A0A5K4EHF1_SCHMA Loading...

mitogen-activated protein kinase kinase

AlphaFold DB , UniProt , Accession A0A5K4EHF1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 325 aa.

Structure Viewer

Loading PAE data...

(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	38.1	Very low	31.4	Very low	233 Å²	233	187.1 Å²	187.1	100%	1.148	85%	0.848	S	S	*	*				0	116.2	0	-128.2	175.8	-151.9	0	0	106.5	F3	M1-F3 PolarHBondContact O-N 3.11Å
2	Y	35.7	Very low	31.5	Very low	238 Å²	238	190.8 Å²	190.8	93%	0.933	85%	0.85	S	S	*	*			trans	-61.8	125.1	-170.9	-79.8	-97.2	0	0	0	111.3	L4	Y2-L4 PolarHBondContact O-N 3.23Å; Y2-L4 VanDerWaalsContact O-N 3.07Å
3	F	34.3	Very low	31.5	Very low	193 Å²	193	186.3 Å²	186.3	85%	0.846	84%	0.839	S	S	*	*			trans	-68.5	100.7	168.4	-86.4	-94.8	0	0	0	108.4	M1 Y5	M1-F3 PolarHBondContact O-N 3.11Å; F3-Y5 VanDerWaalsContact C-N 3.31Å; F3-Y5 PolarHBondContact O-N 2.77Å
4	L	34	Very low	31.8	Very low	144 Å²	144	181.4 Å²	181.4	75%	0.754	83%	0.834	S	S	*	*			trans	-65	92.5	164.9	-83.4	152.9	0	0	0	107.9	Y2 F6	Y2-L4 PolarHBondContact O-N 3.23Å; Y2-L4 VanDerWaalsContact O-N 3.07Å; L4-F6 VanDerWaalsContact C-N 3.31Å; L4-F6 HydrophobicContact CB-CE2 4.41Å; L4-F6 WeakPolarHBondContact O-CD2 3.37Å; L4-F6 PolarHBondContact O-N 2.83Å
5	Y	33.3	Very low	32.4	Very low	209 Å²	209	175.8 Å²	175.8	82%	0.82	82%	0.818	S	S	*	*			trans	-63.3	99.9	160.2	-91.7	-92.9	0	0	0	107	F3 Y7	F3-Y5 VanDerWaalsContact C-N 3.31Å; F3-Y5 PolarHBondContact O-N 2.77Å; Y5-Y7 PolarHBondContact O-N 2.94Å
6	F	30.6	Very low	32.9	Very low	185 Å²	185	174.9 Å²	174.9	81%	0.811	82%	0.819	S	S	*	*			trans	-60.9	93.9	164.6	-75	-88.5	0	0	0	107.5	L4 R8	L4-F6 VanDerWaalsContact C-N 3.31Å; L4-F6 HydrophobicContact CB-CE2 4.41Å; L4-F6 WeakPolarHBondContact O-CD2 3.37Å; L4-F6 PolarHBondContact O-N 2.83Å; F6-R8 PolarHBondContact O-N 3.13Å
7	Y	26.6	Very low	33.6	Very low	219 Å²	219	170.2 Å²	170.2	86%	0.859	80%	0.795	S	S	*	*			trans	-59.6	91.9	160.8	-121.1	-93.9	0	0	0	106.1	Y5 Q9	Y5-Y7 PolarHBondContact O-N 2.94Å; Y7-Q9 PolarHBondContact O-N 2.95Å
8	R	26.1	Very low	34.5	Very low	227 Å²	227	160.9 Å²	160.9	86%	0.857	75%	0.752	S	S	*	*			trans	-59.6	108.2	164.1	-80	-172.9	174.3	-170.7	-1.2	105.1	F6	F6-R8 PolarHBondContact O-N 3.13Å
9	Q	25.9	Very low	35.9	Very low	168 Å²	168	154.7 Å²	154.7	79%	0.785	73%	0.725	S	S	*	*			trans	-52.2	129.6	168.1	-75.6	-164.9	-15.2	0	0	107.1	Y7 V11	Y7-Q9 PolarHBondContact O-N 2.95Å; Q9-V11 PolarHBondContact O-N 3.49Å; Q9-V11 VanDerWaalsContact O-N 3.09Å
10	P	29.2	Very low	37.7	Very low	113 Å²	113	150.2 Å²	150.2	73%	0.734	72%	0.721	S	S	*	*			trans	-54	125.3	173.7	21.1	-29.5	0	0	0	106.9	R12	P10-R12 PolarHBondContact O-N 3.37Å
11	V	31.7	Very low	39.8	Very low	129 Å²	129	144.3 Å²	144.3	78%	0.782	69%	0.694	S	S	*	*			trans	-46.9	115.7	169.9	177.6	0	0	0	0	105	Q9 D13	Q9-V11 PolarHBondContact O-N 3.49Å; Q9-V11 VanDerWaalsContact O-N 3.09Å; V11-D13 PolarHBondContact O-N 2.81Å
12	R	32.6	Very low	42.1	Very low	232 Å²	232	139.2 Å²	139.2	88%	0.875	67%	0.665	S	S	*	*			trans	-62.1	94.3	170.6	-74.7	-179.5	179.1	-175.8	-0.7	104.5	P10	P10-R12 PolarHBondContact O-N 3.37Å
13	D	31.7	Very low	44.7	Very low	132 Å²	132	133.5 Å²	133.5	71%	0.706	65%	0.647	S	S	*	*			trans	-47.9	128.6	161.7	-91.4	-35.2	0	0	0	105.4	V11 V15	V11-D13 PolarHBondContact O-N 2.81Å; D13-V15 PolarHBondContact O-N 2.94Å
14	P	35.4	Very low	47.5	Very low	117 Å²	117	128.8 Å²	128.8	76%	0.76	63%	0.627	S	S	*	*			trans	-52.9	111.2	178.9	21.6	-30.2	0	0	0	105.1	L16	P14-L16 VanDerWaalsContact C-N 3.35Å; P14-L16 PolarHBondContact O-N 3.33Å
15	V	41.4	Very low	50.3	Low	98 Å²	98	122.9 Å²	122.9	59%	0.594	60%	0.599	S	S	*	*			trans	-42.7	105.5	-171	176.4	0	0	0	0	105.7	D13 F17	D13-V15 PolarHBondContact O-N 2.94Å; V15-F17 VanDerWaalsContact C-N 3.26Å; V15-F17 WeakPolarHBondContact O-CA 2.97Å; V15-F17 PolarHBondContact O-N 2.71Å
16	L	39.2	Very low	53	Low	161 Å²	161	121.3 Å²	121.3	84%	0.843	60%	0.597	S	S	*	*			trans	-55.3	105.8	177.2	-159.8	103.1	0	0	0	102.9	P14	P14-L16 VanDerWaalsContact C-N 3.35Å; P14-L16 PolarHBondContact O-N 3.33Å
17	F	45.1	Very low	55.7	Low	95 Å²	95	112.9 Å²	112.9	42%	0.417	56%	0.56	S	S	.	*			trans	-48.6	117.8	-163.7	-94.2	-90.9	0	0	0	106.4	V15 L19 G20 L21 F107	V15-F17 VanDerWaalsContact C-N 3.26Å; V15-F17 WeakPolarHBondContact O-CA 2.97Å; V15-F17 PolarHBondContact O-N 2.71Å; F17-L19 PolarHBondContact O-N 3.45Å; F17-G20 PolarHBondContact O-N 3.15Å; F17-L21 VanDerWaalsContact CB-O 3.22Å; F17-L21 WeakPolarHBondContact CB-O 3.23Å; F17-L21 WeakPolarHBondContact CD1-O 3.35Å; F17-L21 WeakPolarHBondContact CG-O 3.44Å; F17-F107 HydrophobicContact CD1-CB 4.3Å; F17-F107 AromaticContact CD1-CD1 3.54Å; F17-F107 HydrophobicContact CD1-CD1 3.54Å; F17-F107 HydrophobicContact CD1-CE1 4.31Å; F17-F107 HydrophobicContact CD1-CG 4.29Å; F17-F107 AromaticContact CE1-CD1 3.86Å; F17-F107 HydrophobicContact CE1-CD1 3.86Å
18	P	51	Low	58.6	Low	3 Å²	3	107.2 Å²	107.2	2%	0.019	54%	0.544	C	S	.	.	G	3₁₀ helix	trans	-56.1	124.4	-173.3	22.3	-30.9	0	0	0	106	G20 V74 F107	P18-G20 PolarHBondContact O-N 3.42Å; P18-V74 HydrophobicContact CB-CG1 4.22Å; P18-V74 HydrophobicContact CG-CG1 4.45Å; P18-F107 HydrophobicContact CB-CE2 4.46Å; P18-F107 HydrophobicContact CG-CD1 4.14Å; P18-F107 HydrophobicContact CG-CD2 3.51Å; P18-F107 HydrophobicContact CG-CE1 3.78Å; P18-F107 HydrophobicContact CG-CE2 3.12Å; P18-F107 HydrophobicContact CG-CG 3.99Å; P18-F107 HydrophobicContact CG-CZ 3.24Å
19	L	61.1	Low	61.5	Low	44 Å²	44	97.9 Å²	97.9	23%	0.23	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	79.4	2.6	176.8	-40.8	164.3	0	0	0	116.6	F17 L21 R81 I84 V112	F17-L19 PolarHBondContact O-N 3.45Å; L19-L21 HydrophobicContact CB-CD1 4.12Å; L19-L21 HydrophobicContact CB-CG 3.99Å; L19-L21 HydrophobicContact CD1-CD1 3.89Å; L19-L21 PolarHBondContact O-N 2.61Å; L19-R81 HydrophobicContact CD2-CB 3.6Å; L19-R81 HydrophobicContact CD2-CG 4.14Å; L19-R81 WeakPolarHBondContact CD2-O 3.46Å; L19-I84 HydrophobicContact CD1-CB 3.83Å; L19-I84 HydrophobicContact CD1-CG2 3.55Å; L19-V112 HydrophobicContact CD1-CG2 3.67Å
20	G	70.6	Confident	64.2	Low	63 Å²	63	93.2 Å²	93.2	65%	0.649	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	73.2	8.4	-174.9	0	0	0	0	0	114.1	F17 P18	F17-G20 PolarHBondContact O-N 3.15Å; P18-G20 PolarHBondContact O-N 3.42Å
21	L	82.2	Confident	66.7	Low	27 Å²	27	93.8 Å²	93.8	14%	0.141	52%	0.515	C	S	.	.			trans	-74.7	146.3	174.1	-62.2	174.9	0	0	0	110.4	F17 L19 L88 F107 V112	F17-L21 VanDerWaalsContact CB-O 3.22Å; F17-L21 WeakPolarHBondContact CB-O 3.23Å; F17-L21 WeakPolarHBondContact CD1-O 3.35Å; F17-L21 WeakPolarHBondContact CG-O 3.44Å; L19-L21 HydrophobicContact CB-CD1 4.12Å; L19-L21 HydrophobicContact CB-CG 3.99Å; L19-L21 HydrophobicContact CD1-CD1 3.89Å; L19-L21 PolarHBondContact O-N 2.61Å; L21-L88 HydrophobicContact CD1-CD1 3.56Å; L21-L88 HydrophobicContact CD2-CD1 3.86Å; L21-L88 HydrophobicContact CG-CD1 4.26Å; L21-F107 HydrophobicContact CB-CB 3.79Å; L21-V112 HydrophobicContact CD1-CB 4.5Å; L21-V112 HydrophobicContact CD1-CG1 3.77Å; L21-V112 HydrophobicContact CD1-CG2 3.97Å
22	K	87.2	Confident	69.4	Low	127 Å²	127	91.7 Å²	91.7	55%	0.552	50%	0.497	S	S	*	.			trans	-114.1	173.2	177.1	-60.4	-179.7	-178.3	179.9	0	109.7	E24 L106 F107	K22-E24 WeakPolarHBondContact CB-O 3.4Å; K22-E24 PolarHBondContact O-N 2.76Å; K22-L106 CarbonylContact O-C 3.52Å; K22-L106 WeakPolarHBondContact O-CA 3.23Å; K22-F107 PolarHBondContact O-N 3.43Å
23	E	90.4	Very high	72.1	Confident	118 Å²	118	87.6 Å²	87.6	55%	0.551	49%	0.492	S	S	*	.	S	Bend	trans	-67.8	-8.4	169.4	-69.3	177.9	-169.1	0	0	112.7	H37 A38 F107	E23-H37 CarbonylContact O-C 3.6Å; E23-H37 WeakPolarHBondContact O-CA 3.38Å; E23-A38 PolarHBondContact O-N 2.84Å; E23-F107 WeakPolarHBondContact CA-O 2.99Å; E23-F107 VanDerWaalsContact CG-O 3.26Å; E23-F107 WeakPolarHBondContact CG-O 3.19Å
24	E	92.5	Very high	75	Confident	93 Å²	93	81.6 Å²	81.6	44%	0.435	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	150.6	177.2	71.9	-174.3	-154.9	0	0	111.7	K22 I36 H37	K22-E24 WeakPolarHBondContact CB-O 3.4Å; K22-E24 PolarHBondContact O-N 2.76Å; E24-I36 CarbonylContact C-O 3.58Å; E24-I36 WeakPolarHBondContact CA-O 3.35Å; E24-H37 WeakPolarHBondContact CB-ND1 3.36Å; E24-H37 IonicContact OE2-CE1 2.65Å; E24-H37 PolarHBondContact OE2-CE1 3.28Å; E24-H37 IonicContact OE2-ND1 3.59Å; E24-H37 PolarHBondContact OE2-ND1 3.48Å
25	A	92	Very high	77.8	Confident	20 Å²	20	78.9 Å²	78.9	17%	0.165	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	154.2	172.5	0	0	0	0	0	110.4	T35 I36 C104 L106	A25-T35 WeakPolarHBondContact O-CA 3.43Å; A25-I36 HydrophobicContact CB-CG2 4.36Å; A25-I36 PolarHBondContact N-O 3.29Å; A25-I36 PolarHBondContact O-N 2.75Å; A25-C104 HydrophobicContact CB-CB 3.73Å; A25-L106 HydrophobicContact CB-CD2 3.59Å
26	K	89.9	Confident	80.3	Confident	176 Å²	176	74.2 Å²	74.2	77%	0.765	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	137	168	-66.9	-173.7	176.6	-173.1	0	108.8	I34	K26-I34 WeakPolarHBondContact CA-O 3.3Å
27	M	88.6	Confident	83	Confident	8 Å²	8	69 Å²	69	4%	0.039	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	151.4	175.4	67.5	-175.6	-172	0	0	110.4	I34 I36 F67 Y103 C104	M27-I34 HydrophobicContact CE-CB 4.21Å; M27-I34 HydrophobicContact CE-CD1 4.33Å; M27-I34 HydrophobicContact CE-CG2 4.11Å; M27-I34 HydrophobicContact CG-CB 4.31Å; M27-I34 PolarHBondContact N-O 3.29Å; M27-I34 PolarHBondContact O-N 3Å; M27-I36 HydrophobicContact CE-CB 4.31Å; M27-I36 HydrophobicContact CE-CD1 3.89Å; M27-I36 HydrophobicContact SD-CD1 4.4Å; M27-I36 HydrophobicContact SD-CG2 4.18Å; M27-F67 HydrophobicContact CE-CE1 3.96Å; M27-F67 HydrophobicContact CE-CE2 3.89Å; M27-F67 HydrophobicContact CE-CZ 3.36Å; M27-Y103 VanDerWaalsContact SD-CB 3.58Å; M27-Y103 HydrophobicContact SD-CG 4.14Å; M27-C104 HydrophobicContact CB-CB 4.48Å
28	L	85.9	Confident	85.3	Confident	101 Å²	101	64.9 Å²	64.9	53%	0.529	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.9	173	-178.4	68.7	0	0	0	108.7	G30 D33	L28-G30 WeakPolarHBondContact CG-O 3.5Å; L28-D33 WeakPolarHBondContact CD1-OD1 3.19Å
29	L	87.1	Confident	87.4	Confident	30 Å²	30	72.8 Å²	72.8	16%	0.157	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	99.7	174.1	-173.7	67.2	0	0	0	109.2	S31 E32 I34 H65 F67 Y103	L29-S31 PolarHBondContact O-N 3.1Å; L29-E32 PolarHBondContact N-O 3.33Å; L29-E32 WeakPolarHBondContact O-CB 3.46Å; L29-E32 PolarHBondContact O-N 2.77Å; L29-I34 HydrophobicContact CB-CD1 3.72Å; L29-I34 HydrophobicContact CD2-CD1 3.79Å; L29-I34 HydrophobicContact CG-CD1 4.42Å; L29-H65 HydrophobicContact CD2-CB 4.13Å; L29-H65 WeakPolarHBondContact CD2-CD2 3.47Å; L29-F67 HydrophobicContact CD1-CE1 4.25Å; L29-F67 HydrophobicContact CD2-CE1 4.32Å; L29-F67 HydrophobicContact CD2-CZ 4.08Å; L29-Y103 HydrophobicContact CD1-CD1 4.42Å; L29-Y103 HydrophobicContact CD1-CE1 3.6Å; L29-Y103 HydrophobicContact CD1-CE2 4.22Å; L29-Y103 VanDerWaalsContact CD1-CZ 3.48Å; L29-Y103 WeakPolarHBondContact CD1-OH 3.23Å
30	G	83.4	Confident	89.1	Confident	71 Å²	71	72.4 Å²	72.4	73%	0.732	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	-108	-170.5	0	0	0	0	0	110.7	L28	L28-G30 WeakPolarHBondContact CG-O 3.5Å
31	S	82.5	Confident	90.3	Very high	125 Å²	125	70 Å²	70	87%	0.874	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	5.4	174.7	59.8	0	0	0	0	113.6	L29	L29-S31 PolarHBondContact O-N 3.1Å
32	E	87.1	Confident	91.1	Very high	85 Å²	85	76 Å²	76	40%	0.397	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.9	-176.2	-166.9	-175.9	178.6	0	0	110.7	L29 I34 H65	L29-E32 PolarHBondContact N-O 3.33Å; L29-E32 WeakPolarHBondContact O-CB 3.46Å; L29-E32 PolarHBondContact O-N 2.77Å; E32-I34 HydrophobicContact CB-CD1 4.44Å; E32-I34 HydrophobicContact CB-CG1 4.25Å; E32-I34 HydrophobicContact CG-CD1 4.15Å; E32-I34 HydrophobicContact CG-CG1 3.73Å; E32-H65 IonicContact OE2-CD2 2.64Å; E32-H65 IonicContact OE2-CE1 3.03Å; E32-H65 IonicContact OE2-NE2 3.49Å; E32-H65 PolarHBondContact OE2-NE2 3.12Å
33	D	89.9	Confident	91.5	Very high	145 Å²	145	75 Å²	75	78%	0.775	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	113.2	170	-81.1	-32.7	0	0	0	109.8	L28	L28-D33 WeakPolarHBondContact CD1-OD1 3.19Å
34	I	91.6	Very high	91.8	Very high	7 Å²	7	73.3 Å²	73.3	4%	0.036	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.2	-176.4	-55.1	175.6	0	0	0	108.8	K26 M27 L29 E32 T63	K26-I34 WeakPolarHBondContact CA-O 3.3Å; M27-I34 HydrophobicContact CE-CB 4.21Å; M27-I34 HydrophobicContact CE-CD1 4.33Å; M27-I34 HydrophobicContact CE-CG2 4.11Å; M27-I34 HydrophobicContact CG-CB 4.31Å; M27-I34 PolarHBondContact N-O 3.29Å; M27-I34 PolarHBondContact O-N 3Å; L29-I34 HydrophobicContact CB-CD1 3.72Å; L29-I34 HydrophobicContact CD2-CD1 3.79Å; L29-I34 HydrophobicContact CG-CD1 4.42Å; E32-I34 HydrophobicContact CB-CD1 4.44Å; E32-I34 HydrophobicContact CB-CG1 4.25Å; E32-I34 HydrophobicContact CG-CD1 4.15Å; E32-I34 HydrophobicContact CG-CG1 3.73Å; I34-T63 HydrophobicContact CD1-CG2 4.35Å; I34-T63 HydrophobicContact CG2-CG2 4.09Å
35	T	94.3	Very high	91.8	Very high	60 Å²	60	70.7 Å²	70.7	37%	0.368	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	118.7	163.6	-56.2	0	0	0	0	107.7	A25	A25-T35 WeakPolarHBondContact O-CA 3.43Å
36	I	93.9	Very high	91.8	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.4	179.4	-167.1	161	0	0	0	109.3	E24 A25 M27 L41 H60 F67 C104 L106 V115	E24-I36 CarbonylContact C-O 3.58Å; E24-I36 WeakPolarHBondContact CA-O 3.35Å; A25-I36 HydrophobicContact CB-CG2 4.36Å; A25-I36 PolarHBondContact N-O 3.29Å; A25-I36 PolarHBondContact O-N 2.75Å; M27-I36 HydrophobicContact CE-CB 4.31Å; M27-I36 HydrophobicContact CE-CD1 3.89Å; M27-I36 HydrophobicContact SD-CD1 4.4Å; M27-I36 HydrophobicContact SD-CG2 4.18Å; I36-L41 HydrophobicContact CD1-CD1 4.07Å; I36-L41 HydrophobicContact CD1-CD2 3.75Å; I36-L41 HydrophobicContact CD1-CG 3.96Å; I36-L41 HydrophobicContact CG1-CD1 4.38Å; I36-L41 HydrophobicContact CG1-CD2 4.49Å; I36-L41 HydrophobicContact CG1-CG 4.22Å; I36-H60 HydrophobicContact CD1-CB 4.43Å; I36-F67 HydrophobicContact CD1-CD2 4.4Å; I36-F67 HydrophobicContact CD1-CE2 4.24Å; I36-C104 VanDerWaalsContact CG2-SG 3.56Å; I36-L106 HydrophobicContact CG2-CD1 4.26Å; I36-L106 HydrophobicContact CG2-CD2 4.29Å; I36-V115 HydrophobicContact CD1-CG1 4.22Å; I36-V115 HydrophobicContact CD1-CG2 4.41Å
37	H	95.9	Very high	91.8	Very high	50 Å²	50	68.1 Å²	68.1	23%	0.231	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.8	170	-56.9	-101.1	0	0	0	109.7	E23 E24 K39 D40	E23-H37 CarbonylContact O-C 3.6Å; E23-H37 WeakPolarHBondContact O-CA 3.38Å; E24-H37 WeakPolarHBondContact CB-ND1 3.36Å; E24-H37 IonicContact OE2-CE1 2.65Å; E24-H37 PolarHBondContact OE2-CE1 3.28Å; E24-H37 IonicContact OE2-ND1 3.59Å; E24-H37 PolarHBondContact OE2-ND1 3.48Å; H37-K39 HydrophobicContact CB-CG 3.98Å; H37-K39 PolarHBondContact O-N 3.05Å; H37-D40 HydrophobicContact CB-CB 4.46Å; H37-D40 WeakPolarHBondContact CB-OD2 3.2Å; H37-D40 IonicContact CD2-OD2 3.49Å; H37-D40 PolarHBondContact CD2-OD2 3.45Å; H37-D40 IonicContact CG-OD2 2.78Å; H37-D40 WeakPolarHBondContact O-CB 3.38Å; H37-D40 PolarHBondContact O-N 3.14Å
38	A	93.8	Very high	91.6	Very high	10 Å²	10	69 Å²	69	8%	0.083	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-57.9	-35.2	179.6	0	0	0	0	0	112.6	E23 D40 L41 L106 C108 L113	E23-A38 PolarHBondContact O-N 2.84Å; A38-D40 PolarHBondContact O-N 2.97Å; A38-L41 PolarHBondContact O-N 3.42Å; A38-L106 HydrophobicContact CB-CB 4.47Å; A38-L106 HydrophobicContact CB-CD1 4.15Å; A38-C108 HydrophobicContact CB-CB 3.56Å; A38-L113 HydrophobicContact CB-CD2 4.45Å
39	K	95.2	Very high	91.3	Very high	168 Å²	168	68.6 Å²	68.6	73%	0.73	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-66.2	-22.3	176.2	69.8	-177.9	-177.2	-178.3	0	114.2	H37	H37-K39 HydrophobicContact CB-CG 3.98Å; H37-K39 PolarHBondContact O-N 3.05Å
40	D	96.7	Very high	90.3	Very high	36 Å²	36	69.3 Å²	69.3	19%	0.193	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-91.3	-7.2	-177.4	-65.1	-28.8	0	0	0	111.7	H37 A38 H60 T61 P62	H37-D40 HydrophobicContact CB-CB 4.46Å; H37-D40 WeakPolarHBondContact CB-OD2 3.2Å; H37-D40 IonicContact CD2-OD2 3.49Å; H37-D40 PolarHBondContact CD2-OD2 3.45Å; H37-D40 IonicContact CG-OD2 2.78Å; H37-D40 WeakPolarHBondContact O-CB 3.38Å; H37-D40 PolarHBondContact O-N 3.14Å; A38-D40 PolarHBondContact O-N 2.97Å; D40-H60 WeakPolarHBondContact O-CA 3.49Å; D40-T61 PolarHBondContact O-N 2.86Å; D40-T61 PolarHBondContact O-OG1 3.34Å; D40-P62 HydrophobicContact CB-CG 4.16Å
41	L	97.2	Very high	89.2	Confident	13 Å²	13	72.3 Å²	72.3	7%	0.068	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	113.7	170.6	-76.1	169.6	0	0	0	110.1	I36 A38 M58 H60 F67 V69 L106 V115	I36-L41 HydrophobicContact CD1-CD1 4.07Å; I36-L41 HydrophobicContact CD1-CD2 3.75Å; I36-L41 HydrophobicContact CD1-CG 3.96Å; I36-L41 HydrophobicContact CG1-CD1 4.38Å; I36-L41 HydrophobicContact CG1-CD2 4.49Å; I36-L41 HydrophobicContact CG1-CG 4.22Å; A38-L41 PolarHBondContact O-N 3.42Å; L41-M58 HydrophobicContact CB-CE 4.01Å; L41-M58 HydrophobicContact CB-SD 4.19Å; L41-M58 HydrophobicContact CD2-CB 4.16Å; L41-M58 VanDerWaalsContact O-CE 3.27Å; L41-M58 WeakPolarHBondContact O-CE 3.36Å; L41-H60 HydrophobicContact CD2-CB 4.35Å; L41-F67 HydrophobicContact CD2-CD2 4.28Å; L41-V69 HydrophobicContact CD1-CG2 4.23Å; L41-V69 HydrophobicContact CD2-CG2 4.32Å; L41-L106 HydrophobicContact CD1-CD1 3.88Å; L41-V115 HydrophobicContact CD1-CG2 4.01Å
42	R	97.2	Very high	88.3	Confident	154 Å²	154	67.3 Å²	67.3	58%	0.581	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.3	177.5	-170.2	177.9	67.4	103.9	0.6	111.2	I44 M58 I59 T61	R42-I44 PolarHBondContact O-N 3.3Å; R42-M58 CarbonylContact O-C 3.6Å; R42-M58 VanDerWaalsContact O-CA 3.23Å; R42-M58 WeakPolarHBondContact O-CA 3.42Å; R42-I59 HydrophobicContact CB-CG2 4.06Å; R42-I59 PolarHBondContact N-O 3.24Å; R42-I59 PolarHBondContact O-N 3.17Å; R42-T61 HydrophobicContact CB-CG2 4.05Å
43	K	96.2	Very high	87.9	Confident	104 Å²	104	64.5 Å²	64.5	45%	0.452	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	131.9	176.3	-177.8	-178.4	-177.5	160.2	0	111.7	E56 M58	K43-E56 WeakPolarHBondContact CD-OE2 3.46Å; K43-E56 VanDerWaalsContact CE-OE1 3.29Å; K43-E56 WeakPolarHBondContact CE-OE1 3.28Å; K43-E56 IonicContact NZ-OE1 3.72Å; K43-E56 PolarHBondContact NZ-OE1 3.27Å; K43-E56 IonicContact NZ-OE2 2.76Å; K43-M58 HydrophobicContact CB-CE 4.13Å
44	I	96	Very high	87.8	Confident	84 Å²	84	62.1 Å²	62.1	43%	0.431	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-53.2	168.3	-65.3	165.1	0	0	0	109.9	R42 K57 I59 V66	R42-I44 PolarHBondContact O-N 3.3Å; I44-K57 WeakPolarHBondContact CA-O 3.36Å; I44-K57 HydrophobicContact CB-CB 4.49Å; I44-K57 HydrophobicContact CB-CG 4.26Å; I44-K57 WeakPolarHBondContact CB-O 3.39Å; I44-K57 HydrophobicContact CD1-CG 4.35Å; I44-K57 HydrophobicContact CG2-CD 4.46Å; I44-K57 PolarHBondContact N-O 3.42Å; I44-I59 HydrophobicContact CD1-CB 3.63Å; I44-I59 HydrophobicContact CD1-CG2 3.92Å; I44-I59 HydrophobicContact CG1-CB 4.24Å; I44-I59 HydrophobicContact CG1-CG2 3.98Å; I44-V66 HydrophobicContact CD1-CG1 3.89Å; I44-V66 HydrophobicContact CD1-CG2 4.34Å
45	A	93.9	Very high	87.8	Confident	37 Å²	37	63.4 Å²	63.4	31%	0.306	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	159.6	-173.1	0	0	0	0	0	112.4	E56 K57	A45-E56 CarbonylContact O-C 3.41Å; A45-E56 WeakPolarHBondContact O-CA 3.18Å; A45-K57 HydrophobicContact CB-CB 4.16Å; A45-K57 PolarHBondContact N-O 3.22Å; A45-K57 PolarHBondContact O-N 2.68Å
46	H	92.4	Very high	87.8	Confident	93 Å²	93	61 Å²	61	43%	0.431	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	131.3	169.4	-176.9	67.6	0	0	0	109.8	G48 S49	H46-G48 PolarHBondContact CE1-O 3.37Å; H46-G48 PolarHBondContact NE2-O 2.84Å; H46-S49 PolarHBondContact CE1-OG 2.74Å; H46-S49 PolarHBondContact NE2-OG 3.37Å
47	L	89.3	Confident	87.9	Confident	49 Å²	49	62.4 Å²	62.4	26%	0.257	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-36.1	-179.5	-65.6	175.6	0	0	0	112.5	V55 K57 A68 L118 K125	L47-V55 HydrophobicContact CB-CB 4.28Å; L47-V55 HydrophobicContact CB-CG1 4.18Å; L47-V55 WeakPolarHBondContact CB-O 3.2Å; L47-V55 HydrophobicContact CD1-CG1 4.1Å; L47-V55 PolarHBondContact N-O 3.49Å; L47-K57 HydrophobicContact CD1-CB 3.98Å; L47-K57 HydrophobicContact CD2-CB 4.07Å; L47-K57 HydrophobicContact CG-CB 4Å; L47-A68 HydrophobicContact CD1-CB 4.04Å; L47-L118 HydrophobicContact CD1-CD1 3.58Å; L47-K125 PolarHBondContact O-NZ 3.45Å
48	G	83.5	Confident	88	Confident	26 Å²	26	60.7 Å²	60.7	27%	0.268	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	162.9	178.3	0	0	0	0	0	112.8	H46 R54 V55	H46-G48 PolarHBondContact CE1-O 3.37Å; H46-G48 PolarHBondContact NE2-O 2.84Å; G48-R54 CarbonylContact O-C 3.57Å; G48-R54 WeakPolarHBondContact O-CA 3.21Å; G48-V55 PolarHBondContact N-O 3.06Å; G48-V55 PolarHBondContact O-N 2.88Å
49	S	80.4	Confident	88.2	Confident	93 Å²	93	61.6 Å²	61.6	65%	0.65	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.2	173.6	-62.8	0	0	0	0	108.8	H46	H46-S49 PolarHBondContact CE1-OG 2.74Å; H46-S49 PolarHBondContact NE2-OG 3.37Å
50	G	65.5	Low	88.3	Confident	45 Å²	45	53.7 Å²	53.7	46%	0.464	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	179.5	169.9	0	0	0	0	0	110.5	Y52 G53	G50-Y52 PolarHBondContact O-N 3.33Å; G50-G53 CarbonylContact C-O 3.55Å; G50-G53 PolarHBondContact N-O 2.99Å; G50-G53 PolarHBondContact O-N 3.23Å
51	Y	61.2	Low	88.3	Confident	134 Å²	134	55.3 Å²	55.3	53%	0.525	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.5	-179.5	-168.9	-91.2	0	0	0	112.8	I194	Y51-I194 HydrophobicContact CD1-CB 4.3Å; Y51-I194 HydrophobicContact CD1-CG2 4.24Å; Y51-I194 HydrophobicContact CE1-CB 3.75Å; Y51-I194 HydrophobicContact CE1-CD1 3.89Å; Y51-I194 HydrophobicContact CE1-CG1 4.43Å; Y51-I194 HydrophobicContact CE1-CG2 3.28Å; Y51-I194 HydrophobicContact CE2-CG2 4.41Å; Y51-I194 WeakPolarHBondContact OH-CG2 3.13Å
52	Y	63.5	Low	88.3	Confident	20 Å²	20	58.8 Å²	58.8	8%	0.078	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-7.9	-174.2	-77.3	-83.5	0	0	0	114.5	G50 S73 L190 E191 I194	G50-Y52 PolarHBondContact O-N 3.33Å; Y52-S73 PolarHBondContact O-N 2.93Å; Y52-L190 HydrophobicContact CD1-CD1 3.69Å; Y52-L190 HydrophobicContact CD1-CD2 3.79Å; Y52-L190 HydrophobicContact CD1-CG 3.54Å; Y52-L190 HydrophobicContact CD2-CD2 4.48Å; Y52-L190 HydrophobicContact CD2-CG 3.94Å; Y52-L190 HydrophobicContact CE1-CD1 3.2Å; Y52-L190 HydrophobicContact CE1-CD2 4.17Å; Y52-L190 HydrophobicContact CE1-CG 3.44Å; Y52-L190 VanDerWaalsContact CE1-CG 3.44Å; Y52-L190 HydrophobicContact CE2-CD1 4.38Å; Y52-L190 HydrophobicContact CE2-CG 3.89Å; Y52-L190 WeakPolarHBondContact CE2-O 3.32Å; Y52-L190 HydrophobicContact CG-CD1 4.41Å; Y52-L190 HydrophobicContact CG-CD2 3.93Å; Y52-L190 HydrophobicContact CG-CG 3.77Å; Y52-L190 PolarHBondContact OH-O 2.63Å; Y52-E191 HydrophobicContact CD2-CG 3.89Å; Y52-E191 VanDerWaalsContact CE2-CA 3.47Å; Y52-E191 HydrophobicContact CE2-CB 4.49Å; Y52-E191 HydrophobicContact CE2-CG 4.2Å; Y52-I194 HydrophobicContact CE1-CD1 3.97Å; Y52-I194 WeakPolarHBondContact OH-CB 3.41Å; Y52-I194 WeakPolarHBondContact OH-CD1 3.15Å; Y52-I194 WeakPolarHBondContact OH-CG1 3.42Å
53	G	77.7	Confident	88.2	Confident	27 Å²	27	53.4 Å²	53.4	28%	0.278	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	-174.8	-157.6	0	0	0	0	0	116.1	G50 H71	G50-G53 CarbonylContact C-O 3.55Å; G50-G53 PolarHBondContact N-O 2.99Å; G50-G53 PolarHBondContact O-N 3.23Å; G53-H71 WeakPolarHBondContact CA-O 3.38Å
54	R	88.5	Confident	88.1	Confident	94 Å²	94	52.3 Å²	52.3	36%	0.355	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.1	177.3	62.7	-173.9	-172.3	-77.2	-5.6	109.8	G48 E56 K70 H71	G48-R54 CarbonylContact O-C 3.57Å; G48-R54 WeakPolarHBondContact O-CA 3.21Å; R54-E56 VanDerWaalsContact CD-OE1 3.28Å; R54-E56 WeakPolarHBondContact CD-OE1 3.4Å; R54-E56 HydrophobicContact CG-CG 4.25Å; R54-E56 IonicContact NE-OE1 2.64Å; R54-E56 PolarHBondContact NE-OE1 2.97Å; R54-K70 WeakPolarHBondContact O-CA 3.41Å; R54-H71 HydrophobicContact CG-CB 4.03Å; R54-H71 PolarHBondContact N-O 3.32Å; R54-H71 PolarHBondContact O-N 2.94Å
55	V	91.7	Very high	88.1	Confident	35 Å²	35	51.2 Å²	51.2	21%	0.212	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.7	171.8	-169.8	0	0	0	0	107.9	L47 G48 A68 V69 K70 M116	L47-V55 HydrophobicContact CB-CB 4.28Å; L47-V55 HydrophobicContact CB-CG1 4.18Å; L47-V55 WeakPolarHBondContact CB-O 3.2Å; L47-V55 HydrophobicContact CD1-CG1 4.1Å; L47-V55 PolarHBondContact N-O 3.49Å; G48-V55 PolarHBondContact N-O 3.06Å; G48-V55 PolarHBondContact O-N 2.88Å; V55-A68 HydrophobicContact CG1-CB 4.2Å; V55-V69 CarbonylContact C-O 3.52Å; V55-V69 WeakPolarHBondContact CA-O 3.46Å; V55-K70 HydrophobicContact CG2-CB 4.17Å; V55-K70 HydrophobicContact CG2-CG 4.14Å; V55-M116 HydrophobicContact CG1-CE 4.49Å
56	E	95.3	Very high	88.2	Confident	9 Å²	9	51.6 Å²	51.6	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.7	-178.4	-60.6	-170.3	156.7	0	0	110.5	K43 A45 R54 M58 V69 H71	K43-E56 WeakPolarHBondContact CD-OE2 3.46Å; K43-E56 VanDerWaalsContact CE-OE1 3.29Å; K43-E56 WeakPolarHBondContact CE-OE1 3.28Å; K43-E56 IonicContact NZ-OE1 3.72Å; K43-E56 PolarHBondContact NZ-OE1 3.27Å; K43-E56 IonicContact NZ-OE2 2.76Å; A45-E56 CarbonylContact O-C 3.41Å; A45-E56 WeakPolarHBondContact O-CA 3.18Å; R54-E56 VanDerWaalsContact CD-OE1 3.28Å; R54-E56 WeakPolarHBondContact CD-OE1 3.4Å; R54-E56 HydrophobicContact CG-CG 4.25Å; R54-E56 IonicContact NE-OE1 2.64Å; R54-E56 PolarHBondContact NE-OE1 2.97Å; E56-M58 HydrophobicContact CB-CG 4.01Å; E56-M58 PolarHBondContact O-N 3.3Å; E56-V69 PolarHBondContact N-O 2.94Å; E56-V69 PolarHBondContact O-N 3.03Å; E56-H71 IonicContact OE2-NE2 2.65Å
57	K	95.9	Very high	88.4	Confident	30 Å²	30	47.3 Å²	47.3	13%	0.13	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	117.9	166.1	-176.7	171.1	179.7	167.4	0	106.2	I44 A45 L47 V66 F67 L118	I44-K57 WeakPolarHBondContact CA-O 3.36Å; I44-K57 HydrophobicContact CB-CB 4.49Å; I44-K57 HydrophobicContact CB-CG 4.26Å; I44-K57 WeakPolarHBondContact CB-O 3.39Å; I44-K57 HydrophobicContact CD1-CG 4.35Å; I44-K57 HydrophobicContact CG2-CD 4.46Å; I44-K57 PolarHBondContact N-O 3.42Å; A45-K57 HydrophobicContact CB-CB 4.16Å; A45-K57 PolarHBondContact N-O 3.22Å; A45-K57 PolarHBondContact O-N 2.68Å; L47-K57 HydrophobicContact CD1-CB 3.98Å; L47-K57 HydrophobicContact CD2-CB 4.07Å; L47-K57 HydrophobicContact CG-CB 4Å; K57-V66 HydrophobicContact CD-CG1 4.22Å; K57-V66 HydrophobicContact CG-CG1 3.57Å; K57-F67 WeakPolarHBondContact CA-O 3.41Å; K57-L118 HydrophobicContact CD-CD2 3.81Å; K57-L118 VanDerWaalsContact CE-CD2 3.49Å; K57-L118 HydrophobicContact CG-CD1 4.26Å; K57-L118 HydrophobicContact CG-CD2 3.9Å
58	M	97.9	Very high	88.7	Confident	13 Å²	13	45.4 Å²	45.4	6%	0.064	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143	-178.3	-54.6	-167.5	83.4	0	0	110.8	L41 R42 K43 E56 V66 F67 V69	L41-M58 HydrophobicContact CB-CE 4.01Å; L41-M58 HydrophobicContact CB-SD 4.19Å; L41-M58 HydrophobicContact CD2-CB 4.16Å; L41-M58 VanDerWaalsContact O-CE 3.27Å; L41-M58 WeakPolarHBondContact O-CE 3.36Å; R42-M58 CarbonylContact O-C 3.6Å; R42-M58 VanDerWaalsContact O-CA 3.23Å; R42-M58 WeakPolarHBondContact O-CA 3.42Å; K43-M58 HydrophobicContact CB-CE 4.13Å; E56-M58 HydrophobicContact CB-CG 4.01Å; E56-M58 PolarHBondContact O-N 3.3Å; M58-V66 CarbonylContact O-C 3.55Å; M58-V66 WeakPolarHBondContact O-CA 3.36Å; M58-V66 WeakPolarHBondContact O-CG1 3.18Å; M58-F67 PolarHBondContact N-O 3.41Å; M58-F67 PolarHBondContact O-N 3.44Å; M58-V69 HydrophobicContact CB-CG2 3.83Å; M58-V69 HydrophobicContact CG-CB 3.97Å; M58-V69 HydrophobicContact CG-CG2 3.77Å; M58-V69 HydrophobicContact SD-CB 3.6Å; M58-V69 HydrophobicContact SD-CG1 3.88Å; M58-V69 HydrophobicContact SD-CG2 3.65Å
59	I	97.5	Very high	89.2	Confident	30 Å²	30	44.2 Å²	44.2	15%	0.154	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.3	173.7	-173.8	165.4	0	0	0	109.7	R42 I44 T61 H65 V66	R42-I59 HydrophobicContact CB-CG2 4.06Å; R42-I59 PolarHBondContact N-O 3.24Å; R42-I59 PolarHBondContact O-N 3.17Å; I44-I59 HydrophobicContact CD1-CB 3.63Å; I44-I59 HydrophobicContact CD1-CG2 3.92Å; I44-I59 HydrophobicContact CG1-CB 4.24Å; I44-I59 HydrophobicContact CG1-CG2 3.98Å; I59-T61 PolarHBondContact O-N 3.34Å; I59-H65 WeakPolarHBondContact CA-O 3.45Å; I59-V66 HydrophobicContact CB-CG2 4.43Å; I59-V66 HydrophobicContact CD1-CG2 4.48Å; I59-V66 HydrophobicContact CG1-CG2 4.33Å
60	H	97.1	Very high	89.7	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	108.4	167.5	-179.6	-127.6	0	0	0	108.6	I36 D40 L41 P62 T63 S64 H65 F67	I36-H60 HydrophobicContact CD1-CB 4.43Å; D40-H60 WeakPolarHBondContact O-CA 3.49Å; L41-H60 HydrophobicContact CD2-CB 4.35Å; H60-P62 VanDerWaalsContact C-CD 3.45Å; H60-P62 VanDerWaalsContact CD2-CD 3.5Å; H60-P62 WeakPolarHBondContact CD2-CD 3.37Å; H60-P62 WeakPolarHBondContact NE2-CD 3.35Å; H60-T63 PolarHBondContact ND1-OG1 3.03Å; H60-T63 PolarHBondContact O-N 3.23Å; H60-S64 VanDerWaalsContact O-CA 3.28Å; H60-S64 WeakPolarHBondContact O-CA 3.36Å; H60-S64 PolarHBondContact O-N 3.43Å; H60-H65 PolarHBondContact N-O 3.27Å; H60-F67 HydrophobicContact CB-CD2 4.32Å; H60-F67 HydrophobicContact CB-CE2 3.85Å
61	T	97.3	Very high	90.8	Very high	70 Å²	70	38.9 Å²	38.9	43%	0.429	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-35.6	-169.2	57.5	0	0	0	0	115.2	D40 R42 I59	D40-T61 PolarHBondContact O-N 2.86Å; D40-T61 PolarHBondContact O-OG1 3.34Å; R42-T61 HydrophobicContact CB-CG2 4.05Å; I59-T61 PolarHBondContact O-N 3.34Å
62	P	96.4	Very high	91.8	Very high	85 Å²	85	32.6 Å²	32.6	55%	0.552	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-38.7	179.7	-21.4	35.5	0	0	0	113.5	D40 H60	D40-P62 HydrophobicContact CB-CG 4.16Å; H60-P62 VanDerWaalsContact C-CD 3.45Å; H60-P62 VanDerWaalsContact CD2-CD 3.5Å; H60-P62 WeakPolarHBondContact CD2-CD 3.37Å; H60-P62 WeakPolarHBondContact NE2-CD 3.35Å
63	T	94.9	Very high	92.5	Very high	42 Å²	42	33.2 Å²	33.2	26%	0.258	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-10.8	-175.7	66.5	0	0	0	0	113.5	I34 H60 H65	I34-T63 HydrophobicContact CD1-CG2 4.35Å; I34-T63 HydrophobicContact CG2-CG2 4.09Å; H60-T63 PolarHBondContact ND1-OG1 3.03Å; H60-T63 PolarHBondContact O-N 3.23Å; T63-H65 VanDerWaalsContact CB-CD2 3.44Å; T63-H65 WeakPolarHBondContact CB-CD2 3.33Å; T63-H65 PolarHBondContact O-N 3.49Å; T63-H65 VanDerWaalsContact O-N 3.15Å; T63-H65 PolarHBondContact OG1-CD2 3.42Å; T63-H65 PolarHBondContact OG1-N 2.92Å
64	S	95.1	Very high	92.1	Very high	80 Å²	80	32.1 Å²	32.1	56%	0.559	18%	0.181	S	C	*	.			trans	60.5	10.4	-171.1	-56.4	0	0	0	0	115.6	H60	H60-S64 VanDerWaalsContact O-CA 3.28Å; H60-S64 WeakPolarHBondContact O-CA 3.36Å; H60-S64 PolarHBondContact O-N 3.43Å
65	H	95.4	Very high	90.9	Very high	61 Å²	61	34.9 Å²	34.9	28%	0.282	20%	0.197	S	C	.	.			trans	-69.4	143.7	174.7	-69.7	-52.7	0	0	0	110.8	L29 E32 I59 H60 T63 F67	L29-H65 HydrophobicContact CD2-CB 4.13Å; L29-H65 WeakPolarHBondContact CD2-CD2 3.47Å; E32-H65 IonicContact OE2-CD2 2.64Å; E32-H65 IonicContact OE2-CE1 3.03Å; E32-H65 IonicContact OE2-NE2 3.49Å; E32-H65 PolarHBondContact OE2-NE2 3.12Å; I59-H65 WeakPolarHBondContact CA-O 3.45Å; H60-H65 PolarHBondContact N-O 3.27Å; T63-H65 VanDerWaalsContact CB-CD2 3.44Å; T63-H65 WeakPolarHBondContact CB-CD2 3.33Å; T63-H65 PolarHBondContact O-N 3.49Å; T63-H65 VanDerWaalsContact O-N 3.15Å; T63-H65 PolarHBondContact OG1-CD2 3.42Å; T63-H65 PolarHBondContact OG1-N 2.92Å; H65-F67 HydrophobicContact CB-CE2 3.65Å; H65-F67 HydrophobicContact CB-CZ 3.58Å
66	V	96	Very high	89.2	Confident	46 Å²	46	39.9 Å²	39.9	28%	0.279	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.1	-178.7	-165.8	0	0	0	0	110.7	I44 K57 M58 I59 L118	I44-V66 HydrophobicContact CD1-CG1 3.89Å; I44-V66 HydrophobicContact CD1-CG2 4.34Å; K57-V66 HydrophobicContact CD-CG1 4.22Å; K57-V66 HydrophobicContact CG-CG1 3.57Å; M58-V66 CarbonylContact O-C 3.55Å; M58-V66 WeakPolarHBondContact O-CA 3.36Å; M58-V66 WeakPolarHBondContact O-CG1 3.18Å; I59-V66 HydrophobicContact CB-CG2 4.43Å; I59-V66 HydrophobicContact CD1-CG2 4.48Å; I59-V66 HydrophobicContact CG1-CG2 4.33Å; V66-L118 HydrophobicContact CB-CD2 4.41Å; V66-L118 HydrophobicContact CG1-CD2 3.85Å
67	F	96.5	Very high	87.4	Confident	3 Å²	3	40.6 Å²	40.6	1%	0.013	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	157.5	-175.3	-58.6	-73.1	0	0	0	111.4	M27 L29 I36 L41 K57 M58 H60 H65 V69 Y103 V115	M27-F67 HydrophobicContact CE-CE1 3.96Å; M27-F67 HydrophobicContact CE-CE2 3.89Å; M27-F67 HydrophobicContact CE-CZ 3.36Å; L29-F67 HydrophobicContact CD1-CE1 4.25Å; L29-F67 HydrophobicContact CD2-CE1 4.32Å; L29-F67 HydrophobicContact CD2-CZ 4.08Å; I36-F67 HydrophobicContact CD1-CD2 4.4Å; I36-F67 HydrophobicContact CD1-CE2 4.24Å; L41-F67 HydrophobicContact CD2-CD2 4.28Å; K57-F67 WeakPolarHBondContact CA-O 3.41Å; M58-F67 PolarHBondContact N-O 3.41Å; M58-F67 PolarHBondContact O-N 3.44Å; H60-F67 HydrophobicContact CB-CD2 4.32Å; H60-F67 HydrophobicContact CB-CE2 3.85Å; H65-F67 HydrophobicContact CB-CE2 3.65Å; H65-F67 HydrophobicContact CB-CZ 3.58Å; F67-V69 HydrophobicContact CB-CG2 4.32Å; F67-Y103 AromaticContact CD1-CD2 3.81Å; F67-Y103 HydrophobicContact CD1-CD2 3.81Å; F67-Y103 AromaticContact CD1-CE2 3.7Å; F67-Y103 HydrophobicContact CD1-CE2 3.7Å; F67-Y103 AromaticContact CE1-CD2 3.87Å; F67-Y103 HydrophobicContact CE1-CD2 3.87Å; F67-Y103 AromaticContact CE1-CE2 3.7Å; F67-Y103 HydrophobicContact CE1-CE2 3.7Å; F67-V115 HydrophobicContact CB-CG1 3.77Å; F67-V115 HydrophobicContact CD1-CG1 3.87Å; F67-V115 HydrophobicContact CD2-CG1 4.12Å; F67-V115 HydrophobicContact CG-CG1 3.63Å
68	A	95.6	Very high	85.5	Confident	9 Å²	9	46.8 Å²	46.8	7%	0.074	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.6	157.8	0	0	0	0	0	108.3	L47 V55 M116 L118	L47-A68 HydrophobicContact CD1-CB 4.04Å; V55-A68 HydrophobicContact CG1-CB 4.2Å; A68-M116 HydrophobicContact CB-CB 4.5Å; A68-M116 HydrophobicContact CB-CE 4.35Å; A68-M116 PolarHBondContact N-O 3.35Å; A68-M116 VanDerWaalsContact N-O 3.07Å; A68-M116 PolarHBondContact O-N 3.11Å; A68-L118 HydrophobicContact CB-CD1 4.02Å
69	V	94.7	Very high	83.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.8	179.4	-177.1	0	0	0	0	109.3	L41 V55 E56 M58 F67 L113 I114	L41-V69 HydrophobicContact CD1-CG2 4.23Å; L41-V69 HydrophobicContact CD2-CG2 4.32Å; V55-V69 CarbonylContact C-O 3.52Å; V55-V69 WeakPolarHBondContact CA-O 3.46Å; E56-V69 PolarHBondContact N-O 2.94Å; E56-V69 PolarHBondContact O-N 3.03Å; M58-V69 HydrophobicContact CB-CG2 3.83Å; M58-V69 HydrophobicContact CG-CB 3.97Å; M58-V69 HydrophobicContact CG-CG2 3.77Å; M58-V69 HydrophobicContact SD-CB 3.6Å; M58-V69 HydrophobicContact SD-CG1 3.88Å; M58-V69 HydrophobicContact SD-CG2 3.65Å; F67-V69 HydrophobicContact CB-CG2 4.32Å; V69-L113 HydrophobicContact CG1-CB 3.89Å; V69-L113 HydrophobicContact CG1-CD2 4.15Å; V69-L113 HydrophobicContact CG1-CG 3.99Å; V69-I114 WeakPolarHBondContact CA-O 3.4Å
70	K	90.1	Very high	82	Confident	15 Å²	15	51.9 Å²	51.9	7%	0.065	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115.1	175.6	-178.1	172.9	-173.6	175.7	0	109.2	R54 V55 I72 L113 I114 M116 D183	R54-K70 WeakPolarHBondContact O-CA 3.41Å; V55-K70 HydrophobicContact CG2-CB 4.17Å; V55-K70 HydrophobicContact CG2-CG 4.14Å; K70-I72 HydrophobicContact CG-CG1 4.25Å; K70-L113 WeakPolarHBondContact O-CA 3.43Å; K70-I114 HydrophobicContact CB-CB 4.27Å; K70-I114 PolarHBondContact N-O 2.92Å; K70-I114 PolarHBondContact O-N 2.87Å; K70-M116 HydrophobicContact CB-CE 3.68Å; K70-D183 VanDerWaalsContact NZ-CG 3.26Å; K70-D183 IonicContact NZ-OD1 3.86Å; K70-D183 PolarHBondContact NZ-OD1 3.37Å; K70-D183 IonicContact NZ-OD2 3.62Å; K70-D183 PolarHBondContact NZ-OD2 3.37Å
71	H	89.1	Confident	80.6	Confident	12 Å²	12	54.6 Å²	54.6	6%	0.056	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	121.9	176.6	-64.4	-101.6	0	0	0	109.6	G53 R54 E56 V112	G53-H71 WeakPolarHBondContact CA-O 3.38Å; R54-H71 HydrophobicContact CG-CB 4.03Å; R54-H71 PolarHBondContact N-O 3.32Å; R54-H71 PolarHBondContact O-N 2.94Å; E56-H71 IonicContact OE2-NE2 2.65Å; H71-V112 CarbonylContact C-O 3.55Å; H71-V112 WeakPolarHBondContact CA-O 3.44Å
72	I	82.2	Confident	79.3	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	118	176.8	-57.1	174.5	0	0	0	108.2	K70 V74 I84 D111 V112 I114	K70-I72 HydrophobicContact CG-CG1 4.25Å; I72-V74 PolarHBondContact O-N 3.21Å; I72-I84 HydrophobicContact CG2-CD1 3.8Å; I72-I84 HydrophobicContact CG2-CG1 4.37Å; I72-D111 WeakPolarHBondContact O-CA 3.36Å; I72-V112 HydrophobicContact CB-CB 4.4Å; I72-V112 PolarHBondContact N-O 3.42Å; I72-V112 PolarHBondContact O-N 3.44Å; I72-I114 HydrophobicContact CD1-CD1 3.67Å; I72-I114 HydrophobicContact CD1-CG1 4.33Å
73	S	77.7	Confident	78	Confident	33 Å²	33	54 Å²	54	23%	0.231	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	114.5	-178.9	-164.7	0	0	0	0	111.8	Y52 H75 L76 D111	Y52-S73 PolarHBondContact O-N 2.93Å; S73-H75 VanDerWaalsContact C-N 3.34Å; S73-H75 PolarHBondContact O-N 3.43Å; S73-L76 PolarHBondContact O-N 3.34Å; S73-D111 VanDerWaalsContact CA-OD1 3.23Å; S73-D111 WeakPolarHBondContact CA-OD1 3.44Å; S73-D111 WeakPolarHBondContact CB-OD1 3.43Å; S73-D111 PolarHBondContact OG-OD1 3.41Å; S73-D111 VanDerWaalsContact OG-OD1 3.1Å
74	V	68.3	Low	77	Confident	3 Å²	3	52 Å²	52	2%	0.018	27%	0.27	C	S	.	.	S	Bend	trans	-71.4	-32.7	-176.4	-177.5	0	0	0	0	111.4	P18 I72 L76 N77 R81 F107 G110 V112	P18-V74 HydrophobicContact CB-CG1 4.22Å; P18-V74 HydrophobicContact CG-CG1 4.45Å; I72-V74 PolarHBondContact O-N 3.21Å; V74-L76 PolarHBondContact O-N 3.33Å; V74-N77 CarbonylContact O-C 3.57Å; V74-N77 PolarHBondContact O-N 3.23Å; V74-R81 HydrophobicContact CG1-CG 4.04Å; V74-R81 VanDerWaalsContact CG1-NE 3.3Å; V74-F107 HydrophobicContact CB-CE2 4.44Å; V74-F107 HydrophobicContact CG2-CD2 4.37Å; V74-F107 HydrophobicContact CG2-CE2 3.87Å; V74-G110 VanDerWaalsContact CB-O 3.31Å; V74-G110 WeakPolarHBondContact CB-O 3.25Å; V74-G110 WeakPolarHBondContact CG2-O 3.41Å; V74-G110 PolarHBondContact N-O 3.07Å; V74-V112 HydrophobicContact CG2-CB 4.41Å; V74-V112 HydrophobicContact CG2-CG2 3.5Å
75	H	63.5	Low	76	Confident	153 Å²	153	50.8 Å²	50.8	71%	0.708	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-30.3	-179.6	-72.8	-67.2	0	0	0	112.8	S73 N77	S73-H75 VanDerWaalsContact C-N 3.34Å; S73-H75 PolarHBondContact O-N 3.43Å; H75-N77 VanDerWaalsContact C-N 3.26Å; H75-N77 PolarHBondContact O-N 3.31Å
76	L	57.8	Low	75	Confident	139 Å²	139	55 Å²	55	73%	0.728	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-16.6	177.9	-65.1	177.9	0	0	0	112.7	S73 V74	S73-L76 PolarHBondContact O-N 3.34Å; V74-L76 PolarHBondContact O-N 3.33Å
77	N	57.1	Low	73.9	Confident	24 Å²	24	53.6 Å²	53.6	13%	0.128	27%	0.265	C	S	.	.			trans	-158.2	74.8	-174.9	-148	-22.9	0	0	0	114.9	V74 H75 L79 S80 I194	V74-N77 CarbonylContact O-C 3.57Å; V74-N77 PolarHBondContact O-N 3.23Å; H75-N77 VanDerWaalsContact C-N 3.26Å; H75-N77 PolarHBondContact O-N 3.31Å; N77-L79 PolarHBondContact O-N 3.28Å; N77-S80 PolarHBondContact ND2-OG 2.98Å; N77-S80 WeakPolarHBondContact O-CB 3.36Å; N77-S80 PolarHBondContact O-N 2.75Å; N77-S80 PolarHBondContact OD1-OG 3.23Å; N77-I194 WeakPolarHBondContact ND2-CD1 3.31Å
78	Y	54.8	Low	73	Confident	161 Å²	161	54 Å²	54	63%	0.631	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-54.4	-34.9	174.6	179.9	-87.4	0	0	0	112.7	S80 R81	Y78-S80 PolarHBondContact O-N 3.22Å; Y78-R81 VanDerWaalsContact CE2-CZ 3.48Å; Y78-R81 WeakPolarHBondContact O-CB 3.47Å; Y78-R81 WeakPolarHBondContact O-CG 3.39Å; Y78-R81 PolarHBondContact O-N 2.83Å
79	L	57.1	Low	72.3	Confident	145 Å²	145	56 Å²	56	76%	0.759	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-66.1	-22.4	180	-62	177.4	0	0	0	112.7	N77 R81 P82	N77-L79 PolarHBondContact O-N 3.28Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.02Å; L79-P82 WeakPolarHBondContact O-CD 3.35Å
80	S	65.3	Low	71.5	Confident	5 Å²	5	57.3 Å²	57.3	4%	0.035	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-84.1	-3.3	179.3	-62.1	0	0	0	0	114.2	N77 Y78 L83 I84 L190	N77-S80 PolarHBondContact ND2-OG 2.98Å; N77-S80 WeakPolarHBondContact O-CB 3.36Å; N77-S80 PolarHBondContact O-N 2.75Å; N77-S80 PolarHBondContact OD1-OG 3.23Å; Y78-S80 PolarHBondContact O-N 3.22Å; S80-L83 CarbonylContact O-C 3.6Å; S80-L83 WeakPolarHBondContact O-CA 3.27Å; S80-L83 VanDerWaalsContact O-CB 3.31Å; S80-L83 WeakPolarHBondContact O-CB 3.36Å; S80-L83 PolarHBondContact O-N 2.78Å; S80-I84 WeakPolarHBondContact O-CG1 3.42Å; S80-I84 PolarHBondContact O-N 3.43Å; S80-L190 WeakPolarHBondContact OG-CD1 3.5Å
81	R	68.7	Low	71.1	Confident	58 Å²	58	56.8 Å²	56.8	22%	0.219	29%	0.29	C	S	.	.	H	α-helix	trans	-54	-54.2	179.3	-76.9	176.3	-177.4	-162.4	1.6	112	L19 V74 Y78 L79 L83 I84 S85	L19-R81 HydrophobicContact CD2-CB 3.6Å; L19-R81 HydrophobicContact CD2-CG 4.14Å; L19-R81 WeakPolarHBondContact CD2-O 3.46Å; V74-R81 HydrophobicContact CG1-CG 4.04Å; V74-R81 VanDerWaalsContact CG1-NE 3.3Å; Y78-R81 VanDerWaalsContact CE2-CZ 3.48Å; Y78-R81 WeakPolarHBondContact O-CB 3.47Å; Y78-R81 WeakPolarHBondContact O-CG 3.39Å; Y78-R81 PolarHBondContact O-N 2.83Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.02Å; R81-L83 PolarHBondContact O-N 2.66Å; R81-L83 VanDerWaalsContact O-N 3.14Å; R81-I84 PolarHBondContact O-N 3.39Å; R81-I84 VanDerWaalsContact O-N 3.11Å; R81-S85 PolarHBondContact O-N 3.34Å
82	P	68.4	Low	70.9	Confident	95 Å²	95	59.3 Å²	59.3	62%	0.617	31%	0.307	S	S	*	.	H	α-helix	trans	-56.3	-34.1	176.8	-24.8	35.3	0	0	0	113.5	L79 R86	L79-P82 WeakPolarHBondContact O-CD 3.35Å; P82-R86 WeakPolarHBondContact O-CB 3.45Å; P82-R86 PolarHBondContact O-N 3.34Å; P82-R86 VanDerWaalsContact O-N 3.09Å
83	L	69.1	Low	70.9	Confident	47 Å²	47	69.3 Å²	69.3	25%	0.246	34%	0.344	C	S	.	.	H	α-helix	trans	-66.1	-50.9	176	-62.8	-179.8	0	0	0	110.8	S80 R81 S85 R86 E87 I186	S80-L83 CarbonylContact O-C 3.6Å; S80-L83 WeakPolarHBondContact O-CA 3.27Å; S80-L83 VanDerWaalsContact O-CB 3.31Å; S80-L83 WeakPolarHBondContact O-CB 3.36Å; S80-L83 PolarHBondContact O-N 2.78Å; R81-L83 PolarHBondContact O-N 2.66Å; R81-L83 VanDerWaalsContact O-N 3.14Å; L83-S85 VanDerWaalsContact C-N 3.34Å; L83-S85 PolarHBondContact O-N 3.32Å; L83-R86 CarbonylContact O-C 3.52Å; L83-R86 PolarHBondContact O-N 2.82Å; L83-R86 VanDerWaalsContact O-N 3.12Å; L83-E87 WeakPolarHBondContact O-CB 3.49Å; L83-E87 PolarHBondContact O-N 2.75Å; L83-I186 VanDerWaalsContact C-CG2 3.46Å; L83-I186 VanDerWaalsContact CA-CG2 3.5Å; L83-I186 HydrophobicContact CB-CG2 3.43Å; L83-I186 VanDerWaalsContact CB-CG2 3.43Å; L83-I186 HydrophobicContact CD2-CG2 3.89Å; L83-I186 HydrophobicContact CG-CG2 4.18Å; L83-I186 WeakPolarHBondContact O-CG2 3.34Å
84	I	74.5	Confident	71.3	Confident	2 Å²	2	68 Å²	68	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-41.8	179	-60.4	162.7	0	0	0	111.5	L19 I72 S80 R81 R86 E87 L88 V112 L190	L19-I84 HydrophobicContact CD1-CB 3.83Å; L19-I84 HydrophobicContact CD1-CG2 3.55Å; I72-I84 HydrophobicContact CG2-CD1 3.8Å; I72-I84 HydrophobicContact CG2-CG1 4.37Å; S80-I84 WeakPolarHBondContact O-CG1 3.42Å; S80-I84 PolarHBondContact O-N 3.43Å; R81-I84 PolarHBondContact O-N 3.39Å; R81-I84 VanDerWaalsContact O-N 3.11Å; I84-R86 VanDerWaalsContact C-N 3.32Å; I84-R86 PolarHBondContact O-N 2.92Å; I84-E87 PolarHBondContact O-N 3.48Å; I84-L88 HydrophobicContact CG2-CD1 4.22Å; I84-L88 PolarHBondContact O-N 3.26Å; I84-V112 HydrophobicContact CG2-CB 4.29Å; I84-V112 HydrophobicContact CG2-CG1 3.81Å; I84-V112 HydrophobicContact CG2-CG2 4.21Å; I84-L190 HydrophobicContact CG1-CD2 4.41Å
85	S	74.6	Confident	72.3	Confident	53 Å²	53	74.4 Å²	74.4	37%	0.371	37%	0.369	S	S	.	.	H	α-helix	trans	-61.6	-41.9	176.4	175.7	0	0	0	0	111.4	R81 L83 A89	R81-S85 PolarHBondContact O-N 3.34Å; L83-S85 VanDerWaalsContact C-N 3.34Å; L83-S85 PolarHBondContact O-N 3.32Å; S85-A89 WeakPolarHBondContact O-CB 3.31Å; S85-A89 PolarHBondContact O-N 3.05Å
86	R	73.1	Confident	73.8	Confident	150 Å²	150	69.2 Å²	69.2	57%	0.566	35%	0.345	S	S	*	.	H	α-helix	trans	-70.5	-37.5	178.2	-168.2	-167.4	171.8	178.5	-0.2	111.6	P82 L83 I84 A89 V90 I186	P82-R86 WeakPolarHBondContact O-CB 3.45Å; P82-R86 PolarHBondContact O-N 3.34Å; P82-R86 VanDerWaalsContact O-N 3.09Å; L83-R86 CarbonylContact O-C 3.52Å; L83-R86 PolarHBondContact O-N 2.82Å; L83-R86 VanDerWaalsContact O-N 3.12Å; I84-R86 VanDerWaalsContact C-N 3.32Å; I84-R86 PolarHBondContact O-N 2.92Å; R86-A89 PolarHBondContact O-N 3.47Å; R86-V90 WeakPolarHBondContact O-CG2 3.43Å; R86-V90 PolarHBondContact O-N 3.32Å; R86-I186 VanDerWaalsContact C-CD1 3.41Å; R86-I186 HydrophobicContact CB-CD1 3.62Å; R86-I186 VanDerWaalsContact CD-CD1 3.46Å; R86-I186 HydrophobicContact CG-CD1 3.35Å; R86-I186 HydrophobicContact CG-CG1 4.45Å
87	E	73	Confident	75.6	Confident	17 Å²	17	67 Å²	67	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-58	-51.8	174	178.3	177.8	176.9	0	0	110.3	L83 I84 A89 V90 G91 I114 I186 S187	L83-E87 WeakPolarHBondContact O-CB 3.49Å; L83-E87 PolarHBondContact O-N 2.75Å; I84-E87 PolarHBondContact O-N 3.48Å; E87-A89 VanDerWaalsContact C-N 3.32Å; E87-A89 PolarHBondContact O-N 3.43Å; E87-V90 PolarHBondContact O-N 2.93Å; E87-G91 PolarHBondContact O-N 3.02Å; E87-I114 HydrophobicContact CG-CD1 4.49Å; E87-I186 HydrophobicContact CB-CB 4.09Å; E87-I186 HydrophobicContact CB-CD1 4.42Å; E87-I186 HydrophobicContact CB-CG2 4.16Å; E87-S187 PolarHBondContact OE1-OG 2.82Å
88	L	79.3	Confident	77.5	Confident	12 Å²	12	65.9 Å²	65.9	6%	0.063	32%	0.321	C	S	.	.	H	α-helix	trans	-61	-40.6	176.2	-78.7	168.9	0	0	0	112.3	L21 I84 T92 V112 I114	L21-L88 HydrophobicContact CD1-CD1 3.56Å; L21-L88 HydrophobicContact CD2-CD1 3.86Å; L21-L88 HydrophobicContact CG-CD1 4.26Å; I84-L88 HydrophobicContact CG2-CD1 4.22Å; I84-L88 PolarHBondContact O-N 3.26Å; L88-T92 WeakPolarHBondContact O-CB 3.36Å; L88-T92 VanDerWaalsContact O-CG2 3.28Å; L88-T92 WeakPolarHBondContact O-CG2 3.45Å; L88-T92 PolarHBondContact O-N 3.49Å; L88-T92 PolarHBondContact O-OG1 2.99Å; L88-V112 HydrophobicContact CD1-CG1 4.19Å; L88-I114 HydrophobicContact CD2-CB 4.37Å; L88-I114 HydrophobicContact CD2-CD1 4.22Å; L88-I114 HydrophobicContact CD2-CG1 3.93Å; L88-I114 HydrophobicContact CD2-CG2 3.91Å; L88-I114 HydrophobicContact CG-CD1 4.4Å; L88-I114 HydrophobicContact CG-CG1 4.45Å
89	A	79.5	Confident	79.4	Confident	50 Å²	50	58.3 Å²	58.3	41%	0.413	29%	0.292	S	S	.	.	H	α-helix	trans	-64.5	-40.1	178.6	0	0	0	0	0	112.5	S85 R86 E87 R93	S85-A89 WeakPolarHBondContact O-CB 3.31Å; S85-A89 PolarHBondContact O-N 3.05Å; R86-A89 PolarHBondContact O-N 3.47Å; E87-A89 VanDerWaalsContact C-N 3.32Å; E87-A89 PolarHBondContact O-N 3.43Å; A89-R93 VanDerWaalsContact O-CD 3.25Å; A89-R93 WeakPolarHBondContact O-CD 3.26Å; A89-R93 VanDerWaalsContact O-CG 3.24Å; A89-R93 WeakPolarHBondContact O-CG 3.4Å
90	V	77.9	Confident	81.2	Confident	28 Å²	28	51.8 Å²	51.8	17%	0.17	26%	0.258	C	S	.	.	H	α-helix	trans	-73	-51.2	176.3	176.9	0	0	0	0	109.8	R86 E87 T92 R93 C94 V161 F184 I186	R86-V90 WeakPolarHBondContact O-CG2 3.43Å; R86-V90 PolarHBondContact O-N 3.32Å; E87-V90 PolarHBondContact O-N 2.93Å; V90-T92 PolarHBondContact O-N 3.4Å; V90-R93 WeakPolarHBondContact O-CB 3.44Å; V90-R93 PolarHBondContact O-N 2.88Å; V90-C94 PolarHBondContact O-N 3.27Å; V90-C94 VanDerWaalsContact O-N 3.1Å; V90-C94 PolarHBondContact O-SG 3.16Å; V90-V161 HydrophobicContact CG1-CG2 3.8Å; V90-V161 HydrophobicContact CG2-CG2 4.43Å; V90-F184 HydrophobicContact CB-CE2 4.41Å; V90-F184 HydrophobicContact CG1-CD2 4.26Å; V90-F184 HydrophobicContact CG1-CE2 3.69Å; V90-I186 HydrophobicContact CG2-CD1 4.37Å
91	G	82.5	Confident	82.5	Confident	3 Å²	3	53.1 Å²	53.1	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-40.8	-174	0	0	0	0	0	113.7	E87 R93 C94	E87-G91 PolarHBondContact O-N 3.02Å; G91-R93 PolarHBondContact O-N 3.39Å; G91-C94 PolarHBondContact O-N 3.46Å
92	T	83.8	Confident	83.6	Confident	66 Å²	66	50.9 Å²	50.9	41%	0.405	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.3	177.6	56.8	0	0	0	0	113.9	L88 V90 C102	L88-T92 WeakPolarHBondContact O-CB 3.36Å; L88-T92 VanDerWaalsContact O-CG2 3.28Å; L88-T92 WeakPolarHBondContact O-CG2 3.45Å; L88-T92 PolarHBondContact O-N 3.49Å; L88-T92 PolarHBondContact O-OG1 2.99Å; V90-T92 PolarHBondContact O-N 3.4Å; T92-C102 WeakPolarHBondContact CA-O 3.37Å
93	R	82.4	Confident	84.7	Confident	212 Å²	212	48.8 Å²	48.8	80%	0.8	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-18.2	175.3	-71.8	176.6	139.7	-160.3	-5.5	113.2	A89 V90 G91 N95	A89-R93 VanDerWaalsContact O-CD 3.25Å; A89-R93 WeakPolarHBondContact O-CD 3.26Å; A89-R93 VanDerWaalsContact O-CG 3.24Å; A89-R93 WeakPolarHBondContact O-CG 3.4Å; V90-R93 WeakPolarHBondContact O-CB 3.44Å; V90-R93 PolarHBondContact O-N 2.88Å; G91-R93 PolarHBondContact O-N 3.39Å; R93-N95 PolarHBondContact O-N 2.94Å
94	C	87.2	Confident	85.7	Confident	6 Å²	6	46.9 Å²	46.9	4%	0.041	23%	0.23	C	C	.	.			trans	-70.2	125.3	177.9	-70	0	0	0	0	110.4	V90 G91 V99 Y155	V90-C94 PolarHBondContact O-N 3.27Å; V90-C94 VanDerWaalsContact O-N 3.1Å; V90-C94 PolarHBondContact O-SG 3.16Å; G91-C94 PolarHBondContact O-N 3.46Å; C94-V99 HydrophobicContact CB-CG1 4.11Å; C94-Y155 HydrophobicContact CB-CE1 4.07Å
95	N	89	Confident	86.4	Confident	136 Å²	136	47.2 Å²	47.2	73%	0.727	23%	0.234	S	C	*	.			trans	-137.8	90	172.9	-177	13.6	0	0	0	108.5	R93 Y155	R93-N95 PolarHBondContact O-N 2.94Å; N95-Y155 PolarHBondContact N-OH 3.04Å
96	H	94.9	Very high	87.3	Confident	45 Å²	45	44.7 Å²	44.7	21%	0.208	22%	0.216	C	C	.	.			trans	-145	144.3	-179.3	-173.2	-96.8	0	0	0	110.5	S98 V99 Y155	H96-S98 PolarHBondContact ND1-N 3.44Å; H96-S98 VanDerWaalsContact ND1-N 3.14Å; H96-S98 PolarHBondContact O-N 3.28Å; H96-V99 HydrophobicContact CB-CB 4.24Å; H96-V99 HydrophobicContact CB-CG2 4.14Å; H96-V99 PolarHBondContact O-N 3.41Å; H96-V99 VanDerWaalsContact O-N 3.17Å; H96-Y155 HydrophobicContact CB-CD1 3.59Å; H96-Y155 HydrophobicContact CB-CD2 4.07Å; H96-Y155 HydrophobicContact CB-CE1 3.69Å; H96-Y155 HydrophobicContact CB-CE2 4.17Å; H96-Y155 HydrophobicContact CB-CG 3.76Å; H96-Y155 AromaticContact CD2-CD2 3.92Å; H96-Y155 AromaticContact CD2-CG 3.94Å; H96-Y155 AromaticContact CG-CG 3.77Å
97	R	95.6	Very high	88	Confident	91 Å²	91	38.7 Å²	38.7	34%	0.343	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.5	-175.6	66.8	175.8	-65	-79	-6.5	114.1	Y144 E151 K180	R97-Y144 PolarHBondContact NH2-OH 2.88Å; R97-E151 IonicContact NH1-OE2 2.95Å; R97-E151 PolarHBondContact NH1-OE2 2.95Å; R97-K180 WeakPolarHBondContact O-CE 3.41Å
98	S	97.3	Very high	88.7	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.007	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	11	-176.2	-43.9	0	0	0	0	113.4	H96 S148 E151 A152 K180 V181	H96-S98 PolarHBondContact ND1-N 3.44Å; H96-S98 VanDerWaalsContact ND1-N 3.14Å; H96-S98 PolarHBondContact O-N 3.28Å; S98-S148 WeakPolarHBondContact CB-O 3.41Å; S98-S148 PolarHBondContact OG-O 3.1Å; S98-E151 PolarHBondContact OG-OE2 2.69Å; S98-A152 WeakPolarHBondContact O-CB 3.39Å; S98-K180 CarbonylContact O-C 3.59Å; S98-K180 VanDerWaalsContact O-CA 3.27Å; S98-K180 WeakPolarHBondContact O-CA 3.29Å; S98-V181 PolarHBondContact O-N 2.97Å
99	V	95.5	Very high	88.8	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.012	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-118.2	136.2	173.8	176.9	0	0	0	0	108.8	C94 H96 T101 A152 Y155 F184	C94-V99 HydrophobicContact CB-CG1 4.11Å; H96-V99 HydrophobicContact CB-CB 4.24Å; H96-V99 HydrophobicContact CB-CG2 4.14Å; H96-V99 PolarHBondContact O-N 3.41Å; H96-V99 VanDerWaalsContact O-N 3.17Å; V99-T101 PolarHBondContact O-N 3.19Å; V99-A152 HydrophobicContact CG2-CB 3.87Å; V99-Y155 HydrophobicContact CG2-CD1 3.96Å; V99-F184 HydrophobicContact CG1-CD1 4.29Å; V99-F184 HydrophobicContact CG1-CE1 3.59Å; V99-F184 HydrophobicContact CG1-CZ 4.2Å
100	V	94.2	Very high	88.8	Confident	8 Å²	8	45.4 Å²	45.4	5%	0.048	22%	0.221	C	C	.	.			trans	-65	122.2	177.4	172.4	0	0	0	0	110.1	C102 M116 E117 M119 L172 K180 V181 C182	V100-C102 PolarHBondContact O-N 3.13Å; V100-M116 HydrophobicContact CG1-CB 4.24Å; V100-E117 WeakPolarHBondContact CA-OE1 3.48Å; V100-E117 HydrophobicContact CG1-CG 3.78Å; V100-M119 HydrophobicContact CG2-CG 4.29Å; V100-L172 HydrophobicContact CG2-CD1 4.11Å; V100-K180 HydrophobicContact CG2-CB 3.62Å; V100-K180 HydrophobicContact CG2-CD 4.45Å; V100-V181 PolarHBondContact N-O 2.88Å; V100-C182 HydrophobicContact CB-CB 3.96Å; V100-C182 HydrophobicContact CG1-CB 4.47Å; V100-C182 HydrophobicContact CG2-CB 3.8Å
101	T	92.4	Very high	89.1	Confident	33 Å²	33	45.6 Å²	45.6	20%	0.202	22%	0.221	C	C	.	.			trans	-68.6	121.3	177.7	-57.3	0	0	0	0	110.3	V99 Y103 M116 E117	V99-T101 PolarHBondContact O-N 3.19Å; T101-Y103 HydrophobicContact CG2-CD1 3.81Å; T101-Y103 HydrophobicContact CG2-CE1 3.6Å; T101-Y103 HydrophobicContact CG2-CG 4.47Å; T101-M116 CarbonylContact O-C 3.58Å; T101-M116 VanDerWaalsContact O-CA 3.29Å; T101-M116 WeakPolarHBondContact O-CA 3.17Å; T101-E117 PolarHBondContact N-OE1 3.41Å; T101-E117 PolarHBondContact O-N 2.98Å; T101-E117 PolarHBondContact OG1-OE1 3.21Å
102	C	91.1	Very high	89.4	Confident	12 Å²	12	45.5 Å²	45.5	8%	0.081	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	114.5	166.4	168.5	0	0	0	0	108.7	T92 V100 I114 M116	T92-C102 WeakPolarHBondContact CA-O 3.37Å; V100-C102 PolarHBondContact O-N 3.13Å; C102-I114 WeakPolarHBondContact SG-CG2 3.34Å; C102-M116 HydrophobicContact CB-CG 4.44Å
103	Y	91.9	Very high	89.7	Confident	50 Å²	50	42.9 Å²	42.9	20%	0.196	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-47.6	-176.4	-63.2	-66	0	0	0	112.5	M27 L29 F67 T101 V115 E117	M27-Y103 VanDerWaalsContact SD-CB 3.58Å; M27-Y103 HydrophobicContact SD-CG 4.14Å; L29-Y103 HydrophobicContact CD1-CD1 4.42Å; L29-Y103 HydrophobicContact CD1-CE1 3.6Å; L29-Y103 HydrophobicContact CD1-CE2 4.22Å; L29-Y103 VanDerWaalsContact CD1-CZ 3.48Å; L29-Y103 WeakPolarHBondContact CD1-OH 3.23Å; F67-Y103 AromaticContact CD1-CD2 3.81Å; F67-Y103 HydrophobicContact CD1-CD2 3.81Å; F67-Y103 AromaticContact CD1-CE2 3.7Å; F67-Y103 HydrophobicContact CD1-CE2 3.7Å; F67-Y103 AromaticContact CE1-CD2 3.87Å; F67-Y103 HydrophobicContact CE1-CD2 3.87Å; F67-Y103 AromaticContact CE1-CE2 3.7Å; F67-Y103 HydrophobicContact CE1-CE2 3.7Å; T101-Y103 HydrophobicContact CG2-CD1 3.81Å; T101-Y103 HydrophobicContact CG2-CE1 3.6Å; T101-Y103 HydrophobicContact CG2-CG 4.47Å; Y103-V115 HydrophobicContact CD2-CG1 4.38Å; Y103-V115 PolarHBondContact N-O 2.9Å; Y103-E117 HydrophobicContact CE2-CB 3.96Å; Y103-E117 VanDerWaalsContact CE2-N 3.28Å
104	C	90.5	Very high	90.1	Very high	7 Å²	7	32.9 Å²	32.9	5%	0.047	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	168.8	-179.6	64	0	0	0	0	112.6	A25 M27 I36 V115	A25-C104 HydrophobicContact CB-CB 3.73Å; M27-C104 HydrophobicContact CB-CB 4.48Å; I36-C104 VanDerWaalsContact CG2-SG 3.56Å; C104-V115 PolarHBondContact N-O 3.37Å; C104-V115 PolarHBondContact O-N 3.32Å
105	G	89.9	Confident	90.4	Very high	9 Å²	9	32.6 Å²	32.6	9%	0.093	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.9	166.9	0	0	0	0	0	110.9	L113	G105-L113 CarbonylContact C-O 3.59Å; G105-L113 WeakPolarHBondContact CA-O 3.39Å
106	L	91.6	Very high	90.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154.1	174.1	-57.2	167.9	0	0	0	109.1	K22 A25 I36 A38 L41 V112 L113 V115	K22-L106 CarbonylContact O-C 3.52Å; K22-L106 WeakPolarHBondContact O-CA 3.23Å; A25-L106 HydrophobicContact CB-CD2 3.59Å; I36-L106 HydrophobicContact CG2-CD1 4.26Å; I36-L106 HydrophobicContact CG2-CD2 4.29Å; A38-L106 HydrophobicContact CB-CB 4.47Å; A38-L106 HydrophobicContact CB-CD1 4.15Å; L41-L106 HydrophobicContact CD1-CD1 3.88Å; L106-V112 CarbonylContact O-C 3.6Å; L106-V112 WeakPolarHBondContact O-CA 3.33Å; L106-L113 HydrophobicContact CB-CB 4.18Å; L106-L113 PolarHBondContact N-O 2.76Å; L106-L113 PolarHBondContact O-N 3.04Å; L106-V115 HydrophobicContact CD1-CG2 4.08Å
107	F	87.8	Confident	90.6	Very high	24 Å²	24	25.8 Å²	25.8	11%	0.105	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.9	168.9	-176.6	-103.8	0	0	0	109.4	F17 P18 L21 K22 E23 V74 D111 V112	F17-F107 HydrophobicContact CD1-CB 4.3Å; F17-F107 AromaticContact CD1-CD1 3.54Å; F17-F107 HydrophobicContact CD1-CD1 3.54Å; F17-F107 HydrophobicContact CD1-CE1 4.31Å; F17-F107 HydrophobicContact CD1-CG 4.29Å; F17-F107 AromaticContact CE1-CD1 3.86Å; F17-F107 HydrophobicContact CE1-CD1 3.86Å; P18-F107 HydrophobicContact CB-CE2 4.46Å; P18-F107 HydrophobicContact CG-CD1 4.14Å; P18-F107 HydrophobicContact CG-CD2 3.51Å; P18-F107 HydrophobicContact CG-CE1 3.78Å; P18-F107 HydrophobicContact CG-CE2 3.12Å; P18-F107 HydrophobicContact CG-CG 3.99Å; P18-F107 HydrophobicContact CG-CZ 3.24Å; L21-F107 HydrophobicContact CB-CB 3.79Å; K22-F107 PolarHBondContact O-N 3.43Å; E23-F107 WeakPolarHBondContact CA-O 2.99Å; E23-F107 VanDerWaalsContact CG-O 3.26Å; E23-F107 WeakPolarHBondContact CG-O 3.19Å; V74-F107 HydrophobicContact CB-CE2 4.44Å; V74-F107 HydrophobicContact CG2-CD2 4.37Å; V74-F107 HydrophobicContact CG2-CE2 3.87Å; F107-D111 WeakPolarHBondContact CA-O 3.49Å; F107-D111 WeakPolarHBondContact CD2-O 3.32Å; F107-V112 HydrophobicContact CD2-CG2 4.11Å
108	C	87.5	Confident	90.6	Very high	27 Å²	27	22.4 Å²	22.4	18%	0.182	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	130.6	-177.2	-170.3	0	0	0	0	109.5	A38 G110 D111 L113	A38-C108 HydrophobicContact CB-CB 3.56Å; C108-G110 PolarHBondContact O-N 3.1Å; C108-D111 PolarHBondContact N-O 3.01Å; C108-D111 PolarHBondContact O-N 3.05Å; C108-L113 HydrophobicContact CB-CD1 4.14Å
109	E	83.2	Confident	90.5	Very high	187 Å²	187	23 Å²	23	87%	0.874	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	30	173.4	-62.3	-178.1	173.2	0	0	115.6	D111	E109-D111 VanDerWaalsContact C-N 3.34Å
110	G	79.2	Confident	90.4	Very high	7 Å²	7	23.8 Å²	23.8	7%	0.072	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	-4.4	-179.4	0	0	0	0	0	114.8	V74 C108	V74-G110 VanDerWaalsContact CB-O 3.31Å; V74-G110 WeakPolarHBondContact CB-O 3.25Å; V74-G110 WeakPolarHBondContact CG2-O 3.41Å; V74-G110 PolarHBondContact N-O 3.07Å; C108-G110 PolarHBondContact O-N 3.1Å
111	D	84.7	Confident	90.5	Very high	32 Å²	32	23.8 Å²	23.8	17%	0.171	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	145.6	176.4	-70.6	-13.1	0	0	0	110.8	I72 S73 F107 C108 E109 L113	I72-D111 WeakPolarHBondContact O-CA 3.36Å; S73-D111 VanDerWaalsContact CA-OD1 3.23Å; S73-D111 WeakPolarHBondContact CA-OD1 3.44Å; S73-D111 WeakPolarHBondContact CB-OD1 3.43Å; S73-D111 PolarHBondContact OG-OD1 3.41Å; S73-D111 VanDerWaalsContact OG-OD1 3.1Å; F107-D111 WeakPolarHBondContact CA-O 3.49Å; F107-D111 WeakPolarHBondContact CD2-O 3.32Å; C108-D111 PolarHBondContact N-O 3.01Å; C108-D111 PolarHBondContact O-N 3.05Å; E109-D111 VanDerWaalsContact C-N 3.34Å; D111-L113 HydrophobicContact CB-CD1 3.94Å
112	V	86.9	Confident	90.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	127.5	163.9	172.7	0	0	0	0	108.1	L19 L21 H71 I72 V74 I84 L88 L106 F107 I114	L19-V112 HydrophobicContact CD1-CG2 3.67Å; L21-V112 HydrophobicContact CD1-CB 4.5Å; L21-V112 HydrophobicContact CD1-CG1 3.77Å; L21-V112 HydrophobicContact CD1-CG2 3.97Å; H71-V112 CarbonylContact C-O 3.55Å; H71-V112 WeakPolarHBondContact CA-O 3.44Å; I72-V112 HydrophobicContact CB-CB 4.4Å; I72-V112 PolarHBondContact N-O 3.42Å; I72-V112 PolarHBondContact O-N 3.44Å; V74-V112 HydrophobicContact CG2-CB 4.41Å; V74-V112 HydrophobicContact CG2-CG2 3.5Å; I84-V112 HydrophobicContact CG2-CB 4.29Å; I84-V112 HydrophobicContact CG2-CG1 3.81Å; I84-V112 HydrophobicContact CG2-CG2 4.21Å; L88-V112 HydrophobicContact CD1-CG1 4.19Å; L106-V112 CarbonylContact O-C 3.6Å; L106-V112 WeakPolarHBondContact O-CA 3.33Å; F107-V112 HydrophobicContact CD2-CG2 4.11Å; V112-I114 HydrophobicContact CG1-CG1 4.16Å
113	L	90.8	Very high	90.9	Very high	11 Å²	11	22 Å²	22	6%	0.058	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.1	175.9	-76.9	64.5	0	0	0	107.9	A38 V69 K70 G105 L106 C108 D111	A38-L113 HydrophobicContact CB-CD2 4.45Å; V69-L113 HydrophobicContact CG1-CB 3.89Å; V69-L113 HydrophobicContact CG1-CD2 4.15Å; V69-L113 HydrophobicContact CG1-CG 3.99Å; K70-L113 WeakPolarHBondContact O-CA 3.43Å; G105-L113 CarbonylContact C-O 3.59Å; G105-L113 WeakPolarHBondContact CA-O 3.39Å; L106-L113 HydrophobicContact CB-CB 4.18Å; L106-L113 PolarHBondContact N-O 2.76Å; L106-L113 PolarHBondContact O-N 3.04Å; C108-L113 HydrophobicContact CB-CD1 4.14Å; D111-L113 HydrophobicContact CB-CD1 3.94Å
114	I	90.5	Very high	91.1	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.015	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	115.5	173.4	-51.2	-174.8	0	0	0	107.8	V69 K70 I72 E87 L88 C102 V112 M116	V69-I114 WeakPolarHBondContact CA-O 3.4Å; K70-I114 HydrophobicContact CB-CB 4.27Å; K70-I114 PolarHBondContact N-O 2.92Å; K70-I114 PolarHBondContact O-N 2.87Å; I72-I114 HydrophobicContact CD1-CD1 3.67Å; I72-I114 HydrophobicContact CD1-CG1 4.33Å; E87-I114 HydrophobicContact CG-CD1 4.49Å; L88-I114 HydrophobicContact CD2-CB 4.37Å; L88-I114 HydrophobicContact CD2-CD1 4.22Å; L88-I114 HydrophobicContact CD2-CG1 3.93Å; L88-I114 HydrophobicContact CD2-CG2 3.91Å; L88-I114 HydrophobicContact CG-CD1 4.4Å; L88-I114 HydrophobicContact CG-CG1 4.45Å; C102-I114 WeakPolarHBondContact SG-CG2 3.34Å; V112-I114 HydrophobicContact CG1-CG1 4.16Å; I114-M116 HydrophobicContact CG2-CG 3.83Å; I114-M116 HydrophobicContact CG2-SD 4.15Å
115	V	93.3	Very high	91.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.2	-179.5	-174	0	0	0	0	108.7	I36 L41 F67 Y103 C104 L106	I36-V115 HydrophobicContact CD1-CG1 4.22Å; I36-V115 HydrophobicContact CD1-CG2 4.41Å; L41-V115 HydrophobicContact CD1-CG2 4.01Å; F67-V115 HydrophobicContact CB-CG1 3.77Å; F67-V115 HydrophobicContact CD1-CG1 3.87Å; F67-V115 HydrophobicContact CD2-CG1 4.12Å; F67-V115 HydrophobicContact CG-CG1 3.63Å; Y103-V115 HydrophobicContact CD2-CG1 4.38Å; Y103-V115 PolarHBondContact N-O 2.9Å; C104-V115 PolarHBondContact N-O 3.37Å; C104-V115 PolarHBondContact O-N 3.32Å; L106-V115 HydrophobicContact CD1-CG2 4.08Å
116	M	94	Very high	91.7	Very high	22 Å²	22	24.6 Å²	24.6	11%	0.108	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	162.4	-172.5	-54.6	175.6	-64.7	0	0	110.9	V55 A68 K70 V100 T101 C102 I114	V55-M116 HydrophobicContact CG1-CE 4.49Å; A68-M116 HydrophobicContact CB-CB 4.5Å; A68-M116 HydrophobicContact CB-CE 4.35Å; A68-M116 PolarHBondContact N-O 3.35Å; A68-M116 VanDerWaalsContact N-O 3.07Å; A68-M116 PolarHBondContact O-N 3.11Å; K70-M116 HydrophobicContact CB-CE 3.68Å; V100-M116 HydrophobicContact CG1-CB 4.24Å; T101-M116 CarbonylContact O-C 3.58Å; T101-M116 VanDerWaalsContact O-CA 3.29Å; T101-M116 WeakPolarHBondContact O-CA 3.17Å; C102-M116 HydrophobicContact CB-CG 4.44Å; I114-M116 HydrophobicContact CG2-CG 3.83Å; I114-M116 HydrophobicContact CG2-SD 4.15Å
117	E	94	Very high	91.9	Very high	16 Å²	16	25 Å²	25	8%	0.075	13%	0.125	C	C	.	.			trans	-59.5	144.7	168	71.3	178.9	139.2	0	0	111.3	V100 T101 Y103 M119 K180	V100-E117 WeakPolarHBondContact CA-OE1 3.48Å; V100-E117 HydrophobicContact CG1-CG 3.78Å; T101-E117 PolarHBondContact N-OE1 3.41Å; T101-E117 PolarHBondContact O-N 2.98Å; T101-E117 PolarHBondContact OG1-OE1 3.21Å; Y103-E117 HydrophobicContact CE2-CB 3.96Å; Y103-E117 VanDerWaalsContact CE2-N 3.28Å; E117-M119 HydrophobicContact CG-SD 4.35Å; E117-K180 WeakPolarHBondContact OE1-CD 3.5Å; E117-K180 WeakPolarHBondContact OE1-CE 3.02Å; E117-K180 IonicContact OE1-NZ 2.88Å; E117-K180 PolarHBondContact OE1-NZ 3.32Å; E117-K180 IonicContact OE2-NZ 3.56Å; E117-K180 PolarHBondContact OE2-NZ 3.33Å
118	L	95.5	Very high	92.3	Very high	20 Å²	20	29.5 Å²	29.5	11%	0.105	15%	0.145	C	C	.	.			trans	-87.1	133.1	178.7	-176.8	65.7	0	0	0	109.8	L47 K57 V66 A68 C325	L47-L118 HydrophobicContact CD1-CD1 3.58Å; K57-L118 HydrophobicContact CD-CD2 3.81Å; K57-L118 VanDerWaalsContact CE-CD2 3.49Å; K57-L118 HydrophobicContact CG-CD1 4.26Å; K57-L118 HydrophobicContact CG-CD2 3.9Å; V66-L118 HydrophobicContact CB-CD2 4.41Å; V66-L118 HydrophobicContact CG1-CD2 3.85Å; A68-L118 HydrophobicContact CB-CD1 4.02Å; L118-C325 HydrophobicContact CD2-CB 4.3Å; L118-C325 WeakPolarHBondContact CD2-SG 3.47Å; L118-C325 WeakPolarHBondContact CG-SG 3.43Å
119	M	95.9	Very high	92.7	Very high	14 Å²	14	30.2 Å²	30.2	7%	0.069	15%	0.145	C	C	.	.			trans	-117.5	146.3	171.4	-54.6	-63.6	-66.3	0	0	108.7	V100 E117 L172 D174 K180	V100-M119 HydrophobicContact CG2-CG 4.29Å; E117-M119 HydrophobicContact CG-SD 4.35Å; M119-L172 HydrophobicContact CB-CB 3.64Å; M119-L172 HydrophobicContact CB-CD1 3.97Å; M119-L172 HydrophobicContact CB-CG 4.42Å; M119-L172 HydrophobicContact CE-CB 4.34Å; M119-L172 HydrophobicContact CG-CB 3.66Å; M119-L172 HydrophobicContact CG-CD1 3.83Å; M119-L172 HydrophobicContact CG-CG 4.41Å; M119-D174 HydrophobicContact CE-CB 3.92Å; M119-D174 HydrophobicContact SD-CB 4.42Å; M119-K180 HydrophobicContact CE-CB 4.08Å; M119-K180 HydrophobicContact CE-CD 4.15Å; M119-K180 HydrophobicContact CE-CG 3.93Å; M119-K180 HydrophobicContact SD-CD 4.04Å; M119-K180 HydrophobicContact SD-CG 4.45Å
120	D	94.2	Very high	93.4	Very high	18 Å²	18	21.3 Å²	21.3	10%	0.096	10%	0.103	C	C	.	.	S	Bend	trans	-74.4	-35	-172.1	-65	-70.6	0	0	0	113.1	A173 D174 C175 L319 K324 C325	D120-A173 PolarHBondContact N-O 2.97Å; D120-D174 VanDerWaalsContact OD2-C 3.29Å; D120-D174 WeakPolarHBondContact OD2-CA 3.33Å; D120-D174 WeakPolarHBondContact OD2-CB 3.13Å; D120-C175 PolarHBondContact OD2-N 3.35Å; D120-L319 HydrophobicContact CB-CD1 4.22Å; D120-L319 HydrophobicContact CB-CD2 3.99Å; D120-K324 VanDerWaalsContact OD1-CA 3.28Å; D120-K324 WeakPolarHBondContact OD1-CA 3.35Å; D120-C325 PolarHBondContact OD1-N 3.22Å; D120-C325 PolarHBondContact OD1-SG 3.06Å
121	T	94.7	Very high	94.2	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.043	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	165.9	-177.6	-159.9	0	0	0	0	112.7	L126 L172 A173 L315 L319	T121-L126 HydrophobicContact CG2-CB 4.32Å; T121-L172 CarbonylContact O-C 3.57Å; T121-L172 WeakPolarHBondContact O-CA 3.34Å; T121-A173 HydrophobicContact CG2-CB 4.14Å; T121-A173 PolarHBondContact N-O 3.11Å; T121-A173 PolarHBondContact O-N 3.36Å; T121-L315 HydrophobicContact CG2-CD1 4.15Å; T121-L319 HydrophobicContact CG2-CD2 4.07Å
122	S	95.7	Very high	94.8	Very high	9 Å²	9	28.7 Å²	28.7	6%	0.063	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	152.4	168	54.8	0	0	0	0	109.8	D124 K125 L126 M171	S122-D124 VanDerWaalsContact CB-OD1 3.24Å; S122-D124 WeakPolarHBondContact CB-OD1 3.43Å; S122-D124 PolarHBondContact O-N 3.5Å; S122-D124 PolarHBondContact OG-OD1 3.41Å; S122-K125 WeakPolarHBondContact O-CB 3.45Å; S122-K125 PolarHBondContact O-N 2.93Å; S122-K125 VanDerWaalsContact O-N 3.08Å; S122-K125 WeakPolarHBondContact OG-CD 3.27Å; S122-K125 WeakPolarHBondContact OG-CG 3.33Å; S122-L126 PolarHBondContact O-N 3.07Å; S122-M171 CarbonylContact C-O 3.46Å; S122-M171 WeakPolarHBondContact CA-O 3.45Å
123	L	97.8	Very high	95.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66	-25.9	-177.1	-65.7	-173.1	0	0	0	112.7	L126 L127 I145 P168 M171 A173 L234 F311	L123-L126 HydrophobicContact CD2-CD2 3.97Å; L123-L126 PolarHBondContact O-N 3.34Å; L123-L127 WeakPolarHBondContact O-CB 3.25Å; L123-L127 PolarHBondContact O-N 3.41Å; L123-I145 HydrophobicContact CD1-CG2 3.4Å; L123-I145 HydrophobicContact CD2-CD1 4.38Å; L123-P168 HydrophobicContact CB-CB 4.13Å; L123-P168 WeakPolarHBondContact CB-O 3.19Å; L123-P168 PolarHBondContact N-O 3.44Å; L123-P168 VanDerWaalsContact N-O 3.12Å; L123-M171 HydrophobicContact CB-CB 4.17Å; L123-M171 HydrophobicContact CD1-CB 3.48Å; L123-M171 VanDerWaalsContact CD1-CB 3.48Å; L123-M171 HydrophobicContact CD1-CG 4.3Å; L123-M171 HydrophobicContact CD1-SD 3.91Å; L123-M171 HydrophobicContact CG-CB 3.73Å; L123-M171 WeakPolarHBondContact CG-O 3.24Å; L123-M171 PolarHBondContact N-O 2.89Å; L123-A173 HydrophobicContact CD2-CB 4.32Å; L123-L234 HydrophobicContact CB-CD2 4.09Å; L123-L234 HydrophobicContact CD1-CD1 4.11Å; L123-F311 HydrophobicContact CD2-CZ 4.15Å
124	D	95.3	Very high	95.4	Very high	30 Å²	30	38 Å²	38	16%	0.16	19%	0.194	C	C	.	.	H	α-helix	trans	-67.3	-35.9	172.3	81.4	-64.5	0	0	0	112.6	S122 K128 P168 S169	S122-D124 VanDerWaalsContact CB-OD1 3.24Å; S122-D124 WeakPolarHBondContact CB-OD1 3.43Å; S122-D124 PolarHBondContact O-N 3.5Å; S122-D124 PolarHBondContact OG-OD1 3.41Å; D124-K128 WeakPolarHBondContact O-CD 3.2Å; D124-K128 WeakPolarHBondContact O-CG 3.46Å; D124-K128 PolarHBondContact O-N 2.83Å; D124-K128 IonicContact OD2-NZ 2.75Å; D124-K128 PolarHBondContact OD2-NZ 3.35Å; D124-P168 HydrophobicContact CB-CB 4.03Å; D124-P168 PolarHBondContact N-O 2.86Å; D124-S169 WeakPolarHBondContact OD1-CA 3.3Å
125	K	95.2	Very high	95.7	Very high	89 Å²	89	45.2 Å²	45.2	39%	0.387	22%	0.221	S	C	.	.	H	α-helix	trans	-70.7	-45.9	174.5	-70.4	175.2	-174.6	174.4	0	110.2	L47 S122 K128 K129	L47-K125 PolarHBondContact O-NZ 3.45Å; S122-K125 WeakPolarHBondContact O-CB 3.45Å; S122-K125 PolarHBondContact O-N 2.93Å; S122-K125 VanDerWaalsContact O-N 3.08Å; S122-K125 WeakPolarHBondContact OG-CD 3.27Å; S122-K125 WeakPolarHBondContact OG-CG 3.33Å; K125-K128 PolarHBondContact O-N 3.33Å; K125-K129 PolarHBondContact O-N 3.37Å; K125-K129 VanDerWaalsContact O-N 3.13Å
126	L	96.9	Very high	95.8	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-46.4	176.1	-178.8	60	0	0	0	111.4	T121 S122 L123 K128 K129 V130 F137 F311 L315 Y318	T121-L126 HydrophobicContact CG2-CB 4.32Å; S122-L126 PolarHBondContact O-N 3.07Å; L123-L126 HydrophobicContact CD2-CD2 3.97Å; L123-L126 PolarHBondContact O-N 3.34Å; L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 2.91Å; L126-K129 WeakPolarHBondContact O-CB 3.25Å; L126-K129 PolarHBondContact O-N 2.73Å; L126-V130 HydrophobicContact CD1-CG2 4.06Å; L126-V130 HydrophobicContact CG-CG2 4.19Å; L126-V130 VanDerWaalsContact O-CG2 3.29Å; L126-V130 WeakPolarHBondContact O-CG2 3.46Å; L126-V130 PolarHBondContact O-N 2.99Å; L126-F137 HydrophobicContact CD2-CE1 3.87Å; L126-F137 HydrophobicContact CD2-CZ 4.14Å; L126-F137 HydrophobicContact CG-CE1 4.18Å; L126-F137 HydrophobicContact CG-CZ 3.98Å; L126-F311 HydrophobicContact CD2-CE2 3.77Å; L126-F311 HydrophobicContact CD2-CZ 3.85Å; L126-L315 HydrophobicContact CD1-CD1 3.7Å; L126-L315 HydrophobicContact CD2-CD1 3.82Å; L126-L315 HydrophobicContact CG-CD1 4.36Å; L126-Y318 HydrophobicContact CD1-CD2 4.13Å; L126-Y318 HydrophobicContact CD1-CG 3.98Å
127	L	97.4	Very high	95.9	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-50.6	-51.4	175.5	178.2	68.5	0	0	0	111.5	L123 K129 V130 Y131 F137 E233 L234	L123-L127 WeakPolarHBondContact O-CB 3.25Å; L123-L127 PolarHBondContact O-N 3.41Å; L127-K129 VanDerWaalsContact C-N 3.34Å; L127-K129 PolarHBondContact O-N 2.98Å; L127-V130 PolarHBondContact O-N 3.41Å; L127-Y131 HydrophobicContact CD1-CD2 3.62Å; L127-Y131 HydrophobicContact CD1-CE2 3.5Å; L127-Y131 HydrophobicContact CG-CD2 4.39Å; L127-Y131 WeakPolarHBondContact O-CD2 3.32Å; L127-Y131 PolarHBondContact O-N 2.92Å; L127-F137 HydrophobicContact CB-CE2 4.44Å; L127-F137 HydrophobicContact CD1-CD2 4.45Å; L127-F137 HydrophobicContact CD1-CE2 3.71Å; L127-E233 HydrophobicContact CD2-CG 3.56Å; L127-L234 HydrophobicContact CB-CD2 4.4Å; L127-L234 HydrophobicContact CD1-CD2 4.22Å
128	K	96.2	Very high	96	Very high	119 Å²	119	50.3 Å²	50.3	52%	0.517	25%	0.254	S	S	.	.	H	α-helix	trans	-58.3	-45.5	177.4	-71.5	164.7	-174.1	157.6	0	111.4	D124 K125 L126 N132	D124-K128 WeakPolarHBondContact O-CD 3.2Å; D124-K128 WeakPolarHBondContact O-CG 3.46Å; D124-K128 PolarHBondContact O-N 2.83Å; D124-K128 IonicContact OD2-NZ 2.75Å; D124-K128 PolarHBondContact OD2-NZ 3.35Å; K125-K128 PolarHBondContact O-N 3.33Å; L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 2.91Å; K128-N132 WeakPolarHBondContact O-CB 3.44Å; K128-N132 PolarHBondContact O-N 3.42Å; K128-N132 PolarHBondContact O-ND2 3.06Å
129	K	95.8	Very high	96	Very high	43 Å²	43	52.2 Å²	52.2	19%	0.187	27%	0.267	C	S	.	.	H	α-helix	trans	-62.3	-44.4	178.6	-68.1	-170.4	-178.1	-165.7	0	112.3	K125 L126 L127 R133 Y318 D320 E323	K125-K129 PolarHBondContact O-N 3.37Å; K125-K129 VanDerWaalsContact O-N 3.13Å; L126-K129 WeakPolarHBondContact O-CB 3.25Å; L126-K129 PolarHBondContact O-N 2.73Å; L127-K129 VanDerWaalsContact C-N 3.34Å; L127-K129 PolarHBondContact O-N 2.98Å; K129-R133 WeakPolarHBondContact O-CG 3.4Å; K129-R133 PolarHBondContact O-N 3.26Å; K129-Y318 HydrophobicContact CB-CD1 4.14Å; K129-Y318 WeakPolarHBondContact CD-O 3.38Å; K129-Y318 PolarHBondContact NZ-O 3.03Å; K129-D320 IonicContact NZ-OD2 2.66Å; K129-D320 PolarHBondContact NZ-OD2 2.78Å; K129-E323 IonicContact NZ-OE1 2.84Å; K129-E323 PolarHBondContact NZ-OE1 3.44Å; K129-E323 IonicContact NZ-OE2 2.65Å; K129-E323 PolarHBondContact NZ-OE2 3.28Å
130	V	97.5	Very high	96	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-53.2	-179.5	171.6	0	0	0	0	110.8	L126 L127 R133 R135 F137 F314 Y318	L126-V130 HydrophobicContact CD1-CG2 4.06Å; L126-V130 HydrophobicContact CG-CG2 4.19Å; L126-V130 VanDerWaalsContact O-CG2 3.29Å; L126-V130 WeakPolarHBondContact O-CG2 3.46Å; L126-V130 PolarHBondContact O-N 2.99Å; L127-V130 PolarHBondContact O-N 3.41Å; V130-R133 PolarHBondContact O-N 3.16Å; V130-R135 HydrophobicContact CG1-CB 4.04Å; V130-R135 WeakPolarHBondContact O-CB 3.41Å; V130-R135 PolarHBondContact O-N 3.4Å; V130-R135 VanDerWaalsContact O-N 3.11Å; V130-F137 HydrophobicContact CB-CE2 4.09Å; V130-F137 HydrophobicContact CB-CZ 4.45Å; V130-F137 HydrophobicContact CG1-CD2 4.14Å; V130-F137 HydrophobicContact CG1-CE2 4.08Å; V130-F137 HydrophobicContact CG2-CE1 4.49Å; V130-F137 HydrophobicContact CG2-CE2 4.1Å; V130-F137 HydrophobicContact CG2-CZ 3.97Å; V130-F314 HydrophobicContact CG1-CZ 4.1Å; V130-F314 HydrophobicContact CG2-CE1 3.92Å; V130-F314 HydrophobicContact CG2-CZ 3.57Å; V130-Y318 HydrophobicContact CB-CE1 4.24Å; V130-Y318 HydrophobicContact CG2-CD1 4.02Å; V130-Y318 HydrophobicContact CG2-CD2 4.13Å; V130-Y318 HydrophobicContact CG2-CE1 3.78Å; V130-Y318 HydrophobicContact CG2-CE2 3.93Å; V130-Y318 HydrophobicContact CG2-CG 4.18Å
131	Y	96.8	Very high	96.2	Very high	51 Å²	51	54.6 Å²	54.6	20%	0.2	28%	0.28	C	S	.	.	H	α-helix	trans	-76	-30.1	-175.6	-78.4	-97.1	0	0	0	113.4	L127 R133 G134 T136 F137 L234 A235 T236 G237	L127-Y131 HydrophobicContact CD1-CD2 3.62Å; L127-Y131 HydrophobicContact CD1-CE2 3.5Å; L127-Y131 HydrophobicContact CG-CD2 4.39Å; L127-Y131 WeakPolarHBondContact O-CD2 3.32Å; L127-Y131 PolarHBondContact O-N 2.92Å; Y131-R133 PolarHBondContact O-N 2.75Å; Y131-G134 PolarHBondContact O-N 3.35Å; Y131-T136 HydrophobicContact CE1-CG2 3.85Å; Y131-F137 AromaticContact CE2-CD2 3.96Å; Y131-F137 HydrophobicContact CE2-CD2 3.96Å; Y131-F137 HydrophobicContact CE2-CE2 4.09Å; Y131-L234 PolarHBondContact OH-O 3.14Å; Y131-L234 VanDerWaalsContact OH-O 3.14Å; Y131-A235 PolarHBondContact OH-O 3Å; Y131-T236 VanDerWaalsContact CE1-C 3.41Å; Y131-T236 WeakPolarHBondContact CE1-O 3.47Å; Y131-T236 PolarHBondContact OH-N 2.78Å; Y131-G237 VanDerWaalsContact CE1-CA 3.46Å; Y131-G237 VanDerWaalsContact CZ-CA 3.45Å; Y131-G237 PolarHBondContact OH-N 2.69Å
132	N	96.2	Very high	96.4	Very high	142 Å²	142	54.4 Å²	54.4	76%	0.759	28%	0.279	S	S	*	.	H	α-helix	trans	-64.1	-24.3	172.2	-74.1	-12.8	0	0	0	112.6	K128 G134	K128-N132 WeakPolarHBondContact O-CB 3.44Å; K128-N132 PolarHBondContact O-N 3.42Å; K128-N132 PolarHBondContact O-ND2 3.06Å; N132-G134 VanDerWaalsContact C-N 3.29Å
133	R	95.6	Very high	96.5	Very high	137 Å²	137	54.3 Å²	54.3	52%	0.517	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	8.6	172.3	-66.1	-176.3	-175.8	177.3	2.6	113.1	K129 V130 Y131 R135 D317	K129-R133 WeakPolarHBondContact O-CG 3.4Å; K129-R133 PolarHBondContact O-N 3.26Å; V130-R133 PolarHBondContact O-N 3.16Å; Y131-R133 PolarHBondContact O-N 2.75Å; R133-R135 VanDerWaalsContact C-N 3.26Å; R133-R135 HydrophobicContact CB-CG 4.29Å; R133-R135 PolarHBondContact O-N 3.29Å; R133-D317 PolarHBondContact NH1-O 2.81Å
134	G	95	Very high	96.5	Very high	71 Å²	71	54.3 Å²	54.3	73%	0.732	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	24.7	-178.6	0	0	0	0	0	113.7	Y131 N132	Y131-G134 PolarHBondContact O-N 3.35Å; N132-G134 VanDerWaalsContact C-N 3.29Å
135	R	95.8	Very high	96.7	Very high	154 Å²	154	52.9 Å²	52.9	58%	0.581	27%	0.271	S	S	*	.			trans	-107.3	167.5	179	-56.7	-68.3	-76.1	-140	-7.3	110.2	V130 R133	V130-R135 HydrophobicContact CG1-CB 4.04Å; V130-R135 WeakPolarHBondContact O-CB 3.41Å; V130-R135 PolarHBondContact O-N 3.4Å; V130-R135 VanDerWaalsContact O-N 3.11Å; R133-R135 VanDerWaalsContact C-N 3.26Å; R133-R135 HydrophobicContact CB-CG 4.29Å; R133-R135 PolarHBondContact O-N 3.29Å
136	T	95.3	Very high	96.9	Very high	82 Å²	82	48.8 Å²	48.8	50%	0.503	25%	0.253	S	S	.	.			trans	-127.1	162.7	173.1	54.5	0	0	0	0	109.4	Y131 P138	Y131-T136 HydrophobicContact CE1-CG2 3.85Å; T136-P138 WeakPolarHBondContact O-CD 3.32Å
137	F	96.9	Very high	97	Very high	13 Å²	13	49.4 Å²	49.4	6%	0.057	26%	0.256	C	S	.	.			trans	-69.8	126.4	170.8	-72.2	-100	0	0	0	109.5	L126 L127 V130 Y131 V141 L142 I145 L234 F314	L126-F137 HydrophobicContact CD2-CE1 3.87Å; L126-F137 HydrophobicContact CD2-CZ 4.14Å; L126-F137 HydrophobicContact CG-CE1 4.18Å; L126-F137 HydrophobicContact CG-CZ 3.98Å; L127-F137 HydrophobicContact CB-CE2 4.44Å; L127-F137 HydrophobicContact CD1-CD2 4.45Å; L127-F137 HydrophobicContact CD1-CE2 3.71Å; V130-F137 HydrophobicContact CB-CE2 4.09Å; V130-F137 HydrophobicContact CB-CZ 4.45Å; V130-F137 HydrophobicContact CG1-CD2 4.14Å; V130-F137 HydrophobicContact CG1-CE2 4.08Å; V130-F137 HydrophobicContact CG2-CE1 4.49Å; V130-F137 HydrophobicContact CG2-CE2 4.1Å; V130-F137 HydrophobicContact CG2-CZ 3.97Å; Y131-F137 AromaticContact CE2-CD2 3.96Å; Y131-F137 HydrophobicContact CE2-CD2 3.96Å; Y131-F137 HydrophobicContact CE2-CE2 4.09Å; F137-V141 HydrophobicContact CD1-CG1 4.07Å; F137-L142 HydrophobicContact CB-CB 4.4Å; F137-I145 HydrophobicContact CD1-CD1 3.96Å; F137-I145 HydrophobicContact CE1-CD1 3.99Å; F137-L234 VanDerWaalsContact CD2-O 3.25Å; F137-L234 WeakPolarHBondContact CD2-O 3.24Å; F137-L234 HydrophobicContact CE2-CD2 4.4Å; F137-L234 HydrophobicContact CZ-CD2 4.3Å; F137-F314 AromaticContact CD1-CE1 3.66Å; F137-F314 HydrophobicContact CD1-CE1 3.66Å; F137-F314 AromaticContact CD1-CZ 3.91Å; F137-F314 HydrophobicContact CD1-CZ 3.91Å; F137-F314 AromaticContact CE1-CE1 3.67Å; F137-F314 HydrophobicContact CE1-CE1 3.67Å; F137-F314 HydrophobicContact CE1-CZ 4.18Å; F137-F314 HydrophobicContact CG-CE1 4.48Å; F137-F314 HydrophobicContact CG-CZ 4.29Å; F137-F314 HydrophobicContact CZ-CE1 4.47Å
138	P	96.1	Very high	97	Very high	49 Å²	49	49 Å²	49	32%	0.318	25%	0.254	S	S	.	.			trans	-56.4	146.7	167.3	-25	35.4	0	0	0	110.9	T136 D140 V141 L142 F314	T136-P138 WeakPolarHBondContact O-CD 3.32Å; P138-D140 VanDerWaalsContact C-N 3.33Å; P138-D140 WeakPolarHBondContact CB-OD1 3.31Å; P138-D140 PolarHBondContact O-N 3.29Å; P138-V141 HydrophobicContact CB-CB 4.21Å; P138-V141 HydrophobicContact CB-CG2 4.06Å; P138-V141 HydrophobicContact CG-CB 4.48Å; P138-V141 HydrophobicContact CG-CG2 4.14Å; P138-V141 WeakPolarHBondContact O-CB 3.36Å; P138-V141 PolarHBondContact O-N 2.74Å; P138-L142 PolarHBondContact O-N 3.33Å; P138-F314 HydrophobicContact CG-CD2 3.95Å; P138-F314 HydrophobicContact CG-CE2 4.12Å
139	T	95.2	Very high	97.2	Very high	61 Å²	61	43.4 Å²	43.4	37%	0.374	23%	0.23	S	C	.	.	H	α-helix	trans	-58.9	-42.2	-176.5	-60.8	0	0	0	0	112.8	L142 A143 P269 F298	T139-L142 PolarHBondContact O-N 3.47Å; T139-A143 WeakPolarHBondContact O-CB 3.43Å; T139-A143 PolarHBondContact O-N 2.85Å; T139-P269 HydrophobicContact CG2-CG 3.68Å; T139-F298 HydrophobicContact CG2-CE2 4.12Å
140	D	96.3	Very high	97.3	Very high	78 Å²	78	41.4 Å²	41.4	42%	0.417	22%	0.221	S	C	.	.	H	α-helix	trans	-65	-41.5	178.9	62.4	-51	0	0	0	111.6	P138 A143 Y144 S310	P138-D140 VanDerWaalsContact C-N 3.33Å; P138-D140 WeakPolarHBondContact CB-OD1 3.31Å; P138-D140 PolarHBondContact O-N 3.29Å; D140-A143 PolarHBondContact O-N 3.47Å; D140-Y144 PolarHBondContact O-N 3.35Å; D140-S310 VanDerWaalsContact OD2-CB 3.24Å; D140-S310 WeakPolarHBondContact OD2-CB 3.41Å; D140-S310 PolarHBondContact OD2-OG 3.21Å
141	V	98.2	Very high	97.3	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-47.6	173.2	169.4	0	0	0	0	111	F137 P138 A143 Y144 I145 F311 F314	F137-V141 HydrophobicContact CD1-CG1 4.07Å; P138-V141 HydrophobicContact CB-CB 4.21Å; P138-V141 HydrophobicContact CB-CG2 4.06Å; P138-V141 HydrophobicContact CG-CB 4.48Å; P138-V141 HydrophobicContact CG-CG2 4.14Å; P138-V141 WeakPolarHBondContact O-CB 3.36Å; P138-V141 PolarHBondContact O-N 2.74Å; V141-A143 VanDerWaalsContact C-N 3.33Å; V141-A143 PolarHBondContact O-N 3.38Å; V141-Y144 PolarHBondContact O-N 2.84Å; V141-I145 HydrophobicContact CG1-CD1 3.93Å; V141-I145 WeakPolarHBondContact O-CG1 3.37Å; V141-I145 PolarHBondContact O-N 2.93Å; V141-F311 HydrophobicContact CG1-CB 4.38Å; V141-F311 HydrophobicContact CG1-CD2 3.43Å; V141-F311 VanDerWaalsContact CG1-CD2 3.43Å; V141-F311 HydrophobicContact CG1-CE2 4.12Å; V141-F311 HydrophobicContact CG1-CG 4.27Å; V141-F314 HydrophobicContact CG1-CD1 3.94Å; V141-F314 HydrophobicContact CG1-CE1 4.36Å; V141-F314 HydrophobicContact CG1-CG 4.26Å; V141-F314 HydrophobicContact CG2-CB 3.89Å; V141-F314 HydrophobicContact CG2-CG 4.16Å
142	L	98.2	Very high	97.3	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-42.7	178.2	-174.4	62.3	0	0	0	111	F137 P138 T139 Y144 I145 V146 V231 L234 A235 L272 F298	F137-L142 HydrophobicContact CB-CB 4.4Å; P138-L142 PolarHBondContact O-N 3.33Å; T139-L142 PolarHBondContact O-N 3.47Å; L142-Y144 PolarHBondContact O-N 2.96Å; L142-I145 PolarHBondContact O-N 3.31Å; L142-V146 HydrophobicContact CD1-CG2 4.43Å; L142-V146 VanDerWaalsContact O-CG2 3.25Å; L142-V146 WeakPolarHBondContact O-CG2 3.42Å; L142-V146 PolarHBondContact O-N 3.46Å; L142-V231 HydrophobicContact CD1-CG1 4.48Å; L142-V231 HydrophobicContact CD2-CG1 4.4Å; L142-L234 HydrophobicContact CD1-CB 3.72Å; L142-L234 HydrophobicContact CD1-CD1 4.21Å; L142-A235 HydrophobicContact CD2-CB 3.94Å; L142-L272 HydrophobicContact CD2-CD1 4Å; L142-L272 HydrophobicContact CD2-CD2 3.86Å; L142-F298 HydrophobicContact CG-CZ 4.46Å
143	A	98.6	Very high	97.3	Very high	6 Å²	6	34.4 Å²	34.4	5%	0.05	19%	0.186	C	C	.	.	H	α-helix	trans	-62.5	-41	178.1	0	0	0	0	0	112	T139 D140 V141 V146 L147 F298 V302	T139-A143 WeakPolarHBondContact O-CB 3.43Å; T139-A143 PolarHBondContact O-N 2.85Å; D140-A143 PolarHBondContact O-N 3.47Å; V141-A143 VanDerWaalsContact C-N 3.33Å; V141-A143 PolarHBondContact O-N 3.38Å; A143-V146 PolarHBondContact O-N 3.23Å; A143-L147 VanDerWaalsContact O-CB 3.31Å; A143-L147 WeakPolarHBondContact O-CB 3.42Å; A143-L147 PolarHBondContact O-N 2.89Å; A143-F298 HydrophobicContact CB-CE1 4.12Å; A143-F298 HydrophobicContact CB-CE2 3.93Å; A143-F298 HydrophobicContact CB-CZ 3.63Å; A143-V302 HydrophobicContact CB-CG2 3.65Å
144	Y	98.8	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-43.1	174.6	172.1	-101.4	0	0	0	113.3	R97 D140 V141 L142 V146 L147 S148 G177 V179 A304 Q308 F311	R97-Y144 PolarHBondContact NH2-OH 2.88Å; D140-Y144 PolarHBondContact O-N 3.35Å; V141-Y144 PolarHBondContact O-N 2.84Å; L142-Y144 PolarHBondContact O-N 2.96Å; Y144-V146 VanDerWaalsContact C-N 3.33Å; Y144-V146 PolarHBondContact O-N 3.39Å; Y144-L147 PolarHBondContact O-N 2.97Å; Y144-S148 PolarHBondContact O-N 3.41Å; Y144-S148 PolarHBondContact O-OG 2.94Å; Y144-G177 VanDerWaalsContact CE1-O 3.23Å; Y144-G177 WeakPolarHBondContact CE1-O 3.27Å; Y144-G177 PolarHBondContact OH-O 3.22Å; Y144-G177 VanDerWaalsContact OH-O 3.12Å; Y144-V179 HydrophobicContact CD1-CG2 4.33Å; Y144-V179 HydrophobicContact CE1-CB 4.45Å; Y144-V179 HydrophobicContact CE1-CG2 3.84Å; Y144-A304 VanDerWaalsContact CE2-O 3.26Å; Y144-A304 WeakPolarHBondContact CE2-O 3.26Å; Y144-Q308 VanDerWaalsContact CD2-N 3.35Å; Y144-Q308 HydrophobicContact CE1-CB 4.3Å; Y144-Q308 HydrophobicContact CE2-CB 3.68Å; Y144-Q308 VanDerWaalsContact CE2-N 3.35Å; Y144-Q308 VanDerWaalsContact CZ-CA 3.45Å; Y144-Q308 WeakPolarHBondContact OH-CB 3.27Å; Y144-Q308 WeakPolarHBondContact OH-CG 3.43Å; Y144-F311 HydrophobicContact CD1-CB 3.7Å; Y144-F311 HydrophobicContact CD1-CD1 4.12Å; Y144-F311 HydrophobicContact CD1-CG 4.16Å; Y144-F311 HydrophobicContact CE1-CB 4.08Å; Y144-F311 AromaticContact CE1-CD1 3.94Å; Y144-F311 HydrophobicContact CE1-CD1 3.94Å; Y144-F311 HydrophobicContact CE1-CG 4.38Å
145	I	98.9	Very high	97.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-57	-51.1	174.9	-73.1	165.9	0	0	0	109.5	L123 F137 V141 L142 S148 V149 V179 L234 F311	L123-I145 HydrophobicContact CD1-CG2 3.4Å; L123-I145 HydrophobicContact CD2-CD1 4.38Å; F137-I145 HydrophobicContact CD1-CD1 3.96Å; F137-I145 HydrophobicContact CE1-CD1 3.99Å; V141-I145 HydrophobicContact CG1-CD1 3.93Å; V141-I145 WeakPolarHBondContact O-CG1 3.37Å; V141-I145 PolarHBondContact O-N 2.93Å; L142-I145 PolarHBondContact O-N 3.31Å; I145-S148 PolarHBondContact O-N 3.36Å; I145-V149 WeakPolarHBondContact O-CG2 3.49Å; I145-V149 PolarHBondContact O-N 2.89Å; I145-V179 HydrophobicContact CG1-CG2 4.01Å; I145-V179 HydrophobicContact CG2-CG1 4.49Å; I145-L234 HydrophobicContact CG2-CD1 4.17Å; I145-F311 HydrophobicContact CD1-CD2 4.19Å; I145-F311 HydrophobicContact CD1-CE2 3.81Å; I145-F311 HydrophobicContact CD1-CZ 4.21Å; I145-F311 HydrophobicContact CG1-CD2 4.39Å; I145-F311 HydrophobicContact CG1-CE2 4.22Å; I145-F311 HydrophobicContact CG1-CZ 4.3Å
146	V	98.8	Very high	97.2	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-65.1	-43	-178	177.9	0	0	0	0	111.4	L142 A143 Y144 S148 V149 V150 V231 F275 F298 L299	L142-V146 HydrophobicContact CD1-CG2 4.43Å; L142-V146 VanDerWaalsContact O-CG2 3.25Å; L142-V146 WeakPolarHBondContact O-CG2 3.42Å; L142-V146 PolarHBondContact O-N 3.46Å; A143-V146 PolarHBondContact O-N 3.23Å; Y144-V146 VanDerWaalsContact C-N 3.33Å; Y144-V146 PolarHBondContact O-N 3.39Å; V146-S148 VanDerWaalsContact C-N 3.31Å; V146-S148 PolarHBondContact O-N 2.83Å; V146-V149 PolarHBondContact O-N 3.44Å; V146-V150 HydrophobicContact CG1-CG2 4.16Å; V146-V150 VanDerWaalsContact O-CG2 3.32Å; V146-V150 WeakPolarHBondContact O-CG2 3.24Å; V146-V150 PolarHBondContact O-N 2.99Å; V146-V231 HydrophobicContact CG1-CG2 4.21Å; V146-V231 HydrophobicContact CG2-CB 4.31Å; V146-V231 HydrophobicContact CG2-CG1 3.85Å; V146-V231 HydrophobicContact CG2-CG2 3.46Å; V146-V231 VanDerWaalsContact CG2-CG2 3.46Å; V146-F275 HydrophobicContact CG1-CE1 3.64Å; V146-F275 HydrophobicContact CG1-CE2 4.25Å; V146-F275 HydrophobicContact CG1-CZ 3.4Å; V146-F275 VanDerWaalsContact CG1-CZ 3.4Å; V146-F298 HydrophobicContact CB-CE1 4.3Å; V146-F298 HydrophobicContact CG2-CE1 4.3Å; V146-L299 HydrophobicContact CB-CD2 4.06Å; V146-L299 HydrophobicContact CG1-CD1 4.01Å; V146-L299 HydrophobicContact CG1-CD2 3.92Å; V146-L299 HydrophobicContact CG1-CG 4.49Å
147	L	98.8	Very high	97	Very high	14 Å²	14	19.9 Å²	19.9	7%	0.073	10%	0.104	C	C	.	.	H	α-helix	trans	-52.3	-52.3	173.4	175.5	66.8	0	0	0	110.5	A143 Y144 V149 V150 E151 L294 L299 V302 A304	A143-L147 VanDerWaalsContact O-CB 3.31Å; A143-L147 WeakPolarHBondContact O-CB 3.42Å; A143-L147 PolarHBondContact O-N 2.89Å; Y144-L147 PolarHBondContact O-N 2.97Å; L147-V149 VanDerWaalsContact C-N 3.32Å; L147-V149 PolarHBondContact O-N 3.18Å; L147-V150 PolarHBondContact O-N 2.86Å; L147-E151 HydrophobicContact CD1-CG 4.27Å; L147-E151 HydrophobicContact CG-CG 4.45Å; L147-E151 WeakPolarHBondContact O-CG 3.41Å; L147-E151 PolarHBondContact O-N 3.37Å; L147-L294 HydrophobicContact CD1-CD2 3.72Å; L147-L299 HydrophobicContact CB-CD2 4.38Å; L147-V302 HydrophobicContact CB-CG1 4.48Å; L147-V302 HydrophobicContact CD2-CB 4.05Å; L147-V302 HydrophobicContact CD2-CG1 3.66Å; L147-A304 HydrophobicContact CD2-CB 4.2Å
148	S	98.8	Very high	96.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.9	-41	-177.8	-57.3	0	0	0	0	111.9	S98 Y144 I145 V146 A152	S98-S148 WeakPolarHBondContact CB-O 3.41Å; S98-S148 PolarHBondContact OG-O 3.1Å; Y144-S148 PolarHBondContact O-N 3.41Å; Y144-S148 PolarHBondContact O-OG 2.94Å; I145-S148 PolarHBondContact O-N 3.36Å; V146-S148 VanDerWaalsContact C-N 3.31Å; V146-S148 PolarHBondContact O-N 2.83Å; S148-A152 PolarHBondContact O-N 3.27Å
149	V	98.7	Very high	96.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-67	-43.6	177.1	175.7	0	0	0	0	111.6	I145 V146 L147 A152 L153 M171 V179 V181 L227	I145-V149 WeakPolarHBondContact O-CG2 3.49Å; I145-V149 PolarHBondContact O-N 2.89Å; V146-V149 PolarHBondContact O-N 3.44Å; L147-V149 VanDerWaalsContact C-N 3.32Å; L147-V149 PolarHBondContact O-N 3.18Å; V149-A152 WeakPolarHBondContact O-CB 3.06Å; V149-A152 PolarHBondContact O-N 2.93Å; V149-L153 HydrophobicContact CG1-CD1 4.09Å; V149-L153 HydrophobicContact CG1-CG 4.42Å; V149-L153 WeakPolarHBondContact O-CG 3.46Å; V149-L153 PolarHBondContact O-N 2.89Å; V149-M171 HydrophobicContact CG1-CE 3.95Å; V149-M171 HydrophobicContact CG2-CE 4.31Å; V149-M171 HydrophobicContact CG2-CG 3.92Å; V149-M171 HydrophobicContact CG2-SD 3.8Å; V149-V179 HydrophobicContact CG2-CG1 4.27Å; V149-V181 HydrophobicContact CB-CG2 4.27Å; V149-V181 HydrophobicContact CG1-CG2 4.04Å; V149-V181 HydrophobicContact CG2-CG2 4.07Å; V149-L227 HydrophobicContact CB-CD1 4.43Å; V149-L227 HydrophobicContact CG1-CD1 3.76Å
150	V	98.7	Very high	95.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.1	-40.3	178.6	179.6	0	0	0	0	111	V146 L147 A152 L153 E154 L227 F275 L293 L294 L299	V146-V150 HydrophobicContact CG1-CG2 4.16Å; V146-V150 VanDerWaalsContact O-CG2 3.32Å; V146-V150 WeakPolarHBondContact O-CG2 3.24Å; V146-V150 PolarHBondContact O-N 2.99Å; L147-V150 PolarHBondContact O-N 2.86Å; V150-A152 VanDerWaalsContact C-N 3.29Å; V150-A152 PolarHBondContact O-N 3.49Å; V150-L153 PolarHBondContact O-N 2.66Å; V150-E154 WeakPolarHBondContact O-CB 3.31Å; V150-E154 PolarHBondContact O-N 2.84Å; V150-L227 HydrophobicContact CG2-CD2 3.59Å; V150-F275 HydrophobicContact CG2-CZ 4.38Å; V150-L293 HydrophobicContact CG1-CB 3.93Å; V150-L293 HydrophobicContact CG2-CB 4.42Å; V150-L293 HydrophobicContact CG2-CD1 4.47Å; V150-L294 HydrophobicContact CB-CD2 3.98Å; V150-L294 HydrophobicContact CG1-CD1 4.4Å; V150-L294 HydrophobicContact CG1-CD2 3.63Å; V150-L294 HydrophobicContact CG1-CG 3.62Å; V150-L299 HydrophobicContact CB-CD1 4.44Å; V150-L299 HydrophobicContact CG2-CD1 4.05Å
151	E	98.2	Very high	95.3	Very high	45 Å²	45	29.6 Å²	29.6	21%	0.21	14%	0.142	C	C	.	.	H	α-helix	trans	-58.4	-41.7	172.4	-70.7	179.4	152.8	0	0	111.6	R97 S98 L147 Y155 L294	R97-E151 IonicContact NH1-OE2 2.95Å; R97-E151 PolarHBondContact NH1-OE2 2.95Å; S98-E151 PolarHBondContact OG-OE2 2.69Å; L147-E151 HydrophobicContact CD1-CG 4.27Å; L147-E151 HydrophobicContact CG-CG 4.45Å; L147-E151 WeakPolarHBondContact O-CG 3.41Å; L147-E151 PolarHBondContact O-N 3.37Å; E151-Y155 WeakPolarHBondContact O-CB 3.43Å; E151-Y155 PolarHBondContact O-N 3.41Å; E151-L294 HydrophobicContact CG-CD2 4.2Å
152	A	96.9	Very high	94.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-44.7	177	0	0	0	0	0	112	S98 V99 S148 V149 V150 Y155 L156 V181	S98-A152 WeakPolarHBondContact O-CB 3.39Å; V99-A152 HydrophobicContact CG2-CB 3.87Å; S148-A152 PolarHBondContact O-N 3.27Å; V149-A152 WeakPolarHBondContact O-CB 3.06Å; V149-A152 PolarHBondContact O-N 2.93Å; V150-A152 VanDerWaalsContact C-N 3.29Å; V150-A152 PolarHBondContact O-N 3.49Å; A152-Y155 PolarHBondContact O-N 3.3Å; A152-L156 VanDerWaalsContact O-CG 3.3Å; A152-L156 WeakPolarHBondContact O-CG 3.16Å; A152-L156 PolarHBondContact O-N 3.11Å; A152-V181 HydrophobicContact CB-CB 3.9Å; A152-V181 HydrophobicContact CB-CG2 3.63Å
153	L	96.2	Very high	94.2	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-67.9	-39	179.9	-67.1	174.6	0	0	0	112.2	V149 V150 L156 H157 H163 V166 Y290	V149-L153 HydrophobicContact CG1-CD1 4.09Å; V149-L153 HydrophobicContact CG1-CG 4.42Å; V149-L153 WeakPolarHBondContact O-CG 3.46Å; V149-L153 PolarHBondContact O-N 2.89Å; V150-L153 PolarHBondContact O-N 2.66Å; L153-L156 PolarHBondContact O-N 3.38Å; L153-H157 WeakPolarHBondContact O-CB 3.36Å; L153-H157 PolarHBondContact O-N 3.04Å; L153-H163 HydrophobicContact CD2-CB 3.53Å; L153-V166 HydrophobicContact CD1-CG2 4.22Å; L153-V166 HydrophobicContact CD2-CG2 3.75Å; L153-Y290 HydrophobicContact CB-CD1 3.94Å; L153-Y290 HydrophobicContact CB-CD2 4.4Å; L153-Y290 HydrophobicContact CB-CE1 3.61Å; L153-Y290 HydrophobicContact CB-CE2 4.08Å; L153-Y290 HydrophobicContact CB-CG 4.33Å; L153-Y290 HydrophobicContact CD1-CD1 4.45Å; L153-Y290 HydrophobicContact CD1-CE1 3.79Å; L153-Y290 HydrophobicContact CG-CE1 4.29Å
154	E	96.4	Very high	93.7	Very high	25 Å²	25	33.3 Å²	33.3	12%	0.117	16%	0.156	C	C	.	.	H	α-helix	trans	-64.9	-43.4	174	176.8	51.6	-159.4	0	0	111.5	V150 L156 H157 Q158 Y290	V150-E154 WeakPolarHBondContact O-CB 3.31Å; V150-E154 PolarHBondContact O-N 2.84Å; E154-L156 PolarHBondContact O-N 2.65Å; E154-H157 WeakPolarHBondContact O-CB 3.35Å; E154-H157 PolarHBondContact O-N 3.36Å; E154-H157 VanDerWaalsContact O-N 3.14Å; E154-H157 IonicContact OE2-CD2 3.22Å; E154-Q158 WeakPolarHBondContact O-CG 3.4Å; E154-Q158 PolarHBondContact O-N 2.87Å; E154-Q158 PolarHBondContact OE1-NE2 2.83Å; E154-Y290 HydrophobicContact CB-CD2 4.42Å; E154-Y290 HydrophobicContact CB-CG 4.39Å; E154-Y290 WeakPolarHBondContact OE2-CB 3.48Å
155	Y	95.1	Very high	93.1	Very high	41 Å²	41	33.8 Å²	33.8	16%	0.161	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-45.1	174.6	174.5	-102.1	0	0	0	112.1	C94 N95 H96 V99 E151 A152 H157 Q158 L159	C94-Y155 HydrophobicContact CB-CE1 4.07Å; N95-Y155 PolarHBondContact N-OH 3.04Å; H96-Y155 HydrophobicContact CB-CD1 3.59Å; H96-Y155 HydrophobicContact CB-CD2 4.07Å; H96-Y155 HydrophobicContact CB-CE1 3.69Å; H96-Y155 HydrophobicContact CB-CE2 4.17Å; H96-Y155 HydrophobicContact CB-CG 3.76Å; H96-Y155 AromaticContact CD2-CD2 3.92Å; H96-Y155 AromaticContact CD2-CG 3.94Å; H96-Y155 AromaticContact CG-CG 3.77Å; V99-Y155 HydrophobicContact CG2-CD1 3.96Å; E151-Y155 WeakPolarHBondContact O-CB 3.43Å; E151-Y155 PolarHBondContact O-N 3.41Å; A152-Y155 PolarHBondContact O-N 3.3Å; Y155-H157 VanDerWaalsContact C-N 3.29Å; Y155-H157 PolarHBondContact O-N 3.3Å; Y155-Q158 PolarHBondContact O-N 3.28Å; Y155-L159 HydrophobicContact CD1-CD1 4.26Å; Y155-L159 HydrophobicContact CE1-CD1 3.61Å; Y155-L159 HydrophobicContact CE2-CD1 4.41Å; Y155-L159 PolarHBondContact O-N 3.2Å
156	L	91.5	Very high	92.8	Very high	1 Å²	1	34 Å²	34	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-39.3	174.9	-70.7	172.2	0	0	0	111.4	A152 L153 E154 Q158 L159 E160 V161 F184	A152-L156 VanDerWaalsContact O-CG 3.3Å; A152-L156 WeakPolarHBondContact O-CG 3.16Å; A152-L156 PolarHBondContact O-N 3.11Å; L153-L156 PolarHBondContact O-N 3.38Å; E154-L156 PolarHBondContact O-N 2.65Å; L156-Q158 PolarHBondContact O-N 2.82Å; L156-L159 CarbonylContact O-C 3.56Å; L156-L159 WeakPolarHBondContact O-CA 3.45Å; L156-L159 WeakPolarHBondContact O-CB 3.33Å; L156-L159 PolarHBondContact O-N 3.25Å; L156-E160 PolarHBondContact O-N 3.49Å; L156-V161 CarbonylContact C-O 3.23Å; L156-V161 VanDerWaalsContact C-O 3.23Å; L156-V161 HydrophobicContact CB-CB 4.21Å; L156-V161 HydrophobicContact CB-CG1 4.48Å; L156-V161 HydrophobicContact CD2-CB 4.35Å; L156-V161 HydrophobicContact CD2-CG1 4.21Å; L156-V161 WeakPolarHBondContact O-CA 3.44Å; L156-V161 WeakPolarHBondContact O-CB 3.3Å; L156-V161 PolarHBondContact O-N 3.48Å; L156-F184 HydrophobicContact CD1-CB 3.7Å; L156-F184 HydrophobicContact CD1-CD1 4.23Å; L156-F184 HydrophobicContact CD1-CG 3.99Å; L156-F184 HydrophobicContact CD2-CB 4.37Å; L156-F184 HydrophobicContact CD2-CD1 4.22Å; L156-F184 HydrophobicContact CD2-CD2 3.89Å; L156-F184 HydrophobicContact CD2-CE2 4.22Å; L156-F184 HydrophobicContact CD2-CG 3.89Å
157	H	90.9	Very high	92.5	Very high	73 Å²	73	35 Å²	35	34%	0.338	16%	0.164	S	C	.	.	H	α-helix	trans	-62	-41.4	177.2	-179.6	38.5	0	0	0	112.7	L153 E154 Y155 L159 E160 V161 I220 Y290	L153-H157 WeakPolarHBondContact O-CB 3.36Å; L153-H157 PolarHBondContact O-N 3.04Å; E154-H157 WeakPolarHBondContact O-CB 3.35Å; E154-H157 PolarHBondContact O-N 3.36Å; E154-H157 VanDerWaalsContact O-N 3.14Å; E154-H157 IonicContact OE2-CD2 3.22Å; Y155-H157 VanDerWaalsContact C-N 3.29Å; Y155-H157 PolarHBondContact O-N 3.3Å; H157-L159 PolarHBondContact O-N 3.45Å; H157-E160 WeakPolarHBondContact O-CA 3.45Å; H157-E160 PolarHBondContact O-N 2.96Å; H157-V161 PolarHBondContact N-O 3.49Å; H157-I220 WeakPolarHBondContact ND1-CG2 3.42Å; H157-Y290 HydrophobicContact CB-CD2 3.99Å; H157-Y290 HydrophobicContact CB-CE2 3.9Å
158	Q	91.4	Very high	92.4	Very high	130 Å²	130	34.3 Å²	34.3	61%	0.607	16%	0.161	S	C	*	.	H	α-helix	trans	-62.5	-23.5	174.9	-69.1	171.3	5.6	0	0	112.7	E154 Y155 L156 E160	E154-Q158 WeakPolarHBondContact O-CG 3.4Å; E154-Q158 PolarHBondContact O-N 2.87Å; E154-Q158 PolarHBondContact OE1-NE2 2.83Å; Y155-Q158 PolarHBondContact O-N 3.28Å; L156-Q158 PolarHBondContact O-N 2.82Å; Q158-E160 VanDerWaalsContact C-N 3.32Å
159	L	87.4	Confident	92.1	Very high	78 Å²	78	36.3 Å²	36.3	41%	0.408	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	10	171.9	-60.4	179.1	0	0	0	113.3	Y155 L156 H157 V161	Y155-L159 HydrophobicContact CD1-CD1 4.26Å; Y155-L159 HydrophobicContact CE1-CD1 3.61Å; Y155-L159 HydrophobicContact CE2-CD1 4.41Å; Y155-L159 PolarHBondContact O-N 3.2Å; L156-L159 CarbonylContact O-C 3.56Å; L156-L159 WeakPolarHBondContact O-CA 3.45Å; L156-L159 WeakPolarHBondContact O-CB 3.33Å; L156-L159 PolarHBondContact O-N 3.25Å; H157-L159 PolarHBondContact O-N 3.45Å; L159-V161 HydrophobicContact CB-CG2 4.24Å; L159-V161 PolarHBondContact O-N 2.77Å
160	E	85.9	Confident	91.8	Very high	178 Å²	178	36.7 Å²	36.7	83%	0.832	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	29.6	-175.5	-53.2	-176.7	141	0	0	113.4	L156 H157 Q158	L156-E160 PolarHBondContact O-N 3.49Å; H157-E160 WeakPolarHBondContact O-CA 3.45Å; H157-E160 PolarHBondContact O-N 2.96Å; Q158-E160 VanDerWaalsContact C-N 3.32Å
161	V	85	Confident	91.7	Very high	19 Å²	19	36.9 Å²	36.9	12%	0.115	18%	0.178	C	C	.	.			trans	-108	125.4	178	-178.9	0	0	0	0	109.9	V90 L156 H157 L159 F184	V90-V161 HydrophobicContact CG1-CG2 3.8Å; V90-V161 HydrophobicContact CG2-CG2 4.43Å; L156-V161 CarbonylContact C-O 3.23Å; L156-V161 VanDerWaalsContact C-O 3.23Å; L156-V161 HydrophobicContact CB-CB 4.21Å; L156-V161 HydrophobicContact CB-CG1 4.48Å; L156-V161 HydrophobicContact CD2-CB 4.35Å; L156-V161 HydrophobicContact CD2-CG1 4.21Å; L156-V161 WeakPolarHBondContact O-CA 3.44Å; L156-V161 WeakPolarHBondContact O-CB 3.3Å; L156-V161 PolarHBondContact O-N 3.48Å; H157-V161 PolarHBondContact N-O 3.49Å; L159-V161 HydrophobicContact CB-CG2 4.24Å; L159-V161 PolarHBondContact O-N 2.77Å; V161-F184 HydrophobicContact CG1-CD2 4.21Å
162	I	84.9	Confident	91.7	Very high	34 Å²	34	36.4 Å²	36.4	17%	0.174	18%	0.176	C	C	.	.			trans	-94.5	137.4	168.9	-56.3	171.6	0	0	0	106.9	R164 G185 I220 D223	I162-R164 HydrophobicContact CB-CG 4.04Å; I162-R164 HydrophobicContact CG2-CG 3.66Å; I162-G185 WeakPolarHBondContact O-CA 3.46Å; I162-G185 PolarHBondContact O-N 2.73Å; I162-I220 HydrophobicContact CG1-CG2 4.32Å; I162-D223 WeakPolarHBondContact CG2-OD2 3.37Å
163	H	88.8	Confident	91.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.176	C	C	.	.			trans	-71.6	-45.8	-177.2	-172.5	-71.2	0	0	0	112.4	L153 D165 V166 V181 C182 G185 A188 D223	L153-H163 HydrophobicContact CD2-CB 3.53Å; H163-D165 VanDerWaalsContact CE1-C 3.47Å; H163-D165 PolarHBondContact CE1-O 2.86Å; H163-D165 PolarHBondContact ND1-N 3.32Å; H163-D165 PolarHBondContact ND1-O 3.05Å; H163-D165 PolarHBondContact O-N 2.87Å; H163-V166 HydrophobicContact CB-CG2 3.75Å; H163-V166 PolarHBondContact ND1-N 3.28Å; H163-V181 WeakPolarHBondContact CD2-CG1 3.07Å; H163-V181 WeakPolarHBondContact NE2-CG1 3.01Å; H163-C182 PolarHBondContact CE1-O 2.89Å; H163-C182 PolarHBondContact NE2-O 3.08Å; H163-G185 PolarHBondContact O-N 3.39Å; H163-A188 WeakPolarHBondContact O-CB 3.37Å; H163-D223 WeakPolarHBondContact CA-OD2 3.22Å; H163-D223 VanDerWaalsContact CB-OD2 3.31Å; H163-D223 WeakPolarHBondContact CB-OD2 3.07Å; H163-D223 PolarHBondContact N-OD2 3.46Å
164	R	86.9	Confident	91.8	Very high	56 Å²	56	36.4 Å²	36.4	21%	0.211	18%	0.177	C	C	.	.			trans	70	-16.7	175.1	-50.4	-179.8	178.6	-167	4.7	117.2	I162 A188 D189 R209 F218 D223	I162-R164 HydrophobicContact CB-CG 4.04Å; I162-R164 HydrophobicContact CG2-CG 3.66Å; R164-A188 HydrophobicContact CB-CB 3.77Å; R164-D189 VanDerWaalsContact CD-OD1 3.27Å; R164-D189 WeakPolarHBondContact CD-OD1 3.43Å; R164-D189 IonicContact CZ-OD1 2.72Å; R164-D189 IonicContact CZ-OD2 3.75Å; R164-D189 IonicContact NE-OD1 3.98Å; R164-D189 IonicContact NH1-OD1 3.65Å; R164-D189 PolarHBondContact NH1-OD1 3.2Å; R164-D189 IonicContact NH1-OD2 2.83Å; R164-D189 PolarHBondContact NH1-OD2 3.02Å; R164-R209 PolarHBondContact O-NH1 3.24Å; R164-F218 HydrophobicContact CB-CD1 4.23Å; R164-F218 HydrophobicContact CB-CE1 4.27Å; R164-F218 HydrophobicContact CG-CD1 3.81Å; R164-F218 HydrophobicContact CG-CE1 4.25Å; R164-D223 VanDerWaalsContact CA-OD1 3.24Å; R164-D223 WeakPolarHBondContact CA-OD1 3.49Å; R164-D223 PolarHBondContact N-OD1 3.49Å; R164-D223 PolarHBondContact N-OD2 3.33Å
165	D	86.5	Confident	91.7	Very high	10 Å²	10	37 Å²	37	5%	0.053	18%	0.183	C	C	.	.			trans	-133.5	48.9	177.3	-168.7	37.1	0	0	0	112.8	H163 K167 N170 A188	H163-D165 VanDerWaalsContact CE1-C 3.47Å; H163-D165 PolarHBondContact CE1-O 2.86Å; H163-D165 PolarHBondContact ND1-N 3.32Å; H163-D165 PolarHBondContact ND1-O 3.05Å; H163-D165 PolarHBondContact O-N 2.87Å; D165-K167 PolarHBondContact O-N 3.23Å; D165-K167 WeakPolarHBondContact OD1-CE 3.33Å; D165-K167 IonicContact OD1-NZ 3.9Å; D165-K167 PolarHBondContact OD1-NZ 3.33Å; D165-K167 WeakPolarHBondContact OD2-CE 3.37Å; D165-K167 IonicContact OD2-NZ 3.76Å; D165-K167 PolarHBondContact OD2-NZ 2.9Å; D165-N170 PolarHBondContact O-ND2 2.98Å; D165-N170 PolarHBondContact OD2-ND2 3.42Å; D165-A188 HydrophobicContact CB-CB 3.62Å
166	V	93.1	Very high	91.8	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.024	20%	0.2	C	C	.	.			trans	-70.5	116.3	177.6	-179.3	0	0	0	0	109.4	L153 H163 M171 D223 S226 L227	L153-V166 HydrophobicContact CD1-CG2 4.22Å; L153-V166 HydrophobicContact CD2-CG2 3.75Å; H163-V166 HydrophobicContact CB-CG2 3.75Å; H163-V166 PolarHBondContact ND1-N 3.28Å; V166-M171 HydrophobicContact CG1-CE 3.55Å; V166-D223 HydrophobicContact CG2-CB 3.93Å; V166-S226 WeakPolarHBondContact O-CB 3.26Å; V166-L227 HydrophobicContact CG1-CB 4.24Å
167	K	93.5	Very high	92	Very high	23 Å²	23	40.3 Å²	40.3	10%	0.1	20%	0.2	C	C	.	.	S	Bend	trans	-161.8	159.9	177.7	60.7	-171.1	179.5	-147.6	0	110.8	D165 S169 N170 M171 Y204 S230	D165-K167 PolarHBondContact O-N 3.23Å; D165-K167 WeakPolarHBondContact OD1-CE 3.33Å; D165-K167 IonicContact OD1-NZ 3.9Å; D165-K167 PolarHBondContact OD1-NZ 3.33Å; D165-K167 WeakPolarHBondContact OD2-CE 3.37Å; D165-K167 IonicContact OD2-NZ 3.76Å; D165-K167 PolarHBondContact OD2-NZ 2.9Å; K167-S169 WeakPolarHBondContact CE-OG 3.33Å; K167-S169 WeakPolarHBondContact CG-OG 3.24Å; K167-S169 PolarHBondContact O-N 3.14Å; K167-S169 VanDerWaalsContact O-N 3.07Å; K167-N170 HydrophobicContact CG-CB 4.38Å; K167-N170 PolarHBondContact O-N 3.06Å; K167-M171 PolarHBondContact O-N 3.46Å; K167-Y204 HydrophobicContact CB-CD1 4.17Å; K167-Y204 HydrophobicContact CB-CD2 3.64Å; K167-Y204 HydrophobicContact CB-CE1 4.05Å; K167-Y204 HydrophobicContact CB-CE2 3.53Å; K167-Y204 HydrophobicContact CB-CG 3.97Å; K167-Y204 HydrophobicContact CD-CD2 4.14Å; K167-Y204 HydrophobicContact CD-CE2 4.06Å; K167-Y204 HydrophobicContact CG-CE2 4.41Å; K167-S230 WeakPolarHBondContact CA-OG 3.45Å
168	P	95.9	Very high	92.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-57.3	-26.2	-177.4	-27.3	36.6	0	0	0	115.1	L123 D124 N170 M171 Y204 L234	L123-P168 HydrophobicContact CB-CB 4.13Å; L123-P168 WeakPolarHBondContact CB-O 3.19Å; L123-P168 PolarHBondContact N-O 3.44Å; L123-P168 VanDerWaalsContact N-O 3.12Å; D124-P168 HydrophobicContact CB-CB 4.03Å; D124-P168 PolarHBondContact N-O 2.86Å; P168-N170 VanDerWaalsContact C-N 3.29Å; P168-N170 PolarHBondContact O-N 3.42Å; P168-M171 PolarHBondContact O-N 2.98Å; P168-Y204 WeakPolarHBondContact CD-OH 3.44Å; P168-L234 HydrophobicContact CB-CD2 4.45Å
169	S	92.2	Very high	92.7	Very high	43 Å²	43	34.9 Å²	34.9	30%	0.301	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-72.6	-20.8	176.9	67	0	0	0	0	114	D124 K167	D124-S169 WeakPolarHBondContact OD1-CA 3.3Å; K167-S169 WeakPolarHBondContact CE-OG 3.33Å; K167-S169 WeakPolarHBondContact CG-OG 3.24Å; K167-S169 PolarHBondContact O-N 3.14Å; K167-S169 VanDerWaalsContact O-N 3.07Å
170	N	93	Very high	93.3	Very high	9 Å²	9	31.9 Å²	31.9	5%	0.048	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-100	6.5	177.6	-65.3	-2.8	0	0	0	112	D165 K167 P168 V181 C182	D165-N170 PolarHBondContact O-ND2 2.98Å; D165-N170 PolarHBondContact OD2-ND2 3.42Å; K167-N170 HydrophobicContact CG-CB 4.38Å; K167-N170 PolarHBondContact O-N 3.06Å; P168-N170 VanDerWaalsContact C-N 3.29Å; P168-N170 PolarHBondContact O-N 3.42Å; N170-V181 WeakPolarHBondContact O-CA 3.45Å; N170-C182 PolarHBondContact O-N 3.45Å
171	M	97.2	Very high	93.7	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.02	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	111.3	171.4	-58.6	170.7	-169.7	0	0	106.7	S122 L123 V149 V166 K167 P168 L227	S122-M171 CarbonylContact C-O 3.46Å; S122-M171 WeakPolarHBondContact CA-O 3.45Å; L123-M171 HydrophobicContact CB-CB 4.17Å; L123-M171 HydrophobicContact CD1-CB 3.48Å; L123-M171 VanDerWaalsContact CD1-CB 3.48Å; L123-M171 HydrophobicContact CD1-CG 4.3Å; L123-M171 HydrophobicContact CD1-SD 3.91Å; L123-M171 HydrophobicContact CG-CB 3.73Å; L123-M171 WeakPolarHBondContact CG-O 3.24Å; L123-M171 PolarHBondContact N-O 2.89Å; V149-M171 HydrophobicContact CG1-CE 3.95Å; V149-M171 HydrophobicContact CG2-CE 4.31Å; V149-M171 HydrophobicContact CG2-CG 3.92Å; V149-M171 HydrophobicContact CG2-SD 3.8Å; V166-M171 HydrophobicContact CG1-CE 3.55Å; K167-M171 PolarHBondContact O-N 3.46Å; P168-M171 PolarHBondContact O-N 2.98Å; M171-L227 HydrophobicContact CE-CD1 4.48Å
172	L	97.5	Very high	94	Very high	34 Å²	34	23.2 Å²	23.2	18%	0.178	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	151.7	-175.1	-53.6	-171.7	0	0	0	110.8	V100 M119 T121 V179 K180 C182	V100-L172 HydrophobicContact CG2-CD1 4.11Å; M119-L172 HydrophobicContact CB-CB 3.64Å; M119-L172 HydrophobicContact CB-CD1 3.97Å; M119-L172 HydrophobicContact CB-CG 4.42Å; M119-L172 HydrophobicContact CE-CB 4.34Å; M119-L172 HydrophobicContact CG-CB 3.66Å; M119-L172 HydrophobicContact CG-CD1 3.83Å; M119-L172 HydrophobicContact CG-CG 4.41Å; T121-L172 CarbonylContact O-C 3.57Å; T121-L172 WeakPolarHBondContact O-CA 3.34Å; L172-V179 CarbonylContact O-C 3.55Å; L172-V179 WeakPolarHBondContact O-CA 3.2Å; L172-K180 PolarHBondContact N-O 3.26Å; L172-K180 PolarHBondContact O-N 2.87Å; L172-C182 HydrophobicContact CD1-CB 4.2Å
173	A	98	Very high	93.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.2	179.3	0	0	0	0	0	111.3	D120 T121 L123 R178 F311 L315	D120-A173 PolarHBondContact N-O 2.97Å; T121-A173 HydrophobicContact CG2-CB 4.14Å; T121-A173 PolarHBondContact N-O 3.11Å; T121-A173 PolarHBondContact O-N 3.36Å; L123-A173 HydrophobicContact CD2-CB 4.32Å; A173-R178 VanDerWaalsContact CA-O 3.26Å; A173-R178 WeakPolarHBondContact CA-O 3.49Å; A173-F311 HydrophobicContact CB-CE1 3.67Å; A173-F311 HydrophobicContact CB-CZ 3.76Å; A173-L315 HydrophobicContact CB-CD2 4.1Å
174	D	96.1	Very high	93.2	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.011	12%	0.117	C	C	.	.			trans	-124.1	167.9	173.5	67.5	33.9	0	0	0	113.4	M119 D120 H176 G177 R178 L315	M119-D174 HydrophobicContact CE-CB 3.92Å; M119-D174 HydrophobicContact SD-CB 4.42Å; D120-D174 VanDerWaalsContact OD2-C 3.29Å; D120-D174 WeakPolarHBondContact OD2-CA 3.33Å; D120-D174 WeakPolarHBondContact OD2-CB 3.13Å; D174-H176 PolarHBondContact O-N 3.21Å; D174-H176 WeakPolarHBondContact OD1-CA 3.17Å; D174-H176 WeakPolarHBondContact OD1-CB 3.12Å; D174-H176 PolarHBondContact OD1-N 2.9Å; D174-G177 WeakPolarHBondContact O-CA 3.41Å; D174-G177 PolarHBondContact O-N 3.06Å; D174-G177 PolarHBondContact OD1-N 3.22Å; D174-R178 PolarHBondContact N-O 3.41Å; D174-R178 WeakPolarHBondContact OD1-CB 3.24Å; D174-R178 PolarHBondContact OD1-N 2.93Å; D174-R178 IonicContact OD1-NE 2.65Å; D174-R178 PolarHBondContact OD1-NE 2.91Å; D174-R178 IonicContact OD2-CZ 2.89Å; D174-R178 IonicContact OD2-NE 3.3Å; D174-R178 PolarHBondContact OD2-NE 3.44Å; D174-R178 IonicContact OD2-NH2 3.23Å; D174-R178 PolarHBondContact OD2-NH2 3.35Å; D174-L315 WeakPolarHBondContact O-CD2 3.49Å
175	C	95.2	Very high	92.2	Very high	37 Å²	37	21.3 Å²	21.3	25%	0.25	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-9.4	-175.7	67	0	0	0	0	113.6	D120 G177 R312 L319	D120-C175 PolarHBondContact OD2-N 3.35Å; C175-G177 VanDerWaalsContact C-N 3.31Å; C175-R312 VanDerWaalsContact O-CG 3.31Å; C175-R312 WeakPolarHBondContact O-CG 3.37Å; C175-L319 HydrophobicContact CB-CD1 3.76Å
176	H	96.3	Very high	91	Very high	112 Å²	112	21.4 Å²	21.4	52%	0.519	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	5.8	170.4	-57	-58	0	0	0	112.7	D174 R178 Q308	D174-H176 PolarHBondContact O-N 3.21Å; D174-H176 WeakPolarHBondContact OD1-CA 3.17Å; D174-H176 WeakPolarHBondContact OD1-CB 3.12Å; D174-H176 PolarHBondContact OD1-N 2.9Å; H176-R178 VanDerWaalsContact C-N 3.3Å; H176-R178 PolarHBondContact O-N 3.47Å; H176-Q308 PolarHBondContact O-NE2 2.99Å
177	G	97.6	Very high	89.6	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.			trans	75.5	13.6	179.8	0	0	0	0	0	113.5	Y144 D174 C175 F311	Y144-G177 VanDerWaalsContact CE1-O 3.23Å; Y144-G177 WeakPolarHBondContact CE1-O 3.27Å; Y144-G177 PolarHBondContact OH-O 3.22Å; Y144-G177 VanDerWaalsContact OH-O 3.12Å; D174-G177 WeakPolarHBondContact O-CA 3.41Å; D174-G177 PolarHBondContact O-N 3.06Å; D174-G177 PolarHBondContact OD1-N 3.22Å; C175-G177 VanDerWaalsContact C-N 3.31Å; G177-F311 WeakPolarHBondContact O-CD1 3.19Å
178	R	98.3	Very high	88.1	Confident	87 Å²	87	20.3 Å²	20.3	33%	0.328	11%	0.105	S	C	.	.			trans	-77.3	135.8	177.2	-60.1	176	-67.8	-174	5.8	108.9	A173 D174 H176	A173-R178 VanDerWaalsContact CA-O 3.26Å; A173-R178 WeakPolarHBondContact CA-O 3.49Å; D174-R178 PolarHBondContact N-O 3.41Å; D174-R178 WeakPolarHBondContact OD1-CB 3.24Å; D174-R178 PolarHBondContact OD1-N 2.93Å; D174-R178 IonicContact OD1-NE 2.65Å; D174-R178 PolarHBondContact OD1-NE 2.91Å; D174-R178 IonicContact OD2-CZ 2.89Å; D174-R178 IonicContact OD2-NE 3.3Å; D174-R178 PolarHBondContact OD2-NE 3.44Å; D174-R178 IonicContact OD2-NH2 3.23Å; D174-R178 PolarHBondContact OD2-NH2 3.35Å; H176-R178 VanDerWaalsContact C-N 3.3Å; H176-R178 PolarHBondContact O-N 3.47Å
179	V	98.8	Very high	86.6	Confident	2 Å²	2	22 Å²	22	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.5	172.3	175.8	0	0	0	0	108.3	Y144 I145 V149 L172 F311	Y144-V179 HydrophobicContact CD1-CG2 4.33Å; Y144-V179 HydrophobicContact CE1-CB 4.45Å; Y144-V179 HydrophobicContact CE1-CG2 3.84Å; I145-V179 HydrophobicContact CG1-CG2 4.01Å; I145-V179 HydrophobicContact CG2-CG1 4.49Å; V149-V179 HydrophobicContact CG2-CG1 4.27Å; L172-V179 CarbonylContact O-C 3.55Å; L172-V179 WeakPolarHBondContact O-CA 3.2Å; V179-F311 HydrophobicContact CG2-CD1 3.62Å; V179-F311 HydrophobicContact CG2-CE1 3.29Å; V179-F311 HydrophobicContact CG2-CZ 4.13Å
180	K	98.2	Very high	85.1	Confident	14 Å²	14	20.1 Å²	20.1	6%	0.061	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.1	-177.3	-59.6	-167.6	176	-161.6	0	112.1	R97 S98 V100 E117 M119 L172	R97-K180 WeakPolarHBondContact O-CE 3.41Å; S98-K180 CarbonylContact O-C 3.59Å; S98-K180 VanDerWaalsContact O-CA 3.27Å; S98-K180 WeakPolarHBondContact O-CA 3.29Å; V100-K180 HydrophobicContact CG2-CB 3.62Å; V100-K180 HydrophobicContact CG2-CD 4.45Å; E117-K180 WeakPolarHBondContact OE1-CD 3.5Å; E117-K180 WeakPolarHBondContact OE1-CE 3.02Å; E117-K180 IonicContact OE1-NZ 2.88Å; E117-K180 PolarHBondContact OE1-NZ 3.32Å; E117-K180 IonicContact OE2-NZ 3.56Å; E117-K180 PolarHBondContact OE2-NZ 3.33Å; M119-K180 HydrophobicContact CE-CB 4.08Å; M119-K180 HydrophobicContact CE-CD 4.15Å; M119-K180 HydrophobicContact CE-CG 3.93Å; M119-K180 HydrophobicContact SD-CD 4.04Å; M119-K180 HydrophobicContact SD-CG 4.45Å; L172-K180 PolarHBondContact N-O 3.26Å; L172-K180 PolarHBondContact O-N 2.87Å
181	V	95.8	Very high	83.6	Confident	4 Å²	4	21.2 Å²	21.2	2%	0.024	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.8	176.6	179.2	0	0	0	0	110.1	S98 V100 V149 A152 H163 N170	S98-V181 PolarHBondContact O-N 2.97Å; V100-V181 PolarHBondContact N-O 2.88Å; V149-V181 HydrophobicContact CB-CG2 4.27Å; V149-V181 HydrophobicContact CG1-CG2 4.04Å; V149-V181 HydrophobicContact CG2-CG2 4.07Å; A152-V181 HydrophobicContact CB-CB 3.9Å; A152-V181 HydrophobicContact CB-CG2 3.63Å; H163-V181 WeakPolarHBondContact CD2-CG1 3.07Å; H163-V181 WeakPolarHBondContact NE2-CG1 3.01Å; N170-V181 WeakPolarHBondContact O-CA 3.45Å
182	C	91.1	Very high	81.8	Confident	11 Å²	11	22.4 Å²	22.4	7%	0.074	11%	0.111	C	C	.	.			trans	-126	174.6	176	68.4	0	0	0	0	111.9	V100 H163 N170 L172	V100-C182 HydrophobicContact CB-CB 3.96Å; V100-C182 HydrophobicContact CG1-CB 4.47Å; V100-C182 HydrophobicContact CG2-CB 3.8Å; H163-C182 PolarHBondContact CE1-O 2.89Å; H163-C182 PolarHBondContact NE2-O 3.08Å; N170-C182 PolarHBondContact O-N 3.45Å; L172-C182 HydrophobicContact CD1-CB 4.2Å
183	D	80.8	Confident	79.9	Confident	29 Å²	29	24.4 Å²	24.4	16%	0.155	13%	0.129	C	C	.	.	S	Bend	trans	60	46.1	172.8	-67.7	-15.2	0	0	0	115.2	K70	K70-D183 VanDerWaalsContact NZ-CG 3.26Å; K70-D183 IonicContact NZ-OD1 3.86Å; K70-D183 PolarHBondContact NZ-OD1 3.37Å; K70-D183 IonicContact NZ-OD2 3.62Å; K70-D183 PolarHBondContact NZ-OD2 3.37Å
184	F	75.3	Confident	77.6	Confident	18 Å²	18	26.3 Å²	26.3	8%	0.079	14%	0.138	C	C	.	.			trans	-87.6	147.3	-177.7	44.9	-94.3	0	0	0	114.6	V90 V99 L156 V161 I186	V90-F184 HydrophobicContact CB-CE2 4.41Å; V90-F184 HydrophobicContact CG1-CD2 4.26Å; V90-F184 HydrophobicContact CG1-CE2 3.69Å; V99-F184 HydrophobicContact CG1-CD1 4.29Å; V99-F184 HydrophobicContact CG1-CE1 3.59Å; V99-F184 HydrophobicContact CG1-CZ 4.2Å; L156-F184 HydrophobicContact CD1-CB 3.7Å; L156-F184 HydrophobicContact CD1-CD1 4.23Å; L156-F184 HydrophobicContact CD1-CG 3.99Å; L156-F184 HydrophobicContact CD2-CB 4.37Å; L156-F184 HydrophobicContact CD2-CD1 4.22Å; L156-F184 HydrophobicContact CD2-CD2 3.89Å; L156-F184 HydrophobicContact CD2-CE2 4.22Å; L156-F184 HydrophobicContact CD2-CG 3.89Å; V161-F184 HydrophobicContact CG1-CD2 4.21Å; F184-I186 VanDerWaalsContact C-N 3.31Å; F184-I186 PolarHBondContact O-N 3.41Å
185	G	65.8	Low	75.5	Confident	5 Å²	5	26.9 Å²	26.9	5%	0.052	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	-74.9	164.1	0	0	0	0	0	114.8	I162 H163 D189	I162-G185 WeakPolarHBondContact O-CA 3.46Å; I162-G185 PolarHBondContact O-N 2.73Å; H163-G185 PolarHBondContact O-N 3.39Å; G185-D189 PolarHBondContact O-N 3.43Å
186	I	62.1	Low	73.2	Confident	11 Å²	11	30.9 Å²	30.9	6%	0.056	16%	0.162	C	C	.	.	H	α-helix	trans	-94.7	-35.6	-169.3	-58.7	151.7	0	0	0	110.9	L83 R86 E87 V90 F184 A188 D189 L190	L83-I186 VanDerWaalsContact C-CG2 3.46Å; L83-I186 VanDerWaalsContact CA-CG2 3.5Å; L83-I186 HydrophobicContact CB-CG2 3.43Å; L83-I186 VanDerWaalsContact CB-CG2 3.43Å; L83-I186 HydrophobicContact CD2-CG2 3.89Å; L83-I186 HydrophobicContact CG-CG2 4.18Å; L83-I186 WeakPolarHBondContact O-CG2 3.34Å; R86-I186 VanDerWaalsContact C-CD1 3.41Å; R86-I186 HydrophobicContact CB-CD1 3.62Å; R86-I186 VanDerWaalsContact CD-CD1 3.46Å; R86-I186 HydrophobicContact CG-CD1 3.35Å; R86-I186 HydrophobicContact CG-CG1 4.45Å; E87-I186 HydrophobicContact CB-CB 4.09Å; E87-I186 HydrophobicContact CB-CD1 4.42Å; E87-I186 HydrophobicContact CB-CG2 4.16Å; V90-I186 HydrophobicContact CG2-CD1 4.37Å; F184-I186 VanDerWaalsContact C-N 3.31Å; F184-I186 PolarHBondContact O-N 3.41Å; I186-A188 PolarHBondContact O-N 3.21Å; I186-D189 PolarHBondContact O-N 3Å; I186-L190 VanDerWaalsContact O-CB 3.26Å; I186-L190 WeakPolarHBondContact O-CB 3.44Å; I186-L190 PolarHBondContact O-N 3.46Å
187	S	62.4	Low	70.9	Confident	4 Å²	4	30.5 Å²	30.5	3%	0.028	17%	0.167	C	C	.	.	H	α-helix	trans	-56.5	-40	168.1	-33.6	0	0	0	0	109.8	E87 L190 E191	E87-S187 PolarHBondContact OE1-OG 2.82Å; S187-L190 WeakPolarHBondContact O-CB 3.42Å; S187-E191 WeakPolarHBondContact O-CB 3.14Å; S187-E191 WeakPolarHBondContact O-CG 3.3Å; S187-E191 PolarHBondContact O-N 2.78Å
188	A	63.3	Low	68.3	Low	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.6	-39.9	176.1	0	0	0	0	0	113.4	H163 R164 D165 I186 E191 N192	H163-A188 WeakPolarHBondContact O-CB 3.37Å; R164-A188 HydrophobicContact CB-CB 3.77Å; D165-A188 HydrophobicContact CB-CB 3.62Å; I186-A188 PolarHBondContact O-N 3.21Å; A188-E191 PolarHBondContact O-N 3.09Å; A188-N192 VanDerWaalsContact O-CB 3.26Å; A188-N192 WeakPolarHBondContact O-CB 3.27Å; A188-N192 PolarHBondContact O-N 2.85Å; A188-N192 PolarHBondContact O-ND2 3.13Å
189	D	63.8	Low	65.9	Low	36 Å²	36	36.5 Å²	36.5	19%	0.193	20%	0.204	C	C	.	.	H	α-helix	trans	-67.2	-39.8	174.9	-79.3	-10.5	0	0	0	112.1	R164 G185 I186 N192 S193	R164-D189 VanDerWaalsContact CD-OD1 3.27Å; R164-D189 WeakPolarHBondContact CD-OD1 3.43Å; R164-D189 IonicContact CZ-OD1 2.72Å; R164-D189 IonicContact CZ-OD2 3.75Å; R164-D189 IonicContact NE-OD1 3.98Å; R164-D189 IonicContact NH1-OD1 3.65Å; R164-D189 PolarHBondContact NH1-OD1 3.2Å; R164-D189 IonicContact NH1-OD2 2.83Å; R164-D189 PolarHBondContact NH1-OD2 3.02Å; G185-D189 PolarHBondContact O-N 3.43Å; I186-D189 PolarHBondContact O-N 3Å; D189-N192 PolarHBondContact O-N 3.24Å; D189-S193 VanDerWaalsContact O-CB 3.24Å; D189-S193 WeakPolarHBondContact O-CB 3.35Å; D189-S193 PolarHBondContact O-N 3.38Å
190	L	60.6	Low	63.7	Low	4 Å²	4	38 Å²	38	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-55.6	-57.7	170.5	-175.8	59.1	0	0	0	107.8	Y52 S80 I84 I186 S187 N192 S193	Y52-L190 HydrophobicContact CD1-CD1 3.69Å; Y52-L190 HydrophobicContact CD1-CD2 3.79Å; Y52-L190 HydrophobicContact CD1-CG 3.54Å; Y52-L190 HydrophobicContact CD2-CD2 4.48Å; Y52-L190 HydrophobicContact CD2-CG 3.94Å; Y52-L190 HydrophobicContact CE1-CD1 3.2Å; Y52-L190 HydrophobicContact CE1-CD2 4.17Å; Y52-L190 HydrophobicContact CE1-CG 3.44Å; Y52-L190 VanDerWaalsContact CE1-CG 3.44Å; Y52-L190 HydrophobicContact CE2-CD1 4.38Å; Y52-L190 HydrophobicContact CE2-CG 3.89Å; Y52-L190 WeakPolarHBondContact CE2-O 3.32Å; Y52-L190 HydrophobicContact CG-CD1 4.41Å; Y52-L190 HydrophobicContact CG-CD2 3.93Å; Y52-L190 HydrophobicContact CG-CG 3.77Å; Y52-L190 PolarHBondContact OH-O 2.63Å; S80-L190 WeakPolarHBondContact OG-CD1 3.5Å; I84-L190 HydrophobicContact CG1-CD2 4.41Å; I186-L190 VanDerWaalsContact O-CB 3.26Å; I186-L190 WeakPolarHBondContact O-CB 3.44Å; I186-L190 PolarHBondContact O-N 3.46Å; S187-L190 WeakPolarHBondContact O-CB 3.42Å; L190-N192 PolarHBondContact O-N 2.93Å; L190-S193 PolarHBondContact O-N 2.88Å
191	E	62.1	Low	61.6	Low	32 Å²	32	39.8 Å²	39.8	15%	0.15	23%	0.233	C	C	.	.	H	α-helix	trans	-51.8	-49.4	176.1	-75.1	-171.1	-169.9	0	0	114.3	Y52 S187 A188 A195	Y52-E191 HydrophobicContact CD2-CG 3.89Å; Y52-E191 VanDerWaalsContact CE2-CA 3.47Å; Y52-E191 HydrophobicContact CE2-CB 4.49Å; Y52-E191 HydrophobicContact CE2-CG 4.2Å; S187-E191 WeakPolarHBondContact O-CB 3.14Å; S187-E191 WeakPolarHBondContact O-CG 3.3Å; S187-E191 PolarHBondContact O-N 2.78Å; A188-E191 PolarHBondContact O-N 3.09Å; E191-A195 WeakPolarHBondContact O-CB 3.43Å; E191-A195 PolarHBondContact O-N 3.44Å
192	N	58.4	Low	60.5	Low	28 Å²	28	42.6 Å²	42.6	15%	0.15	24%	0.243	C	C	.	.	H	α-helix	trans	-70.1	-38.3	-176.1	-73.8	-45.5	0	0	0	113.5	A188 D189 L190 I194 A195 L196 R209	A188-N192 VanDerWaalsContact O-CB 3.26Å; A188-N192 WeakPolarHBondContact O-CB 3.27Å; A188-N192 PolarHBondContact O-N 2.85Å; A188-N192 PolarHBondContact O-ND2 3.13Å; D189-N192 PolarHBondContact O-N 3.24Å; L190-N192 PolarHBondContact O-N 2.93Å; N192-I194 PolarHBondContact O-N 3.32Å; N192-I194 VanDerWaalsContact O-N 3.13Å; N192-A195 PolarHBondContact O-N 2.8Å; N192-L196 VanDerWaalsContact O-CG 3.27Å; N192-L196 WeakPolarHBondContact O-CG 3.41Å; N192-L196 PolarHBondContact O-N 3.33Å; N192-R209 PolarHBondContact ND2-NH2 2.79Å
193	S	57.3	Low	60	Low	77 Å²	77	42.8 Å²	42.8	54%	0.538	25%	0.245	S	C	.	.	H	α-helix	trans	-55.4	-34.7	-178	-178.1	0	0	0	0	112.5	D189 L190	D189-S193 VanDerWaalsContact O-CB 3.24Å; D189-S193 WeakPolarHBondContact O-CB 3.35Å; D189-S193 PolarHBondContact O-N 3.38Å; L190-S193 PolarHBondContact O-N 2.88Å
194	I	51.3	Low	60.5	Low	40 Å²	40	43.2 Å²	43.2	21%	0.205	25%	0.245	C	C	.	.	H	α-helix	trans	-99.7	-32.1	174.4	-57.9	177.9	0	0	0	112.6	Y51 Y52 N77 N192 L196 T197	Y51-I194 HydrophobicContact CD1-CB 4.3Å; Y51-I194 HydrophobicContact CD1-CG2 4.24Å; Y51-I194 HydrophobicContact CE1-CB 3.75Å; Y51-I194 HydrophobicContact CE1-CD1 3.89Å; Y51-I194 HydrophobicContact CE1-CG1 4.43Å; Y51-I194 HydrophobicContact CE1-CG2 3.28Å; Y51-I194 HydrophobicContact CE2-CG2 4.41Å; Y51-I194 WeakPolarHBondContact OH-CG2 3.13Å; Y52-I194 HydrophobicContact CE1-CD1 3.97Å; Y52-I194 WeakPolarHBondContact OH-CB 3.41Å; Y52-I194 WeakPolarHBondContact OH-CD1 3.15Å; Y52-I194 WeakPolarHBondContact OH-CG1 3.42Å; N77-I194 WeakPolarHBondContact ND2-CD1 3.31Å; N192-I194 PolarHBondContact O-N 3.32Å; N192-I194 VanDerWaalsContact O-N 3.13Å; I194-L196 PolarHBondContact O-N 3.26Å; I194-L196 VanDerWaalsContact O-N 3.09Å; I194-T197 WeakPolarHBondContact O-CA 3.33Å; I194-T197 WeakPolarHBondContact O-CB 3.23Å; I194-T197 PolarHBondContact O-N 3.38Å; I194-T197 PolarHBondContact O-OG1 2.86Å
195	A	51.8	Low	61.1	Low	14 Å²	14	43.5 Å²	43.5	12%	0.116	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-16.7	171.6	0	0	0	0	0	112.7	E191 N192 T197 N198	E191-A195 WeakPolarHBondContact O-CB 3.43Å; E191-A195 PolarHBondContact O-N 3.44Å; N192-A195 PolarHBondContact O-N 2.8Å; A195-T197 PolarHBondContact O-N 3.3Å; A195-N198 CarbonylContact O-C 3.32Å; A195-N198 VanDerWaalsContact O-C 3.32Å; A195-N198 PolarHBondContact O-N 3.22Å
196	L	46.6	Very low	62.2	Low	121 Å²	121	43.3 Å²	43.3	63%	0.634	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.5	165	-79.1	167.8	0	0	0	112.7	N192 I194	N192-L196 VanDerWaalsContact O-CG 3.27Å; N192-L196 WeakPolarHBondContact O-CG 3.41Å; N192-L196 PolarHBondContact O-N 3.33Å; I194-L196 PolarHBondContact O-N 3.26Å; I194-L196 VanDerWaalsContact O-N 3.09Å
197	T	46.9	Very low	63.6	Low	103 Å²	103	43.1 Å²	43.1	63%	0.632	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-17	171.2	64	0	0	0	0	114.2	I194 A195	I194-T197 WeakPolarHBondContact O-CA 3.33Å; I194-T197 WeakPolarHBondContact O-CB 3.23Å; I194-T197 PolarHBondContact O-N 3.38Å; I194-T197 PolarHBondContact O-OG1 2.86Å; A195-T197 PolarHBondContact O-N 3.3Å
198	N	44.8	Very low	64.8	Low	90 Å²	90	44 Å²	44	48%	0.481	25%	0.249	S	C	.	.	S	Bend	trans	-128.5	123	-177	-86.8	-33.1	0	0	0	114.3	A195 G200	A195-N198 CarbonylContact O-C 3.32Å; A195-N198 VanDerWaalsContact O-C 3.32Å; A195-N198 PolarHBondContact O-N 3.22Å; N198-G200 PolarHBondContact O-N 2.83Å
199	I	47.9	Very low	65.5	Low	123 Å²	123	45.4 Å²	45.4	63%	0.631	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	7.8	-166.2	-73.9	168.2	0	0	0	116.1	V247	I199-V247 HydrophobicContact CB-CG2 4.04Å; I199-V247 HydrophobicContact CG2-CB 3.9Å; I199-V247 HydrophobicContact CG2-CG2 3.16Å; I199-V247 WeakPolarHBondContact O-CG2 3.36Å
200	G	50.6	Low	66.2	Low	35 Å²	35	45.6 Å²	45.6	36%	0.361	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-31.1	-168.7	0	0	0	0	0	118.4	N198 R202	N198-G200 PolarHBondContact O-N 2.83Å; G200-R202 PolarHBondContact O-N 3.18Å
201	T	55.8	Low	66.7	Low	51 Å²	51	50.7 Å²	50.7	31%	0.313	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	19.1	-159.9	-43	0	0	0	0	114.7
202	R	71.7	Confident	66.7	Low	62 Å²	62	52.1 Å²	52.1	23%	0.234	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	2.8	-171.6	-58.8	-174.3	-173.2	164.6	2.8	115	G200 Y204 L205 Q250	G200-R202 PolarHBondContact O-N 3.18Å; R202-Y204 PolarHBondContact O-N 3.21Å; R202-Y204 VanDerWaalsContact O-N 3.11Å; R202-L205 HydrophobicContact CB-CB 4.32Å; R202-L205 HydrophobicContact CB-CD2 4.35Å; R202-L205 HydrophobicContact CG-CD2 4.19Å; R202-L205 VanDerWaalsContact O-CB 3.32Å; R202-L205 WeakPolarHBondContact O-CB 3.35Å; R202-L205 PolarHBondContact O-N 2.79Å; R202-Q250 VanDerWaalsContact C-NE2 3.33Å; R202-Q250 PolarHBondContact O-NE2 3.13Å
203	A	81.7	Confident	66.4	Low	15 Å²	15	63 Å²	63	12%	0.124	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-34.1	-179.1	0	0	0	0	0	114.5	L229 Y241	A203-L229 WeakPolarHBondContact O-CD1 3.32Å; A203-Y241 WeakPolarHBondContact O-CD2 3.41Å
204	Y	89.7	Confident	66.2	Low	39 Å²	39	65.3 Å²	65.3	15%	0.153	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	5.8	-176.3	-53.5	-87.4	0	0	0	112.9	K167 P168 R202 A206 S226 L229 E233	K167-Y204 HydrophobicContact CB-CD1 4.17Å; K167-Y204 HydrophobicContact CB-CD2 3.64Å; K167-Y204 HydrophobicContact CB-CE1 4.05Å; K167-Y204 HydrophobicContact CB-CE2 3.53Å; K167-Y204 HydrophobicContact CB-CG 3.97Å; K167-Y204 HydrophobicContact CD-CD2 4.14Å; K167-Y204 HydrophobicContact CD-CE2 4.06Å; K167-Y204 HydrophobicContact CG-CE2 4.41Å; P168-Y204 WeakPolarHBondContact CD-OH 3.44Å; R202-Y204 PolarHBondContact O-N 3.21Å; R202-Y204 VanDerWaalsContact O-N 3.11Å; Y204-A206 PolarHBondContact O-N 2.65Å; Y204-S226 PolarHBondContact O-OG 3.07Å; Y204-L229 HydrophobicContact CD1-CB 4Å; Y204-E233 PolarHBondContact OH-OE2 3.33Å
205	L	88.1	Confident	66.2	Low	24 Å²	24	69.9 Å²	69.9	13%	0.126	36%	0.359	C	S	.	.			trans	-70.4	128.5	-170.7	-166.1	64.4	0	0	0	111.2	R202 R209 I210 W225 V254	R202-L205 HydrophobicContact CB-CB 4.32Å; R202-L205 HydrophobicContact CB-CD2 4.35Å; R202-L205 HydrophobicContact CG-CD2 4.19Å; R202-L205 VanDerWaalsContact O-CB 3.32Å; R202-L205 WeakPolarHBondContact O-CB 3.35Å; R202-L205 PolarHBondContact O-N 2.79Å; L205-R209 HydrophobicContact CD1-CB 3.56Å; L205-R209 HydrophobicContact CD1-CG 4.28Å; L205-R209 VanDerWaalsContact CD1-NE 3.29Å; L205-R209 HydrophobicContact CD2-CB 4.48Å; L205-R209 HydrophobicContact CG-CB 3.87Å; L205-I210 HydrophobicContact CD2-CG1 3.66Å; L205-I210 HydrophobicContact CG-CG1 4.03Å; L205-W225 PolarHBondContact O-NE1 2.85Å; L205-V254 WeakPolarHBondContact O-CG1 3.21Å
206	A	90.3	Very high	66.1	Low	0 Å²	0	76.5 Å²	76.5	0%	0	39%	0.387	C	S	.	.			trans	-69.9	149.3	177.7	0	0	0	0	0	112.4	Y204 E208 R209 I210 W225	Y204-A206 PolarHBondContact O-N 2.65Å; A206-E208 VanDerWaalsContact C-N 3.3Å; A206-E208 VanDerWaalsContact CB-CD 3.49Å; A206-E208 VanDerWaalsContact CB-OE1 3.25Å; A206-E208 WeakPolarHBondContact CB-OE1 3.46Å; A206-E208 WeakPolarHBondContact CB-OE2 3.07Å; A206-E208 PolarHBondContact O-N 3.08Å; A206-R209 HydrophobicContact CB-CG 4.49Å; A206-R209 WeakPolarHBondContact O-CB 3.43Å; A206-R209 PolarHBondContact O-N 3.27Å; A206-I210 PolarHBondContact O-N 3.5Å; A206-W225 VanDerWaalsContact CA-CD1 3.45Å; A206-W225 HydrophobicContact CB-CB 3.79Å; A206-W225 HydrophobicContact CB-CD2 4.4Å; A206-W225 HydrophobicContact CB-CG 3.72Å
207	P	89.9	Confident	66.5	Low	8 Å²	8	70.9 Å²	70.9	5%	0.052	36%	0.358	C	S	.	.	H	α-helix	trans	-54.2	-41.3	-177.6	-25	31.2	0	0	0	114	R209 I210 N211 W225 V254 K282	P207-R209 PolarHBondContact O-N 3.07Å; P207-I210 WeakPolarHBondContact O-CB 3.16Å; P207-I210 PolarHBondContact O-N 3.06Å; P207-I210 VanDerWaalsContact O-N 3.07Å; P207-N211 PolarHBondContact O-N 3.13Å; P207-W225 HydrophobicContact CG-CD2 4.44Å; P207-W225 HydrophobicContact CG-CE3 4.2Å; P207-W225 HydrophobicContact CG-CH2 3.73Å; P207-W225 HydrophobicContact CG-CZ2 3.99Å; P207-W225 HydrophobicContact CG-CZ3 3.83Å; P207-V254 HydrophobicContact CB-CG1 4.37Å; P207-V254 HydrophobicContact CG-CG1 3.88Å; P207-K282 HydrophobicContact CG-CD 4.1Å
208	E	87.3	Confident	67.2	Low	23 Å²	23	68 Å²	68	11%	0.107	34%	0.337	C	S	.	.	H	α-helix	trans	-65.2	-27.1	179.2	67.8	-82.1	-170.4	0	0	113.2	A206 I210 T212 S222 K284 R287	A206-E208 VanDerWaalsContact C-N 3.3Å; A206-E208 VanDerWaalsContact CB-CD 3.49Å; A206-E208 VanDerWaalsContact CB-OE1 3.25Å; A206-E208 WeakPolarHBondContact CB-OE1 3.46Å; A206-E208 WeakPolarHBondContact CB-OE2 3.07Å; A206-E208 PolarHBondContact O-N 3.08Å; E208-I210 VanDerWaalsContact C-N 3.31Å; E208-T212 WeakPolarHBondContact O-CG2 3.46Å; E208-T212 PolarHBondContact O-N 3.35Å; E208-T212 PolarHBondContact O-OG1 3.33Å; E208-S222 WeakPolarHBondContact OE1-CA 3.39Å; E208-S222 WeakPolarHBondContact OE1-CB 3.08Å; E208-S222 PolarHBondContact OE1-OG 2.84Å; E208-K284 HydrophobicContact CB-CD 4.3Å; E208-K284 HydrophobicContact CG-CB 4.4Å; E208-K284 HydrophobicContact CG-CD 3.98Å; E208-R287 IonicContact OE1-CZ 3.86Å; E208-R287 IonicContact OE1-NH1 3.48Å; E208-R287 PolarHBondContact OE1-NH1 3.49Å; E208-R287 IonicContact OE1-NH2 2.83Å; E208-R287 IonicContact OE2-CZ 3.55Å; E208-R287 IonicContact OE2-NH1 2.91Å; E208-R287 PolarHBondContact OE2-NH1 2.54Å; E208-R287 IonicContact OE2-NH2 2.8Å; E208-R287 PolarHBondContact OE2-NH2 3.24Å
209	R	79.7	Confident	68.6	Low	29 Å²	29	65.1 Å²	65.1	11%	0.109	32%	0.324	C	S	.	.	H	α-helix	trans	-79.3	-14.5	175.7	-66.9	-177.9	60.6	-167.1	-7.4	112.8	R164 N192 L205 A206 P207	R164-R209 PolarHBondContact O-NH1 3.24Å; N192-R209 PolarHBondContact ND2-NH2 2.79Å; L205-R209 HydrophobicContact CD1-CB 3.56Å; L205-R209 HydrophobicContact CD1-CG 4.28Å; L205-R209 VanDerWaalsContact CD1-NE 3.29Å; L205-R209 HydrophobicContact CD2-CB 4.48Å; L205-R209 HydrophobicContact CG-CB 3.87Å; A206-R209 HydrophobicContact CB-CG 4.49Å; A206-R209 WeakPolarHBondContact O-CB 3.43Å; A206-R209 PolarHBondContact O-N 3.27Å; P207-R209 PolarHBondContact O-N 3.07Å
210	I	78	Confident	70.3	Confident	40 Å²	40	60.9 Å²	60.9	21%	0.205	30%	0.302	C	S	.	.	H	α-helix	trans	-86.3	-40.8	174.5	-61.2	170.4	0	0	0	110.3	L205 A206 P207 E208 L251 V254 V255	L205-I210 HydrophobicContact CD2-CG1 3.66Å; L205-I210 HydrophobicContact CG-CG1 4.03Å; A206-I210 PolarHBondContact O-N 3.5Å; P207-I210 WeakPolarHBondContact O-CB 3.16Å; P207-I210 PolarHBondContact O-N 3.06Å; P207-I210 VanDerWaalsContact O-N 3.07Å; E208-I210 VanDerWaalsContact C-N 3.31Å; I210-L251 HydrophobicContact CB-CD2 4.45Å; I210-L251 HydrophobicContact CD1-CD2 3.53Å; I210-L251 HydrophobicContact CG1-CD2 3.71Å; I210-L251 HydrophobicContact CG2-CB 4.26Å; I210-L251 HydrophobicContact CG2-CD2 3.9Å; I210-L251 HydrophobicContact CG2-CG 4.46Å; I210-V254 HydrophobicContact CD1-CB 3.69Å; I210-V254 HydrophobicContact CD1-CG1 3.43Å; I210-V254 VanDerWaalsContact CD1-CG1 3.43Å; I210-V254 HydrophobicContact CD1-CG2 4.42Å; I210-V255 HydrophobicContact CB-CG2 4.06Å; I210-V255 HydrophobicContact CD1-CG2 4.02Å; I210-V255 HydrophobicContact CG2-CG2 3.9Å
211	N	70.1	Confident	72.3	Confident	111 Å²	111	61.3 Å²	61.3	59%	0.594	29%	0.292	S	S	*	.	H	α-helix	trans	-79	-17.4	-174.1	-70	-25.8	0	0	0	113.8	P207	P207-N211 PolarHBondContact O-N 3.13Å
212	T	62	Low	73.9	Confident	61 Å²	61	58.9 Å²	58.9	37%	0.374	28%	0.278	S	S	.	.			trans	-93.9	129	-178.1	46.9	0	0	0	0	111.1	E208	E208-T212 WeakPolarHBondContact O-CG2 3.46Å; E208-T212 PolarHBondContact O-N 3.35Å; E208-T212 PolarHBondContact O-OG1 3.33Å
213	R	53.9	Low	75	Confident	257 Å²	257	56 Å²	56	97%	0.97	27%	0.267	S	S	*	.	S	Bend	trans	-77.8	-14.4	167.6	-72	-174.4	177.5	-175.7	-0.3	112.3
214	E	51.3	Low	75.7	Confident	126 Å²	126	55.3 Å²	55.3	59%	0.589	26%	0.261	S	S	*	.	S	Bend	trans	-116.6	148.6	-170.8	-64.9	179.6	-179.9	0	0	110.6	E216 G217	E214-E216 HydrophobicContact CB-CG 4.25Å; E214-E216 PolarHBondContact O-N 2.98Å; E214-G217 PolarHBondContact O-N 3.36Å
215	N	51.1	Low	76	Confident	136 Å²	136	53.4 Å²	53.4	73%	0.727	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-60.7	0.5	178.2	-74.2	-21.5	0	0	0	114.2	G217 F218	N215-G217 PolarHBondContact O-N 2.94Å; N215-F218 HydrophobicContact CB-CD2 4.36Å; N215-F218 WeakPolarHBondContact O-CD2 2.85Å; N215-F218 PolarHBondContact O-N 2.89Å
216	E	51.2	Low	76.4	Confident	153 Å²	153	52.4 Å²	52.4	72%	0.715	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-63.8	-16.2	171.9	-57.8	-165.9	155.6	0	0	113.1	E214 F218	E214-E216 HydrophobicContact CB-CG 4.25Å; E214-E216 PolarHBondContact O-N 2.98Å; E216-F218 VanDerWaalsContact C-N 3.31Å; E216-F218 PolarHBondContact O-N 2.78Å
217	G	54.2	Low	76.8	Confident	2 Å²	2	52.4 Å²	52.4	2%	0.021	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-73	-14.9	178.3	0	0	0	0	0	115.3	E214 N215 C219 S222	E214-G217 PolarHBondContact O-N 3.36Å; N215-G217 PolarHBondContact O-N 2.94Å; G217-C219 PolarHBondContact O-N 3.48Å; G217-S222 PolarHBondContact O-OG 2.85Å
218	F	62.1	Low	77.2	Confident	43 Å²	43	52 Å²	52	19%	0.189	25%	0.246	C	C	.	.			trans	-83.9	105.4	-177.4	-67.8	-98.8	0	0	0	111	R164 N215 E216	R164-F218 HydrophobicContact CB-CD1 4.23Å; R164-F218 HydrophobicContact CB-CE1 4.27Å; R164-F218 HydrophobicContact CG-CD1 3.81Å; R164-F218 HydrophobicContact CG-CE1 4.25Å; N215-F218 HydrophobicContact CB-CD2 4.36Å; N215-F218 WeakPolarHBondContact O-CD2 2.85Å; N215-F218 PolarHBondContact O-N 2.89Å; E216-F218 VanDerWaalsContact C-N 3.31Å; E216-F218 PolarHBondContact O-N 2.78Å
219	C	73.7	Confident	77.7	Confident	30 Å²	30	51 Å²	51	20%	0.203	24%	0.242	C	C	.	.			trans	-131.8	167.2	169	71.4	0	0	0	0	111.5	G217 R221 S222	G217-C219 PolarHBondContact O-N 3.48Å; C219-R221 PolarHBondContact O-N 2.76Å; C219-S222 WeakPolarHBondContact O-CB 3.26Å; C219-S222 PolarHBondContact O-N 3.12Å
220	I	83.6	Confident	78.5	Confident	33 Å²	33	49.7 Å²	49.7	17%	0.169	24%	0.236	C	C	.	.	H	α-helix	trans	-51.8	-29.9	175.2	60.5	175.4	0	0	0	112.9	H157 I162 S222 D223 V224 Y290	H157-I220 WeakPolarHBondContact ND1-CG2 3.42Å; I162-I220 HydrophobicContact CG1-CG2 4.32Å; I220-S222 VanDerWaalsContact C-N 3.27Å; I220-S222 PolarHBondContact O-N 2.81Å; I220-D223 PolarHBondContact O-N 2.78Å; I220-V224 PolarHBondContact O-N 3.46Å; I220-Y290 HydrophobicContact CB-CE2 3.98Å; I220-Y290 HydrophobicContact CG2-CE2 4.18Å; I220-Y290 PolarHBondContact O-OH 2.87Å
221	R	92.3	Very high	79.5	Confident	44 Å²	44	47.9 Å²	47.9	17%	0.166	23%	0.227	C	C	.	.	H	α-helix	trans	-72.8	-20.6	179.7	-57.8	-63.3	-170.3	79.3	-15.3	112.7	C219 V224 W225 K284 D285 R287 P288	C219-R221 PolarHBondContact O-N 2.76Å; R221-V224 PolarHBondContact O-N 3.37Å; R221-W225 PolarHBondContact O-N 3Å; R221-K284 HydrophobicContact CB-CB 4.11Å; R221-K284 WeakPolarHBondContact CB-O 3.36Å; R221-K284 WeakPolarHBondContact CG-O 3.47Å; R221-K284 PolarHBondContact NH1-O 3.02Å; R221-D285 VanDerWaalsContact NH1-C 3.27Å; R221-D285 PolarHBondContact NH1-O 2.69Å; R221-R287 PolarHBondContact NE-O 2.75Å; R221-R287 PolarHBondContact NH1-O 3.42Å; R221-R287 PolarHBondContact NH2-O 3.29Å; R221-R287 WeakPolarHBondContact O-CD 3.29Å; R221-R287 PolarHBondContact O-NH1 3.18Å; R221-P288 VanDerWaalsContact CD-O 3.31Å; R221-P288 WeakPolarHBondContact CD-O 3.33Å; R221-P288 PolarHBondContact NE-O 3.45Å
222	S	90.7	Very high	80.8	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-71.9	-36	172.1	-55.1	0	0	0	0	111.7	E208 G217 C219 I220 V224 W225 S226	E208-S222 WeakPolarHBondContact OE1-CA 3.39Å; E208-S222 WeakPolarHBondContact OE1-CB 3.08Å; E208-S222 PolarHBondContact OE1-OG 2.84Å; G217-S222 PolarHBondContact O-OG 2.85Å; C219-S222 WeakPolarHBondContact O-CB 3.26Å; C219-S222 PolarHBondContact O-N 3.12Å; I220-S222 VanDerWaalsContact C-N 3.27Å; I220-S222 PolarHBondContact O-N 2.81Å; S222-V224 VanDerWaalsContact C-N 3.3Å; S222-W225 WeakPolarHBondContact O-CB 3.32Å; S222-W225 PolarHBondContact O-N 2.96Å; S222-S226 PolarHBondContact O-N 2.92Å; S222-S226 VanDerWaalsContact O-N 3.16Å; S222-S226 PolarHBondContact O-OG 3.14Å; S222-S226 VanDerWaalsContact O-OG 3.07Å
223	D	93.6	Very high	82.5	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-67	-34.4	173.3	-75.9	-16.3	0	0	0	111.3	I162 H163 R164 V166 I220 W225 S226 L227 Y290	I162-D223 WeakPolarHBondContact CG2-OD2 3.37Å; H163-D223 WeakPolarHBondContact CA-OD2 3.22Å; H163-D223 VanDerWaalsContact CB-OD2 3.31Å; H163-D223 WeakPolarHBondContact CB-OD2 3.07Å; H163-D223 PolarHBondContact N-OD2 3.46Å; R164-D223 VanDerWaalsContact CA-OD1 3.24Å; R164-D223 WeakPolarHBondContact CA-OD1 3.49Å; R164-D223 PolarHBondContact N-OD1 3.49Å; R164-D223 PolarHBondContact N-OD2 3.33Å; V166-D223 HydrophobicContact CG2-CB 3.93Å; I220-D223 PolarHBondContact O-N 2.78Å; D223-W225 VanDerWaalsContact C-N 3.34Å; D223-W225 PolarHBondContact O-N 3.45Å; D223-S226 PolarHBondContact O-N 3.22Å; D223-L227 WeakPolarHBondContact O-CB 3.38Å; D223-L227 PolarHBondContact O-N 3.18Å; D223-Y290 WeakPolarHBondContact CB-OH 3.33Å; D223-Y290 PolarHBondContact OD2-OH 2.82Å
224	V	97.4	Very high	84.6	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-40.2	173.1	173.4	0	0	0	0	111.9	I220 R221 S222 L227 G228 C279 R287 P288 Y290 L293	I220-V224 PolarHBondContact O-N 3.46Å; R221-V224 PolarHBondContact O-N 3.37Å; S222-V224 VanDerWaalsContact C-N 3.3Å; V224-L227 WeakPolarHBondContact O-CB 3.47Å; V224-L227 PolarHBondContact O-N 3.39Å; V224-G228 PolarHBondContact O-N 3.3Å; V224-C279 HydrophobicContact CG1-CB 4Å; V224-C279 WeakPolarHBondContact O-CB 3.34Å; V224-R287 HydrophobicContact CG1-CB 4.1Å; V224-P288 HydrophobicContact CG1-CG 4.41Å; V224-Y290 HydrophobicContact CG2-CD1 4.07Å; V224-Y290 HydrophobicContact CG2-CE1 3.68Å; V224-L293 HydrophobicContact CG1-CD1 4.07Å; V224-L293 HydrophobicContact CG2-CD1 3.9Å
225	W	96.6	Very high	86.8	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-50.2	173	172.6	-81.3	0	0	0	111.8	L205 A206 P207 R221 S222 D223 L227 G228 L229 V254 L280 K282	L205-W225 PolarHBondContact O-NE1 2.85Å; A206-W225 VanDerWaalsContact CA-CD1 3.45Å; A206-W225 HydrophobicContact CB-CB 3.79Å; A206-W225 HydrophobicContact CB-CD2 4.4Å; A206-W225 HydrophobicContact CB-CG 3.72Å; P207-W225 HydrophobicContact CG-CD2 4.44Å; P207-W225 HydrophobicContact CG-CE3 4.2Å; P207-W225 HydrophobicContact CG-CH2 3.73Å; P207-W225 HydrophobicContact CG-CZ2 3.99Å; P207-W225 HydrophobicContact CG-CZ3 3.83Å; R221-W225 PolarHBondContact O-N 3Å; S222-W225 WeakPolarHBondContact O-CB 3.32Å; S222-W225 PolarHBondContact O-N 2.96Å; D223-W225 VanDerWaalsContact C-N 3.34Å; D223-W225 PolarHBondContact O-N 3.45Å; W225-L227 VanDerWaalsContact C-N 3.26Å; W225-L227 PolarHBondContact O-N 3.42Å; W225-G228 WeakPolarHBondContact O-CA 3.4Å; W225-G228 PolarHBondContact O-N 3.17Å; W225-L229 VanDerWaalsContact NE1-CD1 3.25Å; W225-L229 PolarHBondContact O-N 3.41Å; W225-V254 HydrophobicContact CZ2-CG1 3.98Å; W225-L280 HydrophobicContact CD2-CD2 4.04Å; W225-L280 HydrophobicContact CE3-CD2 4.14Å; W225-L280 HydrophobicContact CG-CD2 4.47Å; W225-L280 HydrophobicContact CZ3-CB 4.41Å; W225-L280 HydrophobicContact CZ3-CD2 4.45Å; W225-L280 WeakPolarHBondContact CZ3-O 3.35Å; W225-K282 HydrophobicContact CH2-CD 3.92Å; W225-K282 HydrophobicContact CZ3-CD 4.08Å
226	S	95.4	Very high	88.9	Confident	2 Å²	2	17.6 Å²	17.6	1%	0.014	9%	0.087	C	C	.	.	H	α-helix	trans	-59.1	-38.5	178.6	-55.6	0	0	0	0	111.8	V166 Y204 S222 D223 S230	V166-S226 WeakPolarHBondContact O-CB 3.26Å; Y204-S226 PolarHBondContact O-OG 3.07Å; S222-S226 PolarHBondContact O-N 2.92Å; S222-S226 VanDerWaalsContact O-N 3.16Å; S222-S226 PolarHBondContact O-OG 3.14Å; S222-S226 VanDerWaalsContact O-OG 3.07Å; D223-S226 PolarHBondContact O-N 3.22Å; S226-S230 WeakPolarHBondContact O-CB 3.05Å; S226-S230 PolarHBondContact O-N 2.86Å; S226-S230 PolarHBondContact O-OG 3.07Å
227	L	98.1	Very high	91	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-60.5	-51.3	170.9	176	65.8	0	0	0	110.6	V149 V150 V166 M171 D223 V224 W225 L229 S230 V231 F275 L293	V149-L227 HydrophobicContact CB-CD1 4.43Å; V149-L227 HydrophobicContact CG1-CD1 3.76Å; V150-L227 HydrophobicContact CG2-CD2 3.59Å; V166-L227 HydrophobicContact CG1-CB 4.24Å; M171-L227 HydrophobicContact CE-CD1 4.48Å; D223-L227 WeakPolarHBondContact O-CB 3.38Å; D223-L227 PolarHBondContact O-N 3.18Å; V224-L227 WeakPolarHBondContact O-CB 3.47Å; V224-L227 PolarHBondContact O-N 3.39Å; W225-L227 VanDerWaalsContact C-N 3.26Å; W225-L227 PolarHBondContact O-N 3.42Å; L227-L229 VanDerWaalsContact C-N 3.29Å; L227-L229 PolarHBondContact O-N 2.98Å; L227-S230 CarbonylContact O-C 3.59Å; L227-S230 WeakPolarHBondContact O-CA 3.26Å; L227-S230 WeakPolarHBondContact O-CB 3.46Å; L227-S230 PolarHBondContact O-N 2.99Å; L227-V231 HydrophobicContact CD1-CG2 3.9Å; L227-V231 HydrophobicContact CG-CG2 4.2Å; L227-V231 WeakPolarHBondContact O-CG2 3.21Å; L227-V231 PolarHBondContact O-N 3.12Å; L227-F275 HydrophobicContact CD2-CZ 4.29Å; L227-L293 HydrophobicContact CD2-CD1 4.06Å
228	G	98.5	Very high	92.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-52.9	-44.9	178.2	0	0	0	0	0	113	V224 W225 V231 L232	V224-G228 PolarHBondContact O-N 3.3Å; W225-G228 WeakPolarHBondContact O-CA 3.4Å; W225-G228 PolarHBondContact O-N 3.17Å; G228-V231 PolarHBondContact O-N 2.83Å; G228-L232 WeakPolarHBondContact O-CB 3.25Å; G228-L232 PolarHBondContact O-N 3.4Å
229	L	97.7	Very high	94.2	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-65.1	-41.2	175.2	-67.8	-179.3	0	0	0	112.1	A203 Y204 W225 L227 L232 E233 C240 Y241 P260 L280	A203-L229 WeakPolarHBondContact O-CD1 3.32Å; Y204-L229 HydrophobicContact CD1-CB 4Å; W225-L229 VanDerWaalsContact NE1-CD1 3.25Å; W225-L229 PolarHBondContact O-N 3.41Å; L227-L229 VanDerWaalsContact C-N 3.29Å; L227-L229 PolarHBondContact O-N 2.98Å; L229-L232 PolarHBondContact O-N 3.24Å; L229-E233 WeakPolarHBondContact O-CB 3.04Å; L229-E233 PolarHBondContact O-N 3.41Å; L229-C240 HydrophobicContact CD2-CB 4.01Å; L229-Y241 HydrophobicContact CD1-CD2 4.2Å; L229-Y241 HydrophobicContact CD1-CE2 4.03Å; L229-Y241 HydrophobicContact CD2-CE2 3.95Å; L229-P260 HydrophobicContact CD2-CB 4.5Å; L229-P260 HydrophobicContact CD2-CG 3.99Å; L229-L280 HydrophobicContact CD2-CD1 4.2Å; L229-L280 HydrophobicContact CD2-CD2 3.69Å; L229-L280 HydrophobicContact CG-CD2 3.76Å
230	S	98	Very high	94.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.6	-44.8	177.5	-57.3	0	0	0	0	111.8	K167 S226 L227 E233 L234	K167-S230 WeakPolarHBondContact CA-OG 3.45Å; S226-S230 WeakPolarHBondContact O-CB 3.05Å; S226-S230 PolarHBondContact O-N 2.86Å; S226-S230 PolarHBondContact O-OG 3.07Å; L227-S230 CarbonylContact O-C 3.59Å; L227-S230 WeakPolarHBondContact O-CA 3.26Å; L227-S230 WeakPolarHBondContact O-CB 3.46Å; L227-S230 PolarHBondContact O-N 2.99Å; S230-E233 PolarHBondContact O-N 3.5Å; S230-L234 VanDerWaalsContact O-CG 3.27Å; S230-L234 WeakPolarHBondContact O-CG 3.49Å; S230-L234 PolarHBondContact O-N 2.68Å
231	V	98.6	Very high	95.1	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.012	10%	0.1	C	C	.	.	H	α-helix	trans	-66.4	-40.7	178.5	-177.1	0	0	0	0	110.9	L142 V146 L227 G228 E233 L234 A235 L272 F275 I276	L142-V231 HydrophobicContact CD1-CG1 4.48Å; L142-V231 HydrophobicContact CD2-CG1 4.4Å; V146-V231 HydrophobicContact CG1-CG2 4.21Å; V146-V231 HydrophobicContact CG2-CB 4.31Å; V146-V231 HydrophobicContact CG2-CG1 3.85Å; V146-V231 HydrophobicContact CG2-CG2 3.46Å; V146-V231 VanDerWaalsContact CG2-CG2 3.46Å; L227-V231 HydrophobicContact CD1-CG2 3.9Å; L227-V231 HydrophobicContact CG-CG2 4.2Å; L227-V231 WeakPolarHBondContact O-CG2 3.21Å; L227-V231 PolarHBondContact O-N 3.12Å; G228-V231 PolarHBondContact O-N 2.83Å; V231-E233 VanDerWaalsContact C-N 3.35Å; V231-L234 PolarHBondContact O-N 2.8Å; V231-A235 WeakPolarHBondContact O-CB 3.21Å; V231-A235 PolarHBondContact O-N 3.39Å; V231-L272 HydrophobicContact CG1-CD1 3.79Å; V231-F275 HydrophobicContact CG2-CE1 4.27Å; V231-I276 HydrophobicContact CB-CG1 4.26Å; V231-I276 HydrophobicContact CG1-CD1 4.04Å; V231-I276 HydrophobicContact CG1-CG1 4Å
232	L	97.9	Very high	94.6	Very high	5 Å²	5	18.7 Å²	18.7	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-62.6	-41.6	175.5	-179.2	54.4	0	0	0	111.8	G228 L229 A235 T236 C240 P260 L262 I276 L280	G228-L232 WeakPolarHBondContact O-CB 3.25Å; G228-L232 PolarHBondContact O-N 3.4Å; L229-L232 PolarHBondContact O-N 3.24Å; L232-A235 PolarHBondContact O-N 2.68Å; L232-T236 HydrophobicContact CD1-CG2 3.8Å; L232-T236 WeakPolarHBondContact O-CB 3.08Å; L232-T236 VanDerWaalsContact O-CG2 3.31Å; L232-T236 WeakPolarHBondContact O-CG2 3.38Å; L232-T236 PolarHBondContact O-N 2.95Å; L232-T236 PolarHBondContact O-OG1 2.5Å; L232-C240 WeakPolarHBondContact CD2-SG 3.31Å; L232-P260 HydrophobicContact CD2-CB 3.5Å; L232-P260 VanDerWaalsContact CD2-CB 3.5Å; L232-L262 HydrophobicContact CD1-CB 4.4Å; L232-L262 HydrophobicContact CD1-CD2 3.52Å; L232-L262 HydrophobicContact CD1-CG 3.76Å; L232-I276 HydrophobicContact CB-CD1 4.27Å; L232-I276 HydrophobicContact CB-CG2 4.2Å; L232-I276 HydrophobicContact CD1-CD1 4.39Å; L232-I276 HydrophobicContact CD2-CG2 4.41Å; L232-L280 HydrophobicContact CD2-CD1 4.1Å
233	E	97.3	Very high	93.9	Very high	18 Å²	18	26.3 Å²	26.3	8%	0.084	14%	0.142	C	C	.	.	H	α-helix	trans	-64.5	-44.4	174.4	174.2	167.2	-178.1	0	0	111.9	L127 Y204 L229 S230 V231 A235 T236 G237	L127-E233 HydrophobicContact CD2-CG 3.56Å; Y204-E233 PolarHBondContact OH-OE2 3.33Å; L229-E233 WeakPolarHBondContact O-CB 3.04Å; L229-E233 PolarHBondContact O-N 3.41Å; S230-E233 PolarHBondContact O-N 3.5Å; V231-E233 VanDerWaalsContact C-N 3.35Å; E233-A235 VanDerWaalsContact C-N 3.28Å; E233-A235 PolarHBondContact O-N 3.44Å; E233-T236 PolarHBondContact O-N 2.64Å; E233-G237 WeakPolarHBondContact O-CA 3.42Å; E233-G237 PolarHBondContact O-N 3.36Å
234	L	98.2	Very high	92.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-60.7	-37	175.8	-70.6	170.5	0	0	0	112.5	L123 L127 Y131 F137 L142 I145 P168 S230 V231	L123-L234 HydrophobicContact CB-CD2 4.09Å; L123-L234 HydrophobicContact CD1-CD1 4.11Å; L127-L234 HydrophobicContact CB-CD2 4.4Å; L127-L234 HydrophobicContact CD1-CD2 4.22Å; Y131-L234 PolarHBondContact OH-O 3.14Å; Y131-L234 VanDerWaalsContact OH-O 3.14Å; F137-L234 VanDerWaalsContact CD2-O 3.25Å; F137-L234 WeakPolarHBondContact CD2-O 3.24Å; F137-L234 HydrophobicContact CE2-CD2 4.4Å; F137-L234 HydrophobicContact CZ-CD2 4.3Å; L142-L234 HydrophobicContact CD1-CB 3.72Å; L142-L234 HydrophobicContact CD1-CD1 4.21Å; I145-L234 HydrophobicContact CG2-CD1 4.17Å; P168-L234 HydrophobicContact CB-CD2 4.45Å; S230-L234 VanDerWaalsContact O-CG 3.27Å; S230-L234 WeakPolarHBondContact O-CG 3.49Å; S230-L234 PolarHBondContact O-N 2.68Å; V231-L234 PolarHBondContact O-N 2.8Å
235	A	97.1	Very high	91.8	Very high	3 Å²	3	33.4 Å²	33.4	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-76.8	-26.4	179.8	0	0	0	0	0	113.9	Y131 L142 V231 L232 E233 L262 Y268 L272	Y131-A235 PolarHBondContact OH-O 3Å; L142-A235 HydrophobicContact CD2-CB 3.94Å; V231-A235 WeakPolarHBondContact O-CB 3.21Å; V231-A235 PolarHBondContact O-N 3.39Å; L232-A235 PolarHBondContact O-N 2.68Å; E233-A235 VanDerWaalsContact C-N 3.28Å; E233-A235 PolarHBondContact O-N 3.44Å; A235-L262 HydrophobicContact CB-CD2 3.92Å; A235-Y268 HydrophobicContact CB-CE1 4.07Å; A235-Y268 WeakPolarHBondContact O-CE1 3.42Å; A235-Y268 PolarHBondContact O-OH 3.14Å; A235-L272 HydrophobicContact CB-CD2 4.39Å
236	T	95.6	Very high	91.1	Very high	28 Å²	28	38.2 Å²	38.2	17%	0.172	21%	0.214	C	C	.	.	H	α-helix	trans	-111.4	-15.4	-173	61.7	0	0	0	0	114	Y131 L232 E233 K238 L262 P263	Y131-T236 VanDerWaalsContact CE1-C 3.41Å; Y131-T236 WeakPolarHBondContact CE1-O 3.47Å; Y131-T236 PolarHBondContact OH-N 2.78Å; L232-T236 HydrophobicContact CD1-CG2 3.8Å; L232-T236 WeakPolarHBondContact O-CB 3.08Å; L232-T236 VanDerWaalsContact O-CG2 3.31Å; L232-T236 WeakPolarHBondContact O-CG2 3.38Å; L232-T236 PolarHBondContact O-N 2.95Å; L232-T236 PolarHBondContact O-OG1 2.5Å; E233-T236 PolarHBondContact O-N 2.64Å; T236-K238 PolarHBondContact O-N 3.12Å; T236-K238 PolarHBondContact OG1-N 2.8Å; T236-K238 PolarHBondContact OG1-O 3.14Å; T236-L262 HydrophobicContact CG2-CD2 3.94Å; T236-P263 HydrophobicContact CG2-CG 4.38Å
237	G	95.1	Very high	90.4	Very high	22 Å²	22	38.9 Å²	38.9	23%	0.227	22%	0.218	C	C	.	.	S	Bend	trans	75.6	6.3	-176	0	0	0	0	0	114.1	Y131 E233	Y131-G237 VanDerWaalsContact CE1-CA 3.46Å; Y131-G237 VanDerWaalsContact CZ-CA 3.45Å; Y131-G237 PolarHBondContact OH-N 2.69Å; E233-G237 WeakPolarHBondContact O-CA 3.42Å; E233-G237 PolarHBondContact O-N 3.36Å
238	K	92.1	Very high	89.6	Confident	155 Å²	155	46.2 Å²	46.2	67%	0.674	25%	0.249	S	C	*	.	S	Bend	trans	-133.2	130.5	-172.4	-64.2	-179.2	-176.4	176.8	0	110.4	T236	T236-K238 PolarHBondContact O-N 3.12Å; T236-K238 PolarHBondContact OG1-N 2.8Å; T236-K238 PolarHBondContact OG1-O 3.14Å
239	P	90.8	Very high	89	Confident	55 Å²	55	51.1 Å²	51.1	36%	0.357	27%	0.273	S	S	.	.			trans	-64.6	139.4	171.5	27.8	-34.2	0	0	0	109.7	Y241 P242	P239-Y241 PolarHBondContact O-N 3.09Å; P239-P242 HydrophobicContact CG-CB 4.29Å
240	C	88	Confident	88.5	Confident	38 Å²	38	51.4 Å²	51.4	26%	0.257	27%	0.274	S	S	.	.	S	Bend	trans	-64.4	-32.3	177.8	-64.4	0	0	0	0	112.1	L229 L232 P260	L229-C240 HydrophobicContact CD2-CB 4.01Å; L232-C240 WeakPolarHBondContact CD2-SG 3.31Å; C240-P260 HydrophobicContact CB-CB 4.24Å; C240-P260 HydrophobicContact CB-CG 4Å
241	Y	88	Confident	87.8	Confident	11 Å²	11	52.9 Å²	52.9	4%	0.043	28%	0.282	C	S	.	.	S	Bend	trans	-132	86.6	-176.2	-58	-65.1	0	0	0	109.4	A203 L229 P239 Q250 Q253 V254 P260	A203-Y241 WeakPolarHBondContact O-CD2 3.41Å; L229-Y241 HydrophobicContact CD1-CD2 4.2Å; L229-Y241 HydrophobicContact CD1-CE2 4.03Å; L229-Y241 HydrophobicContact CD2-CE2 3.95Å; P239-Y241 PolarHBondContact O-N 3.09Å; Y241-Q250 HydrophobicContact CD1-CG 4.05Å; Y241-Q250 HydrophobicContact CG-CG 4.06Å; Y241-Q253 HydrophobicContact CE1-CB 3.92Å; Y241-V254 HydrophobicContact CD1-CG2 4.34Å; Y241-V254 HydrophobicContact CD2-CG2 4.11Å; Y241-V254 HydrophobicContact CE1-CG2 3.95Å; Y241-V254 HydrophobicContact CE2-CG2 3.68Å; Y241-V254 HydrophobicContact CG-CG2 4.41Å; Y241-P260 HydrophobicContact CE2-CG 4.07Å; Y241-P260 WeakPolarHBondContact OH-CD 3.37Å; Y241-P260 WeakPolarHBondContact OH-CG 2.97Å
242	P	82.5	Confident	87.2	Confident	47 Å²	47	55.3 Å²	55.3	31%	0.305	30%	0.296	S	S	.	.			trans	-68.8	144.2	-174.6	27.5	-34	0	0	0	111.7	P239 S244 Q245	P239-P242 HydrophobicContact CG-CB 4.29Å; P242-S244 PolarHBondContact O-N 2.59Å; P242-S244 VanDerWaalsContact O-N 3.1Å; P242-Q245 HydrophobicContact CG-CB 4.44Å; P242-Q245 WeakPolarHBondContact O-CB 3.44Å; P242-Q245 PolarHBondContact O-N 2.82Å
243	Q	74.7	Confident	86.8	Confident	161 Å²	161	56.7 Å²	56.7	75%	0.752	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.4	179.4	-68.5	178.9	-9.6	0	0	114.3	Q245	Q243-Q245 PolarHBondContact O-N 2.99Å
244	S	73.5	Confident	86.5	Confident	116 Å²	116	55.9 Å²	55.9	81%	0.811	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.6	173.6	54.2	0	0	0	0	113	P242	P242-S244 PolarHBondContact O-N 2.59Å; P242-S244 VanDerWaalsContact O-N 3.1Å
245	Q	74.7	Confident	86	Confident	34 Å²	34	57.3 Å²	57.3	16%	0.159	31%	0.307	C	S	.	.	S	Bend	trans	-78.9	148.5	178.8	-171.5	176.2	-14.1	0	0	111.7	P242 Q243 V247 Q253	P242-Q245 HydrophobicContact CG-CB 4.44Å; P242-Q245 WeakPolarHBondContact O-CB 3.44Å; P242-Q245 PolarHBondContact O-N 2.82Å; Q243-Q245 PolarHBondContact O-N 2.99Å; Q245-V247 PolarHBondContact O-N 3.08Å; Q245-Q253 VanDerWaalsContact NE2-CD 3.27Å
246	N	82.2	Confident	85.6	Confident	102 Å²	102	64.1 Å²	64.1	55%	0.545	34%	0.338	S	S	.	.			trans	-62.8	128.6	172.1	-176	-73	0	0	0	110.8	F248 Q249 Q250	N246-F248 VanDerWaalsContact C-N 3.33Å; N246-F248 PolarHBondContact O-N 3.42Å; N246-F248 WeakPolarHBondContact OD1-CB 3.31Å; N246-F248 PolarHBondContact OD1-N 3.41Å; N246-Q249 HydrophobicContact CB-CB 4.16Å; N246-Q249 WeakPolarHBondContact O-CB 3.44Å; N246-Q249 PolarHBondContact O-N 2.93Å; N246-Q249 VanDerWaalsContact O-N 3.12Å; N246-Q249 PolarHBondContact OD1-N 3.17Å; N246-Q250 PolarHBondContact O-N 2.84Å
247	V	80.1	Confident	85.5	Confident	16 Å²	16	66.9 Å²	66.9	10%	0.097	35%	0.349	C	S	.	.	H	α-helix	trans	-59.6	-40	-177.1	164.7	0	0	0	0	113.5	I199 Q245 Q249 Q250 L251	I199-V247 HydrophobicContact CB-CG2 4.04Å; I199-V247 HydrophobicContact CG2-CB 3.9Å; I199-V247 HydrophobicContact CG2-CG2 3.16Å; I199-V247 WeakPolarHBondContact O-CG2 3.36Å; Q245-V247 PolarHBondContact O-N 3.08Å; V247-Q249 VanDerWaalsContact C-N 3.3Å; V247-Q249 PolarHBondContact O-N 2.98Å; V247-Q250 PolarHBondContact O-N 3.05Å; V247-L251 HydrophobicContact CG1-CD1 3.89Å; V247-L251 HydrophobicContact CG1-CG 4.12Å; V247-L251 VanDerWaalsContact O-CG 3.23Å; V247-L251 WeakPolarHBondContact O-CG 3.4Å; V247-L251 PolarHBondContact O-N 2.92Å
248	F	82	Confident	85.4	Confident	154 Å²	154	71.5 Å²	71.5	68%	0.675	38%	0.375	S	S	*	.	H	α-helix	trans	-62.2	-43.9	178.5	-179.7	-96	0	0	0	110.6	N246 Q250 L251 V252	N246-F248 VanDerWaalsContact C-N 3.33Å; N246-F248 PolarHBondContact O-N 3.42Å; N246-F248 WeakPolarHBondContact OD1-CB 3.31Å; N246-F248 PolarHBondContact OD1-N 3.41Å; F248-Q250 PolarHBondContact O-N 2.81Å; F248-L251 PolarHBondContact O-N 3.3Å; F248-V252 HydrophobicContact CD1-CG2 4.23Å; F248-V252 HydrophobicContact CE1-CG2 3.81Å; F248-V252 HydrophobicContact CZ-CG2 3.99Å; F248-V252 WeakPolarHBondContact O-CG2 3.4Å; F248-V252 PolarHBondContact O-N 3.28Å
249	Q	85.4	Confident	85.6	Confident	104 Å²	104	65.5 Å²	65.5	49%	0.486	35%	0.353	S	S	.	.	H	α-helix	trans	-59.1	-49.7	175.1	-172.2	-176.6	-6.8	0	0	110.6	N246 V247 L251 V252 Q253	N246-Q249 HydrophobicContact CB-CB 4.16Å; N246-Q249 WeakPolarHBondContact O-CB 3.44Å; N246-Q249 PolarHBondContact O-N 2.93Å; N246-Q249 VanDerWaalsContact O-N 3.12Å; N246-Q249 PolarHBondContact OD1-N 3.17Å; V247-Q249 VanDerWaalsContact C-N 3.3Å; V247-Q249 PolarHBondContact O-N 2.98Å; Q249-L251 VanDerWaalsContact C-N 3.34Å; Q249-L251 PolarHBondContact O-N 3.01Å; Q249-V252 WeakPolarHBondContact O-CB 2.83Å; Q249-V252 PolarHBondContact O-N 3.1Å; Q249-V252 VanDerWaalsContact O-N 3.11Å; Q249-Q253 VanDerWaalsContact O-CG 3.3Å; Q249-Q253 WeakPolarHBondContact O-CG 3.29Å; Q249-Q253 PolarHBondContact O-N 2.76Å
250	Q	85.9	Confident	85.8	Confident	7 Å²	7	64.1 Å²	64.1	3%	0.033	34%	0.344	C	S	.	.	H	α-helix	trans	-55.8	-46.5	178.2	179.3	-174.1	-10	0	0	112.5	R202 Y241 N246 V247 F248 V252 Q253 V254	R202-Q250 VanDerWaalsContact C-NE2 3.33Å; R202-Q250 PolarHBondContact O-NE2 3.13Å; Y241-Q250 HydrophobicContact CD1-CG 4.05Å; Y241-Q250 HydrophobicContact CG-CG 4.06Å; N246-Q250 PolarHBondContact O-N 2.84Å; V247-Q250 PolarHBondContact O-N 3.05Å; F248-Q250 PolarHBondContact O-N 2.81Å; Q250-V252 VanDerWaalsContact C-N 3.29Å; Q250-V252 PolarHBondContact O-N 3.32Å; Q250-Q253 WeakPolarHBondContact O-CB 3.35Å; Q250-Q253 PolarHBondContact O-N 2.65Å; Q250-Q253 VanDerWaalsContact O-N 3.13Å; Q250-V254 WeakPolarHBondContact O-CG2 3.37Å; Q250-V254 PolarHBondContact O-N 3.1Å
251	L	84.7	Confident	86.1	Confident	32 Å²	32	68.6 Å²	68.6	17%	0.168	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-40.7	178	-65.9	174.4	0	0	0	111.3	I210 V247 F248 Q249 Q253 V254 V255	I210-L251 HydrophobicContact CB-CD2 4.45Å; I210-L251 HydrophobicContact CD1-CD2 3.53Å; I210-L251 HydrophobicContact CG1-CD2 3.71Å; I210-L251 HydrophobicContact CG2-CB 4.26Å; I210-L251 HydrophobicContact CG2-CD2 3.9Å; I210-L251 HydrophobicContact CG2-CG 4.46Å; V247-L251 HydrophobicContact CG1-CD1 3.89Å; V247-L251 HydrophobicContact CG1-CG 4.12Å; V247-L251 VanDerWaalsContact O-CG 3.23Å; V247-L251 WeakPolarHBondContact O-CG 3.4Å; V247-L251 PolarHBondContact O-N 2.92Å; F248-L251 PolarHBondContact O-N 3.3Å; Q249-L251 VanDerWaalsContact C-N 3.34Å; Q249-L251 PolarHBondContact O-N 3.01Å; L251-Q253 VanDerWaalsContact C-N 3.34Å; L251-Q253 PolarHBondContact O-N 2.64Å; L251-V254 PolarHBondContact O-N 3.33Å; L251-V255 WeakPolarHBondContact O-CG2 3.48Å; L251-V255 PolarHBondContact O-N 3.3Å
252	V	86.3	Confident	86.4	Confident	52 Å²	52	68.3 Å²	68.3	32%	0.315	36%	0.36	S	S	.	.	H	α-helix	trans	-60.9	-42.4	174	169.7	0	0	0	0	111.1	F248 Q249 Q250 V255 H256	F248-V252 HydrophobicContact CD1-CG2 4.23Å; F248-V252 HydrophobicContact CE1-CG2 3.81Å; F248-V252 HydrophobicContact CZ-CG2 3.99Å; F248-V252 WeakPolarHBondContact O-CG2 3.4Å; F248-V252 PolarHBondContact O-N 3.28Å; Q249-V252 WeakPolarHBondContact O-CB 2.83Å; Q249-V252 PolarHBondContact O-N 3.1Å; Q249-V252 VanDerWaalsContact O-N 3.11Å; Q250-V252 VanDerWaalsContact C-N 3.29Å; Q250-V252 PolarHBondContact O-N 3.32Å; V252-V255 PolarHBondContact O-N 3.38Å; V252-H256 WeakPolarHBondContact O-CB 3.28Å; V252-H256 PolarHBondContact O-N 3.31Å
253	Q	89	Confident	86.9	Confident	35 Å²	35	69.4 Å²	69.4	16%	0.164	37%	0.367	C	S	.	.	H	α-helix	trans	-64.1	-45.4	177.1	-56.2	-164.5	-54.7	0	0	112.2	Y241 Q245 Q249 Q250 L251 V255 E257	Y241-Q253 HydrophobicContact CE1-CB 3.92Å; Q245-Q253 VanDerWaalsContact NE2-CD 3.27Å; Q249-Q253 VanDerWaalsContact O-CG 3.3Å; Q249-Q253 WeakPolarHBondContact O-CG 3.29Å; Q249-Q253 PolarHBondContact O-N 2.76Å; Q250-Q253 WeakPolarHBondContact O-CB 3.35Å; Q250-Q253 PolarHBondContact O-N 2.65Å; Q250-Q253 VanDerWaalsContact O-N 3.13Å; L251-Q253 VanDerWaalsContact C-N 3.34Å; L251-Q253 PolarHBondContact O-N 2.64Å; Q253-V255 VanDerWaalsContact C-N 3.26Å; Q253-V255 PolarHBondContact O-N 3.49Å; Q253-E257 HydrophobicContact CB-CB 4.31Å; Q253-E257 HydrophobicContact CB-CG 4.31Å; Q253-E257 WeakPolarHBondContact CB-OE2 3.49Å; Q253-E257 VanDerWaalsContact CD-OE2 3.28Å; Q253-E257 VanDerWaalsContact CG-CD 3.46Å; Q253-E257 HydrophobicContact CG-CG 4.39Å; Q253-E257 WeakPolarHBondContact CG-OE2 3.19Å; Q253-E257 PolarHBondContact NE2-OE2 2.65Å; Q253-E257 WeakPolarHBondContact O-CB 3.28Å; Q253-E257 PolarHBondContact O-N 3.03Å; Q253-E257 VanDerWaalsContact O-N 3.11Å
254	V	89.9	Confident	87.4	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.006	38%	0.375	C	S	.	.	H	α-helix	trans	-60.8	-38.1	179.2	175.1	0	0	0	0	110.9	L205 P207 I210 W225 Y241 Q250 L251 K282	L205-V254 WeakPolarHBondContact O-CG1 3.21Å; P207-V254 HydrophobicContact CB-CG1 4.37Å; P207-V254 HydrophobicContact CG-CG1 3.88Å; I210-V254 HydrophobicContact CD1-CB 3.69Å; I210-V254 HydrophobicContact CD1-CG1 3.43Å; I210-V254 VanDerWaalsContact CD1-CG1 3.43Å; I210-V254 HydrophobicContact CD1-CG2 4.42Å; W225-V254 HydrophobicContact CZ2-CG1 3.98Å; Y241-V254 HydrophobicContact CD1-CG2 4.34Å; Y241-V254 HydrophobicContact CD2-CG2 4.11Å; Y241-V254 HydrophobicContact CE1-CG2 3.95Å; Y241-V254 HydrophobicContact CE2-CG2 3.68Å; Y241-V254 HydrophobicContact CG-CG2 4.41Å; Q250-V254 WeakPolarHBondContact O-CG2 3.37Å; Q250-V254 PolarHBondContact O-N 3.1Å; L251-V254 PolarHBondContact O-N 3.33Å; V254-K282 PolarHBondContact O-NZ 2.96Å
255	V	87.7	Confident	87.8	Confident	30 Å²	30	67.9 Å²	67.9	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-86.8	-42.2	-176.7	178.9	0	0	0	0	113	I210 L251 V252 Q253	I210-V255 HydrophobicContact CB-CG2 4.06Å; I210-V255 HydrophobicContact CD1-CG2 4.02Å; I210-V255 HydrophobicContact CG2-CG2 3.9Å; L251-V255 WeakPolarHBondContact O-CG2 3.48Å; L251-V255 PolarHBondContact O-N 3.3Å; V252-V255 PolarHBondContact O-N 3.38Å; Q253-V255 VanDerWaalsContact C-N 3.26Å; Q253-V255 PolarHBondContact O-N 3.49Å
256	H	89.1	Confident	87.9	Confident	147 Å²	147	72.7 Å²	72.7	68%	0.681	39%	0.39	S	S	*	.	H	α-helix	trans	-113.1	-27.6	-165.6	-62	-63.2	0	0	0	115.1	V252	V252-H256 WeakPolarHBondContact O-CB 3.28Å; V252-H256 PolarHBondContact O-N 3.31Å
257	E	92.8	Very high	88	Confident	86 Å²	86	71.5 Å²	71.5	40%	0.402	39%	0.389	S	S	.	.	S	Bend	trans	-81.8	156.9	177.9	-67.7	-179.2	-174	0	0	110.9	Q253 K282	Q253-E257 HydrophobicContact CB-CB 4.31Å; Q253-E257 HydrophobicContact CB-CG 4.31Å; Q253-E257 WeakPolarHBondContact CB-OE2 3.49Å; Q253-E257 VanDerWaalsContact CD-OE2 3.28Å; Q253-E257 VanDerWaalsContact CG-CD 3.46Å; Q253-E257 HydrophobicContact CG-CG 4.39Å; Q253-E257 WeakPolarHBondContact CG-OE2 3.19Å; Q253-E257 PolarHBondContact NE2-OE2 2.65Å; Q253-E257 WeakPolarHBondContact O-CB 3.28Å; Q253-E257 PolarHBondContact O-N 3.03Å; Q253-E257 VanDerWaalsContact O-N 3.11Å; E257-K282 WeakPolarHBondContact O-CE 3.36Å; E257-K282 PolarHBondContact O-NZ 3.48Å
258	P	93.7	Very high	88.6	Confident	119 Å²	119	72.9 Å²	72.9	77%	0.773	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-50.2	146.5	172.2	-27.1	35.6	0	0	0	112
259	S	95.7	Very high	89.1	Confident	29 Å²	29	67.4 Å²	67.4	20%	0.203	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-61.6	145.7	177.3	-67.8	0	0	0	0	111.1	L280 K282	S259-L280 WeakPolarHBondContact CB-O 3.33Å; S259-L280 PolarHBondContact OG-O 2.89Å; S259-K282 WeakPolarHBondContact OG-CD 3.28Å; S259-K282 WeakPolarHBondContact OG-CE 3.44Å
260	P	95.2	Very high	89.6	Confident	26 Å²	26	67 Å²	67	17%	0.169	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-55.7	142.9	172.2	-25.2	35.5	0	0	0	111.1	L229 L232 C240 Y241 L280	L229-P260 HydrophobicContact CD2-CB 4.5Å; L229-P260 HydrophobicContact CD2-CG 3.99Å; L232-P260 HydrophobicContact CD2-CB 3.5Å; L232-P260 VanDerWaalsContact CD2-CB 3.5Å; C240-P260 HydrophobicContact CB-CB 4.24Å; C240-P260 HydrophobicContact CB-CG 4Å; Y241-P260 HydrophobicContact CE2-CG 4.07Å; Y241-P260 WeakPolarHBondContact OH-CD 3.37Å; Y241-P260 WeakPolarHBondContact OH-CG 2.97Å; P260-L280 HydrophobicContact CB-CD1 4.31Å; P260-L280 WeakPolarHBondContact O-CD1 3.36Å
261	Q	95	Very high	90.1	Very high	132 Å²	132	67.7 Å²	67.7	62%	0.617	38%	0.379	S	S	*	.			trans	-131	155.9	180	-68.7	-179.7	-35.4	0	0	109.9
262	L	94.7	Very high	90.7	Very high	5 Å²	5	66.2 Å²	66.2	3%	0.026	37%	0.372	C	S	.	.			trans	-59.8	139.9	166.7	-86	174.2	0	0	0	110.2	L232 A235 T236 Y268 L272 R273 I276	L232-L262 HydrophobicContact CD1-CB 4.4Å; L232-L262 HydrophobicContact CD1-CD2 3.52Å; L232-L262 HydrophobicContact CD1-CG 3.76Å; A235-L262 HydrophobicContact CB-CD2 3.92Å; T236-L262 HydrophobicContact CG2-CD2 3.94Å; L262-Y268 HydrophobicContact CD1-CD1 4.41Å; L262-Y268 HydrophobicContact CD1-CG 4.09Å; L262-Y268 HydrophobicContact CD2-CD1 4.12Å; L262-Y268 HydrophobicContact CD2-CD2 4.07Å; L262-Y268 HydrophobicContact CD2-CE1 4.09Å; L262-Y268 HydrophobicContact CD2-CE2 4.06Å; L262-Y268 HydrophobicContact CD2-CG 4.1Å; L262-L272 HydrophobicContact CD1-CD2 3.9Å; L262-L272 HydrophobicContact CD1-CG 3.81Å; L262-R273 HydrophobicContact CD1-CB 4.36Å; L262-R273 PolarHBondContact O-NH1 3.35Å; L262-I276 HydrophobicContact CD1-CD1 3.64Å; L262-I276 HydrophobicContact CD2-CD1 4.2Å; L262-I276 HydrophobicContact CG-CD1 3.7Å
263	P	92.3	Very high	91.3	Very high	69 Å²	69	66.1 Å²	66.1	45%	0.448	37%	0.366	S	S	.	.			trans	-54.2	147.6	172.5	-24.5	33.6	0	0	0	111.8	T236 S265 R273	T236-P263 HydrophobicContact CG2-CG 4.38Å; P263-S265 VanDerWaalsContact C-N 3.29Å; P263-S265 PolarHBondContact O-N 3.04Å; P263-R273 PolarHBondContact O-NH2 2.96Å
264	E	86.5	Confident	91.7	Very high	197 Å²	197	69.4 Å²	69.4	92%	0.921	38%	0.379	S	S	*	.	S	Bend	trans	-66.5	90.9	169.7	-68	-170.5	175.5	0	0	109.1
265	S	81.6	Confident	92.1	Very high	49 Å²	49	69.5 Å²	69.5	34%	0.343	38%	0.38	S	S	.	.			trans	-141.8	137.4	177.5	178	0	0	0	0	109.1	P263 C267 Y268	P263-S265 VanDerWaalsContact C-N 3.29Å; P263-S265 PolarHBondContact O-N 3.04Å; S265-C267 PolarHBondContact O-N 3.42Å; S265-C267 PolarHBondContact OG-N 2.78Å; S265-C267 PolarHBondContact OG-SG 3.49Å; S265-Y268 PolarHBondContact O-N 3.18Å
266	S	75.5	Confident	92.6	Very high	134 Å²	134	68.1 Å²	68.1	94%	0.937	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-7.3	176.2	54.6	0	0	0	0	113.4	Y268	S266-Y268 VanDerWaalsContact C-N 3.31Å
267	C	85.2	Confident	93.1	Very high	78 Å²	78	63.4 Å²	63.4	53%	0.527	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-19.3	176	69.9	0	0	0	0	113.7	S265	S265-C267 PolarHBondContact O-N 3.42Å; S265-C267 PolarHBondContact OG-N 2.78Å; S265-C267 PolarHBondContact OG-SG 3.49Å
268	Y	91.6	Very high	93.3	Very high	45 Å²	45	61.1 Å²	61.1	18%	0.176	35%	0.345	C	S	.	.	S	Bend	trans	-99.2	125.2	179.3	-58.3	-63.9	0	0	0	110.4	A235 L262 S265 S266 L272	A235-Y268 HydrophobicContact CB-CE1 4.07Å; A235-Y268 WeakPolarHBondContact O-CE1 3.42Å; A235-Y268 PolarHBondContact O-OH 3.14Å; L262-Y268 HydrophobicContact CD1-CD1 4.41Å; L262-Y268 HydrophobicContact CD1-CG 4.09Å; L262-Y268 HydrophobicContact CD2-CD1 4.12Å; L262-Y268 HydrophobicContact CD2-CD2 4.07Å; L262-Y268 HydrophobicContact CD2-CE1 4.09Å; L262-Y268 HydrophobicContact CD2-CE2 4.06Å; L262-Y268 HydrophobicContact CD2-CG 4.1Å; S265-Y268 PolarHBondContact O-N 3.18Å; S266-Y268 VanDerWaalsContact C-N 3.31Å; Y268-L272 HydrophobicContact CD1-CD2 4.08Å
269	P	94	Very high	93.6	Very high	39 Å²	39	55.4 Å²	55.4	25%	0.253	31%	0.308	S	S	.	.			trans	-66.8	149.7	176.9	31	-36.8	0	0	0	110.5	T139 S271 L272 R273	T139-P269 HydrophobicContact CG2-CG 3.68Å; P269-S271 PolarHBondContact O-N 3.01Å; P269-L272 HydrophobicContact CG-CB 3.8Å; P269-L272 PolarHBondContact O-N 3.06Å; P269-L272 VanDerWaalsContact O-N 3.17Å; P269-R273 PolarHBondContact O-N 3.41Å
270	N	95.3	Very high	93.7	Very high	94 Å²	94	54.2 Å²	54.2	50%	0.503	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-30.2	179.5	-166.7	33.2	0	0	0	112.5	R273 K274	N270-R273 PolarHBondContact O-N 3.47Å; N270-K274 WeakPolarHBondContact ND2-CE 3.23Å; N270-K274 WeakPolarHBondContact O-CG 3.31Å; N270-K274 PolarHBondContact O-N 2.84Å
271	S	97.1	Very high	93.7	Very high	22 Å²	22	56.7 Å²	56.7	15%	0.154	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-44.4	175.6	54.9	0	0	0	0	112.2	P269 K274 F275	P269-S271 PolarHBondContact O-N 3.01Å; S271-K274 PolarHBondContact O-N 2.97Å; S271-F275 WeakPolarHBondContact O-CB 3.28Å; S271-F275 PolarHBondContact O-N 3.04Å
272	L	97.6	Very high	93.6	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-63.7	-42	175.2	175.8	64.2	0	0	0	111.6	L142 V231 A235 L262 Y268 P269 F275 I276 F298	L142-L272 HydrophobicContact CD2-CD1 4Å; L142-L272 HydrophobicContact CD2-CD2 3.86Å; V231-L272 HydrophobicContact CG1-CD1 3.79Å; A235-L272 HydrophobicContact CB-CD2 4.39Å; L262-L272 HydrophobicContact CD1-CD2 3.9Å; L262-L272 HydrophobicContact CD1-CG 3.81Å; Y268-L272 HydrophobicContact CD1-CD2 4.08Å; P269-L272 HydrophobicContact CG-CB 3.8Å; P269-L272 PolarHBondContact O-N 3.06Å; P269-L272 VanDerWaalsContact O-N 3.17Å; L272-F275 WeakPolarHBondContact O-CB 3.47Å; L272-F275 PolarHBondContact O-N 3.41Å; L272-I276 HydrophobicContact CD1-CD1 3.86Å; L272-I276 HydrophobicContact CD1-CG1 4.23Å; L272-I276 HydrophobicContact CG-CD1 4.01Å; L272-I276 WeakPolarHBondContact O-CG1 3.32Å; L272-I276 PolarHBondContact O-N 2.79Å; L272-F298 HydrophobicContact CB-CD2 3.9Å; L272-F298 HydrophobicContact CB-CE2 3.78Å; L272-F298 HydrophobicContact CB-CZ 4.3Å; L272-F298 HydrophobicContact CD1-CD1 4.23Å; L272-F298 HydrophobicContact CD1-CD2 4.44Å; L272-F298 HydrophobicContact CD1-CE1 3.69Å; L272-F298 HydrophobicContact CD1-CE2 3.93Å; L272-F298 HydrophobicContact CD1-CZ 3.53Å; L272-F298 HydrophobicContact CG-CE2 4.35Å; L272-F298 HydrophobicContact CG-CZ 4.39Å
273	R	97.4	Very high	93.5	Very high	49 Å²	49	56.8 Å²	56.8	19%	0.185	31%	0.311	C	S	.	.	H	α-helix	trans	-59.1	-53.8	176.3	179.7	178.6	-60.1	-76.1	-5.7	111.4	L262 P263 P269 N270 F275 I276 D277	L262-R273 HydrophobicContact CD1-CB 4.36Å; L262-R273 PolarHBondContact O-NH1 3.35Å; P263-R273 PolarHBondContact O-NH2 2.96Å; P269-R273 PolarHBondContact O-N 3.41Å; N270-R273 PolarHBondContact O-N 3.47Å; R273-F275 VanDerWaalsContact C-N 3.25Å; R273-F275 PolarHBondContact O-N 3.31Å; R273-I276 PolarHBondContact O-N 3.26Å; R273-D277 WeakPolarHBondContact CG-OD2 3.36Å; R273-D277 WeakPolarHBondContact O-CB 3.49Å; R273-D277 PolarHBondContact O-N 3.27Å
274	K	97.6	Very high	93.6	Very high	104 Å²	104	56.5 Å²	56.5	45%	0.452	30%	0.303	S	S	.	.	H	α-helix	trans	-57	-40.1	176.7	-70.1	176.6	-171.4	169	0	112.1	N270 S271 S278 E297	N270-K274 WeakPolarHBondContact ND2-CE 3.23Å; N270-K274 WeakPolarHBondContact O-CG 3.31Å; N270-K274 PolarHBondContact O-N 2.84Å; S271-K274 PolarHBondContact O-N 2.97Å; K274-S278 VanDerWaalsContact O-CB 3.28Å; K274-S278 WeakPolarHBondContact O-CB 3.38Å; K274-S278 PolarHBondContact O-N 2.88Å; K274-S278 PolarHBondContact O-OG 3.27Å; K274-E297 IonicContact NZ-OE2 3.49Å; K274-E297 PolarHBondContact NZ-OE2 3.46Å
275	F	98.7	Very high	93.8	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-54.1	177.2	-177.6	-86.2	0	0	0	111.2	V146 V150 L227 V231 S271 L272 R273 S278 C279 L293 S296 F298 L299	V146-F275 HydrophobicContact CG1-CE1 3.64Å; V146-F275 HydrophobicContact CG1-CE2 4.25Å; V146-F275 HydrophobicContact CG1-CZ 3.4Å; V146-F275 VanDerWaalsContact CG1-CZ 3.4Å; V150-F275 HydrophobicContact CG2-CZ 4.38Å; L227-F275 HydrophobicContact CD2-CZ 4.29Å; V231-F275 HydrophobicContact CG2-CE1 4.27Å; S271-F275 WeakPolarHBondContact O-CB 3.28Å; S271-F275 PolarHBondContact O-N 3.04Å; L272-F275 WeakPolarHBondContact O-CB 3.47Å; L272-F275 PolarHBondContact O-N 3.41Å; R273-F275 VanDerWaalsContact C-N 3.25Å; R273-F275 PolarHBondContact O-N 3.31Å; F275-S278 PolarHBondContact O-N 3.05Å; F275-S278 PolarHBondContact O-OG 2.91Å; F275-C279 PolarHBondContact O-N 2.98Å; F275-C279 VanDerWaalsContact O-N 3.14Å; F275-C279 PolarHBondContact O-SG 2.96Å; F275-L293 HydrophobicContact CD2-CD2 4.08Å; F275-L293 HydrophobicContact CE2-CB 4.1Å; F275-L293 HydrophobicContact CE2-CD2 3.49Å; F275-L293 VanDerWaalsContact CE2-CD2 3.49Å; F275-L293 HydrophobicContact CE2-CG 4.37Å; F275-L293 HydrophobicContact CZ-CD2 3.73Å; F275-S296 WeakPolarHBondContact CD2-OG 3.44Å; F275-F298 HydrophobicContact CB-CB 3.95Å; F275-F298 HydrophobicContact CB-CD1 4.16Å; F275-F298 HydrophobicContact CB-CG 4.27Å; F275-F298 HydrophobicContact CD1-CD1 4.28Å; F275-F298 HydrophobicContact CD2-CB 4.15Å; F275-F298 HydrophobicContact CD2-CD1 4.08Å; F275-F298 HydrophobicContact CG-CB 4.28Å; F275-F298 AromaticContact CG-CD1 3.91Å; F275-F298 HydrophobicContact CG-CD1 3.91Å; F275-F298 HydrophobicContact CG-CG 4.45Å; F275-L299 HydrophobicContact CD2-CG 4.4Å; F275-L299 HydrophobicContact CE2-CD1 3.6Å; F275-L299 HydrophobicContact CE2-CG 3.91Å; F275-L299 HydrophobicContact CZ-CD1 4.06Å
276	I	98.6	Very high	94.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-47.1	179	-69.9	168.6	0	0	0	110.9	V231 L232 L262 L272 R273 S278 C279 L280	V231-I276 HydrophobicContact CB-CG1 4.26Å; V231-I276 HydrophobicContact CG1-CD1 4.04Å; V231-I276 HydrophobicContact CG1-CG1 4Å; L232-I276 HydrophobicContact CB-CD1 4.27Å; L232-I276 HydrophobicContact CB-CG2 4.2Å; L232-I276 HydrophobicContact CD1-CD1 4.39Å; L232-I276 HydrophobicContact CD2-CG2 4.41Å; L262-I276 HydrophobicContact CD1-CD1 3.64Å; L262-I276 HydrophobicContact CD2-CD1 4.2Å; L262-I276 HydrophobicContact CG-CD1 3.7Å; L272-I276 HydrophobicContact CD1-CD1 3.86Å; L272-I276 HydrophobicContact CD1-CG1 4.23Å; L272-I276 HydrophobicContact CG-CD1 4.01Å; L272-I276 WeakPolarHBondContact O-CG1 3.32Å; L272-I276 PolarHBondContact O-N 2.79Å; R273-I276 PolarHBondContact O-N 3.26Å; I276-S278 VanDerWaalsContact C-N 3.29Å; I276-S278 PolarHBondContact O-N 3.23Å; I276-C279 WeakPolarHBondContact O-CB 3.44Å; I276-C279 PolarHBondContact O-N 3.11Å; I276-L280 HydrophobicContact CG2-CD1 3.63Å; I276-L280 HydrophobicContact CG2-CG 4.25Å; I276-L280 WeakPolarHBondContact O-CG 3.44Å; I276-L280 PolarHBondContact O-N 3.33Å
277	D	98.3	Very high	95.6	Very high	49 Å²	49	48.1 Å²	48.1	26%	0.262	25%	0.25	S	C	.	.	H	α-helix	trans	-60.3	-40.1	-179.5	-68.1	-16.8	0	0	0	111.2	R273 C279 L280 M281	R273-D277 WeakPolarHBondContact CG-OD2 3.36Å; R273-D277 WeakPolarHBondContact O-CB 3.49Å; R273-D277 PolarHBondContact O-N 3.27Å; D277-C279 VanDerWaalsContact C-N 3.31Å; D277-C279 PolarHBondContact O-N 2.98Å; D277-L280 PolarHBondContact O-N 3.44Å; D277-M281 PolarHBondContact O-N 3.42Å
278	S	98.5	Very high	96.2	Very high	37 Å²	37	45.2 Å²	45.2	26%	0.259	23%	0.23	S	C	.	.	H	α-helix	trans	-65.5	-33.3	176.1	77.8	0	0	0	0	112.9	K274 F275 I276 M281 P288	K274-S278 VanDerWaalsContact O-CB 3.28Å; K274-S278 WeakPolarHBondContact O-CB 3.38Å; K274-S278 PolarHBondContact O-N 2.88Å; K274-S278 PolarHBondContact O-OG 3.27Å; F275-S278 PolarHBondContact O-N 3.05Å; F275-S278 PolarHBondContact O-OG 2.91Å; I276-S278 VanDerWaalsContact C-N 3.29Å; I276-S278 PolarHBondContact O-N 3.23Å; S278-M281 WeakPolarHBondContact O-CG 3.46Å; S278-P288 WeakPolarHBondContact O-CD 3.48Å
279	C	98.6	Very high	96.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-73.5	-34.1	176.7	-66.3	0	0	0	0	111.9	V224 F275 I276 D277 M281 R287 L293	V224-C279 HydrophobicContact CG1-CB 4Å; V224-C279 WeakPolarHBondContact O-CB 3.34Å; F275-C279 PolarHBondContact O-N 2.98Å; F275-C279 VanDerWaalsContact O-N 3.14Å; F275-C279 PolarHBondContact O-SG 2.96Å; I276-C279 WeakPolarHBondContact O-CB 3.44Å; I276-C279 PolarHBondContact O-N 3.11Å; D277-C279 VanDerWaalsContact C-N 3.31Å; D277-C279 PolarHBondContact O-N 2.98Å; C279-M281 VanDerWaalsContact C-N 3.33Å; C279-M281 PolarHBondContact O-N 3.08Å; C279-R287 VanDerWaalsContact O-CD 3.27Å; C279-R287 WeakPolarHBondContact O-CD 3.33Å; C279-L293 VanDerWaalsContact SG-CD2 3.58Å
280	L	97.9	Very high	96.6	Very high	3 Å²	3	44 Å²	44	2%	0.016	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	24.7	-174.1	-61.6	-178.5	0	0	0	113.4	W225 L229 L232 S259 P260 I276 D277 K282	W225-L280 HydrophobicContact CD2-CD2 4.04Å; W225-L280 HydrophobicContact CE3-CD2 4.14Å; W225-L280 HydrophobicContact CG-CD2 4.47Å; W225-L280 HydrophobicContact CZ3-CB 4.41Å; W225-L280 HydrophobicContact CZ3-CD2 4.45Å; W225-L280 WeakPolarHBondContact CZ3-O 3.35Å; L229-L280 HydrophobicContact CD2-CD1 4.2Å; L229-L280 HydrophobicContact CD2-CD2 3.69Å; L229-L280 HydrophobicContact CG-CD2 3.76Å; L232-L280 HydrophobicContact CD2-CD1 4.1Å; S259-L280 WeakPolarHBondContact CB-O 3.33Å; S259-L280 PolarHBondContact OG-O 2.89Å; P260-L280 HydrophobicContact CB-CD1 4.31Å; P260-L280 WeakPolarHBondContact O-CD1 3.36Å; I276-L280 HydrophobicContact CG2-CD1 3.63Å; I276-L280 HydrophobicContact CG2-CG 4.25Å; I276-L280 WeakPolarHBondContact O-CG 3.44Å; I276-L280 PolarHBondContact O-N 3.33Å; D277-L280 PolarHBondContact O-N 3.44Å; L280-K282 PolarHBondContact O-N 3.44Å
281	M	97.1	Very high	96.6	Very high	78 Å²	78	42.4 Å²	42.4	38%	0.384	22%	0.218	S	C	.	.			trans	-65.6	130.3	169.6	-63.3	-63.5	-76.9	0	0	110.3	D277 S278 C279 D286 R287	D277-M281 PolarHBondContact O-N 3.42Å; S278-M281 WeakPolarHBondContact O-CG 3.46Å; C279-M281 VanDerWaalsContact C-N 3.33Å; C279-M281 PolarHBondContact O-N 3.08Å; M281-D286 HydrophobicContact CB-CB 4.08Å; M281-D286 HydrophobicContact CE-CB 3.91Å; M281-D286 HydrophobicContact CG-CB 4.29Å; M281-R287 HydrophobicContact CB-CG 3.87Å; M281-R287 PolarHBondContact O-NE 3.46Å; M281-R287 PolarHBondContact O-NH2 3.3Å; M281-R287 VanDerWaalsContact O-NH2 3.1Å
282	K	92.9	Very high	96.7	Very high	63 Å²	63	45.9 Å²	45.9	27%	0.274	23%	0.231	S	C	.	.	S	Bend	trans	-63.1	-45.8	-178.5	-67.3	-64.9	-170.4	-178.6	0	111.6	P207 W225 V254 E257 S259 L280 K284 R287	P207-K282 HydrophobicContact CG-CD 4.1Å; W225-K282 HydrophobicContact CH2-CD 3.92Å; W225-K282 HydrophobicContact CZ3-CD 4.08Å; V254-K282 PolarHBondContact O-NZ 2.96Å; E257-K282 WeakPolarHBondContact O-CE 3.36Å; E257-K282 PolarHBondContact O-NZ 3.48Å; S259-K282 WeakPolarHBondContact OG-CD 3.28Å; S259-K282 WeakPolarHBondContact OG-CE 3.44Å; L280-K282 PolarHBondContact O-N 3.44Å; K282-K284 PolarHBondContact O-N 2.85Å; K282-R287 PolarHBondContact O-NH2 2.97Å; K282-R287 VanDerWaalsContact O-NH2 3.15Å
283	N	92.6	Very high	96.8	Very high	76 Å²	76	45.9 Å²	45.9	41%	0.406	23%	0.231	S	C	.	.	S	Bend	trans	-72.6	121.7	171.3	179	12.3	0	0	0	109.4	D285 D286	N283-D285 PolarHBondContact O-N 3.33Å; N283-D285 PolarHBondContact OD1-N 2.71Å; N283-D286 HydrophobicContact CB-CB 4.47Å; N283-D286 VanDerWaalsContact CB-OD2 3.23Å; N283-D286 WeakPolarHBondContact CB-OD2 3.49Å; N283-D286 PolarHBondContact ND2-OD2 3.01Å; N283-D286 PolarHBondContact O-N 2.66Å
284	K	92.5	Very high	96.8	Very high	63 Å²	63	45.7 Å²	45.7	27%	0.274	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-63.6	-28.5	-176.7	73.2	-176	-173.1	177.1	0	112.9	E208 R221 K282 D286 R287	E208-K284 HydrophobicContact CB-CD 4.3Å; E208-K284 HydrophobicContact CG-CB 4.4Å; E208-K284 HydrophobicContact CG-CD 3.98Å; R221-K284 HydrophobicContact CB-CB 4.11Å; R221-K284 WeakPolarHBondContact CB-O 3.36Å; R221-K284 WeakPolarHBondContact CG-O 3.47Å; R221-K284 PolarHBondContact NH1-O 3.02Å; K282-K284 PolarHBondContact O-N 2.85Å; K284-D286 VanDerWaalsContact C-N 3.3Å; K284-R287 PolarHBondContact O-N 3.43Å
285	D	92.5	Very high	96.8	Very high	106 Å²	106	47.2 Å²	47.2	57%	0.567	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-76	-23.1	-176.1	-61.5	-35.2	0	0	0	111.7	R221 N283	R221-D285 VanDerWaalsContact NH1-C 3.27Å; R221-D285 PolarHBondContact NH1-O 2.69Å; N283-D285 PolarHBondContact O-N 3.33Å; N283-D285 PolarHBondContact OD1-N 2.71Å
286	D	96.5	Very high	96.8	Very high	96 Å²	96	48.2 Å²	48.2	51%	0.513	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-81.8	-12.3	175.8	-62	-34.1	0	0	0	113.3	M281 N283 K284	M281-D286 HydrophobicContact CB-CB 4.08Å; M281-D286 HydrophobicContact CE-CB 3.91Å; M281-D286 HydrophobicContact CG-CB 4.29Å; N283-D286 HydrophobicContact CB-CB 4.47Å; N283-D286 VanDerWaalsContact CB-OD2 3.23Å; N283-D286 WeakPolarHBondContact CB-OD2 3.49Å; N283-D286 PolarHBondContact ND2-OD2 3.01Å; N283-D286 PolarHBondContact O-N 2.66Å; K284-D286 VanDerWaalsContact C-N 3.3Å
287	R	97.3	Very high	96.8	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.011	28%	0.275	C	S	.	.	S	Bend	trans	-71	151.9	174.2	-61.6	177.4	-160.3	143.4	12.5	110	E208 R221 V224 C279 M281 K282 K284	E208-R287 IonicContact OE1-CZ 3.86Å; E208-R287 IonicContact OE1-NH1 3.48Å; E208-R287 PolarHBondContact OE1-NH1 3.49Å; E208-R287 IonicContact OE1-NH2 2.83Å; E208-R287 IonicContact OE2-CZ 3.55Å; E208-R287 IonicContact OE2-NH1 2.91Å; E208-R287 PolarHBondContact OE2-NH1 2.54Å; E208-R287 IonicContact OE2-NH2 2.8Å; E208-R287 PolarHBondContact OE2-NH2 3.24Å; R221-R287 PolarHBondContact NE-O 2.75Å; R221-R287 PolarHBondContact NH1-O 3.42Å; R221-R287 PolarHBondContact NH2-O 3.29Å; R221-R287 WeakPolarHBondContact O-CD 3.29Å; R221-R287 PolarHBondContact O-NH1 3.18Å; V224-R287 HydrophobicContact CG1-CB 4.1Å; C279-R287 VanDerWaalsContact O-CD 3.27Å; C279-R287 WeakPolarHBondContact O-CD 3.33Å; M281-R287 HydrophobicContact CB-CG 3.87Å; M281-R287 PolarHBondContact O-NE 3.46Å; M281-R287 PolarHBondContact O-NH2 3.3Å; M281-R287 VanDerWaalsContact O-NH2 3.1Å; K282-R287 PolarHBondContact O-NH2 2.97Å; K282-R287 VanDerWaalsContact O-NH2 3.15Å; K284-R287 PolarHBondContact O-N 3.43Å
288	P	97.3	Very high	96.8	Very high	16 Å²	16	51.8 Å²	51.8	10%	0.104	27%	0.265	C	S	.	.			trans	-70	157.6	170.5	29.3	-35.6	0	0	0	111.8	R221 V224 S278 Q292 L293	R221-P288 VanDerWaalsContact CD-O 3.31Å; R221-P288 WeakPolarHBondContact CD-O 3.33Å; R221-P288 PolarHBondContact NE-O 3.45Å; V224-P288 HydrophobicContact CG1-CG 4.41Å; S278-P288 WeakPolarHBondContact O-CD 3.48Å; P288-Q292 HydrophobicContact CB-CB 3.68Å; P288-L293 HydrophobicContact CB-CD2 4.16Å; P288-L293 HydrophobicContact CB-CG 4.05Å; P288-L293 HydrophobicContact CG-CD1 4.44Å; P288-L293 HydrophobicContact CG-CD2 3.32Å; P288-L293 HydrophobicContact CG-CG 3.65Å
289	N	95.8	Very high	96.8	Very high	55 Å²	55	50.1 Å²	50.1	29%	0.294	25%	0.253	S	S	.	.			trans	-81.3	176	159.7	68.9	22.2	0	0	0	110.6	V291 Q292 L293	N289-V291 PolarHBondContact O-N 3.1Å; N289-V291 PolarHBondContact OD1-N 2.84Å; N289-Q292 PolarHBondContact O-N 2.91Å; N289-Q292 WeakPolarHBondContact OD1-CB 3.03Å; N289-Q292 VanDerWaalsContact OD1-CG 3.26Å; N289-Q292 WeakPolarHBondContact OD1-CG 3.33Å; N289-Q292 PolarHBondContact OD1-N 2.8Å; N289-Q292 PolarHBondContact OD1-OE1 2.87Å; N289-L293 WeakPolarHBondContact O-CG 3.23Å; N289-L293 PolarHBondContact O-N 2.81Å
290	Y	97.7	Very high	96.7	Very high	3 Å²	3	53.5 Å²	53.5	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-36.7	-175.8	-53.4	-57	0	0	0	113.4	L153 E154 H157 I220 D223 V224 Q292 L293 L294	L153-Y290 HydrophobicContact CB-CD1 3.94Å; L153-Y290 HydrophobicContact CB-CD2 4.4Å; L153-Y290 HydrophobicContact CB-CE1 3.61Å; L153-Y290 HydrophobicContact CB-CE2 4.08Å; L153-Y290 HydrophobicContact CB-CG 4.33Å; L153-Y290 HydrophobicContact CD1-CD1 4.45Å; L153-Y290 HydrophobicContact CD1-CE1 3.79Å; L153-Y290 HydrophobicContact CG-CE1 4.29Å; E154-Y290 HydrophobicContact CB-CD2 4.42Å; E154-Y290 HydrophobicContact CB-CG 4.39Å; E154-Y290 WeakPolarHBondContact OE2-CB 3.48Å; H157-Y290 HydrophobicContact CB-CD2 3.99Å; H157-Y290 HydrophobicContact CB-CE2 3.9Å; I220-Y290 HydrophobicContact CB-CE2 3.98Å; I220-Y290 HydrophobicContact CG2-CE2 4.18Å; I220-Y290 PolarHBondContact O-OH 2.87Å; D223-Y290 WeakPolarHBondContact CB-OH 3.33Å; D223-Y290 PolarHBondContact OD2-OH 2.82Å; V224-Y290 HydrophobicContact CG2-CD1 4.07Å; V224-Y290 HydrophobicContact CG2-CE1 3.68Å; Y290-Q292 VanDerWaalsContact C-N 3.34Å; Y290-Q292 PolarHBondContact O-N 2.81Å; Y290-L293 HydrophobicContact CD1-CD1 4.14Å; Y290-L293 WeakPolarHBondContact O-CB 3.37Å; Y290-L293 PolarHBondContact O-N 2.83Å; Y290-L293 VanDerWaalsContact O-N 3.16Å; Y290-L294 WeakPolarHBondContact O-CG 3.22Å; Y290-L294 PolarHBondContact O-N 2.91Å
291	V	97.3	Very high	96.5	Very high	62 Å²	62	59.2 Å²	59.2	38%	0.376	31%	0.312	S	S	.	.	H	α-helix	trans	-58.6	-47.2	174	179.7	0	0	0	0	110.7	N289 L293 L294 E295	N289-V291 PolarHBondContact O-N 3.1Å; N289-V291 PolarHBondContact OD1-N 2.84Å; V291-L293 VanDerWaalsContact C-N 3.31Å; V291-L293 PolarHBondContact O-N 2.82Å; V291-L294 WeakPolarHBondContact O-CB 3.44Å; V291-L294 PolarHBondContact O-N 3.49Å; V291-E295 WeakPolarHBondContact O-CG 3.32Å; V291-E295 PolarHBondContact O-N 2.98Å
292	Q	98.3	Very high	96.5	Very high	95 Å²	95	57.1 Å²	57.1	44%	0.444	30%	0.303	S	S	.	.	H	α-helix	trans	-64.7	-33.3	176.7	-70.4	171.9	-47	0	0	112.8	P288 N289 Y290 E295 S296	P288-Q292 HydrophobicContact CB-CB 3.68Å; N289-Q292 PolarHBondContact O-N 2.91Å; N289-Q292 WeakPolarHBondContact OD1-CB 3.03Å; N289-Q292 VanDerWaalsContact OD1-CG 3.26Å; N289-Q292 WeakPolarHBondContact OD1-CG 3.33Å; N289-Q292 PolarHBondContact OD1-N 2.8Å; N289-Q292 PolarHBondContact OD1-OE1 2.87Å; Y290-Q292 VanDerWaalsContact C-N 3.34Å; Y290-Q292 PolarHBondContact O-N 2.81Å; Q292-E295 PolarHBondContact O-N 3.46Å; Q292-S296 PolarHBondContact O-N 2.92Å
293	L	98.7	Very high	96.7	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-65.5	-43.8	173.1	-73.2	170.9	0	0	0	111.3	V150 V224 L227 F275 C279 P288 N289 Y290 V291 E295 S296 L299	V150-L293 HydrophobicContact CG1-CB 3.93Å; V150-L293 HydrophobicContact CG2-CB 4.42Å; V150-L293 HydrophobicContact CG2-CD1 4.47Å; V224-L293 HydrophobicContact CG1-CD1 4.07Å; V224-L293 HydrophobicContact CG2-CD1 3.9Å; L227-L293 HydrophobicContact CD2-CD1 4.06Å; F275-L293 HydrophobicContact CD2-CD2 4.08Å; F275-L293 HydrophobicContact CE2-CB 4.1Å; F275-L293 HydrophobicContact CE2-CD2 3.49Å; F275-L293 VanDerWaalsContact CE2-CD2 3.49Å; F275-L293 HydrophobicContact CE2-CG 4.37Å; F275-L293 HydrophobicContact CZ-CD2 3.73Å; C279-L293 VanDerWaalsContact SG-CD2 3.58Å; P288-L293 HydrophobicContact CB-CD2 4.16Å; P288-L293 HydrophobicContact CB-CG 4.05Å; P288-L293 HydrophobicContact CG-CD1 4.44Å; P288-L293 HydrophobicContact CG-CD2 3.32Å; P288-L293 HydrophobicContact CG-CG 3.65Å; N289-L293 WeakPolarHBondContact O-CG 3.23Å; N289-L293 PolarHBondContact O-N 2.81Å; Y290-L293 HydrophobicContact CD1-CD1 4.14Å; Y290-L293 WeakPolarHBondContact O-CB 3.37Å; Y290-L293 PolarHBondContact O-N 2.83Å; Y290-L293 VanDerWaalsContact O-N 3.16Å; V291-L293 VanDerWaalsContact C-N 3.31Å; V291-L293 PolarHBondContact O-N 2.82Å; L293-E295 VanDerWaalsContact C-N 3.26Å; L293-E295 PolarHBondContact O-N 2.84Å; L293-S296 WeakPolarHBondContact O-CB 3.45Å; L293-S296 PolarHBondContact O-N 2.9Å; L293-S296 VanDerWaalsContact O-N 3.13Å; L293-S296 PolarHBondContact O-OG 2.9Å; L293-L299 WeakPolarHBondContact O-CD1 3.27Å
294	L	98.4	Very high	96.8	Very high	46 Å²	46	56 Å²	56	24%	0.241	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-34.5	175.8	-67.1	169.6	0	0	0	111.9	L147 V150 E151 Y290 V291 S296 S300	L147-L294 HydrophobicContact CD1-CD2 3.72Å; V150-L294 HydrophobicContact CB-CD2 3.98Å; V150-L294 HydrophobicContact CG1-CD1 4.4Å; V150-L294 HydrophobicContact CG1-CD2 3.63Å; V150-L294 HydrophobicContact CG1-CG 3.62Å; E151-L294 HydrophobicContact CG-CD2 4.2Å; Y290-L294 WeakPolarHBondContact O-CG 3.22Å; Y290-L294 PolarHBondContact O-N 2.91Å; V291-L294 WeakPolarHBondContact O-CB 3.44Å; V291-L294 PolarHBondContact O-N 3.49Å; L294-S296 VanDerWaalsContact C-N 3.27Å; L294-S296 PolarHBondContact O-N 3.34Å; L294-S300 PolarHBondContact O-N 2.8Å
295	E	98.2	Very high	97	Very high	136 Å²	136	61.2 Å²	61.2	64%	0.636	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.2	177	-68.9	174.2	168.1	0	0	113.9	V291 Q292 L293	V291-E295 WeakPolarHBondContact O-CG 3.32Å; V291-E295 PolarHBondContact O-N 2.98Å; Q292-E295 PolarHBondContact O-N 3.46Å; L293-E295 VanDerWaalsContact C-N 3.26Å; L293-E295 PolarHBondContact O-N 2.84Å
296	S	98.5	Very high	97.3	Very high	25 Å²	25	59.1 Å²	59.1	18%	0.175	32%	0.321	C	S	.	.	S	Bend	trans	-63.8	155.2	-178.1	70.5	0	0	0	0	112.7	F275 Q292 L293 L294 F298 L299 S300	F275-S296 WeakPolarHBondContact CD2-OG 3.44Å; Q292-S296 PolarHBondContact O-N 2.92Å; L293-S296 WeakPolarHBondContact O-CB 3.45Å; L293-S296 PolarHBondContact O-N 2.9Å; L293-S296 VanDerWaalsContact O-N 3.13Å; L293-S296 PolarHBondContact O-OG 2.9Å; L294-S296 VanDerWaalsContact C-N 3.27Å; L294-S296 PolarHBondContact O-N 3.34Å; S296-F298 PolarHBondContact O-N 2.79Å; S296-L299 PolarHBondContact O-N 2.88Å; S296-L299 VanDerWaalsContact O-N 3.1Å; S296-L299 PolarHBondContact OG-N 3.07Å; S296-S300 VanDerWaalsContact O-CB 3.23Å; S296-S300 WeakPolarHBondContact O-CB 3.4Å; S296-S300 PolarHBondContact O-N 2.98Å; S296-S300 PolarHBondContact O-OG 2.91Å
297	E	98.1	Very high	97.4	Very high	114 Å²	114	54.8 Å²	54.8	53%	0.533	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-27.7	173.8	-170.1	-174.3	165.7	0	0	112.5	K274	K274-E297 IonicContact NZ-OE2 3.49Å; K274-E297 PolarHBondContact NZ-OE2 3.46Å
298	F	98.2	Very high	97.4	Very high	9 Å²	9	57.1 Å²	57.1	4%	0.039	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-32.7	-179.1	-174.1	-121.2	0	0	0	113.5	T139 L142 A143 V146 L272 F275 S296	T139-F298 HydrophobicContact CG2-CE2 4.12Å; L142-F298 HydrophobicContact CG-CZ 4.46Å; A143-F298 HydrophobicContact CB-CE1 4.12Å; A143-F298 HydrophobicContact CB-CE2 3.93Å; A143-F298 HydrophobicContact CB-CZ 3.63Å; V146-F298 HydrophobicContact CB-CE1 4.3Å; V146-F298 HydrophobicContact CG2-CE1 4.3Å; L272-F298 HydrophobicContact CB-CD2 3.9Å; L272-F298 HydrophobicContact CB-CE2 3.78Å; L272-F298 HydrophobicContact CB-CZ 4.3Å; L272-F298 HydrophobicContact CD1-CD1 4.23Å; L272-F298 HydrophobicContact CD1-CD2 4.44Å; L272-F298 HydrophobicContact CD1-CE1 3.69Å; L272-F298 HydrophobicContact CD1-CE2 3.93Å; L272-F298 HydrophobicContact CD1-CZ 3.53Å; L272-F298 HydrophobicContact CG-CE2 4.35Å; L272-F298 HydrophobicContact CG-CZ 4.39Å; F275-F298 HydrophobicContact CB-CB 3.95Å; F275-F298 HydrophobicContact CB-CD1 4.16Å; F275-F298 HydrophobicContact CB-CG 4.27Å; F275-F298 HydrophobicContact CD1-CD1 4.28Å; F275-F298 HydrophobicContact CD2-CB 4.15Å; F275-F298 HydrophobicContact CD2-CD1 4.08Å; F275-F298 HydrophobicContact CG-CB 4.28Å; F275-F298 AromaticContact CG-CD1 3.91Å; F275-F298 HydrophobicContact CG-CD1 3.91Å; F275-F298 HydrophobicContact CG-CG 4.45Å; S296-F298 PolarHBondContact O-N 2.79Å
299	L	98.6	Very high	97.5	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.016	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-30.7	-173	-59.9	-172	0	0	0	114.2	V146 L147 V150 F275 L293 S296 T301 V302	V146-L299 HydrophobicContact CB-CD2 4.06Å; V146-L299 HydrophobicContact CG1-CD1 4.01Å; V146-L299 HydrophobicContact CG1-CD2 3.92Å; V146-L299 HydrophobicContact CG1-CG 4.49Å; L147-L299 HydrophobicContact CB-CD2 4.38Å; V150-L299 HydrophobicContact CB-CD1 4.44Å; V150-L299 HydrophobicContact CG2-CD1 4.05Å; F275-L299 HydrophobicContact CD2-CG 4.4Å; F275-L299 HydrophobicContact CE2-CD1 3.6Å; F275-L299 HydrophobicContact CE2-CG 3.91Å; F275-L299 HydrophobicContact CZ-CD1 4.06Å; L293-L299 WeakPolarHBondContact O-CD1 3.27Å; S296-L299 PolarHBondContact O-N 2.88Å; S296-L299 VanDerWaalsContact O-N 3.1Å; S296-L299 PolarHBondContact OG-N 3.07Å; L299-T301 PolarHBondContact O-N 3.02Å; L299-V302 WeakPolarHBondContact O-CB 3.44Å; L299-V302 WeakPolarHBondContact O-CG2 3.47Å; L299-V302 PolarHBondContact O-N 2.72Å
300	S	96.6	Very high	97.6	Very high	71 Å²	71	59.6 Å²	59.6	50%	0.497	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23	-172.5	53.2	0	0	0	0	115.3	L294 S296	L294-S300 PolarHBondContact O-N 2.8Å; S296-S300 VanDerWaalsContact O-CB 3.23Å; S296-S300 WeakPolarHBondContact O-CB 3.4Å; S296-S300 PolarHBondContact O-N 2.98Å; S296-S300 PolarHBondContact O-OG 2.91Å
301	T	93.3	Very high	97.6	Very high	122 Å²	122	59.5 Å²	59.5	75%	0.748	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	2.4	179	63.7	0	0	0	0	113.6	L299 D303	L299-T301 PolarHBondContact O-N 3.02Å; T301-D303 PolarHBondContact O-N 3.45Å
302	V	96.6	Very high	97.7	Very high	34 Å²	34	60.7 Å²	60.7	21%	0.206	32%	0.32	C	S	.	.			trans	-78.9	116.6	-178.6	-179	0	0	0	0	109.1	A143 L147 L299	A143-V302 HydrophobicContact CB-CG2 3.65Å; L147-V302 HydrophobicContact CB-CG1 4.48Å; L147-V302 HydrophobicContact CD2-CB 4.05Å; L147-V302 HydrophobicContact CD2-CG1 3.66Å; L299-V302 WeakPolarHBondContact O-CB 3.44Å; L299-V302 WeakPolarHBondContact O-CG2 3.47Å; L299-V302 PolarHBondContact O-N 2.72Å
303	D	96.8	Very high	97.6	Very high	88 Å²	88	60.7 Å²	60.7	47%	0.471	32%	0.322	S	S	.	.			trans	-83.4	119.8	168.2	166.3	70.5	0	0	0	109.8	T301 K305 S306 G307	T301-D303 PolarHBondContact O-N 3.45Å; D303-K305 VanDerWaalsContact C-N 3.25Å; D303-K305 PolarHBondContact O-N 3.21Å; D303-K305 PolarHBondContact OD2-N 2.97Å; D303-S306 WeakPolarHBondContact CB-OG 3.47Å; D303-S306 PolarHBondContact O-N 2.74Å; D303-S306 PolarHBondContact O-OG 3.22Å; D303-S306 VanDerWaalsContact O-OG 3.08Å; D303-S306 VanDerWaalsContact OD2-CB 3.3Å; D303-S306 WeakPolarHBondContact OD2-CB 3.43Å; D303-S306 PolarHBondContact OD2-N 2.74Å; D303-S306 PolarHBondContact OD2-OG 2.84Å; D303-G307 PolarHBondContact O-N 2.83Å
304	A	95.9	Very high	97.6	Very high	28 Å²	28	61.6 Å²	61.6	23%	0.231	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-30.4	-172.6	0	0	0	0	0	113.4	Y144 L147 Q308	Y144-A304 VanDerWaalsContact CE2-O 3.26Å; Y144-A304 WeakPolarHBondContact CE2-O 3.26Å; L147-A304 HydrophobicContact CD2-CB 4.2Å; A304-Q308 WeakPolarHBondContact O-CB 3.38Å; A304-Q308 PolarHBondContact O-N 2.78Å
305	K	97.2	Very high	97.5	Very high	172 Å²	172	59.4 Å²	59.4	75%	0.748	32%	0.315	S	S	*	.	H	α-helix	trans	-73.3	-49.7	-179.7	-71.2	-178.3	179.4	176.8	0	111.6	D303 Q308 E309	D303-K305 VanDerWaalsContact C-N 3.25Å; D303-K305 PolarHBondContact O-N 3.21Å; D303-K305 PolarHBondContact OD2-N 2.97Å; K305-Q308 PolarHBondContact O-N 2.9Å; K305-E309 PolarHBondContact O-N 3Å; K305-E309 VanDerWaalsContact O-N 3.07Å
306	S	97.8	Very high	97.4	Very high	63 Å²	63	55.3 Å²	55.3	44%	0.441	30%	0.304	S	S	.	.	H	α-helix	trans	-66	-40.7	176.5	54.4	0	0	0	0	111.8	D303 Q308 E309 S310	D303-S306 WeakPolarHBondContact CB-OG 3.47Å; D303-S306 PolarHBondContact O-N 2.74Å; D303-S306 PolarHBondContact O-OG 3.22Å; D303-S306 VanDerWaalsContact O-OG 3.08Å; D303-S306 VanDerWaalsContact OD2-CB 3.3Å; D303-S306 WeakPolarHBondContact OD2-CB 3.43Å; D303-S306 PolarHBondContact OD2-N 2.74Å; D303-S306 PolarHBondContact OD2-OG 2.84Å; S306-Q308 VanDerWaalsContact C-N 3.35Å; S306-Q308 PolarHBondContact O-N 2.87Å; S306-E309 PolarHBondContact O-N 2.86Å; S306-S310 PolarHBondContact O-N 2.79Å
307	G	98.1	Very high	97.1	Very high	5 Å²	5	59.1 Å²	59.1	5%	0.052	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-42.9	173.4	0	0	0	0	0	112.8	D303 E309 S310 F311	D303-G307 PolarHBondContact O-N 2.83Å; G307-E309 VanDerWaalsContact C-N 3.34Å; G307-E309 PolarHBondContact O-N 2.85Å; G307-S310 PolarHBondContact O-N 3.09Å; G307-F311 WeakPolarHBondContact O-CB 3.34Å; G307-F311 PolarHBondContact O-N 2.89Å
308	Q	98.5	Very high	96.9	Very high	51 Å²	51	54 Å²	54	24%	0.238	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-43.3	174.9	-178.6	168.1	-13.3	0	0	111.6	Y144 H176 A304 K305 S306 F311 R312	Y144-Q308 VanDerWaalsContact CD2-N 3.35Å; Y144-Q308 HydrophobicContact CE1-CB 4.3Å; Y144-Q308 HydrophobicContact CE2-CB 3.68Å; Y144-Q308 VanDerWaalsContact CE2-N 3.35Å; Y144-Q308 VanDerWaalsContact CZ-CA 3.45Å; Y144-Q308 WeakPolarHBondContact OH-CB 3.27Å; Y144-Q308 WeakPolarHBondContact OH-CG 3.43Å; H176-Q308 PolarHBondContact O-NE2 2.99Å; A304-Q308 WeakPolarHBondContact O-CB 3.38Å; A304-Q308 PolarHBondContact O-N 2.78Å; K305-Q308 PolarHBondContact O-N 2.9Å; S306-Q308 VanDerWaalsContact C-N 3.35Å; S306-Q308 PolarHBondContact O-N 2.87Å; Q308-F311 PolarHBondContact O-N 2.95Å; Q308-R312 VanDerWaalsContact O-CB 3.32Å; Q308-R312 WeakPolarHBondContact O-CB 3.44Å; Q308-R312 PolarHBondContact O-N 3.07Å
309	E	98.4	Very high	96.5	Very high	84 Å²	84	54.2 Å²	54.2	39%	0.393	30%	0.3	S	S	.	.	H	α-helix	trans	-67.8	-44	179	-178.4	60.6	-171.8	0	0	112	K305 S306 G307 F311 R312 I313	K305-E309 PolarHBondContact O-N 3Å; K305-E309 VanDerWaalsContact O-N 3.07Å; S306-E309 PolarHBondContact O-N 2.86Å; G307-E309 VanDerWaalsContact C-N 3.34Å; G307-E309 PolarHBondContact O-N 2.85Å; E309-F311 VanDerWaalsContact C-N 3.31Å; E309-F311 PolarHBondContact O-N 3.32Å; E309-R312 WeakPolarHBondContact O-CB 3.48Å; E309-R312 PolarHBondContact O-N 2.96Å; E309-R312 IonicContact OE1-CZ 3.44Å; E309-R312 IonicContact OE1-NE 2.8Å; E309-R312 PolarHBondContact OE1-NE 2.86Å; E309-R312 IonicContact OE1-NH2 3.92Å; E309-R312 PolarHBondContact OE1-NH2 2.77Å; E309-R312 IonicContact OE2-CZ 2.68Å; E309-R312 IonicContact OE2-NE 2.68Å; E309-R312 PolarHBondContact OE2-NE 2.82Å; E309-R312 IonicContact OE2-NH2 2.78Å; E309-I313 HydrophobicContact CG-CD1 4.18Å; E309-I313 WeakPolarHBondContact O-CG1 3.26Å; E309-I313 PolarHBondContact O-N 2.94Å
310	S	98.3	Very high	95.6	Very high	40 Å²	40	57.9 Å²	57.9	28%	0.28	32%	0.319	S	S	.	.	H	α-helix	trans	-55.4	-47.1	171.9	-82.9	0	0	0	0	111.3	D140 S306 G307 I313 F314	D140-S310 VanDerWaalsContact OD2-CB 3.24Å; D140-S310 WeakPolarHBondContact OD2-CB 3.41Å; D140-S310 PolarHBondContact OD2-OG 3.21Å; S306-S310 PolarHBondContact O-N 2.79Å; G307-S310 PolarHBondContact O-N 3.09Å; S310-I313 PolarHBondContact O-N 3.33Å; S310-F314 WeakPolarHBondContact O-CB 3.42Å; S310-F314 PolarHBondContact O-N 3.41Å
311	F	98.6	Very high	94.3	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-68	-38.3	179.3	-177.4	-130	0	0	0	112.3	L123 L126 V141 Y144 I145 A173 G177 V179 G307 Q308 E309 I313 F314 L315	L123-F311 HydrophobicContact CD2-CZ 4.15Å; L126-F311 HydrophobicContact CD2-CE2 3.77Å; L126-F311 HydrophobicContact CD2-CZ 3.85Å; V141-F311 HydrophobicContact CG1-CB 4.38Å; V141-F311 HydrophobicContact CG1-CD2 3.43Å; V141-F311 VanDerWaalsContact CG1-CD2 3.43Å; V141-F311 HydrophobicContact CG1-CE2 4.12Å; V141-F311 HydrophobicContact CG1-CG 4.27Å; Y144-F311 HydrophobicContact CD1-CB 3.7Å; Y144-F311 HydrophobicContact CD1-CD1 4.12Å; Y144-F311 HydrophobicContact CD1-CG 4.16Å; Y144-F311 HydrophobicContact CE1-CB 4.08Å; Y144-F311 AromaticContact CE1-CD1 3.94Å; Y144-F311 HydrophobicContact CE1-CD1 3.94Å; Y144-F311 HydrophobicContact CE1-CG 4.38Å; I145-F311 HydrophobicContact CD1-CD2 4.19Å; I145-F311 HydrophobicContact CD1-CE2 3.81Å; I145-F311 HydrophobicContact CD1-CZ 4.21Å; I145-F311 HydrophobicContact CG1-CD2 4.39Å; I145-F311 HydrophobicContact CG1-CE2 4.22Å; I145-F311 HydrophobicContact CG1-CZ 4.3Å; A173-F311 HydrophobicContact CB-CE1 3.67Å; A173-F311 HydrophobicContact CB-CZ 3.76Å; G177-F311 WeakPolarHBondContact O-CD1 3.19Å; V179-F311 HydrophobicContact CG2-CD1 3.62Å; V179-F311 HydrophobicContact CG2-CE1 3.29Å; V179-F311 HydrophobicContact CG2-CZ 4.13Å; G307-F311 WeakPolarHBondContact O-CB 3.34Å; G307-F311 PolarHBondContact O-N 2.89Å; Q308-F311 PolarHBondContact O-N 2.95Å; E309-F311 VanDerWaalsContact C-N 3.31Å; E309-F311 PolarHBondContact O-N 3.32Å; F311-I313 VanDerWaalsContact C-N 3.34Å; F311-I313 PolarHBondContact O-N 3.33Å; F311-F314 HydrophobicContact CD2-CD1 4.04Å; F311-F314 HydrophobicContact CE2-CD1 4.12Å; F311-F314 PolarHBondContact O-N 2.81Å; F311-L315 HydrophobicContact CE1-CD2 4.19Å; F311-L315 HydrophobicContact CE2-CB 4.32Å; F311-L315 HydrophobicContact CZ-CB 4.5Å; F311-L315 HydrophobicContact CZ-CD2 4.21Å; F311-L315 WeakPolarHBondContact O-CB 3.38Å; F311-L315 PolarHBondContact O-N 3.39Å
312	R	97.9	Very high	93	Very high	87 Å²	87	62.2 Å²	62.2	33%	0.328	33%	0.333	S	S	.	.	H	α-helix	trans	-57.6	-47.1	174.4	-169	-168.4	66.9	70.7	1	111.5	C175 Q308 E309 L315 A316	C175-R312 VanDerWaalsContact O-CG 3.31Å; C175-R312 WeakPolarHBondContact O-CG 3.37Å; Q308-R312 VanDerWaalsContact O-CB 3.32Å; Q308-R312 WeakPolarHBondContact O-CB 3.44Å; Q308-R312 PolarHBondContact O-N 3.07Å; E309-R312 WeakPolarHBondContact O-CB 3.48Å; E309-R312 PolarHBondContact O-N 2.96Å; E309-R312 IonicContact OE1-CZ 3.44Å; E309-R312 IonicContact OE1-NE 2.8Å; E309-R312 PolarHBondContact OE1-NE 2.86Å; E309-R312 IonicContact OE1-NH2 3.92Å; E309-R312 PolarHBondContact OE1-NH2 2.77Å; E309-R312 IonicContact OE2-CZ 2.68Å; E309-R312 IonicContact OE2-NE 2.68Å; E309-R312 PolarHBondContact OE2-NE 2.82Å; E309-R312 IonicContact OE2-NH2 2.78Å; R312-L315 PolarHBondContact O-N 3.15Å; R312-A316 PolarHBondContact O-N 2.98Å; R312-A316 VanDerWaalsContact O-N 3.1Å
313	I	97.7	Very high	91.6	Very high	95 Å²	95	63.1 Å²	63.1	49%	0.487	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-47.8	177.7	-66.8	165.7	0	0	0	110.2	E309 S310 F311 L315 A316	E309-I313 HydrophobicContact CG-CD1 4.18Å; E309-I313 WeakPolarHBondContact O-CG1 3.26Å; E309-I313 PolarHBondContact O-N 2.94Å; S310-I313 PolarHBondContact O-N 3.33Å; F311-I313 VanDerWaalsContact C-N 3.34Å; F311-I313 PolarHBondContact O-N 3.33Å; I313-L315 PolarHBondContact O-N 2.84Å; I313-A316 PolarHBondContact O-N 2.9Å
314	F	97.8	Very high	89.9	Confident	20 Å²	20	63.1 Å²	63.1	9%	0.088	33%	0.331	C	S	.	.	H	α-helix	trans	-59.5	-45.7	177.7	174.2	-97.4	0	0	0	112.3	V130 F137 P138 V141 S310 F311 A316 D317 Y318	V130-F314 HydrophobicContact CG1-CZ 4.1Å; V130-F314 HydrophobicContact CG2-CE1 3.92Å; V130-F314 HydrophobicContact CG2-CZ 3.57Å; F137-F314 AromaticContact CD1-CE1 3.66Å; F137-F314 HydrophobicContact CD1-CE1 3.66Å; F137-F314 AromaticContact CD1-CZ 3.91Å; F137-F314 HydrophobicContact CD1-CZ 3.91Å; F137-F314 AromaticContact CE1-CE1 3.67Å; F137-F314 HydrophobicContact CE1-CE1 3.67Å; F137-F314 HydrophobicContact CE1-CZ 4.18Å; F137-F314 HydrophobicContact CG-CE1 4.48Å; F137-F314 HydrophobicContact CG-CZ 4.29Å; F137-F314 HydrophobicContact CZ-CE1 4.47Å; P138-F314 HydrophobicContact CG-CD2 3.95Å; P138-F314 HydrophobicContact CG-CE2 4.12Å; V141-F314 HydrophobicContact CG1-CD1 3.94Å; V141-F314 HydrophobicContact CG1-CE1 4.36Å; V141-F314 HydrophobicContact CG1-CG 4.26Å; V141-F314 HydrophobicContact CG2-CB 3.89Å; V141-F314 HydrophobicContact CG2-CG 4.16Å; S310-F314 WeakPolarHBondContact O-CB 3.42Å; S310-F314 PolarHBondContact O-N 3.41Å; F311-F314 HydrophobicContact CD2-CD1 4.04Å; F311-F314 HydrophobicContact CE2-CD1 4.12Å; F311-F314 PolarHBondContact O-N 2.81Å; F314-A316 VanDerWaalsContact C-N 3.33Å; F314-A316 PolarHBondContact O-N 3.38Å; F314-D317 PolarHBondContact O-N 2.87Å; F314-Y318 HydrophobicContact CD1-CD2 4.49Å; F314-Y318 HydrophobicContact CD1-CE2 4.27Å; F314-Y318 HydrophobicContact CD2-CE2 4.01Å; F314-Y318 HydrophobicContact CE1-CD2 4.23Å; F314-Y318 AromaticContact CE1-CE2 3.91Å; F314-Y318 HydrophobicContact CE1-CE2 3.91Å; F314-Y318 AromaticContact CE2-CE2 3.62Å; F314-Y318 HydrophobicContact CE2-CE2 3.62Å; F314-Y318 HydrophobicContact CG-CE2 4.33Å; F314-Y318 HydrophobicContact CZ-CD2 4.33Å; F314-Y318 AromaticContact CZ-CE2 3.58Å; F314-Y318 HydrophobicContact CZ-CE2 3.58Å; F314-Y318 WeakPolarHBondContact O-CD2 3.44Å; F314-Y318 VanDerWaalsContact O-CE2 3.32Å; F314-Y318 WeakPolarHBondContact O-CE2 3.5Å
315	L	96.8	Very high	88	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-67.1	-33.8	-176.5	179.5	59.7	0	0	0	112.3	T121 L126 A173 D174 F311 R312 I313 D317 Y318 L319	T121-L315 HydrophobicContact CG2-CD1 4.15Å; L126-L315 HydrophobicContact CD1-CD1 3.7Å; L126-L315 HydrophobicContact CD2-CD1 3.82Å; L126-L315 HydrophobicContact CG-CD1 4.36Å; A173-L315 HydrophobicContact CB-CD2 4.1Å; D174-L315 WeakPolarHBondContact O-CD2 3.49Å; F311-L315 HydrophobicContact CE1-CD2 4.19Å; F311-L315 HydrophobicContact CE2-CB 4.32Å; F311-L315 HydrophobicContact CZ-CB 4.5Å; F311-L315 HydrophobicContact CZ-CD2 4.21Å; F311-L315 WeakPolarHBondContact O-CB 3.38Å; F311-L315 PolarHBondContact O-N 3.39Å; R312-L315 PolarHBondContact O-N 3.15Å; I313-L315 PolarHBondContact O-N 2.84Å; L315-D317 PolarHBondContact O-N 2.83Å; L315-D317 VanDerWaalsContact O-N 3.13Å; L315-Y318 PolarHBondContact O-N 3.09Å; L315-L319 HydrophobicContact CD1-CD1 4.19Å; L315-L319 HydrophobicContact CD1-CD2 3.99Å; L315-L319 HydrophobicContact CD1-CG 3.77Å; L315-L319 HydrophobicContact CD2-CD1 3.93Å; L315-L319 HydrophobicContact CD2-CG 4.43Å; L315-L319 HydrophobicContact CG-CD1 3.67Å; L315-L319 HydrophobicContact CG-CD2 4.39Å; L315-L319 HydrophobicContact CG-CG 3.75Å; L315-L319 PolarHBondContact O-N 2.89Å; L315-L319 VanDerWaalsContact O-N 3.08Å
316	A	95.2	Very high	87.6	Confident	51 Å²	51	61.2 Å²	61.2	42%	0.421	33%	0.331	S	S	.	.	H	α-helix	trans	-56.8	-28.3	178.8	0	0	0	0	0	113.2	R312 I313 F314 Y318	R312-A316 PolarHBondContact O-N 2.98Å; R312-A316 VanDerWaalsContact O-N 3.1Å; I313-A316 PolarHBondContact O-N 2.9Å; F314-A316 VanDerWaalsContact C-N 3.33Å; F314-A316 PolarHBondContact O-N 3.38Å; A316-Y318 VanDerWaalsContact C-N 3.27Å; A316-Y318 PolarHBondContact O-N 2.96Å
317	D	92.9	Very high	87	Confident	105 Å²	105	61.1 Å²	61.1	56%	0.561	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-20.6	176.7	-72.4	-13	0	0	0	113	R133 F314 L315	R133-D317 PolarHBondContact NH1-O 2.81Å; F314-D317 PolarHBondContact O-N 2.87Å; L315-D317 PolarHBondContact O-N 2.83Å; L315-D317 VanDerWaalsContact O-N 3.13Å
318	Y	94.5	Very high	86.4	Confident	7 Å²	7	64.2 Å²	64.2	3%	0.027	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-11.3	-171.6	-55.3	-84	0	0	0	114.5	L126 K129 V130 F314 L315 A316	L126-Y318 HydrophobicContact CD1-CD2 4.13Å; L126-Y318 HydrophobicContact CD1-CG 3.98Å; K129-Y318 HydrophobicContact CB-CD1 4.14Å; K129-Y318 WeakPolarHBondContact CD-O 3.38Å; K129-Y318 PolarHBondContact NZ-O 3.03Å; V130-Y318 HydrophobicContact CB-CE1 4.24Å; V130-Y318 HydrophobicContact CG2-CD1 4.02Å; V130-Y318 HydrophobicContact CG2-CD2 4.13Å; V130-Y318 HydrophobicContact CG2-CE1 3.78Å; V130-Y318 HydrophobicContact CG2-CE2 3.93Å; V130-Y318 HydrophobicContact CG2-CG 4.18Å; F314-Y318 HydrophobicContact CD1-CD2 4.49Å; F314-Y318 HydrophobicContact CD1-CE2 4.27Å; F314-Y318 HydrophobicContact CD2-CE2 4.01Å; F314-Y318 HydrophobicContact CE1-CD2 4.23Å; F314-Y318 AromaticContact CE1-CE2 3.91Å; F314-Y318 HydrophobicContact CE1-CE2 3.91Å; F314-Y318 AromaticContact CE2-CE2 3.62Å; F314-Y318 HydrophobicContact CE2-CE2 3.62Å; F314-Y318 HydrophobicContact CG-CE2 4.33Å; F314-Y318 HydrophobicContact CZ-CD2 4.33Å; F314-Y318 AromaticContact CZ-CE2 3.58Å; F314-Y318 HydrophobicContact CZ-CE2 3.58Å; F314-Y318 WeakPolarHBondContact O-CD2 3.44Å; F314-Y318 VanDerWaalsContact O-CE2 3.32Å; F314-Y318 WeakPolarHBondContact O-CE2 3.5Å; L315-Y318 PolarHBondContact O-N 3.09Å; A316-Y318 VanDerWaalsContact C-N 3.27Å; A316-Y318 PolarHBondContact O-N 2.96Å
319	L	89.2	Confident	85.7	Confident	12 Å²	12	65 Å²	65	6%	0.063	35%	0.347	C	S	.	.			trans	-81	120.9	171	-69.7	-179.9	0	0	0	110	D120 T121 C175 L315 E323 K324	D120-L319 HydrophobicContact CB-CD1 4.22Å; D120-L319 HydrophobicContact CB-CD2 3.99Å; T121-L319 HydrophobicContact CG2-CD2 4.07Å; C175-L319 HydrophobicContact CB-CD1 3.76Å; L315-L319 HydrophobicContact CD1-CD1 4.19Å; L315-L319 HydrophobicContact CD1-CD2 3.99Å; L315-L319 HydrophobicContact CD1-CG 3.77Å; L315-L319 HydrophobicContact CD2-CD1 3.93Å; L315-L319 HydrophobicContact CD2-CG 4.43Å; L315-L319 HydrophobicContact CG-CD1 3.67Å; L315-L319 HydrophobicContact CG-CD2 4.39Å; L315-L319 HydrophobicContact CG-CG 3.75Å; L315-L319 PolarHBondContact O-N 2.89Å; L315-L319 VanDerWaalsContact O-N 3.08Å; L319-E323 WeakPolarHBondContact CA-OE2 3.47Å; L319-E323 HydrophobicContact CD2-CB 4.32Å; L319-K324 HydrophobicContact CB-CG 4.46Å
320	D	79.1	Confident	84.9	Confident	80 Å²	80	63.8 Å²	63.8	43%	0.428	34%	0.344	S	S	.	.			trans	-71.3	152.4	171	-60.8	-54.8	0	0	0	109.3	K129 N322 E323 K324	K129-D320 IonicContact NZ-OD2 2.66Å; K129-D320 PolarHBondContact NZ-OD2 2.78Å; D320-N322 PolarHBondContact O-N 3.23Å; D320-N322 VanDerWaalsContact O-N 3.08Å; D320-E323 HydrophobicContact CB-CG 4.14Å; D320-E323 PolarHBondContact N-OE2 2.97Å; D320-E323 WeakPolarHBondContact O-CB 3.28Å; D320-E323 PolarHBondContact O-N 3.42Å; D320-K324 PolarHBondContact O-N 3.4Å
321	D	69.8	Low	84	Confident	126 Å²	126	65.4 Å²	65.4	67%	0.674	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.3	-178.7	-73.6	-32	0	0	0	113	E323 K324	D321-E323 VanDerWaalsContact C-N 3.31Å; D321-K324 IonicContact OD1-NZ 3.42Å; D321-K324 PolarHBondContact OD1-NZ 3.07Å
322	N	66.7	Low	83	Confident	159 Å²	159	70.1 Å²	70.1	85%	0.85	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.4	175.2	-64.2	-26.4	0	0	0	113.7	D320	D320-N322 PolarHBondContact O-N 3.23Å; D320-N322 VanDerWaalsContact O-N 3.08Å
323	E	65.5	Low	81.9	Confident	53 Å²	53	68.8 Å²	68.8	25%	0.248	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-27.5	177.9	-68.6	177.7	146.9	0	0	112.1	K129 L319 D320 D321 C325	K129-E323 IonicContact NZ-OE1 2.84Å; K129-E323 PolarHBondContact NZ-OE1 3.44Å; K129-E323 IonicContact NZ-OE2 2.65Å; K129-E323 PolarHBondContact NZ-OE2 3.28Å; L319-E323 WeakPolarHBondContact CA-OE2 3.47Å; L319-E323 HydrophobicContact CD2-CB 4.32Å; D320-E323 HydrophobicContact CB-CG 4.14Å; D320-E323 PolarHBondContact N-OE2 2.97Å; D320-E323 WeakPolarHBondContact O-CB 3.28Å; D320-E323 PolarHBondContact O-N 3.42Å; D321-E323 VanDerWaalsContact C-N 3.31Å; E323-C325 PolarHBondContact O-N 2.96Å
324	K	61.4	Low	80.5	Confident	88 Å²	88	66.6 Å²	66.6	38%	0.383	37%	0.367	S	S	.	.			trans	-61.2	128.6	178.2	-64.1	172.7	-173	159.3	0	110.6	D120 L319 D320 D321	D120-K324 VanDerWaalsContact OD1-CA 3.28Å; D120-K324 WeakPolarHBondContact OD1-CA 3.35Å; L319-K324 HydrophobicContact CB-CG 4.46Å; D320-K324 PolarHBondContact O-N 3.4Å; D321-K324 IonicContact OD1-NZ 3.42Å; D321-K324 PolarHBondContact OD1-NZ 3.07Å
325	C	57.5	Low	79	Confident	98 Å²	98	70.8 Å²	70.8	66%	0.662	39%	0.393	S	S	*	.			trans	-61.8	0	177.2	-73.2	0	0	0	0	113	L118 D120 E323	L118-C325 HydrophobicContact CD2-CB 4.3Å; L118-C325 WeakPolarHBondContact CD2-SG 3.47Å; L118-C325 WeakPolarHBondContact CG-SG 3.43Å; D120-C325 PolarHBondContact OD1-N 3.22Å; D120-C325 PolarHBondContact OD1-SG 3.06Å; E323-C325 PolarHBondContact O-N 2.96Å

Retrieved 325 of 325 residues in 231.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).