G4VDF8_SCHMA Loading...

Smp_201670

AlphaFold DB , UniProt , Accession G4VDF8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 98 aa.

						>G4VDF8_SCHMA|G4VDF8
MRSTCKFPSSYSNYCFRTTVFQFECFVRPKEVDFDNIHCISIAFAHSKFNHSFKIDIKVFLNTPIKLIFVFYISGNTRHVQLLYIAILLPLSTVMSYL
					

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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	24.3	Very low	29.7	Very low	217 Å²	217	126.9 Å²	126.9	100%	1.069	66%	0.661	S	S	*	*				0	113.1	0	-103.7	173.2	166.6	0	0	107.1	S3	M1-S3 PolarHBondContact O-N 2.74Å
2	R	23.9	Very low	30	Very low	227 Å²	227	124.4 Å²	124.4	86%	0.857	66%	0.663	S	S	*	*			trans	-74.2	116.4	176.4	-87.4	177.6	172	168.3	-2.6	108.5	T4	R2-T4 PolarHBondContact O-N 2.72Å
3	S	25.8	Very low	29.9	Very low	95 Å²	95	125.5 Å²	125.5	66%	0.664	67%	0.668	S	S	*	*			trans	-79.5	94	165.6	-62.2	0	0	0	0	108.1	M1 C5	M1-S3 PolarHBondContact O-N 2.74Å; S3-C5 PolarHBondContact O-N 3.43Å
4	T	28.4	Very low	29.9	Very low	109 Å²	109	128.1 Å²	128.1	67%	0.669	67%	0.666	S	S	*	*			trans	-81.6	104.1	170.6	42.6	0	0	0	0	109	R2 K6	R2-T4 PolarHBondContact O-N 2.72Å; T4-K6 PolarHBondContact O-N 3.1Å
5	C	28.7	Very low	29.7	Very low	56 Å²	56	125.6 Å²	125.6	38%	0.378	66%	0.663	S	S	.	*			trans	-69.1	104.1	165.8	-77	0	0	0	0	109.1	S3 F23 C25	S3-C5 PolarHBondContact O-N 3.43Å; C5-F23 HydrophobicContact CB-CD1 4.45Å; C5-F23 HydrophobicContact CB-CE1 3.41Å; C5-F23 VanDerWaalsContact CB-CE1 3.41Å; C5-F23 HydrophobicContact CB-CE2 4.01Å; C5-F23 HydrophobicContact CB-CZ 3.15Å; C5-F23 WeakPolarHBondContact SG-CE1 3.43Å; C5-F23 WeakPolarHBondContact SG-CZ 3.49Å; C5-C25 PolarHBondContact SG-SG 2.75Å
6	K	28.8	Very low	29.7	Very low	179 Å²	179	129.9 Å²	129.9	78%	0.778	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-80.6	122.4	174.2	-76.9	-174.5	177.1	-179.3	0	108.9	T4	T4-K6 PolarHBondContact O-N 3.1Å
7	F	34.5	Very low	30	Very low	121 Å²	121	134.2 Å²	134.2	53%	0.531	68%	0.68	S	S	.	*	P	Polyproline II helix	trans	-58.3	131	162.1	-74.7	-89.9	0	0	0	108.6	S9 F53	F7-S9 PolarHBondContact O-N 3.01Å; F7-F53 HydrophobicContact CE2-CZ 4.35Å; F7-F53 HydrophobicContact CZ-CE1 4.16Å; F7-F53 HydrophobicContact CZ-CE2 4.49Å; F7-F53 AromaticContact CZ-CZ 3.7Å; F7-F53 HydrophobicContact CZ-CZ 3.7Å
8	P	31.3	Very low	30.6	Very low	68 Å²	68	131.6 Å²	131.6	44%	0.442	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-61.3	122.7	169.3	-18.1	31	0	0	0	108.3	S10 Y11	P8-S10 PolarHBondContact O-N 3.31Å; P8-Y11 HydrophobicContact CB-CD2 3.91Å; P8-Y11 HydrophobicContact CB-CE2 3.85Å; P8-Y11 HydrophobicContact CG-CD2 4.22Å; P8-Y11 HydrophobicContact CG-CE2 3.92Å
9	S	35.1	Very low	31.1	Very low	114 Å²	114	126.1 Å²	126.1	80%	0.797	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-63.3	-8.1	179.1	47.1	0	0	0	0	113.6	F7 Y11 S12	F7-S9 PolarHBondContact O-N 3.01Å; S9-Y11 VanDerWaalsContact C-N 3.29Å; S9-Y11 PolarHBondContact O-N 3.36Å; S9-S12 PolarHBondContact O-OG 3.31Å
10	S	31.7	Very low	31.7	Very low	86 Å²	86	124.3 Å²	124.3	60%	0.601	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-76.8	-3.3	-177.5	41.7	0	0	0	0	115.3	P8	P8-S10 PolarHBondContact O-N 3.31Å
11	Y	34.1	Very low	32.3	Very low	124 Å²	124	120.1 Å²	120.1	49%	0.486	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-101.5	3.7	-177.6	-68.8	-69.8	0	0	0	115.1	P8 S9 N13 F21	P8-Y11 HydrophobicContact CB-CD2 3.91Å; P8-Y11 HydrophobicContact CB-CE2 3.85Å; P8-Y11 HydrophobicContact CG-CD2 4.22Å; P8-Y11 HydrophobicContact CG-CE2 3.92Å; S9-Y11 VanDerWaalsContact C-N 3.29Å; S9-Y11 PolarHBondContact O-N 3.36Å; Y11-N13 PolarHBondContact O-N 3.16Å; Y11-F21 HydrophobicContact CD1-CD1 4.15Å; Y11-F21 AromaticContact CD1-CE1 3.53Å; Y11-F21 HydrophobicContact CD1-CE1 3.53Å; Y11-F21 HydrophobicContact CD2-CE1 4.45Å; Y11-F21 HydrophobicContact CE1-CE1 4.29Å; Y11-F21 HydrophobicContact CG-CD1 4.09Å; Y11-F21 AromaticContact CG-CE1 3.61Å; Y11-F21 HydrophobicContact CG-CE1 3.61Å
12	S	33.4	Very low	33.2	Very low	97 Å²	97	115.4 Å²	115.4	68%	0.678	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-4.9	-177.6	51.2	0	0	0	0	115.5	S9	S9-S12 PolarHBondContact O-OG 3.31Å
13	N	28.5	Very low	34.3	Very low	138 Å²	138	106.3 Å²	106.3	74%	0.738	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	4.3	-169.3	-70.5	-27.8	0	0	0	116.4	Y11 C15	Y11-N13 PolarHBondContact O-N 3.16Å; N13-C15 PolarHBondContact O-N 3.36Å; N13-C15 VanDerWaalsContact O-N 3.1Å
14	Y	30.3	Very low	35.1	Very low	162 Å²	162	105.7 Å²	105.7	64%	0.635	55%	0.546	S	S	*	.			trans	-88.4	73.9	178	-81.7	-86.9	0	0	0	111.8
15	C	27.5	Very low	36	Very low	91 Å²	91	101.2 Å²	101.2	62%	0.615	52%	0.519	S	S	*	.			trans	-89.9	10.3	-175.2	-135.1	0	0	0	0	115.1	N13	N13-C15 PolarHBondContact O-N 3.36Å; N13-C15 VanDerWaalsContact O-N 3.1Å
16	F	29.8	Very low	36.7	Very low	194 Å²	194	105.2 Å²	105.2	85%	0.851	53%	0.53	S	S	*	.	S	Bend	trans	-139.6	5	-172	-69.8	-74.6	0	0	0	117.2
17	R	34.2	Very low	37.6	Very low	203 Å²	203	98.9 Å²	98.9	77%	0.766	51%	0.507	S	S	*	.	S	Bend	trans	-139.1	144.5	174.7	-75.5	-173.8	175.2	-178.5	-2.2	111	T19	R17-T19 PolarHBondContact O-N 3.02Å; R17-T19 PolarHBondContact O-OG1 3.38Å
18	T	40.3	Very low	38	Very low	88 Å²	88	103.5 Å²	103.5	54%	0.54	52%	0.52	S	S	.	.			trans	-50.9	110.7	166.1	24.2	0	0	0	0	108.9	Y72 I73	T18-Y72 HydrophobicContact CG2-CD2 4.34Å; T18-Y72 HydrophobicContact CG2-CE2 3.23Å; T18-Y72 VanDerWaalsContact CG2-CZ 3.42Å; T18-Y72 WeakPolarHBondContact CG2-OH 3.44Å; T18-I73 WeakPolarHBondContact CA-O 3.34Å
19	T	40.3	Very low	38.4	Very low	27 Å²	27	103.1 Å²	103.1	17%	0.166	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.8	-172.1	-52.2	0	0	0	0	108.8	R17 F21 I73	R17-T19 PolarHBondContact O-N 3.02Å; R17-T19 PolarHBondContact O-OG1 3.38Å; T19-F21 HydrophobicContact CG2-CD2 4.32Å; T19-F21 HydrophobicContact CG2-CE1 3.89Å; T19-F21 HydrophobicContact CG2-CE2 3.58Å; T19-F21 HydrophobicContact CG2-CZ 3.36Å; T19-I73 PolarHBondContact N-O 3.04Å; T19-I73 PolarHBondContact O-N 3.01Å
20	V	44	Very low	38.7	Very low	90 Å²	90	105.3 Å²	105.3	55%	0.545	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.2	178.4	180	0	0	0	0	108.2	V70 F71	V20-V70 HydrophobicContact CG1-CG1 3.3Å; V20-F71 VanDerWaalsContact CA-O 3.3Å; V20-F71 WeakPolarHBondContact CA-O 3.49Å
21	F	44.5	Very low	38.8	Very low	37 Å²	37	111 Å²	111	16%	0.162	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122	178.4	-63.3	-85.1	0	0	0	110.1	Y11 T19 V70 F71 I73	Y11-F21 HydrophobicContact CD1-CD1 4.15Å; Y11-F21 AromaticContact CD1-CE1 3.53Å; Y11-F21 HydrophobicContact CD1-CE1 3.53Å; Y11-F21 HydrophobicContact CD2-CE1 4.45Å; Y11-F21 HydrophobicContact CE1-CE1 4.29Å; Y11-F21 HydrophobicContact CG-CD1 4.09Å; Y11-F21 AromaticContact CG-CE1 3.61Å; Y11-F21 HydrophobicContact CG-CE1 3.61Å; T19-F21 HydrophobicContact CG2-CD2 4.32Å; T19-F21 HydrophobicContact CG2-CE1 3.89Å; T19-F21 HydrophobicContact CG2-CE2 3.58Å; T19-F21 HydrophobicContact CG2-CZ 3.36Å; F21-V70 WeakPolarHBondContact O-CA 3.25Å; F21-F71 HydrophobicContact CB-CB 4.41Å; F21-F71 HydrophobicContact CB-CD2 4.48Å; F21-F71 PolarHBondContact N-O 3.41Å; F21-F71 PolarHBondContact O-N 3.14Å; F21-I73 HydrophobicContact CD2-CD1 3.65Å; F21-I73 HydrophobicContact CD2-CG1 3.79Å; F21-I73 HydrophobicContact CE2-CB 4.23Å; F21-I73 HydrophobicContact CE2-CD1 3.24Å; F21-I73 HydrophobicContact CE2-CG1 3.56Å; F21-I73 HydrophobicContact CZ-CD1 4.13Å
22	Q	41.9	Very low	38.9	Very low	117 Å²	117	109.4 Å²	109.4	55%	0.547	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118.8	172.7	169.3	160.8	-15.2	0	0	109.5	E24 I68 F69	Q22-E24 HydrophobicContact CG-CG 4.18Å; Q22-E24 PolarHBondContact NE2-OE1 3.36Å; Q22-I68 HydrophobicContact CG-CG2 4.03Å; Q22-F69 WeakPolarHBondContact CA-O 3.45Å
23	F	47.3	Very low	38.7	Very low	36 Å²	36	112.3 Å²	112.3	16%	0.158	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.5	173.5	-170.7	-84.3	0	0	0	110.5	C5 C25 L67 I68 F69	C5-F23 HydrophobicContact CB-CD1 4.45Å; C5-F23 HydrophobicContact CB-CE1 3.41Å; C5-F23 VanDerWaalsContact CB-CE1 3.41Å; C5-F23 HydrophobicContact CB-CE2 4.01Å; C5-F23 HydrophobicContact CB-CZ 3.15Å; C5-F23 WeakPolarHBondContact SG-CE1 3.43Å; C5-F23 WeakPolarHBondContact SG-CZ 3.49Å; F23-C25 HydrophobicContact CD1-CB 4.48Å; F23-C25 HydrophobicContact CE1-CB 3.95Å; F23-L67 VanDerWaalsContact O-O 3.07Å; F23-I68 VanDerWaalsContact O-CA 3.29Å; F23-I68 WeakPolarHBondContact O-CA 3.46Å; F23-F69 HydrophobicContact CB-CB 4.15Å; F23-F69 HydrophobicContact CB-CD2 4.16Å; F23-F69 AromaticContact CD1-CD2 3.94Å; F23-F69 HydrophobicContact CD1-CD2 3.94Å; F23-F69 HydrophobicContact CD1-CE2 4.24Å; F23-F69 PolarHBondContact N-O 3.26Å; F23-F69 PolarHBondContact O-N 3.33Å
24	E	42.4	Very low	39.2	Very low	82 Å²	82	111.1 Å²	111.1	38%	0.383	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	118.4	179.8	-56.4	-170	159.7	0	0	110.9	Q22 K66 L67	Q22-E24 HydrophobicContact CG-CG 4.18Å; Q22-E24 PolarHBondContact NE2-OE1 3.36Å; E24-K66 WeakPolarHBondContact OE1-CE 3.36Å; E24-K66 IonicContact OE1-NZ 2.74Å; E24-K66 PolarHBondContact OE1-NZ 2.76Å; E24-K66 WeakPolarHBondContact OE2-CE 3.15Å; E24-K66 IonicContact OE2-NZ 2.75Å; E24-K66 PolarHBondContact OE2-NZ 3.3Å; E24-L67 VanDerWaalsContact CA-O 3.29Å; E24-L67 WeakPolarHBondContact CA-O 3.35Å
25	C	46.7	Very low	38.9	Very low	15 Å²	15	110.1 Å²	110.1	10%	0.101	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.8	172.6	-173.5	0	0	0	0	110.5	C5 F23 K66 L67	C5-C25 PolarHBondContact SG-SG 2.75Å; F23-C25 HydrophobicContact CD1-CB 4.48Å; F23-C25 HydrophobicContact CE1-CB 3.95Å; C25-K66 WeakPolarHBondContact O-CA 3.21Å; C25-L67 HydrophobicContact CB-CB 4.22Å; C25-L67 HydrophobicContact CB-CD1 4.45Å; C25-L67 PolarHBondContact N-O 2.79Å; C25-L67 PolarHBondContact O-N 2.99Å
26	F	44.1	Very low	38.8	Very low	141 Å²	141	111.7 Å²	111.7	62%	0.618	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	114.7	166.6	-81.2	-87.3	0	0	0	109.9
27	V	48.2	Very low	38.8	Very low	46 Å²	46	106.8 Å²	106.8	28%	0.279	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.4	173.7	-172.8	0	0	0	0	107.9	P64 I65 L67	V27-P64 WeakPolarHBondContact O-CA 3.24Å; V27-I65 HydrophobicContact CB-CG1 3.96Å; V27-I65 HydrophobicContact CG2-CD1 4.35Å; V27-I65 HydrophobicContact CG2-CG1 4.25Å; V27-I65 PolarHBondContact N-O 3.2Å; V27-I65 PolarHBondContact O-N 3.42Å; V27-L67 HydrophobicContact CG2-CD1 3.7Å; V27-L67 HydrophobicContact CG2-CG 4.4Å
28	R	42.8	Very low	38.4	Very low	217 Å²	217	104.4 Å²	104.4	82%	0.819	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-82.5	142.1	172.6	-70.8	-171.2	-174.8	-179	1.6	109.7	K30	R28-K30 PolarHBondContact O-N 3.07Å
29	P	40.3	Very low	37.7	Very low	61 Å²	61	106.5 Å²	106.5	40%	0.396	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-61.6	129.9	175.2	25	-32.1	0	0	0	109.8
30	K	41.3	Very low	37.1	Very low	160 Å²	160	109.1 Å²	109.1	70%	0.696	55%	0.546	S	S	*	.			trans	-144.2	132.8	165.8	-112.3	-169.4	174.4	-167.8	0	107.9	R28 V32	R28-K30 PolarHBondContact O-N 3.07Å; K30-V32 HydrophobicContact CB-CG2 4.33Å; K30-V32 PolarHBondContact O-N 3.23Å
31	E	33.9	Very low	36.2	Very low	206 Å²	206	110.7 Å²	110.7	96%	0.963	56%	0.56	S	S	*	*			trans	-58.9	107	168.9	-72.3	177.7	163.8	0	0	108.7
32	V	35.1	Very low	35.5	Very low	89 Å²	89	111.3 Å²	111.3	54%	0.539	57%	0.565	S	S	.	*			trans	-143.2	116.9	165.9	-158.9	0	0	0	0	107.6	K30 F34	K30-V32 HydrophobicContact CB-CG2 4.33Å; K30-V32 PolarHBondContact O-N 3.23Å; V32-F34 HydrophobicContact CB-CD2 4.19Å; V32-F34 HydrophobicContact CB-CE2 3.89Å; V32-F34 HydrophobicContact CG1-CD2 3.9Å; V32-F34 HydrophobicContact CG1-CE2 3.24Å; V32-F34 HydrophobicContact CG1-CZ 3.96Å
33	D	29.6	Very low	34.7	Very low	159 Å²	159	110.1 Å²	110.1	85%	0.85	58%	0.575	S	S	*	*			trans	-67.7	133.1	-179.6	-150.3	-1.7	0	0	0	110.8
34	F	38.3	Very low	34	Very low	113 Å²	113	110.8 Å²	110.8	50%	0.496	58%	0.578	S	S	.	*			trans	-158.9	111.4	177.5	-81.7	-66.9	0	0	0	115.5	V32 K58 F60	V32-F34 HydrophobicContact CB-CD2 4.19Å; V32-F34 HydrophobicContact CB-CE2 3.89Å; V32-F34 HydrophobicContact CG1-CD2 3.9Å; V32-F34 HydrophobicContact CG1-CE2 3.24Å; V32-F34 HydrophobicContact CG1-CZ 3.96Å; F34-K58 HydrophobicContact CB-CD 4.15Å; F34-F60 WeakPolarHBondContact O-CZ 3.3Å
35	D	24.7	Very low	33.1	Very low	141 Å²	141	110.6 Å²	110.6	75%	0.754	59%	0.591	S	S	*	*			trans	-60.3	150	153.2	-80.9	-42.6	0	0	0	112.5	K58	D35-K58 PolarHBondContact O-NZ 2.99Å
36	N	24.5	Very low	32.4	Very low	124 Å²	124	117.3 Å²	117.3	66%	0.663	62%	0.62	S	S	*	*			trans	64.6	95	167.3	-63.5	-32.5	0	0	0	117.7	K58	N36-K58 PolarHBondContact O-NZ 3.06Å
37	I	30.3	Very low	31.6	Very low	90 Å²	90	114.1 Å²	114.1	46%	0.462	62%	0.615	S	S	.	*			trans	-96.2	108.6	159.4	-50.7	-171.6	0	0	0	108	K58 F60	I37-K58 HydrophobicContact CD1-CB 3.41Å; I37-K58 VanDerWaalsContact CD1-CB 3.41Å; I37-K58 HydrophobicContact CD1-CD 4.49Å; I37-K58 WeakPolarHBondContact CD1-O 3.32Å; I37-K58 HydrophobicContact CG1-CB 3.57Å; I37-K58 HydrophobicContact CG1-CD 3.72Å; I37-K58 HydrophobicContact CG1-CG 4.27Å; I37-F60 HydrophobicContact CD1-CD2 4.12Å; I37-F60 HydrophobicContact CD1-CE2 3.63Å; I37-F60 HydrophobicContact CG1-CE2 4.3Å
38	H	25.3	Very low	31	Very low	154 Å²	154	118.5 Å²	118.5	71%	0.713	63%	0.631	S	S	*	*			trans	-87	119.1	163.6	-75.7	-82.3	0	0	0	108.5	I40	H38-I40 WeakPolarHBondContact O-CG1 3.47Å; H38-I40 PolarHBondContact O-N 3.24Å; H38-I40 VanDerWaalsContact O-N 3.16Å
39	C	25.9	Very low	30.9	Very low	132 Å²	132	113.5 Å²	113.5	89%	0.892	62%	0.615	S	S	*	*			trans	-49.3	118	166.8	-100.4	0	0	0	0	109.8	S41	C39-S41 PolarHBondContact O-N 3.02Å
40	I	28.5	Very low	30.6	Very low	82 Å²	82	117.4 Å²	117.4	42%	0.421	63%	0.632	S	S	.	*			trans	-92.4	92.5	177.8	-51.1	178.2	0	0	0	108.6	H38 I42 I55	H38-I40 WeakPolarHBondContact O-CG1 3.47Å; H38-I40 PolarHBondContact O-N 3.24Å; H38-I40 VanDerWaalsContact O-N 3.16Å; I40-I42 HydrophobicContact CB-CG1 4.34Å; I40-I42 HydrophobicContact CG2-CB 4.43Å; I40-I42 HydrophobicContact CG2-CD1 4.08Å; I40-I42 HydrophobicContact CG2-CG1 3.25Å; I40-I42 PolarHBondContact O-N 3.04Å; I40-I55 HydrophobicContact CD1-CG2 4.39Å
41	S	25.3	Very low	30.3	Very low	122 Å²	122	116.9 Å²	116.9	85%	0.853	63%	0.632	S	S	*	*			trans	-71.5	99.6	152.6	-102.7	0	0	0	0	107.4	C39 A43	C39-S41 PolarHBondContact O-N 3.02Å; S41-A43 VanDerWaalsContact C-N 3.34Å; S41-A43 PolarHBondContact O-N 2.81Å
42	I	29.8	Very low	30.6	Very low	50 Å²	50	113.2 Å²	113.2	26%	0.256	63%	0.63	S	S	.	*			trans	-78.9	88.8	174.3	-51.9	175	0	0	0	108	I40 F44 I55 L82	I40-I42 HydrophobicContact CB-CG1 4.34Å; I40-I42 HydrophobicContact CG2-CB 4.43Å; I40-I42 HydrophobicContact CG2-CD1 4.08Å; I40-I42 HydrophobicContact CG2-CG1 3.25Å; I40-I42 PolarHBondContact O-N 3.04Å; I42-F44 HydrophobicContact CB-CD2 4.19Å; I42-F44 HydrophobicContact CB-CE2 3.97Å; I42-F44 HydrophobicContact CG2-CD1 4.36Å; I42-F44 HydrophobicContact CG2-CD2 3.52Å; I42-F44 HydrophobicContact CG2-CE1 4.23Å; I42-F44 HydrophobicContact CG2-CE2 3.37Å; I42-F44 HydrophobicContact CG2-CG 4.03Å; I42-F44 HydrophobicContact CG2-CZ 3.76Å; I42-F44 PolarHBondContact O-N 3.04Å; I42-F44 VanDerWaalsContact O-N 3.09Å; I42-I55 HydrophobicContact CD1-CD1 3.48Å; I42-I55 VanDerWaalsContact CD1-CD1 3.48Å; I42-I55 HydrophobicContact CD1-CG1 3.66Å; I42-L82 HydrophobicContact CD1-CD2 4.37Å
43	A	25.4	Very low	31	Very low	93 Å²	93	111.9 Å²	111.9	77%	0.769	62%	0.617	S	S	*	*			trans	-69.6	97.6	162.1	0	0	0	0	0	108.1	S41 A45	S41-A43 VanDerWaalsContact C-N 3.34Å; S41-A43 PolarHBondContact O-N 2.81Å; A43-A45 VanDerWaalsContact C-N 3.35Å; A43-A45 PolarHBondContact O-N 3.45Å
44	F	30.6	Very low	31.6	Very low	49 Å²	49	111.4 Å²	111.4	22%	0.215	61%	0.607	C	S	.	*			trans	-70.1	90.2	175.1	-82.9	-86.2	0	0	0	110.2	I42 H46 F53 V80 L82	I42-F44 HydrophobicContact CB-CD2 4.19Å; I42-F44 HydrophobicContact CB-CE2 3.97Å; I42-F44 HydrophobicContact CG2-CD1 4.36Å; I42-F44 HydrophobicContact CG2-CD2 3.52Å; I42-F44 HydrophobicContact CG2-CE1 4.23Å; I42-F44 HydrophobicContact CG2-CE2 3.37Å; I42-F44 HydrophobicContact CG2-CG 4.03Å; I42-F44 HydrophobicContact CG2-CZ 3.76Å; I42-F44 PolarHBondContact O-N 3.04Å; I42-F44 VanDerWaalsContact O-N 3.09Å; F44-H46 PolarHBondContact O-N 3.47Å; F44-F53 HydrophobicContact CE1-CD1 4.37Å; F44-F53 HydrophobicContact CZ-CD1 4.46Å; F44-F53 HydrophobicContact CZ-CD2 4.42Å; F44-F53 HydrophobicContact CZ-CE1 4.42Å; F44-F53 HydrophobicContact CZ-CE2 4.39Å; F44-F53 HydrophobicContact CZ-CG 4.46Å; F44-F53 HydrophobicContact CZ-CZ 4.36Å; F44-V80 WeakPolarHBondContact CB-O 3.46Å; F44-V80 WeakPolarHBondContact CD2-O 3.18Å; F44-V80 WeakPolarHBondContact CG-O 3.38Å; F44-L82 HydrophobicContact CE2-CB 4.3Å
45	A	24.7	Very low	32.1	Very low	79 Å²	79	107.8 Å²	107.8	65%	0.653	59%	0.592	S	S	*	*			trans	-78.6	109.2	166.6	0	0	0	0	0	109.9	A43 S47	A43-A45 VanDerWaalsContact C-N 3.35Å; A43-A45 PolarHBondContact O-N 3.45Å; A45-S47 VanDerWaalsContact C-N 3.3Å; A45-S47 PolarHBondContact O-N 2.82Å
46	H	31.2	Very low	33	Very low	156 Å²	156	105.9 Å²	105.9	72%	0.722	58%	0.582	S	S	*	*	S	Bend	trans	40.9	25.1	149.3	-69.4	-92.4	0	0	0	121.2	F44 H79	F44-H46 PolarHBondContact O-N 3.47Å; H46-H79 AromaticContact CE1-CE1 3.26Å; H46-H79 PolarHBondContact CE1-CE1 3.44Å; H46-H79 AromaticContact CE1-NE2 3.33Å; H46-H79 PolarHBondContact CE1-NE2 3.48Å; H46-H79 VanDerWaalsContact CE1-NE2 3.33Å; H46-H79 AromaticContact CG-CE1 3.66Å; H46-H79 AromaticContact ND1-CE1 3.14Å; H46-H79 PolarHBondContact ND1-CE1 2.74Å; H46-H79 AromaticContact ND1-NE2 3.62Å; H46-H79 AromaticContact NE2-CE1 3.87Å
47	S	28.8	Very low	34.2	Very low	73 Å²	73	102.8 Å²	102.8	51%	0.51	57%	0.565	S	S	.	*			trans	-95.3	123.5	173.2	78	0	0	0	0	111.1	A45 F49	A45-S47 VanDerWaalsContact C-N 3.3Å; A45-S47 PolarHBondContact O-N 2.82Å; S47-F49 PolarHBondContact O-N 2.81Å
48	K	34.3	Very low	34.8	Very low	139 Å²	139	101.6 Å²	101.6	60%	0.604	56%	0.556	S	S	*	*			trans	-49	137.7	165.7	-71.8	173.2	177.9	172.2	0	107.8	N50	K48-N50 PolarHBondContact O-N 2.8Å
49	F	41.9	Very low	36	Very low	111 Å²	111	96.4 Å²	96.4	49%	0.487	54%	0.535	S	S	.	.	S	Bend	trans	-64.3	43.8	-179.1	-110	-103.1	0	0	0	114.9	S47 F53 V80	S47-F49 PolarHBondContact O-N 2.81Å; F49-F53 HydrophobicContact CE1-CD1 4.48Å; F49-F53 AromaticContact CE1-CE1 3.87Å; F49-F53 HydrophobicContact CE1-CE1 3.87Å; F49-F53 HydrophobicContact CZ-CD1 4.43Å; F49-F53 AromaticContact CZ-CE1 3.81Å; F49-F53 HydrophobicContact CZ-CE1 3.81Å; F49-V80 HydrophobicContact CD2-CG2 3.8Å; F49-V80 HydrophobicContact CE2-CB 3.49Å; F49-V80 VanDerWaalsContact CE2-CB 3.49Å; F49-V80 HydrophobicContact CE2-CG1 4.28Å; F49-V80 HydrophobicContact CE2-CG2 3.09Å; F49-V80 HydrophobicContact CZ-CB 3.8Å; F49-V80 HydrophobicContact CZ-CG1 4.07Å; F49-V80 HydrophobicContact CZ-CG2 3.51Å
50	N	32.8	Very low	37.1	Very low	143 Å²	143	96.5 Å²	96.5	77%	0.765	52%	0.521	S	S	*	.			trans	-93	-2.1	172.1	-83.5	7.5	0	0	0	112.6	K48	K48-N50 PolarHBondContact O-N 2.8Å
51	H	34.9	Very low	38.3	Very low	150 Å²	150	94.4 Å²	94.4	69%	0.694	51%	0.51	S	S	*	.	S	Bend	trans	-121.9	131.7	-178.1	-73.2	-74.6	0	0	0	111.6	F53	H51-F53 PolarHBondContact O-N 3.07Å
52	S	41.1	Very low	39.6	Very low	129 Å²	129	96.1 Å²	96.1	90%	0.902	51%	0.51	S	S	*	.			trans	-63.6	124.8	167.8	-34.9	0	0	0	0	108.4
53	F	42.2	Very low	40.5	Very low	61 Å²	61	95.7 Å²	95.7	27%	0.268	51%	0.509	S	S	.	.			trans	-97.7	141.8	168.7	63.2	-88.5	0	0	0	109.5	F7 F44 F49 H51 I55 F71	F7-F53 HydrophobicContact CE2-CZ 4.35Å; F7-F53 HydrophobicContact CZ-CE1 4.16Å; F7-F53 HydrophobicContact CZ-CE2 4.49Å; F7-F53 AromaticContact CZ-CZ 3.7Å; F7-F53 HydrophobicContact CZ-CZ 3.7Å; F44-F53 HydrophobicContact CE1-CD1 4.37Å; F44-F53 HydrophobicContact CZ-CD1 4.46Å; F44-F53 HydrophobicContact CZ-CD2 4.42Å; F44-F53 HydrophobicContact CZ-CE1 4.42Å; F44-F53 HydrophobicContact CZ-CE2 4.39Å; F44-F53 HydrophobicContact CZ-CG 4.46Å; F44-F53 HydrophobicContact CZ-CZ 4.36Å; F49-F53 HydrophobicContact CE1-CD1 4.48Å; F49-F53 AromaticContact CE1-CE1 3.87Å; F49-F53 HydrophobicContact CE1-CE1 3.87Å; F49-F53 HydrophobicContact CZ-CD1 4.43Å; F49-F53 AromaticContact CZ-CE1 3.81Å; F49-F53 HydrophobicContact CZ-CE1 3.81Å; H51-F53 PolarHBondContact O-N 3.07Å; F53-I55 HydrophobicContact CD2-CD1 4.11Å; F53-I55 HydrophobicContact CD2-CG1 3.87Å; F53-I55 HydrophobicContact CE2-CD1 3.82Å; F53-I55 HydrophobicContact CE2-CG1 4.07Å; F53-F71 HydrophobicContact CE2-CE1 4.26Å; F53-F71 HydrophobicContact CE2-CZ 4.19Å; F53-F71 HydrophobicContact CZ-CE1 4.08Å; F53-F71 HydrophobicContact CZ-CZ 4.09Å
54	K	44.1	Very low	41.9	Very low	149 Å²	149	94.4 Å²	94.4	65%	0.648	49%	0.494	S	S	*	.			trans	-112.4	123.2	178	-173.9	176	179.5	-111.7	0	107.9	D56	K54-D56 WeakPolarHBondContact CE-OD1 3.27Å; K54-D56 IonicContact NZ-OD1 2.74Å; K54-D56 PolarHBondContact NZ-OD1 2.93Å; K54-D56 IonicContact NZ-OD2 2.79Å; K54-D56 PolarHBondContact NZ-OD2 3.09Å
55	I	48.8	Very low	43.1	Very low	36 Å²	36	92.2 Å²	92.2	19%	0.185	48%	0.484	C	S	.	.			trans	-105.8	113.9	171.4	-51.1	-177.7	0	0	0	106.4	I40 I42 F53 I57 F69	I40-I55 HydrophobicContact CD1-CG2 4.39Å; I42-I55 HydrophobicContact CD1-CD1 3.48Å; I42-I55 VanDerWaalsContact CD1-CD1 3.48Å; I42-I55 HydrophobicContact CD1-CG1 3.66Å; F53-I55 HydrophobicContact CD2-CD1 4.11Å; F53-I55 HydrophobicContact CD2-CG1 3.87Å; F53-I55 HydrophobicContact CE2-CD1 3.82Å; F53-I55 HydrophobicContact CE2-CG1 4.07Å; I55-I57 HydrophobicContact CG2-CD1 4.12Å; I55-I57 HydrophobicContact CG2-CG1 3.7Å; I55-F69 HydrophobicContact CD1-CD1 4.19Å; I55-F69 HydrophobicContact CD1-CE1 3.92Å; I55-F69 HydrophobicContact CG2-CE1 4.39Å
56	D	43.5	Very low	44.5	Very low	101 Å²	101	91.1 Å²	91.1	54%	0.54	47%	0.465	S	S	.	.			trans	-92.2	107.3	173	-73.5	-42.9	0	0	0	108.5	K54	K54-D56 WeakPolarHBondContact CE-OD1 3.27Å; K54-D56 IonicContact NZ-OD1 2.74Å; K54-D56 PolarHBondContact NZ-OD1 2.93Å; K54-D56 IonicContact NZ-OD2 2.79Å; K54-D56 PolarHBondContact NZ-OD2 3.09Å
57	I	48	Very low	45.8	Very low	59 Å²	59	84 Å²	84	30%	0.303	43%	0.432	S	S	.	.			trans	-105.1	118.2	175.9	-54.4	-171.8	0	0	0	107.9	I55 V59 L67 F69 I85	I55-I57 HydrophobicContact CG2-CD1 4.12Å; I55-I57 HydrophobicContact CG2-CG1 3.7Å; I57-V59 HydrophobicContact CG2-CG2 3.58Å; I57-L67 HydrophobicContact CB-CD1 4.43Å; I57-L67 HydrophobicContact CD1-CD1 4Å; I57-L67 HydrophobicContact CD1-CD2 4.38Å; I57-L67 HydrophobicContact CG2-CD1 4.38Å; I57-L67 HydrophobicContact CG2-CD2 4.47Å; I57-F69 HydrophobicContact CD1-CE1 3.53Å; I57-F69 HydrophobicContact CD1-CZ 3.34Å; I57-F69 HydrophobicContact CG1-CZ 4.48Å; I57-I85 HydrophobicContact CD1-CD1 4.41Å; I57-I85 HydrophobicContact CD1-CG2 4.44Å
58	K	44.7	Very low	47.1	Very low	66 Å²	66	81.4 Å²	81.4	29%	0.287	41%	0.412	S	S	.	.			trans	-92.6	123.3	174.3	-74.1	175.7	173.4	-179.6	0	108.3	F34 D35 N36 I37	F34-K58 HydrophobicContact CB-CD 4.15Å; D35-K58 PolarHBondContact O-NZ 2.99Å; N36-K58 PolarHBondContact O-NZ 3.06Å; I37-K58 HydrophobicContact CD1-CB 3.41Å; I37-K58 VanDerWaalsContact CD1-CB 3.41Å; I37-K58 HydrophobicContact CD1-CD 4.49Å; I37-K58 WeakPolarHBondContact CD1-O 3.32Å; I37-K58 HydrophobicContact CG1-CB 3.57Å; I37-K58 HydrophobicContact CG1-CD 3.72Å; I37-K58 HydrophobicContact CG1-CG 4.27Å
59	V	49	Very low	48.5	Very low	44 Å²	44	75.6 Å²	75.6	27%	0.267	39%	0.387	S	S	.	.			trans	-132.6	114.7	-173.3	-179.2	0	0	0	0	108.1	I57 L61 I65	I57-V59 HydrophobicContact CG2-CG2 3.58Å; V59-L61 HydrophobicContact CG1-CB 4.12Å; V59-L61 HydrophobicContact CG1-CD1 3.37Å; V59-L61 HydrophobicContact CG1-CG 3.76Å; V59-L61 PolarHBondContact O-N 3.18Å; V59-I65 HydrophobicContact CB-CD1 4.12Å; V59-I65 HydrophobicContact CG1-CD1 3.42Å; V59-I65 VanDerWaalsContact CG1-CD1 3.42Å; V59-I65 HydrophobicContact CG1-CG1 3.97Å; V59-I65 HydrophobicContact CG2-CD1 3.79Å
60	F	48.6	Very low	49.2	Very low	135 Å²	135	70.6 Å²	70.6	59%	0.592	37%	0.365	S	S	*	.			trans	-92.8	82.2	178.1	-65.4	-77.4	0	0	0	110.1	F34 I37	F34-F60 WeakPolarHBondContact O-CZ 3.3Å; I37-F60 HydrophobicContact CD1-CD2 4.12Å; I37-F60 HydrophobicContact CD1-CE2 3.63Å; I37-F60 HydrophobicContact CG1-CE2 4.3Å
61	L	55.7	Low	50.5	Low	37 Å²	37	64.2 Å²	64.2	19%	0.194	33%	0.331	C	S	.	.			trans	-140.8	132	179.7	-66.6	168.3	0	0	0	111.1	V59 T63 I65 L89 T93	V59-L61 HydrophobicContact CG1-CB 4.12Å; V59-L61 HydrophobicContact CG1-CD1 3.37Å; V59-L61 HydrophobicContact CG1-CG 3.76Å; V59-L61 PolarHBondContact O-N 3.18Å; L61-T63 PolarHBondContact O-N 3.38Å; L61-I65 HydrophobicContact CD1-CB 4.25Å; L61-I65 HydrophobicContact CD1-CD1 4.42Å; L61-I65 HydrophobicContact CD1-CG1 4.32Å; L61-I65 HydrophobicContact CD1-CG2 3.09Å; L61-I65 HydrophobicContact CG-CG2 4.42Å; L61-L89 HydrophobicContact CD1-CD2 3.33Å; L61-L89 HydrophobicContact CD2-CD2 3.81Å; L61-L89 HydrophobicContact CG-CD2 4.24Å; L61-T93 HydrophobicContact CD2-CG2 4.29Å
62	N	51.4	Low	51.5	Low	159 Å²	159	60.6 Å²	60.6	85%	0.85	31%	0.311	S	S	*	.	S	Bend	trans	-75.6	-6.1	169.7	-71.3	-12.6	0	0	0	112.1
63	T	49.2	Very low	52.3	Low	40 Å²	40	56.9 Å²	56.9	25%	0.245	28%	0.281	C	S	.	.	S	Bend	trans	-114.9	145	-179.2	51.8	0	0	0	0	111.2	L61 I65 T93	L61-T63 PolarHBondContact O-N 3.38Å; T63-I65 PolarHBondContact O-N 3.35Å; T63-T93 HydrophobicContact CG2-CG2 4.46Å; T63-T93 VanDerWaalsContact OG1-CG2 3.32Å; T63-T93 WeakPolarHBondContact OG1-CG2 3.22Å; T63-T93 PolarHBondContact OG1-OG1 3Å
64	P	53.7	Low	52.6	Low	67 Å²	67	55.2 Å²	55.2	44%	0.435	28%	0.277	S	S	.	.			trans	-59.3	137.6	173.8	-19.3	30.3	0	0	0	110.7	V27 P90	V27-P64 WeakPolarHBondContact O-CA 3.24Å; P64-P90 VanDerWaalsContact O-CD 3.3Å; P64-P90 WeakPolarHBondContact O-CD 3.29Å; P64-P90 VanDerWaalsContact O-CG 3.24Å; P64-P90 WeakPolarHBondContact O-CG 3.03Å
65	I	55.9	Low	52.6	Low	2 Å²	2	50.2 Å²	50.2	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	156.9	172.2	54.7	148.2	0	0	0	112.6	V27 V59 L61 T63 L67 I87 L89	V27-I65 HydrophobicContact CB-CG1 3.96Å; V27-I65 HydrophobicContact CG2-CD1 4.35Å; V27-I65 HydrophobicContact CG2-CG1 4.25Å; V27-I65 PolarHBondContact N-O 3.2Å; V27-I65 PolarHBondContact O-N 3.42Å; V59-I65 HydrophobicContact CB-CD1 4.12Å; V59-I65 HydrophobicContact CG1-CD1 3.42Å; V59-I65 VanDerWaalsContact CG1-CD1 3.42Å; V59-I65 HydrophobicContact CG1-CG1 3.97Å; V59-I65 HydrophobicContact CG2-CD1 3.79Å; L61-I65 HydrophobicContact CD1-CB 4.25Å; L61-I65 HydrophobicContact CD1-CD1 4.42Å; L61-I65 HydrophobicContact CD1-CG1 4.32Å; L61-I65 HydrophobicContact CD1-CG2 3.09Å; L61-I65 HydrophobicContact CG-CG2 4.42Å; T63-I65 PolarHBondContact O-N 3.35Å; I65-L67 HydrophobicContact CD1-CD1 4.38Å; I65-L67 HydrophobicContact CD1-CD2 3.74Å; I65-L67 HydrophobicContact CD1-CG 3.81Å; I65-I87 HydrophobicContact CB-CG2 4.29Å; I65-I87 HydrophobicContact CD1-CG2 3.71Å; I65-I87 HydrophobicContact CG2-CG2 4.34Å; I65-L89 HydrophobicContact CG2-CD2 3.63Å; I65-L89 HydrophobicContact CG2-CG 4.43Å
66	K	54.5	Low	52.5	Low	57 Å²	57	56 Å²	56	25%	0.248	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.7	172.3	-179.5	175.7	-179.8	173.1	0	108.9	E24 C25 I68 L88	E24-K66 WeakPolarHBondContact OE1-CE 3.36Å; E24-K66 IonicContact OE1-NZ 2.74Å; E24-K66 PolarHBondContact OE1-NZ 2.76Å; E24-K66 WeakPolarHBondContact OE2-CE 3.15Å; E24-K66 IonicContact OE2-NZ 2.75Å; E24-K66 PolarHBondContact OE2-NZ 3.3Å; C25-K66 WeakPolarHBondContact O-CA 3.21Å; K66-I68 HydrophobicContact CG-CG1 4.38Å; K66-L88 HydrophobicContact CB-CB 3.95Å; K66-L88 HydrophobicContact CD-CD1 4.37Å; K66-L88 PolarHBondContact N-O 3.21Å; K66-L88 VanDerWaalsContact N-O 3.07Å; K66-L88 PolarHBondContact O-N 2.67Å
67	L	59	Low	52.6	Low	6 Å²	6	53.9 Å²	53.9	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.3	171.3	-65.8	166.3	0	0	0	108.7	F23 E24 C25 V27 I57 I65 F69 I87	F23-L67 VanDerWaalsContact O-O 3.07Å; E24-L67 VanDerWaalsContact CA-O 3.29Å; E24-L67 WeakPolarHBondContact CA-O 3.35Å; C25-L67 HydrophobicContact CB-CB 4.22Å; C25-L67 HydrophobicContact CB-CD1 4.45Å; C25-L67 PolarHBondContact N-O 2.79Å; C25-L67 PolarHBondContact O-N 2.99Å; V27-L67 HydrophobicContact CG2-CD1 3.7Å; V27-L67 HydrophobicContact CG2-CG 4.4Å; I57-L67 HydrophobicContact CB-CD1 4.43Å; I57-L67 HydrophobicContact CD1-CD1 4Å; I57-L67 HydrophobicContact CD1-CD2 4.38Å; I57-L67 HydrophobicContact CG2-CD1 4.38Å; I57-L67 HydrophobicContact CG2-CD2 4.47Å; I65-L67 HydrophobicContact CD1-CD1 4.38Å; I65-L67 HydrophobicContact CD1-CD2 3.74Å; I65-L67 HydrophobicContact CD1-CG 3.81Å; L67-F69 HydrophobicContact CB-CD2 4.45Å; L67-F69 HydrophobicContact CB-CE2 3.75Å; L67-F69 HydrophobicContact CB-CZ 4.33Å; L67-F69 HydrophobicContact CD1-CZ 4.47Å; L67-I87 HydrophobicContact CD2-CB 4.35Å; L67-I87 HydrophobicContact CD2-CD1 4.12Å; L67-I87 HydrophobicContact CD2-CG1 3.71Å; L67-I87 HydrophobicContact CD2-CG2 4.25Å
68	I	56.8	Low	52.7	Low	19 Å²	19	59.9 Å²	59.9	10%	0.097	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.3	173	-64.9	-176	0	0	0	108.1	Q22 F23 K66 V70 I85 A86 L88	Q22-I68 HydrophobicContact CG-CG2 4.03Å; F23-I68 VanDerWaalsContact O-CA 3.29Å; F23-I68 WeakPolarHBondContact O-CA 3.46Å; K66-I68 HydrophobicContact CG-CG1 4.38Å; I68-V70 HydrophobicContact CG2-CG2 3.86Å; I68-I85 CarbonylContact O-C 3.57Å; I68-I85 WeakPolarHBondContact O-CA 2.97Å; I68-A86 HydrophobicContact CB-CB 4.22Å; I68-A86 PolarHBondContact N-O 2.78Å; I68-A86 PolarHBondContact O-N 3.04Å; I68-L88 HydrophobicContact CD1-CD1 3.25Å; I68-L88 HydrophobicContact CG1-CD1 3.99Å
69	F	62.9	Low	52.7	Low	17 Å²	17	59.2 Å²	59.2	8%	0.075	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.5	171	-56.1	-103	0	0	0	108.8	Q22 F23 I55 I57 L67 F71 L82 I85	Q22-F69 WeakPolarHBondContact CA-O 3.45Å; F23-F69 HydrophobicContact CB-CB 4.15Å; F23-F69 HydrophobicContact CB-CD2 4.16Å; F23-F69 AromaticContact CD1-CD2 3.94Å; F23-F69 HydrophobicContact CD1-CD2 3.94Å; F23-F69 HydrophobicContact CD1-CE2 4.24Å; F23-F69 PolarHBondContact N-O 3.26Å; F23-F69 PolarHBondContact O-N 3.33Å; I55-F69 HydrophobicContact CD1-CD1 4.19Å; I55-F69 HydrophobicContact CD1-CE1 3.92Å; I55-F69 HydrophobicContact CG2-CE1 4.39Å; I57-F69 HydrophobicContact CD1-CE1 3.53Å; I57-F69 HydrophobicContact CD1-CZ 3.34Å; I57-F69 HydrophobicContact CG1-CZ 4.48Å; L67-F69 HydrophobicContact CB-CD2 4.45Å; L67-F69 HydrophobicContact CB-CE2 3.75Å; L67-F69 HydrophobicContact CB-CZ 4.33Å; L67-F69 HydrophobicContact CD1-CZ 4.47Å; F69-F71 HydrophobicContact CB-CD2 4.21Å; F69-F71 HydrophobicContact CB-CE2 3.42Å; F69-F71 VanDerWaalsContact CB-CE2 3.42Å; F69-F71 HydrophobicContact CB-CZ 3.84Å; F69-F71 HydrophobicContact CD1-CZ 4.36Å; F69-F71 HydrophobicContact CG-CE2 4.33Å; F69-F71 HydrophobicContact CG-CZ 4.41Å; F69-L82 HydrophobicContact CB-CD1 4.23Å; F69-L82 HydrophobicContact CD1-CD1 4.29Å; F69-I85 HydrophobicContact CD1-CD1 4.21Å; F69-I85 HydrophobicContact CD1-CG1 3.94Å; F69-I85 HydrophobicContact CD1-CG2 4.34Å; F69-I85 HydrophobicContact CE1-CD1 4.08Å; F69-I85 HydrophobicContact CE1-CG1 4.27Å; F69-I85 HydrophobicContact CE1-CG2 4.3Å
70	V	56.5	Low	52.8	Low	5 Å²	5	57.6 Å²	57.6	3%	0.03	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.7	177.5	-176.7	0	0	0	0	108.9	V20 F21 I68 L83 Y84	V20-V70 HydrophobicContact CG1-CG1 3.3Å; F21-V70 WeakPolarHBondContact O-CA 3.25Å; I68-V70 HydrophobicContact CG2-CG2 3.86Å; V70-L83 HydrophobicContact CB-CB 4.44Å; V70-L83 HydrophobicContact CG1-CB 4.23Å; V70-L83 HydrophobicContact CG1-CD1 3.96Å; V70-L83 WeakPolarHBondContact O-CB 3.33Å; V70-L83 PolarHBondContact O-N 2.82Å; V70-Y84 HydrophobicContact CB-CD1 4Å; V70-Y84 HydrophobicContact CB-CD2 4.44Å; V70-Y84 HydrophobicContact CB-CE1 3.72Å; V70-Y84 HydrophobicContact CB-CE2 4.2Å; V70-Y84 HydrophobicContact CB-CG 4.35Å; V70-Y84 HydrophobicContact CG1-CD1 4.37Å; V70-Y84 HydrophobicContact CG1-CE1 3.85Å; V70-Y84 HydrophobicContact CG2-CD1 4.38Å; V70-Y84 HydrophobicContact CG2-CD2 4.17Å; V70-Y84 HydrophobicContact CG2-CE1 3.78Å; V70-Y84 HydrophobicContact CG2-CE2 3.55Å; V70-Y84 WeakPolarHBondContact CG2-OH 3.29Å; V70-Y84 PolarHBondContact N-O 3.02Å
71	F	60.7	Low	53	Low	9 Å²	9	56.5 Å²	56.5	4%	0.039	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.6	177.8	-57.6	-88.8	0	0	0	110.5	V20 F21 F53 F69 V80 Q81 L82	V20-F71 VanDerWaalsContact CA-O 3.3Å; V20-F71 WeakPolarHBondContact CA-O 3.49Å; F21-F71 HydrophobicContact CB-CB 4.41Å; F21-F71 HydrophobicContact CB-CD2 4.48Å; F21-F71 PolarHBondContact N-O 3.41Å; F21-F71 PolarHBondContact O-N 3.14Å; F53-F71 HydrophobicContact CE2-CE1 4.26Å; F53-F71 HydrophobicContact CE2-CZ 4.19Å; F53-F71 HydrophobicContact CZ-CE1 4.08Å; F53-F71 HydrophobicContact CZ-CZ 4.09Å; F69-F71 HydrophobicContact CB-CD2 4.21Å; F69-F71 HydrophobicContact CB-CE2 3.42Å; F69-F71 VanDerWaalsContact CB-CE2 3.42Å; F69-F71 HydrophobicContact CB-CZ 3.84Å; F69-F71 HydrophobicContact CD1-CZ 4.36Å; F69-F71 HydrophobicContact CG-CE2 4.33Å; F69-F71 HydrophobicContact CG-CZ 4.41Å; F71-V80 HydrophobicContact CB-CG1 3.86Å; F71-V80 HydrophobicContact CD1-CG1 3.9Å; F71-V80 HydrophobicContact CG-CG1 4.21Å; F71-Q81 CarbonylContact C-O 3.55Å; F71-Q81 VanDerWaalsContact CA-O 3.3Å; F71-Q81 WeakPolarHBondContact CA-O 3.22Å; F71-L82 HydrophobicContact CD1-CB 4.06Å; F71-L82 HydrophobicContact CD1-CD1 3.82Å; F71-L82 HydrophobicContact CE1-CB 4.06Å; F71-L82 HydrophobicContact CE1-CD1 3.51Å; F71-L82 HydrophobicContact CE1-CG 4.32Å; F71-L82 HydrophobicContact CE2-CD1 4.41Å; F71-L82 HydrophobicContact CG-CD1 4.4Å; F71-L82 HydrophobicContact CZ-CD1 3.83Å
72	Y	55.2	Low	53.1	Low	74 Å²	74	56.4 Å²	56.4	29%	0.29	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.6	167	176.1	-106.6	0	0	0	109.6	T18 V80 Q81	T18-Y72 HydrophobicContact CG2-CD2 4.34Å; T18-Y72 HydrophobicContact CG2-CE2 3.23Å; T18-Y72 VanDerWaalsContact CG2-CZ 3.42Å; T18-Y72 WeakPolarHBondContact CG2-OH 3.44Å; Y72-V80 CarbonylContact O-C 3.5Å; Y72-V80 WeakPolarHBondContact O-CA 3.3Å; Y72-Q81 PolarHBondContact N-O 3.32Å; Y72-Q81 PolarHBondContact O-N 2.96Å
73	I	57.1	Low	53.4	Low	51 Å²	51	53.5 Å²	53.5	26%	0.262	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.3	169.1	-48.7	-165.6	0	0	0	108	T18 T19 F21 V80	T18-I73 WeakPolarHBondContact CA-O 3.34Å; T19-I73 PolarHBondContact N-O 3.04Å; T19-I73 PolarHBondContact O-N 3.01Å; F21-I73 HydrophobicContact CD2-CD1 3.65Å; F21-I73 HydrophobicContact CD2-CG1 3.79Å; F21-I73 HydrophobicContact CE2-CB 4.23Å; F21-I73 HydrophobicContact CE2-CD1 3.24Å; F21-I73 HydrophobicContact CE2-CG1 3.56Å; F21-I73 HydrophobicContact CZ-CD1 4.13Å; I73-V80 HydrophobicContact CB-CG2 4.4Å; I73-V80 HydrophobicContact CD1-CG1 4.31Å; I73-V80 HydrophobicContact CD1-CG2 3.59Å; I73-V80 HydrophobicContact CG1-CB 4.26Å; I73-V80 HydrophobicContact CG1-CG1 4Å; I73-V80 HydrophobicContact CG1-CG2 3.67Å; I73-V80 HydrophobicContact CG2-CG2 4.13Å
74	S	49	Very low	53.8	Low	26 Å²	26	57.7 Å²	57.7	18%	0.182	29%	0.289	C	S	.	.			trans	-74	125.4	173.6	171.8	0	0	0	0	109.3	N76 T77 H79	S74-N76 PolarHBondContact O-N 2.74Å; S74-N76 VanDerWaalsContact O-N 3.13Å; S74-N76 PolarHBondContact OG-N 2.78Å; S74-T77 VanDerWaalsContact CB-OG1 3.29Å; S74-T77 WeakPolarHBondContact CB-OG1 3.29Å; S74-T77 CarbonylContact O-C 3.59Å; S74-T77 PolarHBondContact O-N 3.43Å; S74-T77 PolarHBondContact OG-OG1 2.69Å; S74-H79 PolarHBondContact N-O 2.79Å
75	G	45.1	Very low	54.1	Low	44 Å²	44	57.6 Å²	57.6	45%	0.454	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21	179.1	0	0	0	0	0	113.8
76	N	46.9	Very low	54.1	Low	157 Å²	157	59 Å²	59	84%	0.84	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-11	-174.7	-142.1	8.7	0	0	0	113.4	S74	S74-N76 PolarHBondContact O-N 2.74Å; S74-N76 VanDerWaalsContact O-N 3.13Å; S74-N76 PolarHBondContact OG-N 2.78Å
77	T	43.9	Very low	54.4	Low	58 Å²	58	60.7 Å²	60.7	36%	0.356	31%	0.307	S	S	.	.	S	Bend	trans	-141.8	133.6	-177	60.5	0	0	0	0	108	S74 H79	S74-T77 VanDerWaalsContact CB-OG1 3.29Å; S74-T77 WeakPolarHBondContact CB-OG1 3.29Å; S74-T77 CarbonylContact O-C 3.59Å; S74-T77 PolarHBondContact O-N 3.43Å; S74-T77 PolarHBondContact OG-OG1 2.69Å; T77-H79 WeakPolarHBondContact CB-CD2 3.09Å; T77-H79 PolarHBondContact O-N 3.3Å; T77-H79 PolarHBondContact OG1-CD2 3.21Å
78	R	50.1	Low	54.3	Low	185 Å²	185	64.8 Å²	64.8	70%	0.698	33%	0.328	S	S	*	.	S	Bend	trans	-66.6	27.9	175.8	-58.5	-178	-176.1	-173.7	1	113.4
79	H	45.3	Very low	54.2	Low	52 Å²	52	67.3 Å²	67.3	24%	0.241	34%	0.341	C	S	.	.			trans	-89.3	120	176.8	-60.6	-43.4	0	0	0	109.1	H46 S74 T77	H46-H79 AromaticContact CE1-CE1 3.26Å; H46-H79 PolarHBondContact CE1-CE1 3.44Å; H46-H79 AromaticContact CE1-NE2 3.33Å; H46-H79 PolarHBondContact CE1-NE2 3.48Å; H46-H79 VanDerWaalsContact CE1-NE2 3.33Å; H46-H79 AromaticContact CG-CE1 3.66Å; H46-H79 AromaticContact ND1-CE1 3.14Å; H46-H79 PolarHBondContact ND1-CE1 2.74Å; H46-H79 AromaticContact ND1-NE2 3.62Å; H46-H79 AromaticContact NE2-CE1 3.87Å; S74-H79 PolarHBondContact N-O 2.79Å; T77-H79 WeakPolarHBondContact CB-CD2 3.09Å; T77-H79 PolarHBondContact O-N 3.3Å; T77-H79 PolarHBondContact OG1-CD2 3.21Å
80	V	51.2	Low	53.7	Low	9 Å²	9	68.6 Å²	68.6	6%	0.055	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.1	164.6	-179.6	0	0	0	0	106.1	F44 F49 F71 Y72 I73	F44-V80 WeakPolarHBondContact CB-O 3.46Å; F44-V80 WeakPolarHBondContact CD2-O 3.18Å; F44-V80 WeakPolarHBondContact CG-O 3.38Å; F49-V80 HydrophobicContact CD2-CG2 3.8Å; F49-V80 HydrophobicContact CE2-CB 3.49Å; F49-V80 VanDerWaalsContact CE2-CB 3.49Å; F49-V80 HydrophobicContact CE2-CG1 4.28Å; F49-V80 HydrophobicContact CE2-CG2 3.09Å; F49-V80 HydrophobicContact CZ-CB 3.8Å; F49-V80 HydrophobicContact CZ-CG1 4.07Å; F49-V80 HydrophobicContact CZ-CG2 3.51Å; F71-V80 HydrophobicContact CB-CG1 3.86Å; F71-V80 HydrophobicContact CD1-CG1 3.9Å; F71-V80 HydrophobicContact CG-CG1 4.21Å; Y72-V80 CarbonylContact O-C 3.5Å; Y72-V80 WeakPolarHBondContact O-CA 3.3Å; I73-V80 HydrophobicContact CB-CG2 4.4Å; I73-V80 HydrophobicContact CD1-CG1 4.31Å; I73-V80 HydrophobicContact CD1-CG2 3.59Å; I73-V80 HydrophobicContact CG1-CB 4.26Å; I73-V80 HydrophobicContact CG1-CG1 4Å; I73-V80 HydrophobicContact CG1-CG2 3.67Å; I73-V80 HydrophobicContact CG2-CG2 4.13Å
81	Q	52.7	Low	53.5	Low	112 Å²	112	75.4 Å²	75.4	52%	0.523	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.1	175	-69.3	178.7	-28.9	0	0	107.7	F71 Y72 L83	F71-Q81 CarbonylContact C-O 3.55Å; F71-Q81 VanDerWaalsContact CA-O 3.3Å; F71-Q81 WeakPolarHBondContact CA-O 3.22Å; Y72-Q81 PolarHBondContact N-O 3.32Å; Y72-Q81 PolarHBondContact O-N 2.96Å; Q81-L83 PolarHBondContact O-N 3.21Å
82	L	58.5	Low	53	Low	36 Å²	36	79 Å²	79	19%	0.188	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	112.8	165.9	178.5	69.2	0	0	0	107.3	I42 F44 F69 F71 I85	I42-L82 HydrophobicContact CD1-CD2 4.37Å; F44-L82 HydrophobicContact CE2-CB 4.3Å; F69-L82 HydrophobicContact CB-CD1 4.23Å; F69-L82 HydrophobicContact CD1-CD1 4.29Å; F71-L82 HydrophobicContact CD1-CB 4.06Å; F71-L82 HydrophobicContact CD1-CD1 3.82Å; F71-L82 HydrophobicContact CE1-CB 4.06Å; F71-L82 HydrophobicContact CE1-CD1 3.51Å; F71-L82 HydrophobicContact CE1-CG 4.32Å; F71-L82 HydrophobicContact CE2-CD1 4.41Å; F71-L82 HydrophobicContact CG-CD1 4.4Å; F71-L82 HydrophobicContact CZ-CD1 3.83Å; L82-I85 HydrophobicContact CD1-CG1 4.16Å; L82-I85 HydrophobicContact CD2-CD1 3.88Å; L82-I85 HydrophobicContact CD2-CG1 3.76Å; L82-I85 HydrophobicContact CG-CG1 4.31Å
83	L	57.8	Low	52.7	Low	98 Å²	98	76 Å²	76	51%	0.513	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	-53.7	178.1	-87.7	160	0	0	0	110.5	V70 Q81	V70-L83 HydrophobicContact CB-CB 4.44Å; V70-L83 HydrophobicContact CG1-CB 4.23Å; V70-L83 HydrophobicContact CG1-CD1 3.96Å; V70-L83 WeakPolarHBondContact O-CB 3.33Å; V70-L83 PolarHBondContact O-N 2.82Å; Q81-L83 PolarHBondContact O-N 3.21Å
84	Y	56.9	Low	52.1	Low	128 Å²	128	77.1 Å²	77.1	50%	0.502	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	159.2	176.5	63.5	-90.8	0	0	0	111.8	V70 A86	V70-Y84 HydrophobicContact CB-CD1 4Å; V70-Y84 HydrophobicContact CB-CD2 4.44Å; V70-Y84 HydrophobicContact CB-CE1 3.72Å; V70-Y84 HydrophobicContact CB-CE2 4.2Å; V70-Y84 HydrophobicContact CB-CG 4.35Å; V70-Y84 HydrophobicContact CG1-CD1 4.37Å; V70-Y84 HydrophobicContact CG1-CE1 3.85Å; V70-Y84 HydrophobicContact CG2-CD1 4.38Å; V70-Y84 HydrophobicContact CG2-CD2 4.17Å; V70-Y84 HydrophobicContact CG2-CE1 3.78Å; V70-Y84 HydrophobicContact CG2-CE2 3.55Å; V70-Y84 WeakPolarHBondContact CG2-OH 3.29Å; V70-Y84 PolarHBondContact N-O 3.02Å; Y84-A86 HydrophobicContact CD2-CB 4.15Å; Y84-A86 HydrophobicContact CE2-CB 4.11Å
85	I	60.6	Low	51.8	Low	65 Å²	65	82.3 Å²	82.3	33%	0.333	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.4	167.2	-53.2	176.2	0	0	0	106.6	I57 I68 F69 L82	I57-I85 HydrophobicContact CD1-CD1 4.41Å; I57-I85 HydrophobicContact CD1-CG2 4.44Å; I68-I85 CarbonylContact O-C 3.57Å; I68-I85 WeakPolarHBondContact O-CA 2.97Å; F69-I85 HydrophobicContact CD1-CD1 4.21Å; F69-I85 HydrophobicContact CD1-CG1 3.94Å; F69-I85 HydrophobicContact CD1-CG2 4.34Å; F69-I85 HydrophobicContact CE1-CD1 4.08Å; F69-I85 HydrophobicContact CE1-CG1 4.27Å; F69-I85 HydrophobicContact CE1-CG2 4.3Å; L82-I85 HydrophobicContact CD1-CG1 4.16Å; L82-I85 HydrophobicContact CD2-CD1 3.88Å; L82-I85 HydrophobicContact CD2-CG1 3.76Å; L82-I85 HydrophobicContact CG-CG1 4.31Å
86	A	55	Low	51.6	Low	32 Å²	32	84.2 Å²	84.2	26%	0.264	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.5	171.4	0	0	0	0	0	110.1	I68 Y84	I68-A86 HydrophobicContact CB-CB 4.22Å; I68-A86 PolarHBondContact N-O 2.78Å; I68-A86 PolarHBondContact O-N 3.04Å; Y84-A86 HydrophobicContact CD2-CB 4.15Å; Y84-A86 HydrophobicContact CE2-CB 4.11Å
87	I	61.2	Low	51.4	Low	91 Å²	91	85.6 Å²	85.6	47%	0.467	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	112.5	174.9	-49.3	-171	0	0	0	107.2	I65 L67	I65-I87 HydrophobicContact CB-CG2 4.29Å; I65-I87 HydrophobicContact CD1-CG2 3.71Å; I65-I87 HydrophobicContact CG2-CG2 4.34Å; L67-I87 HydrophobicContact CD2-CB 4.35Å; L67-I87 HydrophobicContact CD2-CD1 4.12Å; L67-I87 HydrophobicContact CD2-CG1 3.71Å; L67-I87 HydrophobicContact CD2-CG2 4.25Å
88	L	56.5	Low	51.1	Low	92 Å²	92	92 Å²	92	48%	0.482	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	110.4	171.7	-91.3	137.1	0	0	0	109.1	K66 I68	K66-L88 HydrophobicContact CB-CB 3.95Å; K66-L88 HydrophobicContact CD-CD1 4.37Å; K66-L88 PolarHBondContact N-O 3.21Å; K66-L88 VanDerWaalsContact N-O 3.07Å; K66-L88 PolarHBondContact O-N 2.67Å; I68-L88 HydrophobicContact CD1-CD1 3.25Å; I68-L88 HydrophobicContact CG1-CD1 3.99Å
89	L	55.3	Low	51.2	Low	72 Å²	72	87.4 Å²	87.4	38%	0.377	46%	0.456	S	S	.	.			trans	-85.7	140.9	170.2	-70	160.6	0	0	0	109.3	L61 I65 L91 T93 V94	L61-L89 HydrophobicContact CD1-CD2 3.33Å; L61-L89 HydrophobicContact CD2-CD2 3.81Å; L61-L89 HydrophobicContact CG-CD2 4.24Å; I65-L89 HydrophobicContact CG2-CD2 3.63Å; I65-L89 HydrophobicContact CG2-CG 4.43Å; L89-L91 PolarHBondContact O-N 3.48Å; L89-T93 HydrophobicContact CD2-CG2 4.26Å; L89-V94 HydrophobicContact CB-CG2 4.2Å
90	P	51.4	Low	51.5	Low	44 Å²	44	89.3 Å²	89.3	29%	0.286	47%	0.467	S	S	.	.			trans	-58.4	138	166.1	-8.3	16.2	0	0	0	109.5	P64 S92 T93	P64-P90 VanDerWaalsContact O-CD 3.3Å; P64-P90 WeakPolarHBondContact O-CD 3.29Å; P64-P90 VanDerWaalsContact O-CG 3.24Å; P64-P90 WeakPolarHBondContact O-CG 3.03Å; P90-S92 PolarHBondContact O-N 3.46Å; P90-T93 WeakPolarHBondContact CD-OG1 3.05Å; P90-T93 WeakPolarHBondContact O-CA 3.38Å; P90-T93 VanDerWaalsContact O-CB 3.27Å; P90-T93 WeakPolarHBondContact O-CB 3.3Å; P90-T93 PolarHBondContact O-N 3.39Å; P90-T93 PolarHBondContact O-OG1 3.31Å
91	L	53	Low	51.5	Low	148 Å²	148	93.7 Å²	93.7	78%	0.775	49%	0.49	S	S	*	.	H	α-helix	trans	-51	-35.3	-178.2	-117.7	114.9	0	0	0	113.3	L89 T93 V94 M95	L89-L91 PolarHBondContact O-N 3.48Å; L91-T93 PolarHBondContact O-N 3.13Å; L91-V94 PolarHBondContact O-N 3.05Å; L91-V94 VanDerWaalsContact O-N 3.07Å; L91-M95 PolarHBondContact O-N 3.36Å
92	S	51.1	Low	51.4	Low	86 Å²	86	92.6 Å²	92.6	60%	0.601	49%	0.488	S	S	*	.	H	α-helix	trans	-59.5	-28	176.1	53.3	0	0	0	0	113.7	P90 S96	P90-S92 PolarHBondContact O-N 3.46Å; S92-S96 PolarHBondContact O-OG 3.04Å
93	T	47.7	Very low	51	Low	11 Å²	11	96.2 Å²	96.2	7%	0.067	51%	0.507	C	S	.	.	H	α-helix	trans	-78.9	-28.2	177.7	-31.8	0	0	0	0	111.4	L61 T63 L89 P90 L91 S96 Y97	L61-T93 HydrophobicContact CD2-CG2 4.29Å; T63-T93 HydrophobicContact CG2-CG2 4.46Å; T63-T93 VanDerWaalsContact OG1-CG2 3.32Å; T63-T93 WeakPolarHBondContact OG1-CG2 3.22Å; T63-T93 PolarHBondContact OG1-OG1 3Å; L89-T93 HydrophobicContact CD2-CG2 4.26Å; P90-T93 WeakPolarHBondContact CD-OG1 3.05Å; P90-T93 WeakPolarHBondContact O-CA 3.38Å; P90-T93 VanDerWaalsContact O-CB 3.27Å; P90-T93 WeakPolarHBondContact O-CB 3.3Å; P90-T93 PolarHBondContact O-N 3.39Å; P90-T93 PolarHBondContact O-OG1 3.31Å; L91-T93 PolarHBondContact O-N 3.13Å; T93-S96 PolarHBondContact O-OG 2.73Å; T93-S96 VanDerWaalsContact O-OG 3.1Å; T93-Y97 HydrophobicContact CG2-CE2 4.34Å; T93-Y97 WeakPolarHBondContact O-CD2 3.46Å
94	V	45.4	Very low	50.5	Low	73 Å²	73	96.1 Å²	96.1	44%	0.442	51%	0.506	S	S	.	.	H	α-helix	trans	-77.3	-34.7	-179.9	-177.3	0	0	0	0	111	L89 L91 S96 Y97	L89-V94 HydrophobicContact CB-CG2 4.2Å; L91-V94 PolarHBondContact O-N 3.05Å; L91-V94 VanDerWaalsContact O-N 3.07Å; V94-S96 PolarHBondContact O-N 3.29Å; V94-Y97 PolarHBondContact O-N 3.1Å
95	M	42.6	Very low	50.1	Low	135 Å²	135	93.8 Å²	93.8	67%	0.665	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.2	177.6	-71.8	-96.3	121.4	0	0	113.9	L91	L91-M95 PolarHBondContact O-N 3.36Å
96	S	41.4	Very low	49.3	Very low	84 Å²	84	96 Å²	96	59%	0.587	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-8.2	179.7	12.1	0	0	0	0	113.8	S92 T93 V94	S92-S96 PolarHBondContact O-OG 3.04Å; T93-S96 PolarHBondContact O-OG 2.73Å; T93-S96 VanDerWaalsContact O-OG 3.1Å; V94-S96 PolarHBondContact O-N 3.29Å
97	Y	42.8	Very low	48.8	Very low	186 Å²	186	101.3 Å²	101.3	73%	0.729	54%	0.541	S	S	*	.			trans	-114	6.3	-178.8	-70.1	-81.4	0	0	0	113.9	T93 V94	T93-Y97 HydrophobicContact CG2-CE2 4.34Å; T93-Y97 WeakPolarHBondContact O-CD2 3.46Å; V94-Y97 PolarHBondContact O-N 3.1Å
98	L	37.4	Very low	47.7	Very low	194 Å²	194	102.3 Å²	102.3	100%	1.016	55%	0.548	S	S	*	.			trans	-107.1	0	171.4	-76	168.2	0	0	0	109.5

Retrieved 98 of 98 residues in 188.7 ms (Link to these results)

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