E96 PolarHBondContact N-OE2 3.42Å; G93-E96 VanDerWaalsContact N-OE2 3.08Å; G93-E96 PolarHBondContact O-N 3.18Å; I94-E96 PolarHBondContact O-N 3.45Å; E96-T98 PolarHBondContact O-N 3.11Å
97	L	54.7	Low	58.7	Low	29 Å²	29	65.8 Å²	65.8	15%	0.152	37%	0.367	C	S	.	.			trans	-95.4	59.7	-179.2	-63.3	171.1	0	0	0	111.1	F78 F92 I94 S99 F103	F78-L97 HydrophobicContact CB-CD1 4.04Å; F78-L97 HydrophobicContact CD2-CD1 3.28Å; F78-L97 HydrophobicContact CE2-CD1 3.74Å; F78-L97 HydrophobicContact CG-CD1 3.75Å; F92-L97 HydrophobicContact CB-CD1 4.38Å; I94-L97 PolarHBondContact O-N 3.06Å; L97-S99 PolarHBondContact O-N 2.84Å; L97-F103 HydrophobicContact CD2-CB 3.55Å; L97-F103 HydrophobicContact CD2-CD2 3.2Å; L97-F103 HydrophobicContact CD2-CE2 4.01Å; L97-F103 HydrophobicContact CD2-CG 3.53Å
98	T	55.1	Low	58.7	Low	109 Å²	109	59.6 Å²	59.6	67%	0.669	33%	0.333	S	S	*	.	S	Bend	trans	-57.1	-34.7	175.4	46.2	0	0	0	0	112.3	E96 D102	E96-T98 PolarHBondContact O-N 3.11Å; T98-D102 PolarHBondContact OG1-OD2 2.99Å; T98-D102 VanDerWaalsContact OG1-OD2 3.05Å
99	S	54.7	Low	58.6	Low	47 Å²	47	65.9 Å²	65.9	33%	0.329	36%	0.356	S	S	.	.			trans	-154.2	153.7	166.5	77.6	0	0	0	0	110.9	L97 G101 D102 F103	L97-S99 PolarHBondContact O-N 2.84Å; S99-G101 PolarHBondContact O-N 3.28Å; S99-D102 PolarHBondContact O-N 3.48Å; S99-D102 VanDerWaalsContact O-N 3.1Å; S99-D102 PolarHBondContact OG-N 2.95Å; S99-D102 VanDerWaalsContact OG-N 3.07Å; S99-D102 PolarHBondContact OG-OD2 2.68Å; S99-F103 PolarHBondContact O-N 2.84Å
100	M	54.5	Low	58.5	Low	55 Å²	55	64.9 Å²	64.9	27%	0.271	35%	0.351	S	S	.	.	H	α-helix	trans	-60.1	-32.3	174	-168.8	60.3	65.6	0	0	111.9	Y49 L67 F103 V104	Y49-M100 HydrophobicContact CD1-CE 3.84Å; Y49-M100 HydrophobicContact CD2-CE 4.08Å; Y49-M100 HydrophobicContact CE1-CE 4.13Å; Y49-M100 HydrophobicContact CE2-CE 4.36Å; Y49-M100 HydrophobicContact CG-CE 3.87Å; L67-M100 HydrophobicContact CD1-CE 3.63Å; L67-M100 HydrophobicContact CD1-SD 3.83Å; M100-F103 PolarHBondContact O-N 3.03Å; M100-F103 HydrophobicContact SD-CB 4.47Å; M100-F103 HydrophobicContact SD-CD1 3.95Å; M100-V104 VanDerWaalsContact O-CG2 3.26Å; M100-V104 WeakPolarHBondContact O-CG2 3.01Å; M100-V104 PolarHBondContact O-N 3.17Å
101	G	52.9	Low	58.5	Low	38 Å²	38	61.6 Å²	61.6	39%	0.392	33%	0.329	S	S	.	.	H	α-helix	trans	-64.4	-39	175.5	0	0	0	0	0	112.6	S99 K105	S99-G101 PolarHBondContact O-N 3.28Å; G101-K105 VanDerWaalsContact O-CG 3.32Å; G101-K105 WeakPolarHBondContact O-CG 3.37Å; G101-K105 PolarHBondContact O-N 3.42Å
102	D	58.5	Low	58.2	Low	55 Å²	55	57.1 Å²	57.1	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-68.8	-42.2	175.4	-62.1	-37.1	0	0	0	110.9	T98 S99 V104 K105 Q106	T98-D102 PolarHBondContact OG1-OD2 2.99Å; T98-D102 VanDerWaalsContact OG1-OD2 3.05Å; S99-D102 PolarHBondContact O-N 3.48Å; S99-D102 VanDerWaalsContact O-N 3.1Å; S99-D102 PolarHBondContact OG-N 2.95Å; S99-D102 VanDerWaalsContact OG-N 3.07Å; S99-D102 PolarHBondContact OG-OD2 2.68Å; D102-V104 PolarHBondContact O-N 3.26Å; D102-K105 PolarHBondContact O-N 3.19Å; D102-Q106 VanDerWaalsContact O-CB 3.32Å; D102-Q106 WeakPolarHBondContact O-CB 3.12Å; D102-Q106 VanDerWaalsContact O-CG 3.28Å; D102-Q106 WeakPolarHBondContact O-CG 3.08Å; D102-Q106 PolarHBondContact O-N 2.8Å
103	F	60.6	Low	57.7	Low	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-56.1	-51.5	175.1	175.6	-103.8	0	0	0	112.3	V65 L67 F92 L97 S99 M100 K105 Q106 H107 I108	V65-F103 HydrophobicContact CG1-CE1 4.18Å; L67-F103 HydrophobicContact CD1-CD1 4.35Å; L67-F103 HydrophobicContact CD1-CE1 4.04Å; L67-F103 HydrophobicContact CD1-CZ 4.46Å; L67-F103 HydrophobicContact CD2-CE1 4.11Å; L67-F103 HydrophobicContact CD2-CZ 3.83Å; L67-F103 HydrophobicContact CG-CE1 4.48Å; F92-F103 HydrophobicContact CD1-CD2 4.44Å; F92-F103 AromaticContact CD1-CE2 3.86Å; F92-F103 HydrophobicContact CD1-CE2 3.86Å; F92-F103 HydrophobicContact CD2-CE2 4.04Å; F92-F103 HydrophobicContact CE1-CD2 4.34Å; F92-F103 AromaticContact CE1-CE2 3.52Å; F92-F103 HydrophobicContact CE1-CE2 3.52Å; F92-F103 HydrophobicContact CE1-CZ 4.41Å; F92-F103 AromaticContact CE2-CE2 3.73Å; F92-F103 HydrophobicContact CE2-CE2 3.73Å; F92-F103 AromaticContact CE2-CZ 3.99Å; F92-F103 HydrophobicContact CE2-CZ 3.99Å; F92-F103 HydrophobicContact CG-CE2 4.09Å; F92-F103 AromaticContact CZ-CE2 3.45Å; F92-F103 HydrophobicContact CZ-CE2 3.45Å; F92-F103 VanDerWaalsContact CZ-CE2 3.45Å; F92-F103 AromaticContact CZ-CZ 3.9Å; F92-F103 HydrophobicContact CZ-CZ 3.9Å; L97-F103 HydrophobicContact CD2-CB 3.55Å; L97-F103 HydrophobicContact CD2-CD2 3.2Å; L97-F103 HydrophobicContact CD2-CE2 4.01Å; L97-F103 HydrophobicContact CD2-CG 3.53Å; S99-F103 PolarHBondContact O-N 2.84Å; M100-F103 PolarHBondContact O-N 3.03Å; M100-F103 HydrophobicContact SD-CB 4.47Å; M100-F103 HydrophobicContact SD-CD1 3.95Å; F103-K105 VanDerWaalsContact C-N 3.26Å; F103-K105 PolarHBondContact O-N 2.84Å; F103-Q106 PolarHBondContact O-N 3.46Å; F103-H107 HydrophobicContact CD2-CB 4.29Å; F103-H107 AromaticContact CD2-CD2 3.46Å; F103-H107 VanDerWaalsContact CD2-CD2 3.46Å; F103-H107 WeakPolarHBondContact CD2-CD2 3.34Å; F103-H107 HydrophobicContact CE2-CB 4.13Å; F103-H107 AromaticContact CE2-CD2 3.86Å; F103-H107 WeakPolarHBondContact O-CB 3.32Å; F103-H107 PolarHBondContact O-N 3.42Å; F103-I108 HydrophobicContact CD1-CD1 4.02Å; F103-I108 HydrophobicContact CD1-CG1 4.47Å; F103-I108 HydrophobicContact CE1-CD1 3.72Å; F103-I108 HydrophobicContact CE1-CG1 4.01Å
104	V	59.8	Low	57.9	Low	28 Å²	28	65.1 Å²	65.1	17%	0.17	34%	0.343	C	S	.	.	I	π-helix	trans	-58.6	-41	178.8	172.6	0	0	0	0	110.6	L18 L53 M100 D102 I108 W109	L18-V104 HydrophobicContact CD2-CG2 4.24Å; L53-V104 HydrophobicContact CD2-CG1 4.15Å; M100-V104 VanDerWaalsContact O-CG2 3.26Å; M100-V104 WeakPolarHBondContact O-CG2 3.01Å; M100-V104 PolarHBondContact O-N 3.17Å; D102-V104 PolarHBondContact O-N 3.26Å; V104-I108 HydrophobicContact CB-CD1 4.11Å; V104-I108 HydrophobicContact CG1-CD1 4.26Å; V104-I108 HydrophobicContact CG2-CD1 3.74Å; V104-I108 WeakPolarHBondContact O-CB 3.34Å; V104-I108 PolarHBondContact O-N 3.39Å; V104-W109 WeakPolarHBondContact O-CB 3.42Å; V104-W109 PolarHBondContact O-N 3.32Å
105	K	57.4	Low	57.7	Low	144 Å²	144	64.7 Å²	64.7	63%	0.626	34%	0.34	S	S	*	.	I	π-helix	trans	-71.7	-48.7	179.6	-73.5	174.2	-177.8	176.4	0	113.1	G101 D102 F103 S110	G101-K105 VanDerWaalsContact O-CG 3.32Å; G101-K105 WeakPolarHBondContact O-CG 3.37Å; G101-K105 PolarHBondContact O-N 3.42Å; D102-K105 PolarHBondContact O-N 3.19Å; F103-K105 VanDerWaalsContact C-N 3.26Å; F103-K105 PolarHBondContact O-N 2.84Å; K105-S110 PolarHBondContact O-N 3.08Å
106	Q	62.6	Low	57.2	Low	112 Å²	112	61.7 Å²	61.7	52%	0.523	32%	0.316	S	S	.	.	I	π-helix	trans	-73.4	-37	-172	-70	178.8	13.4	0	0	112	D102 F103 S110	D102-Q106 VanDerWaalsContact O-CB 3.32Å; D102-Q106 WeakPolarHBondContact O-CB 3.12Å; D102-Q106 VanDerWaalsContact O-CG 3.28Å; D102-Q106 WeakPolarHBondContact O-CG 3.08Å; D102-Q106 PolarHBondContact O-N 2.8Å; F103-Q106 PolarHBondContact O-N 3.46Å; Q106-S110 WeakPolarHBondContact O-CB 3.18Å
107	H	64.9	Low	56.9	Low	38 Å²	38	60.3 Å²	60.3	18%	0.176	32%	0.318	C	S	.	.	I	π-helix	trans	-106	-60	-172.9	-63.6	-68.7	0	0	0	110.5	L88 F92 F103 S111	L88-H107 HydrophobicContact CD2-CB 3.49Å; L88-H107 VanDerWaalsContact CD2-CB 3.49Å; L88-H107 VanDerWaalsContact CD2-O 3.23Å; L88-H107 WeakPolarHBondContact CD2-O 3.26Å; F92-H107 AromaticContact CE1-CE1 3.91Å; F92-H107 AromaticContact CE1-CG 3.92Å; F92-H107 AromaticContact CE1-ND1 3.86Å; F103-H107 HydrophobicContact CD2-CB 4.29Å; F103-H107 AromaticContact CD2-CD2 3.46Å; F103-H107 VanDerWaalsContact CD2-CD2 3.46Å; F103-H107 WeakPolarHBondContact CD2-CD2 3.34Å; F103-H107 HydrophobicContact CE2-CB 4.13Å; F103-H107 AromaticContact CE2-CD2 3.86Å; F103-H107 WeakPolarHBondContact O-CB 3.32Å; F103-H107 PolarHBondContact O-N 3.42Å; H107-S111 WeakPolarHBondContact O-CB 3.46Å; H107-S111 PolarHBondContact O-N 2.81Å; H107-S111 PolarHBondContact O-OG 3.07Å
108	I	61.1	Low	56.1	Low	2 Å²	2	62.6 Å²	62.6	1%	0.01	34%	0.341	C	S	.	.	I	π-helix	trans	-71	-53.4	-170.1	-53.2	165.5	0	0	0	111.2	L53 V65 L86 L88 F103 V104 S110 S111 I112	L53-I108 HydrophobicContact CD1-CB 4.15Å; L53-I108 HydrophobicContact CD1-CD1 3.45Å; L53-I108 VanDerWaalsContact CD1-CD1 3.45Å; L53-I108 HydrophobicContact CD1-CG1 4.29Å; L53-I108 HydrophobicContact CD1-CG2 3.37Å; V65-I108 HydrophobicContact CB-CD1 4.33Å; V65-I108 HydrophobicContact CG1-CD1 4Å; V65-I108 HydrophobicContact CG2-CD1 4.03Å; V65-I108 HydrophobicContact CG2-CG1 4.31Å; L86-I108 HydrophobicContact CD1-CG2 3.67Å; L88-I108 HydrophobicContact CD1-CB 4.44Å; L88-I108 HydrophobicContact CD1-CG1 3.82Å; F103-I108 HydrophobicContact CD1-CD1 4.02Å; F103-I108 HydrophobicContact CD1-CG1 4.47Å; F103-I108 HydrophobicContact CE1-CD1 3.72Å; F103-I108 HydrophobicContact CE1-CG1 4.01Å; V104-I108 HydrophobicContact CB-CD1 4.11Å; V104-I108 HydrophobicContact CG1-CD1 4.26Å; V104-I108 HydrophobicContact CG2-CD1 3.74Å; V104-I108 WeakPolarHBondContact O-CB 3.34Å; V104-I108 PolarHBondContact O-N 3.39Å; I108-S110 VanDerWaalsContact C-N 3.34Å; I108-S110 PolarHBondContact O-N 2.85Å; I108-S111 PolarHBondContact O-N 2.93Å; I108-I112 HydrophobicContact CG2-CD1 3.74Å; I108-I112 WeakPolarHBondContact O-CB 3.32Å; I108-I112 WeakPolarHBondContact O-CD1 3.47Å; I108-I112 VanDerWaalsContact O-CG1 3.28Å; I108-I112 WeakPolarHBondContact O-CG1 3.28Å; I108-I112 PolarHBondContact O-N 2.82Å
109	W	58.9	Low	55.3	Low	146 Å²	146	64 Å²	64	55%	0.553	34%	0.344	S	S	*	.	I	π-helix	trans	-64.3	-39.3	179.4	-171.4	-99	0	0	0	111.7	V104 I112 C113	V104-W109 WeakPolarHBondContact O-CB 3.42Å; V104-W109 PolarHBondContact O-N 3.32Å; W109-I112 PolarHBondContact O-N 3.1Å; W109-C113 PolarHBondContact NE1-SG 2.8Å; W109-C113 WeakPolarHBondContact O-CB 3.42Å; W109-C113 PolarHBondContact O-N 3.05Å; W109-C113 PolarHBondContact O-SG 3.43Å
110	S	60.7	Low	54.4	Low	39 Å²	39	72.7 Å²	72.7	27%	0.273	38%	0.38	S	S	.	.	H	α-helix	trans	-62.6	-44.2	175.5	-170.7	0	0	0	0	112.2	K105 Q106 I108 C113 K114	K105-S110 PolarHBondContact O-N 3.08Å; Q106-S110 WeakPolarHBondContact O-CB 3.18Å; I108-S110 VanDerWaalsContact C-N 3.34Å; I108-S110 PolarHBondContact O-N 2.85Å; S110-C113 PolarHBondContact O-N 3.25Å; S110-K114 WeakPolarHBondContact O-CB 3.42Å; S110-K114 VanDerWaalsContact O-CG 3.31Å; S110-K114 WeakPolarHBondContact O-CG 3.39Å; S110-K114 PolarHBondContact O-N 2.99Å
111	S	61	Low	54.4	Low	13 Å²	13	73.6 Å²	73.6	9%	0.091	39%	0.385	C	S	.	.	H	α-helix	trans	-67.4	-39.8	178.5	-69.6	0	0	0	0	112.3	N87 H107 I108 K114 Q115	N87-S111 PolarHBondContact O-OG 3.36Å; H107-S111 WeakPolarHBondContact O-CB 3.46Å; H107-S111 PolarHBondContact O-N 2.81Å; H107-S111 PolarHBondContact O-OG 3.07Å; I108-S111 PolarHBondContact O-N 2.93Å; S111-K114 PolarHBondContact O-N 3.11Å; S111-Q115 WeakPolarHBondContact O-CG 3.28Å; S111-Q115 PolarHBondContact O-N 3.49Å
112	I	55	Low	54.5	Low	12 Å²	12	75.5 Å²	75.5	6%	0.062	39%	0.385	C	S	.	.	H	α-helix	trans	-54.7	-59.1	168.9	-73.6	162.7	0	0	0	109.4	M55 L86 I108 W109 K114 Q115 F116	M55-I112 HydrophobicContact CE-CG1 4.43Å; M55-I112 HydrophobicContact CE-CG2 4.41Å; M55-I112 HydrophobicContact CG-CD1 4.23Å; M55-I112 HydrophobicContact SD-CB 4.06Å; M55-I112 HydrophobicContact SD-CD1 3.49Å; M55-I112 WeakPolarHBondContact SD-CD1 3.48Å; M55-I112 HydrophobicContact SD-CG1 3.65Å; M55-I112 HydrophobicContact SD-CG2 3.23Å; M55-I112 WeakPolarHBondContact SD-CG2 3.28Å; L86-I112 HydrophobicContact CD2-CD1 4.24Å; L86-I112 HydrophobicContact CD2-CG1 3.53Å; I108-I112 HydrophobicContact CG2-CD1 3.74Å; I108-I112 WeakPolarHBondContact O-CB 3.32Å; I108-I112 WeakPolarHBondContact O-CD1 3.47Å; I108-I112 VanDerWaalsContact O-CG1 3.28Å; I108-I112 WeakPolarHBondContact O-CG1 3.28Å; I108-I112 PolarHBondContact O-N 2.82Å; W109-I112 PolarHBondContact O-N 3.1Å; I112-K114 VanDerWaalsContact C-N 3.31Å; I112-K114 PolarHBondContact O-N 2.73Å; I112-Q115 PolarHBondContact O-N 3.32Å; I112-F116 HydrophobicContact CG2-CD2 3.68Å; I112-F116 HydrophobicContact CG2-CE2 3.9Å; I112-F116 WeakPolarHBondContact O-CD2 3.15Å; I112-F116 PolarHBondContact O-N 3.27Å
113	C	54.1	Low	54.3	Low	52 Å²	52	76.6 Å²	76.6	35%	0.351	39%	0.39	S	S	.	.	H	α-helix	trans	-56	-44.7	-176.9	-75	0	0	0	0	112.1	W109 S110 Q115 F116 S117	W109-C113 PolarHBondContact NE1-SG 2.8Å; W109-C113 WeakPolarHBondContact O-CB 3.42Å; W109-C113 PolarHBondContact O-N 3.05Å; W109-C113 PolarHBondContact O-SG 3.43Å; S110-C113 PolarHBondContact O-N 3.25Å; C113-Q115 PolarHBondContact O-N 3.15Å; C113-F116 PolarHBondContact O-N 3.05Å; C113-S117 WeakPolarHBondContact O-CB 3.16Å; C113-S117 PolarHBondContact O-N 3.09Å; C113-S117 PolarHBondContact O-OG 3.5Å
114	K	59.8	Low	53.9	Low	139 Å²	139	81.1 Å²	81.1	60%	0.604	41%	0.413	S	S	*	.	H	α-helix	trans	-59.2	-34.6	179.3	-77.3	173.6	-176	173.7	0	113.2	S110 S111 I112 S117 A118	S110-K114 WeakPolarHBondContact O-CB 3.42Å; S110-K114 VanDerWaalsContact O-CG 3.31Å; S110-K114 WeakPolarHBondContact O-CG 3.39Å; S110-K114 PolarHBondContact O-N 2.99Å; S111-K114 PolarHBondContact O-N 3.11Å; I112-K114 VanDerWaalsContact C-N 3.31Å; I112-K114 PolarHBondContact O-N 2.73Å; K114-S117 PolarHBondContact O-OG 2.92Å; K114-A118 WeakPolarHBondContact O-CB 3.47Å
115	Q	52.2	Low	53.5	Low	72 Å²	72	84.4 Å²	84.4	34%	0.336	43%	0.428	S	S	.	.	H	α-helix	trans	-77.9	-46.1	179.3	-72.6	-178.9	-10.6	0	0	111.5	Y85 S111 I112 C113 A118	Y85-Q115 PolarHBondContact O-NE2 3.3Å; Y85-Q115 PolarHBondContact O-OE1 3.07Å; S111-Q115 WeakPolarHBondContact O-CG 3.28Å; S111-Q115 PolarHBondContact O-N 3.49Å; I112-Q115 PolarHBondContact O-N 3.32Å; C113-Q115 PolarHBondContact O-N 3.15Å; Q115-A118 WeakPolarHBondContact O-CB 3.43Å; Q115-A118 PolarHBondContact O-N 3.05Å; Q115-A118 VanDerWaalsContact O-N 3.17Å
116	F	47.1	Very low	53.3	Low	62 Å²	62	80.5 Å²	80.5	27%	0.272	42%	0.415	S	S	.	.	H	α-helix	trans	-77.5	-22.9	-178.8	-65.5	-74.3	0	0	0	113.6	M55 Y59 I112 C113 D119	M55-F116 HydrophobicContact CE-CE2 3.61Å; M55-F116 HydrophobicContact CE-CZ 3.8Å; M55-F116 HydrophobicContact SD-CE2 4.1Å; Y59-F116 HydrophobicContact CD1-CE1 4.2Å; Y59-F116 HydrophobicContact CE1-CD1 4.33Å; Y59-F116 HydrophobicContact CE1-CE1 4.32Å; I112-F116 HydrophobicContact CG2-CD2 3.68Å; I112-F116 HydrophobicContact CG2-CE2 3.9Å; I112-F116 WeakPolarHBondContact O-CD2 3.15Å; I112-F116 PolarHBondContact O-N 3.27Å; C113-F116 PolarHBondContact O-N 3.05Å; F116-D119 PolarHBondContact O-N 3.4Å
117	S	49.7	Very low	52.6	Low	75 Å²	75	78.2 Å²	78.2	52%	0.524	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-11.5	169.3	67.4	0	0	0	0	112.9	C113 K114	C113-S117 WeakPolarHBondContact O-CB 3.16Å; C113-S117 PolarHBondContact O-N 3.09Å; C113-S117 PolarHBondContact O-OG 3.5Å; K114-S117 PolarHBondContact O-OG 2.92Å
118	A	38.5	Very low	51.6	Low	76 Å²	76	81.3 Å²	81.3	63%	0.628	43%	0.425	S	S	*	.	S	Bend	trans	-87.6	-13	173.3	0	0	0	0	0	112.4	K114 Q115	K114-A118 WeakPolarHBondContact O-CB 3.47Å; Q115-A118 WeakPolarHBondContact O-CB 3.43Å; Q115-A118 PolarHBondContact O-N 3.05Å; Q115-A118 VanDerWaalsContact O-N 3.17Å
119	D	37.7	Very low	50.9	Low	139 Å²	139	87.9 Å²	87.9	74%	0.743	46%	0.459	S	S	*	.			trans	-86.6	-3.9	174.6	-80.2	-32.2	0	0	0	113.2	F116	F116-D119 PolarHBondContact O-N 3.4Å
120	E	35.5	Very low	50.1	Low	230 Å²	230	82.6 Å²	82.6	100%	1.075	45%	0.451	S	S	*	.			trans	-102	0	170.9	-67	-168.8	129	0	0	111.9

Retrieved 120 of 120 residues in 60.3 ms (Link to these results)

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