A0A077ZKU1_TRITR Loading...

Mitochondrial pyruvate carrier

Mediates the uptake of pyruvate into mitochondria.

AlphaFold DB , UniProt , Accession A0A077ZKU1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 138 aa.

						>A0A077ZKU1_TRITR|A0A077ZKU1
MERRFVSYVWRQMNASQREWFNYFLSTHFWGPVVNFGLPLASFNDMRHSPEIISGSMTLALACYSLAFMRFAWKVQPRNLLLLFCHTSNEIAQAIQGYRFLNYHYGWTLPGIKKYTFTFTLQYVSRPTFSAKNESTFN
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	67.5	Low	83.3	Confident	214 Å²	214	152.9 Å²	152.9	100%	1.054	68%	0.676	S	S	*	*				0	-45.3	0	-158.5	178.7	-71.7	0	0	110.9	R3 R4 F5	M1-R3 PolarHBondContact O-N 3.5Å; M1-R4 PolarHBondContact O-N 3.06Å; M1-F5 PolarHBondContact O-N 3.43Å
2	E	80.1	Confident	83.2	Confident	162 Å²	162	151.3 Å²	151.3	76%	0.757	67%	0.671	S	S	*	*	H	α-helix	trans	-56.4	-47.5	-178.3	-60.9	177.3	157.1	0	0	115.2	R4 F5 V6	E2-R4 VanDerWaalsContact C-N 3.25Å; E2-R4 PolarHBondContact O-N 3.28Å; E2-F5 WeakPolarHBondContact O-CB 3.31Å; E2-F5 PolarHBondContact O-N 2.92Å; E2-V6 WeakPolarHBondContact O-CG2 3.32Å; E2-V6 PolarHBondContact O-N 3.21Å
3	R	85.6	Confident	83	Confident	226 Å²	226	149.4 Å²	149.4	85%	0.853	67%	0.668	S	S	*	*	H	α-helix	trans	-57.3	-37.9	179.9	-67.2	-168.8	-122.3	-113.8	2.2	113.1	M1 S7	M1-R3 PolarHBondContact O-N 3.5Å; R3-S7 PolarHBondContact O-N 3.25Å; R3-S7 VanDerWaalsContact O-N 3.1Å; R3-S7 PolarHBondContact O-OG 3.16Å; R3-S7 VanDerWaalsContact O-OG 3.05Å
4	R	86.9	Confident	83	Confident	194 Å²	194	145.8 Å²	145.8	73%	0.732	66%	0.658	S	S	*	*	H	α-helix	trans	-67.4	-44	177.1	-70.1	-171.2	176.5	-159.9	-1.2	110.7	M1 E2 S7 Y8	M1-R4 PolarHBondContact O-N 3.06Å; E2-R4 VanDerWaalsContact C-N 3.25Å; E2-R4 PolarHBondContact O-N 3.28Å; R4-S7 PolarHBondContact O-N 2.82Å; R4-Y8 HydrophobicContact CB-CE2 4.43Å; R4-Y8 WeakPolarHBondContact O-CD2 3.46Å; R4-Y8 PolarHBondContact O-N 3.05Å
5	F	86.5	Confident	82.9	Confident	141 Å²	141	137.9 Å²	137.9	62%	0.618	63%	0.629	S	S	*	*	H	α-helix	trans	-59.6	-46.4	177.1	-179.7	-102.6	0	0	0	111.9	M1 E2 S7 Y8 V9	M1-F5 PolarHBondContact O-N 3.43Å; E2-F5 WeakPolarHBondContact O-CB 3.31Å; E2-F5 PolarHBondContact O-N 2.92Å; F5-S7 VanDerWaalsContact C-N 3.35Å; F5-S7 PolarHBondContact O-N 3.05Å; F5-Y8 WeakPolarHBondContact O-CB 3.08Å; F5-Y8 PolarHBondContact O-N 3.33Å; F5-Y8 VanDerWaalsContact O-N 3.15Å; F5-V9 HydrophobicContact CD1-CG2 4.22Å; F5-V9 HydrophobicContact CD2-CG2 4.43Å; F5-V9 HydrophobicContact CE1-CG2 3.8Å; F5-V9 HydrophobicContact CE2-CG2 4.03Å; F5-V9 HydrophobicContact CZ-CG2 3.7Å; F5-V9 WeakPolarHBondContact O-CG2 3.35Å; F5-V9 PolarHBondContact O-N 3.4Å
6	V	84.7	Confident	82.8	Confident	92 Å²	92	132.8 Å²	132.8	56%	0.558	61%	0.614	S	S	*	*	H	α-helix	trans	-60.8	-43	176.9	177.1	0	0	0	0	111.3	E2 Y8 V9 W10	E2-V6 WeakPolarHBondContact O-CG2 3.32Å; E2-V6 PolarHBondContact O-N 3.21Å; V6-Y8 VanDerWaalsContact C-N 3.33Å; V6-Y8 PolarHBondContact O-N 3.26Å; V6-V9 PolarHBondContact O-N 3.06Å; V6-W10 VanDerWaalsContact O-CB 3.24Å; V6-W10 WeakPolarHBondContact O-CB 3.23Å; V6-W10 PolarHBondContact O-N 3.08Å
7	S	85.5	Confident	82.7	Confident	80 Å²	80	133.4 Å²	133.4	56%	0.559	62%	0.617	S	S	*	*	H	α-helix	trans	-63.5	-36.1	175.6	-58.8	0	0	0	0	113.2	R3 R4 F5 R11	R3-S7 PolarHBondContact O-N 3.25Å; R3-S7 VanDerWaalsContact O-N 3.1Å; R3-S7 PolarHBondContact O-OG 3.16Å; R3-S7 VanDerWaalsContact O-OG 3.05Å; R4-S7 PolarHBondContact O-N 2.82Å; F5-S7 VanDerWaalsContact C-N 3.35Å; F5-S7 PolarHBondContact O-N 3.05Å; S7-R11 WeakPolarHBondContact O-CB 3.31Å; S7-R11 PolarHBondContact O-N 3.12Å
8	Y	84.1	Confident	82.6	Confident	159 Å²	159	137.3 Å²	137.3	62%	0.624	63%	0.626	S	S	*	*	H	α-helix	trans	-66.5	-49.2	174.8	-81.4	-65.9	0	0	0	111.9	R4 F5 V6 W10 R11 Q12	R4-Y8 HydrophobicContact CB-CE2 4.43Å; R4-Y8 WeakPolarHBondContact O-CD2 3.46Å; R4-Y8 PolarHBondContact O-N 3.05Å; F5-Y8 WeakPolarHBondContact O-CB 3.08Å; F5-Y8 PolarHBondContact O-N 3.33Å; F5-Y8 VanDerWaalsContact O-N 3.15Å; V6-Y8 VanDerWaalsContact C-N 3.33Å; V6-Y8 PolarHBondContact O-N 3.26Å; Y8-W10 PolarHBondContact O-N 3.18Å; Y8-R11 PolarHBondContact O-N 2.93Å; Y8-Q12 PolarHBondContact O-N 3.1Å
9	V	85.4	Confident	82.5	Confident	49 Å²	49	136 Å²	136	30%	0.297	62%	0.621	S	S	.	*	H	α-helix	trans	-60.9	-46.2	178	172	0	0	0	0	110.2	F5 V6 R11 Q12 M13	F5-V9 HydrophobicContact CD1-CG2 4.22Å; F5-V9 HydrophobicContact CD2-CG2 4.43Å; F5-V9 HydrophobicContact CE1-CG2 3.8Å; F5-V9 HydrophobicContact CE2-CG2 4.03Å; F5-V9 HydrophobicContact CZ-CG2 3.7Å; F5-V9 WeakPolarHBondContact O-CG2 3.35Å; F5-V9 PolarHBondContact O-N 3.4Å; V6-V9 PolarHBondContact O-N 3.06Å; V9-R11 VanDerWaalsContact C-N 3.3Å; V9-R11 PolarHBondContact O-N 3.4Å; V9-Q12 PolarHBondContact O-N 2.87Å; V9-Q12 VanDerWaalsContact O-N 3.13Å; V9-M13 HydrophobicContact CG1-CG 4.25Å; V9-M13 HydrophobicContact CG1-SD 3.64Å; V9-M13 VanDerWaalsContact O-CG 3.24Å; V9-M13 WeakPolarHBondContact O-CG 3.32Å; V9-M13 PolarHBondContact O-N 2.95Å
10	W	85.1	Confident	82.5	Confident	167 Å²	167	134.1 Å²	134.1	63%	0.633	61%	0.608	S	S	*	*	H	α-helix	trans	-61.1	-37.2	178	-165.4	-115.5	0	0	0	113	V6 Y8 M13 N14	V6-W10 VanDerWaalsContact O-CB 3.24Å; V6-W10 WeakPolarHBondContact O-CB 3.23Å; V6-W10 PolarHBondContact O-N 3.08Å; Y8-W10 PolarHBondContact O-N 3.18Å; W10-M13 HydrophobicContact CE3-SD 4.45Å; W10-N14 PolarHBondContact NE1-ND2 3.38Å; W10-N14 WeakPolarHBondContact O-CB 3.49Å; W10-N14 PolarHBondContact O-N 3.46Å; W10-N14 VanDerWaalsContact O-N 3.11Å; W10-N14 PolarHBondContact O-ND2 3.1Å
11	R	85	Confident	82.6	Confident	198 Å²	198	133.9 Å²	133.9	75%	0.747	61%	0.606	S	S	*	*	H	α-helix	trans	-68.7	-39	175	-173.3	179	-73.4	-161.2	-3.9	111.9	S7 Y8 V9 A15	S7-R11 WeakPolarHBondContact O-CB 3.31Å; S7-R11 PolarHBondContact O-N 3.12Å; Y8-R11 PolarHBondContact O-N 2.93Å; V9-R11 VanDerWaalsContact C-N 3.3Å; V9-R11 PolarHBondContact O-N 3.4Å; R11-A15 PolarHBondContact O-N 3.05Å; R11-A15 VanDerWaalsContact O-N 3.14Å
12	Q	81.5	Confident	83.3	Confident	133 Å²	133	128.9 Å²	128.9	62%	0.621	58%	0.584	S	S	*	*	H	α-helix	trans	-66.7	-41	175.6	-77.4	-172.7	-21.5	0	0	112.1	Y8 V9 N14 A15	Y8-Q12 PolarHBondContact O-N 3.1Å; V9-Q12 PolarHBondContact O-N 2.87Å; V9-Q12 VanDerWaalsContact O-N 3.13Å; Q12-N14 VanDerWaalsContact C-N 3.33Å; Q12-N14 PolarHBondContact O-N 2.86Å; Q12-A15 WeakPolarHBondContact O-CB 3.09Å; Q12-A15 PolarHBondContact O-N 2.76Å
13	M	80.6	Confident	83.2	Confident	127 Å²	127	127.1 Å²	127.1	63%	0.626	57%	0.571	S	S	*	*	H	α-helix	trans	-67.9	-32.8	179.1	-65	172.6	79.5	0	0	112.6	V9 W10	V9-M13 HydrophobicContact CG1-CG 4.25Å; V9-M13 HydrophobicContact CG1-SD 3.64Å; V9-M13 VanDerWaalsContact O-CG 3.24Å; V9-M13 WeakPolarHBondContact O-CG 3.32Å; V9-M13 PolarHBondContact O-N 2.95Å; W10-M13 HydrophobicContact CE3-SD 4.45Å
14	N	83.6	Confident	82.9	Confident	99 Å²	99	120.6 Å²	120.6	53%	0.529	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	10.5	177.6	-69.8	-61.6	0	0	0	113.9	W10 Q12	W10-N14 PolarHBondContact NE1-ND2 3.38Å; W10-N14 WeakPolarHBondContact O-CB 3.49Å; W10-N14 PolarHBondContact O-N 3.46Å; W10-N14 VanDerWaalsContact O-N 3.11Å; W10-N14 PolarHBondContact O-ND2 3.1Å; Q12-N14 VanDerWaalsContact C-N 3.33Å; Q12-N14 PolarHBondContact O-N 2.86Å
15	A	81.6	Confident	82.6	Confident	28 Å²	28	117.8 Å²	117.8	23%	0.231	55%	0.548	C	S	.	.			trans	-62.9	140.8	173.6	0	0	0	0	0	110.1	R11 Q12 E19	R11-A15 PolarHBondContact O-N 3.05Å; R11-A15 VanDerWaalsContact O-N 3.14Å; Q12-A15 WeakPolarHBondContact O-CB 3.09Å; Q12-A15 PolarHBondContact O-N 2.76Å; A15-E19 HydrophobicContact CB-CB 4.42Å
16	S	81.1	Confident	82.1	Confident	56 Å²	56	113 Å²	113	39%	0.392	53%	0.532	S	S	.	.			trans	-64.3	152.7	-178.1	66.9	0	0	0	0	111.4	R18 E19 W20	S16-R18 PolarHBondContact O-N 3.06Å; S16-R18 VanDerWaalsContact O-N 3.11Å; S16-E19 WeakPolarHBondContact CB-OE2 2.99Å; S16-E19 PolarHBondContact N-OE2 3.34Å; S16-E19 PolarHBondContact O-N 3.49Å; S16-E19 VanDerWaalsContact OG-CG 3.31Å; S16-E19 WeakPolarHBondContact OG-CG 3.26Å; S16-E19 PolarHBondContact OG-N 2.83Å; S16-E19 PolarHBondContact OG-OE2 2.98Å; S16-W20 PolarHBondContact O-N 3.26Å; S16-W20 VanDerWaalsContact O-N 3.13Å
17	Q	80.6	Confident	81.6	Confident	142 Å²	142	114 Å²	114	66%	0.664	54%	0.538	S	S	*	.	H	α-helix	trans	-52.7	-36.1	175.4	-67.3	-65.1	-50.6	0	0	111.9	W20 F21	Q17-W20 PolarHBondContact O-N 3.19Å; Q17-F21 VanDerWaalsContact O-CD2 3.29Å; Q17-F21 WeakPolarHBondContact O-CD2 3.48Å; Q17-F21 PolarHBondContact O-N 3.37Å
18	R	81.5	Confident	81	Confident	205 Å²	205	116.9 Å²	116.9	77%	0.774	54%	0.543	S	S	*	.	H	α-helix	trans	-65.4	-40.1	177.3	-69.4	-179.4	178.1	157.4	-0.7	113	S16 W20 F21 N22	S16-R18 PolarHBondContact O-N 3.06Å; S16-R18 VanDerWaalsContact O-N 3.11Å; R18-W20 VanDerWaalsContact C-N 3.35Å; R18-F21 PolarHBondContact O-N 3.49Å; R18-N22 WeakPolarHBondContact O-CB 3.38Å; R18-N22 PolarHBondContact O-N 3.16Å; R18-N22 PolarHBondContact O-ND2 3.49Å
19	E	81.4	Confident	80.6	Confident	112 Å²	112	111.9 Å²	111.9	52%	0.523	52%	0.524	S	S	.	.	H	α-helix	trans	-65.7	-40.3	175.8	-73	163.6	139.2	0	0	111.2	A15 S16 N22 Y23	A15-E19 HydrophobicContact CB-CB 4.42Å; S16-E19 WeakPolarHBondContact CB-OE2 2.99Å; S16-E19 PolarHBondContact N-OE2 3.34Å; S16-E19 PolarHBondContact O-N 3.49Å; S16-E19 VanDerWaalsContact OG-CG 3.31Å; S16-E19 WeakPolarHBondContact OG-CG 3.26Å; S16-E19 PolarHBondContact OG-N 2.83Å; S16-E19 PolarHBondContact OG-OE2 2.98Å; E19-N22 PolarHBondContact O-N 3.43Å; E19-Y23 WeakPolarHBondContact O-CB 3.11Å; E19-Y23 PolarHBondContact O-N 3.47Å
20	W	81.7	Confident	80.2	Confident	97 Å²	97	116.1 Å²	116.1	37%	0.367	54%	0.535	S	S	.	.	H	α-helix	trans	-62.6	-47.3	172.3	-79.8	102.6	0	0	0	112.3	S16 Q17 R18 N22 Y23 F24	S16-W20 PolarHBondContact O-N 3.26Å; S16-W20 VanDerWaalsContact O-N 3.13Å; Q17-W20 PolarHBondContact O-N 3.19Å; R18-W20 VanDerWaalsContact C-N 3.35Å; W20-N22 VanDerWaalsContact C-N 3.34Å; W20-N22 PolarHBondContact O-N 3.15Å; W20-Y23 WeakPolarHBondContact O-CA 3.35Å; W20-Y23 WeakPolarHBondContact O-CB 3.49Å; W20-Y23 PolarHBondContact O-N 3.45Å; W20-Y23 VanDerWaalsContact O-N 3.1Å; W20-F24 HydrophobicContact CB-CE2 4.47Å; W20-F24 HydrophobicContact CE3-CE2 4.05Å; W20-F24 HydrophobicContact CE3-CZ 4.4Å; W20-F24 WeakPolarHBondContact O-CD2 3.32Å; W20-F24 PolarHBondContact O-N 2.99Å
21	F	84.4	Confident	79.7	Confident	130 Å²	130	109.5 Å²	109.5	57%	0.57	52%	0.519	S	S	*	.	H	α-helix	trans	-59.9	-43.4	175.3	-92.9	-75	0	0	0	112.1	Q17 R18 Y23 F24 L25	Q17-F21 VanDerWaalsContact O-CD2 3.29Å; Q17-F21 WeakPolarHBondContact O-CD2 3.48Å; Q17-F21 PolarHBondContact O-N 3.37Å; R18-F21 PolarHBondContact O-N 3.49Å; F21-Y23 VanDerWaalsContact C-N 3.27Å; F21-Y23 PolarHBondContact O-N 3.29Å; F21-F24 PolarHBondContact O-N 3.43Å; F21-L25 WeakPolarHBondContact O-CB 3.02Å; F21-L25 VanDerWaalsContact O-CG 3.31Å; F21-L25 WeakPolarHBondContact O-CG 3.49Å; F21-L25 PolarHBondContact O-N 3.15Å
22	N	81.8	Confident	79.1	Confident	110 Å²	110	103.3 Å²	103.3	59%	0.588	50%	0.504	S	S	*	.	H	α-helix	trans	-63.2	-34.7	174.7	-72.1	-23.3	0	0	0	111.9	R18 E19 W20 S26	R18-N22 WeakPolarHBondContact O-CB 3.38Å; R18-N22 PolarHBondContact O-N 3.16Å; R18-N22 PolarHBondContact O-ND2 3.49Å; E19-N22 PolarHBondContact O-N 3.43Å; W20-N22 VanDerWaalsContact C-N 3.34Å; W20-N22 PolarHBondContact O-N 3.15Å; N22-S26 VanDerWaalsContact O-CB 3.23Å; N22-S26 WeakPolarHBondContact O-CB 3.31Å; N22-S26 PolarHBondContact O-N 3.05Å
23	Y	77.7	Confident	78.8	Confident	124 Å²	124	100 Å²	100	49%	0.486	49%	0.493	S	S	.	.	H	α-helix	trans	-66.4	-46	173.9	-175.3	-100.5	0	0	0	111.7	E19 W20 F21 L25 S26 F29	E19-Y23 WeakPolarHBondContact O-CB 3.11Å; E19-Y23 PolarHBondContact O-N 3.47Å; W20-Y23 WeakPolarHBondContact O-CA 3.35Å; W20-Y23 WeakPolarHBondContact O-CB 3.49Å; W20-Y23 PolarHBondContact O-N 3.45Å; W20-Y23 VanDerWaalsContact O-N 3.1Å; F21-Y23 VanDerWaalsContact C-N 3.27Å; F21-Y23 PolarHBondContact O-N 3.29Å; Y23-L25 VanDerWaalsContact C-N 3.34Å; Y23-L25 PolarHBondContact O-N 3.3Å; Y23-S26 WeakPolarHBondContact O-CB 3.4Å; Y23-S26 PolarHBondContact O-N 3.01Å; Y23-F29 HydrophobicContact CD1-CB 4.41Å; Y23-F29 HydrophobicContact CD1-CD2 4.23Å; Y23-F29 HydrophobicContact CE1-CB 4.3Å; Y23-F29 AromaticContact CE1-CD2 3.85Å; Y23-F29 HydrophobicContact CE1-CD2 3.85Å; Y23-F29 WeakPolarHBondContact O-CB 3.33Å
24	F	81.2	Confident	78.5	Confident	90 Å²	90	97.6 Å²	97.6	40%	0.395	49%	0.485	S	S	.	.	H	α-helix	trans	-64.8	-34.4	175.9	-75	-64.6	0	0	0	113.4	W20 F21 S26 F29 W30	W20-F24 HydrophobicContact CB-CE2 4.47Å; W20-F24 HydrophobicContact CE3-CE2 4.05Å; W20-F24 HydrophobicContact CE3-CZ 4.4Å; W20-F24 WeakPolarHBondContact O-CD2 3.32Å; W20-F24 PolarHBondContact O-N 2.99Å; F21-F24 PolarHBondContact O-N 3.43Å; F24-S26 VanDerWaalsContact C-N 3.32Å; F24-F29 AromaticContact CD1-CD1 3.9Å; F24-F29 HydrophobicContact CD1-CD1 3.9Å; F24-F29 AromaticContact CD1-CD2 3.84Å; F24-F29 HydrophobicContact CD1-CD2 3.84Å; F24-F29 AromaticContact CD1-CE1 3.68Å; F24-F29 HydrophobicContact CD1-CE1 3.68Å; F24-F29 AromaticContact CD1-CE2 3.61Å; F24-F29 HydrophobicContact CD1-CE2 3.61Å; F24-F29 AromaticContact CD1-CG 3.98Å; F24-F29 HydrophobicContact CD1-CG 3.98Å; F24-F29 AromaticContact CD1-CZ 3.53Å; F24-F29 HydrophobicContact CD1-CZ 3.53Å; F24-F29 HydrophobicContact CE1-CD2 4.07Å; F24-F29 HydrophobicContact CE1-CE1 4.21Å; F24-F29 AromaticContact CE1-CE2 3.49Å; F24-F29 HydrophobicContact CE1-CE2 3.49Å; F24-F29 VanDerWaalsContact CE1-CE2 3.49Å; F24-F29 AromaticContact CE1-CZ 3.58Å; F24-F29 HydrophobicContact CE1-CZ 3.58Å; F24-W30 PolarHBondContact O-NE1 2.86Å
25	L	78.7	Confident	77.9	Confident	134 Å²	134	94.3 Å²	94.3	70%	0.702	47%	0.468	S	S	*	.	H	α-helix	trans	-83.5	-10	175.9	-66.2	174	0	0	0	112.9	F21 Y23	F21-L25 WeakPolarHBondContact O-CB 3.02Å; F21-L25 VanDerWaalsContact O-CG 3.31Å; F21-L25 WeakPolarHBondContact O-CG 3.49Å; F21-L25 PolarHBondContact O-N 3.15Å; Y23-L25 VanDerWaalsContact C-N 3.34Å; Y23-L25 PolarHBondContact O-N 3.3Å
26	S	77.7	Confident	77.3	Confident	40 Å²	40	99.4 Å²	99.4	28%	0.28	49%	0.485	S	S	.	.	S	Bend	trans	-75.6	143.4	174.8	-177.1	0	0	0	0	110.6	N22 Y23 F24 H28 F29	N22-S26 VanDerWaalsContact O-CB 3.23Å; N22-S26 WeakPolarHBondContact O-CB 3.31Å; N22-S26 PolarHBondContact O-N 3.05Å; Y23-S26 WeakPolarHBondContact O-CB 3.4Å; Y23-S26 PolarHBondContact O-N 3.01Å; F24-S26 VanDerWaalsContact C-N 3.32Å; S26-H28 PolarHBondContact O-N 3.33Å; S26-H28 VanDerWaalsContact O-N 3.08Å; S26-H28 PolarHBondContact OG-N 3.44Å; S26-F29 PolarHBondContact O-N 3.06Å
27	T	73.8	Confident	76.9	Confident	114 Å²	114	98.3 Å²	98.3	70%	0.699	48%	0.482	S	S	*	.	H	α-helix	trans	-58.7	-20.4	173.1	48.7	0	0	0	0	112.6	F29 G31	T27-F29 VanDerWaalsContact C-N 3.32Å; T27-F29 PolarHBondContact O-N 3.28Å; T27-G31 PolarHBondContact O-N 3.21Å
28	H	72	Confident	76.4	Confident	140 Å²	140	95 Å²	95	65%	0.648	47%	0.469	S	S	*	.	H	α-helix	trans	-67	-28.3	175.5	-77.7	-85.8	0	0	0	113.9	S26 P32	S26-H28 PolarHBondContact O-N 3.33Å; S26-H28 VanDerWaalsContact O-N 3.08Å; S26-H28 PolarHBondContact OG-N 3.44Å; H28-P32 WeakPolarHBondContact O-CD 3.35Å
29	F	77.3	Confident	75.8	Confident	54 Å²	54	85.6 Å²	85.6	24%	0.237	43%	0.434	C	S	.	.	H	α-helix	trans	-81.7	-48.9	174.8	175.2	-97.1	0	0	0	111.5	Y23 F24 S26 T27 G31 P32 V33	Y23-F29 HydrophobicContact CD1-CB 4.41Å; Y23-F29 HydrophobicContact CD1-CD2 4.23Å; Y23-F29 HydrophobicContact CE1-CB 4.3Å; Y23-F29 AromaticContact CE1-CD2 3.85Å; Y23-F29 HydrophobicContact CE1-CD2 3.85Å; Y23-F29 WeakPolarHBondContact O-CB 3.33Å; F24-F29 AromaticContact CD1-CD1 3.9Å; F24-F29 HydrophobicContact CD1-CD1 3.9Å; F24-F29 AromaticContact CD1-CD2 3.84Å; F24-F29 HydrophobicContact CD1-CD2 3.84Å; F24-F29 AromaticContact CD1-CE1 3.68Å; F24-F29 HydrophobicContact CD1-CE1 3.68Å; F24-F29 AromaticContact CD1-CE2 3.61Å; F24-F29 HydrophobicContact CD1-CE2 3.61Å; F24-F29 AromaticContact CD1-CG 3.98Å; F24-F29 HydrophobicContact CD1-CG 3.98Å; F24-F29 AromaticContact CD1-CZ 3.53Å; F24-F29 HydrophobicContact CD1-CZ 3.53Å; F24-F29 HydrophobicContact CE1-CD2 4.07Å; F24-F29 HydrophobicContact CE1-CE1 4.21Å; F24-F29 AromaticContact CE1-CE2 3.49Å; F24-F29 HydrophobicContact CE1-CE2 3.49Å; F24-F29 VanDerWaalsContact CE1-CE2 3.49Å; F24-F29 AromaticContact CE1-CZ 3.58Å; F24-F29 HydrophobicContact CE1-CZ 3.58Å; S26-F29 PolarHBondContact O-N 3.06Å; T27-F29 VanDerWaalsContact C-N 3.32Å; T27-F29 PolarHBondContact O-N 3.28Å; F29-G31 VanDerWaalsContact C-N 3.28Å; F29-G31 PolarHBondContact O-N 3.4Å; F29-P32 WeakPolarHBondContact O-CD 3.17Å; F29-V33 HydrophobicContact CD1-CG2 4.29Å; F29-V33 HydrophobicContact CE1-CG2 3.78Å; F29-V33 HydrophobicContact CE2-CG2 4.32Å; F29-V33 HydrophobicContact CZ-CG2 3.8Å; F29-V33 WeakPolarHBondContact O-CG2 3.5Å; F29-V33 PolarHBondContact O-N 3.27Å
30	W	76.4	Confident	75.4	Confident	138 Å²	138	86 Å²	86	52%	0.523	44%	0.439	S	S	.	.	H	α-helix	trans	-68.7	-26.1	-177.6	-73.2	103.1	0	0	0	113.3	F24 V33 V34	F24-W30 PolarHBondContact O-NE1 2.86Å; W30-V33 HydrophobicContact CE3-CB 4.21Å; W30-V33 HydrophobicContact CE3-CG1 3.96Å; W30-V33 HydrophobicContact CZ3-CG1 3.95Å; W30-V33 PolarHBondContact O-N 2.9Å; W30-V34 WeakPolarHBondContact O-CB 3.37Å; W30-V34 VanDerWaalsContact O-CG2 3.24Å; W30-V34 WeakPolarHBondContact O-CG2 3.4Å; W30-V34 PolarHBondContact O-N 3.37Å
31	G	74.2	Confident	75	Confident	28 Å²	28	84.1 Å²	84.1	29%	0.289	44%	0.444	S	S	.	.	H	α-helix	trans	-51	-67.6	174.3	0	0	0	0	0	111.6	T27 F29 V33 V34 N35	T27-G31 PolarHBondContact O-N 3.21Å; F29-G31 VanDerWaalsContact C-N 3.28Å; F29-G31 PolarHBondContact O-N 3.4Å; G31-V33 VanDerWaalsContact C-N 3.31Å; G31-V33 PolarHBondContact O-N 3.11Å; G31-V34 PolarHBondContact O-N 3.13Å; G31-N35 VanDerWaalsContact C-ND2 3.3Å; G31-N35 PolarHBondContact O-N 2.84Å; G31-N35 PolarHBondContact O-ND2 3.47Å
32	P	71.8	Confident	74.3	Confident	69 Å²	69	78.4 Å²	78.4	45%	0.448	42%	0.42	S	S	.	.	H	α-helix	trans	-52.9	-43.1	175.7	-27.8	34.6	0	0	0	114.2	H28 F29 N35 F36	H28-P32 WeakPolarHBondContact O-CD 3.35Å; F29-P32 WeakPolarHBondContact O-CD 3.17Å; P32-N35 PolarHBondContact O-N 2.85Å; P32-F36 VanDerWaalsContact O-CD2 3.27Å; P32-F36 WeakPolarHBondContact O-CD2 3.08Å; P32-F36 PolarHBondContact O-N 2.89Å
33	V	75.6	Confident	73.6	Confident	62 Å²	62	77.4 Å²	77.4	38%	0.376	41%	0.411	S	S	.	.	H	α-helix	trans	-62.3	-46.6	-178.5	173.7	0	0	0	0	111.7	F29 W30 G31 N35 F36 G37	F29-V33 HydrophobicContact CD1-CG2 4.29Å; F29-V33 HydrophobicContact CE1-CG2 3.78Å; F29-V33 HydrophobicContact CE2-CG2 4.32Å; F29-V33 HydrophobicContact CZ-CG2 3.8Å; F29-V33 WeakPolarHBondContact O-CG2 3.5Å; F29-V33 PolarHBondContact O-N 3.27Å; W30-V33 HydrophobicContact CE3-CB 4.21Å; W30-V33 HydrophobicContact CE3-CG1 3.96Å; W30-V33 HydrophobicContact CZ3-CG1 3.95Å; W30-V33 PolarHBondContact O-N 2.9Å; G31-V33 VanDerWaalsContact C-N 3.31Å; G31-V33 PolarHBondContact O-N 3.11Å; V33-N35 VanDerWaalsContact C-N 3.31Å; V33-N35 PolarHBondContact O-N 3.45Å; V33-F36 PolarHBondContact O-N 3.42Å; V33-G37 PolarHBondContact O-N 2.87Å
34	V	74.3	Confident	73.3	Confident	77 Å²	77	75.5 Å²	75.5	47%	0.467	41%	0.409	S	S	.	.	H	α-helix	trans	-64.6	-39.4	177.5	172.2	0	0	0	0	110.5	W30 G31 F36 G37 L38	W30-V34 WeakPolarHBondContact O-CB 3.37Å; W30-V34 VanDerWaalsContact O-CG2 3.24Å; W30-V34 WeakPolarHBondContact O-CG2 3.4Å; W30-V34 PolarHBondContact O-N 3.37Å; G31-V34 PolarHBondContact O-N 3.13Å; V34-F36 VanDerWaalsContact C-N 3.32Å; V34-F36 PolarHBondContact O-N 3Å; V34-G37 PolarHBondContact O-N 3.32Å; V34-L38 HydrophobicContact CG1-CD1 4.25Å; V34-L38 HydrophobicContact CG1-CG 4.47Å; V34-L38 WeakPolarHBondContact O-CG 3.46Å; V34-L38 PolarHBondContact O-N 3.32Å
35	N	70.7	Confident	72.5	Confident	30 Å²	30	74.8 Å²	74.8	16%	0.16	41%	0.409	C	S	.	.	H	α-helix	trans	-66.1	-31.8	179	-61.3	-39	0	0	0	113.8	G31 P32 V33 P39 L81	G31-N35 VanDerWaalsContact C-ND2 3.3Å; G31-N35 PolarHBondContact O-N 2.84Å; G31-N35 PolarHBondContact O-ND2 3.47Å; P32-N35 PolarHBondContact O-N 2.85Å; V33-N35 VanDerWaalsContact C-N 3.31Å; V33-N35 PolarHBondContact O-N 3.45Å; N35-P39 WeakPolarHBondContact O-CD 3.45Å; N35-P39 WeakPolarHBondContact O-CG 3.43Å; N35-L81 HydrophobicContact CB-CB 4.4Å; N35-L81 HydrophobicContact CB-CD2 3.85Å; N35-L81 WeakPolarHBondContact ND2-CD1 3.21Å; N35-L81 VanDerWaalsContact ND2-CD2 3.27Å; N35-L81 WeakPolarHBondContact ND2-CD2 3.34Å; N35-L81 WeakPolarHBondContact ND2-CG 3.17Å
36	F	69.6	Low	71.7	Confident	136 Å²	136	70.5 Å²	70.5	60%	0.596	39%	0.387	S	S	*	.	H	α-helix	trans	-83.6	-30.4	171.7	-80.3	-70.9	0	0	0	112.5	P32 V33 V34 L38 P39 L40 F84	P32-F36 VanDerWaalsContact O-CD2 3.27Å; P32-F36 WeakPolarHBondContact O-CD2 3.08Å; P32-F36 PolarHBondContact O-N 2.89Å; V33-F36 PolarHBondContact O-N 3.42Å; V34-F36 VanDerWaalsContact C-N 3.32Å; V34-F36 PolarHBondContact O-N 3Å; F36-L38 VanDerWaalsContact C-N 3.35Å; F36-L38 PolarHBondContact O-N 3.33Å; F36-P39 WeakPolarHBondContact O-CD 3.24Å; F36-L40 WeakPolarHBondContact O-CG 3.24Å; F36-L40 PolarHBondContact O-N 2.78Å; F36-F84 HydrophobicContact CD1-CE1 4.4Å; F36-F84 HydrophobicContact CE1-CE1 4.47Å
37	G	72.2	Confident	70.7	Confident	32 Å²	32	76.8 Å²	76.8	33%	0.33	40%	0.404	S	S	.	.	H	α-helix	trans	-63.6	-37.6	176.7	0	0	0	0	0	112.8	V33 V34 L40 A41	V33-G37 PolarHBondContact O-N 2.87Å; V34-G37 PolarHBondContact O-N 3.32Å; G37-L40 PolarHBondContact O-N 3.06Å; G37-A41 WeakPolarHBondContact O-CB 3.37Å; G37-A41 PolarHBondContact O-N 3.3Å
38	L	69.9	Low	70	Confident	74 Å²	74	76.1 Å²	76.1	39%	0.387	39%	0.393	S	S	.	.	H	α-helix	trans	-62.1	-50.9	179.2	-71.5	167.5	0	0	0	113.2	V34 F36 L40 A41 S42 C85	V34-L38 HydrophobicContact CG1-CD1 4.25Å; V34-L38 HydrophobicContact CG1-CG 4.47Å; V34-L38 WeakPolarHBondContact O-CG 3.46Å; V34-L38 PolarHBondContact O-N 3.32Å; F36-L38 VanDerWaalsContact C-N 3.35Å; F36-L38 PolarHBondContact O-N 3.33Å; L38-L40 PolarHBondContact O-N 3.49Å; L38-A41 PolarHBondContact O-N 3.48Å; L38-S42 PolarHBondContact O-N 3.36Å; L38-C85 HydrophobicContact CB-CB 4.25Å; L38-C85 HydrophobicContact CD1-CB 4.27Å
39	P	69.2	Low	69	Low	6 Å²	6	73.2 Å²	73.2	4%	0.039	39%	0.388	C	S	.	.	H	α-helix	trans	-56.5	-44.2	168.7	-26.2	30.5	0	0	0	113.6	N35 F36 A41 S42 F43 F84	N35-P39 WeakPolarHBondContact O-CD 3.45Å; N35-P39 WeakPolarHBondContact O-CG 3.43Å; F36-P39 WeakPolarHBondContact O-CD 3.24Å; P39-A41 VanDerWaalsContact C-N 3.29Å; P39-A41 PolarHBondContact O-N 3.14Å; P39-S42 PolarHBondContact O-N 3.42Å; P39-S42 PolarHBondContact O-OG 2.79Å; P39-F43 HydrophobicContact CB-CE2 4.5Å; P39-F43 WeakPolarHBondContact O-CD2 3.36Å; P39-F43 PolarHBondContact O-N 3.49Å; P39-F84 HydrophobicContact CB-CE1 4.03Å; P39-F84 HydrophobicContact CB-CZ 4.49Å; P39-F84 HydrophobicContact CG-CD1 3.54Å; P39-F84 HydrophobicContact CG-CE1 3.3Å; P39-F84 HydrophobicContact CG-CZ 4.16Å
40	L	73.5	Confident	67.9	Low	120 Å²	120	72.8 Å²	72.8	63%	0.628	39%	0.391	S	S	*	.	H	α-helix	trans	-62.9	-39.1	178.6	-76.2	171.7	0	0	0	111.6	F36 G37 L38 F43 N44	F36-L40 WeakPolarHBondContact O-CG 3.24Å; F36-L40 PolarHBondContact O-N 2.78Å; G37-L40 PolarHBondContact O-N 3.06Å; L38-L40 PolarHBondContact O-N 3.49Å; L40-F43 PolarHBondContact O-N 3.09Å; L40-N44 WeakPolarHBondContact O-CB 3.33Å; L40-N44 PolarHBondContact O-N 3.34Å
41	A	73.6	Confident	66.6	Low	58 Å²	58	73.8 Å²	73.8	48%	0.479	40%	0.401	S	S	.	.	H	α-helix	trans	-64.3	-41.3	173.7	0	0	0	0	0	111.4	G37 L38 P39 F43 N44 D45	G37-A41 WeakPolarHBondContact O-CB 3.37Å; G37-A41 PolarHBondContact O-N 3.3Å; L38-A41 PolarHBondContact O-N 3.48Å; P39-A41 VanDerWaalsContact C-N 3.29Å; P39-A41 PolarHBondContact O-N 3.14Å; A41-F43 PolarHBondContact O-N 3.11Å; A41-N44 PolarHBondContact O-N 3.24Å; A41-D45 PolarHBondContact O-N 2.94Å
42	S	68.2	Low	65.8	Low	10 Å²	10	78.7 Å²	78.7	7%	0.07	42%	0.42	C	S	.	.	H	α-helix	trans	-65.2	-39.1	176.9	87.3	0	0	0	0	112.4	L38 P39 D45 M46 S88 N89 A92	L38-S42 PolarHBondContact O-N 3.36Å; P39-S42 PolarHBondContact O-N 3.42Å; P39-S42 PolarHBondContact O-OG 2.79Å; S42-D45 PolarHBondContact O-N 2.91Å; S42-M46 PolarHBondContact O-N 2.87Å; S42-S88 PolarHBondContact OG-O 2.9Å; S42-N89 WeakPolarHBondContact CB-OD1 3.28Å; S42-A92 WeakPolarHBondContact O-CB 3.29Å
43	F	68.9	Low	65.2	Low	89 Å²	89	76.3 Å²	76.3	39%	0.39	40%	0.403	S	S	.	.	H	α-helix	trans	-66.8	-36.7	172.4	-77.2	-63.3	0	0	0	112.2	P39 L40 A41 D45 M46	P39-F43 HydrophobicContact CB-CE2 4.5Å; P39-F43 WeakPolarHBondContact O-CD2 3.36Å; P39-F43 PolarHBondContact O-N 3.49Å; L40-F43 PolarHBondContact O-N 3.09Å; A41-F43 PolarHBondContact O-N 3.11Å; F43-D45 VanDerWaalsContact C-N 3.35Å; F43-M46 HydrophobicContact CB-CE 4.34Å; F43-M46 HydrophobicContact CD1-CE 3.53Å; F43-M46 HydrophobicContact CD1-SD 4.05Å; F43-M46 HydrophobicContact CE1-CE 4.36Å; F43-M46 HydrophobicContact CG-CE 4.43Å; F43-M46 WeakPolarHBondContact O-CB 3.27Å; F43-M46 PolarHBondContact O-N 3.26Å
44	N	69.7	Low	64.7	Low	84 Å²	84	76.2 Å²	76.2	45%	0.449	41%	0.405	S	S	.	.	H	α-helix	trans	-68.4	-35.2	175.8	-170.1	60.1	0	0	0	111.9	L40 A41 M46 R47	L40-N44 WeakPolarHBondContact O-CB 3.33Å; L40-N44 PolarHBondContact O-N 3.34Å; A41-N44 PolarHBondContact O-N 3.24Å; N44-M46 PolarHBondContact O-N 3.26Å; N44-R47 VanDerWaalsContact O-CB 3.29Å; N44-R47 WeakPolarHBondContact O-CB 3.42Å; N44-R47 WeakPolarHBondContact O-CG 3.27Å; N44-R47 PolarHBondContact O-N 3.01Å
45	D	65.6	Low	64.1	Low	75 Å²	75	73.5 Å²	73.5	40%	0.401	39%	0.392	S	S	.	.	H	α-helix	trans	-61.9	-26.7	177	-168.7	67.2	0	0	0	112.7	A41 S42 F43 R47 H48 Q96	A41-D45 PolarHBondContact O-N 2.94Å; S42-D45 PolarHBondContact O-N 2.91Å; F43-D45 VanDerWaalsContact C-N 3.35Å; D45-R47 PolarHBondContact O-N 3.13Å; D45-H48 PolarHBondContact O-CD2 3.34Å; D45-H48 PolarHBondContact O-N 2.85Å; D45-H48 IonicContact OD1-CD2 3.35Å; D45-H48 PolarHBondContact OD1-CD2 2.97Å; D45-H48 IonicContact OD1-NE2 3.93Å; D45-Q96 PolarHBondContact O-NE2 3.41Å; D45-Q96 PolarHBondContact OD2-NE2 3.32Å
46	M	60.8	Low	64.1	Low	45 Å²	45	76.7 Å²	76.7	22%	0.222	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.1	173.9	-55.9	-171.5	-46.2	0	0	114.2	S42 F43 N44 H48 A92 I95 R99	S42-M46 PolarHBondContact O-N 2.87Å; F43-M46 HydrophobicContact CB-CE 4.34Å; F43-M46 HydrophobicContact CD1-CE 3.53Å; F43-M46 HydrophobicContact CD1-SD 4.05Å; F43-M46 HydrophobicContact CE1-CE 4.36Å; F43-M46 HydrophobicContact CG-CE 4.43Å; F43-M46 WeakPolarHBondContact O-CB 3.27Å; F43-M46 PolarHBondContact O-N 3.26Å; N44-M46 PolarHBondContact O-N 3.26Å; M46-H48 VanDerWaalsContact C-N 3.32Å; M46-A92 HydrophobicContact CG-CB 3.7Å; M46-A92 HydrophobicContact SD-CB 3.94Å; M46-I95 HydrophobicContact SD-CB 4.39Å; M46-I95 HydrophobicContact SD-CD1 3.84Å; M46-I95 HydrophobicContact SD-CG2 4.42Å; M46-R99 PolarHBondContact O-NH1 3.49Å; M46-R99 VanDerWaalsContact O-NH1 3.1Å
47	R	58.3	Low	64.3	Low	172 Å²	172	76.2 Å²	76.2	65%	0.649	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-11.6	179.6	-63.5	180	170.9	179.1	-6	113.4	N44 D45	N44-R47 VanDerWaalsContact O-CB 3.29Å; N44-R47 WeakPolarHBondContact O-CB 3.42Å; N44-R47 WeakPolarHBondContact O-CG 3.27Å; N44-R47 PolarHBondContact O-N 3.01Å; D45-R47 PolarHBondContact O-N 3.13Å
48	H	59.1	Low	64.2	Low	100 Å²	100	75.4 Å²	75.4	46%	0.463	41%	0.407	S	S	.	.	S	Bend	trans	-67.3	146	176.3	-71.1	-69.2	0	0	0	111.9	D45 M46 I52	D45-H48 PolarHBondContact O-CD2 3.34Å; D45-H48 PolarHBondContact O-N 2.85Å; D45-H48 IonicContact OD1-CD2 3.35Å; D45-H48 PolarHBondContact OD1-CD2 2.97Å; D45-H48 IonicContact OD1-NE2 3.93Å; M46-H48 VanDerWaalsContact C-N 3.32Å; H48-I52 HydrophobicContact CB-CD1 4.15Å
49	S	49.9	Very low	64.3	Low	79 Å²	79	77.5 Å²	77.5	55%	0.552	42%	0.418	S	S	*	.			trans	-61.3	138.1	-175.9	-64.7	0	0	0	0	111.1	E51 I52	S49-E51 PolarHBondContact O-N 3.29Å; S49-E51 VanDerWaalsContact O-N 3.09Å; S49-I52 WeakPolarHBondContact O-CG1 3.24Å; S49-I52 PolarHBondContact O-N 2.93Å
50	P	53.6	Low	64.8	Low	44 Å²	44	80.1 Å²	80.1	29%	0.286	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-69.3	-10.6	-172.3	29.2	-34	0	0	0	114.1	I52 I53	P50-I52 VanDerWaalsContact C-N 3.33Å; P50-I53 HydrophobicContact CB-CD1 4.28Å; P50-I53 PolarHBondContact O-N 2.89Å
51	E	50.4	Low	64.9	Low	160 Å²	160	77.7 Å²	77.7	75%	0.748	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-73.2	-21.6	179.6	-70.4	-179.5	168.2	0	0	113.7	S49	S49-E51 PolarHBondContact O-N 3.29Å; S49-E51 VanDerWaalsContact O-N 3.09Å
52	I	56.8	Low	65.2	Low	131 Å²	131	75.6 Å²	75.6	67%	0.672	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-91.3	-1.3	177.4	61.6	160.9	0	0	0	113.1	H48 S49 P50 S54	H48-I52 HydrophobicContact CB-CD1 4.15Å; S49-I52 WeakPolarHBondContact O-CG1 3.24Å; S49-I52 PolarHBondContact O-N 2.93Å; P50-I52 VanDerWaalsContact C-N 3.33Å; I52-S54 PolarHBondContact O-N 3.12Å
53	I	60	Low	65.8	Low	19 Å²	19	78.7 Å²	78.7	10%	0.097	43%	0.431	C	S	.	.			trans	-84	107.6	-172.9	-57.7	179.1	0	0	0	109.1	P50 G55 T58 Q96 F100	P50-I53 HydrophobicContact CB-CD1 4.28Å; P50-I53 PolarHBondContact O-N 2.89Å; I53-G55 PolarHBondContact O-N 3.21Å; I53-T58 WeakPolarHBondContact CG2-OG1 3.26Å; I53-Q96 HydrophobicContact CD1-CB 3.97Å; I53-Q96 HydrophobicContact CD1-CG 4Å; I53-F100 HydrophobicContact CB-CD2 4.46Å; I53-F100 HydrophobicContact CG2-CB 4.31Å; I53-F100 HydrophobicContact CG2-CD2 4.43Å; I53-F100 WeakPolarHBondContact O-CD2 3.31Å; I53-F100 WeakPolarHBondContact O-CE2 3.45Å
54	S	63.8	Low	66.4	Low	60 Å²	60	80.1 Å²	80.1	42%	0.42	43%	0.434	S	S	.	.			trans	-76.8	113	171.3	170.7	0	0	0	0	110	I52 S56 M57 T58	I52-S54 PolarHBondContact O-N 3.12Å; S54-S56 VanDerWaalsContact C-N 3.26Å; S54-S56 PolarHBondContact O-N 3.47Å; S54-M57 WeakPolarHBondContact O-CB 3.38Å; S54-M57 PolarHBondContact O-N 2.64Å; S54-M57 PolarHBondContact OG-N 3.4Å; S54-T58 PolarHBondContact O-N 3.44Å; S54-T58 PolarHBondContact O-OG1 2.88Å
55	G	62.9	Low	66.9	Low	19 Å²	19	76.2 Å²	76.2	20%	0.196	41%	0.414	C	S	.	.	H	α-helix	trans	-55.2	-39.1	178.7	0	0	0	0	0	113.7	I53 T58 L59	I53-G55 PolarHBondContact O-N 3.21Å; G55-T58 PolarHBondContact O-N 2.95Å; G55-L59 WeakPolarHBondContact O-CB 3.24Å; G55-L59 PolarHBondContact O-N 2.89Å
56	S	70.2	Confident	67.6	Low	98 Å²	98	77 Å²	77	69%	0.685	42%	0.417	S	S	*	.	H	α-helix	trans	-66.7	-36.7	176.2	-58	0	0	0	0	112.5	S54 A60	S54-S56 VanDerWaalsContact C-N 3.26Å; S54-S56 PolarHBondContact O-N 3.47Å; S56-A60 VanDerWaalsContact O-CB 3.24Å; S56-A60 WeakPolarHBondContact O-CB 3.23Å; S56-A60 PolarHBondContact O-N 2.89Å
57	M	74.8	Confident	68.7	Low	126 Å²	126	76.9 Å²	76.9	62%	0.621	42%	0.424	S	S	*	.	H	α-helix	trans	-68.5	-46	175.6	179	-176.5	166.7	0	0	111	S54 L59 A60 L61	S54-M57 WeakPolarHBondContact O-CB 3.38Å; S54-M57 PolarHBondContact O-N 2.64Å; S54-M57 PolarHBondContact OG-N 3.4Å; M57-L59 VanDerWaalsContact C-N 3.31Å; M57-L59 PolarHBondContact O-N 3.39Å; M57-A60 PolarHBondContact O-N 3.4Å; M57-L61 VanDerWaalsContact O-CB 3.26Å; M57-L61 WeakPolarHBondContact O-CB 3.49Å; M57-L61 PolarHBondContact O-N 3.1Å
58	T	69	Low	69.6	Low	15 Å²	15	72.7 Å²	72.7	9%	0.092	41%	0.41	C	S	.	.	H	α-helix	trans	-61.5	-41.3	177.8	-53.9	0	0	0	0	111	I53 S54 G55 A62 Q93	I53-T58 WeakPolarHBondContact CG2-OG1 3.26Å; S54-T58 PolarHBondContact O-N 3.44Å; S54-T58 PolarHBondContact O-OG1 2.88Å; G55-T58 PolarHBondContact O-N 2.95Å; T58-A62 WeakPolarHBondContact O-CB 3.43Å; T58-A62 PolarHBondContact O-N 3.39Å; T58-Q93 HydrophobicContact CG2-CB 4.08Å; T58-Q93 VanDerWaalsContact CG2-O 3.25Å; T58-Q93 WeakPolarHBondContact CG2-O 3.48Å
59	L	72.8	Confident	70.4	Confident	117 Å²	117	69.8 Å²	69.8	61%	0.613	40%	0.398	S	S	*	.	H	α-helix	trans	-65.7	-44.6	175.1	-176.6	63.9	0	0	0	111.9	G55 M57 L61 A62 C63	G55-L59 WeakPolarHBondContact O-CB 3.24Å; G55-L59 PolarHBondContact O-N 2.89Å; M57-L59 VanDerWaalsContact C-N 3.31Å; M57-L59 PolarHBondContact O-N 3.39Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L59-L61 PolarHBondContact O-N 2.95Å; L59-A62 PolarHBondContact O-N 3.32Å; L59-C63 PolarHBondContact O-N 3.35Å; L59-C63 PolarHBondContact O-SG 3.47Å; L59-C63 VanDerWaalsContact O-SG 3.34Å
60	A	79	Confident	71.9	Confident	61 Å²	61	72.8 Å²	72.8	50%	0.504	40%	0.397	S	S	.	.	H	α-helix	trans	-61.7	-43.4	177.8	0	0	0	0	0	111.7	S56 M57 A62 C63 Y64	S56-A60 VanDerWaalsContact O-CB 3.24Å; S56-A60 WeakPolarHBondContact O-CB 3.23Å; S56-A60 PolarHBondContact O-N 2.89Å; M57-A60 PolarHBondContact O-N 3.4Å; A60-A62 VanDerWaalsContact C-N 3.35Å; A60-C63 PolarHBondContact O-N 2.92Å; A60-Y64 VanDerWaalsContact O-CB 3.29Å; A60-Y64 WeakPolarHBondContact O-CB 3.45Å; A60-Y64 PolarHBondContact O-N 3.42Å
61	L	76.3	Confident	73.1	Confident	70 Å²	70	77.3 Å²	77.3	37%	0.366	41%	0.412	S	S	.	.	H	α-helix	trans	-72	-30.2	179.9	-171.1	67.9	0	0	0	111.9	M57 L59 Y64 S65 Q93	M57-L61 VanDerWaalsContact O-CB 3.26Å; M57-L61 WeakPolarHBondContact O-CB 3.49Å; M57-L61 PolarHBondContact O-N 3.1Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L59-L61 PolarHBondContact O-N 2.95Å; L61-Y64 HydrophobicContact CD1-CD1 4.32Å; L61-S65 WeakPolarHBondContact O-CB 3.29Å; L61-S65 PolarHBondContact O-N 2.81Å; L61-S65 PolarHBondContact O-OG 3.29Å; L61-Q93 HydrophobicContact CD2-CG 4.11Å; L61-Q93 VanDerWaalsContact CD2-OE1 3.31Å; L61-Q93 VanDerWaalsContact CG-CD 3.4Å; L61-Q93 PolarHBondContact O-OE1 3.2Å
62	A	78.3	Confident	74.2	Confident	14 Å²	14	70.1 Å²	70.1	12%	0.116	38%	0.381	C	S	.	.	H	α-helix	trans	-67.5	-51.2	172.1	0	0	0	0	0	111.1	T58 L59 A60 Y64 S65 L66 E90	T58-A62 WeakPolarHBondContact O-CB 3.43Å; T58-A62 PolarHBondContact O-N 3.39Å; L59-A62 PolarHBondContact O-N 3.32Å; A60-A62 VanDerWaalsContact C-N 3.35Å; A62-Y64 VanDerWaalsContact C-N 3.27Å; A62-Y64 PolarHBondContact O-N 2.93Å; A62-S65 PolarHBondContact O-N 3.01Å; A62-S65 VanDerWaalsContact O-N 3.12Å; A62-L66 WeakPolarHBondContact O-CG 3.16Å; A62-L66 PolarHBondContact O-N 2.79Å; A62-E90 WeakPolarHBondContact CA-OE2 3.39Å; A62-E90 WeakPolarHBondContact CB-OE1 3.35Å
63	C	81.5	Confident	75	Confident	75 Å²	75	70.4 Å²	70.4	51%	0.507	37%	0.373	S	S	.	.	H	α-helix	trans	-57.4	-41.6	174.4	-69.2	0	0	0	0	112.3	L59 A60 A67	L59-C63 PolarHBondContact O-N 3.35Å; L59-C63 PolarHBondContact O-SG 3.47Å; L59-C63 VanDerWaalsContact O-SG 3.34Å; A60-C63 PolarHBondContact O-N 2.92Å; C63-A67 PolarHBondContact O-N 3.03Å
64	Y	81.4	Confident	75.9	Confident	118 Å²	118	75.9 Å²	75.9	46%	0.463	40%	0.396	S	S	.	.	H	α-helix	trans	-59.6	-51.9	173.8	178.2	-93.9	0	0	0	110.9	A60 L61 A62 L66 A67 F68	A60-Y64 VanDerWaalsContact O-CB 3.29Å; A60-Y64 WeakPolarHBondContact O-CB 3.45Å; A60-Y64 PolarHBondContact O-N 3.42Å; L61-Y64 HydrophobicContact CD1-CD1 4.32Å; A62-Y64 VanDerWaalsContact C-N 3.27Å; A62-Y64 PolarHBondContact O-N 2.93Å; Y64-L66 VanDerWaalsContact C-N 3.34Å; Y64-L66 PolarHBondContact O-N 3.24Å; Y64-A67 WeakPolarHBondContact O-CB 3.26Å; Y64-A67 PolarHBondContact O-N 2.81Å; Y64-A67 VanDerWaalsContact O-N 3.16Å; Y64-F68 HydrophobicContact CD1-CD2 4.02Å; Y64-F68 HydrophobicContact CD1-CE2 4.27Å; Y64-F68 AromaticContact CD2-CD2 3.98Å; Y64-F68 HydrophobicContact CD2-CD2 3.98Å; Y64-F68 AromaticContact CD2-CE2 3.6Å; Y64-F68 HydrophobicContact CD2-CE2 3.6Å; Y64-F68 AromaticContact CE1-CD2 3.77Å; Y64-F68 HydrophobicContact CE1-CD2 3.77Å; Y64-F68 AromaticContact CE1-CE2 3.77Å; Y64-F68 HydrophobicContact CE1-CE2 3.77Å; Y64-F68 HydrophobicContact CE1-CG 4.29Å; Y64-F68 HydrophobicContact CE1-CZ 4.25Å; Y64-F68 AromaticContact CE2-CD2 3.76Å; Y64-F68 HydrophobicContact CE2-CD2 3.76Å; Y64-F68 AromaticContact CE2-CE2 3.03Å; Y64-F68 HydrophobicContact CE2-CE2 3.03Å; Y64-F68 AromaticContact CE2-CZ 3.63Å; Y64-F68 HydrophobicContact CE2-CZ 3.63Å; Y64-F68 HydrophobicContact CG-CD2 4.12Å; Y64-F68 HydrophobicContact CG-CE2 4.19Å; Y64-F68 AromaticContact CZ-CD2 3.63Å; Y64-F68 AromaticContact CZ-CE2 3.11Å; Y64-F68 AromaticContact CZ-CZ 3.4Å; Y64-F68 VanDerWaalsContact CZ-CZ 3.4Å; Y64-F68 VanDerWaalsContact O-CD2 3.26Å; Y64-F68 WeakPolarHBondContact O-CD2 3.44Å; Y64-F68 PolarHBondContact O-N 3.2Å; Y64-F68 WeakPolarHBondContact OH-CE2 3.47Å; Y64-F68 WeakPolarHBondContact OH-CZ 3.29Å
65	S	80.1	Confident	76.3	Confident	3 Å²	3	77 Å²	77	2%	0.021	40%	0.4	C	S	.	.	H	α-helix	trans	-62.1	-40.5	-178.1	-60.3	0	0	0	0	111.9	L61 A62 A67 F68 M69 E90	L61-S65 WeakPolarHBondContact O-CB 3.29Å; L61-S65 PolarHBondContact O-N 2.81Å; L61-S65 PolarHBondContact O-OG 3.29Å; A62-S65 PolarHBondContact O-N 3.01Å; A62-S65 VanDerWaalsContact O-N 3.12Å; S65-A67 PolarHBondContact O-N 3.48Å; S65-F68 PolarHBondContact O-N 3.28Å; S65-M69 VanDerWaalsContact O-CG 3.26Å; S65-M69 WeakPolarHBondContact O-CG 3.34Å; S65-M69 PolarHBondContact O-N 2.94Å; S65-E90 VanDerWaalsContact CB-OE2 3.23Å; S65-E90 WeakPolarHBondContact CB-OE2 3.44Å
66	L	81.4	Confident	76.9	Confident	90 Å²	90	84.6 Å²	84.6	47%	0.471	43%	0.431	S	S	.	.	H	α-helix	trans	-62	-42.3	174.1	-70	173.4	0	0	0	113	A62 Y64 F68 M69 R70 E90	A62-L66 WeakPolarHBondContact O-CG 3.16Å; A62-L66 PolarHBondContact O-N 2.79Å; Y64-L66 VanDerWaalsContact C-N 3.34Å; Y64-L66 PolarHBondContact O-N 3.24Å; L66-F68 VanDerWaalsContact C-N 3.33Å; L66-M69 HydrophobicContact CD2-SD 4.32Å; L66-M69 PolarHBondContact O-N 3.5Å; L66-R70 PolarHBondContact O-N 3.33Å; L66-E90 HydrophobicContact CD2-CG 4.15Å; L66-E90 HydrophobicContact CG-CG 4.49Å; L66-E90 WeakPolarHBondContact CG-OE1 3.26Å
67	A	82.3	Confident	77	Confident	44 Å²	44	85.7 Å²	85.7	36%	0.364	44%	0.436	S	S	.	.	H	α-helix	trans	-61.3	-45.2	175.2	0	0	0	0	0	110.6	C63 Y64 S65 M69 R70 F71	C63-A67 PolarHBondContact O-N 3.03Å; Y64-A67 WeakPolarHBondContact O-CB 3.26Å; Y64-A67 PolarHBondContact O-N 2.81Å; Y64-A67 VanDerWaalsContact O-N 3.16Å; S65-A67 PolarHBondContact O-N 3.48Å; A67-M69 PolarHBondContact O-N 3.2Å; A67-R70 WeakPolarHBondContact O-CB 2.98Å; A67-R70 PolarHBondContact O-N 3.43Å; A67-F71 WeakPolarHBondContact O-CD2 2.94Å; A67-F71 PolarHBondContact O-N 2.93Å
68	F	78.5	Confident	76.9	Confident	83 Å²	83	87.3 Å²	87.3	36%	0.364	44%	0.435	S	S	.	.	H	α-helix	trans	-65.5	-37.3	177.1	-85.1	-102.5	0	0	0	112.8	Y64 S65 L66 R70 F71 A72 H86	Y64-F68 HydrophobicContact CD1-CD2 4.02Å; Y64-F68 HydrophobicContact CD1-CE2 4.27Å; Y64-F68 AromaticContact CD2-CD2 3.98Å; Y64-F68 HydrophobicContact CD2-CD2 3.98Å; Y64-F68 AromaticContact CD2-CE2 3.6Å; Y64-F68 HydrophobicContact CD2-CE2 3.6Å; Y64-F68 AromaticContact CE1-CD2 3.77Å; Y64-F68 HydrophobicContact CE1-CD2 3.77Å; Y64-F68 AromaticContact CE1-CE2 3.77Å; Y64-F68 HydrophobicContact CE1-CE2 3.77Å; Y64-F68 HydrophobicContact CE1-CG 4.29Å; Y64-F68 HydrophobicContact CE1-CZ 4.25Å; Y64-F68 AromaticContact CE2-CD2 3.76Å; Y64-F68 HydrophobicContact CE2-CD2 3.76Å; Y64-F68 AromaticContact CE2-CE2 3.03Å; Y64-F68 HydrophobicContact CE2-CE2 3.03Å; Y64-F68 AromaticContact CE2-CZ 3.63Å; Y64-F68 HydrophobicContact CE2-CZ 3.63Å; Y64-F68 HydrophobicContact CG-CD2 4.12Å; Y64-F68 HydrophobicContact CG-CE2 4.19Å; Y64-F68 AromaticContact CZ-CD2 3.63Å; Y64-F68 AromaticContact CZ-CE2 3.11Å; Y64-F68 AromaticContact CZ-CZ 3.4Å; Y64-F68 VanDerWaalsContact CZ-CZ 3.4Å; Y64-F68 VanDerWaalsContact O-CD2 3.26Å; Y64-F68 WeakPolarHBondContact O-CD2 3.44Å; Y64-F68 PolarHBondContact O-N 3.2Å; Y64-F68 WeakPolarHBondContact OH-CE2 3.47Å; Y64-F68 WeakPolarHBondContact OH-CZ 3.29Å; S65-F68 PolarHBondContact O-N 3.28Å; L66-F68 VanDerWaalsContact C-N 3.33Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 3.48Å; F68-F71 PolarHBondContact O-N 2.77Å; F68-A72 WeakPolarHBondContact O-CB 3.39Å; F68-A72 PolarHBondContact O-N 2.92Å; F68-H86 AromaticContact CD1-NE2 3.93Å
69	M	76	Confident	77.2	Confident	39 Å²	39	89.8 Å²	89.8	19%	0.192	45%	0.448	C	S	.	.	H	α-helix	trans	-60.5	-40.9	172.3	-72.4	173.3	63.7	0	0	111.6	S65 L66 A67 A72 W73 L83 H86 T87 E90	S65-M69 VanDerWaalsContact O-CG 3.26Å; S65-M69 WeakPolarHBondContact O-CG 3.34Å; S65-M69 PolarHBondContact O-N 2.94Å; L66-M69 HydrophobicContact CD2-SD 4.32Å; L66-M69 PolarHBondContact O-N 3.5Å; A67-M69 PolarHBondContact O-N 3.2Å; M69-A72 PolarHBondContact O-N 3.4Å; M69-W73 PolarHBondContact O-N 3.41Å; M69-L83 HydrophobicContact CB-CD1 3.96Å; M69-L83 HydrophobicContact CE-CD1 4.35Å; M69-L83 HydrophobicContact CG-CD1 4.14Å; M69-H86 HydrophobicContact CG-CB 3.52Å; M69-H86 HydrophobicContact SD-CB 4.31Å; M69-T87 HydrophobicContact CE-CG2 4.23Å; M69-T87 WeakPolarHBondContact CE-OG1 3.41Å; M69-E90 HydrophobicContact SD-CB 4.33Å
70	R	81	Confident	77.4	Confident	142 Å²	142	89.3 Å²	89.3	54%	0.536	45%	0.445	S	S	.	.	H	α-helix	trans	-62.7	-43.7	176.5	-178.6	64.4	177.3	138.5	-10	111.8	L66 A67 F68 K74	L66-R70 PolarHBondContact O-N 3.33Å; A67-R70 WeakPolarHBondContact O-CB 2.98Å; A67-R70 PolarHBondContact O-N 3.43Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 3.48Å; R70-K74 VanDerWaalsContact NH1-CE 3.28Å; R70-K74 WeakPolarHBondContact O-CB 3.41Å; R70-K74 PolarHBondContact O-N 2.88Å; R70-K74 VanDerWaalsContact O-N 3.16Å
71	F	78.5	Confident	77	Confident	139 Å²	139	90.6 Å²	90.6	61%	0.61	44%	0.443	S	S	*	.	H	α-helix	trans	-66.5	-46.4	175.4	-75.5	-69.5	0	0	0	111.8	A67 F68 W73 K74 V75	A67-F71 WeakPolarHBondContact O-CD2 2.94Å; A67-F71 PolarHBondContact O-N 2.93Å; F68-F71 PolarHBondContact O-N 2.77Å; F71-W73 PolarHBondContact O-N 3.38Å; F71-K74 PolarHBondContact O-N 3.35Å; F71-V75 VanDerWaalsContact O-CG2 3.32Å; F71-V75 WeakPolarHBondContact O-CG2 3.43Å; F71-V75 PolarHBondContact O-N 2.81Å
72	A	72.9	Confident	76.8	Confident	10 Å²	10	91.1 Å²	91.1	8%	0.083	45%	0.446	C	S	.	.	H	α-helix	trans	-59.3	-32.4	179.2	0	0	0	0	0	113	F68 M69 L82 L83	F68-A72 WeakPolarHBondContact O-CB 3.39Å; F68-A72 PolarHBondContact O-N 2.92Å; M69-A72 PolarHBondContact O-N 3.4Å; A72-L82 HydrophobicContact CB-CB 4.38Å; A72-L83 HydrophobicContact CB-CB 4.31Å
73	W	74.1	Confident	76.8	Confident	136 Å²	136	91.8 Å²	91.8	52%	0.515	45%	0.447	S	S	.	.	H	α-helix	trans	-76.8	-36.9	174.1	-170.3	-89.6	0	0	0	113.6	M69 F71 L83	M69-W73 PolarHBondContact O-N 3.41Å; F71-W73 PolarHBondContact O-N 3.38Å; W73-L83 HydrophobicContact CE3-CD2 3.57Å; W73-L83 HydrophobicContact CZ3-CD2 3.83Å
74	K	79.6	Confident	76.7	Confident	134 Å²	134	92.8 Å²	92.8	58%	0.583	44%	0.443	S	S	*	.	H	α-helix	trans	-79.9	-32.8	-176.2	-83.9	-62.5	-153.9	177.9	0	113.6	R70 F71 Q76	R70-K74 VanDerWaalsContact NH1-CE 3.28Å; R70-K74 WeakPolarHBondContact O-CB 3.41Å; R70-K74 PolarHBondContact O-N 2.88Å; R70-K74 VanDerWaalsContact O-N 3.16Å; F71-K74 PolarHBondContact O-N 3.35Å; K74-Q76 PolarHBondContact O-N 2.87Å
75	V	72.4	Confident	76.5	Confident	84 Å²	84	87.6 Å²	87.6	51%	0.509	42%	0.424	S	S	.	.	S	Bend	trans	-65.9	132.2	178.5	173	0	0	0	0	109.8	F71 P77 R78	F71-V75 VanDerWaalsContact O-CG2 3.32Å; F71-V75 WeakPolarHBondContact O-CG2 3.43Å; F71-V75 PolarHBondContact O-N 2.81Å; V75-P77 CarbonylContact O-C 3.34Å; V75-R78 WeakPolarHBondContact O-CA 3.19Å; V75-R78 PolarHBondContact O-N 3.27Å
76	Q	75.3	Confident	76.5	Confident	179 Å²	179	88.5 Å²	88.5	84%	0.836	43%	0.428	S	S	*	.	S	Bend	trans	-108.5	127.3	172.3	-71.1	-177.7	-16.6	0	0	108.7	K74	K74-Q76 PolarHBondContact O-N 2.87Å
77	P	72.5	Confident	76.4	Confident	121 Å²	121	86.4 Å²	86.4	79%	0.786	42%	0.419	S	S	*	.	S	Bend	cis	-70.9	143.6	-0.6	29.9	-34.7	0	0	0	113	V75 N79	V75-P77 CarbonylContact O-C 3.34Å; P77-N79 PolarHBondContact O-N 3.19Å
78	R	72	Confident	76.2	Confident	159 Å²	159	84.6 Å²	84.6	60%	0.6	40%	0.403	S	S	*	.			trans	-62.2	118.7	-176.4	-71.5	175.2	-78.4	-163.7	-5.2	110.9	V75 L80	V75-R78 WeakPolarHBondContact O-CA 3.19Å; V75-R78 PolarHBondContact O-N 3.27Å; R78-L80 HydrophobicContact CB-CD2 4.48Å; R78-L80 PolarHBondContact O-N 2.86Å; R78-L80 VanDerWaalsContact O-N 3.12Å
79	N	74.8	Confident	76.1	Confident	68 Å²	68	82.7 Å²	82.7	36%	0.364	40%	0.397	S	S	.	.			trans	-85.8	82.5	175.8	-166.6	-29.4	0	0	0	110.2	P77 L81 L82 L83	P77-N79 PolarHBondContact O-N 3.19Å; N79-L81 PolarHBondContact O-N 2.89Å; N79-L81 PolarHBondContact OD1-N 3.43Å; N79-L82 HydrophobicContact CB-CB 4.36Å; N79-L82 HydrophobicContact CB-CD1 4.27Å; N79-L82 VanDerWaalsContact ND2-CD1 3.31Å; N79-L82 WeakPolarHBondContact ND2-CD1 3.48Å; N79-L82 PolarHBondContact O-N 3.35Å; N79-L82 PolarHBondContact OD1-N 3.31Å; N79-L82 VanDerWaalsContact OD1-N 3.1Å; N79-L83 PolarHBondContact O-N 3.5Å; N79-L83 VanDerWaalsContact O-N 3.15Å
80	L	76.8	Confident	76.2	Confident	106 Å²	106	82.2 Å²	82.2	56%	0.555	40%	0.395	S	S	*	.	H	α-helix	trans	-63.7	-24.7	-178.7	-64.2	178.2	0	0	0	113.3	R78 L83 F84	R78-L80 HydrophobicContact CB-CD2 4.48Å; R78-L80 PolarHBondContact O-N 2.86Å; R78-L80 VanDerWaalsContact O-N 3.12Å; L80-L83 HydrophobicContact CD2-CD2 4.3Å; L80-L83 PolarHBondContact O-N 3.42Å; L80-F84 WeakPolarHBondContact O-CB 3.37Å; L80-F84 PolarHBondContact O-N 2.94Å
81	L	71.9	Confident	76.1	Confident	88 Å²	88	79.4 Å²	79.4	46%	0.461	39%	0.389	S	S	.	.	H	α-helix	trans	-72.8	-46.4	-178.8	-58.2	168.7	0	0	0	110.9	N35 N79 L83 F84 C85	N35-L81 HydrophobicContact CB-CB 4.4Å; N35-L81 HydrophobicContact CB-CD2 3.85Å; N35-L81 WeakPolarHBondContact ND2-CD1 3.21Å; N35-L81 VanDerWaalsContact ND2-CD2 3.27Å; N35-L81 WeakPolarHBondContact ND2-CD2 3.34Å; N35-L81 WeakPolarHBondContact ND2-CG 3.17Å; N79-L81 PolarHBondContact O-N 2.89Å; N79-L81 PolarHBondContact OD1-N 3.43Å; L81-L83 VanDerWaalsContact C-N 3.31Å; L81-L83 PolarHBondContact O-N 3.29Å; L81-F84 PolarHBondContact O-N 3.25Å; L81-C85 WeakPolarHBondContact O-CB 3.23Å; L81-C85 PolarHBondContact O-N 2.95Å
82	L	71.5	Confident	76.1	Confident	81 Å²	81	72.9 Å²	72.9	42%	0.424	36%	0.361	S	S	.	.	H	α-helix	trans	-60.6	-43	170.6	-80	174.8	0	0	0	111	A72 N79 F84 C85 H86	A72-L82 HydrophobicContact CB-CB 4.38Å; N79-L82 HydrophobicContact CB-CB 4.36Å; N79-L82 HydrophobicContact CB-CD1 4.27Å; N79-L82 VanDerWaalsContact ND2-CD1 3.31Å; N79-L82 WeakPolarHBondContact ND2-CD1 3.48Å; N79-L82 PolarHBondContact O-N 3.35Å; N79-L82 PolarHBondContact OD1-N 3.31Å; N79-L82 VanDerWaalsContact OD1-N 3.1Å; L82-F84 VanDerWaalsContact C-N 3.35Å; L82-F84 PolarHBondContact O-N 2.9Å; L82-C85 PolarHBondContact O-N 3.18Å; L82-H86 WeakPolarHBondContact O-CB 3.49Å; L82-H86 PolarHBondContact O-CD2 3.44Å; L82-H86 PolarHBondContact O-N 3.38Å
83	L	79.1	Confident	76	Confident	28 Å²	28	73 Å²	73	15%	0.147	36%	0.36	C	S	.	.	H	α-helix	trans	-58.4	-47	176.5	-176.7	71.6	0	0	0	111.6	M69 A72 W73 N79 L80 L81 T87	M69-L83 HydrophobicContact CB-CD1 3.96Å; M69-L83 HydrophobicContact CE-CD1 4.35Å; M69-L83 HydrophobicContact CG-CD1 4.14Å; A72-L83 HydrophobicContact CB-CB 4.31Å; W73-L83 HydrophobicContact CE3-CD2 3.57Å; W73-L83 HydrophobicContact CZ3-CD2 3.83Å; N79-L83 PolarHBondContact O-N 3.5Å; N79-L83 VanDerWaalsContact O-N 3.15Å; L80-L83 HydrophobicContact CD2-CD2 4.3Å; L80-L83 PolarHBondContact O-N 3.42Å; L81-L83 VanDerWaalsContact C-N 3.31Å; L81-L83 PolarHBondContact O-N 3.29Å; L83-T87 VanDerWaalsContact O-CB 3.29Å; L83-T87 WeakPolarHBondContact O-CB 3.22Å; L83-T87 PolarHBondContact O-N 2.88Å; L83-T87 PolarHBondContact O-OG1 3.46Å
84	F	79.1	Confident	76.1	Confident	96 Å²	96	69.2 Å²	69.2	42%	0.421	36%	0.358	S	S	.	.	H	α-helix	trans	-63	-48.4	179	-176.2	-118	0	0	0	111.6	F36 P39 L80 L81 L82 H86 T87 S88	F36-F84 HydrophobicContact CD1-CE1 4.4Å; F36-F84 HydrophobicContact CE1-CE1 4.47Å; P39-F84 HydrophobicContact CB-CE1 4.03Å; P39-F84 HydrophobicContact CB-CZ 4.49Å; P39-F84 HydrophobicContact CG-CD1 3.54Å; P39-F84 HydrophobicContact CG-CE1 3.3Å; P39-F84 HydrophobicContact CG-CZ 4.16Å; L80-F84 WeakPolarHBondContact O-CB 3.37Å; L80-F84 PolarHBondContact O-N 2.94Å; L81-F84 PolarHBondContact O-N 3.25Å; L82-F84 VanDerWaalsContact C-N 3.35Å; L82-F84 PolarHBondContact O-N 2.9Å; F84-H86 PolarHBondContact O-N 3.22Å; F84-T87 PolarHBondContact O-N 3.24Å; F84-S88 PolarHBondContact O-N 3.49Å; F84-S88 PolarHBondContact O-OG 2.91Å
85	C	77.4	Confident	75.9	Confident	10 Å²	10	66.4 Å²	66.4	7%	0.068	35%	0.348	C	S	.	.	H	α-helix	trans	-55.5	-52.3	175.7	172	0	0	0	0	111.9	L38 L81 L82 T87 S88 N89	L38-C85 HydrophobicContact CB-CB 4.25Å; L38-C85 HydrophobicContact CD1-CB 4.27Å; L81-C85 WeakPolarHBondContact O-CB 3.23Å; L81-C85 PolarHBondContact O-N 2.95Å; L82-C85 PolarHBondContact O-N 3.18Å; C85-T87 VanDerWaalsContact C-N 3.31Å; C85-T87 PolarHBondContact O-N 2.89Å; C85-S88 PolarHBondContact O-N 3.18Å; C85-N89 WeakPolarHBondContact O-CB 3.02Å; C85-N89 VanDerWaalsContact O-CG 3.23Å; C85-N89 PolarHBondContact O-N 2.73Å; C85-N89 PolarHBondContact O-OD1 2.99Å
86	H	78.9	Confident	75.7	Confident	22 Å²	22	63.1 Å²	63.1	10%	0.102	33%	0.327	C	S	.	.	H	α-helix	trans	-64.7	-35.3	179	-73.5	-68	0	0	0	112.5	F68 M69 L82 F84 N89 E90	F68-H86 AromaticContact CD1-NE2 3.93Å; M69-H86 HydrophobicContact CG-CB 3.52Å; M69-H86 HydrophobicContact SD-CB 4.31Å; L82-H86 WeakPolarHBondContact O-CB 3.49Å; L82-H86 PolarHBondContact O-CD2 3.44Å; L82-H86 PolarHBondContact O-N 3.38Å; F84-H86 PolarHBondContact O-N 3.22Å; H86-N89 PolarHBondContact O-N 3.35Å; H86-E90 VanDerWaalsContact O-CB 3.22Å; H86-E90 WeakPolarHBondContact O-CB 3.41Å; H86-E90 PolarHBondContact O-N 3.34Å
87	T	78.9	Confident	75.4	Confident	45 Å²	45	55.2 Å²	55.2	28%	0.276	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-44.7	175.1	-54.6	0	0	0	0	111	M69 L83 F84 C85 E90 I91	M69-T87 HydrophobicContact CE-CG2 4.23Å; M69-T87 WeakPolarHBondContact CE-OG1 3.41Å; L83-T87 VanDerWaalsContact O-CB 3.29Å; L83-T87 WeakPolarHBondContact O-CB 3.22Å; L83-T87 PolarHBondContact O-N 2.88Å; L83-T87 PolarHBondContact O-OG1 3.46Å; F84-T87 PolarHBondContact O-N 3.24Å; C85-T87 VanDerWaalsContact C-N 3.31Å; C85-T87 PolarHBondContact O-N 2.89Å; T87-E90 PolarHBondContact O-N 3.5Å; T87-I91 HydrophobicContact CG2-CD1 3.98Å; T87-I91 WeakPolarHBondContact O-CD1 3.35Å; T87-I91 VanDerWaalsContact O-CG1 3.23Å; T87-I91 WeakPolarHBondContact O-CG1 3.39Å; T87-I91 PolarHBondContact O-N 3.45Å
88	S	79.6	Confident	75.3	Confident	6 Å²	6	54 Å²	54	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-65.8	-38	176	-61.3	0	0	0	0	112.4	S42 F84 C85 A92	S42-S88 PolarHBondContact OG-O 2.9Å; F84-S88 PolarHBondContact O-N 3.49Å; F84-S88 PolarHBondContact O-OG 2.91Å; C85-S88 PolarHBondContact O-N 3.18Å; S88-A92 WeakPolarHBondContact O-CB 3.29Å; S88-A92 PolarHBondContact O-N 3.39Å
89	N	76.2	Confident	75.2	Confident	43 Å²	43	50.4 Å²	50.4	23%	0.23	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-41.3	173.8	-70.2	2.2	0	0	0	111.5	S42 C85 H86 A92 Q93	S42-N89 WeakPolarHBondContact CB-OD1 3.28Å; C85-N89 WeakPolarHBondContact O-CB 3.02Å; C85-N89 VanDerWaalsContact O-CG 3.23Å; C85-N89 PolarHBondContact O-N 2.73Å; C85-N89 PolarHBondContact O-OD1 2.99Å; H86-N89 PolarHBondContact O-N 3.35Å; N89-A92 PolarHBondContact O-N 3.49Å; N89-Q93 WeakPolarHBondContact O-CB 3.25Å; N89-Q93 VanDerWaalsContact O-CG 3.26Å; N89-Q93 WeakPolarHBondContact O-CG 3.43Å; N89-Q93 PolarHBondContact O-N 3.34Å; N89-Q93 PolarHBondContact O-NE2 3.5Å
90	E	78.3	Confident	74.9	Confident	30 Å²	30	48.9 Å²	48.9	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-44	177.5	-173.1	66.8	-175.4	0	0	111.1	A62 S65 L66 M69 H86 T87 Q93 A94	A62-E90 WeakPolarHBondContact CA-OE2 3.39Å; A62-E90 WeakPolarHBondContact CB-OE1 3.35Å; S65-E90 VanDerWaalsContact CB-OE2 3.23Å; S65-E90 WeakPolarHBondContact CB-OE2 3.44Å; L66-E90 HydrophobicContact CD2-CG 4.15Å; L66-E90 HydrophobicContact CG-CG 4.49Å; L66-E90 WeakPolarHBondContact CG-OE1 3.26Å; M69-E90 HydrophobicContact SD-CB 4.33Å; H86-E90 VanDerWaalsContact O-CB 3.22Å; H86-E90 WeakPolarHBondContact O-CB 3.41Å; H86-E90 PolarHBondContact O-N 3.34Å; T87-E90 PolarHBondContact O-N 3.5Å; E90-Q93 PolarHBondContact O-N 2.95Å; E90-A94 WeakPolarHBondContact O-CB 3.26Å; E90-A94 PolarHBondContact O-N 3.02Å
91	I	78.7	Confident	74.5	Confident	82 Å²	82	47.5 Å²	47.5	42%	0.421	24%	0.244	S	C	.	.	H	α-helix	trans	-62.1	-45.7	176.3	-69.2	164.8	0	0	0	110.4	T87 Q93 A94 I95	T87-I91 HydrophobicContact CG2-CD1 3.98Å; T87-I91 WeakPolarHBondContact O-CD1 3.35Å; T87-I91 VanDerWaalsContact O-CG1 3.23Å; T87-I91 WeakPolarHBondContact O-CG1 3.39Å; T87-I91 PolarHBondContact O-N 3.45Å; I91-Q93 PolarHBondContact O-N 3.17Å; I91-A94 PolarHBondContact O-N 3.06Å; I91-I95 HydrophobicContact CG2-CD1 3.93Å; I91-I95 VanDerWaalsContact O-CG1 3.28Å; I91-I95 WeakPolarHBondContact O-CG1 3.22Å; I91-I95 PolarHBondContact O-N 3.1Å
92	A	77.4	Confident	74.2	Confident	3 Å²	3	44.8 Å²	44.8	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-45.9	177.9	0	0	0	0	0	111.8	S42 M46 S88 N89 I95 Q96	S42-A92 WeakPolarHBondContact O-CB 3.29Å; M46-A92 HydrophobicContact CG-CB 3.7Å; M46-A92 HydrophobicContact SD-CB 3.94Å; S88-A92 WeakPolarHBondContact O-CB 3.29Å; S88-A92 PolarHBondContact O-N 3.39Å; N89-A92 PolarHBondContact O-N 3.49Å; A92-I95 PolarHBondContact O-N 3.04Å; A92-Q96 WeakPolarHBondContact O-CG 3.11Å; A92-Q96 PolarHBondContact O-N 3.36Å
93	Q	72.4	Confident	73.9	Confident	12 Å²	12	48.3 Å²	48.3	6%	0.056	24%	0.239	C	C	.	.	H	α-helix	trans	-67	-37	176.8	-74.4	171.2	59.8	0	0	112.8	T58 L61 N89 E90 I91 I95 Q96 G97	T58-Q93 HydrophobicContact CG2-CB 4.08Å; T58-Q93 VanDerWaalsContact CG2-O 3.25Å; T58-Q93 WeakPolarHBondContact CG2-O 3.48Å; L61-Q93 HydrophobicContact CD2-CG 4.11Å; L61-Q93 VanDerWaalsContact CD2-OE1 3.31Å; L61-Q93 VanDerWaalsContact CG-CD 3.4Å; L61-Q93 PolarHBondContact O-OE1 3.2Å; N89-Q93 WeakPolarHBondContact O-CB 3.25Å; N89-Q93 VanDerWaalsContact O-CG 3.26Å; N89-Q93 WeakPolarHBondContact O-CG 3.43Å; N89-Q93 PolarHBondContact O-N 3.34Å; N89-Q93 PolarHBondContact O-NE2 3.5Å; E90-Q93 PolarHBondContact O-N 2.95Å; I91-Q93 PolarHBondContact O-N 3.17Å; Q93-I95 VanDerWaalsContact C-N 3.33Å; Q93-I95 PolarHBondContact O-N 3.39Å; Q93-Q96 PolarHBondContact O-N 3.05Å; Q93-G97 PolarHBondContact O-N 3.24Å
94	A	75.2	Confident	73.3	Confident	57 Å²	57	52 Å²	52	47%	0.471	26%	0.255	S	S	.	.	H	α-helix	trans	-64.6	-39.2	175.4	0	0	0	0	0	111.2	E90 I91 Y98	E90-A94 WeakPolarHBondContact O-CB 3.26Å; E90-A94 PolarHBondContact O-N 3.02Å; I91-A94 PolarHBondContact O-N 3.06Å; A94-Y98 VanDerWaalsContact O-CB 3.26Å; A94-Y98 WeakPolarHBondContact O-CB 3.32Å; A94-Y98 PolarHBondContact O-N 3.13Å
95	I	74.7	Confident	72.7	Confident	74 Å²	74	55.2 Å²	55.2	38%	0.379	27%	0.265	S	S	.	.	H	α-helix	trans	-66.4	-46	174.3	-67.5	165.5	0	0	0	110.6	M46 I91 A92 Q93 Y98 R99	M46-I95 HydrophobicContact SD-CB 4.39Å; M46-I95 HydrophobicContact SD-CD1 3.84Å; M46-I95 HydrophobicContact SD-CG2 4.42Å; I91-I95 HydrophobicContact CG2-CD1 3.93Å; I91-I95 VanDerWaalsContact O-CG1 3.28Å; I91-I95 WeakPolarHBondContact O-CG1 3.22Å; I91-I95 PolarHBondContact O-N 3.1Å; A92-I95 PolarHBondContact O-N 3.04Å; Q93-I95 VanDerWaalsContact C-N 3.33Å; Q93-I95 PolarHBondContact O-N 3.39Å; I95-Y98 PolarHBondContact O-N 3.42Å; I95-R99 WeakPolarHBondContact O-CG 3.12Å; I95-R99 PolarHBondContact O-N 3.48Å
96	Q	68.5	Low	72	Confident	15 Å²	15	57.1 Å²	57.1	7%	0.07	29%	0.287	C	S	.	.	H	α-helix	trans	-59.9	-44.7	175	-80	177.2	-8.8	0	0	111.7	D45 I53 A92 Q93 R99 F100	D45-Q96 PolarHBondContact O-NE2 3.41Å; D45-Q96 PolarHBondContact OD2-NE2 3.32Å; I53-Q96 HydrophobicContact CD1-CB 3.97Å; I53-Q96 HydrophobicContact CD1-CG 4Å; A92-Q96 WeakPolarHBondContact O-CG 3.11Å; A92-Q96 PolarHBondContact O-N 3.36Å; Q93-Q96 PolarHBondContact O-N 3.05Å; Q96-R99 WeakPolarHBondContact O-CB 3.45Å; Q96-R99 PolarHBondContact O-N 2.91Å; Q96-F100 PolarHBondContact O-N 2.97Å
97	G	70.4	Confident	71.1	Confident	14 Å²	14	65.1 Å²	65.1	14%	0.144	32%	0.316	C	S	.	.	H	α-helix	trans	-64.9	-39.8	176.4	0	0	0	0	0	112.4	Q93 R99 F100 L101	Q93-G97 PolarHBondContact O-N 3.24Å; G97-R99 VanDerWaalsContact C-N 3.34Å; G97-R99 PolarHBondContact O-N 2.83Å; G97-F100 WeakPolarHBondContact O-CB 3.49Å; G97-F100 PolarHBondContact O-N 3.48Å; G97-L101 WeakPolarHBondContact O-CB 3.19Å; G97-L101 VanDerWaalsContact O-CG 3.31Å; G97-L101 WeakPolarHBondContact O-CG 3.09Å; G97-L101 PolarHBondContact O-N 2.94Å
98	Y	70.3	Confident	70.1	Confident	96 Å²	96	65.1 Å²	65.1	38%	0.376	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-42.1	172.2	179.6	-109.5	0	0	0	111.5	A94 I95 L101 N102	A94-Y98 VanDerWaalsContact O-CB 3.26Å; A94-Y98 WeakPolarHBondContact O-CB 3.32Å; A94-Y98 PolarHBondContact O-N 3.13Å; I95-Y98 PolarHBondContact O-N 3.42Å; Y98-L101 PolarHBondContact O-N 3.09Å; Y98-N102 VanDerWaalsContact CD1-ND2 3.28Å; Y98-N102 WeakPolarHBondContact CD1-ND2 3.4Å; Y98-N102 WeakPolarHBondContact CE1-ND2 3.35Å; Y98-N102 WeakPolarHBondContact O-CB 3.46Å; Y98-N102 PolarHBondContact O-N 2.94Å; Y98-N102 PolarHBondContact O-ND2 3.24Å
99	R	69.1	Low	68.9	Low	82 Å²	82	70.3 Å²	70.3	31%	0.309	34%	0.343	S	S	.	.	H	α-helix	trans	-62.7	-41.9	173.6	-69.4	172.3	68.9	-157.1	0.7	111.9	M46 I95 Q96 G97 N102 Y103	M46-R99 PolarHBondContact O-NH1 3.49Å; M46-R99 VanDerWaalsContact O-NH1 3.1Å; I95-R99 WeakPolarHBondContact O-CG 3.12Å; I95-R99 PolarHBondContact O-N 3.48Å; Q96-R99 WeakPolarHBondContact O-CB 3.45Å; Q96-R99 PolarHBondContact O-N 2.91Å; G97-R99 VanDerWaalsContact C-N 3.34Å; G97-R99 PolarHBondContact O-N 2.83Å; R99-N102 PolarHBondContact O-N 3.22Å; R99-Y103 PolarHBondContact O-N 3.45Å
100	F	68	Low	67.8	Low	36 Å²	36	74.9 Å²	74.9	16%	0.158	38%	0.375	C	S	.	.	H	α-helix	trans	-63.4	-47.5	175.9	178.2	-91.9	0	0	0	112.1	I53 Q96 G97 N102 Y103 H104	I53-F100 HydrophobicContact CB-CD2 4.46Å; I53-F100 HydrophobicContact CG2-CB 4.31Å; I53-F100 HydrophobicContact CG2-CD2 4.43Å; I53-F100 WeakPolarHBondContact O-CD2 3.31Å; I53-F100 WeakPolarHBondContact O-CE2 3.45Å; Q96-F100 PolarHBondContact O-N 2.97Å; G97-F100 WeakPolarHBondContact O-CB 3.49Å; G97-F100 PolarHBondContact O-N 3.48Å; F100-N102 VanDerWaalsContact C-N 3.32Å; F100-N102 PolarHBondContact O-N 3.35Å; F100-Y103 PolarHBondContact O-N 2.81Å; F100-Y103 VanDerWaalsContact O-N 3.13Å; F100-H104 AromaticContact CD2-CD2 3.45Å; F100-H104 VanDerWaalsContact CD2-CD2 3.45Å; F100-H104 WeakPolarHBondContact CD2-CD2 3.46Å; F100-H104 AromaticContact CD2-NE2 3.75Å; F100-H104 AromaticContact CE1-CD2 3.83Å; F100-H104 AromaticContact CE2-CD2 3.12Å; F100-H104 WeakPolarHBondContact CE2-CD2 3.28Å; F100-H104 AromaticContact CE2-NE2 3.19Å; F100-H104 WeakPolarHBondContact CE2-NE2 3.43Å; F100-H104 AromaticContact CG-CD2 3.95Å; F100-H104 AromaticContact CZ-CD2 3.32Å; F100-H104 WeakPolarHBondContact CZ-CD2 3.34Å; F100-H104 AromaticContact CZ-NE2 3.7Å; F100-H104 PolarHBondContact O-CD2 3.35Å; F100-H104 PolarHBondContact O-N 2.98Å
101	L	68.2	Low	66.7	Low	77 Å²	77	76.1 Å²	76.1	40%	0.403	40%	0.396	S	S	.	.	H	α-helix	trans	-62.8	-37.8	176.9	-71.4	172.6	0	0	0	112.1	G97 Y98 Y103 Y105 G106	G97-L101 WeakPolarHBondContact O-CB 3.19Å; G97-L101 VanDerWaalsContact O-CG 3.31Å; G97-L101 WeakPolarHBondContact O-CG 3.09Å; G97-L101 PolarHBondContact O-N 2.94Å; Y98-L101 PolarHBondContact O-N 3.09Å; L101-Y103 VanDerWaalsContact C-N 3.32Å; L101-Y105 HydrophobicContact CD2-CD2 3.81Å; L101-Y105 HydrophobicContact CD2-CE2 4.26Å; L101-Y105 CarbonylContact O-C 3.6Å; L101-Y105 WeakPolarHBondContact O-CA 3.42Å; L101-Y105 WeakPolarHBondContact O-CB 2.99Å; L101-Y105 PolarHBondContact O-N 3.28Å; L101-G106 PolarHBondContact O-N 3.11Å
102	N	66.6	Low	65.5	Low	31 Å²	31	75.8 Å²	75.8	17%	0.166	39%	0.394	C	S	.	.	H	α-helix	trans	-65.1	-34.9	173.9	-75.9	-35.8	0	0	0	112.8	Y98 R99 F100 W107 T108	Y98-N102 VanDerWaalsContact CD1-ND2 3.28Å; Y98-N102 WeakPolarHBondContact CD1-ND2 3.4Å; Y98-N102 WeakPolarHBondContact CE1-ND2 3.35Å; Y98-N102 WeakPolarHBondContact O-CB 3.46Å; Y98-N102 PolarHBondContact O-N 2.94Å; Y98-N102 PolarHBondContact O-ND2 3.24Å; R99-N102 PolarHBondContact O-N 3.22Å; F100-N102 VanDerWaalsContact C-N 3.32Å; F100-N102 PolarHBondContact O-N 3.35Å; N102-W107 PolarHBondContact OD1-O 2.88Å; N102-W107 VanDerWaalsContact OD1-O 3.11Å; N102-T108 HydrophobicContact CB-CG2 4.1Å; N102-T108 PolarHBondContact OD1-N 3.07Å
103	Y	64.9	Low	64.2	Low	156 Å²	156	82.4 Å²	82.4	61%	0.612	42%	0.422	S	S	*	.	H	α-helix	trans	-75.5	-45.6	179.2	-174.8	-95.7	0	0	0	112	R99 F100 L101	R99-Y103 PolarHBondContact O-N 3.45Å; F100-Y103 PolarHBondContact O-N 2.81Å; F100-Y103 VanDerWaalsContact O-N 3.13Å; L101-Y103 VanDerWaalsContact C-N 3.32Å
104	H	66.5	Low	63	Low	105 Å²	105	90.2 Å²	90.2	49%	0.486	46%	0.456	S	S	.	.	H	α-helix	trans	-89.8	-34	-174.7	-74.6	-76	0	0	0	115.1	F100	F100-H104 AromaticContact CD2-CD2 3.45Å; F100-H104 VanDerWaalsContact CD2-CD2 3.45Å; F100-H104 WeakPolarHBondContact CD2-CD2 3.46Å; F100-H104 AromaticContact CD2-NE2 3.75Å; F100-H104 AromaticContact CE1-CD2 3.83Å; F100-H104 AromaticContact CE2-CD2 3.12Å; F100-H104 WeakPolarHBondContact CE2-CD2 3.28Å; F100-H104 AromaticContact CE2-NE2 3.19Å; F100-H104 WeakPolarHBondContact CE2-NE2 3.43Å; F100-H104 AromaticContact CG-CD2 3.95Å; F100-H104 AromaticContact CZ-CD2 3.32Å; F100-H104 WeakPolarHBondContact CZ-CD2 3.34Å; F100-H104 AromaticContact CZ-NE2 3.7Å; F100-H104 PolarHBondContact O-CD2 3.35Å; F100-H104 PolarHBondContact O-N 2.98Å
105	Y	66.3	Low	61.8	Low	163 Å²	163	96.6 Å²	96.6	64%	0.639	47%	0.469	S	S	*	.	S	Bend	trans	-118.8	1.4	-170.6	-65	-83	0	0	0	113.9	L101 W107	L101-Y105 HydrophobicContact CD2-CD2 3.81Å; L101-Y105 HydrophobicContact CD2-CE2 4.26Å; L101-Y105 CarbonylContact O-C 3.6Å; L101-Y105 WeakPolarHBondContact O-CA 3.42Å; L101-Y105 WeakPolarHBondContact O-CB 2.99Å; L101-Y105 PolarHBondContact O-N 3.28Å; Y105-W107 VanDerWaalsContact C-N 3.29Å; Y105-W107 PolarHBondContact O-N 3.38Å
106	G	63.2	Low	60.7	Low	50 Å²	50	96.9 Å²	96.9	52%	0.515	48%	0.475	S	S	.	.			trans	66.2	24.6	174.1	0	0	0	0	0	115	L101 T108	L101-G106 PolarHBondContact O-N 3.11Å; G106-T108 PolarHBondContact O-N 2.78Å
107	W	59.4	Low	59.6	Low	190 Å²	190	103.1 Å²	103.1	72%	0.72	50%	0.502	S	S	*	.			trans	-67.4	29.1	178	-91.3	84.6	0	0	0	115	N102 Y105 L109	N102-W107 PolarHBondContact OD1-O 2.88Å; N102-W107 VanDerWaalsContact OD1-O 3.11Å; Y105-W107 VanDerWaalsContact C-N 3.29Å; Y105-W107 PolarHBondContact O-N 3.38Å; W107-L109 PolarHBondContact O-N 3.34Å
108	T	58.5	Low	58.6	Low	45 Å²	45	106.5 Å²	106.5	28%	0.276	52%	0.52	S	S	.	.			trans	-80.6	110.3	173	48.6	0	0	0	0	110.3	N102 G106 K113	N102-T108 HydrophobicContact CB-CG2 4.1Å; N102-T108 PolarHBondContact OD1-N 3.07Å; G106-T108 PolarHBondContact O-N 2.78Å; T108-K113 HydrophobicContact CG2-CG 4.4Å; T108-K113 WeakPolarHBondContact OG1-CE 3.29Å
109	L	54.9	Low	57.5	Low	116 Å²	116	109 Å²	109	61%	0.607	53%	0.533	S	S	*	.			trans	-46.9	128.7	155.4	-76.8	151.9	0	0	0	108.3	W107 G111 I112	W107-L109 PolarHBondContact O-N 3.34Å; L109-G111 PolarHBondContact O-N 3.02Å; L109-I112 HydrophobicContact CD1-CD1 4.32Å; L109-I112 PolarHBondContact O-N 3.41Å
110	P	51.6	Low	56.7	Low	139 Å²	139	108.2 Å²	108.2	90%	0.903	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	10.7	-171.3	20.7	-31	0	0	0	116.3
111	G	54.9	Low	55.8	Low	56 Å²	56	110.6 Å²	110.6	58%	0.577	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.7	-12.6	-178.7	0	0	0	0	0	117.1	L109	L109-G111 PolarHBondContact O-N 3.02Å
112	I	55	Low	54.9	Low	74 Å²	74	112.8 Å²	112.8	38%	0.379	56%	0.559	S	S	.	*	S	Bend	trans	-91.6	-19.2	-169.7	-62.9	-174.1	0	0	0	113.5	L109 K114 Y115 T116	L109-I112 HydrophobicContact CD1-CD1 4.32Å; L109-I112 PolarHBondContact O-N 3.41Å; I112-K114 PolarHBondContact O-N 3.04Å; I112-Y115 PolarHBondContact O-N 3.24Å; I112-T116 WeakPolarHBondContact CG2-OG1 3.21Å; I112-T116 PolarHBondContact O-N 3.39Å
113	K	50.2	Low	54	Low	142 Å²	142	120.1 Å²	120.1	62%	0.617	59%	0.586	S	S	*	*	H	α-helix	trans	-60.9	-20.7	-176.5	-69.4	-161.9	-172.2	-110.3	0	114.4	T108	T108-K113 HydrophobicContact CG2-CG 4.4Å; T108-K113 WeakPolarHBondContact OG1-CE 3.29Å
114	K	47.2	Very low	53.3	Low	176 Å²	176	116.4 Å²	116.4	77%	0.765	58%	0.579	S	S	*	*	H	α-helix	trans	-81.9	-22.3	-179.3	-74.1	-167	175.6	-175.3	0	115.1	I112 T118	I112-K114 PolarHBondContact O-N 3.04Å; K114-T118 PolarHBondContact O-OG1 2.75Å
115	Y	48.6	Very low	52.6	Low	191 Å²	191	115.1 Å²	115.1	75%	0.749	58%	0.582	S	S	*	*	H	α-helix	trans	-109.4	-27.7	-174	-67.4	-75.7	0	0	0	113.7	I112	I112-Y115 PolarHBondContact O-N 3.24Å
116	T	51.7	Low	51.3	Low	80 Å²	80	116.1 Å²	116.1	49%	0.491	59%	0.585	S	S	.	*	H	α-helix	trans	-87.3	-29.2	-175.7	-53.1	0	0	0	0	113.5	I112 T120	I112-T116 WeakPolarHBondContact CG2-OG1 3.21Å; I112-T116 PolarHBondContact O-N 3.39Å; T116-T120 PolarHBondContact O-OG1 3.4Å
117	F	46.1	Very low	50.6	Low	147 Å²	147	119.5 Å²	119.5	65%	0.645	60%	0.598	S	S	*	*	H	α-helix	trans	-76.8	-33.9	-177.1	-166.7	-105.8	0	0	0	113	L121	F117-L121 HydrophobicContact CD1-CD1 4.38Å; F117-L121 HydrophobicContact CD2-CD1 4.34Å; F117-L121 HydrophobicContact CE1-CD1 3.81Å; F117-L121 HydrophobicContact CE2-CD1 3.76Å; F117-L121 HydrophobicContact CZ-CD1 3.46Å; F117-L121 VanDerWaalsContact CZ-CD1 3.46Å
118	T	48.5	Very low	50.1	Low	84 Å²	84	117.1 Å²	117.1	52%	0.515	60%	0.604	S	S	.	*	H	α-helix	trans	-83	-30.1	-176.5	-12.2	0	0	0	0	112.8	K114 Q122	K114-T118 PolarHBondContact O-OG1 2.75Å; T118-Q122 VanDerWaalsContact O-CB 3.31Å; T118-Q122 WeakPolarHBondContact O-CB 3.38Å
119	F	48.2	Very low	49.4	Very low	149 Å²	149	123.5 Å²	123.5	65%	0.654	63%	0.628	S	S	*	*	H	α-helix	trans	-81	-33.7	-177.9	-161.8	-103.8	0	0	0	112.8
120	T	52.5	Low	48.7	Very low	65 Å²	65	123.6 Å²	123.6	40%	0.399	64%	0.639	S	S	.	*	H	α-helix	trans	-83.2	-38.4	-178.5	-48.3	0	0	0	0	112.7	T116 V124	T116-T120 PolarHBondContact O-OG1 3.4Å; T120-V124 HydrophobicContact CG2-CG2 4.04Å; T120-V124 WeakPolarHBondContact O-CB 3.2Å; T120-V124 VanDerWaalsContact O-CG2 3.29Å; T120-V124 WeakPolarHBondContact O-CG2 3.05Å; T120-V124 PolarHBondContact O-N 3.22Å
121	L	49.3	Very low	48.5	Very low	86 Å²	86	120 Å²	120	45%	0.45	62%	0.621	S	S	.	*	H	α-helix	trans	-75.5	-26.9	179.1	-68.1	-170	0	0	0	113.9	F117 S125	F117-L121 HydrophobicContact CD1-CD1 4.38Å; F117-L121 HydrophobicContact CD2-CD1 4.34Å; F117-L121 HydrophobicContact CE1-CD1 3.81Å; F117-L121 HydrophobicContact CE2-CD1 3.76Å; F117-L121 HydrophobicContact CZ-CD1 3.46Å; F117-L121 VanDerWaalsContact CZ-CD1 3.46Å; L121-S125 VanDerWaalsContact O-CB 3.27Å; L121-S125 WeakPolarHBondContact O-CB 3.27Å; L121-S125 PolarHBondContact O-N 3.03Å; L121-S125 PolarHBondContact O-OG 3.19Å; L121-S125 VanDerWaalsContact O-OG 3.08Å
122	Q	49	Very low	47.8	Very low	123 Å²	123	126.8 Å²	126.8	58%	0.575	63%	0.634	S	S	*	*	H	α-helix	trans	-77.9	-21.4	179.3	-169	160.4	-42.6	0	0	113.5	T118	T118-Q122 VanDerWaalsContact O-CB 3.31Å; T118-Q122 WeakPolarHBondContact O-CB 3.38Å
123	Y	46.6	Very low	47.4	Very low	186 Å²	186	130 Å²	130	73%	0.729	65%	0.652	S	S	*	*	H	α-helix	trans	-104.9	-25.9	179.2	-99.4	-89.7	0	0	0	114.4
124	V	50.9	Low	47.3	Very low	77 Å²	77	131.4 Å²	131.4	47%	0.467	66%	0.661	S	S	.	*	H	α-helix	trans	-88.7	-26.6	179.6	172.3	0	0	0	0	112.6	T120	T120-V124 HydrophobicContact CG2-CG2 4.04Å; T120-V124 WeakPolarHBondContact O-CB 3.2Å; T120-V124 VanDerWaalsContact O-CG2 3.29Å; T120-V124 WeakPolarHBondContact O-CG2 3.05Å; T120-V124 PolarHBondContact O-N 3.22Å
125	S	51.5	Low	47.3	Very low	78 Å²	78	128.1 Å²	128.1	55%	0.545	66%	0.66	S	S	.	*	S	Bend	trans	-94	7.9	-175.8	-49.2	0	0	0	0	114.8	L121 P127	L121-S125 VanDerWaalsContact O-CB 3.27Å; L121-S125 WeakPolarHBondContact O-CB 3.27Å; L121-S125 PolarHBondContact O-N 3.03Å; L121-S125 PolarHBondContact O-OG 3.19Å; L121-S125 VanDerWaalsContact O-OG 3.08Å; S125-P127 WeakPolarHBondContact O-CD 3.31Å
126	R	40	Very low	47.1	Very low	185 Å²	185	125.5 Å²	125.5	70%	0.698	66%	0.664	S	S	*	*			trans	-95.4	100.7	173.1	-70.4	-157.5	-172	-122.5	3.8	110.2	T128	R126-T128 PolarHBondContact O-N 3.04Å
127	P	47.7	Very low	46.8	Very low	121 Å²	121	131.6 Å²	131.6	79%	0.786	68%	0.684	S	S	*	*			trans	-65.5	103.4	163.3	27	-31.8	0	0	0	108.6	S125 F129	S125-P127 WeakPolarHBondContact O-CD 3.31Å; P127-F129 PolarHBondContact O-N 3.04Å
128	T	48.6	Very low	47	Very low	139 Å²	139	136.2 Å²	136.2	85%	0.853	72%	0.715	S	S	*	*			trans	-75	80.6	163.6	46.9	0	0	0	0	108.9	R126	R126-T128 PolarHBondContact O-N 3.04Å
129	F	43.8	Very low	46.9	Very low	179 Å²	179	138.8 Å²	138.8	79%	0.785	73%	0.725	S	S	*	*			trans	-152.6	66	156.2	-160.8	-106.6	0	0	0	109.7	P127 A131	P127-F129 PolarHBondContact O-N 3.04Å; F129-A131 HydrophobicContact CD1-CB 4.03Å; F129-A131 HydrophobicContact CE1-CB 3.55Å; F129-A131 HydrophobicContact CZ-CB 3.91Å; F129-A131 PolarHBondContact O-N 3.08Å
130	S	41.3	Very low	46.8	Very low	119 Å²	119	138.3 Å²	138.3	83%	0.832	73%	0.729	S	S	*	*			trans	-79.6	83.2	157.1	179.5	0	0	0	0	106.6	K132	S130-K132 PolarHBondContact O-N 3.36Å
131	A	46.2	Very low	46.5	Very low	63 Å²	63	142.3 Å²	142.3	52%	0.521	75%	0.748	S	S	.	*			trans	-59.1	108.3	169	0	0	0	0	0	109	F129 N133	F129-A131 HydrophobicContact CD1-CB 4.03Å; F129-A131 HydrophobicContact CE1-CB 3.55Å; F129-A131 HydrophobicContact CZ-CB 3.91Å; F129-A131 PolarHBondContact O-N 3.08Å; A131-N133 PolarHBondContact O-N 3.29Å
132	K	41.7	Very low	46.4	Very low	198 Å²	198	145.6 Å²	145.6	86%	0.861	77%	0.765	S	S	*	*			trans	-72.6	103.9	154.1	-76.5	-176.7	171.6	-166.9	0	107	S130	S130-K132 PolarHBondContact O-N 3.36Å
133	N	46.5	Very low	46.2	Very low	141 Å²	141	147.1 Å²	147.1	75%	0.754	78%	0.777	S	S	*	*			trans	-137.4	103.3	153	-109	16.5	0	0	0	103.6	A131	A131-N133 PolarHBondContact O-N 3.29Å
134	E	46.9	Very low	46.2	Very low	173 Å²	173	144.5 Å²	144.5	81%	0.808	78%	0.78	S	S	*	*				61.2	130.6	79.9	-73.1	-173.3	167.1	0	0	113.7
135	S	48.6	Very low	45.8	Very low	106 Å²	106	149.3 Å²	149.3	74%	0.741	80%	0.803	S	S	*	*			trans	75.1	98.8	178	69.4	0	0	0	0	116.9
136	T	44.2	Very low	45.4	Very low	136 Å²	136	154.8 Å²	154.8	83%	0.834	82%	0.822	S	S	*	*				39	86.5	71.1	66.8	0	0	0	0	113.9
137	F	44.6	Very low	45.9	Very low	208 Å²	208	152.3 Å²	152.3	91%	0.912	83%	0.833	S	S	*	*			trans	-153.7	95	154.5	-135.5	-90.6	0	0	0	109
138	N	50.4	Low	45.7	Very low	244 Å²	244	155.1 Å²	155.1	100%	1.305	84%	0.837	S	S	*	*			trans	-154.8	0	157.9	-91.2	-27.9	0	0	0	106.5

Retrieved 138 of 138 residues in 107.8 ms (Link to these results)

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