A0A5K4F6S4_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F6S4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 108 aa.

						>A0A5K4F6S4_SCHMA|A0A5K4F6S4
MSSIDILIEKFYWNSICKTIWKENFDDFDEIIDWIHSETVVINAIIHSNNQIIPSYEKIIKTINFLKQNNFWRSNPFSLLIHNNNNNETIIKENNQLYIRNIKNLWRK
					

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	54.9	Low	65.2	Low	150 Å²	150	100.5 Å²	100.5	74%	0.739	52%	0.52	S	S	*	.				0	138.3	0	-104.5	120.3	106.9	0	0	109.3	D5 I6 E9	M1-D5 HydrophobicContact CB-CB 4.14Å; M1-D5 HydrophobicContact CG-CB 3.74Å; M1-I6 HydrophobicContact CB-CG1 4.2Å; M1-E9 VanDerWaalsContact CE-OE2 3.26Å; M1-E9 WeakPolarHBondContact CE-OE2 3.46Å
2	S	57.6	Low	65.1	Low	57 Å²	57	94.4 Å²	94.4	40%	0.399	49%	0.486	S	S	.	.			trans	-70.1	161.3	172.8	75.7	0	0	0	0	110.5	I4 D5 I6	S2-I4 PolarHBondContact O-N 3.38Å; S2-D5 WeakPolarHBondContact CB-OD2 3.41Å; S2-D5 PolarHBondContact N-OD2 3.27Å; S2-D5 PolarHBondContact O-N 3.41Å; S2-D5 VanDerWaalsContact O-N 3.15Å; S2-D5 PolarHBondContact OG-N 3.35Å; S2-D5 PolarHBondContact OG-OD1 2.94Å; S2-D5 PolarHBondContact OG-OD2 3.22Å; S2-I6 PolarHBondContact O-N 3.49Å
3	S	74.1	Confident	64.9	Low	92 Å²	92	92.2 Å²	92.2	64%	0.643	47%	0.467	S	S	*	.	H	α-helix	trans	-59.3	-30.8	177.5	51.1	0	0	0	0	112.9	L7	S3-L7 PolarHBondContact O-N 3.01Å
4	I	69	Low	64.4	Low	107 Å²	107	93.2 Å²	93.2	55%	0.549	48%	0.475	S	S	.	.	H	α-helix	trans	-68	-44.1	175.9	-76.5	163.1	0	0	0	110.8	S2 I6 L7 I8	S2-I4 PolarHBondContact O-N 3.38Å; I4-I6 VanDerWaalsContact C-N 3.27Å; I4-I6 PolarHBondContact O-N 2.88Å; I4-L7 PolarHBondContact O-N 3.27Å; I4-L7 VanDerWaalsContact O-N 3.11Å; I4-I8 HydrophobicContact CG2-CD1 3.7Å; I4-I8 HydrophobicContact CG2-CG1 4.3Å; I4-I8 WeakPolarHBondContact O-CG1 3.23Å; I4-I8 PolarHBondContact O-N 2.91Å
5	D	66.1	Low	63.9	Low	71 Å²	71	87.6 Å²	87.6	38%	0.38	45%	0.447	S	S	.	.	H	α-helix	trans	-58.9	-43.4	179.7	-55.4	-37.8	0	0	0	110.7	M1 S2 L7 I8 E9	M1-D5 HydrophobicContact CB-CB 4.14Å; M1-D5 HydrophobicContact CG-CB 3.74Å; S2-D5 WeakPolarHBondContact CB-OD2 3.41Å; S2-D5 PolarHBondContact N-OD2 3.27Å; S2-D5 PolarHBondContact O-N 3.41Å; S2-D5 VanDerWaalsContact O-N 3.15Å; S2-D5 PolarHBondContact OG-N 3.35Å; S2-D5 PolarHBondContact OG-OD1 2.94Å; S2-D5 PolarHBondContact OG-OD2 3.22Å; D5-L7 VanDerWaalsContact C-N 3.35Å; D5-L7 PolarHBondContact O-N 2.92Å; D5-I8 PolarHBondContact O-N 2.98Å; D5-E9 VanDerWaalsContact O-CB 3.29Å; D5-E9 WeakPolarHBondContact O-CB 3.48Å; D5-E9 PolarHBondContact O-N 3.39Å
6	I	67.9	Low	63.5	Low	83 Å²	83	82.2 Å²	82.2	43%	0.426	42%	0.42	S	S	.	.	H	α-helix	trans	-65.2	-38.7	178.4	-62.1	171.2	0	0	0	111.3	M1 S2 I4 K10	M1-I6 HydrophobicContact CB-CG1 4.2Å; S2-I6 PolarHBondContact O-N 3.49Å; I4-I6 VanDerWaalsContact C-N 3.27Å; I4-I6 PolarHBondContact O-N 2.88Å; I6-K10 WeakPolarHBondContact O-CB 3.46Å; I6-K10 PolarHBondContact O-N 3.25Å
7	L	65.8	Low	62.8	Low	120 Å²	120	81.7 Å²	81.7	63%	0.628	42%	0.424	S	S	*	.	H	α-helix	trans	-68.1	-44.1	178	-90	163	0	0	0	111.9	S3 I4 D5 E9 K10 F11	S3-L7 PolarHBondContact O-N 3.01Å; I4-L7 PolarHBondContact O-N 3.27Å; I4-L7 VanDerWaalsContact O-N 3.11Å; D5-L7 VanDerWaalsContact C-N 3.35Å; D5-L7 PolarHBondContact O-N 2.92Å; L7-E9 VanDerWaalsContact C-N 3.33Å; L7-K10 PolarHBondContact O-N 3.15Å; L7-F11 VanDerWaalsContact O-CB 3.3Å; L7-F11 WeakPolarHBondContact O-CB 3.45Å; L7-F11 PolarHBondContact O-N 3.03Å
8	I	67.8	Low	62.2	Low	110 Å²	110	86.6 Å²	86.6	56%	0.564	44%	0.442	S	S	*	.	H	α-helix	trans	-62	-46.5	175.5	-68.9	173.2	0	0	0	109.2	I4 D5 K10 F11 Y12	I4-I8 HydrophobicContact CG2-CD1 3.7Å; I4-I8 HydrophobicContact CG2-CG1 4.3Å; I4-I8 WeakPolarHBondContact O-CG1 3.23Å; I4-I8 PolarHBondContact O-N 2.91Å; D5-I8 PolarHBondContact O-N 2.98Å; I8-K10 PolarHBondContact O-N 3.39Å; I8-F11 PolarHBondContact O-N 3.07Å; I8-Y12 WeakPolarHBondContact O-CB 3.37Å; I8-Y12 PolarHBondContact O-N 3.42Å
9	E	63.4	Low	61.7	Low	53 Å²	53	82.3 Å²	82.3	25%	0.248	42%	0.42	C	S	.	.	H	α-helix	trans	-62.5	-43.4	179.3	-156.9	-170.6	168.8	0	0	112	M1 D5 L7 Y12 W13 N83	M1-E9 VanDerWaalsContact CE-OE2 3.26Å; M1-E9 WeakPolarHBondContact CE-OE2 3.46Å; D5-E9 VanDerWaalsContact O-CB 3.29Å; D5-E9 WeakPolarHBondContact O-CB 3.48Å; D5-E9 PolarHBondContact O-N 3.39Å; L7-E9 VanDerWaalsContact C-N 3.33Å; E9-Y12 WeakPolarHBondContact O-CB 3.43Å; E9-Y12 PolarHBondContact O-N 3.15Å; E9-W13 PolarHBondContact O-N 3.31Å; E9-N83 PolarHBondContact OE1-ND2 3.29Å; E9-N83 PolarHBondContact OE2-ND2 2.68Å
10	K	64	Low	61.4	Low	137 Å²	137	81.1 Å²	81.1	60%	0.596	41%	0.414	S	S	*	.	H	α-helix	trans	-64.3	-45.5	174.9	-94.8	-176.2	171.9	178.1	0	113	I6 L7 I8 Y12 W13 N14	I6-K10 WeakPolarHBondContact O-CB 3.46Å; I6-K10 PolarHBondContact O-N 3.25Å; L7-K10 PolarHBondContact O-N 3.15Å; I8-K10 PolarHBondContact O-N 3.39Å; K10-Y12 PolarHBondContact O-N 3.42Å; K10-W13 PolarHBondContact O-N 2.96Å; K10-N14 WeakPolarHBondContact O-CB 3.45Å; K10-N14 PolarHBondContact O-N 3.15Å; K10-N14 PolarHBondContact O-ND2 3.04Å
11	F	66.2	Low	61	Low	125 Å²	125	87.8 Å²	87.8	55%	0.548	43%	0.434	S	S	.	.	H	α-helix	trans	-58.1	-44.4	177	175.8	-96.9	0	0	0	109.8	L7 I8 N14 S15 F28	L7-F11 VanDerWaalsContact O-CB 3.3Å; L7-F11 WeakPolarHBondContact O-CB 3.45Å; L7-F11 PolarHBondContact O-N 3.03Å; I8-F11 PolarHBondContact O-N 3.07Å; F11-N14 PolarHBondContact O-N 3.47Å; F11-S15 WeakPolarHBondContact O-CB 3.49Å; F11-S15 PolarHBondContact O-N 3.16Å; F11-S15 PolarHBondContact O-OG 3.39Å; F11-F28 HydrophobicContact CZ-CE2 4.47Å; F11-F28 AromaticContact CZ-CZ 3.98Å; F11-F28 HydrophobicContact CZ-CZ 3.98Å
12	Y	64.5	Low	61.4	Low	28 Å²	28	85.2 Å²	85.2	11%	0.11	42%	0.419	C	S	.	.	H	α-helix	trans	-63.5	-48.5	179.1	-169.2	-107.2	0	0	0	113	I8 E9 K10 N14 S15 I16 I35 H36 L79	I8-Y12 WeakPolarHBondContact O-CB 3.37Å; I8-Y12 PolarHBondContact O-N 3.42Å; E9-Y12 WeakPolarHBondContact O-CB 3.43Å; E9-Y12 PolarHBondContact O-N 3.15Å; K10-Y12 PolarHBondContact O-N 3.42Å; Y12-N14 PolarHBondContact O-N 3.03Å; Y12-S15 CarbonylContact O-C 3.24Å; Y12-S15 WeakPolarHBondContact O-CA 3.39Å; Y12-S15 WeakPolarHBondContact O-CB 3.3Å; Y12-S15 PolarHBondContact O-N 3.44Å; Y12-S15 VanDerWaalsContact O-N 3.13Å; Y12-I16 HydrophobicContact CD1-CD1 3.67Å; Y12-I16 HydrophobicContact CD1-CG1 4.33Å; Y12-I16 HydrophobicContact CE1-CD1 3.13Å; Y12-I16 HydrophobicContact CE1-CG1 4.03Å; Y12-I16 HydrophobicContact CE2-CD1 4.49Å; Y12-I16 PolarHBondContact O-N 2.9Å; Y12-I35 HydrophobicContact CE2-CG2 4.21Å; Y12-H36 AromaticContact CZ-CD2 3.71Å; Y12-H36 WeakPolarHBondContact OH-CA 3.27Å; Y12-H36 WeakPolarHBondContact OH-CB 3.35Å; Y12-H36 PolarHBondContact OH-CD2 3.35Å; Y12-L79 HydrophobicContact CE1-CB 4.38Å; Y12-L79 HydrophobicContact CE1-CD1 3.3Å; Y12-L79 HydrophobicContact CE1-CG 4.47Å; Y12-L79 WeakPolarHBondContact OH-CD1 3.41Å
13	W	62.6	Low	61.7	Low	65 Å²	65	91.6 Å²	91.6	25%	0.246	44%	0.443	C	S	.	.	H	α-helix	trans	-60.1	-44.6	175.1	-85.8	113.4	0	0	0	113	E9 K10 S15 I16 C17 L80	E9-W13 PolarHBondContact O-N 3.31Å; K10-W13 PolarHBondContact O-N 2.96Å; W13-S15 PolarHBondContact O-N 3.25Å; W13-I16 HydrophobicContact CZ3-CG2 4.35Å; W13-I16 PolarHBondContact O-N 3.2Å; W13-C17 WeakPolarHBondContact O-CB 3.43Å; W13-C17 PolarHBondContact O-N 3.24Å; W13-C17 PolarHBondContact O-SG 3.24Å; W13-L80 HydrophobicContact CH2-CD1 3.28Å; W13-L80 HydrophobicContact CH2-CD2 3.97Å; W13-L80 HydrophobicContact CH2-CG 3.36Å; W13-L80 HydrophobicContact CZ2-CD1 3.74Å; W13-L80 HydrophobicContact CZ2-CD2 3.48Å; W13-L80 VanDerWaalsContact CZ2-CD2 3.48Å; W13-L80 HydrophobicContact CZ2-CG 3.31Å; W13-L80 HydrophobicContact CZ3-CD1 4.2Å
14	N	58.1	Low	61.2	Low	107 Å²	107	93.5 Å²	93.5	57%	0.572	45%	0.445	S	S	*	.	H	α-helix	trans	-64.8	-32	177.1	-77.9	-21.1	0	0	0	111.8	K10 F11 Y12 K18	K10-N14 WeakPolarHBondContact O-CB 3.45Å; K10-N14 PolarHBondContact O-N 3.15Å; K10-N14 PolarHBondContact O-ND2 3.04Å; F11-N14 PolarHBondContact O-N 3.47Å; Y12-N14 PolarHBondContact O-N 3.03Å; N14-K18 WeakPolarHBondContact O-CB 3.46Å; N14-K18 WeakPolarHBondContact O-CG 3.24Å; N14-K18 PolarHBondContact O-N 3.44Å
15	S	57.2	Low	61.2	Low	9 Å²	9	92.8 Å²	92.8	6%	0.063	44%	0.439	C	S	.	.	H	α-helix	trans	-68.7	-59.1	173.3	-54.9	0	0	0	0	109.3	F11 Y12 W13 C17 K18 T19	F11-S15 WeakPolarHBondContact O-CB 3.49Å; F11-S15 PolarHBondContact O-N 3.16Å; F11-S15 PolarHBondContact O-OG 3.39Å; Y12-S15 CarbonylContact O-C 3.24Å; Y12-S15 WeakPolarHBondContact O-CA 3.39Å; Y12-S15 WeakPolarHBondContact O-CB 3.3Å; Y12-S15 PolarHBondContact O-N 3.44Å; Y12-S15 VanDerWaalsContact O-N 3.13Å; W13-S15 PolarHBondContact O-N 3.25Å; S15-C17 VanDerWaalsContact C-N 3.32Å; S15-C17 PolarHBondContact O-N 2.85Å; S15-K18 PolarHBondContact O-N 2.88Å; S15-T19 VanDerWaalsContact C-OG1 3.27Å; S15-T19 WeakPolarHBondContact O-CB 3.4Å; S15-T19 PolarHBondContact O-N 3.2Å; S15-T19 PolarHBondContact O-OG1 3.2Å
16	I	57.2	Low	61.6	Low	1 Å²	1	92.3 Å²	92.3	1%	0.005	44%	0.436	C	S	.	.	H	α-helix	trans	-47.4	-52.7	177.7	-72.8	-178	0	0	0	111.8	Y12 W13 K18 T19 I20 P76	Y12-I16 HydrophobicContact CD1-CD1 3.67Å; Y12-I16 HydrophobicContact CD1-CG1 4.33Å; Y12-I16 HydrophobicContact CE1-CD1 3.13Å; Y12-I16 HydrophobicContact CE1-CG1 4.03Å; Y12-I16 HydrophobicContact CE2-CD1 4.49Å; Y12-I16 PolarHBondContact O-N 2.9Å; W13-I16 HydrophobicContact CZ3-CG2 4.35Å; W13-I16 PolarHBondContact O-N 3.2Å; I16-K18 VanDerWaalsContact C-N 3.33Å; I16-K18 PolarHBondContact O-N 3.46Å; I16-T19 PolarHBondContact O-N 2.92Å; I16-T19 VanDerWaalsContact O-N 3.14Å; I16-I20 HydrophobicContact CG2-CD1 3.54Å; I16-I20 HydrophobicContact CG2-CG1 4.25Å; I16-I20 VanDerWaalsContact O-CG1 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.37Å; I16-I20 PolarHBondContact O-N 3.43Å; I16-P76 HydrophobicContact CG2-CB 4.46Å
17	C	52.2	Low	61.9	Low	74 Å²	74	94.9 Å²	94.9	50%	0.5	45%	0.451	S	S	.	.	H	α-helix	trans	-63.7	-35	-177.7	-74.4	0	0	0	0	113.3	W13 S15	W13-C17 WeakPolarHBondContact O-CB 3.43Å; W13-C17 PolarHBondContact O-N 3.24Å; W13-C17 PolarHBondContact O-SG 3.24Å; S15-C17 VanDerWaalsContact C-N 3.32Å; S15-C17 PolarHBondContact O-N 2.85Å
18	K	50.6	Low	62.3	Low	170 Å²	170	93.6 Å²	93.6	74%	0.739	44%	0.44	S	S	*	.	H	α-helix	trans	-75.3	-28.3	175.7	-82	-177.2	173	-177.6	0	113	N14 S15 I16	N14-K18 WeakPolarHBondContact O-CB 3.46Å; N14-K18 WeakPolarHBondContact O-CG 3.24Å; N14-K18 PolarHBondContact O-N 3.44Å; S15-K18 PolarHBondContact O-N 2.88Å; I16-K18 VanDerWaalsContact C-N 3.33Å; I16-K18 PolarHBondContact O-N 3.46Å
19	T	52.5	Low	62.6	Low	4 Å²	4	88.4 Å²	88.4	3%	0.025	41%	0.413	C	S	.	.	H	α-helix	trans	-89	-35.1	-168.8	-36	0	0	0	0	111.8	S15 I16 W21 K22 D29 W72 R73	S15-T19 VanDerWaalsContact C-OG1 3.27Å; S15-T19 WeakPolarHBondContact O-CB 3.4Å; S15-T19 PolarHBondContact O-N 3.2Å; S15-T19 PolarHBondContact O-OG1 3.2Å; I16-T19 PolarHBondContact O-N 2.92Å; I16-T19 VanDerWaalsContact O-N 3.14Å; T19-W21 PolarHBondContact O-N 2.94Å; T19-W21 VanDerWaalsContact O-N 3.12Å; T19-K22 PolarHBondContact O-N 2.95Å; T19-D29 HydrophobicContact CG2-CB 4.03Å; T19-D29 WeakPolarHBondContact CG2-OD1 3.46Å; T19-W72 HydrophobicContact CG2-CH2 3.33Å; T19-W72 HydrophobicContact CG2-CZ2 3.89Å; T19-W72 HydrophobicContact CG2-CZ3 4.19Å; T19-R73 PolarHBondContact O-NH2 2.51Å
20	I	55.7	Low	63.3	Low	59 Å²	59	90.6 Å²	90.6	30%	0.303	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.3	177.8	-69.2	166.8	0	0	0	112.3	I16 W72 P76	I16-I20 HydrophobicContact CG2-CD1 3.54Å; I16-I20 HydrophobicContact CG2-CG1 4.25Å; I16-I20 VanDerWaalsContact O-CG1 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.37Å; I16-I20 PolarHBondContact O-N 3.43Å; I20-W72 HydrophobicContact CG1-CE3 4.44Å; I20-W72 HydrophobicContact CG1-CZ3 3.79Å; I20-P76 HydrophobicContact CD1-CB 3.71Å; I20-P76 HydrophobicContact CD1-CG 4.39Å
21	W	53.8	Low	64.1	Low	221 Å²	221	88.7 Å²	88.7	84%	0.837	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	5	-172.5	-64.3	95.1	0	0	0	114.8	T19	T19-W21 PolarHBondContact O-N 2.94Å; T19-W21 VanDerWaalsContact O-N 3.12Å
22	K	63.5	Low	64.6	Low	97 Å²	97	82.9 Å²	82.9	42%	0.422	39%	0.394	S	S	.	.			trans	-80.2	127.6	173.9	-98.5	-177.9	172.8	175.7	0	110.7	T19 N24 D26 R73	T19-K22 PolarHBondContact O-N 2.95Å; K22-N24 VanDerWaalsContact C-N 3.33Å; K22-D26 IonicContact NZ-OD2 2.59Å; K22-D26 PolarHBondContact NZ-OD2 2.62Å; K22-R73 PolarHBondContact O-NH2 2.83Å; K22-R73 VanDerWaalsContact O-NH2 3.11Å
23	E	62.9	Low	65.3	Low	191 Å²	191	81.6 Å²	81.6	89%	0.893	39%	0.389	S	S	*	.	S	Bend	trans	-67.9	-32.3	173.1	-72.4	-176.7	157	0	0	112.4
24	N	64	Low	66.2	Low	131 Å²	131	82.3 Å²	82.3	70%	0.701	39%	0.391	S	S	*	.	S	Bend	trans	-116.3	129.7	-177.9	-65.8	-37.5	0	0	0	111.5	K22	K22-N24 VanDerWaalsContact C-N 3.33Å
25	F	68.6	Low	67.4	Low	93 Å²	93	80.3 Å²	80.3	41%	0.408	38%	0.38	S	S	.	.			trans	-66.9	136.2	172.3	-113.7	-92.9	0	0	0	110.2	D29 D33 N70	F25-D29 HydrophobicContact CD1-CB 3.34Å; F25-D29 HydrophobicContact CE1-CB 3.51Å; F25-D29 HydrophobicContact CG-CB 4.11Å; F25-D29 HydrophobicContact CZ-CB 4.41Å; F25-D33 VanDerWaalsContact CE1-OD1 3.29Å; F25-D33 WeakPolarHBondContact CE1-OD1 3.36Å; F25-D33 VanDerWaalsContact CZ-OD1 3.28Å; F25-D33 WeakPolarHBondContact CZ-OD1 3.45Å; F25-N70 WeakPolarHBondContact CZ-OD1 3.37Å
26	D	74.9	Confident	68.4	Low	61 Å²	61	79.9 Å²	79.9	33%	0.326	38%	0.377	S	S	.	.			trans	-123.3	177	167.6	66.7	27	0	0	0	111.5	K22 F28 D29 E30	K22-D26 IonicContact NZ-OD2 2.59Å; K22-D26 PolarHBondContact NZ-OD2 2.62Å; D26-F28 PolarHBondContact O-N 3.31Å; D26-F28 VanDerWaalsContact O-N 3.16Å; D26-F28 WeakPolarHBondContact OD1-CA 3.24Å; D26-F28 VanDerWaalsContact OD1-CB 3.23Å; D26-F28 WeakPolarHBondContact OD1-CB 3.35Å; D26-F28 PolarHBondContact OD1-N 3.11Å; D26-D29 WeakPolarHBondContact O-CB 3.43Å; D26-D29 PolarHBondContact O-N 3.4Å; D26-D29 VanDerWaalsContact O-N 3.09Å; D26-D29 PolarHBondContact OD1-N 3.03Å; D26-E30 PolarHBondContact O-N 2.86Å
27	D	73.6	Confident	69.7	Low	137 Å²	137	79.8 Å²	79.8	73%	0.733	38%	0.377	S	S	*	.	H	α-helix	trans	-61.3	-23.8	-178.7	-61.3	-26.1	0	0	0	112.7	I31	D27-I31 PolarHBondContact O-N 3.24Å
28	F	75.2	Confident	71.2	Confident	92 Å²	92	79.8 Å²	79.8	40%	0.404	37%	0.369	S	S	.	.	H	α-helix	trans	-74.3	-39.8	176.5	-170.8	-97	0	0	0	110.7	F11 D26 E30 I31 I32	F11-F28 HydrophobicContact CZ-CE2 4.47Å; F11-F28 AromaticContact CZ-CZ 3.98Å; F11-F28 HydrophobicContact CZ-CZ 3.98Å; D26-F28 PolarHBondContact O-N 3.31Å; D26-F28 VanDerWaalsContact O-N 3.16Å; D26-F28 WeakPolarHBondContact OD1-CA 3.24Å; D26-F28 VanDerWaalsContact OD1-CB 3.23Å; D26-F28 WeakPolarHBondContact OD1-CB 3.35Å; D26-F28 PolarHBondContact OD1-N 3.11Å; F28-E30 VanDerWaalsContact C-N 3.27Å; F28-E30 PolarHBondContact O-N 3.11Å; F28-I31 PolarHBondContact O-N 2.77Å; F28-I32 HydrophobicContact CD1-CG1 3.94Å; F28-I32 HydrophobicContact CE1-CD1 3.93Å; F28-I32 HydrophobicContact CE1-CG1 3.68Å; F28-I32 HydrophobicContact CZ-CD1 4.09Å; F28-I32 HydrophobicContact CZ-CG1 4.26Å; F28-I32 WeakPolarHBondContact O-CG1 3.27Å; F28-I32 PolarHBondContact O-N 2.87Å
29	D	73.8	Confident	72.7	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-56.3	-43.4	172.5	-68.1	17.9	0	0	0	110.8	T19 F25 D26 I31 I32 D33 R73	T19-D29 HydrophobicContact CG2-CB 4.03Å; T19-D29 WeakPolarHBondContact CG2-OD1 3.46Å; F25-D29 HydrophobicContact CD1-CB 3.34Å; F25-D29 HydrophobicContact CE1-CB 3.51Å; F25-D29 HydrophobicContact CG-CB 4.11Å; F25-D29 HydrophobicContact CZ-CB 4.41Å; D26-D29 WeakPolarHBondContact O-CB 3.43Å; D26-D29 PolarHBondContact O-N 3.4Å; D26-D29 VanDerWaalsContact O-N 3.09Å; D26-D29 PolarHBondContact OD1-N 3.03Å; D29-I31 VanDerWaalsContact C-N 3.31Å; D29-I31 PolarHBondContact O-N 3.33Å; D29-I32 PolarHBondContact O-N 3.31Å; D29-I32 VanDerWaalsContact O-N 3.14Å; D29-D33 PolarHBondContact O-N 3.02Å; D29-D33 VanDerWaalsContact O-OD1 3.13Å; D29-R73 IonicContact OD2-CZ 3.67Å; D29-R73 IonicContact OD2-NH1 2.87Å; D29-R73 PolarHBondContact OD2-NH1 3.06Å; D29-R73 IonicContact OD2-NH2 3.46Å; D29-R73 PolarHBondContact OD2-NH2 3.28Å
30	E	77.9	Confident	74.1	Confident	100 Å²	100	74.2 Å²	74.2	47%	0.467	35%	0.35	S	S	.	.	H	α-helix	trans	-60.4	-36.8	178.3	-90.1	-144	-157.9	0	0	114.1	D26 F28 W34 K67	D26-E30 PolarHBondContact O-N 2.86Å; F28-E30 VanDerWaalsContact C-N 3.27Å; F28-E30 PolarHBondContact O-N 3.11Å; E30-W34 PolarHBondContact O-N 3.32Å; E30-K67 IonicContact OE2-NZ 2.81Å; E30-K67 PolarHBondContact OE2-NZ 3.18Å
31	I	80.7	Confident	75.4	Confident	96 Å²	96	71.4 Å²	71.4	49%	0.492	34%	0.335	S	S	.	.	H	α-helix	trans	-71.3	-41.7	176.2	-67	170.1	0	0	0	109.8	D27 F28 D29 W34 I35	D27-I31 PolarHBondContact O-N 3.24Å; F28-I31 PolarHBondContact O-N 2.77Å; D29-I31 VanDerWaalsContact C-N 3.31Å; D29-I31 PolarHBondContact O-N 3.33Å; I31-W34 WeakPolarHBondContact O-CB 3.38Å; I31-W34 PolarHBondContact O-N 3.43Å; I31-I35 HydrophobicContact CG2-CD1 3.71Å; I31-I35 HydrophobicContact CG2-CG1 4.35Å; I31-I35 WeakPolarHBondContact O-CG1 3.45Å; I31-I35 PolarHBondContact O-N 2.95Å
32	I	77.1	Confident	76.8	Confident	3 Å²	3	64.5 Å²	64.5	2%	0.015	31%	0.314	C	S	.	.	H	α-helix	trans	-64	-44.2	176.8	-66	-63	0	0	0	110.8	F28 D29 W34 I35 H36	F28-I32 HydrophobicContact CD1-CG1 3.94Å; F28-I32 HydrophobicContact CE1-CD1 3.93Å; F28-I32 HydrophobicContact CE1-CG1 3.68Å; F28-I32 HydrophobicContact CZ-CD1 4.09Å; F28-I32 HydrophobicContact CZ-CG1 4.26Å; F28-I32 WeakPolarHBondContact O-CG1 3.27Å; F28-I32 PolarHBondContact O-N 2.87Å; D29-I32 PolarHBondContact O-N 3.31Å; D29-I32 VanDerWaalsContact O-N 3.14Å; I32-W34 VanDerWaalsContact C-N 3.27Å; I32-W34 PolarHBondContact O-N 3.36Å; I32-I35 PolarHBondContact O-N 2.81Å; I32-H36 WeakPolarHBondContact O-CB 3.34Å; I32-H36 PolarHBondContact O-N 3.19Å
33	D	78.9	Confident	77.5	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-51.4	-47.7	172.3	-97.7	82.6	0	0	0	112	F25 D29 S37 K67 W72	F25-D33 VanDerWaalsContact CE1-OD1 3.29Å; F25-D33 WeakPolarHBondContact CE1-OD1 3.36Å; F25-D33 VanDerWaalsContact CZ-OD1 3.28Å; F25-D33 WeakPolarHBondContact CZ-OD1 3.45Å; D29-D33 PolarHBondContact O-N 3.02Å; D29-D33 VanDerWaalsContact O-OD1 3.13Å; D33-S37 VanDerWaalsContact O-CB 3.22Å; D33-S37 WeakPolarHBondContact O-CB 3.4Å; D33-S37 PolarHBondContact O-N 3.29Å; D33-S37 PolarHBondContact O-OG 2.85Å; D33-K67 HydrophobicContact CB-CD 4.45Å; D33-K67 HydrophobicContact CB-CG 4.09Å; D33-W72 PolarHBondContact OD1-NE1 3.46Å; D33-W72 PolarHBondContact OD2-NE1 3.5Å
34	W	82.6	Confident	78.4	Confident	80 Å²	80	52.3 Å²	52.3	30%	0.303	26%	0.26	S	S	.	.	H	α-helix	trans	-63.4	-56.3	179.6	179.5	-85.6	0	0	0	111.1	E30 I31 I32 H36 S37 E38 I63 N64 K67	E30-W34 PolarHBondContact O-N 3.32Å; I31-W34 WeakPolarHBondContact O-CB 3.38Å; I31-W34 PolarHBondContact O-N 3.43Å; I32-W34 VanDerWaalsContact C-N 3.27Å; I32-W34 PolarHBondContact O-N 3.36Å; W34-H36 PolarHBondContact O-N 2.86Å; W34-S37 PolarHBondContact O-N 2.92Å; W34-S37 VanDerWaalsContact O-N 3.17Å; W34-E38 PolarHBondContact NE1-OE2 3.15Å; W34-E38 WeakPolarHBondContact O-CB 3.13Å; W34-E38 PolarHBondContact O-N 3.36Å; W34-I63 HydrophobicContact CD2-CG2 4.24Å; W34-I63 HydrophobicContact CE3-CG2 4.12Å; W34-I63 HydrophobicContact CH2-CG2 3.97Å; W34-I63 HydrophobicContact CZ2-CG2 4.06Å; W34-I63 HydrophobicContact CZ3-CG2 4Å; W34-N64 VanDerWaalsContact CZ3-OD1 3.24Å; W34-N64 WeakPolarHBondContact CZ3-OD1 3.32Å; W34-K67 HydrophobicContact CB-CD 4.35Å; W34-K67 HydrophobicContact CE3-CD 3.93Å
35	I	81.7	Confident	79.2	Confident	65 Å²	65	47.4 Å²	47.4	33%	0.333	23%	0.233	S	C	.	.	H	α-helix	trans	-56.7	-43.9	-178.8	-69.7	170.2	0	0	0	110	Y12 I31 I32 E38 T39	Y12-I35 HydrophobicContact CE2-CG2 4.21Å; I31-I35 HydrophobicContact CG2-CD1 3.71Å; I31-I35 HydrophobicContact CG2-CG1 4.35Å; I31-I35 WeakPolarHBondContact O-CG1 3.45Å; I31-I35 PolarHBondContact O-N 2.95Å; I32-I35 PolarHBondContact O-N 2.81Å; I35-E38 PolarHBondContact O-N 3.34Å; I35-T39 VanDerWaalsContact O-CB 3.31Å; I35-T39 WeakPolarHBondContact O-CB 2.86Å; I35-T39 PolarHBondContact O-N 2.92Å; I35-T39 PolarHBondContact O-OG1 3.44Å
36	H	79.6	Confident	79.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-48	-179.3	-168.7	-60.2	0	0	0	110.5	Y12 I32 W34 E38 T39 V40 W72 S78	Y12-H36 AromaticContact CZ-CD2 3.71Å; Y12-H36 WeakPolarHBondContact OH-CA 3.27Å; Y12-H36 WeakPolarHBondContact OH-CB 3.35Å; Y12-H36 PolarHBondContact OH-CD2 3.35Å; I32-H36 WeakPolarHBondContact O-CB 3.34Å; I32-H36 PolarHBondContact O-N 3.19Å; W34-H36 PolarHBondContact O-N 2.86Å; H36-E38 VanDerWaalsContact C-N 3.33Å; H36-E38 PolarHBondContact O-N 3.28Å; H36-T39 PolarHBondContact O-N 3.43Å; H36-V40 WeakPolarHBondContact ND1-CG2 3.21Å; H36-V40 WeakPolarHBondContact O-CB 3.11Å; H36-V40 WeakPolarHBondContact O-CG2 3.48Å; H36-V40 PolarHBondContact O-N 2.87Å; H36-W72 HydrophobicContact CB-CB 3.9Å; H36-W72 HydrophobicContact CB-CG 4.49Å; H36-W72 WeakPolarHBondContact CD2-CB 3.19Å; H36-W72 VanDerWaalsContact CE1-CB 3.43Å; H36-W72 WeakPolarHBondContact CE1-CB 3.5Å; H36-W72 WeakPolarHBondContact ND1-CB 3.37Å; H36-W72 WeakPolarHBondContact NE2-CB 3.36Å; H36-S78 PolarHBondContact CE1-OG 2.93Å
37	S	83.4	Confident	79.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-40.1	177.4	-61.8	0	0	0	0	112.6	D33 W34 V40 V41 K67	D33-S37 VanDerWaalsContact O-CB 3.22Å; D33-S37 WeakPolarHBondContact O-CB 3.4Å; D33-S37 PolarHBondContact O-N 3.29Å; D33-S37 PolarHBondContact O-OG 2.85Å; W34-S37 PolarHBondContact O-N 2.92Å; W34-S37 VanDerWaalsContact O-N 3.17Å; S37-V40 WeakPolarHBondContact O-CB 2.87Å; S37-V41 WeakPolarHBondContact O-CG2 3.25Å; S37-V41 PolarHBondContact O-N 3.17Å; S37-V41 VanDerWaalsContact O-N 3.14Å; S37-K67 PolarHBondContact OG-N 3.19Å
38	E	84.3	Confident	79.6	Confident	73 Å²	73	43.8 Å²	43.8	34%	0.341	21%	0.214	S	C	.	.	H	α-helix	trans	-65.9	-51.8	176.8	179.9	166.7	-159.2	0	0	111.8	W34 I35 H36 V40 V41 I42 I63	W34-E38 PolarHBondContact NE1-OE2 3.15Å; W34-E38 WeakPolarHBondContact O-CB 3.13Å; W34-E38 PolarHBondContact O-N 3.36Å; I35-E38 PolarHBondContact O-N 3.34Å; H36-E38 VanDerWaalsContact C-N 3.33Å; H36-E38 PolarHBondContact O-N 3.28Å; E38-V40 PolarHBondContact O-N 2.86Å; E38-V41 PolarHBondContact O-N 3.45Å; E38-V41 VanDerWaalsContact O-N 3.15Å; E38-I42 HydrophobicContact CG-CD1 3.72Å; E38-I42 HydrophobicContact CG-CG1 4.45Å; E38-I42 WeakPolarHBondContact O-CG1 3.22Å; E38-I42 PolarHBondContact O-N 3.27Å; E38-I63 HydrophobicContact CB-CD1 3.97Å; E38-I63 HydrophobicContact CB-CG1 4.48Å; E38-I63 HydrophobicContact CB-CG2 4.38Å; E38-I63 HydrophobicContact CG-CD1 3.93Å
39	T	82.6	Confident	79.4	Confident	58 Å²	58	47 Å²	47	36%	0.356	24%	0.236	S	C	.	.	H	α-helix	trans	-56.9	-42.5	178.1	-53.1	0	0	0	0	110.4	I35 H36 V41 I42 N43 L79	I35-T39 VanDerWaalsContact O-CB 3.31Å; I35-T39 WeakPolarHBondContact O-CB 2.86Å; I35-T39 PolarHBondContact O-N 2.92Å; I35-T39 PolarHBondContact O-OG1 3.44Å; H36-T39 PolarHBondContact O-N 3.43Å; T39-V41 PolarHBondContact O-N 3.44Å; T39-I42 PolarHBondContact O-N 3.07Å; T39-N43 WeakPolarHBondContact O-CB 3.4Å; T39-N43 PolarHBondContact O-N 2.74Å; T39-L79 HydrophobicContact CG2-CD1 4.38Å; T39-L79 HydrophobicContact CG2-CD2 3.45Å; T39-L79 VanDerWaalsContact CG2-CD2 3.45Å
40	V	80.5	Confident	79.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56	-51	177.7	142.9	0	0	0	0	112	H36 S37 E38 A44 L66 F71 L79 Y98 I102	H36-V40 WeakPolarHBondContact ND1-CG2 3.21Å; H36-V40 WeakPolarHBondContact O-CB 3.11Å; H36-V40 WeakPolarHBondContact O-CG2 3.48Å; H36-V40 PolarHBondContact O-N 2.87Å; S37-V40 WeakPolarHBondContact O-CB 2.87Å; E38-V40 PolarHBondContact O-N 2.86Å; V40-A44 PolarHBondContact O-N 3.14Å; V40-L66 HydrophobicContact CG1-CD1 3.45Å; V40-L66 VanDerWaalsContact CG1-CD1 3.45Å; V40-F71 HydrophobicContact CG1-CD1 4.45Å; V40-F71 HydrophobicContact CG1-CE1 4.32Å; V40-F71 HydrophobicContact CG2-CD1 4.36Å; V40-F71 HydrophobicContact CG2-CE1 4.22Å; V40-L79 HydrophobicContact CG2-CD2 4.41Å; V40-L79 HydrophobicContact CG2-CG 4.34Å; V40-Y98 WeakPolarHBondContact CA-OH 3.43Å; V40-Y98 HydrophobicContact CB-CE2 4.36Å; V40-Y98 WeakPolarHBondContact CB-OH 2.85Å; V40-Y98 HydrophobicContact CG1-CE2 3.71Å; V40-Y98 WeakPolarHBondContact CG1-OH 3.02Å; V40-Y98 HydrophobicContact CG2-CE2 4.13Å; V40-Y98 WeakPolarHBondContact CG2-OH 3.48Å; V40-Y98 PolarHBondContact O-OH 3.43Å; V40-I102 HydrophobicContact CG1-CD1 3.51Å; V40-I102 HydrophobicContact CG1-CG1 4.47Å
41	V	84.2	Confident	78.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68.6	-44.7	-178.7	172.1	0	0	0	0	111	S37 E38 T39 N43 A44 I45 I59 T62 I63 L66 I102 W106	S37-V41 WeakPolarHBondContact O-CG2 3.25Å; S37-V41 PolarHBondContact O-N 3.17Å; S37-V41 VanDerWaalsContact O-N 3.14Å; E38-V41 PolarHBondContact O-N 3.45Å; E38-V41 VanDerWaalsContact O-N 3.15Å; T39-V41 PolarHBondContact O-N 3.44Å; V41-N43 VanDerWaalsContact C-N 3.31Å; V41-N43 PolarHBondContact O-N 2.93Å; V41-A44 WeakPolarHBondContact O-CB 3.3Å; V41-A44 PolarHBondContact O-N 2.92Å; V41-I45 HydrophobicContact CG1-CD1 4.09Å; V41-I45 WeakPolarHBondContact O-CG1 3.36Å; V41-I45 PolarHBondContact O-N 3.38Å; V41-I59 HydrophobicContact CG1-CG2 3.92Å; V41-T62 HydrophobicContact CG2-CG2 3.78Å; V41-I63 HydrophobicContact CB-CG1 4.03Å; V41-I63 HydrophobicContact CG1-CG1 4.39Å; V41-I63 HydrophobicContact CG2-CG1 3.87Å; V41-L66 HydrophobicContact CG2-CD1 3.61Å; V41-I102 HydrophobicContact CG2-CG2 4.4Å; V41-W106 HydrophobicContact CG1-CZ2 4.09Å
42	I	83.6	Confident	78	Confident	75 Å²	75	56.7 Å²	56.7	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-59.7	-45.2	177.8	-69.2	171.9	0	0	0	110.2	E38 T39 A44 I45 I46	E38-I42 HydrophobicContact CG-CD1 3.72Å; E38-I42 HydrophobicContact CG-CG1 4.45Å; E38-I42 WeakPolarHBondContact O-CG1 3.22Å; E38-I42 PolarHBondContact O-N 3.27Å; T39-I42 PolarHBondContact O-N 3.07Å; I42-A44 VanDerWaalsContact C-N 3.3Å; I42-A44 PolarHBondContact O-N 3.39Å; I42-I45 WeakPolarHBondContact O-CB 3.41Å; I42-I45 PolarHBondContact O-N 2.91Å; I42-I46 HydrophobicContact CG2-CD1 3.74Å; I42-I46 HydrophobicContact CG2-CG1 4.35Å; I42-I46 WeakPolarHBondContact O-CG1 3.38Å; I42-I46 PolarHBondContact O-N 3.18Å
43	N	78.3	Confident	78.2	Confident	33 Å²	33	62.2 Å²	62.2	18%	0.176	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-41	178.9	-158.6	37	0	0	0	111.4	T39 V41 I45 I46 H47 I81	T39-N43 WeakPolarHBondContact O-CB 3.4Å; T39-N43 PolarHBondContact O-N 2.74Å; V41-N43 VanDerWaalsContact C-N 3.31Å; V41-N43 PolarHBondContact O-N 2.93Å; N43-I45 VanDerWaalsContact C-N 3.3Å; N43-I45 PolarHBondContact O-N 3.47Å; N43-I46 PolarHBondContact O-N 2.96Å; N43-H47 PolarHBondContact O-CD2 2.92Å; N43-H47 PolarHBondContact O-N 3.26Å; N43-H47 PolarHBondContact OD1-CD2 2.99Å; N43-H47 PolarHBondContact OD1-NE2 3.18Å; N43-I81 WeakPolarHBondContact ND2-CD1 3.11Å
44	A	80.1	Confident	78.5	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-36.8	173.9	0	0	0	0	0	112.4	V40 V41 I42 S48 I99 I102 W106	V40-A44 PolarHBondContact O-N 3.14Å; V41-A44 WeakPolarHBondContact O-CB 3.3Å; V41-A44 PolarHBondContact O-N 2.92Å; I42-A44 VanDerWaalsContact C-N 3.3Å; I42-A44 PolarHBondContact O-N 3.39Å; A44-S48 WeakPolarHBondContact O-CA 3.42Å; A44-S48 WeakPolarHBondContact O-CB 3.32Å; A44-S48 PolarHBondContact O-N 3.06Å; A44-I99 HydrophobicContact CB-CG1 4.41Å; A44-I102 HydrophobicContact CB-CB 4.2Å; A44-I102 HydrophobicContact CB-CD1 3.81Å; A44-I102 HydrophobicContact CB-CG2 3.9Å; A44-W106 HydrophobicContact CB-CH2 4.09Å; A44-W106 HydrophobicContact CB-CZ2 4.24Å
45	I	81.6	Confident	78.9	Confident	27 Å²	27	62.2 Å²	62.2	14%	0.138	32%	0.324	C	S	.	.	H	α-helix	trans	-65.7	-51.8	175.5	-67.3	167	0	0	0	110.3	V41 I42 N43 H47 S48 I53 P54 I59 W106	V41-I45 HydrophobicContact CG1-CD1 4.09Å; V41-I45 WeakPolarHBondContact O-CG1 3.36Å; V41-I45 PolarHBondContact O-N 3.38Å; I42-I45 WeakPolarHBondContact O-CB 3.41Å; I42-I45 PolarHBondContact O-N 2.91Å; N43-I45 VanDerWaalsContact C-N 3.3Å; N43-I45 PolarHBondContact O-N 3.47Å; I45-H47 VanDerWaalsContact C-N 3.28Å; I45-H47 PolarHBondContact O-N 2.96Å; I45-S48 WeakPolarHBondContact O-CB 3.1Å; I45-S48 PolarHBondContact O-N 3.02Å; I45-S48 VanDerWaalsContact O-N 3.11Å; I45-S48 PolarHBondContact O-OG 3.12Å; I45-I53 HydrophobicContact CG2-CG2 4.12Å; I45-P54 HydrophobicContact CG1-CG 4.45Å; I45-I59 HydrophobicContact CD1-CD1 3.59Å; I45-I59 HydrophobicContact CD1-CG1 3.85Å; I45-W106 HydrophobicContact CB-CH2 4.33Å; I45-W106 HydrophobicContact CD1-CZ2 4.32Å; I45-W106 HydrophobicContact CG1-CH2 3.43Å; I45-W106 VanDerWaalsContact CG1-CH2 3.43Å; I45-W106 HydrophobicContact CG1-CZ2 3.57Å; I45-W106 HydrophobicContact CG1-CZ3 4.39Å
46	I	79.9	Confident	79.4	Confident	112 Å²	112	67.5 Å²	67.5	57%	0.574	34%	0.341	S	S	*	.	H	α-helix	trans	-56.5	-44.4	-178.5	-68.5	169.3	0	0	0	110.7	I42 N43	I42-I46 HydrophobicContact CG2-CD1 3.74Å; I42-I46 HydrophobicContact CG2-CG1 4.35Å; I42-I46 WeakPolarHBondContact O-CG1 3.38Å; I42-I46 PolarHBondContact O-N 3.18Å; N43-I46 PolarHBondContact O-N 2.96Å
47	H	73	Confident	80	Confident	90 Å²	90	75.1 Å²	75.1	42%	0.417	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.4	-177.7	-65	-60.4	0	0	0	114.5	N43 I45 N49 I99	N43-H47 PolarHBondContact O-CD2 2.92Å; N43-H47 PolarHBondContact O-N 3.26Å; N43-H47 PolarHBondContact OD1-CD2 2.99Å; N43-H47 PolarHBondContact OD1-NE2 3.18Å; I45-H47 VanDerWaalsContact C-N 3.28Å; I45-H47 PolarHBondContact O-N 2.96Å; H47-N49 PolarHBondContact O-N 3.41Å; H47-I99 HydrophobicContact CB-CD1 3.89Å
48	S	72.9	Confident	80.3	Confident	13 Å²	13	79.3 Å²	79.3	9%	0.091	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.4	-176	64.5	0	0	0	0	114.1	A44 I45 N50 K103	A44-S48 WeakPolarHBondContact O-CA 3.42Å; A44-S48 WeakPolarHBondContact O-CB 3.32Å; A44-S48 PolarHBondContact O-N 3.06Å; I45-S48 WeakPolarHBondContact O-CB 3.1Å; I45-S48 PolarHBondContact O-N 3.02Å; I45-S48 VanDerWaalsContact O-N 3.11Å; I45-S48 PolarHBondContact O-OG 3.12Å; S48-N50 WeakPolarHBondContact CB-ND2 3.29Å; S48-N50 WeakPolarHBondContact CB-OD1 3.28Å; S48-N50 PolarHBondContact O-N 2.88Å; S48-N50 PolarHBondContact O-OD1 3.4Å; S48-N50 VanDerWaalsContact OG-CB 3.3Å; S48-N50 WeakPolarHBondContact OG-CB 3.31Å; S48-N50 PolarHBondContact OG-N 3.3Å; S48-N50 PolarHBondContact OG-ND2 2.97Å; S48-N50 VanDerWaalsContact OG-ND2 3.15Å; S48-K103 PolarHBondContact O-NZ 2.86Å
49	N	71.3	Confident	80.7	Confident	159 Å²	159	77.3 Å²	77.3	85%	0.85	39%	0.386	S	S	*	.			trans	44.4	30.3	-164.5	-79.9	-2.5	0	0	0	112.7	H47	H47-N49 PolarHBondContact O-N 3.41Å
50	N	66.2	Low	81.1	Confident	61 Å²	61	76.4 Å²	76.4	33%	0.326	38%	0.379	S	S	.	.			trans	-73.1	136.2	-178.4	-72.9	-15.6	0	0	0	110.1	S48 I52 K103	S48-N50 WeakPolarHBondContact CB-ND2 3.29Å; S48-N50 WeakPolarHBondContact CB-OD1 3.28Å; S48-N50 PolarHBondContact O-N 2.88Å; S48-N50 PolarHBondContact O-OD1 3.4Å; S48-N50 VanDerWaalsContact OG-CB 3.3Å; S48-N50 WeakPolarHBondContact OG-CB 3.31Å; S48-N50 PolarHBondContact OG-N 3.3Å; S48-N50 PolarHBondContact OG-ND2 2.97Å; S48-N50 VanDerWaalsContact OG-ND2 3.15Å; N50-I52 WeakPolarHBondContact CB-O 3.26Å; N50-I52 PolarHBondContact O-N 3Å; N50-K103 PolarHBondContact OD1-NZ 3.22Å
51	Q	65.7	Low	81.8	Confident	201 Å²	201	82.6 Å²	82.6	94%	0.939	41%	0.406	S	S	*	.	S	Bend	trans	-67.5	-23.5	168.1	-74.8	-179.1	-19.6	0	0	112.6
52	I	70.4	Confident	82.1	Confident	139 Å²	139	82.9 Å²	82.9	71%	0.713	41%	0.407	S	S	*	.	S	Bend	trans	-128.9	119.6	-177	-57.7	172	0	0	0	108.7	N50	N50-I52 WeakPolarHBondContact CB-O 3.26Å; N50-I52 PolarHBondContact O-N 3Å
53	I	82.3	Confident	82.4	Confident	120 Å²	120	79.4 Å²	79.4	62%	0.615	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-74.2	135.9	175.4	-59.6	176.1	0	0	0	108.5	I45	I45-I53 HydrophobicContact CG2-CG2 4.12Å
54	P	84.3	Confident	83	Confident	20 Å²	20	80.7 Å²	80.7	13%	0.13	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-56.9	148	174.9	-19.9	30.4	0	0	0	111.9	I45 K58 I59 W106	I45-P54 HydrophobicContact CG1-CG 4.45Å; P54-K58 HydrophobicContact CB-CB 4.22Å; P54-I59 HydrophobicContact CB-CG1 4.1Å; P54-W106 HydrophobicContact CB-CD2 4.43Å; P54-W106 HydrophobicContact CG-CD2 3.67Å; P54-W106 HydrophobicContact CG-CE3 3.53Å; P54-W106 HydrophobicContact CG-CG 4.27Å; P54-W106 HydrophobicContact CG-CH2 4.2Å; P54-W106 HydrophobicContact CG-CZ2 4.3Å; P54-W106 HydrophobicContact CG-CZ3 3.82Å
55	S	91.1	Very high	83.5	Confident	61 Å²	61	84.9 Å²	84.9	43%	0.427	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-62.7	153.6	174.6	62.8	0	0	0	0	111.5	E57 K58 I59	S55-E57 PolarHBondContact O-N 3.49Å; S55-K58 WeakPolarHBondContact O-CB 3.17Å; S55-K58 PolarHBondContact O-N 3.38Å; S55-I59 WeakPolarHBondContact O-CG1 3Å; S55-I59 PolarHBondContact O-N 3.16Å
56	Y	91.8	Very high	83.8	Confident	176 Å²	176	83.9 Å²	83.9	69%	0.69	41%	0.41	S	S	*	.	H	α-helix	trans	-51.7	-43.1	177.9	177.7	-104.4	0	0	0	112.6	K58 I59 I60	Y56-K58 VanDerWaalsContact C-N 3.32Å; Y56-K58 PolarHBondContact O-N 3.09Å; Y56-I59 WeakPolarHBondContact O-CB 3.38Å; Y56-I59 PolarHBondContact O-N 2.95Å; Y56-I59 VanDerWaalsContact O-N 3.15Å; Y56-I60 HydrophobicContact CD1-CG1 4.21Å; Y56-I60 HydrophobicContact CD2-CG1 4.2Å; Y56-I60 HydrophobicContact CE1-CD1 4.47Å; Y56-I60 HydrophobicContact CE1-CG1 3.72Å; Y56-I60 HydrophobicContact CE2-CD1 3.88Å; Y56-I60 HydrophobicContact CE2-CG1 3.71Å; Y56-I60 HydrophobicContact CG-CG1 4.43Å; Y56-I60 VanDerWaalsContact CZ-CG1 3.46Å; Y56-I60 WeakPolarHBondContact O-CG1 3.43Å; Y56-I60 PolarHBondContact O-N 3.42Å
57	E	92.1	Very high	84.1	Confident	160 Å²	160	80.9 Å²	80.9	75%	0.748	39%	0.393	S	S	*	.	H	α-helix	trans	-56.2	-43	174.5	-102.7	178.5	151.3	0	0	113.1	S55 K61	S55-E57 PolarHBondContact O-N 3.49Å; E57-K61 VanDerWaalsContact O-CB 3.23Å; E57-K61 WeakPolarHBondContact O-CB 3.35Å; E57-K61 PolarHBondContact O-N 3.3Å
58	K	91	Very high	84.8	Confident	88 Å²	88	83.9 Å²	83.9	38%	0.383	41%	0.407	S	S	.	.	H	α-helix	trans	-68.4	-38	178	-74.9	-174.9	172.7	-159.6	0	111.8	P54 S55 Y56 T62 W106	P54-K58 HydrophobicContact CB-CB 4.22Å; S55-K58 WeakPolarHBondContact O-CB 3.17Å; S55-K58 PolarHBondContact O-N 3.38Å; Y56-K58 VanDerWaalsContact C-N 3.32Å; Y56-K58 PolarHBondContact O-N 3.09Å; K58-T62 WeakPolarHBondContact O-CB 2.74Å; K58-T62 PolarHBondContact O-N 2.68Å; K58-T62 PolarHBondContact O-OG1 2.67Å; K58-W106 PolarHBondContact NZ-O 3.04Å
59	I	91	Very high	85.2	Confident	30 Å²	30	87.3 Å²	87.3	15%	0.154	42%	0.424	C	S	.	.	H	α-helix	trans	-61.1	-55	176.2	-63.8	175.8	0	0	0	109.2	V41 I45 P54 S55 Y56 K61 T62 I63	V41-I59 HydrophobicContact CG1-CG2 3.92Å; I45-I59 HydrophobicContact CD1-CD1 3.59Å; I45-I59 HydrophobicContact CD1-CG1 3.85Å; P54-I59 HydrophobicContact CB-CG1 4.1Å; S55-I59 WeakPolarHBondContact O-CG1 3Å; S55-I59 PolarHBondContact O-N 3.16Å; Y56-I59 WeakPolarHBondContact O-CB 3.38Å; Y56-I59 PolarHBondContact O-N 2.95Å; Y56-I59 VanDerWaalsContact O-N 3.15Å; I59-K61 PolarHBondContact O-N 3.32Å; I59-T62 WeakPolarHBondContact O-CB 3.13Å; I59-T62 PolarHBondContact O-N 2.58Å; I59-I63 HydrophobicContact CG2-CD1 3.86Å; I59-I63 HydrophobicContact CG2-CG1 4.49Å; I59-I63 WeakPolarHBondContact O-CG1 3.39Å; I59-I63 PolarHBondContact O-N 3.06Å
60	I	92.9	Very high	85.5	Confident	40 Å²	40	82.8 Å²	82.8	21%	0.205	40%	0.4	C	S	.	.	H	α-helix	trans	-60.8	-43.9	180	-66.7	-63.9	0	0	0	111.8	Y56 T62 I63 N64	Y56-I60 HydrophobicContact CD1-CG1 4.21Å; Y56-I60 HydrophobicContact CD2-CG1 4.2Å; Y56-I60 HydrophobicContact CE1-CD1 4.47Å; Y56-I60 HydrophobicContact CE1-CG1 3.72Å; Y56-I60 HydrophobicContact CE2-CD1 3.88Å; Y56-I60 HydrophobicContact CE2-CG1 3.71Å; Y56-I60 HydrophobicContact CG-CG1 4.43Å; Y56-I60 VanDerWaalsContact CZ-CG1 3.46Å; Y56-I60 WeakPolarHBondContact O-CG1 3.43Å; Y56-I60 PolarHBondContact O-N 3.42Å; I60-T62 PolarHBondContact O-N 3.01Å; I60-I63 PolarHBondContact O-N 3.14Å; I60-N64 WeakPolarHBondContact O-CB 3.42Å; I60-N64 PolarHBondContact O-N 3.2Å; I60-N64 PolarHBondContact O-ND2 3.11Å
61	K	93.6	Very high	86	Confident	130 Å²	130	81.7 Å²	81.7	57%	0.565	39%	0.392	S	S	*	.	H	α-helix	trans	-58	-37.5	176	-172.1	-178.8	178.2	-168.9	0	111.7	E57 I59 F65	E57-K61 VanDerWaalsContact O-CB 3.23Å; E57-K61 WeakPolarHBondContact O-CB 3.35Å; E57-K61 PolarHBondContact O-N 3.3Å; I59-K61 PolarHBondContact O-N 3.32Å; K61-F65 WeakPolarHBondContact O-CB 3.42Å; K61-F65 PolarHBondContact O-N 2.81Å
62	T	90.8	Very high	86.3	Confident	5 Å²	5	72.1 Å²	72.1	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-73.5	-43.2	178.6	-51.6	0	0	0	0	111.8	V41 K58 I59 I60 N64 F65 L66 I102 L105 W106	V41-T62 HydrophobicContact CG2-CG2 3.78Å; K58-T62 WeakPolarHBondContact O-CB 2.74Å; K58-T62 PolarHBondContact O-N 2.68Å; K58-T62 PolarHBondContact O-OG1 2.67Å; I59-T62 WeakPolarHBondContact O-CB 3.13Å; I59-T62 PolarHBondContact O-N 2.58Å; I60-T62 PolarHBondContact O-N 3.01Å; T62-N64 VanDerWaalsContact C-N 3.32Å; T62-N64 PolarHBondContact O-N 3.05Å; T62-F65 PolarHBondContact O-N 2.91Å; T62-L66 HydrophobicContact CG2-CD1 4.24Å; T62-L66 HydrophobicContact CG2-CG 4.47Å; T62-L66 VanDerWaalsContact O-CG 3.27Å; T62-L66 WeakPolarHBondContact O-CG 3.48Å; T62-L66 PolarHBondContact O-N 2.81Å; T62-I102 HydrophobicContact CG2-CG2 4.14Å; T62-L105 HydrophobicContact CG2-CB 4.08Å; T62-L105 HydrophobicContact CG2-CD1 4.04Å; T62-W106 PolarHBondContact OG1-NE1 2.91Å
63	I	90.4	Very high	86.1	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-57.5	-48.6	174.6	-66.6	172	0	0	0	109.9	W34 E38 V41 I59 I60 F65 L66 K67	W34-I63 HydrophobicContact CD2-CG2 4.24Å; W34-I63 HydrophobicContact CE3-CG2 4.12Å; W34-I63 HydrophobicContact CH2-CG2 3.97Å; W34-I63 HydrophobicContact CZ2-CG2 4.06Å; W34-I63 HydrophobicContact CZ3-CG2 4Å; E38-I63 HydrophobicContact CB-CD1 3.97Å; E38-I63 HydrophobicContact CB-CG1 4.48Å; E38-I63 HydrophobicContact CB-CG2 4.38Å; E38-I63 HydrophobicContact CG-CD1 3.93Å; V41-I63 HydrophobicContact CB-CG1 4.03Å; V41-I63 HydrophobicContact CG1-CG1 4.39Å; V41-I63 HydrophobicContact CG2-CG1 3.87Å; I59-I63 HydrophobicContact CG2-CD1 3.86Å; I59-I63 HydrophobicContact CG2-CG1 4.49Å; I59-I63 WeakPolarHBondContact O-CG1 3.39Å; I59-I63 PolarHBondContact O-N 3.06Å; I60-I63 PolarHBondContact O-N 3.14Å; I63-F65 PolarHBondContact O-N 3.27Å; I63-L66 PolarHBondContact O-N 3.04Å; I63-K67 PolarHBondContact O-N 3.29Å
64	N	91.5	Very high	85.3	Confident	61 Å²	61	67 Å²	67	33%	0.326	33%	0.326	S	S	.	.	H	α-helix	trans	-59.8	-44.6	177.1	-76.3	-22.2	0	0	0	112.2	W34 I60 T62 L66 K67 Q68	W34-N64 VanDerWaalsContact CZ3-OD1 3.24Å; W34-N64 WeakPolarHBondContact CZ3-OD1 3.32Å; I60-N64 WeakPolarHBondContact O-CB 3.42Å; I60-N64 PolarHBondContact O-N 3.2Å; I60-N64 PolarHBondContact O-ND2 3.11Å; T62-N64 VanDerWaalsContact C-N 3.32Å; T62-N64 PolarHBondContact O-N 3.05Å; N64-L66 VanDerWaalsContact C-N 3.32Å; N64-L66 PolarHBondContact O-N 3.2Å; N64-K67 PolarHBondContact O-N 2.74Å; N64-Q68 WeakPolarHBondContact O-CB 3.2Å; N64-Q68 VanDerWaalsContact O-CG 3.24Å; N64-Q68 WeakPolarHBondContact O-CG 3.49Å; N64-Q68 PolarHBondContact O-N 3.34Å
65	F	90.3	Very high	84.4	Confident	88 Å²	88	68.3 Å²	68.3	39%	0.386	33%	0.332	S	S	.	.	H	α-helix	trans	-59.2	-44.6	176.6	177.4	-90.5	0	0	0	111.5	K61 T62 I63 N69 L105	K61-F65 WeakPolarHBondContact O-CB 3.42Å; K61-F65 PolarHBondContact O-N 2.81Å; T62-F65 PolarHBondContact O-N 2.91Å; I63-F65 PolarHBondContact O-N 3.27Å; F65-N69 PolarHBondContact O-N 3.16Å; F65-N69 PolarHBondContact O-ND2 2.94Å; F65-L105 HydrophobicContact CD1-CD1 3.51Å; F65-L105 HydrophobicContact CD1-CD2 3.83Å; F65-L105 HydrophobicContact CD1-CG 4.32Å; F65-L105 HydrophobicContact CE1-CD1 3.71Å; F65-L105 HydrophobicContact CE1-CD2 3.57Å; F65-L105 HydrophobicContact CE1-CG 4.31Å; F65-L105 HydrophobicContact CG-CD1 4.49Å; F65-L105 HydrophobicContact CG-CD2 4.4Å; F65-L105 HydrophobicContact CZ-CD2 3.95Å
66	L	87.4	Confident	82.9	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-67.8	-41.6	180	-65.7	173.5	0	0	0	112.2	V40 V41 T62 I63 N64 N69 N70 F71 L105	V40-L66 HydrophobicContact CG1-CD1 3.45Å; V40-L66 VanDerWaalsContact CG1-CD1 3.45Å; V41-L66 HydrophobicContact CG2-CD1 3.61Å; T62-L66 HydrophobicContact CG2-CD1 4.24Å; T62-L66 HydrophobicContact CG2-CG 4.47Å; T62-L66 VanDerWaalsContact O-CG 3.27Å; T62-L66 WeakPolarHBondContact O-CG 3.48Å; T62-L66 PolarHBondContact O-N 2.81Å; I63-L66 PolarHBondContact O-N 3.04Å; N64-L66 VanDerWaalsContact C-N 3.32Å; N64-L66 PolarHBondContact O-N 3.2Å; L66-N69 CarbonylContact O-C 3.59Å; L66-N69 PolarHBondContact O-N 3.23Å; L66-N70 PolarHBondContact O-N 3.24Å; L66-F71 HydrophobicContact CB-CB 3.87Å; L66-F71 HydrophobicContact CB-CG 4.37Å; L66-F71 HydrophobicContact CD2-CB 3.95Å; L66-F71 HydrophobicContact CD2-CD1 4.32Å; L66-F71 HydrophobicContact CD2-CD2 3.63Å; L66-F71 HydrophobicContact CD2-CE2 4.25Å; L66-F71 HydrophobicContact CD2-CG 3.67Å; L66-F71 HydrophobicContact CG-CB 4.48Å; L66-F71 VanDerWaalsContact O-CB 3.3Å; L66-F71 WeakPolarHBondContact O-CB 3.44Å; L66-F71 PolarHBondContact O-N 2.93Å; L66-L105 HydrophobicContact CD2-CD1 4.07Å
67	K	86.1	Confident	81.3	Confident	50 Å²	50	64.9 Å²	64.9	22%	0.217	32%	0.316	C	S	.	.	H	α-helix	trans	-59.3	-51.8	173.4	171.8	168.7	-178	-175.4	0	110.9	E30 D33 W34 S37 I63 N64 N69 N70	E30-K67 IonicContact OE2-NZ 2.81Å; E30-K67 PolarHBondContact OE2-NZ 3.18Å; D33-K67 HydrophobicContact CB-CD 4.45Å; D33-K67 HydrophobicContact CB-CG 4.09Å; W34-K67 HydrophobicContact CB-CD 4.35Å; W34-K67 HydrophobicContact CE3-CD 3.93Å; S37-K67 PolarHBondContact OG-N 3.19Å; I63-K67 PolarHBondContact O-N 3.29Å; N64-K67 PolarHBondContact O-N 2.74Å; K67-N69 PolarHBondContact O-N 3.14Å; K67-N69 VanDerWaalsContact O-N 3.11Å; K67-N70 PolarHBondContact O-N 3.2Å
68	Q	86.9	Confident	79.8	Confident	152 Å²	152	57.4 Å²	57.4	71%	0.71	28%	0.282	S	S	*	.	H	α-helix	trans	-60.7	-25.1	-179	-74.3	174.5	-11.4	0	0	113.6	N64	N64-Q68 WeakPolarHBondContact O-CB 3.2Å; N64-Q68 VanDerWaalsContact O-CG 3.24Å; N64-Q68 WeakPolarHBondContact O-CG 3.49Å; N64-Q68 PolarHBondContact O-N 3.34Å
69	N	83	Confident	78.1	Confident	86 Å²	86	54.9 Å²	54.9	46%	0.46	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	11.8	177.7	-71.9	-88.8	0	0	0	113	F65 L66 K67 F71	F65-N69 PolarHBondContact O-N 3.16Å; F65-N69 PolarHBondContact O-ND2 2.94Å; L66-N69 CarbonylContact O-C 3.59Å; L66-N69 PolarHBondContact O-N 3.23Å; K67-N69 PolarHBondContact O-N 3.14Å; K67-N69 VanDerWaalsContact O-N 3.11Å; N69-F71 PolarHBondContact O-N 3.5Å
70	N	76.9	Confident	76.5	Confident	64 Å²	64	55.4 Å²	55.4	34%	0.342	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	45.5	-178.8	-57.6	-42.5	0	0	0	111.9	F25 L66 K67 W72 R73 S74	F25-N70 WeakPolarHBondContact CZ-OD1 3.37Å; L66-N70 PolarHBondContact O-N 3.24Å; K67-N70 PolarHBondContact O-N 3.2Å; N70-W72 PolarHBondContact O-N 2.81Å; N70-W72 VanDerWaalsContact O-N 3.11Å; N70-R73 HydrophobicContact CB-CB 4.45Å; N70-R73 PolarHBondContact O-N 2.87Å; N70-S74 PolarHBondContact O-N 3.4Å; N70-S74 PolarHBondContact O-OG 3.36Å
71	F	76.3	Confident	74.5	Confident	37 Å²	37	54.3 Å²	54.3	16%	0.162	27%	0.27	C	S	.	.	H	α-helix	trans	-56	-36.4	-168.7	178.7	-94.5	0	0	0	112.4	V40 L66 N69 S74 N75 Y98	V40-F71 HydrophobicContact CG1-CD1 4.45Å; V40-F71 HydrophobicContact CG1-CE1 4.32Å; V40-F71 HydrophobicContact CG2-CD1 4.36Å; V40-F71 HydrophobicContact CG2-CE1 4.22Å; L66-F71 HydrophobicContact CB-CB 3.87Å; L66-F71 HydrophobicContact CB-CG 4.37Å; L66-F71 HydrophobicContact CD2-CB 3.95Å; L66-F71 HydrophobicContact CD2-CD1 4.32Å; L66-F71 HydrophobicContact CD2-CD2 3.63Å; L66-F71 HydrophobicContact CD2-CE2 4.25Å; L66-F71 HydrophobicContact CD2-CG 3.67Å; L66-F71 HydrophobicContact CG-CB 4.48Å; L66-F71 VanDerWaalsContact O-CB 3.3Å; L66-F71 WeakPolarHBondContact O-CB 3.44Å; L66-F71 PolarHBondContact O-N 2.93Å; N69-F71 PolarHBondContact O-N 3.5Å; F71-S74 WeakPolarHBondContact O-CB 3.47Å; F71-S74 PolarHBondContact O-N 3.11Å; F71-N75 HydrophobicContact CE1-CB 4.03Å; F71-N75 HydrophobicContact CE2-CB 4.41Å; F71-N75 HydrophobicContact CZ-CB 3.89Å; F71-N75 PolarHBondContact O-N 3.09Å; F71-Y98 HydrophobicContact CE1-CD2 4.07Å; F71-Y98 AromaticContact CE1-CE2 3.55Å; F71-Y98 HydrophobicContact CE1-CE2 3.55Å; F71-Y98 AromaticContact CZ-CD2 3.66Å; F71-Y98 HydrophobicContact CZ-CD2 3.66Å; F71-Y98 AromaticContact CZ-CE2 3.61Å; F71-Y98 HydrophobicContact CZ-CE2 3.61Å
72	W	71.9	Confident	72.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.4	-40.1	178.3	75.1	-78.7	0	0	0	113.8	T19 I20 D33 H36 N70 S74 N75	T19-W72 HydrophobicContact CG2-CH2 3.33Å; T19-W72 HydrophobicContact CG2-CZ2 3.89Å; T19-W72 HydrophobicContact CG2-CZ3 4.19Å; I20-W72 HydrophobicContact CG1-CE3 4.44Å; I20-W72 HydrophobicContact CG1-CZ3 3.79Å; D33-W72 PolarHBondContact OD1-NE1 3.46Å; D33-W72 PolarHBondContact OD2-NE1 3.5Å; H36-W72 HydrophobicContact CB-CB 3.9Å; H36-W72 HydrophobicContact CB-CG 4.49Å; H36-W72 WeakPolarHBondContact CD2-CB 3.19Å; H36-W72 VanDerWaalsContact CE1-CB 3.43Å; H36-W72 WeakPolarHBondContact CE1-CB 3.5Å; H36-W72 WeakPolarHBondContact ND1-CB 3.37Å; H36-W72 WeakPolarHBondContact NE2-CB 3.36Å; N70-W72 PolarHBondContact O-N 2.81Å; N70-W72 VanDerWaalsContact O-N 3.11Å; W72-S74 PolarHBondContact O-N 2.59Å; W72-N75 CarbonylContact O-C 3.59Å; W72-N75 VanDerWaalsContact O-C 3.24Å; W72-N75 PolarHBondContact O-N 2.67Å
73	R	66.4	Low	70.1	Confident	60 Å²	60	59 Å²	59	23%	0.226	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-32.8	175.8	-65.6	-174.2	118.6	109.4	-5.3	110.8	T19 K22 D29 N70	T19-R73 PolarHBondContact O-NH2 2.51Å; K22-R73 PolarHBondContact O-NH2 2.83Å; K22-R73 VanDerWaalsContact O-NH2 3.11Å; D29-R73 IonicContact OD2-CZ 3.67Å; D29-R73 IonicContact OD2-NH1 2.87Å; D29-R73 PolarHBondContact OD2-NH1 3.06Å; D29-R73 IonicContact OD2-NH2 3.46Å; D29-R73 PolarHBondContact OD2-NH2 3.28Å; N70-R73 HydrophobicContact CB-CB 4.45Å; N70-R73 PolarHBondContact O-N 2.87Å
74	S	65.9	Low	67.7	Low	92 Å²	92	64 Å²	64	64%	0.643	32%	0.322	S	S	*	.	H	α-helix	trans	-79.4	-25.1	179.5	-47.8	0	0	0	0	112.7	N70 F71 W72	N70-S74 PolarHBondContact O-N 3.4Å; N70-S74 PolarHBondContact O-OG 3.36Å; F71-S74 WeakPolarHBondContact O-CB 3.47Å; F71-S74 PolarHBondContact O-N 3.11Å; W72-S74 PolarHBondContact O-N 2.59Å
75	N	65.6	Low	65.6	Low	47 Å²	47	67.6 Å²	67.6	25%	0.251	34%	0.341	S	S	.	.			trans	-144.8	74.5	-175.1	-166.3	-7.1	0	0	0	112.4	F71 W72 F77 S78	F71-N75 HydrophobicContact CE1-CB 4.03Å; F71-N75 HydrophobicContact CE2-CB 4.41Å; F71-N75 HydrophobicContact CZ-CB 3.89Å; F71-N75 PolarHBondContact O-N 3.09Å; W72-N75 CarbonylContact O-C 3.59Å; W72-N75 VanDerWaalsContact O-C 3.24Å; W72-N75 PolarHBondContact O-N 2.67Å; N75-F77 PolarHBondContact O-N 3.4Å; N75-F77 VanDerWaalsContact O-N 3.14Å; N75-F77 PolarHBondContact OD1-N 2.81Å; N75-S78 WeakPolarHBondContact O-CB 3.2Å; N75-S78 PolarHBondContact O-N 3.11Å; N75-S78 VanDerWaalsContact O-N 3.16Å; N75-S78 PolarHBondContact O-OG 3.27Å; N75-S78 PolarHBondContact OD1-N 2.95Å
76	P	58.9	Low	63.6	Low	31 Å²	31	70 Å²	70	20%	0.201	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.6	-179.3	27.6	-35	0	0	0	113.3	I16 I20	I16-P76 HydrophobicContact CG2-CB 4.46Å; I20-P76 HydrophobicContact CD1-CB 3.71Å; I20-P76 HydrophobicContact CD1-CG 4.39Å
77	F	59.4	Low	61.8	Low	134 Å²	134	74.5 Å²	74.5	59%	0.588	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-3.8	178.4	-62.3	-80.1	0	0	0	113.7	N75 L79 L80	N75-F77 PolarHBondContact O-N 3.4Å; N75-F77 VanDerWaalsContact O-N 3.14Å; N75-F77 PolarHBondContact OD1-N 2.81Å; F77-L79 PolarHBondContact O-N 3.12Å; F77-L80 HydrophobicContact CB-CB 4.49Å; F77-L80 HydrophobicContact CD1-CB 4.35Å; F77-L80 HydrophobicContact CD1-CD1 3.28Å; F77-L80 HydrophobicContact CD1-CG 4.37Å; F77-L80 HydrophobicContact CE1-CD1 3.69Å; F77-L80 HydrophobicContact CG-CD1 4.34Å; F77-L80 PolarHBondContact O-N 2.9Å
78	S	59.1	Low	60.3	Low	4 Å²	4	79.1 Å²	79.1	3%	0.028	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-10.8	-176.6	53.4	0	0	0	0	114.7	H36 N75 I81	H36-S78 PolarHBondContact CE1-OG 2.93Å; N75-S78 WeakPolarHBondContact O-CB 3.2Å; N75-S78 PolarHBondContact O-N 3.11Å; N75-S78 VanDerWaalsContact O-N 3.16Å; N75-S78 PolarHBondContact O-OG 3.27Å; N75-S78 PolarHBondContact OD1-N 2.95Å; S78-I81 WeakPolarHBondContact O-CD1 3.36Å
79	L	56	Low	58.9	Low	34 Å²	34	76.6 Å²	76.6	18%	0.178	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-5	172.5	-67.5	162.9	0	0	0	113.9	Y12 T39 V40 F77 I81	Y12-L79 HydrophobicContact CE1-CB 4.38Å; Y12-L79 HydrophobicContact CE1-CD1 3.3Å; Y12-L79 HydrophobicContact CE1-CG 4.47Å; Y12-L79 WeakPolarHBondContact OH-CD1 3.41Å; T39-L79 HydrophobicContact CG2-CD1 4.38Å; T39-L79 HydrophobicContact CG2-CD2 3.45Å; T39-L79 VanDerWaalsContact CG2-CD2 3.45Å; V40-L79 HydrophobicContact CG2-CD2 4.41Å; V40-L79 HydrophobicContact CG2-CG 4.34Å; F77-L79 PolarHBondContact O-N 3.12Å; L79-I81 PolarHBondContact O-N 3.49Å
80	L	58	Low	57.5	Low	42 Å²	42	77.1 Å²	77.1	22%	0.22	40%	0.402	C	S	.	.			trans	-74.5	66.1	168.2	-87.5	163.9	0	0	0	109.8	W13 F77	W13-L80 HydrophobicContact CH2-CD1 3.28Å; W13-L80 HydrophobicContact CH2-CD2 3.97Å; W13-L80 HydrophobicContact CH2-CG 3.36Å; W13-L80 HydrophobicContact CZ2-CD1 3.74Å; W13-L80 HydrophobicContact CZ2-CD2 3.48Å; W13-L80 VanDerWaalsContact CZ2-CD2 3.48Å; W13-L80 HydrophobicContact CZ2-CG 3.31Å; W13-L80 HydrophobicContact CZ3-CD1 4.2Å; F77-L80 HydrophobicContact CB-CB 4.49Å; F77-L80 HydrophobicContact CD1-CB 4.35Å; F77-L80 HydrophobicContact CD1-CD1 3.28Å; F77-L80 HydrophobicContact CD1-CG 4.37Å; F77-L80 HydrophobicContact CE1-CD1 3.69Å; F77-L80 HydrophobicContact CG-CD1 4.34Å; F77-L80 PolarHBondContact O-N 2.9Å
81	I	51.3	Low	56.5	Low	17 Å²	17	76.2 Å²	76.2	9%	0.087	40%	0.396	C	S	.	.	S	Bend	trans	-98.5	-20.5	-172.6	-65.3	-165.4	0	0	0	111.4	N43 S78 L79 N95 Y98	N43-I81 WeakPolarHBondContact ND2-CD1 3.11Å; S78-I81 WeakPolarHBondContact O-CD1 3.36Å; L79-I81 PolarHBondContact O-N 3.49Å; I81-N95 WeakPolarHBondContact CG1-OD1 3.23Å; I81-Y98 HydrophobicContact CD1-CE1 4.39Å
82	H	47.7	Very low	55.8	Low	153 Å²	153	81 Å²	81	71%	0.708	42%	0.417	S	S	*	.	S	Bend	trans	-150.8	2.9	-178	-103.9	-53.4	0	0	0	120
83	N	42.9	Very low	55	Low	79 Å²	79	86.7 Å²	86.7	42%	0.422	44%	0.443	S	S	.	.	S	Bend	trans	-96.6	5.9	-169.5	-105.6	5.8	0	0	0	117.6	E9	E9-N83 PolarHBondContact OE1-ND2 3.29Å; E9-N83 PolarHBondContact OE2-ND2 2.68Å
84	N	40.7	Very low	54.7	Low	109 Å²	109	88.1 Å²	88.1	58%	0.583	46%	0.456	S	S	*	.			trans	-134.6	105.9	173	-91.4	-27.6	0	0	0	112.5	N86	N84-N86 PolarHBondContact O-N 3.04Å
85	N	46.2	Very low	54.6	Low	135 Å²	135	85 Å²	85	72%	0.722	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	10.8	175.6	-74.8	-11.7	0	0	0	115.2
86	N	49.1	Very low	54.6	Low	138 Å²	138	88.6 Å²	88.6	74%	0.738	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-5.9	-169.4	-68.9	-1.8	0	0	0	114.6	N84	N84-N86 PolarHBondContact O-N 3.04Å
87	N	50.4	Low	55	Low	101 Å²	101	91.8 Å²	91.8	54%	0.54	46%	0.462	S	S	.	.			trans	-154.2	68	174.2	-91.9	-26.9	0	0	0	111.7	T89 I91	N87-T89 VanDerWaalsContact C-N 3.27Å; N87-T89 PolarHBondContact O-N 3.5Å; N87-I91 WeakPolarHBondContact O-CD1 3.46Å; N87-I91 WeakPolarHBondContact O-CG1 3.38Å; N87-I91 PolarHBondContact O-N 3.48Å
88	E	54.7	Low	55.5	Low	147 Å²	147	85.9 Å²	85.9	69%	0.687	44%	0.436	S	S	*	.	H	α-helix	trans	-59.3	-34.1	-176.7	-68.7	-172.3	157.2	0	0	113.7	K92	E88-K92 WeakPolarHBondContact O-CB 3.14Å; E88-K92 PolarHBondContact O-N 3.25Å
89	T	56	Low	56.1	Low	99 Å²	99	87.1 Å²	87.1	61%	0.607	44%	0.442	S	S	*	.	H	α-helix	trans	-69.3	-50.2	-172.8	-7.4	0	0	0	0	112.6	N87 I91 K92 E93	N87-T89 VanDerWaalsContact C-N 3.27Å; N87-T89 PolarHBondContact O-N 3.5Å; T89-I91 PolarHBondContact O-N 3.27Å; T89-K92 PolarHBondContact O-N 3.17Å; T89-E93 PolarHBondContact O-N 2.75Å; T89-E93 VanDerWaalsContact O-N 3.09Å
90	I	54.8	Low	57.1	Low	97 Å²	97	93.4 Å²	93.4	50%	0.497	46%	0.463	S	S	.	.	H	α-helix	trans	-67.2	-39.8	-177.7	-63.4	171.9	0	0	0	110.5	K92 N94	I90-K92 VanDerWaalsContact C-N 3.34Å; I90-N94 WeakPolarHBondContact O-CB 3.4Å; I90-N94 PolarHBondContact O-N 3.33Å; I90-N94 VanDerWaalsContact O-N 3.11Å
91	I	55.6	Low	57.9	Low	44 Å²	44	95.9 Å²	95.9	23%	0.226	48%	0.477	C	S	.	.	H	α-helix	trans	-62.9	-44.6	177.4	-65.9	171.5	0	0	0	109.6	N87 T89 N94 N95	N87-I91 WeakPolarHBondContact O-CD1 3.46Å; N87-I91 WeakPolarHBondContact O-CG1 3.38Å; N87-I91 PolarHBondContact O-N 3.48Å; T89-I91 PolarHBondContact O-N 3.27Å; I91-N94 PolarHBondContact O-N 3.39Å; I91-N95 WeakPolarHBondContact O-CB 3.38Å; I91-N95 PolarHBondContact O-N 3.43Å; I91-N95 PolarHBondContact O-ND2 3.47Å; I91-N95 PolarHBondContact O-OD1 3.11Å
92	K	60.7	Low	59.1	Low	138 Å²	138	95.2 Å²	95.2	60%	0.6	47%	0.473	S	S	*	.	H	α-helix	trans	-65.1	-43	-178.6	-167.1	177.1	-175.4	178.4	0	113.1	E88 T89 I90 N95 Q96	E88-K92 WeakPolarHBondContact O-CB 3.14Å; E88-K92 PolarHBondContact O-N 3.25Å; T89-K92 PolarHBondContact O-N 3.17Å; I90-K92 VanDerWaalsContact C-N 3.34Å; K92-N95 WeakPolarHBondContact O-CB 3.37Å; K92-N95 PolarHBondContact O-N 2.88Å; K92-Q96 WeakPolarHBondContact O-CG 3.3Å; K92-Q96 PolarHBondContact O-N 2.9Å
93	E	56.9	Low	60.5	Low	119 Å²	119	90.2 Å²	90.2	56%	0.556	45%	0.449	S	S	*	.	H	α-helix	trans	-65.9	-45	178.4	-72	178.1	168.3	0	0	111.9	T89 N95 Q96 L97	T89-E93 PolarHBondContact O-N 2.75Å; T89-E93 VanDerWaalsContact O-N 3.09Å; E93-N95 VanDerWaalsContact C-N 3.29Å; E93-N95 PolarHBondContact O-N 2.86Å; E93-Q96 PolarHBondContact O-N 3.33Å; E93-L97 WeakPolarHBondContact O-CG 2.91Å; E93-L97 PolarHBondContact O-N 2.9Å
94	N	59.6	Low	62.4	Low	91 Å²	91	89.6 Å²	89.6	49%	0.487	45%	0.446	S	S	.	.	H	α-helix	trans	-60.8	-40	174.6	-84.1	-19.6	0	0	0	111.6	I90 I91 Q96 L97 Y98	I90-N94 WeakPolarHBondContact O-CB 3.4Å; I90-N94 PolarHBondContact O-N 3.33Å; I90-N94 VanDerWaalsContact O-N 3.11Å; I91-N94 PolarHBondContact O-N 3.39Å; N94-Q96 PolarHBondContact O-N 3.33Å; N94-L97 PolarHBondContact O-N 3.15Å; N94-Y98 WeakPolarHBondContact O-CB 3.36Å; N94-Y98 PolarHBondContact O-N 2.89Å
95	N	62.8	Low	64.3	Low	25 Å²	25	86.3 Å²	86.3	13%	0.134	43%	0.428	C	S	.	.	H	α-helix	trans	-61.7	-44.3	175.6	-69.4	-13.9	0	0	0	112.1	I81 I91 K92 E93 Y98 I99	I81-N95 WeakPolarHBondContact CG1-OD1 3.23Å; I91-N95 WeakPolarHBondContact O-CB 3.38Å; I91-N95 PolarHBondContact O-N 3.43Å; I91-N95 PolarHBondContact O-ND2 3.47Å; I91-N95 PolarHBondContact O-OD1 3.11Å; K92-N95 WeakPolarHBondContact O-CB 3.37Å; K92-N95 PolarHBondContact O-N 2.88Å; E93-N95 VanDerWaalsContact C-N 3.29Å; E93-N95 PolarHBondContact O-N 2.86Å; N95-Y98 PolarHBondContact O-N 3.42Å; N95-I99 WeakPolarHBondContact O-CB 3.29Å; N95-I99 VanDerWaalsContact O-CG1 3.25Å; N95-I99 WeakPolarHBondContact O-CG1 3.49Å; N95-I99 PolarHBondContact O-N 3.44Å
96	Q	66.4	Low	65.9	Low	124 Å²	124	80.6 Å²	80.6	58%	0.579	40%	0.397	S	S	*	.	H	α-helix	trans	-65	-43.7	178.8	-73.9	-175.9	-2	0	0	111.8	K92 E93 N94 Y98 R100	K92-Q96 WeakPolarHBondContact O-CG 3.3Å; K92-Q96 PolarHBondContact O-N 2.9Å; E93-Q96 PolarHBondContact O-N 3.33Å; N94-Q96 PolarHBondContact O-N 3.33Å; Q96-Y98 VanDerWaalsContact C-N 3.34Å; Q96-R100 WeakPolarHBondContact O-CB 3.33Å; Q96-R100 PolarHBondContact O-N 3.46Å
97	L	66.4	Low	67.1	Low	98 Å²	98	84 Å²	84	51%	0.513	40%	0.399	S	S	.	.	H	α-helix	trans	-62.2	-43.6	176.3	-75.6	168.7	0	0	0	111.5	E93 N94 R100 N101	E93-L97 WeakPolarHBondContact O-CG 2.91Å; E93-L97 PolarHBondContact O-N 2.9Å; N94-L97 PolarHBondContact O-N 3.15Å; L97-R100 PolarHBondContact O-N 2.94Å; L97-N101 WeakPolarHBondContact O-CB 3.26Å; L97-N101 PolarHBondContact O-N 3.42Å
98	Y	70.2	Confident	67.6	Low	9 Å²	9	88.8 Å²	88.8	4%	0.035	42%	0.415	C	S	.	.	H	α-helix	trans	-63.6	-51.4	178	165	-94.5	0	0	0	112.6	V40 F71 I81 N94 N95 Q96 R100 N101 I102	V40-Y98 WeakPolarHBondContact CA-OH 3.43Å; V40-Y98 HydrophobicContact CB-CE2 4.36Å; V40-Y98 WeakPolarHBondContact CB-OH 2.85Å; V40-Y98 HydrophobicContact CG1-CE2 3.71Å; V40-Y98 WeakPolarHBondContact CG1-OH 3.02Å; V40-Y98 HydrophobicContact CG2-CE2 4.13Å; V40-Y98 WeakPolarHBondContact CG2-OH 3.48Å; V40-Y98 PolarHBondContact O-OH 3.43Å; F71-Y98 HydrophobicContact CE1-CD2 4.07Å; F71-Y98 AromaticContact CE1-CE2 3.55Å; F71-Y98 HydrophobicContact CE1-CE2 3.55Å; F71-Y98 AromaticContact CZ-CD2 3.66Å; F71-Y98 HydrophobicContact CZ-CD2 3.66Å; F71-Y98 AromaticContact CZ-CE2 3.61Å; F71-Y98 HydrophobicContact CZ-CE2 3.61Å; I81-Y98 HydrophobicContact CD1-CE1 4.39Å; N94-Y98 WeakPolarHBondContact O-CB 3.36Å; N94-Y98 PolarHBondContact O-N 2.89Å; N95-Y98 PolarHBondContact O-N 3.42Å; Q96-Y98 VanDerWaalsContact C-N 3.34Å; Y98-R100 PolarHBondContact O-N 3.37Å; Y98-N101 PolarHBondContact O-N 3.13Å; Y98-N101 VanDerWaalsContact O-N 3.12Å; Y98-I102 HydrophobicContact CD1-CD1 4.08Å; Y98-I102 HydrophobicContact CD2-CD1 4.03Å; Y98-I102 HydrophobicContact CE1-CD1 3.52Å; Y98-I102 HydrophobicContact CE2-CD1 3.48Å; Y98-I102 VanDerWaalsContact CE2-CD1 3.48Å; Y98-I102 HydrophobicContact CE2-CG1 4.44Å; Y98-I102 HydrophobicContact CG-CD1 4.32Å; Y98-I102 PolarHBondContact O-N 3.37Å
99	I	71.9	Confident	68.2	Low	30 Å²	30	85.9 Å²	85.9	15%	0.154	40%	0.402	C	S	.	.	H	α-helix	trans	-58.6	-41.3	176.3	-70	171	0	0	0	109.3	A44 H47 N95 I102 K103	A44-I99 HydrophobicContact CB-CG1 4.41Å; H47-I99 HydrophobicContact CB-CD1 3.89Å; N95-I99 WeakPolarHBondContact O-CB 3.29Å; N95-I99 VanDerWaalsContact O-CG1 3.25Å; N95-I99 WeakPolarHBondContact O-CG1 3.49Å; N95-I99 PolarHBondContact O-N 3.44Å; I99-I102 PolarHBondContact O-N 2.87Å; I99-K103 HydrophobicContact CG2-CD 4.01Å; I99-K103 HydrophobicContact CG2-CG 4.27Å; I99-K103 WeakPolarHBondContact O-CB 3.43Å; I99-K103 VanDerWaalsContact O-CG 3.27Å; I99-K103 WeakPolarHBondContact O-CG 3.4Å; I99-K103 PolarHBondContact O-N 3.34Å
100	R	76.6	Confident	68.9	Low	166 Å²	166	85.2 Å²	85.2	63%	0.626	39%	0.391	S	S	*	.	H	α-helix	trans	-63.3	-43.3	177.3	-175.1	176.3	178.1	175	-2.7	112	Q96 L97 Y98 I102 K103 N104	Q96-R100 WeakPolarHBondContact O-CB 3.33Å; Q96-R100 PolarHBondContact O-N 3.46Å; L97-R100 PolarHBondContact O-N 2.94Å; Y98-R100 PolarHBondContact O-N 3.37Å; R100-I102 PolarHBondContact O-N 3.42Å; R100-K103 PolarHBondContact O-N 3.45Å; R100-N104 WeakPolarHBondContact O-CB 3.41Å; R100-N104 PolarHBondContact O-N 3.45Å; R100-N104 PolarHBondContact O-ND2 2.94Å; R100-N104 PolarHBondContact O-OD1 3.14Å
101	N	76.3	Confident	69.6	Low	95 Å²	95	84.6 Å²	84.6	51%	0.508	39%	0.385	S	S	.	.	H	α-helix	trans	-61.6	-44.2	177.7	-78.7	-16	0	0	0	111.7	L97 Y98 N104 L105	L97-N101 WeakPolarHBondContact O-CB 3.26Å; L97-N101 PolarHBondContact O-N 3.42Å; Y98-N101 PolarHBondContact O-N 3.13Å; Y98-N101 VanDerWaalsContact O-N 3.12Å; N101-N104 WeakPolarHBondContact O-CB 3.28Å; N101-N104 PolarHBondContact O-N 2.87Å; N101-L105 PolarHBondContact O-N 3.01Å; N101-L105 VanDerWaalsContact O-N 3.16Å
102	I	75.3	Confident	70.5	Confident	2 Å²	2	86.9 Å²	86.9	1%	0.01	39%	0.394	C	S	.	.	H	α-helix	trans	-65.8	-44.3	176.4	-66	168.7	0	0	0	111.1	V40 V41 A44 T62 Y98 I99 R100 N104 L105 W106	V40-I102 HydrophobicContact CG1-CD1 3.51Å; V40-I102 HydrophobicContact CG1-CG1 4.47Å; V41-I102 HydrophobicContact CG2-CG2 4.4Å; A44-I102 HydrophobicContact CB-CB 4.2Å; A44-I102 HydrophobicContact CB-CD1 3.81Å; A44-I102 HydrophobicContact CB-CG2 3.9Å; T62-I102 HydrophobicContact CG2-CG2 4.14Å; Y98-I102 HydrophobicContact CD1-CD1 4.08Å; Y98-I102 HydrophobicContact CD2-CD1 4.03Å; Y98-I102 HydrophobicContact CE1-CD1 3.52Å; Y98-I102 HydrophobicContact CE2-CD1 3.48Å; Y98-I102 VanDerWaalsContact CE2-CD1 3.48Å; Y98-I102 HydrophobicContact CE2-CG1 4.44Å; Y98-I102 HydrophobicContact CG-CD1 4.32Å; Y98-I102 PolarHBondContact O-N 3.37Å; I99-I102 PolarHBondContact O-N 2.87Å; R100-I102 PolarHBondContact O-N 3.42Å; I102-N104 PolarHBondContact O-N 2.89Å; I102-L105 WeakPolarHBondContact O-CB 3.48Å; I102-L105 PolarHBondContact O-N 3.35Å; I102-W106 HydrophobicContact CG2-CD2 4.4Å; I102-W106 HydrophobicContact CG2-CH2 4.22Å; I102-W106 HydrophobicContact CG2-CZ2 3.41Å; I102-W106 VanDerWaalsContact CG2-CZ2 3.41Å; I102-W106 PolarHBondContact O-N 3.2Å; I102-W106 VanDerWaalsContact O-N 3.15Å
103	K	78.1	Confident	71.1	Confident	48 Å²	48	83.8 Å²	83.8	21%	0.209	38%	0.381	C	S	.	.	H	α-helix	trans	-58.8	-37.4	174.5	-76.7	-175.9	-178.4	-159.3	0	112.1	S48 N50 I99 R100 L105 W106 R107	S48-K103 PolarHBondContact O-NZ 2.86Å; N50-K103 PolarHBondContact OD1-NZ 3.22Å; I99-K103 HydrophobicContact CG2-CD 4.01Å; I99-K103 HydrophobicContact CG2-CG 4.27Å; I99-K103 WeakPolarHBondContact O-CB 3.43Å; I99-K103 VanDerWaalsContact O-CG 3.27Å; I99-K103 WeakPolarHBondContact O-CG 3.4Å; I99-K103 PolarHBondContact O-N 3.34Å; R100-K103 PolarHBondContact O-N 3.45Å; K103-L105 VanDerWaalsContact C-N 3.29Å; K103-L105 PolarHBondContact O-N 3.25Å; K103-W106 HydrophobicContact CB-CE3 4.33Å; K103-W106 HydrophobicContact CG-CE3 3.83Å; K103-W106 HydrophobicContact CG-CH2 4.48Å; K103-W106 HydrophobicContact CG-CZ3 3.68Å; K103-W106 PolarHBondContact O-N 2.93Å; K103-R107 PolarHBondContact O-N 3.04Å
104	N	82.2	Confident	72	Confident	67 Å²	67	81.4 Å²	81.4	36%	0.358	37%	0.37	S	S	.	.	H	α-helix	trans	-64.2	-35.4	176	-70.8	-20.3	0	0	0	111.6	R100 N101 I102 R107	R100-N104 WeakPolarHBondContact O-CB 3.41Å; R100-N104 PolarHBondContact O-N 3.45Å; R100-N104 PolarHBondContact O-ND2 2.94Å; R100-N104 PolarHBondContact O-OD1 3.14Å; N101-N104 WeakPolarHBondContact O-CB 3.28Å; N101-N104 PolarHBondContact O-N 2.87Å; I102-N104 PolarHBondContact O-N 2.89Å; N104-R107 PolarHBondContact O-N 3.5Å
105	L	80.8	Confident	72.9	Confident	40 Å²	40	80.7 Å²	80.7	21%	0.209	36%	0.361	C	S	.	.	H	α-helix	trans	-66.4	-36.3	174.2	-64.7	171.3	0	0	0	112	T62 F65 L66 N101 I102 K103 R107 K108	T62-L105 HydrophobicContact CG2-CB 4.08Å; T62-L105 HydrophobicContact CG2-CD1 4.04Å; F65-L105 HydrophobicContact CD1-CD1 3.51Å; F65-L105 HydrophobicContact CD1-CD2 3.83Å; F65-L105 HydrophobicContact CD1-CG 4.32Å; F65-L105 HydrophobicContact CE1-CD1 3.71Å; F65-L105 HydrophobicContact CE1-CD2 3.57Å; F65-L105 HydrophobicContact CE1-CG 4.31Å; F65-L105 HydrophobicContact CG-CD1 4.49Å; F65-L105 HydrophobicContact CG-CD2 4.4Å; F65-L105 HydrophobicContact CZ-CD2 3.95Å; L66-L105 HydrophobicContact CD2-CD1 4.07Å; N101-L105 PolarHBondContact O-N 3.01Å; N101-L105 VanDerWaalsContact O-N 3.16Å; I102-L105 WeakPolarHBondContact O-CB 3.48Å; I102-L105 PolarHBondContact O-N 3.35Å; K103-L105 VanDerWaalsContact C-N 3.29Å; K103-L105 PolarHBondContact O-N 3.25Å; L105-R107 PolarHBondContact O-N 2.66Å; L105-K108 PolarHBondContact O-N 2.9Å
106	W	80.4	Confident	73.7	Confident	15 Å²	15	85 Å²	85	6%	0.057	38%	0.379	C	S	.	.	H	α-helix	trans	-67	-20.7	177.1	-59.5	-19	0	0	0	114.9	V41 A44 I45 P54 K58 T62 I102 K103	V41-W106 HydrophobicContact CG1-CZ2 4.09Å; A44-W106 HydrophobicContact CB-CH2 4.09Å; A44-W106 HydrophobicContact CB-CZ2 4.24Å; I45-W106 HydrophobicContact CB-CH2 4.33Å; I45-W106 HydrophobicContact CD1-CZ2 4.32Å; I45-W106 HydrophobicContact CG1-CH2 3.43Å; I45-W106 VanDerWaalsContact CG1-CH2 3.43Å; I45-W106 HydrophobicContact CG1-CZ2 3.57Å; I45-W106 HydrophobicContact CG1-CZ3 4.39Å; P54-W106 HydrophobicContact CB-CD2 4.43Å; P54-W106 HydrophobicContact CG-CD2 3.67Å; P54-W106 HydrophobicContact CG-CE3 3.53Å; P54-W106 HydrophobicContact CG-CG 4.27Å; P54-W106 HydrophobicContact CG-CH2 4.2Å; P54-W106 HydrophobicContact CG-CZ2 4.3Å; P54-W106 HydrophobicContact CG-CZ3 3.82Å; K58-W106 PolarHBondContact NZ-O 3.04Å; T62-W106 PolarHBondContact OG1-NE1 2.91Å; I102-W106 HydrophobicContact CG2-CD2 4.4Å; I102-W106 HydrophobicContact CG2-CH2 4.22Å; I102-W106 HydrophobicContact CG2-CZ2 3.41Å; I102-W106 VanDerWaalsContact CG2-CZ2 3.41Å; I102-W106 PolarHBondContact O-N 3.2Å; I102-W106 VanDerWaalsContact O-N 3.15Å; K103-W106 HydrophobicContact CB-CE3 4.33Å; K103-W106 HydrophobicContact CG-CE3 3.83Å; K103-W106 HydrophobicContact CG-CH2 4.48Å; K103-W106 HydrophobicContact CG-CZ3 3.68Å; K103-W106 PolarHBondContact O-N 2.93Å
107	R	73.4	Confident	74.3	Confident	210 Å²	210	81.8 Å²	81.8	79%	0.792	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-14.7	-178.2	-70.9	-179.9	178.2	-178.2	-1.5	113.3	K103 N104 L105	K103-R107 PolarHBondContact O-N 3.04Å; N104-R107 PolarHBondContact O-N 3.5Å; L105-R107 PolarHBondContact O-N 2.66Å
108	K	60.4	Low	75	Confident	201 Å²	201	80.3 Å²	80.3	87%	0.874	35%	0.348	S	S	*	.			trans	-92.1	0	176	-68.6	-173.4	178.1	-177.2	0	111.9	L105	L105-K108 PolarHBondContact O-N 2.9Å

Retrieved 108 of 108 residues in 175.2 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).