G4V7L9_SCHMA Loading...

Smp_200600

AlphaFold DB , UniProt , Accession G4V7L9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 120 aa.

						>G4V7L9_SCHMA|G4V7L9
MNKRVGANQSELDGVLSTEFYIVWKEKGGERRRNIHHLIHILSNTTLIHLILYIIIIYPLNHFTHSATLAFTIIHYTTPTHSLVLPHTHHLLLHYTIVIYITPVHHASQYSKFNAVYQYV
					

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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	32.2	Very low	31.7	Very low	220 Å²	220	143.9 Å²	143.9	100%	1.084	76%	0.756	S	S	*	*				0	88	0	-168.4	162.6	147.2	0	0	107.2	K3	M1-K3 PolarHBondContact O-N 3.46Å
2	N	31.8	Very low	31.8	Very low	171 Å²	171	142.9 Å²	142.9	91%	0.914	75%	0.751	S	S	*	*			trans	-73.8	96.8	-172.8	-73.4	-8.4	0	0	0	109.3	R4	N2-R4 PolarHBondContact O-N 3.41Å; N2-R4 VanDerWaalsContact O-N 3.1Å
3	K	29.6	Very low	31.7	Very low	178 Å²	178	141.6 Å²	141.6	77%	0.774	75%	0.745	S	S	*	*			trans	-66.2	107.3	167.1	-75.1	-175.4	176.5	-178.6	0	107	M1 V5	M1-K3 PolarHBondContact O-N 3.46Å; K3-V5 PolarHBondContact O-N 2.86Å
4	R	27.2	Very low	31.9	Very low	242 Å²	242	135.1 Å²	135.1	91%	0.913	73%	0.729	S	S	*	*			trans	-55	106.5	157.9	-79.6	-177.3	173	-167.4	-2.3	106	N2 G6	N2-R4 PolarHBondContact O-N 3.41Å; N2-R4 VanDerWaalsContact O-N 3.1Å; R4-G6 PolarHBondContact O-N 3.31Å
5	V	30.9	Very low	32.1	Very low	138 Å²	138	134.3 Å²	134.3	84%	0.836	73%	0.73	S	S	*	*			trans	-64	98.9	162.6	178.3	0	0	0	0	104	K3 A7	K3-V5 PolarHBondContact O-N 2.86Å; V5-A7 PolarHBondContact O-N 2.98Å
6	G	28.2	Very low	32.3	Very low	56 Å²	56	134.3 Å²	134.3	58%	0.577	73%	0.728	S	S	*	*			trans	-61.9	108.3	168.5	0	0	0	0	0	106.1	R4 N8	R4-G6 PolarHBondContact O-N 3.31Å; G6-N8 PolarHBondContact O-N 2.93Å
7	A	31.6	Very low	32.5	Very low	68 Å²	68	130.2 Å²	130.2	56%	0.562	71%	0.712	S	S	*	*			trans	-52.5	116.2	158.9	0	0	0	0	0	105.4	V5 Q9	V5-A7 PolarHBondContact O-N 2.98Å; A7-Q9 PolarHBondContact O-N 3.12Å
8	N	33.9	Very low	32.7	Very low	117 Å²	117	124.7 Å²	124.7	63%	0.626	68%	0.683	S	S	*	*			trans	-55.8	132.5	176.8	-76.4	-34.6	0	0	0	106.7	G6 S10 E11	G6-N8 PolarHBondContact O-N 2.93Å; N8-S10 WeakPolarHBondContact CB-OG 3.21Å; N8-S10 PolarHBondContact O-N 2.92Å; N8-E11 PolarHBondContact O-N 3.48Å
9	Q	34.6	Very low	33	Very low	156 Å²	156	123.3 Å²	123.3	73%	0.729	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-51	-17.5	174.6	-150.8	88.8	22.8	0	0	112.1	A7 E11 L12	A7-Q9 PolarHBondContact O-N 3.12Å; Q9-E11 VanDerWaalsContact C-N 3.32Å; Q9-E11 PolarHBondContact O-N 3.21Å; Q9-L12 PolarHBondContact O-N 2.75Å
10	S	34.1	Very low	33.3	Very low	85 Å²	85	120.2 Å²	120.2	59%	0.594	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-71.3	-10.4	172.4	67.7	0	0	0	0	116	N8	N8-S10 WeakPolarHBondContact CB-OG 3.21Å; N8-S10 PolarHBondContact O-N 2.92Å
11	E	34.5	Very low	33.7	Very low	152 Å²	152	118.1 Å²	118.1	71%	0.71	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-88.1	-16.6	169.4	-74	-177.2	155.3	0	0	112.2	N8 Q9	N8-E11 PolarHBondContact O-N 3.48Å; Q9-E11 VanDerWaalsContact C-N 3.32Å; Q9-E11 PolarHBondContact O-N 3.21Å
12	L	33.1	Very low	34.4	Very low	132 Å²	132	112 Å²	112	69%	0.691	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-14.9	171.5	-87.1	143.1	0	0	0	112.8	Q9 G14	Q9-L12 PolarHBondContact O-N 2.75Å; L12-G14 PolarHBondContact O-N 2.75Å
13	D	31.1	Very low	35	Very low	126 Å²	126	106.8 Å²	106.8	67%	0.674	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	25	168.9	-72.2	-26.7	0	0	0	112.2	V15	D13-V15 PolarHBondContact O-N 2.91Å
14	G	33.6	Very low	35.9	Very low	50 Å²	50	104.1 Å²	104.1	52%	0.515	56%	0.564	S	S	.	*			trans	-62.4	84.9	155.6	0	0	0	0	0	107	L12 L16	L12-G14 PolarHBondContact O-N 2.75Å; G14-L16 VanDerWaalsContact C-N 3.32Å; G14-L16 PolarHBondContact O-N 2.98Å
15	V	35.4	Very low	36.7	Very low	123 Å²	123	100.8 Å²	100.8	75%	0.745	56%	0.557	S	S	*	*			trans	-42.4	105.1	170.9	174.5	0	0	0	0	105.3	D13 S17	D13-V15 PolarHBondContact O-N 2.91Å; V15-S17 PolarHBondContact O-N 2.71Å
16	L	34.9	Very low	37.3	Very low	135 Å²	135	96 Å²	96	71%	0.707	53%	0.525	S	S	*	.			trans	-67.8	72.9	173.7	-78.5	161.6	0	0	0	105.6	G14 T18	G14-L16 VanDerWaalsContact C-N 3.32Å; G14-L16 PolarHBondContact O-N 2.98Å; L16-T18 PolarHBondContact O-N 3.02Å; L16-T18 PolarHBondContact O-OG1 3.37Å
17	S	35.2	Very low	38	Very low	64 Å²	64	103.1 Å²	103.1	45%	0.448	54%	0.54	S	S	.	.			trans	-70.2	85.4	172.5	64.7	0	0	0	0	105.6	V15 E19 V104	V15-S17 PolarHBondContact O-N 2.71Å; S17-E19 PolarHBondContact O-N 3.45Å; S17-V104 WeakPolarHBondContact O-CG2 3.41Å
18	T	36.8	Very low	38.4	Very low	32 Å²	32	102.4 Å²	102.4	20%	0.196	54%	0.539	C	S	.	.			trans	-80.9	103.6	171.8	-47.6	0	0	0	0	105.4	L16 F20 L60 I101	L16-T18 PolarHBondContact O-N 3.02Å; L16-T18 PolarHBondContact O-OG1 3.37Å; T18-F20 HydrophobicContact CG2-CD1 4.45Å; T18-F20 HydrophobicContact CG2-CD2 4.42Å; T18-F20 HydrophobicContact CG2-CE1 3.72Å; T18-F20 HydrophobicContact CG2-CE2 3.67Å; T18-F20 HydrophobicContact CG2-CZ 3.25Å; T18-F20 WeakPolarHBondContact O-CD2 3.35Å; T18-F20 VanDerWaalsContact O-CE2 3.25Å; T18-F20 WeakPolarHBondContact O-CE2 3.38Å; T18-L60 HydrophobicContact CG2-CD1 4.08Å; T18-I101 HydrophobicContact CG2-CG2 4.33Å
19	E	39.1	Very low	38.8	Very low	98 Å²	98	101 Å²	101	46%	0.458	55%	0.553	S	S	.	*			trans	-77.8	121	174.7	-67.6	-175.8	154.9	0	0	108.9	S17 Y21 Y110	S17-E19 PolarHBondContact O-N 3.45Å; E19-Y21 HydrophobicContact CB-CE2 4.07Å; E19-Y21 PolarHBondContact OE2-OH 3.02Å; E19-Y110 PolarHBondContact OE2-OH 3.28Å
20	F	39.3	Very low	39.2	Very low	61 Å²	61	98.2 Å²	98.2	27%	0.268	54%	0.54	S	S	.	.			trans	-105.6	118.6	177.8	-62.1	-82.4	0	0	0	109.5	T18 I56 L60 I99 I101	T18-F20 HydrophobicContact CG2-CD1 4.45Å; T18-F20 HydrophobicContact CG2-CD2 4.42Å; T18-F20 HydrophobicContact CG2-CE1 3.72Å; T18-F20 HydrophobicContact CG2-CE2 3.67Å; T18-F20 HydrophobicContact CG2-CZ 3.25Å; T18-F20 WeakPolarHBondContact O-CD2 3.35Å; T18-F20 VanDerWaalsContact O-CE2 3.25Å; T18-F20 WeakPolarHBondContact O-CE2 3.38Å; F20-I56 HydrophobicContact CD1-CG1 4.33Å; F20-I56 HydrophobicContact CD2-CD1 4.14Å; F20-I56 HydrophobicContact CD2-CG1 4.29Å; F20-I56 HydrophobicContact CE1-CB 4.3Å; F20-I56 HydrophobicContact CE1-CG1 3.98Å; F20-I56 HydrophobicContact CE1-CG2 4.41Å; F20-I56 HydrophobicContact CE2-CB 4.36Å; F20-I56 HydrophobicContact CE2-CD1 3.95Å; F20-I56 HydrophobicContact CE2-CG1 3.94Å; F20-I56 HydrophobicContact CE2-CG2 3.84Å; F20-I56 HydrophobicContact CG-CG1 4.48Å; F20-I56 HydrophobicContact CZ-CB 3.91Å; F20-I56 HydrophobicContact CZ-CD1 4.31Å; F20-I56 HydrophobicContact CZ-CG1 3.78Å; F20-I56 HydrophobicContact CZ-CG2 3.55Å; F20-L60 HydrophobicContact CZ-CD1 3.77Å; F20-I99 HydrophobicContact CD1-CG2 3.63Å; F20-I99 HydrophobicContact CE1-CG2 4.4Å; F20-I101 HydrophobicContact CE1-CD1 4.38Å; F20-I101 HydrophobicContact CE1-CG1 4.37Å
21	Y	41.5	Very low	39.8	Very low	77 Å²	77	103.4 Å²	103.4	30%	0.302	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	115.6	171.7	-64.5	-89.2	0	0	0	108.7	E19	E19-Y21 HydrophobicContact CB-CE2 4.07Å; E19-Y21 PolarHBondContact OE2-OH 3.02Å
22	I	47.1	Very low	40.2	Very low	91 Å²	91	106.8 Å²	106.8	47%	0.467	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.3	103	172.8	-67.9	172.1	0	0	0	107.4	I97	I22-I97 HydrophobicContact CG1-CG2 4.22Å; I22-I97 HydrophobicContact CG2-CG1 4.47Å; I22-I97 HydrophobicContact CG2-CG2 3.99Å
23	V	43.1	Very low	40.8	Very low	62 Å²	62	108 Å²	108	38%	0.376	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	118.6	171.6	-174	0	0	0	0	107.8	Y117	V23-Y117 HydrophobicContact CG2-CE1 3.66Å
24	W	48.9	Very low	41.6	Very low	121 Å²	121	102.6 Å²	102.6	46%	0.458	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.9	172.5	78.6	88.8	0	0	0	110.5	I35	W24-I35 HydrophobicContact CZ2-CD1 3.85Å; W24-I35 HydrophobicContact CZ2-CG1 4.18Å
25	K	43.6	Very low	42.4	Very low	173 Å²	173	103.1 Å²	103.1	75%	0.752	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.4	169.6	-172.3	173.6	-177.5	172.1	0	108.9
26	E	44.7	Very low	43.1	Very low	38 Å²	38	104.1 Å²	104.1	18%	0.178	51%	0.506	C	S	.	.			trans	-100.9	131.3	-177.1	-174.1	159.4	-114.1	0	0	110.6	R31 N34	E26-R31 WeakPolarHBondContact OE2-CA 3.44Å; E26-N34 WeakPolarHBondContact OE1-CB 3.43Å; E26-N34 PolarHBondContact OE1-ND2 3.42Å
27	K	41.8	Very low	43.9	Very low	204 Å²	204	101.8 Å²	101.8	89%	0.887	49%	0.491	S	S	*	.	S	Bend	trans	-96.9	106.3	170.7	-91.5	-170.9	173	-177.5	0	108.8
28	G	40.7	Very low	44.7	Very low	53 Å²	53	100 Å²	100	55%	0.546	48%	0.477	S	S	.	.	S	Bend	trans	123.1	135.3	175.3	0	0	0	0	0	112.6	E30	G28-E30 PolarHBondContact O-N 3.46Å
29	G	41.3	Very low	45.7	Very low	89 Å²	89	103 Å²	103	92%	0.918	49%	0.49	S	S	*	.	S	Bend	trans	-70	18.3	-164	0	0	0	0	0	118.5	R31	G29-R31 PolarHBondContact O-N 2.83Å
30	E	43.2	Very low	46.4	Very low	96 Å²	96	104.6 Å²	104.6	45%	0.449	50%	0.498	S	S	.	.			trans	-103	59.2	-179.8	-71.3	-144.8	148.7	0	0	113.4	G28 R32 R33 N34	G28-E30 PolarHBondContact O-N 3.46Å; E30-R32 PolarHBondContact O-N 2.81Å; E30-R33 PolarHBondContact O-N 3.21Å; E30-R33 IonicContact OE1-CZ 3.65Å; E30-R33 IonicContact OE1-NE 3.79Å; E30-R33 IonicContact OE1-NH2 2.75Å; E30-R33 PolarHBondContact OE1-NH2 3.23Å; E30-R33 IonicContact OE2-CZ 3.3Å; E30-R33 VanDerWaalsContact OE2-CZ 3.3Å; E30-R33 IonicContact OE2-NE 2.75Å; E30-R33 PolarHBondContact OE2-NE 2.8Å; E30-R33 IonicContact OE2-NH2 3.21Å; E30-R33 PolarHBondContact OE2-NH2 3.12Å; E30-N34 PolarHBondContact O-ND2 2.81Å
31	R	47.3	Very low	47	Very low	195 Å²	195	102.9 Å²	102.9	74%	0.736	49%	0.491	S	S	*	.	H	α-helix	trans	-53.1	-29.4	-173.1	-127.7	178.9	178.2	-171.3	-1.1	116.1	E26 G29 I35	E26-R31 WeakPolarHBondContact OE2-CA 3.44Å; G29-R31 PolarHBondContact O-N 2.83Å; R31-I35 WeakPolarHBondContact O-CD1 3.5Å; R31-I35 WeakPolarHBondContact O-CG1 3.23Å
32	R	43.5	Very low	47.5	Very low	223 Å²	223	102.4 Å²	102.4	84%	0.842	49%	0.493	S	S	*	.	H	α-helix	trans	-90.5	-37.2	-174.1	-73.6	-172	175.8	-156.6	-0.5	113.9	E30 N34 H36	E30-R32 PolarHBondContact O-N 2.81Å; R32-N34 VanDerWaalsContact C-N 3.31Å; R32-H36 PolarHBondContact O-N 2.91Å
33	R	45.3	Very low	47.7	Very low	158 Å²	158	101.2 Å²	101.2	60%	0.596	49%	0.493	S	S	*	.	H	α-helix	trans	-70	-35.7	-176.3	-139.5	-171.4	-59.9	-133.2	2.5	110.8	E30 H36 H37	E30-R33 PolarHBondContact O-N 3.21Å; E30-R33 IonicContact OE1-CZ 3.65Å; E30-R33 IonicContact OE1-NE 3.79Å; E30-R33 IonicContact OE1-NH2 2.75Å; E30-R33 PolarHBondContact OE1-NH2 3.23Å; E30-R33 IonicContact OE2-CZ 3.3Å; E30-R33 VanDerWaalsContact OE2-CZ 3.3Å; E30-R33 IonicContact OE2-NE 2.75Å; E30-R33 PolarHBondContact OE2-NE 2.8Å; E30-R33 IonicContact OE2-NH2 3.21Å; E30-R33 PolarHBondContact OE2-NH2 3.12Å; R33-H36 PolarHBondContact O-N 3.27Å; R33-H37 PolarHBondContact O-N 2.75Å
34	N	46.8	Very low	48.2	Very low	12 Å²	12	102.5 Å²	102.5	6%	0.064	50%	0.498	C	S	.	.	H	α-helix	trans	-79.1	-29.9	-177.8	-65.4	-22.2	0	0	0	114	E26 E30 R32 H36 H37 L38 L93	E26-N34 WeakPolarHBondContact OE1-CB 3.43Å; E26-N34 PolarHBondContact OE1-ND2 3.42Å; E30-N34 PolarHBondContact O-ND2 2.81Å; R32-N34 VanDerWaalsContact C-N 3.31Å; N34-H36 VanDerWaalsContact C-N 3.35Å; N34-H37 PolarHBondContact O-N 3.42Å; N34-L38 WeakPolarHBondContact O-CB 3.35Å; N34-L38 PolarHBondContact O-N 3.33Å; N34-L93 HydrophobicContact CB-CD2 4.17Å; N34-L93 VanDerWaalsContact CG-CD2 3.44Å; N34-L93 WeakPolarHBondContact ND2-CD2 3.26Å; N34-L93 WeakPolarHBondContact OD1-CD2 3.38Å
35	I	50.3	Low	48.3	Very low	61 Å²	61	101.2 Å²	101.2	31%	0.313	50%	0.503	S	S	.	.	H	α-helix	trans	-63.4	-44.5	169.1	-75	170.2	0	0	0	110	W24 R31 H37 L38 I39	W24-I35 HydrophobicContact CZ2-CD1 3.85Å; W24-I35 HydrophobicContact CZ2-CG1 4.18Å; R31-I35 WeakPolarHBondContact O-CD1 3.5Å; R31-I35 WeakPolarHBondContact O-CG1 3.23Å; I35-H37 VanDerWaalsContact C-N 3.32Å; I35-H37 PolarHBondContact O-N 3.45Å; I35-L38 PolarHBondContact O-N 3.36Å; I35-I39 HydrophobicContact CG2-CD1 3.68Å; I35-I39 HydrophobicContact CG2-CG1 4.32Å; I35-I39 WeakPolarHBondContact O-CB 3.45Å; I35-I39 WeakPolarHBondContact O-CG1 3.43Å; I35-I39 PolarHBondContact O-N 3.37Å
36	H	50.6	Low	48.8	Very low	144 Å²	144	98.1 Å²	98.1	67%	0.667	50%	0.499	S	S	*	.	H	α-helix	trans	-63.4	-39.8	176.8	-122	-83.4	0	0	0	111.7	R32 R33 N34 H40	R32-H36 PolarHBondContact O-N 2.91Å; R33-H36 PolarHBondContact O-N 3.27Å; N34-H36 VanDerWaalsContact C-N 3.35Å; H36-H40 VanDerWaalsContact O-CB 3.25Å; H36-H40 WeakPolarHBondContact O-CB 3.37Å; H36-H40 PolarHBondContact O-N 3.36Å
37	H	52	Low	49.2	Very low	85 Å²	85	99.5 Å²	99.5	39%	0.394	51%	0.507	S	S	.	.	H	α-helix	trans	-66.6	-39.9	173.6	-107.5	-95.5	0	0	0	113.1	R33 N34 I35 H40 I41	R33-H37 PolarHBondContact O-N 2.75Å; N34-H37 PolarHBondContact O-N 3.42Å; I35-H37 VanDerWaalsContact C-N 3.32Å; I35-H37 PolarHBondContact O-N 3.45Å; H37-H40 PolarHBondContact O-N 2.84Å; H37-I41 WeakPolarHBondContact O-CB 2.73Å; H37-I41 WeakPolarHBondContact O-CD1 3.42Å; H37-I41 WeakPolarHBondContact O-CG1 3.21Å; H37-I41 PolarHBondContact O-N 2.82Å
38	L	53	Low	50	Low	28 Å²	28	91.5 Å²	91.5	15%	0.147	47%	0.474	C	S	.	.	H	α-helix	trans	-64	-46.7	175.4	-176	74.2	0	0	0	109.9	N34 I35 H40 I41 L42 Y95	N34-L38 WeakPolarHBondContact O-CB 3.35Å; N34-L38 PolarHBondContact O-N 3.33Å; I35-L38 PolarHBondContact O-N 3.36Å; L38-H40 VanDerWaalsContact C-N 3.27Å; L38-H40 PolarHBondContact O-N 2.76Å; L38-I41 PolarHBondContact O-N 3.37Å; L38-L42 HydrophobicContact CD1-CD1 4.31Å; L38-L42 HydrophobicContact CD2-CD1 4.34Å; L38-L42 HydrophobicContact CG-CD1 3.82Å; L38-L42 HydrophobicContact CG-CG 4.37Å; L38-L42 WeakPolarHBondContact O-CB 3.21Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.41Å; L38-Y95 HydrophobicContact CD1-CD1 4.21Å; L38-Y95 HydrophobicContact CD1-CE1 4.26Å; L38-Y95 HydrophobicContact CD1-CG 4.31Å
39	I	56.5	Low	50.7	Low	94 Å²	94	95.2 Å²	95.2	48%	0.482	48%	0.477	S	S	.	.	H	α-helix	trans	-60.5	-39.3	173.1	-67.3	169.4	0	0	0	110.1	I35 L42 S43	I35-I39 HydrophobicContact CG2-CD1 3.68Å; I35-I39 HydrophobicContact CG2-CG1 4.32Å; I35-I39 WeakPolarHBondContact O-CB 3.45Å; I35-I39 WeakPolarHBondContact O-CG1 3.43Å; I35-I39 PolarHBondContact O-N 3.37Å; I39-L42 CarbonylContact O-C 3.54Å; I39-L42 PolarHBondContact O-N 3.1Å; I39-S43 WeakPolarHBondContact O-CB 3.5Å; I39-S43 PolarHBondContact O-N 3.3Å; I39-S43 PolarHBondContact O-OG 3.4Å
40	H	53.4	Low	51.6	Low	132 Å²	132	95.9 Å²	95.9	61%	0.611	46%	0.459	S	S	*	.	H	α-helix	trans	-67	-41.4	177.7	-163.7	-79.7	0	0	0	112.5	H36 H37 L38 S43 N44	H36-H40 VanDerWaalsContact O-CB 3.25Å; H36-H40 WeakPolarHBondContact O-CB 3.37Å; H36-H40 PolarHBondContact O-N 3.36Å; H37-H40 PolarHBondContact O-N 2.84Å; L38-H40 VanDerWaalsContact C-N 3.27Å; L38-H40 PolarHBondContact O-N 2.76Å; H40-S43 WeakPolarHBondContact CA-OG 3.43Å; H40-S43 PolarHBondContact O-N 3.09Å; H40-S43 PolarHBondContact O-OG 3.17Å; H40-S43 VanDerWaalsContact O-OG 3.09Å; H40-N44 PolarHBondContact O-N 2.81Å
41	I	52.5	Low	52.5	Low	24 Å²	24	92.4 Å²	92.4	12%	0.123	44%	0.443	C	S	.	.	H	α-helix	trans	-66.6	-41.6	173.8	-68.9	163.3	0	0	0	109.9	H37 L38 S43 N44 H75	H37-I41 WeakPolarHBondContact O-CB 2.73Å; H37-I41 WeakPolarHBondContact O-CD1 3.42Å; H37-I41 WeakPolarHBondContact O-CG1 3.21Å; H37-I41 PolarHBondContact O-N 2.82Å; L38-I41 PolarHBondContact O-N 3.37Å; I41-S43 PolarHBondContact O-N 2.6Å; I41-N44 WeakPolarHBondContact O-CB 3.47Å; I41-N44 PolarHBondContact O-N 2.78Å; I41-H75 HydrophobicContact CD1-CB 4.46Å
42	L	52.8	Low	53.1	Low	68 Å²	68	87 Å²	87	36%	0.356	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	11.9	171.8	-63.8	174.2	0	0	0	113.2	L38 I39 I48 I51	L38-L42 HydrophobicContact CD1-CD1 4.31Å; L38-L42 HydrophobicContact CD2-CD1 4.34Å; L38-L42 HydrophobicContact CG-CD1 3.82Å; L38-L42 HydrophobicContact CG-CG 4.37Å; L38-L42 WeakPolarHBondContact O-CB 3.21Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.41Å; I39-L42 CarbonylContact O-C 3.54Å; I39-L42 PolarHBondContact O-N 3.1Å; L42-I48 HydrophobicContact CB-CG1 4.47Å; L42-I48 WeakPolarHBondContact O-CD1 3.2Å; L42-I48 WeakPolarHBondContact O-CG1 3.49Å; L42-I51 HydrophobicContact CD2-CD1 4.49Å
43	S	50.1	Low	53.9	Low	66 Å²	66	82.2 Å²	82.2	46%	0.462	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-4.3	166.2	32.1	0	0	0	0	111.3	I39 H40 I41 T45	I39-S43 WeakPolarHBondContact O-CB 3.5Å; I39-S43 PolarHBondContact O-N 3.3Å; I39-S43 PolarHBondContact O-OG 3.4Å; H40-S43 WeakPolarHBondContact CA-OG 3.43Å; H40-S43 PolarHBondContact O-N 3.09Å; H40-S43 PolarHBondContact O-OG 3.17Å; H40-S43 VanDerWaalsContact O-OG 3.09Å; I41-S43 PolarHBondContact O-N 2.6Å; S43-T45 PolarHBondContact O-N 3.24Å; S43-T45 VanDerWaalsContact O-N 3.15Å
44	N	53.9	Low	54.7	Low	89 Å²	89	77.8 Å²	77.8	48%	0.476	40%	0.399	S	S	.	.	S	Bend	trans	-75.3	103.6	167.7	-146.9	-16.9	0	0	0	108.5	H40 I41 T46 L47 I48	H40-N44 PolarHBondContact O-N 2.81Å; I41-N44 WeakPolarHBondContact O-CB 3.47Å; I41-N44 PolarHBondContact O-N 2.78Å; N44-T46 VanDerWaalsContact C-N 3.3Å; N44-T46 PolarHBondContact O-N 3.18Å; N44-L47 HydrophobicContact CB-CB 4.43Å; N44-L47 PolarHBondContact O-N 2.94Å; N44-I48 PolarHBondContact O-N 3.46Å
45	T	51.9	Low	55.3	Low	93 Å²	93	77.8 Å²	77.8	57%	0.571	40%	0.398	S	S	*	.	H	α-helix	trans	-56.9	-38.1	-162.9	46.5	0	0	0	0	113.5	S43 H49	S43-T45 PolarHBondContact O-N 3.24Å; S43-T45 VanDerWaalsContact O-N 3.15Å; T45-H49 PolarHBondContact O-N 2.8Å; T45-H49 VanDerWaalsContact O-N 3.08Å; T45-H49 PolarHBondContact O-ND1 2.94Å
46	T	54	Low	55.5	Low	108 Å²	108	77.1 Å²	77.1	66%	0.663	40%	0.395	S	S	*	.	H	α-helix	trans	-67.9	-38	178.3	44.5	0	0	0	0	113	N44 H49 L50	N44-T46 VanDerWaalsContact C-N 3.3Å; N44-T46 PolarHBondContact O-N 3.18Å; T46-H49 PolarHBondContact O-N 3.25Å; T46-L50 WeakPolarHBondContact O-CB 3.48Å; T46-L50 PolarHBondContact O-N 3.32Å; T46-L50 VanDerWaalsContact O-N 3.08Å
47	L	52.1	Low	55.6	Low	68 Å²	68	73.8 Å²	73.8	36%	0.356	38%	0.381	S	S	.	.	H	α-helix	trans	-75.5	-37.2	-179.1	-124	150.9	0	0	0	111.2	N44 L50 I51	N44-L47 HydrophobicContact CB-CB 4.43Å; N44-L47 PolarHBondContact O-N 2.94Å; L47-L50 PolarHBondContact O-N 3.34Å; L47-I51 HydrophobicContact CD2-CD1 3.42Å; L47-I51 VanDerWaalsContact CD2-CD1 3.42Å; L47-I51 HydrophobicContact CD2-CG1 4.03Å; L47-I51 WeakPolarHBondContact O-CB 3.24Å; L47-I51 WeakPolarHBondContact O-CG1 3.3Å; L47-I51 PolarHBondContact O-N 3.45Å
48	I	58.7	Low	55.8	Low	36 Å²	36	74.9 Å²	74.9	19%	0.185	38%	0.383	C	S	.	.	H	α-helix	trans	-55.8	-51.1	167.6	-72.7	162.3	0	0	0	111.4	L42 N44 L50 I51 L52	L42-I48 HydrophobicContact CB-CG1 4.47Å; L42-I48 WeakPolarHBondContact O-CD1 3.2Å; L42-I48 WeakPolarHBondContact O-CG1 3.49Å; N44-I48 PolarHBondContact O-N 3.46Å; I48-L50 VanDerWaalsContact C-N 3.31Å; I48-L50 PolarHBondContact O-N 2.86Å; I48-I51 PolarHBondContact O-N 3.02Å; I48-L52 HydrophobicContact CG2-CD1 3.33Å; I48-L52 HydrophobicContact CG2-CG 4.05Å; I48-L52 WeakPolarHBondContact O-CB 3.14Å; I48-L52 VanDerWaalsContact O-CG 3.28Å; I48-L52 WeakPolarHBondContact O-CG 3.15Å; I48-L52 PolarHBondContact O-N 3.15Å
49	H	55.2	Low	55.7	Low	130 Å²	130	73.6 Å²	73.6	60%	0.602	38%	0.376	S	S	*	.	H	α-helix	trans	-66.5	-38.4	-175.2	-77.6	81.1	0	0	0	110.7	T45 T46 Y53	T45-H49 PolarHBondContact O-N 2.8Å; T45-H49 VanDerWaalsContact O-N 3.08Å; T45-H49 PolarHBondContact O-ND1 2.94Å; T46-H49 PolarHBondContact O-N 3.25Å; H49-Y53 WeakPolarHBondContact O-CB 3.25Å; H49-Y53 PolarHBondContact O-N 3.17Å
50	L	60.6	Low	55.5	Low	103 Å²	103	72.5 Å²	72.5	54%	0.539	37%	0.37	S	S	.	.	H	α-helix	trans	-66.5	-45.2	175.3	-170.3	73.5	0	0	0	111.8	T46 L47 I48 Y53 I54	T46-L50 WeakPolarHBondContact O-CB 3.48Å; T46-L50 PolarHBondContact O-N 3.32Å; T46-L50 VanDerWaalsContact O-N 3.08Å; L47-L50 PolarHBondContact O-N 3.34Å; I48-L50 VanDerWaalsContact C-N 3.31Å; I48-L50 PolarHBondContact O-N 2.86Å; L50-Y53 PolarHBondContact O-N 2.93Å; L50-I54 HydrophobicContact CD1-CD1 4.42Å; L50-I54 HydrophobicContact CG-CD1 4.04Å; L50-I54 VanDerWaalsContact O-CG1 3.28Å; L50-I54 WeakPolarHBondContact O-CG1 3.22Å; L50-I54 PolarHBondContact O-N 2.73Å
51	I	62.2	Low	55.5	Low	24 Å²	24	71.8 Å²	71.8	12%	0.123	37%	0.371	C	S	.	.	H	α-helix	trans	-66.8	-45.6	179.1	-72.9	173.2	0	0	0	110.5	L42 L47 I48 Y53 I54 I55 I73	L42-I51 HydrophobicContact CD2-CD1 4.49Å; L47-I51 HydrophobicContact CD2-CD1 3.42Å; L47-I51 VanDerWaalsContact CD2-CD1 3.42Å; L47-I51 HydrophobicContact CD2-CG1 4.03Å; L47-I51 WeakPolarHBondContact O-CB 3.24Å; L47-I51 WeakPolarHBondContact O-CG1 3.3Å; L47-I51 PolarHBondContact O-N 3.45Å; I48-I51 PolarHBondContact O-N 3.02Å; I51-Y53 VanDerWaalsContact C-N 3.31Å; I51-Y53 PolarHBondContact O-N 3.03Å; I51-I54 PolarHBondContact O-N 3.01Å; I51-I55 HydrophobicContact CG2-CD1 3.32Å; I51-I55 HydrophobicContact CG2-CG1 4.14Å; I51-I55 WeakPolarHBondContact O-CB 3.28Å; I51-I55 VanDerWaalsContact O-CG1 3.22Å; I51-I55 WeakPolarHBondContact O-CG1 3.5Å; I51-I55 PolarHBondContact O-N 3.35Å; I51-I73 HydrophobicContact CD1-CD1 3.88Å
52	L	59.8	Low	55.5	Low	80 Å²	80	76.7 Å²	76.7	42%	0.419	39%	0.393	S	S	.	.	H	α-helix	trans	-60.6	-41.1	173	-77.2	169.9	0	0	0	110.8	I48 I54 I55 I56 I57	I48-L52 HydrophobicContact CG2-CD1 3.33Å; I48-L52 HydrophobicContact CG2-CG 4.05Å; I48-L52 WeakPolarHBondContact O-CB 3.14Å; I48-L52 VanDerWaalsContact O-CG 3.28Å; I48-L52 WeakPolarHBondContact O-CG 3.15Å; I48-L52 PolarHBondContact O-N 3.15Å; L52-I54 VanDerWaalsContact C-N 3.35Å; L52-I54 PolarHBondContact O-N 3.24Å; L52-I55 PolarHBondContact O-N 3.09Å; L52-I56 HydrophobicContact CD2-CD1 3.37Å; L52-I56 HydrophobicContact CD2-CG1 4.14Å; L52-I56 WeakPolarHBondContact O-CA 3.15Å; L52-I56 WeakPolarHBondContact O-CB 3.5Å; L52-I56 PolarHBondContact O-N 2.87Å; L52-I57 PolarHBondContact O-N 3.07Å
53	Y	60.6	Low	55.3	Low	124 Å²	124	77.5 Å²	77.5	49%	0.486	39%	0.394	S	S	.	.	I	π-helix	trans	-61	-45.5	176.7	-175.4	-87.8	0	0	0	111.1	H49 L50 I51 I57 Y58	H49-Y53 WeakPolarHBondContact O-CB 3.25Å; H49-Y53 PolarHBondContact O-N 3.17Å; L50-Y53 PolarHBondContact O-N 2.93Å; I51-Y53 VanDerWaalsContact C-N 3.31Å; I51-Y53 PolarHBondContact O-N 3.03Å; Y53-I57 HydrophobicContact CD2-CB 3.88Å; Y53-I57 HydrophobicContact CD2-CD1 3.79Å; Y53-I57 HydrophobicContact CD2-CG1 4.37Å; Y53-I57 HydrophobicContact CD2-CG2 3.86Å; Y53-I57 HydrophobicContact CE2-CB 4.16Å; Y53-I57 HydrophobicContact CE2-CD1 4.43Å; Y53-I57 HydrophobicContact CE2-CG2 3.63Å; Y53-I57 HydrophobicContact CG-CB 4.28Å; Y53-I57 CarbonylContact O-C 3.56Å; Y53-I57 WeakPolarHBondContact O-CA 3.19Å; Y53-I57 WeakPolarHBondContact O-CB 3.14Å; Y53-I57 PolarHBondContact O-N 3.23Å; Y53-I57 VanDerWaalsContact O-N 3.08Å; Y53-Y58 PolarHBondContact O-N 3.36Å
54	I	61.3	Low	55.2	Low	65 Å²	65	80 Å²	80	33%	0.333	41%	0.407	S	S	.	.	I	π-helix	trans	-72.9	-35.3	-179	-66.9	168.1	0	0	0	112.2	L50 I51 L52 P59 F71	L50-I54 HydrophobicContact CD1-CD1 4.42Å; L50-I54 HydrophobicContact CG-CD1 4.04Å; L50-I54 VanDerWaalsContact O-CG1 3.28Å; L50-I54 WeakPolarHBondContact O-CG1 3.22Å; L50-I54 PolarHBondContact O-N 2.73Å; I51-I54 PolarHBondContact O-N 3.01Å; L52-I54 VanDerWaalsContact C-N 3.35Å; L52-I54 PolarHBondContact O-N 3.24Å; I54-P59 VanDerWaalsContact O-CD 3.22Å; I54-P59 WeakPolarHBondContact O-CD 3.35Å; I54-F71 HydrophobicContact CG2-CD1 4.18Å; I54-F71 HydrophobicContact CG2-CE1 3.41Å; I54-F71 VanDerWaalsContact CG2-CE1 3.41Å; I54-F71 HydrophobicContact CG2-CE2 4.41Å; I54-F71 HydrophobicContact CG2-CZ 3.54Å
55	I	60.1	Low	55.1	Low	12 Å²	12	82.6 Å²	82.6	6%	0.062	42%	0.416	C	S	.	.	I	π-helix	trans	-84.7	-35.7	-176.1	-70.6	177.9	0	0	0	112.6	I51 L52 P59 F71 I97 I99	I51-I55 HydrophobicContact CG2-CD1 3.32Å; I51-I55 HydrophobicContact CG2-CG1 4.14Å; I51-I55 WeakPolarHBondContact O-CB 3.28Å; I51-I55 VanDerWaalsContact O-CG1 3.22Å; I51-I55 WeakPolarHBondContact O-CG1 3.5Å; I51-I55 PolarHBondContact O-N 3.35Å; L52-I55 PolarHBondContact O-N 3.09Å; I55-P59 WeakPolarHBondContact O-CG 3.18Å; I55-F71 HydrophobicContact CG1-CD2 4Å; I55-F71 HydrophobicContact CG1-CE2 4.01Å; I55-I97 HydrophobicContact CD1-CG2 4.4Å; I55-I99 HydrophobicContact CB-CD1 4.01Å; I55-I99 HydrophobicContact CD1-CD1 3.86Å; I55-I99 HydrophobicContact CG1-CD1 3.65Å; I55-I99 HydrophobicContact CG2-CD1 3.37Å; I55-I99 HydrophobicContact CG2-CG1 3.62Å; I55-I99 HydrophobicContact CG2-CG2 4.41Å
56	I	55.1	Low	55.1	Low	46 Å²	46	82.3 Å²	82.3	24%	0.236	42%	0.417	C	S	.	.	I	π-helix	trans	-107.7	-60.2	-172.8	-58.8	-170.7	0	0	0	109.7	F20 L52 P59 L60	F20-I56 HydrophobicContact CD1-CG1 4.33Å; F20-I56 HydrophobicContact CD2-CD1 4.14Å; F20-I56 HydrophobicContact CD2-CG1 4.29Å; F20-I56 HydrophobicContact CE1-CB 4.3Å; F20-I56 HydrophobicContact CE1-CG1 3.98Å; F20-I56 HydrophobicContact CE1-CG2 4.41Å; F20-I56 HydrophobicContact CE2-CB 4.36Å; F20-I56 HydrophobicContact CE2-CD1 3.95Å; F20-I56 HydrophobicContact CE2-CG1 3.94Å; F20-I56 HydrophobicContact CE2-CG2 3.84Å; F20-I56 HydrophobicContact CG-CG1 4.48Å; F20-I56 HydrophobicContact CZ-CB 3.91Å; F20-I56 HydrophobicContact CZ-CD1 4.31Å; F20-I56 HydrophobicContact CZ-CG1 3.78Å; F20-I56 HydrophobicContact CZ-CG2 3.55Å; L52-I56 HydrophobicContact CD2-CD1 3.37Å; L52-I56 HydrophobicContact CD2-CG1 4.14Å; L52-I56 WeakPolarHBondContact O-CA 3.15Å; L52-I56 WeakPolarHBondContact O-CB 3.5Å; L52-I56 PolarHBondContact O-N 2.87Å; I56-P59 WeakPolarHBondContact O-CD 2.77Å; I56-L60 HydrophobicContact CG2-CD1 3.84Å; I56-L60 WeakPolarHBondContact O-CB 3.22Å; I56-L60 VanDerWaalsContact O-CD1 3.26Å; I56-L60 WeakPolarHBondContact O-CD1 2.92Å; I56-L60 PolarHBondContact O-N 3.08Å; I56-L60 VanDerWaalsContact O-N 3.07Å
57	I	52.3	Low	54.6	Low	74 Å²	74	77.9 Å²	77.9	38%	0.379	39%	0.392	S	S	.	.	I	π-helix	trans	-74.1	-44	-167.1	-62.3	179.3	0	0	0	111.8	L52 Y53 L60 N61	L52-I57 PolarHBondContact O-N 3.07Å; Y53-I57 HydrophobicContact CD2-CB 3.88Å; Y53-I57 HydrophobicContact CD2-CD1 3.79Å; Y53-I57 HydrophobicContact CD2-CG1 4.37Å; Y53-I57 HydrophobicContact CD2-CG2 3.86Å; Y53-I57 HydrophobicContact CE2-CB 4.16Å; Y53-I57 HydrophobicContact CE2-CD1 4.43Å; Y53-I57 HydrophobicContact CE2-CG2 3.63Å; Y53-I57 HydrophobicContact CG-CB 4.28Å; Y53-I57 CarbonylContact O-C 3.56Å; Y53-I57 WeakPolarHBondContact O-CA 3.19Å; Y53-I57 WeakPolarHBondContact O-CB 3.14Å; Y53-I57 PolarHBondContact O-N 3.23Å; Y53-I57 VanDerWaalsContact O-N 3.08Å; I57-L60 PolarHBondContact O-N 3.08Å; I57-N61 WeakPolarHBondContact CG2-ND2 3.42Å; I57-N61 WeakPolarHBondContact O-CB 3.2Å; I57-N61 PolarHBondContact O-N 3.42Å; I57-N61 VanDerWaalsContact O-N 3.08Å; I57-N61 PolarHBondContact O-ND2 3.36Å
58	Y	56.7	Low	54.5	Low	109 Å²	109	78.9 Å²	78.9	43%	0.427	40%	0.401	S	S	.	.	H	α-helix	trans	-57.4	-51.9	178.5	-178.6	-95.8	0	0	0	111.2	Y53 N61 H62	Y53-Y58 PolarHBondContact O-N 3.36Å; Y58-N61 PolarHBondContact O-N 2.78Å; Y58-H62 AromaticContact CE2-CD2 3.8Å; Y58-H62 WeakPolarHBondContact O-CB 2.99Å; Y58-H62 PolarHBondContact O-N 3.46Å; Y58-H62 VanDerWaalsContact O-N 3.09Å
59	P	51.1	Low	53.9	Low	0 Å²	0	78.6 Å²	78.6	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-73	-31.2	179.2	21.1	-29.3	0	0	0	115.4	I54 I55 I56 N61 H62 F63 L69 I101	I54-P59 VanDerWaalsContact O-CD 3.22Å; I54-P59 WeakPolarHBondContact O-CD 3.35Å; I55-P59 WeakPolarHBondContact O-CG 3.18Å; I56-P59 WeakPolarHBondContact O-CD 2.77Å; P59-N61 PolarHBondContact O-N 3.4Å; P59-H62 PolarHBondContact O-N 3.26Å; P59-F63 HydrophobicContact CB-CD2 3.5Å; P59-F63 HydrophobicContact CB-CE2 3.95Å; P59-F63 PolarHBondContact O-N 3.45Å; P59-L69 HydrophobicContact CB-CD1 3.53Å; P59-L69 HydrophobicContact CG-CD1 3.62Å; P59-I101 HydrophobicContact CB-CD1 3.18Å; P59-I101 HydrophobicContact CG-CD1 3.26Å
60	L	51.6	Low	53.4	Low	71 Å²	71	75.5 Å²	75.5	37%	0.372	40%	0.397	S	S	.	.	H	α-helix	trans	-59.9	-36.2	172.6	-107.9	114.1	0	0	0	112	T18 F20 I56 I57	T18-L60 HydrophobicContact CG2-CD1 4.08Å; F20-L60 HydrophobicContact CZ-CD1 3.77Å; I56-L60 HydrophobicContact CG2-CD1 3.84Å; I56-L60 WeakPolarHBondContact O-CB 3.22Å; I56-L60 VanDerWaalsContact O-CD1 3.26Å; I56-L60 WeakPolarHBondContact O-CD1 2.92Å; I56-L60 PolarHBondContact O-N 3.08Å; I56-L60 VanDerWaalsContact O-N 3.07Å; I57-L60 PolarHBondContact O-N 3.08Å
61	N	52.5	Low	52.8	Low	118 Å²	118	73 Å²	73	63%	0.631	38%	0.381	S	S	*	.	H	α-helix	trans	-85	-20.7	-178.5	-71.2	-21.6	0	0	0	113.6	I57 Y58 P59	I57-N61 WeakPolarHBondContact CG2-ND2 3.42Å; I57-N61 WeakPolarHBondContact O-CB 3.2Å; I57-N61 PolarHBondContact O-N 3.42Å; I57-N61 VanDerWaalsContact O-N 3.08Å; I57-N61 PolarHBondContact O-ND2 3.36Å; Y58-N61 PolarHBondContact O-N 2.78Å; P59-N61 PolarHBondContact O-N 3.4Å
62	H	52.7	Low	52	Low	126 Å²	126	75.5 Å²	75.5	58%	0.583	40%	0.398	S	S	*	.	H	α-helix	trans	-113.6	-19.6	-173.9	-92.3	-79.4	0	0	0	115.8	Y58 P59	Y58-H62 AromaticContact CE2-CD2 3.8Å; Y58-H62 WeakPolarHBondContact O-CB 2.99Å; Y58-H62 PolarHBondContact O-N 3.46Å; Y58-H62 VanDerWaalsContact O-N 3.09Å; P59-H62 PolarHBondContact O-N 3.26Å
63	F	49	Very low	51.4	Low	85 Å²	85	73.8 Å²	73.8	37%	0.373	39%	0.389	S	S	.	.			trans	-113.7	111.8	-179	-61.1	-75	0	0	0	111.5	P59 H65 A67 L69	P59-F63 HydrophobicContact CB-CD2 3.5Å; P59-F63 HydrophobicContact CB-CE2 3.95Å; P59-F63 PolarHBondContact O-N 3.45Å; F63-H65 VanDerWaalsContact C-N 3.32Å; F63-A67 HydrophobicContact CB-CB 4.09Å; F63-A67 HydrophobicContact CD1-CB 3.81Å; F63-A67 HydrophobicContact CD2-CB 4.08Å; F63-A67 HydrophobicContact CE1-CB 4.27Å; F63-A67 HydrophobicContact CG-CB 3.72Å; F63-L69 HydrophobicContact CE2-CD1 4.05Å
64	T	48	Very low	50.5	Low	118 Å²	118	71.4 Å²	71.4	72%	0.724	38%	0.384	S	S	*	.	S	Bend	trans	-85.4	-5.8	171.3	52.3	0	0	0	0	113
65	H	52.2	Low	49.5	Very low	145 Å²	145	71.3 Å²	71.3	67%	0.671	38%	0.382	S	S	*	.	S	Bend	trans	-129.1	164.3	-178.9	-64	-58.6	0	0	0	110.8	F63 A67	F63-H65 VanDerWaalsContact C-N 3.32Å; H65-A67 PolarHBondContact O-N 3.47Å
66	S	52.1	Low	48.3	Very low	86 Å²	86	78.7 Å²	78.7	60%	0.601	41%	0.41	S	S	*	.			trans	-57	125.4	179.7	-40.2	0	0	0	0	110.8	I101	S66-I101 CarbonylContact C-O 3.49Å; S66-I101 WeakPolarHBondContact CA-O 3.43Å
67	A	43.6	Very low	47.3	Very low	16 Å²	16	78.5 Å²	78.5	13%	0.132	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.8	-177.5	0	0	0	0	0	109.9	F63 H65 I101	F63-A67 HydrophobicContact CB-CB 4.09Å; F63-A67 HydrophobicContact CD1-CB 3.81Å; F63-A67 HydrophobicContact CD2-CB 4.08Å; F63-A67 HydrophobicContact CE1-CB 4.27Å; F63-A67 HydrophobicContact CG-CB 3.72Å; H65-A67 PolarHBondContact O-N 3.47Å; A67-I101 PolarHBondContact N-O 3.08Å; A67-I101 WeakPolarHBondContact O-CB 3.44Å; A67-I101 PolarHBondContact O-N 2.76Å
68	T	48.8	Very low	46.3	Very low	88 Å²	88	79.9 Å²	79.9	54%	0.54	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.6	169.9	-54.8	0	0	0	0	107.9	V98 Y100	T68-V98 HydrophobicContact CG2-CG1 3.69Å; T68-Y100 HydrophobicContact CG2-CD1 4.02Å; T68-Y100 HydrophobicContact CG2-CE1 3.71Å; T68-Y100 WeakPolarHBondContact OG1-CD1 3.17Å
69	L	46.9	Very low	45.1	Very low	30 Å²	30	79.1 Å²	79.1	16%	0.157	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.4	173.4	-87.4	164.7	0	0	0	108.9	P59 F63 F71 I99 I101	P59-L69 HydrophobicContact CB-CD1 3.53Å; P59-L69 HydrophobicContact CG-CD1 3.62Å; F63-L69 HydrophobicContact CE2-CD1 4.05Å; L69-F71 HydrophobicContact CB-CD2 4.21Å; L69-F71 HydrophobicContact CB-CE2 3.55Å; L69-F71 HydrophobicContact CB-CZ 4.12Å; L69-F71 HydrophobicContact CD1-CE2 4.04Å; L69-F71 HydrophobicContact CD1-CZ 4.05Å; L69-F71 HydrophobicContact CD2-CE1 4.41Å; L69-F71 HydrophobicContact CD2-CE2 4.05Å; L69-F71 HydrophobicContact CD2-CZ 3.7Å; L69-F71 HydrophobicContact CG-CE2 4.1Å; L69-F71 HydrophobicContact CG-CZ 4.18Å; L69-I99 PolarHBondContact N-O 3.46Å; L69-I99 PolarHBondContact O-N 2.75Å; L69-I101 HydrophobicContact CD1-CD1 4.05Å
70	A	45.2	Very low	44.1	Very low	65 Å²	65	84.4 Å²	84.4	54%	0.537	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.6	170.9	0	0	0	0	0	108.6	V98	A70-V98 HydrophobicContact CB-CG2 4.39Å
71	F	46.2	Very low	42.8	Very low	51 Å²	51	89.8 Å²	89.8	22%	0.224	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.1	172.5	-62.7	-81.8	0	0	0	109.1	I54 I55 L69 I97 I99	I54-F71 HydrophobicContact CG2-CD1 4.18Å; I54-F71 HydrophobicContact CG2-CE1 3.41Å; I54-F71 VanDerWaalsContact CG2-CE1 3.41Å; I54-F71 HydrophobicContact CG2-CE2 4.41Å; I54-F71 HydrophobicContact CG2-CZ 3.54Å; I55-F71 HydrophobicContact CG1-CD2 4Å; I55-F71 HydrophobicContact CG1-CE2 4.01Å; L69-F71 HydrophobicContact CB-CD2 4.21Å; L69-F71 HydrophobicContact CB-CE2 3.55Å; L69-F71 HydrophobicContact CB-CZ 4.12Å; L69-F71 HydrophobicContact CD1-CE2 4.04Å; L69-F71 HydrophobicContact CD1-CZ 4.05Å; L69-F71 HydrophobicContact CD2-CE1 4.41Å; L69-F71 HydrophobicContact CD2-CE2 4.05Å; L69-F71 HydrophobicContact CD2-CZ 3.7Å; L69-F71 HydrophobicContact CG-CE2 4.1Å; L69-F71 HydrophobicContact CG-CZ 4.18Å; F71-I97 PolarHBondContact N-O 2.82Å; F71-I97 PolarHBondContact O-N 2.81Å; F71-I99 HydrophobicContact CD2-CD1 3.61Å; F71-I99 HydrophobicContact CE2-CD1 3.92Å
72	T	45.9	Very low	41.5	Very low	76 Å²	76	89.6 Å²	89.6	47%	0.466	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	111.1	171.7	-55.6	0	0	0	0	108.2	I74 H94 Y95	T72-I74 HydrophobicContact CG2-CD1 4.5Å; T72-I74 HydrophobicContact CG2-CG1 4Å; T72-H94 WeakPolarHBondContact CG2-CE1 3.28Å; T72-H94 WeakPolarHBondContact CG2-NE2 3.18Å; T72-Y95 CarbonylContact C-O 3.1Å; T72-Y95 WeakPolarHBondContact CA-O 3.47Å
73	I	47.9	Very low	40.2	Very low	45 Å²	45	91.1 Å²	91.1	23%	0.231	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	112.8	172.3	-57.6	179.3	0	0	0	107	I51 Y95 I97	I51-I73 HydrophobicContact CD1-CD1 3.88Å; I73-Y95 PolarHBondContact N-O 3.41Å; I73-Y95 PolarHBondContact O-N 3.45Å; I73-I97 HydrophobicContact CD1-CD1 3.7Å; I73-I97 HydrophobicContact CG1-CD1 4.48Å
74	I	40.9	Very low	39.2	Very low	74 Å²	74	93.5 Å²	93.5	38%	0.379	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	109.2	173.1	-45.2	-169.9	0	0	0	106.9	T72 Y76 L92 H94	T72-I74 HydrophobicContact CG2-CD1 4.5Å; T72-I74 HydrophobicContact CG2-CG1 4Å; I74-Y76 HydrophobicContact CB-CE2 4.28Å; I74-Y76 HydrophobicContact CG2-CD2 4.1Å; I74-Y76 HydrophobicContact CG2-CE2 3.48Å; I74-Y76 VanDerWaalsContact CG2-CE2 3.48Å; I74-L92 HydrophobicContact CG2-CD1 4.23Å; I74-L92 HydrophobicContact CG2-CG 4.26Å; I74-H94 WeakPolarHBondContact CD1-NE2 3.25Å; I74-H94 VanDerWaalsContact CG1-CD2 3.43Å; I74-H94 WeakPolarHBondContact CG1-CD2 3.4Å; I74-H94 WeakPolarHBondContact CG1-NE2 3.48Å
75	H	39.9	Very low	38.1	Very low	62 Å²	62	95.1 Å²	95.1	29%	0.287	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	117.3	178	-167.3	-107.2	0	0	0	109.9	I41 T77 L93 Y95	I41-H75 HydrophobicContact CD1-CB 4.46Å; H75-T77 VanDerWaalsContact CE1-CG2 3.44Å; H75-T77 WeakPolarHBondContact CE1-CG2 3.12Å; H75-T77 WeakPolarHBondContact ND1-CG2 3.44Å; H75-L93 PolarHBondContact N-O 2.79Å; H75-Y95 HydrophobicContact CB-CE2 4.47Å
76	Y	35.4	Very low	37	Very low	168 Å²	168	93 Å²	93	66%	0.659	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	104.6	174.3	-69	-89.5	0	0	0	109	I74 L92	I74-Y76 HydrophobicContact CB-CE2 4.28Å; I74-Y76 HydrophobicContact CG2-CD2 4.1Å; I74-Y76 HydrophobicContact CG2-CE2 3.48Å; I74-Y76 VanDerWaalsContact CG2-CE2 3.48Å; Y76-L92 HydrophobicContact CD1-CD1 4.15Å; Y76-L92 HydrophobicContact CE1-CD1 3.37Å
77	T	35	Very low	36.1	Very low	41 Å²	41	96.7 Å²	96.7	25%	0.252	54%	0.537	S	S	.	.			trans	-91	115.3	170.7	57.4	0	0	0	0	109.7	H75	H75-T77 VanDerWaalsContact CE1-CG2 3.44Å; H75-T77 WeakPolarHBondContact CE1-CG2 3.12Å; H75-T77 WeakPolarHBondContact ND1-CG2 3.44Å
78	T	30.3	Very low	35.7	Very low	104 Å²	104	101 Å²	101	64%	0.638	56%	0.562	S	S	*	*			trans	-72.3	134.5	160.1	43.6	0	0	0	0	108.9	T80	T78-T80 PolarHBondContact O-N 2.82Å
79	P	31.4	Very low	35.2	Very low	92 Å²	92	104.3 Å²	104.3	60%	0.597	57%	0.571	S	S	*	*			trans	-74.4	93.2	-179	30.1	-31	0	0	0	108.8	T88	P79-T88 HydrophobicContact CB-CG2 4.47Å; P79-T88 HydrophobicContact CG-CG2 3.94Å
80	T	29.8	Very low	34.8	Very low	112 Å²	112	110.3 Å²	110.3	69%	0.687	60%	0.598	S	S	*	*			trans	-101.2	101.3	169.7	52.6	0	0	0	0	109	T78	T78-T80 PolarHBondContact O-N 2.82Å
81	H	26.2	Very low	34.5	Very low	183 Å²	183	111.9 Å²	111.9	85%	0.847	60%	0.597	S	S	*	*	S	Bend	trans	62.1	84.4	158.5	-66.1	-85.2	0	0	0	118.3
82	S	24.8	Very low	34.2	Very low	114 Å²	114	113.9 Å²	113.9	80%	0.797	61%	0.61	S	S	*	*				-170.3	123.3	126.9	35.8	0	0	0	0	111.8
83	L	25.8	Very low	34.1	Very low	158 Å²	158	110.9 Å²	110.9	83%	0.827	59%	0.591	S	S	*	*			trans	60.9	94.4	158.7	-75.4	142.7	0	0	0	118.7	L85	L83-L85 PolarHBondContact O-N 2.7Å
84	V	27.1	Very low	33.8	Very low	136 Å²	136	112.7 Å²	112.7	82%	0.824	60%	0.598	S	S	*	*			trans	36.9	83	132.3	-168.8	0	0	0	0	115.6
85	L	25.8	Very low	34.1	Very low	151 Å²	151	109.4 Å²	109.4	79%	0.791	58%	0.581	S	S	*	*			trans	-139.5	120.9	148.2	-88	162.4	0	0	0	107.1	L83	L83-L85 PolarHBondContact O-N 2.7Å
86	P	27.4	Very low	34.3	Very low	102 Å²	102	108.7 Å²	108.7	66%	0.662	58%	0.581	S	S	*	*	S	Bend	trans	-70.2	138.6	175.4	31.5	-30.3	0	0	0	108.1
87	H	33.4	Very low	35	Very low	162 Å²	162	101.1 Å²	101.1	75%	0.75	55%	0.552	S	S	*	*			trans	89.3	71.1	-173.5	-44.6	-33	0	0	0	114.3	H89	H87-H89 VanDerWaalsContact C-N 3.28Å; H87-H89 PolarHBondContact O-N 3.08Å
88	T	36.3	Very low	35.5	Very low	107 Å²	107	100.7 Å²	100.7	66%	0.656	55%	0.549	S	S	*	.			trans	-63.6	86.8	164.8	46.6	0	0	0	0	110.4	P79 H90	P79-T88 HydrophobicContact CB-CG2 4.47Å; P79-T88 HydrophobicContact CG-CG2 3.94Å; T88-H90 PolarHBondContact O-N 3.05Å
89	H	37.7	Very low	36.2	Very low	157 Å²	157	95.8 Å²	95.8	73%	0.727	52%	0.519	S	S	*	.			trans	-63.7	125.4	157.1	-72.7	-81.7	0	0	0	107.9	H87 L91	H87-H89 VanDerWaalsContact C-N 3.28Å; H87-H89 PolarHBondContact O-N 3.08Å; H89-L91 PolarHBondContact O-N 2.87Å
90	H	38.9	Very low	36.8	Very low	157 Å²	157	95 Å²	95	73%	0.727	50%	0.504	S	S	*	.			trans	-54.6	108	162.3	-70.6	-52	0	0	0	107.9	T88 L92	T88-H90 PolarHBondContact O-N 3.05Å; H90-L92 VanDerWaalsContact C-N 3.34Å; H90-L92 PolarHBondContact O-N 3.28Å
91	L	38.5	Very low	37.6	Very low	97 Å²	97	90.2 Å²	90.2	51%	0.508	48%	0.475	S	S	.	.			trans	-76.3	93.5	177.4	-156.8	89.9	0	0	0	107.2	H89 L93	H89-L91 PolarHBondContact O-N 2.87Å; L91-L93 HydrophobicContact CD2-CD1 3.55Å; L91-L93 HydrophobicContact CD2-CG 3.91Å; L91-L93 HydrophobicContact CG-CG 4.46Å; L91-L93 PolarHBondContact O-N 3.41Å; L91-L93 VanDerWaalsContact O-N 3.12Å
92	L	40.1	Very low	38.4	Very low	94 Å²	94	84.1 Å²	84.1	49%	0.492	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	93.8	173.5	-164.3	113	0	0	0	108.2	I74 Y76 H90 H94	I74-L92 HydrophobicContact CG2-CD1 4.23Å; I74-L92 HydrophobicContact CG2-CG 4.26Å; Y76-L92 HydrophobicContact CD1-CD1 4.15Å; Y76-L92 HydrophobicContact CE1-CD1 3.37Å; H90-L92 VanDerWaalsContact C-N 3.34Å; H90-L92 PolarHBondContact O-N 3.28Å; L92-H94 HydrophobicContact CD2-CB 4.4Å; L92-H94 PolarHBondContact O-N 2.68Å
93	L	42.7	Very low	39	Very low	13 Å²	13	81 Å²	81	7%	0.068	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	106.1	173.2	-87.3	155.4	0	0	0	109.1	N34 H75 L91 Y95	N34-L93 HydrophobicContact CB-CD2 4.17Å; N34-L93 VanDerWaalsContact CG-CD2 3.44Å; N34-L93 WeakPolarHBondContact ND2-CD2 3.26Å; N34-L93 WeakPolarHBondContact OD1-CD2 3.38Å; H75-L93 PolarHBondContact N-O 2.79Å; L91-L93 HydrophobicContact CD2-CD1 3.55Å; L91-L93 HydrophobicContact CD2-CG 3.91Å; L91-L93 HydrophobicContact CG-CG 4.46Å; L91-L93 PolarHBondContact O-N 3.41Å; L91-L93 VanDerWaalsContact O-N 3.12Å; L93-Y95 HydrophobicContact CB-CD2 4.41Å; L93-Y95 HydrophobicContact CB-CE2 3.64Å; L93-Y95 HydrophobicContact CD2-CE1 4.05Å; L93-Y95 HydrophobicContact CD2-CE2 4.44Å; L93-Y95 WeakPolarHBondContact CD2-OH 3.17Å; L93-Y95 HydrophobicContact CG-CE2 4.47Å
94	H	41.8	Very low	39.7	Very low	82 Å²	82	77.1 Å²	77.1	38%	0.38	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	102.4	179.8	-145.9	-126.9	0	0	0	108.8	T72 I74 L92	T72-H94 WeakPolarHBondContact CG2-CE1 3.28Å; T72-H94 WeakPolarHBondContact CG2-NE2 3.18Å; I74-H94 WeakPolarHBondContact CD1-NE2 3.25Å; I74-H94 VanDerWaalsContact CG1-CD2 3.43Å; I74-H94 WeakPolarHBondContact CG1-CD2 3.4Å; I74-H94 WeakPolarHBondContact CG1-NE2 3.48Å; L92-H94 HydrophobicContact CD2-CB 4.4Å; L92-H94 PolarHBondContact O-N 2.68Å
95	Y	47.5	Very low	40.1	Very low	5 Å²	5	78.9 Å²	78.9	2%	0.02	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.8	175.8	-54.2	-77.5	0	0	0	108.7	L38 T72 I73 H75 L93	L38-Y95 HydrophobicContact CD1-CD1 4.21Å; L38-Y95 HydrophobicContact CD1-CE1 4.26Å; L38-Y95 HydrophobicContact CD1-CG 4.31Å; T72-Y95 CarbonylContact C-O 3.1Å; T72-Y95 WeakPolarHBondContact CA-O 3.47Å; I73-Y95 PolarHBondContact N-O 3.41Å; I73-Y95 PolarHBondContact O-N 3.45Å; H75-Y95 HydrophobicContact CB-CE2 4.47Å; L93-Y95 HydrophobicContact CB-CD2 4.41Å; L93-Y95 HydrophobicContact CB-CE2 3.64Å; L93-Y95 HydrophobicContact CD2-CE1 4.05Å; L93-Y95 HydrophobicContact CD2-CE2 4.44Å; L93-Y95 WeakPolarHBondContact CD2-OH 3.17Å; L93-Y95 HydrophobicContact CG-CE2 4.47Å
96	T	43.7	Very low	40.7	Very low	48 Å²	48	77.7 Å²	77.7	29%	0.294	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.1	165.7	-54.1	0	0	0	0	107.2	V98	T96-V98 HydrophobicContact CG2-CG2 4.04Å
97	I	50.6	Low	41.1	Very low	9 Å²	9	76.3 Å²	76.3	5%	0.046	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.1	173	-63.4	173.9	0	0	0	106.1	I22 I55 F71 I73 I99	I22-I97 HydrophobicContact CG1-CG2 4.22Å; I22-I97 HydrophobicContact CG2-CG1 4.47Å; I22-I97 HydrophobicContact CG2-CG2 3.99Å; I55-I97 HydrophobicContact CD1-CG2 4.4Å; F71-I97 PolarHBondContact N-O 2.82Å; F71-I97 PolarHBondContact O-N 2.81Å; I73-I97 HydrophobicContact CD1-CD1 3.7Å; I73-I97 HydrophobicContact CG1-CD1 4.48Å; I97-I99 HydrophobicContact CG2-CD1 3.59Å; I97-I99 HydrophobicContact CG2-CG1 3.86Å
98	V	45.6	Very low	41.4	Very low	32 Å²	32	73.4 Å²	73.4	19%	0.194	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	119	171.5	-174.6	0	0	0	0	107.3	T68 A70 T96 Y100	T68-V98 HydrophobicContact CG2-CG1 3.69Å; A70-V98 HydrophobicContact CB-CG2 4.39Å; T96-V98 HydrophobicContact CG2-CG2 4.04Å; V98-Y100 HydrophobicContact CB-CE2 4.47Å; V98-Y100 HydrophobicContact CG1-CD2 4.22Å; V98-Y100 HydrophobicContact CG1-CE2 3.6Å
99	I	46	Very low	41.4	Very low	0 Å²	0	75 Å²	75	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.5	173.6	-59.4	115.3	0	0	0	108.6	F20 I55 L69 F71 I97 I101	F20-I99 HydrophobicContact CD1-CG2 3.63Å; F20-I99 HydrophobicContact CE1-CG2 4.4Å; I55-I99 HydrophobicContact CB-CD1 4.01Å; I55-I99 HydrophobicContact CD1-CD1 3.86Å; I55-I99 HydrophobicContact CG1-CD1 3.65Å; I55-I99 HydrophobicContact CG2-CD1 3.37Å; I55-I99 HydrophobicContact CG2-CG1 3.62Å; I55-I99 HydrophobicContact CG2-CG2 4.41Å; L69-I99 PolarHBondContact N-O 3.46Å; L69-I99 PolarHBondContact O-N 2.75Å; F71-I99 HydrophobicContact CD2-CD1 3.61Å; F71-I99 HydrophobicContact CE2-CD1 3.92Å; I97-I99 HydrophobicContact CG2-CD1 3.59Å; I97-I99 HydrophobicContact CG2-CG1 3.86Å; I99-I101 HydrophobicContact CG2-CD1 4.18Å; I99-I101 HydrophobicContact CG2-CG1 3.71Å
100	Y	44	Very low	41.4	Very low	75 Å²	75	70.9 Å²	70.9	29%	0.294	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.2	167.8	-66.5	-87.3	0	0	0	108.7	T68 V98 Y117	T68-Y100 HydrophobicContact CG2-CD1 4.02Å; T68-Y100 HydrophobicContact CG2-CE1 3.71Å; T68-Y100 WeakPolarHBondContact OG1-CD1 3.17Å; V98-Y100 HydrophobicContact CB-CE2 4.47Å; V98-Y100 HydrophobicContact CG1-CD2 4.22Å; V98-Y100 HydrophobicContact CG1-CE2 3.6Å; Y100-Y117 VanDerWaalsContact CD2-OH 3.3Å; Y100-Y117 WeakPolarHBondContact CD2-OH 3.48Å; Y100-Y117 VanDerWaalsContact CE2-OH 3.24Å; Y100-Y117 WeakPolarHBondContact CE2-OH 3.36Å
101	I	44.8	Very low	41.2	Very low	12 Å²	12	68.4 Å²	68.4	6%	0.062	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.3	178.1	-54.6	-179.2	0	0	0	106.4	T18 F20 P59 S66 A67 L69 I99	T18-I101 HydrophobicContact CG2-CG2 4.33Å; F20-I101 HydrophobicContact CE1-CD1 4.38Å; F20-I101 HydrophobicContact CE1-CG1 4.37Å; P59-I101 HydrophobicContact CB-CD1 3.18Å; P59-I101 HydrophobicContact CG-CD1 3.26Å; S66-I101 CarbonylContact C-O 3.49Å; S66-I101 WeakPolarHBondContact CA-O 3.43Å; A67-I101 PolarHBondContact N-O 3.08Å; A67-I101 WeakPolarHBondContact O-CB 3.44Å; A67-I101 PolarHBondContact O-N 2.76Å; L69-I101 HydrophobicContact CD1-CD1 4.05Å; I99-I101 HydrophobicContact CG2-CD1 4.18Å; I99-I101 HydrophobicContact CG2-CG1 3.71Å
102	T	44	Very low	40.9	Very low	56 Å²	56	71.8 Å²	71.8	34%	0.344	38%	0.384	S	S	.	.			trans	-118.2	110.7	177.2	-4.1	0	0	0	0	107.8	V104	T102-V104 PolarHBondContact O-N 3.43Å
103	P	36.6	Very low	40.6	Very low	47 Å²	47	72 Å²	72	31%	0.305	38%	0.381	S	S	.	.			trans	-66.1	132.1	175.7	23.5	-28.6	0	0	0	109.7	H105	P103-H105 PolarHBondContact O-N 2.85Å
104	V	41.6	Very low	40.1	Very low	77 Å²	77	76.6 Å²	76.6	47%	0.467	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	40.6	-172.3	-163.9	0	0	0	0	112.1	S17 T102 A107	S17-V104 WeakPolarHBondContact O-CG2 3.41Å; T102-V104 PolarHBondContact O-N 3.43Å; V104-A107 HydrophobicContact CG1-CB 4.17Å
105	H	35.8	Very low	39.5	Very low	174 Å²	174	75.4 Å²	75.4	81%	0.806	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-6	164.3	-99.6	-63.5	0	0	0	112.9	P103	P103-H105 PolarHBondContact O-N 2.85Å
106	H	37.3	Very low	38.7	Very low	125 Å²	125	79.3 Å²	79.3	58%	0.579	43%	0.434	S	S	*	.			trans	-140.5	49.2	-179.6	-73.9	-72.7	0	0	0	113.9	S108 Q109	H106-S108 PolarHBondContact O-N 3.44Å; H106-Q109 PolarHBondContact O-N 3.25Å
107	A	36.3	Very low	38.1	Very low	73 Å²	73	81 Å²	81	60%	0.603	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-54.3	-10.3	172.4	0	0	0	0	0	114.4	V104	V104-A107 HydrophobicContact CG1-CB 4.17Å
108	S	38.9	Very low	37.1	Very low	101 Å²	101	88.9 Å²	88.9	71%	0.706	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-77.7	-11.1	173.7	59.3	0	0	0	0	115.5	H106	H106-S108 PolarHBondContact O-N 3.44Å
109	Q	37.5	Very low	36.2	Very low	142 Å²	142	97.5 Å²	97.5	66%	0.664	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-94.3	-2.1	-179.9	-75.3	-175.9	-13.5	0	0	114.7	H106 S111 K112	H106-Q109 PolarHBondContact O-N 3.25Å; Q109-S111 VanDerWaalsContact C-N 3.28Å; Q109-S111 PolarHBondContact O-N 3.05Å; Q109-K112 PolarHBondContact O-N 2.84Å
110	Y	37.1	Very low	35.3	Very low	70 Å²	70	106.4 Å²	106.4	28%	0.275	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-71.4	-13.6	-172.1	-119	-99.4	0	0	0	115.5	E19 K112 F113	E19-Y110 PolarHBondContact OE2-OH 3.28Å; Y110-K112 PolarHBondContact O-N 3.06Å; Y110-K112 VanDerWaalsContact O-N 3.1Å; Y110-F113 PolarHBondContact O-N 2.97Å
111	S	33.9	Very low	34.9	Very low	104 Å²	104	108 Å²	108	73%	0.727	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-63.6	-15.8	175.4	61.2	0	0	0	0	113.5	Q109	Q109-S111 VanDerWaalsContact C-N 3.28Å; Q109-S111 PolarHBondContact O-N 3.05Å
112	K	33.6	Very low	34.4	Very low	168 Å²	168	113 Å²	113	73%	0.73	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-91.6	-22.2	177.6	-68.9	-175.5	178.2	-179.1	0	114.5	Q109 Y110	Q109-K112 PolarHBondContact O-N 2.84Å; Y110-K112 PolarHBondContact O-N 3.06Å; Y110-K112 VanDerWaalsContact O-N 3.1Å
113	F	34.3	Very low	33.8	Very low	99 Å²	99	116.2 Å²	116.2	43%	0.434	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87	-31.3	-172.9	-124.7	-87.3	0	0	0	113.5	Y110 A115 V116 Y117	Y110-F113 PolarHBondContact O-N 2.97Å; F113-A115 PolarHBondContact O-N 2.96Å; F113-V116 PolarHBondContact O-N 3.02Å; F113-V116 VanDerWaalsContact O-N 3.12Å; F113-Y117 HydrophobicContact CD1-CD2 4.33Å; F113-Y117 AromaticContact CD1-CE2 3.92Å; F113-Y117 HydrophobicContact CD1-CE2 3.92Å; F113-Y117 HydrophobicContact CE1-CE2 4.02Å
114	N	31	Very low	33.7	Very low	109 Å²	109	120.2 Å²	120.2	58%	0.583	63%	0.628	S	S	*	*	H	α-helix	trans	-61	-22.9	171.7	-94.4	-12.2	0	0	0	113.1
115	A	29.4	Very low	33.2	Very low	57 Å²	57	122.9 Å²	122.9	47%	0.471	64%	0.639	S	S	.	*	H	α-helix	trans	-75.1	-24	177.2	0	0	0	0	0	113.5	F113	F113-A115 PolarHBondContact O-N 2.96Å
116	V	30.9	Very low	33	Very low	87 Å²	87	119.5 Å²	119.5	53%	0.527	63%	0.627	S	S	.	*	H	α-helix	trans	-83	-32.8	-175.6	-178	0	0	0	0	111.5	F113 Y119	F113-V116 PolarHBondContact O-N 3.02Å; F113-V116 VanDerWaalsContact O-N 3.12Å; V116-Y119 PolarHBondContact O-N 3.1Å
117	Y	30.5	Very low	32.7	Very low	84 Å²	84	119.1 Å²	119.1	33%	0.329	63%	0.631	S	S	.	*	H	α-helix	trans	-79.5	-14.1	178.6	-78.6	-75.3	0	0	0	114.7	V23 Y100 F113 Y119	V23-Y117 HydrophobicContact CG2-CE1 3.66Å; Y100-Y117 VanDerWaalsContact CD2-OH 3.3Å; Y100-Y117 WeakPolarHBondContact CD2-OH 3.48Å; Y100-Y117 VanDerWaalsContact CE2-OH 3.24Å; Y100-Y117 WeakPolarHBondContact CE2-OH 3.36Å; F113-Y117 HydrophobicContact CD1-CD2 4.33Å; F113-Y117 AromaticContact CD1-CE2 3.92Å; F113-Y117 HydrophobicContact CD1-CE2 3.92Å; F113-Y117 HydrophobicContact CE1-CE2 4.02Å; Y117-Y119 VanDerWaalsContact C-N 3.3Å
118	Q	29.1	Very low	32.4	Very low	174 Å²	174	122.7 Å²	122.7	81%	0.813	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-8.6	171.2	-93.1	-176.6	-28.2	0	0	113.7
119	Y	27	Very low	31.9	Very low	213 Å²	213	124.5 Å²	124.5	84%	0.835	63%	0.627	S	S	*	*			trans	-112.9	13.7	-172.8	-101.2	-81.8	0	0	0	115.2	V116 Y117	V116-Y119 PolarHBondContact O-N 3.1Å; Y117-Y119 VanDerWaalsContact C-N 3.3Å
120	V	28	Very low	31.3	Very low	187 Å²	187	122.9 Å²	122.9	100%	1.133	62%	0.624	S	S	*	*			trans	-116.9	0	175.2	-173.7	0	0	0	0	111.5

Retrieved 120 of 120 residues in 428.5 ms (Link to these results)

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