A0A5K4F7J4_SCHMA Loading...

DUF5063 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7J4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 170 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.5	Low	70.5	Confident	230 Å²	230	108.2 Å²	108.2	100%	1.133	56%	0.563	S	S	*	*				0	-19.3	0	-88.6	159.4	137.1	0	0	115
2	G	58.2	Low	71.8	Confident	61 Å²	61	113.4 Å²	113.4	63%	0.629	57%	0.57	S	S	*	*	H	α-helix	trans	-70.4	-28.8	-173.2	0	0	0	0	0	118.8	S6	G2-S6 PolarHBondContact O-N 2.67Å
3	K	60.3	Low	72.8	Confident	189 Å²	189	106.3 Å²	106.3	82%	0.822	53%	0.534	S	S	*	.	H	α-helix	trans	-71	-40	-177	-82.6	-175.4	175.6	179.5	0	114	D5 T7	K3-D5 VanDerWaalsContact C-N 3.32Å; K3-D5 PolarHBondContact O-N 3.05Å; K3-T7 PolarHBondContact O-N 3.24Å; K3-T7 PolarHBondContact O-OG1 3.46Å; K3-T7 VanDerWaalsContact O-OG1 3.09Å
4	K	62.5	Low	74.1	Confident	189 Å²	189	103.1 Å²	103.1	82%	0.822	52%	0.519	S	S	*	.	H	α-helix	trans	-68.2	-35	-177.5	-133.1	179.7	-175.7	-177.1	0	111.7	S8	K4-S8 PolarHBondContact O-N 2.98Å
5	D	65	Low	75.2	Confident	79 Å²	79	101.1 Å²	101.1	42%	0.422	51%	0.51	S	S	.	.	H	α-helix	trans	-74.4	-39.6	179.6	-163.8	40.7	0	0	0	112.2	K3 S8 K9	K3-D5 VanDerWaalsContact C-N 3.32Å; K3-D5 PolarHBondContact O-N 3.05Å; D5-S8 PolarHBondContact O-N 3.47Å; D5-S8 PolarHBondContact O-OG 2.67Å; D5-K9 WeakPolarHBondContact O-CG 3.38Å; D5-K9 PolarHBondContact O-N 2.49Å; D5-K9 VanDerWaalsContact OD2-CE 3.32Å; D5-K9 WeakPolarHBondContact OD2-CE 3.37Å; D5-K9 IonicContact OD2-NZ 2.74Å; D5-K9 PolarHBondContact OD2-NZ 2.7Å
6	S	66.6	Low	76.1	Confident	36 Å²	36	100.1 Å²	100.1	25%	0.252	50%	0.503	S	S	.	.	H	α-helix	trans	-60	-44.9	172.4	174.7	0	0	0	0	112.2	G2 S8 K9 K10	G2-S6 PolarHBondContact O-N 2.67Å; S6-S8 VanDerWaalsContact C-N 3.34Å; S6-S8 PolarHBondContact O-N 3.37Å; S6-K9 PolarHBondContact O-N 3.24Å; S6-K10 WeakPolarHBondContact O-CG 3.44Å; S6-K10 PolarHBondContact O-N 3.22Å
7	T	76.5	Confident	77	Confident	94 Å²	94	95.9 Å²	95.9	58%	0.577	48%	0.482	S	S	*	.	H	α-helix	trans	-62.9	-39.5	177.4	-53	0	0	0	0	112.1	K3 Q11	K3-T7 PolarHBondContact O-N 3.24Å; K3-T7 PolarHBondContact O-OG1 3.46Å; K3-T7 VanDerWaalsContact O-OG1 3.09Å; T7-Q11 PolarHBondContact O-N 3.41Å; T7-Q11 VanDerWaalsContact O-N 3.07Å
8	S	82.1	Confident	77.9	Confident	56 Å²	56	98.1 Å²	98.1	39%	0.392	49%	0.488	S	S	.	.	H	α-helix	trans	-63.8	-45.1	177	116.1	0	0	0	0	111.5	K4 D5 S6 Q11 R12	K4-S8 PolarHBondContact O-N 2.98Å; D5-S8 PolarHBondContact O-N 3.47Å; D5-S8 PolarHBondContact O-OG 2.67Å; S6-S8 VanDerWaalsContact C-N 3.34Å; S6-S8 PolarHBondContact O-N 3.37Å; S8-Q11 PolarHBondContact O-N 3.14Å; S8-R12 WeakPolarHBondContact O-CG 3.39Å; S8-R12 PolarHBondContact O-N 3.08Å
9	K	80.3	Confident	78.6	Confident	102 Å²	102	99.9 Å²	99.9	44%	0.443	50%	0.495	S	S	.	.	H	α-helix	trans	-63.9	-45.1	178.6	-72.6	170.4	176.8	165.4	0	112	D5 S6 Q11 R12 I13 V168	D5-K9 WeakPolarHBondContact O-CG 3.38Å; D5-K9 PolarHBondContact O-N 2.49Å; D5-K9 VanDerWaalsContact OD2-CE 3.32Å; D5-K9 WeakPolarHBondContact OD2-CE 3.37Å; D5-K9 IonicContact OD2-NZ 2.74Å; D5-K9 PolarHBondContact OD2-NZ 2.7Å; S6-K9 PolarHBondContact O-N 3.24Å; K9-Q11 VanDerWaalsContact C-N 3.31Å; K9-Q11 PolarHBondContact O-N 3.16Å; K9-R12 PolarHBondContact O-N 3.3Å; K9-I13 WeakPolarHBondContact O-CG1 3.41Å; K9-I13 PolarHBondContact O-N 2.96Å; K9-V168 HydrophobicContact CB-CG1 4.28Å
10	K	84	Confident	79.3	Confident	57 Å²	57	95.9 Å²	95.9	25%	0.248	48%	0.476	C	S	.	.	H	α-helix	trans	-56.5	-46.1	174.4	-73.8	-179.5	-172	-172.3	0	111.7	S6 R12 I13 I14 Y165 V168 S169	S6-K10 WeakPolarHBondContact O-CG 3.44Å; S6-K10 PolarHBondContact O-N 3.22Å; K10-R12 VanDerWaalsContact C-N 3.34Å; K10-R12 PolarHBondContact O-N 2.7Å; K10-I13 PolarHBondContact O-N 2.82Å; K10-I14 VanDerWaalsContact O-CG1 3.29Å; K10-I14 WeakPolarHBondContact O-CG1 3.46Å; K10-I14 PolarHBondContact O-N 2.92Å; K10-Y165 HydrophobicContact CB-CE2 4.29Å; K10-Y165 HydrophobicContact CG-CE2 4.44Å; K10-V168 WeakPolarHBondContact CE-O 3.41Å; K10-V168 HydrophobicContact CG-CG1 3.93Å; K10-S169 VanDerWaalsContact CE-CA 3.49Å
11	Q	87.4	Confident	79.9	Confident	97 Å²	97	97 Å²	97	45%	0.453	48%	0.478	S	S	.	.	H	α-helix	trans	-65.5	-38.3	-178	-169.4	59.6	52.5	0	0	112.2	T7 S8 K9 I14 N15	T7-Q11 PolarHBondContact O-N 3.41Å; T7-Q11 VanDerWaalsContact O-N 3.07Å; S8-Q11 PolarHBondContact O-N 3.14Å; K9-Q11 VanDerWaalsContact C-N 3.31Å; K9-Q11 PolarHBondContact O-N 3.16Å; Q11-I14 PolarHBondContact O-N 3.26Å; Q11-N15 PolarHBondContact NE2-OD1 2.84Å; Q11-N15 PolarHBondContact O-N 2.74Å; Q11-N15 PolarHBondContact O-OD1 3.44Å
12	R	86.7	Confident	81.8	Confident	171 Å²	171	90.4 Å²	90.4	65%	0.645	45%	0.448	S	S	*	.	H	α-helix	trans	-62.8	-47.8	175.2	-67.9	178.1	92.9	-176.2	6	111.4	S8 K9 K10 I14 N15 E16	S8-R12 WeakPolarHBondContact O-CG 3.39Å; S8-R12 PolarHBondContact O-N 3.08Å; K9-R12 PolarHBondContact O-N 3.3Å; K10-R12 VanDerWaalsContact C-N 3.34Å; K10-R12 PolarHBondContact O-N 2.7Å; R12-I14 VanDerWaalsContact C-N 3.31Å; R12-I14 PolarHBondContact O-N 2.69Å; R12-N15 PolarHBondContact O-N 3.35Å; R12-N15 VanDerWaalsContact O-N 3.13Å; R12-E16 PolarHBondContact O-N 2.93Å
13	I	84.6	Confident	83.5	Confident	21 Å²	21	89.2 Å²	89.2	11%	0.108	43%	0.43	C	S	.	.	H	α-helix	trans	-60.3	-41.9	176.8	-62.2	165.7	0	0	0	111	K9 K10 N15 E16 I17 L161 L164 Y165 V168	K9-I13 WeakPolarHBondContact O-CG1 3.41Å; K9-I13 PolarHBondContact O-N 2.96Å; K10-I13 PolarHBondContact O-N 2.82Å; I13-N15 VanDerWaalsContact C-N 3.33Å; I13-N15 PolarHBondContact O-N 3.42Å; I13-E16 PolarHBondContact O-N 3.35Å; I13-I17 HydrophobicContact CG2-CD1 3.78Å; I13-I17 HydrophobicContact CG2-CG1 4.23Å; I13-I17 WeakPolarHBondContact O-CB 3.41Å; I13-I17 VanDerWaalsContact O-CG1 3.25Å; I13-I17 WeakPolarHBondContact O-CG1 3.31Å; I13-I17 PolarHBondContact O-N 3.34Å; I13-L161 HydrophobicContact CG2-CB 4.32Å; I13-L161 HydrophobicContact CG2-CD2 4.45Å; I13-L161 WeakPolarHBondContact CG2-O 3.44Å; I13-L164 HydrophobicContact CD1-CB 4.32Å; I13-Y165 HydrophobicContact CB-CD2 4.46Å; I13-Y165 HydrophobicContact CG2-CD2 4.2Å; I13-Y165 HydrophobicContact CG2-CG 4.45Å; I13-V168 HydrophobicContact CD1-CG2 4.08Å
14	I	90.3	Very high	85	Confident	62 Å²	62	81.2 Å²	81.2	32%	0.318	40%	0.395	S	S	.	.	H	α-helix	trans	-60.2	-44.2	176.1	-72.3	166.5	0	0	0	111.2	K10 Q11 R12 I17 K18 Y165	K10-I14 VanDerWaalsContact O-CG1 3.29Å; K10-I14 WeakPolarHBondContact O-CG1 3.46Å; K10-I14 PolarHBondContact O-N 2.92Å; Q11-I14 PolarHBondContact O-N 3.26Å; R12-I14 VanDerWaalsContact C-N 3.31Å; R12-I14 PolarHBondContact O-N 2.69Å; I14-I17 PolarHBondContact O-N 2.88Å; I14-K18 WeakPolarHBondContact O-CB 3.31Å; I14-K18 PolarHBondContact O-N 2.74Å; I14-Y165 HydrophobicContact CD1-CE2 3.62Å; I14-Y165 HydrophobicContact CG1-CD2 3.98Å; I14-Y165 HydrophobicContact CG1-CE2 3.48Å; I14-Y165 VanDerWaalsContact CG1-CE2 3.48Å
15	N	90.9	Very high	86.6	Confident	73 Å²	73	77.7 Å²	77.7	39%	0.39	38%	0.382	S	S	.	.	H	α-helix	trans	-64.1	-45.9	179.9	-68.1	-6	0	0	0	110.8	Q11 R12 I13 I17 K18 E19	Q11-N15 PolarHBondContact NE2-OD1 2.84Å; Q11-N15 PolarHBondContact O-N 2.74Å; Q11-N15 PolarHBondContact O-OD1 3.44Å; R12-N15 PolarHBondContact O-N 3.35Å; R12-N15 VanDerWaalsContact O-N 3.13Å; I13-N15 VanDerWaalsContact C-N 3.33Å; I13-N15 PolarHBondContact O-N 3.42Å; N15-I17 PolarHBondContact O-N 3.48Å; N15-K18 WeakPolarHBondContact O-CB 3.09Å; N15-K18 PolarHBondContact O-N 3.34Å; N15-K18 VanDerWaalsContact O-N 3.14Å; N15-E19 WeakPolarHBondContact O-CG 3.23Å; N15-E19 PolarHBondContact O-N 3.48Å
16	E	89.4	Confident	88	Confident	85 Å²	85	76.6 Å²	76.6	40%	0.397	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-43	176.5	-70.4	176.7	-149.5	0	0	111.7	R12 I13 K18 E19 V20 L161	R12-E16 PolarHBondContact O-N 2.93Å; I13-E16 PolarHBondContact O-N 3.35Å; E16-K18 PolarHBondContact O-N 3.06Å; E16-E19 PolarHBondContact O-N 3.34Å; E16-V20 WeakPolarHBondContact O-CB 3.48Å; E16-V20 VanDerWaalsContact O-CG2 3.25Å; E16-V20 WeakPolarHBondContact O-CG2 3.32Å; E16-V20 PolarHBondContact O-N 3.2Å; E16-L161 HydrophobicContact CB-CD1 3.74Å; E16-L161 HydrophobicContact CB-CD2 4.43Å; E16-L161 WeakPolarHBondContact OE2-CD2 3.42Å
17	I	91.4	Very high	89.1	Confident	29 Å²	29	75.9 Å²	75.9	15%	0.149	37%	0.373	C	S	.	.	H	α-helix	trans	-57	-41.5	173.9	-75.4	173.2	0	0	0	110.8	I13 I14 N15 K21 Y158 L161	I13-I17 HydrophobicContact CG2-CD1 3.78Å; I13-I17 HydrophobicContact CG2-CG1 4.23Å; I13-I17 WeakPolarHBondContact O-CB 3.41Å; I13-I17 VanDerWaalsContact O-CG1 3.25Å; I13-I17 WeakPolarHBondContact O-CG1 3.31Å; I13-I17 PolarHBondContact O-N 3.34Å; I14-I17 PolarHBondContact O-N 2.88Å; N15-I17 PolarHBondContact O-N 3.48Å; I17-K21 WeakPolarHBondContact O-CB 3.24Å; I17-K21 PolarHBondContact O-N 2.85Å; I17-Y158 HydrophobicContact CG2-CD2 4.18Å; I17-Y158 HydrophobicContact CG2-CE2 3.72Å; I17-L161 HydrophobicContact CD1-CB 4.2Å; I17-L161 HydrophobicContact CG1-CB 3.64Å; I17-L161 HydrophobicContact CG1-CD1 4.31Å
18	K	93.3	Very high	89.8	Confident	134 Å²	134	73.8 Å²	73.8	58%	0.583	36%	0.36	S	S	*	.	H	α-helix	trans	-65.4	-47.8	179.2	-171.9	-177.6	175.1	-171.2	0	111	I14 N15 E16 K21 D22	I14-K18 WeakPolarHBondContact O-CB 3.31Å; I14-K18 PolarHBondContact O-N 2.74Å; N15-K18 WeakPolarHBondContact O-CB 3.09Å; N15-K18 PolarHBondContact O-N 3.34Å; N15-K18 VanDerWaalsContact O-N 3.14Å; E16-K18 PolarHBondContact O-N 3.06Å; K18-K21 PolarHBondContact O-N 3.01Å; K18-D22 PolarHBondContact O-N 3.43Å
19	E	92.6	Very high	90.4	Very high	134 Å²	134	76.3 Å²	76.3	63%	0.626	37%	0.366	S	S	*	.	H	α-helix	trans	-60.7	-46.5	178.2	-71.7	172.9	-169.4	0	0	111.8	N15 E16 K21 D22 S23	N15-E19 WeakPolarHBondContact O-CG 3.23Å; N15-E19 PolarHBondContact O-N 3.48Å; E16-E19 PolarHBondContact O-N 3.34Å; E19-K21 VanDerWaalsContact C-N 3.3Å; E19-K21 PolarHBondContact O-N 3.47Å; E19-D22 PolarHBondContact O-N 2.83Å; E19-S23 WeakPolarHBondContact O-CB 3.48Å; E19-S23 PolarHBondContact O-N 2.91Å
20	V	91.2	Very high	90.9	Very high	18 Å²	18	73.3 Å²	73.3	11%	0.109	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-36.6	177.4	176.7	0	0	0	0	111.1	E16 S23 L24 D154 T157 L161	E16-V20 WeakPolarHBondContact O-CB 3.48Å; E16-V20 VanDerWaalsContact O-CG2 3.25Å; E16-V20 WeakPolarHBondContact O-CG2 3.32Å; E16-V20 PolarHBondContact O-N 3.2Å; V20-S23 WeakPolarHBondContact O-CB 3.11Å; V20-S23 PolarHBondContact O-N 2.99Å; V20-L24 HydrophobicContact CG1-CD1 4.37Å; V20-L24 WeakPolarHBondContact O-CG 3.41Å; V20-L24 PolarHBondContact O-N 2.83Å; V20-D154 HydrophobicContact CG1-CB 3.86Å; V20-D154 WeakPolarHBondContact CG1-O 3.36Å; V20-T157 HydrophobicContact CG2-CG2 3.97Å; V20-L161 HydrophobicContact CG2-CD1 4.18Å
21	K	91.9	Very high	91.2	Very high	120 Å²	120	71.9 Å²	71.9	52%	0.522	35%	0.349	S	S	.	.	H	α-helix	trans	-66.3	-42.9	176.1	-174.5	-178.7	177	-175.2	0	112.1	I17 K18 E19 S23 L24 Q25 Y158	I17-K21 WeakPolarHBondContact O-CB 3.24Å; I17-K21 PolarHBondContact O-N 2.85Å; K18-K21 PolarHBondContact O-N 3.01Å; E19-K21 VanDerWaalsContact C-N 3.3Å; E19-K21 PolarHBondContact O-N 3.47Å; K21-S23 VanDerWaalsContact C-N 3.28Å; K21-S23 PolarHBondContact O-N 3.03Å; K21-L24 PolarHBondContact O-N 2.92Å; K21-Q25 PolarHBondContact O-N 3.38Å; K21-Q25 VanDerWaalsContact O-N 3.1Å; K21-Y158 HydrophobicContact CB-CE2 4.49Å
22	D	93.1	Very high	91.3	Very high	92 Å²	92	74.5 Å²	74.5	49%	0.492	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-40	175.7	-68.1	-17.6	0	0	0	110.1	K18 E19 Q25 S26	K18-D22 PolarHBondContact O-N 3.43Å; E19-D22 PolarHBondContact O-N 2.83Å; D22-Q25 PolarHBondContact O-N 3.38Å; D22-S26 PolarHBondContact O-N 3.08Å
23	S	93.3	Very high	91.6	Very high	36 Å²	36	69.8 Å²	69.8	25%	0.252	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-45.9	173.7	-169.2	0	0	0	0	112.8	E19 V20 K21 Q25 S26 H27 D154	E19-S23 WeakPolarHBondContact O-CB 3.48Å; E19-S23 PolarHBondContact O-N 2.91Å; V20-S23 WeakPolarHBondContact O-CB 3.11Å; V20-S23 PolarHBondContact O-N 2.99Å; K21-S23 VanDerWaalsContact C-N 3.28Å; K21-S23 PolarHBondContact O-N 3.03Å; S23-Q25 VanDerWaalsContact C-N 3.27Å; S23-Q25 PolarHBondContact O-N 3.49Å; S23-S26 WeakPolarHBondContact O-CB 3.39Å; S23-S26 PolarHBondContact O-N 3.15Å; S23-H27 WeakPolarHBondContact O-CB 3.32Å; S23-H27 VanDerWaalsContact O-CG 3.26Å; S23-H27 PolarHBondContact O-N 3.46Å; S23-H27 PolarHBondContact O-ND1 3Å; S23-H27 PolarHBondContact OG-CE1 3.16Å; S23-D154 WeakPolarHBondContact CB-OD2 3.48Å; S23-D154 PolarHBondContact OG-OD2 3.47Å
24	L	93.2	Very high	91.8	Very high	20 Å²	20	70.5 Å²	70.5	11%	0.105	35%	0.349	C	S	.	.	H	α-helix	trans	-56.6	-40.9	175.3	-78.8	169.2	0	0	0	112.5	V20 K21 T28 F151 D154 L155 Y158	V20-L24 HydrophobicContact CG1-CD1 4.37Å; V20-L24 WeakPolarHBondContact O-CG 3.41Å; V20-L24 PolarHBondContact O-N 2.83Å; K21-L24 PolarHBondContact O-N 2.92Å; L24-T28 WeakPolarHBondContact O-CB 3.46Å; L24-T28 PolarHBondContact O-N 3.1Å; L24-T28 PolarHBondContact O-OG1 3.29Å; L24-F151 HydrophobicContact CB-CE2 4.44Å; L24-F151 HydrophobicContact CD2-CD2 3.6Å; L24-F151 HydrophobicContact CD2-CE2 3.6Å; L24-F151 HydrophobicContact CD2-CG 4.14Å; L24-F151 HydrophobicContact CD2-CZ 4.13Å; L24-F151 WeakPolarHBondContact CD2-O 3.48Å; L24-D154 HydrophobicContact CD2-CB 3.66Å; L24-D154 HydrophobicContact CG-CB 3.83Å; L24-L155 HydrophobicContact CD2-CB 4.02Å; L24-Y158 HydrophobicContact CD1-CD2 4.37Å; L24-Y158 HydrophobicContact CD1-CG 4.24Å
25	Q	94.3	Very high	91.7	Very high	116 Å²	116	69.4 Å²	69.4	54%	0.542	35%	0.347	S	S	.	.	H	α-helix	trans	-67.6	-46.4	177.8	-174.6	163.9	-20.8	0	0	111.2	K21 D22 S23 H27 T28 E29	K21-Q25 PolarHBondContact O-N 3.38Å; K21-Q25 VanDerWaalsContact O-N 3.1Å; D22-Q25 PolarHBondContact O-N 3.38Å; S23-Q25 VanDerWaalsContact C-N 3.27Å; S23-Q25 PolarHBondContact O-N 3.49Å; Q25-H27 PolarHBondContact O-N 3.48Å; Q25-T28 WeakPolarHBondContact O-CB 3.5Å; Q25-T28 PolarHBondContact O-N 2.85Å; Q25-E29 PolarHBondContact O-N 3.03Å; Q25-E29 VanDerWaalsContact O-N 3.08Å
26	S	94.2	Very high	91.6	Very high	56 Å²	56	71.5 Å²	71.5	39%	0.392	36%	0.355	S	S	.	.	H	α-helix	trans	-56.2	-49.6	174.4	178.9	0	0	0	0	112	D22 S23 T28 E29 I30	D22-S26 PolarHBondContact O-N 3.08Å; S23-S26 WeakPolarHBondContact O-CB 3.39Å; S23-S26 PolarHBondContact O-N 3.15Å; S26-T28 VanDerWaalsContact C-N 3.32Å; S26-T28 PolarHBondContact O-N 3.13Å; S26-E29 PolarHBondContact O-N 3.27Å; S26-I30 WeakPolarHBondContact O-CG1 3.34Å; S26-I30 PolarHBondContact O-N 2.94Å
27	H	90.3	Very high	91.5	Very high	21 Å²	21	71.1 Å²	71.1	10%	0.097	35%	0.35	C	S	.	.	H	α-helix	trans	-59.7	-41	177.2	-66.6	156.2	0	0	0	112.2	S23 Q25 E29 I30 I31 Y147 Y150 F151 D154	S23-H27 WeakPolarHBondContact O-CB 3.32Å; S23-H27 VanDerWaalsContact O-CG 3.26Å; S23-H27 PolarHBondContact O-N 3.46Å; S23-H27 PolarHBondContact O-ND1 3Å; S23-H27 PolarHBondContact OG-CE1 3.16Å; Q25-H27 PolarHBondContact O-N 3.48Å; H27-E29 PolarHBondContact O-N 3.49Å; H27-I30 PolarHBondContact O-N 3.44Å; H27-I31 WeakPolarHBondContact O-CB 3.35Å; H27-I31 WeakPolarHBondContact O-CD1 3.42Å; H27-I31 WeakPolarHBondContact O-CG1 3.32Å; H27-I31 PolarHBondContact O-N 3.37Å; H27-Y147 AromaticContact CD2-CD1 3.55Å; H27-Y147 AromaticContact CD2-CE1 3.89Å; H27-Y150 VanDerWaalsContact CE1-CB 3.42Å; H27-Y150 WeakPolarHBondContact CE1-CB 3.49Å; H27-F151 HydrophobicContact CB-CB 4.03Å; H27-F151 HydrophobicContact CB-CD2 4.23Å; H27-D154 IonicContact CE1-OD2 3.65Å; H27-D154 PolarHBondContact CE1-OD2 3.25Å; H27-D154 IonicContact ND1-OD2 3.64Å; H27-D154 PolarHBondContact ND1-OD2 3.25Å
28	T	92.4	Very high	91.2	Very high	50 Å²	50	70.8 Å²	70.8	31%	0.307	35%	0.348	S	S	.	.	H	α-helix	trans	-60.1	-44.1	176.6	-61.3	0	0	0	0	112.2	L24 Q25 S26 R32 F151	L24-T28 WeakPolarHBondContact O-CB 3.46Å; L24-T28 PolarHBondContact O-N 3.1Å; L24-T28 PolarHBondContact O-OG1 3.29Å; Q25-T28 WeakPolarHBondContact O-CB 3.5Å; Q25-T28 PolarHBondContact O-N 2.85Å; S26-T28 VanDerWaalsContact C-N 3.32Å; S26-T28 PolarHBondContact O-N 3.13Å; T28-R32 WeakPolarHBondContact O-CB 3.4Å; T28-R32 PolarHBondContact O-N 3Å; T28-F151 WeakPolarHBondContact OG1-CE2 3.33Å
29	E	93.4	Very high	90.7	Very high	108 Å²	108	70.5 Å²	70.5	51%	0.505	35%	0.347	S	S	.	.	H	α-helix	trans	-65.2	-42.5	179.4	-70.6	176.8	-174.4	0	0	111.6	Q25 S26 H27 R32 S33	Q25-E29 PolarHBondContact O-N 3.03Å; Q25-E29 VanDerWaalsContact O-N 3.08Å; S26-E29 PolarHBondContact O-N 3.27Å; H27-E29 PolarHBondContact O-N 3.49Å; E29-R32 PolarHBondContact O-N 3.48Å; E29-S33 PolarHBondContact O-N 3.18Å
30	I	91.2	Very high	90.4	Very high	39 Å²	39	67.4 Å²	67.4	20%	0.2	33%	0.332	C	S	.	.	H	α-helix	trans	-65.2	-46.2	177.5	-65	169.3	0	0	0	111	S26 H27 R32 S33 Y34 Y147	S26-I30 WeakPolarHBondContact O-CG1 3.34Å; S26-I30 PolarHBondContact O-N 2.94Å; H27-I30 PolarHBondContact O-N 3.44Å; I30-R32 VanDerWaalsContact C-N 3.27Å; I30-R32 PolarHBondContact O-N 3.33Å; I30-S33 WeakPolarHBondContact O-CB 3.34Å; I30-S33 PolarHBondContact O-N 3.35Å; I30-Y34 HydrophobicContact CG2-CD2 3.82Å; I30-Y34 HydrophobicContact CG2-CE1 4.15Å; I30-Y34 HydrophobicContact CG2-CE2 3.33Å; I30-Y34 HydrophobicContact CG2-CG 4.47Å; I30-Y34 PolarHBondContact O-N 3.44Å; I30-Y147 HydrophobicContact CB-CD1 4.04Å; I30-Y147 HydrophobicContact CB-CE1 4.25Å; I30-Y147 HydrophobicContact CB-CG 4.27Å; I30-Y147 HydrophobicContact CD1-CD1 3.87Å; I30-Y147 HydrophobicContact CD1-CE1 3.3Å; I30-Y147 HydrophobicContact CG1-CE1 4.35Å; I30-Y147 HydrophobicContact CG2-CD1 3.71Å; I30-Y147 HydrophobicContact CG2-CD2 3.61Å; I30-Y147 HydrophobicContact CG2-CE1 3.86Å; I30-Y147 HydrophobicContact CG2-CE2 3.72Å; I30-Y147 HydrophobicContact CG2-CG 3.57Å
31	I	89.7	Confident	89.8	Confident	27 Å²	27	67.1 Å²	67.1	14%	0.138	33%	0.33	C	S	.	.	H	α-helix	trans	-58	-42.6	175.9	-67.8	161.9	0	0	0	110.4	H27 Y34 S35 R144 I148 F151	H27-I31 WeakPolarHBondContact O-CB 3.35Å; H27-I31 WeakPolarHBondContact O-CD1 3.42Å; H27-I31 WeakPolarHBondContact O-CG1 3.32Å; H27-I31 PolarHBondContact O-N 3.37Å; I31-Y34 PolarHBondContact O-N 3.42Å; I31-S35 WeakPolarHBondContact O-CB 3.43Å; I31-S35 PolarHBondContact O-N 2.92Å; I31-S35 PolarHBondContact O-OG 3.18Å; I31-R144 HydrophobicContact CG2-CG 4.41Å; I31-I148 HydrophobicContact CD1-CG1 3.89Å; I31-I148 HydrophobicContact CG1-CG1 4.03Å; I31-I148 HydrophobicContact CG2-CG1 4.14Å; I31-F151 HydrophobicContact CD1-CB 3.89Å; I31-F151 HydrophobicContact CD1-CG 4.29Å
32	R	90.1	Very high	89.1	Confident	153 Å²	153	64 Å²	64	58%	0.577	32%	0.321	S	S	*	.	H	α-helix	trans	-63.6	-47.2	178.2	-172.6	-178.3	-68.3	128.8	-1.1	111.1	T28 E29 I30 Y34 S35 Q36	T28-R32 WeakPolarHBondContact O-CB 3.4Å; T28-R32 PolarHBondContact O-N 3Å; E29-R32 PolarHBondContact O-N 3.48Å; I30-R32 VanDerWaalsContact C-N 3.27Å; I30-R32 PolarHBondContact O-N 3.33Å; R32-Y34 PolarHBondContact O-N 3.1Å; R32-S35 WeakPolarHBondContact O-CB 3.49Å; R32-S35 PolarHBondContact O-N 3.33Å; R32-Q36 PolarHBondContact O-N 2.81Å
33	S	92.3	Very high	88.5	Confident	71 Å²	71	63.6 Å²	63.6	50%	0.497	32%	0.316	S	S	.	.	H	α-helix	trans	-56.4	-48	176.8	179.4	0	0	0	0	111.8	E29 I30 S35 Q36 R37	E29-S33 PolarHBondContact O-N 3.18Å; I30-S33 WeakPolarHBondContact O-CB 3.34Å; I30-S33 PolarHBondContact O-N 3.35Å; S33-S35 PolarHBondContact O-N 2.89Å; S33-Q36 WeakPolarHBondContact O-CB 2.88Å; S33-Q36 PolarHBondContact O-N 3.19Å; S33-R37 PolarHBondContact O-N 3.16Å
34	Y	89	Confident	87.7	Confident	36 Å²	36	67.6 Å²	67.6	14%	0.141	33%	0.329	C	S	.	.	H	α-helix	trans	-68.3	-36.6	178.5	-62.2	-16.8	0	0	0	112.7	I30 I31 R32 Q36 R37 I38 W140 M143 R144 Y147	I30-Y34 HydrophobicContact CG2-CD2 3.82Å; I30-Y34 HydrophobicContact CG2-CE1 4.15Å; I30-Y34 HydrophobicContact CG2-CE2 3.33Å; I30-Y34 HydrophobicContact CG2-CG 4.47Å; I30-Y34 PolarHBondContact O-N 3.44Å; I31-Y34 PolarHBondContact O-N 3.42Å; R32-Y34 PolarHBondContact O-N 3.1Å; Y34-Q36 VanDerWaalsContact C-N 3.29Å; Y34-Q36 PolarHBondContact O-N 3.42Å; Y34-R37 PolarHBondContact O-N 3.12Å; Y34-I38 WeakPolarHBondContact O-CD1 3.2Å; Y34-I38 VanDerWaalsContact O-CG1 3.25Å; Y34-I38 WeakPolarHBondContact O-CG1 3.37Å; Y34-I38 PolarHBondContact O-N 3.22Å; Y34-W140 AromaticContact CD1-CE3 3.56Å; Y34-W140 HydrophobicContact CD1-CE3 3.56Å; Y34-W140 AromaticContact CD1-CZ3 3.51Å; Y34-W140 HydrophobicContact CD1-CZ3 3.51Å; Y34-W140 AromaticContact CE1-CE3 3.85Å; Y34-W140 HydrophobicContact CE1-CE3 3.85Å; Y34-W140 HydrophobicContact CE1-CH2 4.49Å; Y34-W140 AromaticContact CE1-CZ3 3.37Å; Y34-W140 HydrophobicContact CE1-CZ3 3.37Å; Y34-W140 HydrophobicContact CG-CE3 4.18Å; Y34-M143 HydrophobicContact CD2-CB 3.85Å; Y34-M143 HydrophobicContact CE2-CB 3.44Å; Y34-M143 VanDerWaalsContact CE2-CB 3.44Å; Y34-R144 HydrophobicContact CD2-CB 4.28Å; Y34-Y147 HydrophobicContact CD2-CD2 4.36Å; Y34-Y147 AromaticContact CE2-CD2 3.56Å; Y34-Y147 HydrophobicContact CE2-CD2 3.56Å; Y34-Y147 AromaticContact CE2-CE2 3.79Å; Y34-Y147 HydrophobicContact CE2-CE2 3.79Å; Y34-Y147 HydrophobicContact CE2-CG 4.46Å
35	S	87.9	Confident	86.7	Confident	39 Å²	39	68.3 Å²	68.3	27%	0.273	33%	0.333	S	S	.	.	H	α-helix	trans	-59.8	-42.5	173.7	-57.2	0	0	0	0	111.4	I31 R32 S33 K39 R144	I31-S35 WeakPolarHBondContact O-CB 3.43Å; I31-S35 PolarHBondContact O-N 2.92Å; I31-S35 PolarHBondContact O-OG 3.18Å; R32-S35 WeakPolarHBondContact O-CB 3.49Å; R32-S35 PolarHBondContact O-N 3.33Å; S33-S35 PolarHBondContact O-N 2.89Å; S35-K39 WeakPolarHBondContact O-CB 3.49Å; S35-K39 PolarHBondContact O-N 3.09Å; S35-K39 VanDerWaalsContact O-N 3.07Å; S35-R144 WeakPolarHBondContact OG-CD 3.49Å; S35-R144 PolarHBondContact OG-NE 2.95Å
36	Q	89.2	Confident	85.6	Confident	117 Å²	117	69.5 Å²	69.5	55%	0.547	34%	0.337	S	S	.	.	H	α-helix	trans	-64.3	-43.6	176	-175.9	164.5	-9	0	0	111.2	R32 S33 Y34 I38 K39 E40	R32-Q36 PolarHBondContact O-N 2.81Å; S33-Q36 WeakPolarHBondContact O-CB 2.88Å; S33-Q36 PolarHBondContact O-N 3.19Å; Y34-Q36 VanDerWaalsContact C-N 3.29Å; Y34-Q36 PolarHBondContact O-N 3.42Å; Q36-I38 PolarHBondContact O-N 3.17Å; Q36-K39 WeakPolarHBondContact O-CB 3.41Å; Q36-K39 PolarHBondContact O-N 3.01Å; Q36-E40 WeakPolarHBondContact O-CG 3.38Å; Q36-E40 PolarHBondContact O-N 3.4Å
37	R	87.3	Confident	84.6	Confident	78 Å²	78	75.2 Å²	75.2	29%	0.294	35%	0.354	S	S	.	.	H	α-helix	trans	-63.8	-41.9	178.5	-171.1	56.9	179.6	-175.1	-4.2	113.4	S33 Y34 K39 E40 I41 E136 W140	S33-R37 PolarHBondContact O-N 3.16Å; Y34-R37 PolarHBondContact O-N 3.12Å; R37-K39 VanDerWaalsContact C-N 3.3Å; R37-K39 PolarHBondContact O-N 2.86Å; R37-E40 IonicContact NH1-OE2 2.71Å; R37-E40 PolarHBondContact NH1-OE2 2.98Å; R37-E40 VanDerWaalsContact NH1-OE2 3.17Å; R37-E40 PolarHBondContact O-N 2.79Å; R37-I41 HydrophobicContact CG-CD1 4.18Å; R37-I41 WeakPolarHBondContact O-CG1 3.34Å; R37-I41 PolarHBondContact O-N 3.28Å; R37-I41 VanDerWaalsContact O-N 3.07Å; R37-E136 IonicContact CZ-OE1 2.88Å; R37-E136 IonicContact NE-OE1 3.17Å; R37-E136 IonicContact NH2-OE1 3.53Å; R37-E136 PolarHBondContact NH2-OE1 3.35Å; R37-W140 HydrophobicContact CB-CD2 4.33Å; R37-W140 HydrophobicContact CB-CG 4.48Å; R37-W140 HydrophobicContact CG-CD2 3.69Å; R37-W140 HydrophobicContact CG-CE3 4.37Å; R37-W140 HydrophobicContact CG-CG 3.84Å; R37-W140 HydrophobicContact CG-CZ2 4.04Å
38	I	84.5	Confident	83.5	Confident	21 Å²	21	79 Å²	79	11%	0.108	38%	0.375	C	S	.	.	H	α-helix	trans	-59.3	-44.3	173.7	-70.7	159.2	0	0	0	110.4	Y34 Q36 I41 T42 L137 W140 M141 R144	Y34-I38 WeakPolarHBondContact O-CD1 3.2Å; Y34-I38 VanDerWaalsContact O-CG1 3.25Å; Y34-I38 WeakPolarHBondContact O-CG1 3.37Å; Y34-I38 PolarHBondContact O-N 3.22Å; Q36-I38 PolarHBondContact O-N 3.17Å; I38-I41 PolarHBondContact O-N 3.43Å; I38-T42 WeakPolarHBondContact O-CB 3.49Å; I38-T42 PolarHBondContact O-N 3.46Å; I38-T42 PolarHBondContact O-OG1 3.31Å; I38-L137 HydrophobicContact CB-CD1 4.42Å; I38-L137 HydrophobicContact CG1-CD1 4.4Å; I38-L137 HydrophobicContact CG2-CD1 3.93Å; I38-W140 HydrophobicContact CG1-CB 3.83Å; I38-M141 HydrophobicContact CD1-CB 4.44Å; I38-M141 HydrophobicContact CD1-CG 3.82Å; I38-M141 HydrophobicContact CG1-CG 3.93Å; I38-M141 HydrophobicContact CG2-CG 4.4Å; I38-R144 HydrophobicContact CD1-CB 4.01Å; I38-R144 VanDerWaalsContact CD1-CD 3.44Å; I38-R144 HydrophobicContact CD1-CG 4.38Å
39	K	84.1	Confident	81.8	Confident	128 Å²	128	79.9 Å²	79.9	56%	0.557	39%	0.394	S	S	*	.	H	α-helix	trans	-61	-47.6	178	-173.1	178.9	174.4	-178.1	0	111.2	S35 Q36 R37 I41 T42 E43	S35-K39 WeakPolarHBondContact O-CB 3.49Å; S35-K39 PolarHBondContact O-N 3.09Å; S35-K39 VanDerWaalsContact O-N 3.07Å; Q36-K39 WeakPolarHBondContact O-CB 3.41Å; Q36-K39 PolarHBondContact O-N 3.01Å; R37-K39 VanDerWaalsContact C-N 3.3Å; R37-K39 PolarHBondContact O-N 2.86Å; K39-I41 PolarHBondContact O-N 3.4Å; K39-T42 PolarHBondContact O-N 3.02Å; K39-E43 WeakPolarHBondContact CE-OE1 3.25Å; K39-E43 HydrophobicContact CG-CG 4.4Å; K39-E43 WeakPolarHBondContact O-CB 3.47Å; K39-E43 WeakPolarHBondContact O-CG 3.46Å; K39-E43 PolarHBondContact O-N 3.24Å
40	E	85.7	Confident	80.1	Confident	69 Å²	69	82.9 Å²	82.9	32%	0.322	40%	0.401	S	S	.	.	H	α-helix	trans	-58.5	-45.8	177.8	-72.4	172.2	-170.8	0	0	112.9	Q36 R37 T42 E43 K44	Q36-E40 WeakPolarHBondContact O-CG 3.38Å; Q36-E40 PolarHBondContact O-N 3.4Å; R37-E40 IonicContact NH1-OE2 2.71Å; R37-E40 PolarHBondContact NH1-OE2 2.98Å; R37-E40 VanDerWaalsContact NH1-OE2 3.17Å; R37-E40 PolarHBondContact O-N 2.79Å; E40-T42 VanDerWaalsContact C-N 3.35Å; E40-E43 PolarHBondContact O-N 3.2Å; E40-K44 WeakPolarHBondContact O-CB 3.42Å; E40-K44 VanDerWaalsContact O-CG 3.31Å; E40-K44 WeakPolarHBondContact O-CG 3.21Å; E40-K44 PolarHBondContact O-N 2.95Å
41	I	79.6	Confident	78.1	Confident	12 Å²	12	83.6 Å²	83.6	6%	0.062	42%	0.418	C	S	.	.	H	α-helix	trans	-64.7	-43.4	179.2	-66.9	166.6	0	0	0	110.2	R37 I38 K39 K44 D45 E136 L137 W140	R37-I41 HydrophobicContact CG-CD1 4.18Å; R37-I41 WeakPolarHBondContact O-CG1 3.34Å; R37-I41 PolarHBondContact O-N 3.28Å; R37-I41 VanDerWaalsContact O-N 3.07Å; I38-I41 PolarHBondContact O-N 3.43Å; K39-I41 PolarHBondContact O-N 3.4Å; I41-K44 PolarHBondContact O-N 3.07Å; I41-D45 PolarHBondContact O-N 3.33Å; I41-E136 HydrophobicContact CD1-CG 3.87Å; I41-L137 HydrophobicContact CG2-CB 4.14Å; I41-L137 HydrophobicContact CG2-CD1 4.3Å; I41-W140 HydrophobicContact CD1-CG 4.39Å
42	T	76.7	Confident	76.3	Confident	54 Å²	54	86.9 Å²	86.9	33%	0.331	44%	0.436	S	S	.	.	H	α-helix	trans	-65.5	-40.7	179.5	-53.7	0	0	0	0	111.7	I38 K39 E40 D45 K46	I38-T42 WeakPolarHBondContact O-CB 3.49Å; I38-T42 PolarHBondContact O-N 3.46Å; I38-T42 PolarHBondContact O-OG1 3.31Å; K39-T42 PolarHBondContact O-N 3.02Å; E40-T42 VanDerWaalsContact C-N 3.35Å; T42-D45 PolarHBondContact O-N 3.43Å; T42-K46 WeakPolarHBondContact O-CG 3.43Å; T42-K46 PolarHBondContact O-N 3.09Å; T42-K46 VanDerWaalsContact O-N 3.09Å
43	E	80.1	Confident	74.6	Confident	84 Å²	84	84.8 Å²	84.8	39%	0.393	44%	0.435	S	S	.	.	H	α-helix	trans	-68.9	-39.2	177	-75.1	179	-179.4	0	0	112.5	K39 E40 D45 K46 K47	K39-E43 WeakPolarHBondContact CE-OE1 3.25Å; K39-E43 HydrophobicContact CG-CG 4.4Å; K39-E43 WeakPolarHBondContact O-CB 3.47Å; K39-E43 WeakPolarHBondContact O-CG 3.46Å; K39-E43 PolarHBondContact O-N 3.24Å; E40-E43 PolarHBondContact O-N 3.2Å; E43-D45 VanDerWaalsContact C-N 3.35Å; E43-K46 PolarHBondContact O-N 3.23Å; E43-K47 WeakPolarHBondContact O-CG 3.09Å; E43-K47 PolarHBondContact O-N 2.97Å
44	K	76.6	Confident	72.8	Confident	120 Å²	120	88.9 Å²	88.9	52%	0.522	45%	0.446	S	S	.	.	H	α-helix	trans	-62	-42.3	173.4	-77.4	175.3	-179	175.6	0	111.7	E40 I41 K47 N48	E40-K44 WeakPolarHBondContact O-CB 3.42Å; E40-K44 VanDerWaalsContact O-CG 3.31Å; E40-K44 WeakPolarHBondContact O-CG 3.21Å; E40-K44 PolarHBondContact O-N 2.95Å; I41-K44 PolarHBondContact O-N 3.07Å; K44-K47 PolarHBondContact O-N 3.47Å; K44-N48 WeakPolarHBondContact O-CB 3.44Å; K44-N48 PolarHBondContact O-N 3.33Å; K44-N48 VanDerWaalsContact O-N 3.07Å; K44-N48 PolarHBondContact O-ND2 3.36Å
45	D	71.4	Confident	71	Confident	36 Å²	36	94.3 Å²	94.3	19%	0.193	47%	0.467	C	S	.	.	H	α-helix	trans	-64	-41.8	177.8	-158.7	60	0	0	0	111.5	I41 T42 E43	I41-D45 PolarHBondContact O-N 3.33Å; T42-D45 PolarHBondContact O-N 3.43Å; E43-D45 VanDerWaalsContact C-N 3.35Å
46	K	71.5	Confident	69.6	Low	141 Å²	141	92.9 Å²	92.9	61%	0.613	46%	0.456	S	S	*	.	H	α-helix	trans	-60.4	-47.2	173.7	-76.2	177.5	175.2	-179.4	0	112.7	T42 E43 N48	T42-K46 WeakPolarHBondContact O-CG 3.43Å; T42-K46 PolarHBondContact O-N 3.09Å; T42-K46 VanDerWaalsContact O-N 3.09Å; E43-K46 PolarHBondContact O-N 3.23Å; K46-N48 VanDerWaalsContact C-N 3.34Å; K46-N48 PolarHBondContact O-N 3.05Å
47	K	73.2	Confident	68.6	Low	175 Å²	175	90.8 Å²	90.8	76%	0.761	45%	0.448	S	S	*	.	H	α-helix	trans	-66.8	-33.3	-177.8	-76.1	179.7	179.4	178.6	0	113.1	E43 K44 G49	E43-K47 WeakPolarHBondContact O-CG 3.09Å; E43-K47 PolarHBondContact O-N 2.97Å; K44-K47 PolarHBondContact O-N 3.47Å; K47-G49 PolarHBondContact O-N 2.93Å; K47-G49 VanDerWaalsContact O-N 3.16Å
48	N	67.9	Low	68.1	Low	102 Å²	102	91.6 Å²	91.6	55%	0.545	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	2.6	-175.8	-72.8	-21.9	0	0	0	114.2	K44 K46 R50	K44-N48 WeakPolarHBondContact O-CB 3.44Å; K44-N48 PolarHBondContact O-N 3.33Å; K44-N48 VanDerWaalsContact O-N 3.07Å; K44-N48 PolarHBondContact O-ND2 3.36Å; K46-N48 VanDerWaalsContact C-N 3.34Å; K46-N48 PolarHBondContact O-N 3.05Å; N48-R50 PolarHBondContact O-N 2.83Å
49	G	57.2	Low	67.9	Low	68 Å²	68	91 Å²	91	70%	0.701	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	14.5	174.3	0	0	0	0	0	114.4	K47 G51	K47-G49 PolarHBondContact O-N 2.93Å; K47-G49 VanDerWaalsContact O-N 3.16Å; G49-G51 VanDerWaalsContact C-N 3.26Å; G49-G51 PolarHBondContact O-N 2.89Å
50	R	56.3	Low	67.5	Low	170 Å²	170	85.5 Å²	85.5	64%	0.642	43%	0.429	S	S	*	.			trans	-76.8	84	-177.5	-78.2	-170.6	-178.3	-179	0.9	109.9	N48	N48-R50 PolarHBondContact O-N 2.83Å
51	G	49.2	Very low	67.2	Low	55 Å²	55	86.5 Å²	86.5	57%	0.567	43%	0.434	S	S	*	.	S	Bend	trans	0.1	130.5	161.6	0	0	0	0	0	117.7	G49 K131	G49-G51 VanDerWaalsContact C-N 3.26Å; G49-G51 PolarHBondContact O-N 2.89Å; G51-K131 PolarHBondContact O-NZ 3.01Å
52	N	52.7	Low	67.5	Low	96 Å²	96	86.5 Å²	86.5	51%	0.513	44%	0.435	S	S	.	.			trans	81.5	56	171.1	-122.7	-13.5	0	0	0	117.1	Q54 R55 N56	N52-Q54 PolarHBondContact O-N 3.35Å; N52-Q54 VanDerWaalsContact O-N 3.15Å; N52-R55 PolarHBondContact O-N 3.18Å; N52-N56 PolarHBondContact O-N 3.36Å
53	I	54.4	Low	67.8	Low	108 Å²	108	84.4 Å²	84.4	55%	0.554	42%	0.422	S	S	*	.	H	α-helix	trans	-47.1	-38.9	169.3	-68.9	169.3	0	0	0	111.2	N57	I53-N57 WeakPolarHBondContact O-CB 3.41Å; I53-N57 PolarHBondContact O-N 3.17Å; I53-N57 VanDerWaalsContact O-N 3.09Å
54	Q	53.4	Low	67.8	Low	158 Å²	158	83.3 Å²	83.3	74%	0.738	42%	0.418	S	S	*	.	H	α-helix	trans	-69.3	-39.1	-169.3	-147.3	167.7	5.4	0	0	114	N52	N52-Q54 PolarHBondContact O-N 3.35Å; N52-Q54 VanDerWaalsContact O-N 3.15Å
55	R	53.1	Low	68.3	Low	149 Å²	149	82.3 Å²	82.3	56%	0.562	41%	0.413	S	S	*	.	H	α-helix	trans	-84.1	-37.2	177.8	-89.7	-173	-172	175.6	4.5	113.9	N52 N57 Q58 Y59	N52-R55 PolarHBondContact O-N 3.18Å; R55-N57 PolarHBondContact O-N 3.44Å; R55-Q58 WeakPolarHBondContact O-CB 3.4Å; R55-Q58 PolarHBondContact O-N 2.71Å; R55-Y59 PolarHBondContact O-N 2.73Å
56	N	57.9	Low	69.1	Low	10 Å²	10	82.8 Å²	82.8	5%	0.053	41%	0.413	C	S	.	.	H	α-helix	trans	-57.7	-35.4	171.1	-92.9	3.2	0	0	0	111.4	N52 Q58 V60 K131 L134	N52-N56 PolarHBondContact O-N 3.36Å; N56-Q58 VanDerWaalsContact C-N 3.3Å; N56-Q58 PolarHBondContact O-N 3.3Å; N56-V60 WeakPolarHBondContact O-CG2 3.47Å; N56-V60 PolarHBondContact O-N 3.47Å; N56-K131 VanDerWaalsContact ND2-CD 3.25Å; N56-K131 WeakPolarHBondContact ND2-CD 3.09Å; N56-K131 PolarHBondContact ND2-NZ 3.43Å; N56-L134 HydrophobicContact CB-CD2 4.46Å
57	N	67.1	Low	69.6	Low	72 Å²	72	76.6 Å²	76.6	39%	0.385	39%	0.386	S	S	.	.	H	α-helix	trans	-66	-31.3	175.2	-155.5	6.9	0	0	0	111.7	I53 R55 Q61	I53-N57 WeakPolarHBondContact O-CB 3.41Å; I53-N57 PolarHBondContact O-N 3.17Å; I53-N57 VanDerWaalsContact O-N 3.09Å; R55-N57 PolarHBondContact O-N 3.44Å; N57-Q61 PolarHBondContact ND2-NE2 3.18Å; N57-Q61 WeakPolarHBondContact O-CB 3.37Å; N57-Q61 WeakPolarHBondContact O-CG 3.47Å; N57-Q61 PolarHBondContact O-N 3.37Å; N57-Q61 PolarHBondContact OD1-NE2 3.29Å
58	Q	76.8	Confident	70.3	Confident	95 Å²	95	71.8 Å²	71.8	44%	0.444	37%	0.366	S	S	.	.	H	α-helix	trans	-68.3	-44.9	177.9	-69.9	175.1	-30.3	0	0	112.9	R55 N56 C62 L126	R55-Q58 WeakPolarHBondContact O-CB 3.4Å; R55-Q58 PolarHBondContact O-N 2.71Å; N56-Q58 VanDerWaalsContact C-N 3.3Å; N56-Q58 PolarHBondContact O-N 3.3Å; Q58-C62 VanDerWaalsContact O-CB 3.3Å; Q58-C62 WeakPolarHBondContact O-CB 3.44Å; Q58-C62 PolarHBondContact O-N 3.03Å; Q58-L126 HydrophobicContact CB-CD1 4.42Å
59	Y	80.2	Confident	71.2	Confident	8 Å²	8	67.4 Å²	67.4	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-49.4	174.9	171.8	-116.4	0	0	0	111.2	R55 C62 L63 C123 L126 K127 L134	R55-Y59 PolarHBondContact O-N 2.73Å; Y59-C62 WeakPolarHBondContact O-CB 3.4Å; Y59-C62 PolarHBondContact O-N 3.41Å; Y59-L63 HydrophobicContact CD1-CD1 4.05Å; Y59-L63 HydrophobicContact CD2-CD1 4.31Å; Y59-L63 HydrophobicContact CD2-CG 4.37Å; Y59-L63 HydrophobicContact CE1-CD1 3.43Å; Y59-L63 VanDerWaalsContact CE1-CD1 3.43Å; Y59-L63 HydrophobicContact CE1-CG 4.45Å; Y59-L63 HydrophobicContact CE2-CD1 3.76Å; Y59-L63 HydrophobicContact CE2-CD2 4.33Å; Y59-L63 HydrophobicContact CE2-CG 3.96Å; Y59-L63 HydrophobicContact CG-CD1 4.47Å; Y59-L63 PolarHBondContact O-N 3.35Å; Y59-L63 WeakPolarHBondContact OH-CD1 3.38Å; Y59-C123 HydrophobicContact CD2-CB 4.45Å; Y59-C123 WeakPolarHBondContact CD2-O 3.42Å; Y59-C123 HydrophobicContact CE2-CB 4.39Å; Y59-C123 WeakPolarHBondContact CE2-O 3.13Å; Y59-L126 HydrophobicContact CD2-CB 4.37Å; Y59-K127 HydrophobicContact CD2-CB 4.16Å; Y59-K127 HydrophobicContact CE1-CG 4.46Å; Y59-K127 HydrophobicContact CE2-CB 3.93Å; Y59-K127 HydrophobicContact CE2-CD 4.44Å; Y59-K127 HydrophobicContact CE2-CG 4.23Å; Y59-L134 HydrophobicContact CD1-CD1 4.28Å; Y59-L134 HydrophobicContact CE1-CB 4.36Å
60	V	75.9	Confident	72.6	Confident	14 Å²	14	66.6 Å²	66.6	9%	0.085	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-43.8	-179.2	173.7	0	0	0	0	111.1	N56 C62 L63 I64 L134 L137 M141	N56-V60 WeakPolarHBondContact O-CG2 3.47Å; N56-V60 PolarHBondContact O-N 3.47Å; V60-C62 VanDerWaalsContact C-N 3.32Å; V60-C62 PolarHBondContact O-N 3.32Å; V60-L63 PolarHBondContact O-N 3.37Å; V60-I64 HydrophobicContact CG1-CD1 3.86Å; V60-I64 HydrophobicContact CG1-CG1 4.4Å; V60-I64 WeakPolarHBondContact O-CD1 3.36Å; V60-I64 WeakPolarHBondContact O-CG1 3.43Å; V60-I64 PolarHBondContact O-N 3.18Å; V60-L134 HydrophobicContact CG2-CD2 3.78Å; V60-L137 HydrophobicContact CG1-CD2 4.04Å; V60-L137 HydrophobicContact CG2-CD2 4.01Å; V60-M141 HydrophobicContact CG1-SD 3.79Å
61	Q	80.3	Confident	74	Confident	90 Å²	90	60.4 Å²	60.4	42%	0.421	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-38.5	175	-75.9	172.8	3.3	0	0	112.5	N57 I64 K65	N57-Q61 PolarHBondContact ND2-NE2 3.18Å; N57-Q61 WeakPolarHBondContact O-CB 3.37Å; N57-Q61 WeakPolarHBondContact O-CG 3.47Å; N57-Q61 PolarHBondContact O-N 3.37Å; N57-Q61 PolarHBondContact OD1-NE2 3.29Å; Q61-I64 PolarHBondContact O-N 3.4Å; Q61-K65 WeakPolarHBondContact O-CG 3.37Å; Q61-K65 PolarHBondContact O-N 3.2Å
62	C	85.9	Confident	75.7	Confident	11 Å²	11	58.5 Å²	58.5	7%	0.074	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-49	174	-174.7	0	0	0	0	110.4	Q58 Y59 V60 I64 K65 Y66 C123 L126	Q58-C62 VanDerWaalsContact O-CB 3.3Å; Q58-C62 WeakPolarHBondContact O-CB 3.44Å; Q58-C62 PolarHBondContact O-N 3.03Å; Y59-C62 WeakPolarHBondContact O-CB 3.4Å; Y59-C62 PolarHBondContact O-N 3.41Å; V60-C62 VanDerWaalsContact C-N 3.32Å; V60-C62 PolarHBondContact O-N 3.32Å; C62-I64 VanDerWaalsContact C-N 3.33Å; C62-I64 PolarHBondContact O-N 3.49Å; C62-K65 PolarHBondContact O-N 2.81Å; C62-Y66 WeakPolarHBondContact O-CB 3.47Å; C62-Y66 PolarHBondContact O-N 3.43Å; C62-C123 HydrophobicContact CB-CB 3.8Å; C62-C123 WeakPolarHBondContact CB-SG 3.15Å; C62-C123 PolarHBondContact O-SG 2.83Å; C62-C123 VanDerWaalsContact O-SG 3.34Å; C62-C123 WeakPolarHBondContact SG-CA 3.44Å; C62-C123 WeakPolarHBondContact SG-CB 3.32Å; C62-C123 CovalentContact SG-SG 2.06Å; C62-C123 PolarHBondContact SG-SG 3.26Å; C62-L126 HydrophobicContact CB-CD1 3.89Å
63	L	82.5	Confident	77.5	Confident	11 Å²	11	55.1 Å²	55.1	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-42.1	177.5	-74	173.6	0	0	0	112.3	Y59 V60 K65 Y66 M67 C123 S138	Y59-L63 HydrophobicContact CD1-CD1 4.05Å; Y59-L63 HydrophobicContact CD2-CD1 4.31Å; Y59-L63 HydrophobicContact CD2-CG 4.37Å; Y59-L63 HydrophobicContact CE1-CD1 3.43Å; Y59-L63 VanDerWaalsContact CE1-CD1 3.43Å; Y59-L63 HydrophobicContact CE1-CG 4.45Å; Y59-L63 HydrophobicContact CE2-CD1 3.76Å; Y59-L63 HydrophobicContact CE2-CD2 4.33Å; Y59-L63 HydrophobicContact CE2-CG 3.96Å; Y59-L63 HydrophobicContact CG-CD1 4.47Å; Y59-L63 PolarHBondContact O-N 3.35Å; Y59-L63 WeakPolarHBondContact OH-CD1 3.38Å; V60-L63 PolarHBondContact O-N 3.37Å; L63-K65 VanDerWaalsContact C-N 3.33Å; L63-K65 PolarHBondContact O-N 3.46Å; L63-Y66 PolarHBondContact O-N 3.47Å; L63-M67 HydrophobicContact CB-CE 4.29Å; L63-M67 WeakPolarHBondContact O-CB 3.42Å; L63-M67 WeakPolarHBondContact O-CE 3.14Å; L63-M67 VanDerWaalsContact O-CG 3.23Å; L63-M67 WeakPolarHBondContact O-CG 3.43Å; L63-M67 PolarHBondContact O-N 3.37Å; L63-C123 HydrophobicContact CD2-CB 3.92Å; L63-C123 HydrophobicContact CG-CB 4.2Å; L63-S138 WeakPolarHBondContact CD1-OG 3.44Å
64	I	81.3	Confident	79.1	Confident	60 Å²	60	53.9 Å²	53.9	31%	0.308	25%	0.252	S	S	.	.	H	α-helix	trans	-59.3	-46.5	176.6	-67.5	161.8	0	0	0	110.5	V60 Q61 C62 H68 M141	V60-I64 HydrophobicContact CG1-CD1 3.86Å; V60-I64 HydrophobicContact CG1-CG1 4.4Å; V60-I64 WeakPolarHBondContact O-CD1 3.36Å; V60-I64 WeakPolarHBondContact O-CG1 3.43Å; V60-I64 PolarHBondContact O-N 3.18Å; Q61-I64 PolarHBondContact O-N 3.4Å; C62-I64 VanDerWaalsContact C-N 3.33Å; C62-I64 PolarHBondContact O-N 3.49Å; I64-H68 WeakPolarHBondContact O-CB 3.42Å; I64-H68 PolarHBondContact O-N 3.04Å; I64-M141 HydrophobicContact CD1-CE 3.21Å; I64-M141 HydrophobicContact CD1-SD 3.73Å; I64-M141 HydrophobicContact CG1-CE 3.4Å; I64-M141 HydrophobicContact CG1-SD 3.75Å
65	K	86.2	Confident	80.8	Confident	99 Å²	99	47 Å²	47	43%	0.43	22%	0.22	S	C	.	.	H	α-helix	trans	-64	-48.2	178.1	-75.5	179.8	176.1	-176.2	0	111.5	Q61 C62 L63 M67 H68 N69 Y118	Q61-K65 WeakPolarHBondContact O-CG 3.37Å; Q61-K65 PolarHBondContact O-N 3.2Å; C62-K65 PolarHBondContact O-N 2.81Å; L63-K65 VanDerWaalsContact C-N 3.33Å; L63-K65 PolarHBondContact O-N 3.46Å; K65-M67 PolarHBondContact O-N 2.95Å; K65-H68 PolarHBondContact O-N 3.28Å; K65-N69 PolarHBondContact O-N 3.27Å; K65-N69 PolarHBondContact O-ND2 3.09Å; K65-Y118 HydrophobicContact CB-CD1 4.26Å; K65-Y118 HydrophobicContact CB-CG 4.26Å; K65-Y118 HydrophobicContact CD-CD1 4.17Å; K65-Y118 HydrophobicContact CD-CE1 3.79Å
66	Y	87.3	Confident	82.6	Confident	46 Å²	46	41 Å²	41	18%	0.18	20%	0.199	C	C	.	.	H	α-helix	trans	-53.5	-56.7	176.4	167.1	-135.1	0	0	0	110.7	C62 L63 H68 N69 D70 T115 Y118 Q120	C62-Y66 WeakPolarHBondContact O-CB 3.47Å; C62-Y66 PolarHBondContact O-N 3.43Å; L63-Y66 PolarHBondContact O-N 3.47Å; Y66-H68 VanDerWaalsContact C-N 3.31Å; Y66-H68 PolarHBondContact O-N 3.08Å; Y66-N69 PolarHBondContact O-N 3.3Å; Y66-N69 VanDerWaalsContact O-N 3.15Å; Y66-D70 HydrophobicContact CD2-CB 4.37Å; Y66-D70 HydrophobicContact CE2-CB 4.01Å; Y66-D70 WeakPolarHBondContact O-CB 3.19Å; Y66-D70 PolarHBondContact O-N 3.35Å; Y66-T115 HydrophobicContact CD2-CG2 3.92Å; Y66-T115 HydrophobicContact CE2-CG2 3.66Å; Y66-Y118 VanDerWaalsContact CA-O 3.27Å; Y66-Y118 WeakPolarHBondContact CA-O 3.46Å; Y66-Y118 WeakPolarHBondContact CB-O 3.46Å; Y66-Y118 WeakPolarHBondContact CD2-O 3.08Å; Y66-Y118 VanDerWaalsContact CG-O 3.25Å; Y66-Q120 HydrophobicContact CD1-CB 4.28Å; Y66-Q120 HydrophobicContact CE1-CB 3.71Å; Y66-Q120 HydrophobicContact CE1-CG 4.26Å
67	M	83.3	Confident	84.1	Confident	12 Å²	12	44.3 Å²	44.3	6%	0.059	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-41.2	-179.2	-68	-177.2	-60.6	0	0	111.5	L63 K65 N69 D70 Y71 M141 H142	L63-M67 HydrophobicContact CB-CE 4.29Å; L63-M67 WeakPolarHBondContact O-CB 3.42Å; L63-M67 WeakPolarHBondContact O-CE 3.14Å; L63-M67 VanDerWaalsContact O-CG 3.23Å; L63-M67 WeakPolarHBondContact O-CG 3.43Å; L63-M67 PolarHBondContact O-N 3.37Å; K65-M67 PolarHBondContact O-N 2.95Å; M67-N69 VanDerWaalsContact C-N 3.31Å; M67-N69 PolarHBondContact O-N 3.13Å; M67-D70 PolarHBondContact O-N 2.96Å; M67-Y71 HydrophobicContact CB-CD2 4.29Å; M67-Y71 HydrophobicContact CB-CE2 4.5Å; M67-Y71 VanDerWaalsContact O-CB 3.27Å; M67-Y71 WeakPolarHBondContact O-CB 3.4Å; M67-Y71 WeakPolarHBondContact O-CD2 3.37Å; M67-Y71 PolarHBondContact O-N 3.37Å; M67-M141 HydrophobicContact CE-CB 4.07Å; M67-H142 HydrophobicContact CE-CB 4.49Å; M67-H142 VanDerWaalsContact SD-CA 3.55Å; M67-H142 HydrophobicContact SD-CB 3.48Å; M67-H142 WeakPolarHBondContact SD-CB 3.32Å
68	H	86.6	Confident	85.2	Confident	73 Å²	73	44.7 Å²	44.7	34%	0.338	21%	0.214	S	C	.	.	H	α-helix	trans	-58.7	-43.6	176.8	177.9	68.2	0	0	0	112.3	I64 K65 Y66 N72 H145	I64-H68 WeakPolarHBondContact O-CB 3.42Å; I64-H68 PolarHBondContact O-N 3.04Å; K65-H68 PolarHBondContact O-N 3.28Å; Y66-H68 VanDerWaalsContact C-N 3.31Å; Y66-H68 PolarHBondContact O-N 3.08Å; H68-N72 PolarHBondContact CE1-ND2 2.89Å; H68-N72 PolarHBondContact ND1-ND2 2.85Å; H68-N72 WeakPolarHBondContact O-CB 3.49Å; H68-N72 PolarHBondContact O-N 2.94Å; H68-N72 PolarHBondContact O-ND2 3.5Å; H68-H145 WeakPolarHBondContact CA-NE2 3.32Å; H68-H145 AromaticContact ND1-CE1 3.42Å; H68-H145 PolarHBondContact ND1-CE1 2.89Å; H68-H145 AromaticContact ND1-NE2 3.51Å
69	N	87.7	Confident	85.7	Confident	11 Å²	11	40.8 Å²	40.8	6%	0.059	20%	0.196	C	C	.	.	H	α-helix	trans	-71.3	-46	179.9	-58.6	-31.1	0	0	0	111.5	K65 Y66 M67 Y71 N72 H73 Y111 M114 T115	K65-N69 PolarHBondContact O-N 3.27Å; K65-N69 PolarHBondContact O-ND2 3.09Å; Y66-N69 PolarHBondContact O-N 3.3Å; Y66-N69 VanDerWaalsContact O-N 3.15Å; M67-N69 VanDerWaalsContact C-N 3.31Å; M67-N69 PolarHBondContact O-N 3.13Å; N69-Y71 VanDerWaalsContact C-N 3.32Å; N69-Y71 PolarHBondContact O-N 3.07Å; N69-N72 PolarHBondContact O-N 2.89Å; N69-H73 WeakPolarHBondContact O-CB 3.36Å; N69-H73 PolarHBondContact O-N 2.98Å; N69-Y111 HydrophobicContact CB-CD1 4.38Å; N69-M114 HydrophobicContact CB-CB 4.1Å; N69-M114 WeakPolarHBondContact ND2-CB 3.23Å; N69-M114 PolarHBondContact ND2-O 2.88Å; N69-T115 WeakPolarHBondContact CB-OG1 3.42Å
70	D	86.3	Confident	86.2	Confident	50 Å²	50	41.4 Å²	41.4	27%	0.267	20%	0.201	S	C	.	.	H	α-helix	trans	-56.9	-47.6	179.8	-159.5	51.9	0	0	0	110.8	Y66 M67 H73 D74 T115	Y66-D70 HydrophobicContact CD2-CB 4.37Å; Y66-D70 HydrophobicContact CE2-CB 4.01Å; Y66-D70 WeakPolarHBondContact O-CB 3.19Å; Y66-D70 PolarHBondContact O-N 3.35Å; M67-D70 PolarHBondContact O-N 2.96Å; D70-H73 WeakPolarHBondContact O-CB 3.42Å; D70-H73 PolarHBondContact O-N 3.13Å; D70-D74 PolarHBondContact O-N 2.97Å; D70-T115 HydrophobicContact CB-CG2 4.05Å; D70-T115 PolarHBondContact N-OG1 3.42Å; D70-T115 VanDerWaalsContact N-OG1 3.16Å; D70-T115 WeakPolarHBondContact OD1-CG2 3.02Å
71	Y	85.1	Confident	86.8	Confident	40 Å²	40	43.8 Å²	43.8	16%	0.157	21%	0.213	C	C	.	.	H	α-helix	trans	-72	-38.2	179.8	-87	-58.5	0	0	0	114.9	M67 N69 H73 D74 L75 H142 H145 V146 N149	M67-Y71 HydrophobicContact CB-CD2 4.29Å; M67-Y71 HydrophobicContact CB-CE2 4.5Å; M67-Y71 VanDerWaalsContact O-CB 3.27Å; M67-Y71 WeakPolarHBondContact O-CB 3.4Å; M67-Y71 WeakPolarHBondContact O-CD2 3.37Å; M67-Y71 PolarHBondContact O-N 3.37Å; N69-Y71 VanDerWaalsContact C-N 3.32Å; N69-Y71 PolarHBondContact O-N 3.07Å; Y71-H73 VanDerWaalsContact C-N 3.27Å; Y71-D74 PolarHBondContact O-N 3.48Å; Y71-L75 WeakPolarHBondContact O-CB 3.24Å; Y71-L75 PolarHBondContact O-N 3.04Å; Y71-H142 AromaticContact CE2-CE1 3.81Å; Y71-H142 AromaticContact CE2-ND1 3.78Å; Y71-H142 AromaticContact CZ-CE1 3.73Å; Y71-H142 PolarHBondContact OH-CE1 3.46Å; Y71-H142 PolarHBondContact OH-NE2 3.28Å; Y71-H145 HydrophobicContact CD2-CB 4.09Å; Y71-H145 AromaticContact CD2-CD2 3.53Å; Y71-H145 HydrophobicContact CE2-CB 4.35Å; Y71-H145 AromaticContact CG-CD2 3.8Å; Y71-V146 HydrophobicContact CE1-CG2 3.79Å; Y71-V146 HydrophobicContact CE2-CG2 4.07Å; Y71-V146 WeakPolarHBondContact OH-CG2 3.34Å; Y71-N149 WeakPolarHBondContact CB-ND2 3.21Å; Y71-N149 WeakPolarHBondContact CD1-ND2 3.42Å
72	N	86.3	Confident	87.1	Confident	15 Å²	15	40 Å²	40	8%	0.08	20%	0.196	C	C	.	.	H	α-helix	trans	-71.6	-28.7	176.4	-78.3	-72.2	0	0	0	111.2	H68 N69 L75 M76 Y111	H68-N72 PolarHBondContact CE1-ND2 2.89Å; H68-N72 PolarHBondContact ND1-ND2 2.85Å; H68-N72 WeakPolarHBondContact O-CB 3.49Å; H68-N72 PolarHBondContact O-N 2.94Å; H68-N72 PolarHBondContact O-ND2 3.5Å; N69-N72 PolarHBondContact O-N 2.89Å; N72-L75 PolarHBondContact O-N 3.12Å; N72-M76 WeakPolarHBondContact O-CB 3.32Å; N72-M76 WeakPolarHBondContact O-CG 3.44Å; N72-M76 PolarHBondContact O-N 2.74Å; N72-Y111 HydrophobicContact CB-CD1 3.69Å; N72-Y111 HydrophobicContact CB-CD2 3.57Å; N72-Y111 HydrophobicContact CB-CE1 3.61Å; N72-Y111 HydrophobicContact CB-CE2 3.53Å; N72-Y111 HydrophobicContact CB-CG 3.68Å
73	H	89.9	Confident	87	Confident	25 Å²	25	40.1 Å²	40.1	12%	0.116	20%	0.197	C	C	.	.	H	α-helix	trans	-57	-53.2	168.2	173.4	70.7	0	0	0	110.8	N69 D70 Y71 L75 M76 M77 M108	N69-H73 WeakPolarHBondContact O-CB 3.36Å; N69-H73 PolarHBondContact O-N 2.98Å; D70-H73 WeakPolarHBondContact O-CB 3.42Å; D70-H73 PolarHBondContact O-N 3.13Å; Y71-H73 VanDerWaalsContact C-N 3.27Å; H73-L75 PolarHBondContact O-N 3.38Å; H73-M76 PolarHBondContact O-N 3.29Å; H73-M77 PolarHBondContact O-N 3.07Å; H73-M108 WeakPolarHBondContact ND1-CG 3.44Å; H73-M108 PolarHBondContact ND1-O 2.87Å
74	D	88.6	Confident	87.2	Confident	82 Å²	82	42.5 Å²	42.5	44%	0.439	21%	0.209	S	C	.	.	H	α-helix	trans	-62.5	-43.6	178.6	-67.8	-13.9	0	0	0	112.2	D70 Y71 M76 M77 E78	D70-D74 PolarHBondContact O-N 2.97Å; Y71-D74 PolarHBondContact O-N 3.48Å; D74-M76 PolarHBondContact O-N 3.34Å; D74-M77 WeakPolarHBondContact O-CB 3.41Å; D74-M77 PolarHBondContact O-N 3.37Å; D74-E78 PolarHBondContact O-N 3.45Å
75	L	88.9	Confident	87.4	Confident	15 Å²	15	44.3 Å²	44.3	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-61.8	-44.4	179	178	62.4	0	0	0	111.6	Y71 N72 H73 M77 E78 L79 N152	Y71-L75 WeakPolarHBondContact O-CB 3.24Å; Y71-L75 PolarHBondContact O-N 3.04Å; N72-L75 PolarHBondContact O-N 3.12Å; H73-L75 PolarHBondContact O-N 3.38Å; L75-M77 VanDerWaalsContact C-N 3.3Å; L75-M77 PolarHBondContact O-N 2.78Å; L75-E78 PolarHBondContact O-N 2.86Å; L75-L79 HydrophobicContact CD1-CD1 4.25Å; L75-L79 HydrophobicContact CD1-CD2 4.49Å; L75-L79 HydrophobicContact CD1-CG 4.1Å; L75-L79 HydrophobicContact CG-CD1 4.03Å; L75-L79 HydrophobicContact CG-CG 4.31Å; L75-L79 WeakPolarHBondContact O-CB 3.29Å; L75-L79 WeakPolarHBondContact O-CG 3.25Å; L75-L79 PolarHBondContact O-N 2.82Å; L75-N152 HydrophobicContact CD2-CB 3.87Å
76	M	90.9	Very high	87	Confident	23 Å²	23	41.7 Å²	41.7	11%	0.113	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-39.2	178.6	-68.9	-53.6	122.1	0	0	111.5	N72 H73 D74 L79 V80 F104 E107 M108 Y111	N72-M76 WeakPolarHBondContact O-CB 3.32Å; N72-M76 WeakPolarHBondContact O-CG 3.44Å; N72-M76 PolarHBondContact O-N 2.74Å; H73-M76 PolarHBondContact O-N 3.29Å; D74-M76 PolarHBondContact O-N 3.34Å; M76-L79 HydrophobicContact CE-CD1 4.17Å; M76-L79 PolarHBondContact O-N 2.9Å; M76-L79 HydrophobicContact SD-CD1 4.33Å; M76-V80 WeakPolarHBondContact O-CG2 3.29Å; M76-V80 PolarHBondContact O-N 3.44Å; M76-V80 VanDerWaalsContact O-N 3.16Å; M76-F104 HydrophobicContact SD-CB 4.47Å; M76-F104 HydrophobicContact SD-CD1 3.76Å; M76-F104 HydrophobicContact SD-CE1 4.43Å; M76-F104 HydrophobicContact SD-CG 4.42Å; M76-E107 HydrophobicContact CG-CB 3.85Å; M76-E107 HydrophobicContact SD-CB 3.97Å; M76-M108 HydrophobicContact CB-CB 3.71Å; M76-M108 HydrophobicContact CB-CG 4.43Å; M76-Y111 HydrophobicContact CG-CD2 4.15Å; M76-Y111 HydrophobicContact CG-CE2 4.3Å
77	M	89.8	Confident	86.7	Confident	79 Å²	79	40.4 Å²	40.4	39%	0.389	21%	0.205	S	C	.	.	H	α-helix	trans	-61.8	-46.7	174.8	-168.5	-176.8	-54.1	0	0	111.2	H73 D74 L75 L79 V80 N81 M108	H73-M77 PolarHBondContact O-N 3.07Å; D74-M77 WeakPolarHBondContact O-CB 3.41Å; D74-M77 PolarHBondContact O-N 3.37Å; L75-M77 VanDerWaalsContact C-N 3.3Å; L75-M77 PolarHBondContact O-N 2.78Å; M77-L79 VanDerWaalsContact C-N 3.32Å; M77-L79 PolarHBondContact O-N 3.39Å; M77-V80 WeakPolarHBondContact O-CB 3.39Å; M77-V80 PolarHBondContact O-N 3.28Å; M77-N81 PolarHBondContact O-N 2.93Å; M77-N81 VanDerWaalsContact O-N 3.1Å; M77-M108 HydrophobicContact CB-SD 3.79Å; M77-M108 HydrophobicContact CE-SD 3.96Å; M77-M108 HydrophobicContact CG-SD 4.05Å
78	E	89.4	Confident	86.8	Confident	80 Å²	80	47.1 Å²	47.1	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-65.4	-36.3	179.9	-166.3	62.1	-162.9	0	0	112	D74 L75 V80 N81 V82 Y153	D74-E78 PolarHBondContact O-N 3.45Å; L75-E78 PolarHBondContact O-N 2.86Å; E78-V80 VanDerWaalsContact C-N 3.33Å; E78-V80 PolarHBondContact O-N 2.85Å; E78-N81 WeakPolarHBondContact O-CB 3.45Å; E78-N81 PolarHBondContact O-N 3.16Å; E78-N81 PolarHBondContact OE2-ND2 3.42Å; E78-V82 WeakPolarHBondContact O-CG2 3.41Å; E78-V82 PolarHBondContact O-N 3.05Å; E78-Y153 HydrophobicContact CG-CD2 3.79Å; E78-Y153 HydrophobicContact CG-CE2 3.61Å
79	L	88.1	Confident	86.5	Confident	12 Å²	12	48.1 Å²	48.1	6%	0.063	25%	0.252	C	S	.	.	H	α-helix	trans	-65.6	-33.7	175	-70.2	174.4	0	0	0	112.7	L75 M76 M77 V83 F104 F156	L75-L79 HydrophobicContact CD1-CD1 4.25Å; L75-L79 HydrophobicContact CD1-CD2 4.49Å; L75-L79 HydrophobicContact CD1-CG 4.1Å; L75-L79 HydrophobicContact CG-CD1 4.03Å; L75-L79 HydrophobicContact CG-CG 4.31Å; L75-L79 WeakPolarHBondContact O-CB 3.29Å; L75-L79 WeakPolarHBondContact O-CG 3.25Å; L75-L79 PolarHBondContact O-N 2.82Å; M76-L79 HydrophobicContact CE-CD1 4.17Å; M76-L79 PolarHBondContact O-N 2.9Å; M76-L79 HydrophobicContact SD-CD1 4.33Å; M77-L79 VanDerWaalsContact C-N 3.32Å; M77-L79 PolarHBondContact O-N 3.39Å; L79-V83 WeakPolarHBondContact O-CG2 3.48Å; L79-V83 PolarHBondContact O-N 3.5Å; L79-F104 HydrophobicContact CB-CD2 3.75Å; L79-F104 HydrophobicContact CB-CE2 3.67Å; L79-F104 HydrophobicContact CB-CG 4.28Å; L79-F104 HydrophobicContact CB-CZ 4.15Å; L79-F104 HydrophobicContact CD1-CD1 4.48Å; L79-F104 HydrophobicContact CD1-CE1 4.09Å; L79-F104 HydrophobicContact CD1-CE2 4.42Å; L79-F104 HydrophobicContact CD1-CZ 4.04Å; L79-F156 HydrophobicContact CD2-CB 3.72Å; L79-F156 HydrophobicContact CD2-CD1 3.36Å; L79-F156 HydrophobicContact CD2-CD2 4.25Å; L79-F156 HydrophobicContact CD2-CE1 3.98Å; L79-F156 HydrophobicContact CD2-CG 3.51Å
80	V	89.2	Confident	85.9	Confident	22 Å²	22	51.8 Å²	51.8	13%	0.133	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-47.9	170.3	174.3	0	0	0	0	110.1	M76 M77 E78 V82 V83 D84 K101 F104	M76-V80 WeakPolarHBondContact O-CG2 3.29Å; M76-V80 PolarHBondContact O-N 3.44Å; M76-V80 VanDerWaalsContact O-N 3.16Å; M77-V80 WeakPolarHBondContact O-CB 3.39Å; M77-V80 PolarHBondContact O-N 3.28Å; E78-V80 VanDerWaalsContact C-N 3.33Å; E78-V80 PolarHBondContact O-N 2.85Å; V80-V82 VanDerWaalsContact C-N 3.29Å; V80-V82 PolarHBondContact O-N 3.29Å; V80-V83 PolarHBondContact O-N 2.96Å; V80-V83 VanDerWaalsContact O-N 3.12Å; V80-D84 PolarHBondContact O-N 2.9Å; V80-K101 HydrophobicContact CG1-CD 4.29Å; V80-K101 HydrophobicContact CG1-CG 4.31Å; V80-F104 HydrophobicContact CG2-CB 3.58Å; V80-F104 HydrophobicContact CG2-CD2 4.3Å; V80-F104 HydrophobicContact CG2-CG 4.47Å
81	N	89.9	Confident	85.7	Confident	64 Å²	64	56.6 Å²	56.6	34%	0.342	30%	0.297	S	S	.	.	H	α-helix	trans	-58.7	-39.8	178.2	-66.5	-25.1	0	0	0	112.1	M77 E78 D84 N85	M77-N81 PolarHBondContact O-N 2.93Å; M77-N81 VanDerWaalsContact O-N 3.1Å; E78-N81 WeakPolarHBondContact O-CB 3.45Å; E78-N81 PolarHBondContact O-N 3.16Å; E78-N81 PolarHBondContact OE2-ND2 3.42Å; N81-D84 PolarHBondContact O-N 3.45Å; N81-N85 VanDerWaalsContact O-CB 3.25Å; N81-N85 WeakPolarHBondContact O-CB 3.41Å; N81-N85 PolarHBondContact O-N 2.96Å; N81-N85 PolarHBondContact O-ND2 3.39Å
82	V	85.6	Confident	85.2	Confident	9 Å²	9	58.2 Å²	58.2	6%	0.055	31%	0.311	C	S	.	.	H	α-helix	trans	-61.2	-46.4	176.2	169.1	0	0	0	0	111.1	E78 V80 N85 I86 Y153 F156	E78-V82 WeakPolarHBondContact O-CG2 3.41Å; E78-V82 PolarHBondContact O-N 3.05Å; V80-V82 VanDerWaalsContact C-N 3.29Å; V80-V82 PolarHBondContact O-N 3.29Å; V82-N85 PolarHBondContact O-N 3.15Å; V82-I86 HydrophobicContact CG1-CD1 3.7Å; V82-I86 WeakPolarHBondContact O-CB 2.92Å; V82-I86 WeakPolarHBondContact O-CD1 3.27Å; V82-I86 WeakPolarHBondContact O-CG1 3.06Å; V82-I86 PolarHBondContact O-N 2.79Å; V82-Y153 HydrophobicContact CG2-CD2 4.26Å; V82-Y153 HydrophobicContact CG2-CE2 3.35Å; V82-F156 HydrophobicContact CB-CE1 4.29Å; V82-F156 HydrophobicContact CG1-CD1 3.98Å; V82-F156 HydrophobicContact CG1-CE1 3.69Å
83	V	83.6	Confident	84.7	Confident	15 Å²	15	63.2 Å²	63.2	9%	0.091	34%	0.342	C	S	.	.	H	α-helix	trans	-61.9	-46.5	177.2	177	0	0	0	0	110.4	L79 V80 N85 I86 E87 K101 F104 F156	L79-V83 WeakPolarHBondContact O-CG2 3.48Å; L79-V83 PolarHBondContact O-N 3.5Å; V80-V83 PolarHBondContact O-N 2.96Å; V80-V83 VanDerWaalsContact O-N 3.12Å; V83-N85 PolarHBondContact O-N 3.39Å; V83-I86 PolarHBondContact O-N 2.97Å; V83-E87 HydrophobicContact CG1-CG 4.43Å; V83-E87 WeakPolarHBondContact O-CB 3.5Å; V83-E87 WeakPolarHBondContact O-CG 3.47Å; V83-E87 PolarHBondContact O-N 3.37Å; V83-K101 HydrophobicContact CB-CD 4.12Å; V83-K101 HydrophobicContact CB-CG 4Å; V83-K101 HydrophobicContact CG1-CD 3.75Å; V83-K101 HydrophobicContact CG1-CG 3.76Å; V83-F104 HydrophobicContact CG2-CE2 4.47Å; V83-F156 HydrophobicContact CG2-CE1 4.28Å; V83-F156 HydrophobicContact CG2-CZ 4.01Å
84	D	87.1	Confident	84	Confident	61 Å²	61	65.8 Å²	65.8	33%	0.326	36%	0.357	S	S	.	.	H	α-helix	trans	-61.5	-43.8	178.5	-74.4	-25.5	0	0	0	112.1	V80 N81 I86 E87 Q88 K101	V80-D84 PolarHBondContact O-N 2.9Å; N81-D84 PolarHBondContact O-N 3.45Å; D84-I86 PolarHBondContact O-N 3.35Å; D84-E87 PolarHBondContact O-N 3.08Å; D84-Q88 VanDerWaalsContact O-CB 3.24Å; D84-Q88 WeakPolarHBondContact O-CB 3.12Å; D84-Q88 PolarHBondContact O-N 3.38Å; D84-K101 WeakPolarHBondContact OD1-CD 3.21Å; D84-K101 WeakPolarHBondContact OD1-CE 3.11Å; D84-K101 IonicContact OD1-NZ 2.69Å; D84-K101 PolarHBondContact OD1-NZ 2.98Å
85	N	85.7	Confident	83.7	Confident	97 Å²	97	69.1 Å²	69.1	52%	0.519	37%	0.369	S	S	.	.	H	α-helix	trans	-62.9	-42.8	178	-75.2	-26.7	0	0	0	111.7	N81 V82 V83 S89	N81-N85 VanDerWaalsContact O-CB 3.25Å; N81-N85 WeakPolarHBondContact O-CB 3.41Å; N81-N85 PolarHBondContact O-N 2.96Å; N81-N85 PolarHBondContact O-ND2 3.39Å; V82-N85 PolarHBondContact O-N 3.15Å; V83-N85 PolarHBondContact O-N 3.39Å; N85-S89 WeakPolarHBondContact O-CB 3.22Å; N85-S89 PolarHBondContact O-N 3.4Å; N85-S89 PolarHBondContact O-OG 3.4Å
86	I	77.4	Confident	83.2	Confident	45 Å²	45	76 Å²	76	23%	0.231	40%	0.399	C	S	.	.	H	α-helix	trans	-64.2	-48.9	176.1	-72.5	158.3	0	0	0	110.2	V82 V83 D84 Q88 S89 L90 V160 L164	V82-I86 HydrophobicContact CG1-CD1 3.7Å; V82-I86 WeakPolarHBondContact O-CB 2.92Å; V82-I86 WeakPolarHBondContact O-CD1 3.27Å; V82-I86 WeakPolarHBondContact O-CG1 3.06Å; V82-I86 PolarHBondContact O-N 2.79Å; V83-I86 PolarHBondContact O-N 2.97Å; D84-I86 PolarHBondContact O-N 3.35Å; I86-Q88 VanDerWaalsContact C-N 3.34Å; I86-Q88 PolarHBondContact O-N 2.81Å; I86-S89 PolarHBondContact O-N 3.14Å; I86-S89 PolarHBondContact O-OG 3.06Å; I86-L90 HydrophobicContact CG2-CD1 3.86Å; I86-L90 WeakPolarHBondContact O-CB 3.27Å; I86-L90 WeakPolarHBondContact O-CG 3.38Å; I86-L90 PolarHBondContact O-N 2.96Å; I86-V160 HydrophobicContact CD1-CB 4.16Å; I86-V160 HydrophobicContact CD1-CG1 3.44Å; I86-V160 VanDerWaalsContact CD1-CG1 3.44Å; I86-V160 HydrophobicContact CD1-CG2 4.47Å; I86-L164 HydrophobicContact CG2-CD1 4.37Å
87	E	81.6	Confident	82.8	Confident	18 Å²	18	75.6 Å²	75.6	8%	0.084	40%	0.398	C	S	.	.	H	α-helix	trans	-58.3	-45.4	177.9	-77.1	-163.4	129.4	0	0	112.3	V83 D84 L90 N91 V92 T93 D94 S97 K101	V83-E87 HydrophobicContact CG1-CG 4.43Å; V83-E87 WeakPolarHBondContact O-CB 3.5Å; V83-E87 WeakPolarHBondContact O-CG 3.47Å; V83-E87 PolarHBondContact O-N 3.37Å; D84-E87 PolarHBondContact O-N 3.08Å; E87-L90 CarbonylContact O-C 3.55Å; E87-L90 PolarHBondContact O-N 3.5Å; E87-N91 WeakPolarHBondContact O-CA 3.4Å; E87-N91 PolarHBondContact O-N 2.93Å; E87-V92 WeakPolarHBondContact CB-O 3.49Å; E87-V92 HydrophobicContact CG-CG2 4.46Å; E87-V92 PolarHBondContact O-N 3.03Å; E87-T93 WeakPolarHBondContact OE1-CA 3.39Å; E87-D94 PolarHBondContact OE1-N 3.06Å; E87-S97 VanDerWaalsContact OE1-CB 3.31Å; E87-S97 WeakPolarHBondContact OE1-CB 3.39Å; E87-S97 PolarHBondContact OE1-OG 3.46Å; E87-K101 IonicContact OE2-NZ 2.7Å; E87-K101 PolarHBondContact OE2-NZ 3.4Å
88	Q	85.9	Confident	82.6	Confident	154 Å²	154	76.2 Å²	76.2	72%	0.72	40%	0.402	S	S	*	.	H	α-helix	trans	-66.2	-44.8	179.2	-171.2	176.3	10.6	0	0	111.5	D84 I86 L90 N91	D84-Q88 VanDerWaalsContact O-CB 3.24Å; D84-Q88 WeakPolarHBondContact O-CB 3.12Å; D84-Q88 PolarHBondContact O-N 3.38Å; I86-Q88 VanDerWaalsContact C-N 3.34Å; I86-Q88 PolarHBondContact O-N 2.81Å; Q88-L90 PolarHBondContact O-N 2.92Å; Q88-N91 PolarHBondContact O-N 3.46Å
89	S	79.7	Confident	82.5	Confident	93 Å²	93	79.6 Å²	79.6	65%	0.65	42%	0.416	S	S	*	.	H	α-helix	trans	-62.8	-28.4	178.7	72.9	0	0	0	0	112.9	N85 I86	N85-S89 WeakPolarHBondContact O-CB 3.22Å; N85-S89 PolarHBondContact O-N 3.4Å; N85-S89 PolarHBondContact O-OG 3.4Å; I86-S89 PolarHBondContact O-N 3.14Å; I86-S89 PolarHBondContact O-OG 3.06Å
90	L	75.1	Confident	82.5	Confident	89 Å²	89	82.5 Å²	82.5	47%	0.466	43%	0.431	S	S	.	.	H	α-helix	trans	-100	-6.6	-179.6	-63.1	178.3	0	0	0	113.3	I86 E87 Q88 V92 L164	I86-L90 HydrophobicContact CG2-CD1 3.86Å; I86-L90 WeakPolarHBondContact O-CB 3.27Å; I86-L90 WeakPolarHBondContact O-CG 3.38Å; I86-L90 PolarHBondContact O-N 2.96Å; E87-L90 CarbonylContact O-C 3.55Å; E87-L90 PolarHBondContact O-N 3.5Å; Q88-L90 PolarHBondContact O-N 2.92Å; L90-V92 VanDerWaalsContact C-N 3.32Å; L90-V92 HydrophobicContact CB-CG1 4.42Å; L90-V92 HydrophobicContact CB-CG2 3.92Å; L90-V92 PolarHBondContact O-N 3.42Å; L90-L164 HydrophobicContact CD1-CD1 4.4Å; L90-L164 HydrophobicContact CD1-CD2 3.81Å
91	N	82	Confident	82.5	Confident	150 Å²	150	83 Å²	83	80%	0.802	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	49.5	-173.8	-168	44.9	0	0	0	112.7	E87 Q88	E87-N91 WeakPolarHBondContact O-CA 3.4Å; E87-N91 PolarHBondContact O-N 2.93Å; Q88-N91 PolarHBondContact O-N 3.46Å
92	V	74.9	Confident	82.6	Confident	75 Å²	75	83.7 Å²	83.7	46%	0.455	44%	0.435	S	S	.	.			trans	-124.6	155	177.9	-64.6	0	0	0	0	110.7	E87 L90	E87-V92 WeakPolarHBondContact CB-O 3.49Å; E87-V92 HydrophobicContact CG-CG2 4.46Å; E87-V92 PolarHBondContact O-N 3.03Å; L90-V92 VanDerWaalsContact C-N 3.32Å; L90-V92 HydrophobicContact CB-CG1 4.42Å; L90-V92 HydrophobicContact CB-CG2 3.92Å; L90-V92 PolarHBondContact O-N 3.42Å
93	T	75.7	Confident	83	Confident	119 Å²	119	86.4 Å²	86.4	73%	0.73	45%	0.454	S	S	*	.			trans	-131	117.5	166.9	-53.7	0	0	0	0	107.7	E87 L98	E87-T93 WeakPolarHBondContact OE1-CA 3.39Å; T93-L98 HydrophobicContact CG2-CD1 4.16Å
94	D	75	Confident	83.4	Confident	80 Å²	80	87 Å²	87	43%	0.428	46%	0.455	S	S	.	.			trans	-107.2	137.1	-176.5	-175.7	-82.7	0	0	0	111.5	E87 K96 S97 L98	E87-D94 PolarHBondContact OE1-N 3.06Å; D94-K96 PolarHBondContact O-N 3.36Å; D94-K96 VanDerWaalsContact OD1-CA 3.23Å; D94-K96 WeakPolarHBondContact OD1-CA 3.25Å; D94-K96 WeakPolarHBondContact OD1-CB 3.46Å; D94-K96 PolarHBondContact OD1-N 2.89Å; D94-S97 PolarHBondContact O-N 3.39Å; D94-S97 PolarHBondContact O-OG 2.87Å; D94-S97 PolarHBondContact OD1-N 2.84Å; D94-S97 VanDerWaalsContact OD1-N 3.16Å; D94-L98 PolarHBondContact O-N 2.93Å; D94-L98 VanDerWaalsContact O-N 3.14Å
95	Q	81.9	Confident	83.7	Confident	152 Å²	152	86.6 Å²	86.6	71%	0.71	46%	0.455	S	S	*	.	H	α-helix	trans	-69	-25.5	-178.1	-159.5	177.1	6.1	0	0	112.7	K99	Q95-K99 PolarHBondContact O-N 3.3Å
96	K	79.5	Confident	84.2	Confident	159 Å²	159	87.8 Å²	87.8	69%	0.691	46%	0.455	S	S	*	.	H	α-helix	trans	-78.2	-34.2	173.5	-54.8	174.9	177.8	171.9	0	111.4	D94 L98 K99 L100	D94-K96 PolarHBondContact O-N 3.36Å; D94-K96 VanDerWaalsContact OD1-CA 3.23Å; D94-K96 WeakPolarHBondContact OD1-CA 3.25Å; D94-K96 WeakPolarHBondContact OD1-CB 3.46Å; D94-K96 PolarHBondContact OD1-N 2.89Å; K96-L98 VanDerWaalsContact C-N 3.32Å; K96-K99 PolarHBondContact O-N 2.98Å; K96-L100 PolarHBondContact O-N 3.23Å
97	S	82.2	Confident	85	Confident	14 Å²	14	89.6 Å²	89.6	10%	0.098	46%	0.463	C	S	.	.	H	α-helix	trans	-62.3	-41.8	173.3	73.5	0	0	0	0	110.7	E87 D94 K99 L100 K101	E87-S97 VanDerWaalsContact OE1-CB 3.31Å; E87-S97 WeakPolarHBondContact OE1-CB 3.39Å; E87-S97 PolarHBondContact OE1-OG 3.46Å; D94-S97 PolarHBondContact O-N 3.39Å; D94-S97 PolarHBondContact O-OG 2.87Å; D94-S97 PolarHBondContact OD1-N 2.84Å; D94-S97 VanDerWaalsContact OD1-N 3.16Å; S97-K99 VanDerWaalsContact C-N 3.32Å; S97-K99 PolarHBondContact O-N 3.12Å; S97-L100 WeakPolarHBondContact O-CB 3.42Å; S97-L100 PolarHBondContact O-N 3.28Å; S97-L100 VanDerWaalsContact O-N 3.08Å; S97-K101 WeakPolarHBondContact O-CG 3.41Å; S97-K101 PolarHBondContact O-N 3.47Å
98	L	84.5	Confident	85.6	Confident	92 Å²	92	90.4 Å²	90.4	48%	0.482	47%	0.467	S	S	.	.	H	α-helix	trans	-55.3	-46.1	173.1	-87.4	155.2	0	0	0	111.7	T93 D94 K96 K101 D102	T93-L98 HydrophobicContact CG2-CD1 4.16Å; D94-L98 PolarHBondContact O-N 2.93Å; D94-L98 VanDerWaalsContact O-N 3.14Å; K96-L98 VanDerWaalsContact C-N 3.32Å; L98-K101 PolarHBondContact O-N 3.43Å; L98-D102 WeakPolarHBondContact O-CB 3.33Å; L98-D102 PolarHBondContact O-N 3.24Å
99	K	88.7	Confident	86	Confident	152 Å²	152	86.8 Å²	86.8	66%	0.661	45%	0.452	S	S	*	.	H	α-helix	trans	-65.5	-37.4	175.7	-71.2	-179.5	179.7	-178.8	0	112.7	Q95 K96 S97 C103	Q95-K99 PolarHBondContact O-N 3.3Å; K96-K99 PolarHBondContact O-N 2.98Å; S97-K99 VanDerWaalsContact C-N 3.32Å; S97-K99 PolarHBondContact O-N 3.12Å; K99-C103 WeakPolarHBondContact O-CB 3.16Å; K99-C103 PolarHBondContact O-N 2.83Å
100	L	86.8	Confident	86.7	Confident	73 Å²	73	84.5 Å²	84.5	38%	0.382	44%	0.439	S	S	.	.	H	α-helix	trans	-65	-47.9	176.4	-116.3	106	0	0	0	111.1	K96 S97 D102 C103 F104 F156	K96-L100 PolarHBondContact O-N 3.23Å; S97-L100 WeakPolarHBondContact O-CB 3.42Å; S97-L100 PolarHBondContact O-N 3.28Å; S97-L100 VanDerWaalsContact O-N 3.08Å; L100-D102 VanDerWaalsContact C-N 3.33Å; L100-D102 PolarHBondContact O-N 2.94Å; L100-C103 WeakPolarHBondContact O-CB 3.49Å; L100-C103 PolarHBondContact O-N 3.12Å; L100-C103 VanDerWaalsContact O-N 3.15Å; L100-F104 HydrophobicContact CD2-CE2 3.64Å; L100-F104 HydrophobicContact CD2-CZ 3.62Å; L100-F104 HydrophobicContact CG-CE2 4.5Å; L100-F104 HydrophobicContact CG-CZ 4.49Å; L100-F104 WeakPolarHBondContact O-CG 3.2Å; L100-F104 PolarHBondContact O-N 3.42Å; L100-F156 HydrophobicContact CD2-CE2 4.11Å; L100-F156 HydrophobicContact CD2-CZ 4.23Å
101	K	89.6	Confident	87.5	Confident	33 Å²	33	82.5 Å²	82.5	14%	0.143	43%	0.425	C	S	.	.	H	α-helix	trans	-61.6	-41.4	177.8	-69.7	-172.6	-64.5	-167.1	0	111.7	V80 V83 D84 E87 S97 L98 C103 F104 T105	V80-K101 HydrophobicContact CG1-CD 4.29Å; V80-K101 HydrophobicContact CG1-CG 4.31Å; V83-K101 HydrophobicContact CB-CD 4.12Å; V83-K101 HydrophobicContact CB-CG 4Å; V83-K101 HydrophobicContact CG1-CD 3.75Å; V83-K101 HydrophobicContact CG1-CG 3.76Å; D84-K101 WeakPolarHBondContact OD1-CD 3.21Å; D84-K101 WeakPolarHBondContact OD1-CE 3.11Å; D84-K101 IonicContact OD1-NZ 2.69Å; D84-K101 PolarHBondContact OD1-NZ 2.98Å; E87-K101 IonicContact OE2-NZ 2.7Å; E87-K101 PolarHBondContact OE2-NZ 3.4Å; S97-K101 WeakPolarHBondContact O-CG 3.41Å; S97-K101 PolarHBondContact O-N 3.47Å; L98-K101 PolarHBondContact O-N 3.43Å; K101-C103 VanDerWaalsContact C-N 3.34Å; K101-C103 PolarHBondContact O-N 3.29Å; K101-F104 PolarHBondContact O-N 3.22Å; K101-T105 VanDerWaalsContact O-CB 3.32Å; K101-T105 WeakPolarHBondContact O-CB 3.21Å; K101-T105 PolarHBondContact O-N 2.79Å; K101-T105 PolarHBondContact O-OG1 3.41Å
102	D	92.7	Very high	88	Confident	78 Å²	78	80.3 Å²	80.3	42%	0.417	41%	0.41	S	S	.	.	H	α-helix	trans	-61.9	-41.5	174.2	-177.6	51.5	0	0	0	111.8	L98 L100 T105 K106	L98-D102 WeakPolarHBondContact O-CB 3.33Å; L98-D102 PolarHBondContact O-N 3.24Å; L100-D102 VanDerWaalsContact C-N 3.33Å; L100-D102 PolarHBondContact O-N 2.94Å; D102-T105 PolarHBondContact O-N 2.06Å; D102-K106 WeakPolarHBondContact O-CG 3.34Å; D102-K106 PolarHBondContact O-N 2.88Å; D102-K106 WeakPolarHBondContact OD1-CE 3.49Å; D102-K106 IonicContact OD1-NZ 3.57Å; D102-K106 WeakPolarHBondContact OD2-CE 3.44Å; D102-K106 IonicContact OD2-NZ 2.67Å; D102-K106 PolarHBondContact OD2-NZ 2.86Å
103	C	93.5	Very high	88.9	Confident	65 Å²	65	81.3 Å²	81.3	44%	0.439	41%	0.413	S	S	.	.	H	α-helix	trans	-60.6	-51.8	174.1	-171.6	0	0	0	0	111.8	K99 L100 K101 T105 K106 E107	K99-C103 WeakPolarHBondContact O-CB 3.16Å; K99-C103 PolarHBondContact O-N 2.83Å; L100-C103 WeakPolarHBondContact O-CB 3.49Å; L100-C103 PolarHBondContact O-N 3.12Å; L100-C103 VanDerWaalsContact O-N 3.15Å; K101-C103 VanDerWaalsContact C-N 3.34Å; K101-C103 PolarHBondContact O-N 3.29Å; C103-T105 VanDerWaalsContact C-N 3.31Å; C103-T105 PolarHBondContact O-N 3.34Å; C103-K106 PolarHBondContact O-N 3.41Å; C103-E107 WeakPolarHBondContact O-CG 3.43Å; C103-E107 PolarHBondContact O-N 3.22Å
104	F	92.6	Very high	89.7	Confident	29 Å²	29	79.3 Å²	79.3	13%	0.127	40%	0.396	C	S	.	.	H	α-helix	trans	-62.1	-38.3	178.4	-64.2	-29.2	0	0	0	112.3	M76 L79 V80 V83 L100 K101 K106 E107 M108 F156	M76-F104 HydrophobicContact SD-CB 4.47Å; M76-F104 HydrophobicContact SD-CD1 3.76Å; M76-F104 HydrophobicContact SD-CE1 4.43Å; M76-F104 HydrophobicContact SD-CG 4.42Å; L79-F104 HydrophobicContact CB-CD2 3.75Å; L79-F104 HydrophobicContact CB-CE2 3.67Å; L79-F104 HydrophobicContact CB-CG 4.28Å; L79-F104 HydrophobicContact CB-CZ 4.15Å; L79-F104 HydrophobicContact CD1-CD1 4.48Å; L79-F104 HydrophobicContact CD1-CE1 4.09Å; L79-F104 HydrophobicContact CD1-CE2 4.42Å; L79-F104 HydrophobicContact CD1-CZ 4.04Å; V80-F104 HydrophobicContact CG2-CB 3.58Å; V80-F104 HydrophobicContact CG2-CD2 4.3Å; V80-F104 HydrophobicContact CG2-CG 4.47Å; V83-F104 HydrophobicContact CG2-CE2 4.47Å; L100-F104 HydrophobicContact CD2-CE2 3.64Å; L100-F104 HydrophobicContact CD2-CZ 3.62Å; L100-F104 HydrophobicContact CG-CE2 4.5Å; L100-F104 HydrophobicContact CG-CZ 4.49Å; L100-F104 WeakPolarHBondContact O-CG 3.2Å; L100-F104 PolarHBondContact O-N 3.42Å; K101-F104 PolarHBondContact O-N 3.22Å; F104-K106 PolarHBondContact O-N 3.46Å; F104-E107 PolarHBondContact O-N 3.23Å; F104-M108 WeakPolarHBondContact O-CB 2.98Å; F104-M108 PolarHBondContact O-N 3.21Å; F104-F156 HydrophobicContact CE2-CE2 4.46Å; F104-F156 HydrophobicContact CE2-CZ 4.26Å; F104-F156 HydrophobicContact CZ-CE2 4.2Å; F104-F156 HydrophobicContact CZ-CZ 4.45Å
105	T	93.4	Very high	90.4	Very high	51 Å²	51	76.4 Å²	76.4	31%	0.313	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-42.2	176.2	-58.5	0	0	0	0	111.4	K101 D102 C103 M108 I109	K101-T105 VanDerWaalsContact O-CB 3.32Å; K101-T105 WeakPolarHBondContact O-CB 3.21Å; K101-T105 PolarHBondContact O-N 2.79Å; K101-T105 PolarHBondContact O-OG1 3.41Å; D102-T105 PolarHBondContact O-N 2.06Å; C103-T105 VanDerWaalsContact C-N 3.31Å; C103-T105 PolarHBondContact O-N 3.34Å; T105-M108 HydrophobicContact CG2-CE 4.29Å; T105-M108 WeakPolarHBondContact O-CB 3.47Å; T105-M108 PolarHBondContact O-N 3.39Å; T105-I109 HydrophobicContact CG2-CD1 4.2Å; T105-I109 VanDerWaalsContact O-CG1 3.31Å; T105-I109 WeakPolarHBondContact O-CG1 3.43Å; T105-I109 PolarHBondContact O-N 2.83Å; T105-I109 VanDerWaalsContact O-N 3.08Å
106	K	95.6	Very high	90.7	Very high	122 Å²	122	77.1 Å²	77.1	53%	0.53	38%	0.382	S	S	.	.	H	α-helix	trans	-64.9	-46	176.8	-75.4	167.1	178.6	164.6	0	112.1	D102 C103 F104 I109 A110	D102-K106 WeakPolarHBondContact O-CG 3.34Å; D102-K106 PolarHBondContact O-N 2.88Å; D102-K106 WeakPolarHBondContact OD1-CE 3.49Å; D102-K106 IonicContact OD1-NZ 3.57Å; D102-K106 WeakPolarHBondContact OD2-CE 3.44Å; D102-K106 IonicContact OD2-NZ 2.67Å; D102-K106 PolarHBondContact OD2-NZ 2.86Å; C103-K106 PolarHBondContact O-N 3.41Å; F104-K106 PolarHBondContact O-N 3.46Å; K106-I109 PolarHBondContact O-N 3.35Å; K106-A110 PolarHBondContact O-N 3.03Å
107	E	94.3	Very high	91	Very high	84 Å²	84	74.3 Å²	74.3	39%	0.393	37%	0.374	S	S	.	.	H	α-helix	trans	-62.7	-43.4	175.8	-71	-66.2	142.8	0	0	111.2	M76 C103 F104 I109 A110 Y111	M76-E107 HydrophobicContact CG-CB 3.85Å; M76-E107 HydrophobicContact SD-CB 3.97Å; C103-E107 WeakPolarHBondContact O-CG 3.43Å; C103-E107 PolarHBondContact O-N 3.22Å; F104-E107 PolarHBondContact O-N 3.23Å; E107-I109 VanDerWaalsContact C-N 3.32Å; E107-I109 PolarHBondContact O-N 3.05Å; E107-A110 WeakPolarHBondContact O-CB 3.4Å; E107-A110 PolarHBondContact O-N 3.2Å; E107-A110 VanDerWaalsContact O-N 3.09Å; E107-Y111 HydrophobicContact CB-CD2 4.4Å; E107-Y111 HydrophobicContact CB-CE2 4.21Å; E107-Y111 WeakPolarHBondContact O-CD2 3.48Å; E107-Y111 PolarHBondContact O-N 2.96Å
108	M	93.9	Very high	91.1	Very high	35 Å²	35	77 Å²	77	17%	0.172	38%	0.382	C	S	.	.	H	α-helix	trans	-54.5	-46.5	175.6	-179.1	-172	70.2	0	0	111.7	H73 M76 M77 F104 T105 Y111 Q112	H73-M108 WeakPolarHBondContact ND1-CG 3.44Å; H73-M108 PolarHBondContact ND1-O 2.87Å; M76-M108 HydrophobicContact CB-CB 3.71Å; M76-M108 HydrophobicContact CB-CG 4.43Å; M77-M108 HydrophobicContact CB-SD 3.79Å; M77-M108 HydrophobicContact CE-SD 3.96Å; M77-M108 HydrophobicContact CG-SD 4.05Å; F104-M108 WeakPolarHBondContact O-CB 2.98Å; F104-M108 PolarHBondContact O-N 3.21Å; T105-M108 HydrophobicContact CG2-CE 4.29Å; T105-M108 WeakPolarHBondContact O-CB 3.47Å; T105-M108 PolarHBondContact O-N 3.39Å; M108-Y111 PolarHBondContact O-N 3.09Å; M108-Q112 WeakPolarHBondContact O-CB 3.11Å; M108-Q112 PolarHBondContact O-N 2.99Å
109	I	94.1	Very high	91.2	Very high	78 Å²	78	74.8 Å²	74.8	40%	0.4	37%	0.371	S	S	.	.	H	α-helix	trans	-65.4	-41.6	177.1	-67.3	164.8	0	0	0	110.8	T105 K106 E107 Q112 N113	T105-I109 HydrophobicContact CG2-CD1 4.2Å; T105-I109 VanDerWaalsContact O-CG1 3.31Å; T105-I109 WeakPolarHBondContact O-CG1 3.43Å; T105-I109 PolarHBondContact O-N 2.83Å; T105-I109 VanDerWaalsContact O-N 3.08Å; K106-I109 PolarHBondContact O-N 3.35Å; E107-I109 VanDerWaalsContact C-N 3.32Å; E107-I109 PolarHBondContact O-N 3.05Å; I109-Q112 WeakPolarHBondContact O-CB 3.3Å; I109-Q112 PolarHBondContact O-N 3.05Å; I109-N113 PolarHBondContact O-N 3.29Å; I109-N113 PolarHBondContact O-ND2 3.06Å
110	A	94.4	Very high	91.1	Very high	45 Å²	45	72.9 Å²	72.9	37%	0.372	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-46.6	177.4	0	0	0	0	0	111.5	K106 E107 N113 M114	K106-A110 PolarHBondContact O-N 3.03Å; E107-A110 WeakPolarHBondContact O-CB 3.4Å; E107-A110 PolarHBondContact O-N 3.2Å; E107-A110 VanDerWaalsContact O-N 3.09Å; A110-N113 PolarHBondContact O-N 3.43Å; A110-M114 WeakPolarHBondContact O-CG 3.36Å; A110-M114 PolarHBondContact O-N 2.58Å
111	Y	93	Very high	91.2	Very high	47 Å²	47	77 Å²	77	18%	0.184	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-41.7	175.6	-74	-61	0	0	0	112.1	N69 N72 M76 E107 M108 N113 M114 T115	N69-Y111 HydrophobicContact CB-CD1 4.38Å; N72-Y111 HydrophobicContact CB-CD1 3.69Å; N72-Y111 HydrophobicContact CB-CD2 3.57Å; N72-Y111 HydrophobicContact CB-CE1 3.61Å; N72-Y111 HydrophobicContact CB-CE2 3.53Å; N72-Y111 HydrophobicContact CB-CG 3.68Å; M76-Y111 HydrophobicContact CG-CD2 4.15Å; M76-Y111 HydrophobicContact CG-CE2 4.3Å; E107-Y111 HydrophobicContact CB-CD2 4.4Å; E107-Y111 HydrophobicContact CB-CE2 4.21Å; E107-Y111 WeakPolarHBondContact O-CD2 3.48Å; E107-Y111 PolarHBondContact O-N 2.96Å; M108-Y111 PolarHBondContact O-N 3.09Å; Y111-N113 VanDerWaalsContact C-N 3.32Å; Y111-N113 PolarHBondContact O-N 2.94Å; Y111-M114 CarbonylContact O-C 3.57Å; Y111-M114 PolarHBondContact O-N 2.91Å; Y111-M114 VanDerWaalsContact O-N 3.08Å; Y111-T115 PolarHBondContact O-N 3.44Å; Y111-T115 PolarHBondContact O-OG1 3.12Å
112	Q	92.7	Very high	91.1	Very high	103 Å²	103	77.8 Å²	77.8	48%	0.481	39%	0.387	S	S	.	.	H	α-helix	trans	-55.7	-46.8	175.7	-166	178.5	12	0	0	111.9	M108 I109 M114 T115 F116	M108-Q112 WeakPolarHBondContact O-CB 3.11Å; M108-Q112 PolarHBondContact O-N 2.99Å; I109-Q112 WeakPolarHBondContact O-CB 3.3Å; I109-Q112 PolarHBondContact O-N 3.05Å; Q112-M114 VanDerWaalsContact C-N 3.32Å; Q112-M114 PolarHBondContact O-N 3.08Å; Q112-T115 PolarHBondContact O-N 2.99Å; Q112-F116 PolarHBondContact O-N 2.92Å
113	N	93.6	Very high	90.8	Very high	96 Å²	96	74 Å²	74	51%	0.513	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-40.9	177.1	-71.5	-29.3	0	0	0	111.6	I109 A110 Y111 F116 I117	I109-N113 PolarHBondContact O-N 3.29Å; I109-N113 PolarHBondContact O-ND2 3.06Å; A110-N113 PolarHBondContact O-N 3.43Å; Y111-N113 VanDerWaalsContact C-N 3.32Å; Y111-N113 PolarHBondContact O-N 2.94Å; N113-F116 WeakPolarHBondContact O-CB 3.43Å; N113-F116 PolarHBondContact O-N 3.4Å; N113-I117 WeakPolarHBondContact O-CG1 3.42Å; N113-I117 PolarHBondContact O-N 3.33Å
114	M	92.3	Very high	90.3	Very high	77 Å²	77	74.1 Å²	74.1	38%	0.379	36%	0.363	S	S	.	.	H	α-helix	trans	-69.4	-33.7	178.4	-70.4	-66.6	-72.9	0	0	112.6	N69 A110 Y111 Q112 F116 I117 Y118	N69-M114 HydrophobicContact CB-CB 4.1Å; N69-M114 WeakPolarHBondContact ND2-CB 3.23Å; N69-M114 PolarHBondContact ND2-O 2.88Å; A110-M114 WeakPolarHBondContact O-CG 3.36Å; A110-M114 PolarHBondContact O-N 2.58Å; Y111-M114 CarbonylContact O-C 3.57Å; Y111-M114 PolarHBondContact O-N 2.91Å; Y111-M114 VanDerWaalsContact O-N 3.08Å; Q112-M114 VanDerWaalsContact C-N 3.32Å; Q112-M114 PolarHBondContact O-N 3.08Å; M114-F116 VanDerWaalsContact C-N 3.34Å; M114-I117 PolarHBondContact O-N 2.85Å; M114-I117 HydrophobicContact SD-CD1 4.27Å; M114-Y118 HydrophobicContact CE-CD2 4.09Å; M114-Y118 HydrophobicContact CE-CE2 3.75Å; M114-Y118 WeakPolarHBondContact O-CB 3.2Å; M114-Y118 PolarHBondContact O-N 3.29Å
115	T	89.2	Confident	90	Very high	19 Å²	19	79.5 Å²	79.5	12%	0.117	39%	0.389	C	S	.	.	H	α-helix	trans	-65.4	-37.9	171.8	-55.5	0	0	0	0	111.2	Y66 N69 D70 Y111 Q112 I117 Y118 N119	Y66-T115 HydrophobicContact CD2-CG2 3.92Å; Y66-T115 HydrophobicContact CE2-CG2 3.66Å; N69-T115 WeakPolarHBondContact CB-OG1 3.42Å; D70-T115 HydrophobicContact CB-CG2 4.05Å; D70-T115 PolarHBondContact N-OG1 3.42Å; D70-T115 VanDerWaalsContact N-OG1 3.16Å; D70-T115 WeakPolarHBondContact OD1-CG2 3.02Å; Y111-T115 PolarHBondContact O-N 3.44Å; Y111-T115 PolarHBondContact O-OG1 3.12Å; Q112-T115 PolarHBondContact O-N 2.99Å; T115-I117 VanDerWaalsContact C-N 3.34Å; T115-I117 PolarHBondContact O-N 3.17Å; T115-Y118 CarbonylContact O-C 3.14Å; T115-Y118 VanDerWaalsContact O-O 3.13Å; T115-N119 WeakPolarHBondContact O-CA 3.16Å; T115-N119 WeakPolarHBondContact O-CB 3.29Å; T115-N119 PolarHBondContact O-N 2.83Å
116	F	88.9	Confident	89.4	Confident	167 Å²	167	80.5 Å²	80.5	73%	0.732	39%	0.392	S	S	*	.	H	α-helix	trans	-61.5	-42.7	174.4	-176.5	-96.8	0	0	0	111.9	Q112 N113 M114 N119	Q112-F116 PolarHBondContact O-N 2.92Å; N113-F116 WeakPolarHBondContact O-CB 3.43Å; N113-F116 PolarHBondContact O-N 3.4Å; M114-F116 VanDerWaalsContact C-N 3.34Å; F116-N119 PolarHBondContact O-ND2 3.36Å
117	I	85.7	Confident	88.5	Confident	100 Å²	100	79.4 Å²	79.4	51%	0.513	39%	0.387	S	S	.	.	H	α-helix	trans	-69.2	-50	177.1	-62.3	170.3	0	0	0	111.1	N113 M114 T115	N113-I117 WeakPolarHBondContact O-CG1 3.42Å; N113-I117 PolarHBondContact O-N 3.33Å; M114-I117 PolarHBondContact O-N 2.85Å; M114-I117 HydrophobicContact SD-CD1 4.27Å; T115-I117 VanDerWaalsContact C-N 3.34Å; T115-I117 PolarHBondContact O-N 3.17Å
118	Y	84.3	Confident	87.3	Confident	70 Å²	70	79.3 Å²	79.3	28%	0.275	39%	0.386	S	S	.	.	S	Bend	trans	-101.7	75.9	179.6	-66.1	-81.4	0	0	0	109.7	K65 Y66 M114 T115	K65-Y118 HydrophobicContact CB-CD1 4.26Å; K65-Y118 HydrophobicContact CB-CG 4.26Å; K65-Y118 HydrophobicContact CD-CD1 4.17Å; K65-Y118 HydrophobicContact CD-CE1 3.79Å; Y66-Y118 VanDerWaalsContact CA-O 3.27Å; Y66-Y118 WeakPolarHBondContact CA-O 3.46Å; Y66-Y118 WeakPolarHBondContact CB-O 3.46Å; Y66-Y118 WeakPolarHBondContact CD2-O 3.08Å; Y66-Y118 VanDerWaalsContact CG-O 3.25Å; M114-Y118 HydrophobicContact CE-CD2 4.09Å; M114-Y118 HydrophobicContact CE-CE2 3.75Å; M114-Y118 WeakPolarHBondContact O-CB 3.2Å; M114-Y118 PolarHBondContact O-N 3.29Å; T115-Y118 CarbonylContact O-C 3.14Å; T115-Y118 VanDerWaalsContact O-O 3.13Å
119	N	86.9	Confident	85.6	Confident	46 Å²	46	83.1 Å²	83.1	25%	0.246	42%	0.417	C	S	.	.			trans	-103	167.2	178.4	62	55.6	0	0	0	112.5	T115 F116 K121 T122 C123	T115-N119 WeakPolarHBondContact O-CA 3.16Å; T115-N119 WeakPolarHBondContact O-CB 3.29Å; T115-N119 PolarHBondContact O-N 2.83Å; F116-N119 PolarHBondContact O-ND2 3.36Å; N119-K121 VanDerWaalsContact C-N 3.26Å; N119-K121 PolarHBondContact O-N 3.1Å; N119-K121 WeakPolarHBondContact OD1-CA 3.46Å; N119-K121 WeakPolarHBondContact OD1-CB 3.28Å; N119-K121 PolarHBondContact OD1-N 3.29Å; N119-K121 VanDerWaalsContact OD1-N 3.12Å; N119-T122 PolarHBondContact ND2-OG1 2.95Å; N119-T122 WeakPolarHBondContact O-CB 3.36Å; N119-T122 PolarHBondContact O-N 3.22Å; N119-T122 VanDerWaalsContact O-N 3.12Å; N119-T122 PolarHBondContact OD1-N 2.77Å; N119-T122 PolarHBondContact OD1-OG1 2.89Å; N119-C123 PolarHBondContact O-N 3.17Å; N119-C123 PolarHBondContact O-SG 3.48Å
120	Q	85.2	Confident	83.8	Confident	112 Å²	112	87.2 Å²	87.2	52%	0.523	44%	0.439	S	S	.	.	H	α-helix	trans	-56.3	-37.9	179.8	-161.7	-177.5	16.4	0	0	113	Y66 C123 N124	Y66-Q120 HydrophobicContact CD1-CB 4.28Å; Y66-Q120 HydrophobicContact CE1-CB 3.71Å; Y66-Q120 HydrophobicContact CE1-CG 4.26Å; Q120-C123 PolarHBondContact O-N 3.08Å; Q120-N124 VanDerWaalsContact O-CB 3.29Å; Q120-N124 WeakPolarHBondContact O-CB 3.33Å; Q120-N124 PolarHBondContact O-N 2.88Å; Q120-N124 PolarHBondContact O-ND2 2.91Å
121	K	88.5	Confident	82.3	Confident	159 Å²	159	87.7 Å²	87.7	69%	0.691	43%	0.433	S	S	*	.	H	α-helix	trans	-62.7	-45.8	178	-179.3	-177.6	178.3	-178.3	0	111.1	N119 N124 Q125	N119-K121 VanDerWaalsContact C-N 3.26Å; N119-K121 PolarHBondContact O-N 3.1Å; N119-K121 WeakPolarHBondContact OD1-CA 3.46Å; N119-K121 WeakPolarHBondContact OD1-CB 3.28Å; N119-K121 PolarHBondContact OD1-N 3.29Å; N119-K121 VanDerWaalsContact OD1-N 3.12Å; K121-N124 PolarHBondContact O-N 2.95Å; K121-Q125 PolarHBondContact O-N 3.4Å
122	T	89	Confident	81	Confident	50 Å²	50	94.3 Å²	94.3	31%	0.307	46%	0.463	S	S	.	.	H	α-helix	trans	-62.6	-45.1	177.4	-55.4	0	0	0	0	110.6	N119 N124 Q125	N119-T122 PolarHBondContact ND2-OG1 2.95Å; N119-T122 WeakPolarHBondContact O-CB 3.36Å; N119-T122 PolarHBondContact O-N 3.22Å; N119-T122 VanDerWaalsContact O-N 3.12Å; N119-T122 PolarHBondContact OD1-N 2.77Å; N119-T122 PolarHBondContact OD1-OG1 2.89Å; T122-N124 PolarHBondContact O-N 3.28Å; T122-Q125 WeakPolarHBondContact O-CB 3.47Å; T122-Q125 PolarHBondContact O-N 3.32Å
123	C	86.7	Confident	79.7	Confident	0 Å²	0	92.2 Å²	92.2	0%	0	46%	0.455	C	S	.	.	H	α-helix	trans	-65	-40.7	176.2	-58.2	0	0	0	0	111.9	Y59 C62 L63 N119 Q120 Q125 L126	Y59-C123 HydrophobicContact CD2-CB 4.45Å; Y59-C123 WeakPolarHBondContact CD2-O 3.42Å; Y59-C123 HydrophobicContact CE2-CB 4.39Å; Y59-C123 WeakPolarHBondContact CE2-O 3.13Å; C62-C123 HydrophobicContact CB-CB 3.8Å; C62-C123 WeakPolarHBondContact CB-SG 3.15Å; C62-C123 PolarHBondContact O-SG 2.83Å; C62-C123 VanDerWaalsContact O-SG 3.34Å; C62-C123 WeakPolarHBondContact SG-CA 3.44Å; C62-C123 WeakPolarHBondContact SG-CB 3.32Å; C62-C123 CovalentContact SG-SG 2.06Å; C62-C123 PolarHBondContact SG-SG 3.26Å; L63-C123 HydrophobicContact CD2-CB 3.92Å; L63-C123 HydrophobicContact CG-CB 4.2Å; N119-C123 PolarHBondContact O-N 3.17Å; N119-C123 PolarHBondContact O-SG 3.48Å; Q120-C123 PolarHBondContact O-N 3.08Å; C123-Q125 PolarHBondContact O-N 2.96Å; C123-L126 WeakPolarHBondContact O-CA 3.29Å; C123-L126 WeakPolarHBondContact O-CB 3.49Å; C123-L126 PolarHBondContact O-N 3.34Å
124	N	83.3	Confident	78.6	Confident	66 Å²	66	88.3 Å²	88.3	35%	0.353	43%	0.434	S	S	.	.	H	α-helix	trans	-61.5	-24.9	178.3	-77.6	-24.3	0	0	0	113.5	Q120 K121 T122 L126 K127	Q120-N124 VanDerWaalsContact O-CB 3.29Å; Q120-N124 WeakPolarHBondContact O-CB 3.33Å; Q120-N124 PolarHBondContact O-N 2.88Å; Q120-N124 PolarHBondContact O-ND2 2.91Å; K121-N124 PolarHBondContact O-N 2.95Å; T122-N124 PolarHBondContact O-N 3.28Å; N124-L126 PolarHBondContact O-N 3.32Å; N124-K127 WeakPolarHBondContact O-CB 3.48Å; N124-K127 PolarHBondContact O-N 3.28Å; N124-K127 VanDerWaalsContact O-N 3.08Å
125	Q	85.7	Confident	77.7	Confident	143 Å²	143	88.2 Å²	88.2	67%	0.668	44%	0.435	S	S	*	.	H	α-helix	trans	-65.4	-23.7	172	-67.8	171.3	-16.3	0	0	112.8	K121 T122 C123 K127	K121-Q125 PolarHBondContact O-N 3.4Å; T122-Q125 WeakPolarHBondContact O-CB 3.47Å; T122-Q125 PolarHBondContact O-N 3.32Å; C123-Q125 PolarHBondContact O-N 2.96Å; Q125-K127 VanDerWaalsContact C-N 3.33Å
126	L	81.1	Confident	77.2	Confident	72 Å²	72	90.4 Å²	90.4	38%	0.377	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-5.7	175.6	-54.3	174.4	0	0	0	112.3	Q58 Y59 C62 C123 N124 Q128	Q58-L126 HydrophobicContact CB-CD1 4.42Å; Y59-L126 HydrophobicContact CD2-CB 4.37Å; C62-L126 HydrophobicContact CB-CD1 3.89Å; C123-L126 WeakPolarHBondContact O-CA 3.29Å; C123-L126 WeakPolarHBondContact O-CB 3.49Å; C123-L126 PolarHBondContact O-N 3.34Å; N124-L126 PolarHBondContact O-N 3.32Å; L126-Q128 PolarHBondContact O-N 3.25Å
127	K	76.2	Confident	76.7	Confident	99 Å²	99	83.4 Å²	83.4	43%	0.43	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-73.6	117.6	-176.2	-167.9	175.7	-173.1	168.2	0	110.3	Y59 N124 Q125 N135	Y59-K127 HydrophobicContact CD2-CB 4.16Å; Y59-K127 HydrophobicContact CE1-CG 4.46Å; Y59-K127 HydrophobicContact CE2-CB 3.93Å; Y59-K127 HydrophobicContact CE2-CD 4.44Å; Y59-K127 HydrophobicContact CE2-CG 4.23Å; N124-K127 WeakPolarHBondContact O-CB 3.48Å; N124-K127 PolarHBondContact O-N 3.28Å; N124-K127 VanDerWaalsContact O-N 3.08Å; Q125-K127 VanDerWaalsContact C-N 3.33Å; K127-N135 PolarHBondContact NZ-OD1 2.78Å
128	Q	69.3	Low	76.3	Confident	81 Å²	81	79.4 Å²	79.4	38%	0.379	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-86.6	147.8	173.6	-65.2	-174.4	5.9	0	0	111.5	L126 N130	L126-Q128 PolarHBondContact O-N 3.25Å; Q128-N130 PolarHBondContact O-N 3.42Å
129	S	58.1	Low	76.2	Confident	116 Å²	116	80.9 Å²	80.9	81%	0.811	41%	0.408	S	S	*	.	S	Bend	trans	-61.1	131.3	173.1	43	0	0	0	0	110.9
130	N	55.6	Low	76.1	Confident	163 Å²	163	82.3 Å²	82.3	87%	0.872	41%	0.41	S	S	*	.			trans	77.4	55.4	168.9	-78.4	-13.9	0	0	0	120.6	Q128	Q128-N130 PolarHBondContact O-N 3.42Å
131	K	62.7	Low	76	Confident	55 Å²	55	78.5 Å²	78.5	24%	0.239	39%	0.392	C	S	.	.			trans	-135.9	93.9	157.2	-68.6	-172.9	-178.3	-175.2	0	113	G51 N56 N133 L134	G51-K131 PolarHBondContact O-NZ 3.01Å; N56-K131 VanDerWaalsContact ND2-CD 3.25Å; N56-K131 WeakPolarHBondContact ND2-CD 3.09Å; N56-K131 PolarHBondContact ND2-NZ 3.43Å; K131-N133 PolarHBondContact O-N 3.47Å; K131-N133 VanDerWaalsContact O-N 3.11Å; K131-L134 HydrophobicContact CB-CB 4.44Å; K131-L134 HydrophobicContact CB-CD1 3.8Å; K131-L134 HydrophobicContact CB-CG 3.77Å; K131-L134 HydrophobicContact CD-CD1 4.39Å; K131-L134 WeakPolarHBondContact O-CB 3.34Å; K131-L134 PolarHBondContact O-N 2.96Å
132	K	65.4	Low	75.7	Confident	186 Å²	186	74.1 Å²	74.1	81%	0.809	37%	0.374	S	S	*	.	H	α-helix	trans	-46.2	-37.3	170.7	-173.5	177.4	178.3	179.6	0	112.3	L134 N135 E136	K132-L134 VanDerWaalsContact C-N 3.28Å; K132-L134 PolarHBondContact O-N 3.35Å; K132-N135 PolarHBondContact O-N 3.2Å; K132-E136 PolarHBondContact O-N 2.91Å
133	N	65.6	Low	75.7	Confident	60 Å²	60	74.8 Å²	74.8	32%	0.321	38%	0.375	S	S	.	.	H	α-helix	trans	-62.8	-28.1	178.6	-62.4	-0.9	0	0	0	113.7	K131 L137	K131-N133 PolarHBondContact O-N 3.47Å; K131-N133 VanDerWaalsContact O-N 3.11Å; N133-L137 VanDerWaalsContact O-CB 3.27Å; N133-L137 WeakPolarHBondContact O-CB 3.27Å; N133-L137 PolarHBondContact O-N 2.9Å
134	L	71.3	Confident	75.7	Confident	13 Å²	13	79 Å²	79	7%	0.068	39%	0.39	C	S	.	.	H	α-helix	trans	-73	-35.8	179.8	-67.6	176.9	0	0	0	112	N56 Y59 V60 K131 K132 S138	N56-L134 HydrophobicContact CB-CD2 4.46Å; Y59-L134 HydrophobicContact CD1-CD1 4.28Å; Y59-L134 HydrophobicContact CE1-CB 4.36Å; V60-L134 HydrophobicContact CG2-CD2 3.78Å; K131-L134 HydrophobicContact CB-CB 4.44Å; K131-L134 HydrophobicContact CB-CD1 3.8Å; K131-L134 HydrophobicContact CB-CG 3.77Å; K131-L134 HydrophobicContact CD-CD1 4.39Å; K131-L134 WeakPolarHBondContact O-CB 3.34Å; K131-L134 PolarHBondContact O-N 2.96Å; K132-L134 VanDerWaalsContact C-N 3.28Å; K132-L134 PolarHBondContact O-N 3.35Å; L134-S138 WeakPolarHBondContact O-CB 3.48Å; L134-S138 PolarHBondContact O-N 3Å
135	N	73.3	Confident	75.7	Confident	76 Å²	76	77.1 Å²	77.1	41%	0.406	38%	0.38	S	S	.	.	H	α-helix	trans	-68.8	-43	174.2	-74.2	-7.2	0	0	0	110.5	K127 K132 S138 N139	K127-N135 PolarHBondContact NZ-OD1 2.78Å; K132-N135 PolarHBondContact O-N 3.2Å; N135-S138 PolarHBondContact O-N 3.47Å; N135-N139 WeakPolarHBondContact O-CB 3.31Å; N135-N139 VanDerWaalsContact O-CG 3.27Å; N135-N139 PolarHBondContact O-N 3.03Å; N135-N139 PolarHBondContact O-OD1 2.8Å
136	E	78.4	Confident	75.7	Confident	65 Å²	65	71 Å²	71	30%	0.304	35%	0.352	S	S	.	.	H	α-helix	trans	-61.8	-46.9	176.3	-170	-178.1	170.4	0	0	111	R37 I41 K132 S138 N139 W140	R37-E136 IonicContact CZ-OE1 2.88Å; R37-E136 IonicContact NE-OE1 3.17Å; R37-E136 IonicContact NH2-OE1 3.53Å; R37-E136 PolarHBondContact NH2-OE1 3.35Å; I41-E136 HydrophobicContact CD1-CG 3.87Å; K132-E136 PolarHBondContact O-N 2.91Å; E136-S138 PolarHBondContact O-N 3.06Å; E136-N139 PolarHBondContact O-N 3.36Å; E136-W140 PolarHBondContact O-N 2.67Å; E136-W140 PolarHBondContact OE1-NE1 3.44Å
137	L	77.6	Confident	76.1	Confident	19 Å²	19	70.1 Å²	70.1	10%	0.099	34%	0.344	C	S	.	.	H	α-helix	trans	-58.7	-49.9	175.6	-178.4	61	0	0	0	111.3	I38 I41 V60 N133 N139 W140 M141	I38-L137 HydrophobicContact CB-CD1 4.42Å; I38-L137 HydrophobicContact CG1-CD1 4.4Å; I38-L137 HydrophobicContact CG2-CD1 3.93Å; I41-L137 HydrophobicContact CG2-CB 4.14Å; I41-L137 HydrophobicContact CG2-CD1 4.3Å; V60-L137 HydrophobicContact CG1-CD2 4.04Å; V60-L137 HydrophobicContact CG2-CD2 4.01Å; N133-L137 VanDerWaalsContact O-CB 3.27Å; N133-L137 WeakPolarHBondContact O-CB 3.27Å; N133-L137 PolarHBondContact O-N 2.9Å; L137-N139 VanDerWaalsContact C-N 3.28Å; L137-N139 PolarHBondContact O-N 3.02Å; L137-W140 PolarHBondContact O-N 3.31Å; L137-M141 HydrophobicContact CD1-CG 4.09Å; L137-M141 HydrophobicContact CD1-SD 4.14Å; L137-M141 HydrophobicContact CG-CG 4.35Å; L137-M141 HydrophobicContact CG-SD 4.11Å; L137-M141 WeakPolarHBondContact O-CB 3.39Å; L137-M141 VanDerWaalsContact O-CG 3.22Å; L137-M141 WeakPolarHBondContact O-CG 3.47Å; L137-M141 PolarHBondContact O-N 3Å
138	S	77.5	Confident	76.6	Confident	17 Å²	17	67.4 Å²	67.4	12%	0.119	33%	0.334	C	S	.	.	H	α-helix	trans	-53	-46.4	176.9	-178.2	0	0	0	0	111.7	L63 L134 N135 E136 M141 H142	L63-S138 WeakPolarHBondContact CD1-OG 3.44Å; L134-S138 WeakPolarHBondContact O-CB 3.48Å; L134-S138 PolarHBondContact O-N 3Å; N135-S138 PolarHBondContact O-N 3.47Å; E136-S138 PolarHBondContact O-N 3.06Å; S138-M141 PolarHBondContact O-N 3.19Å; S138-H142 VanDerWaalsContact O-CB 3.31Å; S138-H142 WeakPolarHBondContact O-CB 3.4Å; S138-H142 PolarHBondContact O-N 2.9Å
139	N	82.7	Confident	77.3	Confident	101 Å²	101	64 Å²	64	54%	0.54	32%	0.318	S	S	.	.	H	α-helix	trans	-65.2	-44.6	-179.7	-72.5	-1.5	0	0	0	112	N135 E136 L137 M141 H142 M143	N135-N139 WeakPolarHBondContact O-CB 3.31Å; N135-N139 VanDerWaalsContact O-CG 3.27Å; N135-N139 PolarHBondContact O-N 3.03Å; N135-N139 PolarHBondContact O-OD1 2.8Å; E136-N139 PolarHBondContact O-N 3.36Å; L137-N139 VanDerWaalsContact C-N 3.28Å; L137-N139 PolarHBondContact O-N 3.02Å; N139-M141 VanDerWaalsContact C-N 3.31Å; N139-M141 PolarHBondContact O-N 3.27Å; N139-H142 WeakPolarHBondContact O-CB 3.03Å; N139-H142 PolarHBondContact O-N 3.08Å; N139-M143 WeakPolarHBondContact O-CG 3.2Å; N139-M143 PolarHBondContact O-N 3.36Å
140	W	84.9	Confident	78.8	Confident	75 Å²	75	64.5 Å²	64.5	28%	0.284	30%	0.303	S	S	.	.	H	α-helix	trans	-65.9	-36.7	177.6	-71.2	117.1	0	0	0	112.5	Y34 R37 I38 I41 E136 L137 R144	Y34-W140 AromaticContact CD1-CE3 3.56Å; Y34-W140 HydrophobicContact CD1-CE3 3.56Å; Y34-W140 AromaticContact CD1-CZ3 3.51Å; Y34-W140 HydrophobicContact CD1-CZ3 3.51Å; Y34-W140 AromaticContact CE1-CE3 3.85Å; Y34-W140 HydrophobicContact CE1-CE3 3.85Å; Y34-W140 HydrophobicContact CE1-CH2 4.49Å; Y34-W140 AromaticContact CE1-CZ3 3.37Å; Y34-W140 HydrophobicContact CE1-CZ3 3.37Å; Y34-W140 HydrophobicContact CG-CE3 4.18Å; R37-W140 HydrophobicContact CB-CD2 4.33Å; R37-W140 HydrophobicContact CB-CG 4.48Å; R37-W140 HydrophobicContact CG-CD2 3.69Å; R37-W140 HydrophobicContact CG-CE3 4.37Å; R37-W140 HydrophobicContact CG-CG 3.84Å; R37-W140 HydrophobicContact CG-CZ2 4.04Å; I38-W140 HydrophobicContact CG1-CB 3.83Å; I41-W140 HydrophobicContact CD1-CG 4.39Å; E136-W140 PolarHBondContact O-N 2.67Å; E136-W140 PolarHBondContact OE1-NE1 3.44Å; L137-W140 PolarHBondContact O-N 3.31Å; W140-R144 VanDerWaalsContact O-CB 3.3Å; W140-R144 WeakPolarHBondContact O-CB 3.22Å; W140-R144 PolarHBondContact O-N 3.01Å
141	M	82.3	Confident	80.5	Confident	32 Å²	32	59.2 Å²	59.2	16%	0.158	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-41.2	174.6	-66.1	-165.1	86.8	0	0	111.7	I38 V60 I64 M67 L137 S138 N139 R144 H145	I38-M141 HydrophobicContact CD1-CB 4.44Å; I38-M141 HydrophobicContact CD1-CG 3.82Å; I38-M141 HydrophobicContact CG1-CG 3.93Å; I38-M141 HydrophobicContact CG2-CG 4.4Å; V60-M141 HydrophobicContact CG1-SD 3.79Å; I64-M141 HydrophobicContact CD1-CE 3.21Å; I64-M141 HydrophobicContact CD1-SD 3.73Å; I64-M141 HydrophobicContact CG1-CE 3.4Å; I64-M141 HydrophobicContact CG1-SD 3.75Å; M67-M141 HydrophobicContact CE-CB 4.07Å; L137-M141 HydrophobicContact CD1-CG 4.09Å; L137-M141 HydrophobicContact CD1-SD 4.14Å; L137-M141 HydrophobicContact CG-CG 4.35Å; L137-M141 HydrophobicContact CG-SD 4.11Å; L137-M141 WeakPolarHBondContact O-CB 3.39Å; L137-M141 VanDerWaalsContact O-CG 3.22Å; L137-M141 WeakPolarHBondContact O-CG 3.47Å; L137-M141 PolarHBondContact O-N 3Å; S138-M141 PolarHBondContact O-N 3.19Å; N139-M141 VanDerWaalsContact C-N 3.31Å; N139-M141 PolarHBondContact O-N 3.27Å; M141-R144 PolarHBondContact O-N 3.22Å; M141-H145 PolarHBondContact O-N 3.28Å
142	H	83.2	Confident	81.6	Confident	67 Å²	67	59.5 Å²	59.5	31%	0.31	28%	0.277	S	S	.	.	H	α-helix	trans	-58.6	-54.7	174.2	179.8	76.5	0	0	0	111.4	M67 Y71 S138 N139 R144 H145 V146	M67-H142 HydrophobicContact CE-CB 4.49Å; M67-H142 VanDerWaalsContact SD-CA 3.55Å; M67-H142 HydrophobicContact SD-CB 3.48Å; M67-H142 WeakPolarHBondContact SD-CB 3.32Å; Y71-H142 AromaticContact CE2-CE1 3.81Å; Y71-H142 AromaticContact CE2-ND1 3.78Å; Y71-H142 AromaticContact CZ-CE1 3.73Å; Y71-H142 PolarHBondContact OH-CE1 3.46Å; Y71-H142 PolarHBondContact OH-NE2 3.28Å; S138-H142 VanDerWaalsContact O-CB 3.31Å; S138-H142 WeakPolarHBondContact O-CB 3.4Å; S138-H142 PolarHBondContact O-N 2.9Å; N139-H142 WeakPolarHBondContact O-CB 3.03Å; N139-H142 PolarHBondContact O-N 3.08Å; H142-R144 VanDerWaalsContact C-N 3.31Å; H142-R144 PolarHBondContact O-N 3.45Å; H142-H145 WeakPolarHBondContact O-CA 3.48Å; H142-H145 WeakPolarHBondContact O-CB 3.48Å; H142-H145 PolarHBondContact O-N 3.42Å; H142-V146 PolarHBondContact O-N 3.5Å
143	M	88	Confident	82.7	Confident	65 Å²	65	54.1 Å²	54.1	32%	0.32	25%	0.252	S	S	.	.	H	α-helix	trans	-60.8	-40.7	179.3	-66.1	-55.3	-58.6	0	0	111.6	Y34 N139 H145 V146 Y147	Y34-M143 HydrophobicContact CD2-CB 3.85Å; Y34-M143 HydrophobicContact CE2-CB 3.44Å; Y34-M143 VanDerWaalsContact CE2-CB 3.44Å; N139-M143 WeakPolarHBondContact O-CG 3.2Å; N139-M143 PolarHBondContact O-N 3.36Å; M143-H145 VanDerWaalsContact C-N 3.26Å; M143-H145 PolarHBondContact O-N 2.89Å; M143-V146 PolarHBondContact O-N 3.44Å; M143-Y147 HydrophobicContact CE-CD2 4.47Å; M143-Y147 HydrophobicContact CE-CE2 3.86Å; M143-Y147 WeakPolarHBondContact O-CD2 3.44Å; M143-Y147 PolarHBondContact O-N 3.48Å
144	R	86.6	Confident	83.9	Confident	87 Å²	87	52 Å²	52	33%	0.328	24%	0.241	S	C	.	.	H	α-helix	trans	-57	-41.1	172.4	-175.6	175.8	172.6	-105.5	-0.8	112.3	I31 Y34 S35 I38 W140 M141 H142 I148	I31-R144 HydrophobicContact CG2-CG 4.41Å; Y34-R144 HydrophobicContact CD2-CB 4.28Å; S35-R144 WeakPolarHBondContact OG-CD 3.49Å; S35-R144 PolarHBondContact OG-NE 2.95Å; I38-R144 HydrophobicContact CD1-CB 4.01Å; I38-R144 VanDerWaalsContact CD1-CD 3.44Å; I38-R144 HydrophobicContact CD1-CG 4.38Å; W140-R144 VanDerWaalsContact O-CB 3.3Å; W140-R144 WeakPolarHBondContact O-CB 3.22Å; W140-R144 PolarHBondContact O-N 3.01Å; M141-R144 PolarHBondContact O-N 3.22Å; H142-R144 VanDerWaalsContact C-N 3.31Å; H142-R144 PolarHBondContact O-N 3.45Å; R144-I148 HydrophobicContact CG-CD1 4.07Å; R144-I148 VanDerWaalsContact O-CG1 3.29Å; R144-I148 WeakPolarHBondContact O-CG1 3.13Å; R144-I148 PolarHBondContact O-N 2.92Å; R144-I148 VanDerWaalsContact O-N 3.12Å
145	H	83.5	Confident	84.9	Confident	28 Å²	28	53.7 Å²	53.7	13%	0.13	25%	0.249	C	C	.	.	H	α-helix	trans	-68.8	-44.7	-179.8	-143.1	79.6	0	0	0	112.3	H68 Y71 M141 H142 M143 Y147 I148 N149	H68-H145 WeakPolarHBondContact CA-NE2 3.32Å; H68-H145 AromaticContact ND1-CE1 3.42Å; H68-H145 PolarHBondContact ND1-CE1 2.89Å; H68-H145 AromaticContact ND1-NE2 3.51Å; Y71-H145 HydrophobicContact CD2-CB 4.09Å; Y71-H145 AromaticContact CD2-CD2 3.53Å; Y71-H145 HydrophobicContact CE2-CB 4.35Å; Y71-H145 AromaticContact CG-CD2 3.8Å; M141-H145 PolarHBondContact O-N 3.28Å; H142-H145 WeakPolarHBondContact O-CA 3.48Å; H142-H145 WeakPolarHBondContact O-CB 3.48Å; H142-H145 PolarHBondContact O-N 3.42Å; M143-H145 VanDerWaalsContact C-N 3.26Å; M143-H145 PolarHBondContact O-N 2.89Å; H145-Y147 VanDerWaalsContact C-N 3.28Å; H145-Y147 PolarHBondContact O-N 3.31Å; H145-I148 WeakPolarHBondContact O-CB 3.3Å; H145-I148 PolarHBondContact O-N 3.38Å; H145-N149 PolarHBondContact O-N 3.38Å; H145-N149 PolarHBondContact O-ND2 3.45Å; H145-N149 VanDerWaalsContact O-ND2 3.09Å
146	V	86.4	Confident	85.6	Confident	15 Å²	15	51.8 Å²	51.8	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-48.6	-52.2	173.9	171.1	0	0	0	0	111	Y71 H142 M143 I148 N149 Y150	Y71-V146 HydrophobicContact CE1-CG2 3.79Å; Y71-V146 HydrophobicContact CE2-CG2 4.07Å; Y71-V146 WeakPolarHBondContact OH-CG2 3.34Å; H142-V146 PolarHBondContact O-N 3.5Å; M143-V146 PolarHBondContact O-N 3.44Å; V146-I148 VanDerWaalsContact C-N 3.33Å; V146-I148 PolarHBondContact O-N 3.41Å; V146-N149 WeakPolarHBondContact O-CB 3.34Å; V146-N149 PolarHBondContact O-N 3.27Å; V146-N149 VanDerWaalsContact O-N 3.08Å; V146-Y150 HydrophobicContact CG1-CD2 3.9Å; V146-Y150 HydrophobicContact CG1-CE2 3.37Å; V146-Y150 PolarHBondContact O-N 3.49Å
147	Y	89.6	Confident	85.9	Confident	53 Å²	53	49.8 Å²	49.8	21%	0.208	23%	0.23	C	C	.	.	H	α-helix	trans	-72	-26.1	-177.2	-80.4	-85.5	0	0	0	113.4	H27 I30 Y34 M143 H145 N149 Y150 F151	H27-Y147 AromaticContact CD2-CD1 3.55Å; H27-Y147 AromaticContact CD2-CE1 3.89Å; I30-Y147 HydrophobicContact CB-CD1 4.04Å; I30-Y147 HydrophobicContact CB-CE1 4.25Å; I30-Y147 HydrophobicContact CB-CG 4.27Å; I30-Y147 HydrophobicContact CD1-CD1 3.87Å; I30-Y147 HydrophobicContact CD1-CE1 3.3Å; I30-Y147 HydrophobicContact CG1-CE1 4.35Å; I30-Y147 HydrophobicContact CG2-CD1 3.71Å; I30-Y147 HydrophobicContact CG2-CD2 3.61Å; I30-Y147 HydrophobicContact CG2-CE1 3.86Å; I30-Y147 HydrophobicContact CG2-CE2 3.72Å; I30-Y147 HydrophobicContact CG2-CG 3.57Å; Y34-Y147 HydrophobicContact CD2-CD2 4.36Å; Y34-Y147 AromaticContact CE2-CD2 3.56Å; Y34-Y147 HydrophobicContact CE2-CD2 3.56Å; Y34-Y147 AromaticContact CE2-CE2 3.79Å; Y34-Y147 HydrophobicContact CE2-CE2 3.79Å; Y34-Y147 HydrophobicContact CE2-CG 4.46Å; M143-Y147 HydrophobicContact CE-CD2 4.47Å; M143-Y147 HydrophobicContact CE-CE2 3.86Å; M143-Y147 WeakPolarHBondContact O-CD2 3.44Å; M143-Y147 PolarHBondContact O-N 3.48Å; H145-Y147 VanDerWaalsContact C-N 3.28Å; H145-Y147 PolarHBondContact O-N 3.31Å; Y147-N149 VanDerWaalsContact C-N 3.31Å; Y147-Y150 HydrophobicContact CD1-CD2 4.19Å; Y147-Y150 HydrophobicContact CE1-CD2 4.4Å; Y147-F151 VanDerWaalsContact O-CB 3.28Å; Y147-F151 WeakPolarHBondContact O-CB 3.14Å; Y147-F151 PolarHBondContact O-N 3.09Å
148	I	86	Confident	86.5	Confident	41 Å²	41	52.7 Å²	52.7	21%	0.21	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-38.8	168.6	-72.9	166.6	0	0	0	110.4	I31 R144 H145 V146 F151 N152	I31-I148 HydrophobicContact CD1-CG1 3.89Å; I31-I148 HydrophobicContact CG1-CG1 4.03Å; I31-I148 HydrophobicContact CG2-CG1 4.14Å; R144-I148 HydrophobicContact CG-CD1 4.07Å; R144-I148 VanDerWaalsContact O-CG1 3.29Å; R144-I148 WeakPolarHBondContact O-CG1 3.13Å; R144-I148 PolarHBondContact O-N 2.92Å; R144-I148 VanDerWaalsContact O-N 3.12Å; H145-I148 WeakPolarHBondContact O-CB 3.3Å; H145-I148 PolarHBondContact O-N 3.38Å; V146-I148 VanDerWaalsContact C-N 3.33Å; V146-I148 PolarHBondContact O-N 3.41Å; I148-F151 WeakPolarHBondContact O-CB 3.37Å; I148-F151 PolarHBondContact O-N 3.24Å; I148-N152 WeakPolarHBondContact O-CB 3.37Å; I148-N152 VanDerWaalsContact O-CG 3.23Å; I148-N152 PolarHBondContact O-N 3.15Å; I148-N152 PolarHBondContact O-ND2 2.73Å
149	N	84.5	Confident	87	Confident	11 Å²	11	59.5 Å²	59.5	6%	0.059	26%	0.263	C	S	.	.	H	α-helix	trans	-70.9	-43.3	177.9	-56.1	-43.9	0	0	0	112.1	Y71 H145 V146 Y147 F151 N152 Y153	Y71-N149 WeakPolarHBondContact CB-ND2 3.21Å; Y71-N149 WeakPolarHBondContact CD1-ND2 3.42Å; H145-N149 PolarHBondContact O-N 3.38Å; H145-N149 PolarHBondContact O-ND2 3.45Å; H145-N149 VanDerWaalsContact O-ND2 3.09Å; V146-N149 WeakPolarHBondContact O-CB 3.34Å; V146-N149 PolarHBondContact O-N 3.27Å; V146-N149 VanDerWaalsContact O-N 3.08Å; Y147-N149 VanDerWaalsContact C-N 3.31Å; N149-F151 PolarHBondContact O-N 2.91Å; N149-N152 PolarHBondContact O-N 3.43Å; N149-N152 VanDerWaalsContact O-N 3.08Å; N149-Y153 WeakPolarHBondContact O-CB 3.42Å; N149-Y153 PolarHBondContact O-N 2.95Å
150	Y	89.5	Confident	87	Confident	125 Å²	125	56.3 Å²	56.3	49%	0.49	25%	0.247	S	C	.	.	H	α-helix	trans	-59.3	-40.3	173.5	-63.3	-29.2	0	0	0	111.4	H27 V146 Y147 Y153 D154	H27-Y150 VanDerWaalsContact CE1-CB 3.42Å; H27-Y150 WeakPolarHBondContact CE1-CB 3.49Å; V146-Y150 HydrophobicContact CG1-CD2 3.9Å; V146-Y150 HydrophobicContact CG1-CE2 3.37Å; V146-Y150 PolarHBondContact O-N 3.49Å; Y147-Y150 HydrophobicContact CD1-CD2 4.19Å; Y147-Y150 HydrophobicContact CE1-CD2 4.4Å; Y150-Y153 PolarHBondContact O-N 3.22Å; Y150-D154 WeakPolarHBondContact O-CB 3.21Å; Y150-D154 PolarHBondContact O-N 3.34Å
151	F	91.8	Very high	86.9	Confident	53 Å²	53	53.5 Å²	53.5	23%	0.232	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-45.8	171.7	179.5	-88.1	0	0	0	112.3	L24 H27 T28 I31 Y147 I148 N149 D154 L155	L24-F151 HydrophobicContact CB-CE2 4.44Å; L24-F151 HydrophobicContact CD2-CD2 3.6Å; L24-F151 HydrophobicContact CD2-CE2 3.6Å; L24-F151 HydrophobicContact CD2-CG 4.14Å; L24-F151 HydrophobicContact CD2-CZ 4.13Å; L24-F151 WeakPolarHBondContact CD2-O 3.48Å; H27-F151 HydrophobicContact CB-CB 4.03Å; H27-F151 HydrophobicContact CB-CD2 4.23Å; T28-F151 WeakPolarHBondContact OG1-CE2 3.33Å; I31-F151 HydrophobicContact CD1-CB 3.89Å; I31-F151 HydrophobicContact CD1-CG 4.29Å; Y147-F151 VanDerWaalsContact O-CB 3.28Å; Y147-F151 WeakPolarHBondContact O-CB 3.14Å; Y147-F151 PolarHBondContact O-N 3.09Å; I148-F151 WeakPolarHBondContact O-CB 3.37Å; I148-F151 PolarHBondContact O-N 3.24Å; N149-F151 PolarHBondContact O-N 2.91Å; F151-D154 PolarHBondContact O-N 2.98Å; F151-L155 HydrophobicContact CE1-CB 4.47Å; F151-L155 HydrophobicContact CE1-CD2 4Å; F151-L155 WeakPolarHBondContact O-CB 3.36Å; F151-L155 PolarHBondContact O-N 2.95Å
152	N	86.7	Confident	87.2	Confident	60 Å²	60	53 Å²	53	32%	0.321	24%	0.238	S	C	.	.	H	α-helix	trans	-66.2	-40.5	-180	-73	-24	0	0	0	112.3	L75 I148 N149 L155 F156	L75-N152 HydrophobicContact CD2-CB 3.87Å; I148-N152 WeakPolarHBondContact O-CB 3.37Å; I148-N152 VanDerWaalsContact O-CG 3.23Å; I148-N152 PolarHBondContact O-N 3.15Å; I148-N152 PolarHBondContact O-ND2 2.73Å; N149-N152 PolarHBondContact O-N 3.43Å; N149-N152 VanDerWaalsContact O-N 3.08Å; N152-L155 PolarHBondContact O-N 3.47Å; N152-F156 PolarHBondContact O-N 3.23Å
153	Y	88.3	Confident	87.1	Confident	74 Å²	74	55.2 Å²	55.2	29%	0.29	25%	0.248	S	C	.	.	H	α-helix	trans	-59	-54.2	173.4	174.5	-88.9	0	0	0	110.4	E78 V82 N149 Y150 L155 F156 T157	E78-Y153 HydrophobicContact CG-CD2 3.79Å; E78-Y153 HydrophobicContact CG-CE2 3.61Å; V82-Y153 HydrophobicContact CG2-CD2 4.26Å; V82-Y153 HydrophobicContact CG2-CE2 3.35Å; N149-Y153 WeakPolarHBondContact O-CB 3.42Å; N149-Y153 PolarHBondContact O-N 2.95Å; Y150-Y153 PolarHBondContact O-N 3.22Å; Y153-L155 VanDerWaalsContact C-N 3.26Å; Y153-L155 PolarHBondContact O-N 3.46Å; Y153-F156 WeakPolarHBondContact O-CB 3.25Å; Y153-F156 PolarHBondContact O-N 3.18Å; Y153-F156 VanDerWaalsContact O-N 3.13Å; Y153-T157 PolarHBondContact O-N 3.07Å; Y153-T157 PolarHBondContact O-OG1 3.44Å; Y153-T157 VanDerWaalsContact O-OG1 3.09Å
154	D	90.2	Very high	86.7	Confident	16 Å²	16	54.3 Å²	54.3	9%	0.086	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-36.8	178.5	-75.3	-13.5	0	0	0	111.9	V20 S23 L24 H27 Y150 F151 F156 T157 Y158	V20-D154 HydrophobicContact CG1-CB 3.86Å; V20-D154 WeakPolarHBondContact CG1-O 3.36Å; S23-D154 WeakPolarHBondContact CB-OD2 3.48Å; S23-D154 PolarHBondContact OG-OD2 3.47Å; L24-D154 HydrophobicContact CD2-CB 3.66Å; L24-D154 HydrophobicContact CG-CB 3.83Å; H27-D154 IonicContact CE1-OD2 3.65Å; H27-D154 PolarHBondContact CE1-OD2 3.25Å; H27-D154 IonicContact ND1-OD2 3.64Å; H27-D154 PolarHBondContact ND1-OD2 3.25Å; Y150-D154 WeakPolarHBondContact O-CB 3.21Å; Y150-D154 PolarHBondContact O-N 3.34Å; F151-D154 PolarHBondContact O-N 2.98Å; D154-F156 VanDerWaalsContact C-N 3.33Å; D154-F156 PolarHBondContact O-N 2.98Å; D154-T157 PolarHBondContact O-N 2.94Å; D154-Y158 WeakPolarHBondContact O-CB 3.44Å; D154-Y158 PolarHBondContact O-N 3.49Å
155	L	91.3	Very high	86.5	Confident	48 Å²	48	54.2 Å²	54.2	25%	0.251	24%	0.244	S	C	.	.	H	α-helix	trans	-66.1	-39.5	178.6	-179.4	63	0	0	0	110.8	L24 F151 N152 Y153 R159	L24-L155 HydrophobicContact CD2-CB 4.02Å; F151-L155 HydrophobicContact CE1-CB 4.47Å; F151-L155 HydrophobicContact CE1-CD2 4Å; F151-L155 WeakPolarHBondContact O-CB 3.36Å; F151-L155 PolarHBondContact O-N 2.95Å; N152-L155 PolarHBondContact O-N 3.47Å; Y153-L155 VanDerWaalsContact C-N 3.26Å; Y153-L155 PolarHBondContact O-N 3.46Å; L155-R159 VanDerWaalsContact O-CG 3.29Å; L155-R159 WeakPolarHBondContact O-CG 3.48Å; L155-R159 PolarHBondContact O-N 3.3Å; L155-R159 VanDerWaalsContact O-N 3.12Å
156	F	87.8	Confident	86.4	Confident	36 Å²	36	58.3 Å²	58.3	16%	0.158	26%	0.262	C	S	.	.	H	α-helix	trans	-66.1	-49.9	174.2	-179	-103	0	0	0	111	L79 V82 V83 L100 F104 N152 Y153 D154 Y158 R159 V160	L79-F156 HydrophobicContact CD2-CB 3.72Å; L79-F156 HydrophobicContact CD2-CD1 3.36Å; L79-F156 HydrophobicContact CD2-CD2 4.25Å; L79-F156 HydrophobicContact CD2-CE1 3.98Å; L79-F156 HydrophobicContact CD2-CG 3.51Å; V82-F156 HydrophobicContact CB-CE1 4.29Å; V82-F156 HydrophobicContact CG1-CD1 3.98Å; V82-F156 HydrophobicContact CG1-CE1 3.69Å; V83-F156 HydrophobicContact CG2-CE1 4.28Å; V83-F156 HydrophobicContact CG2-CZ 4.01Å; L100-F156 HydrophobicContact CD2-CE2 4.11Å; L100-F156 HydrophobicContact CD2-CZ 4.23Å; F104-F156 HydrophobicContact CE2-CE2 4.46Å; F104-F156 HydrophobicContact CE2-CZ 4.26Å; F104-F156 HydrophobicContact CZ-CE2 4.2Å; F104-F156 HydrophobicContact CZ-CZ 4.45Å; N152-F156 PolarHBondContact O-N 3.23Å; Y153-F156 WeakPolarHBondContact O-CB 3.25Å; Y153-F156 PolarHBondContact O-N 3.18Å; Y153-F156 VanDerWaalsContact O-N 3.13Å; D154-F156 VanDerWaalsContact C-N 3.33Å; D154-F156 PolarHBondContact O-N 2.98Å; F156-Y158 VanDerWaalsContact C-N 3.32Å; F156-Y158 PolarHBondContact O-N 2.92Å; F156-R159 WeakPolarHBondContact O-CB 3.44Å; F156-R159 PolarHBondContact O-N 2.91Å; F156-V160 HydrophobicContact CD1-CG2 4.26Å; F156-V160 HydrophobicContact CE1-CG2 3.85Å; F156-V160 HydrophobicContact CE2-CG2 4.22Å; F156-V160 HydrophobicContact CZ-CG2 3.83Å; F156-V160 PolarHBondContact O-N 2.88Å
157	T	86.5	Confident	85.9	Confident	23 Å²	23	60.5 Å²	60.5	14%	0.141	28%	0.282	C	S	.	.	H	α-helix	trans	-55.3	-47.3	176.5	-59.7	0	0	0	0	111.3	V20 Y153 D154 R159 V160 L161	V20-T157 HydrophobicContact CG2-CG2 3.97Å; Y153-T157 PolarHBondContact O-N 3.07Å; Y153-T157 PolarHBondContact O-OG1 3.44Å; Y153-T157 VanDerWaalsContact O-OG1 3.09Å; D154-T157 PolarHBondContact O-N 2.94Å; T157-R159 VanDerWaalsContact C-N 3.31Å; T157-R159 PolarHBondContact O-N 3.3Å; T157-V160 PolarHBondContact O-N 3.32Å; T157-L161 HydrophobicContact CG2-CD1 3.88Å; T157-L161 HydrophobicContact CG2-CG 4.31Å; T157-L161 WeakPolarHBondContact O-CB 3.49Å; T157-L161 WeakPolarHBondContact O-CG 2.92Å; T157-L161 PolarHBondContact O-N 3.46Å
158	Y	89.4	Confident	85.1	Confident	80 Å²	80	60 Å²	60	31%	0.314	28%	0.284	S	S	.	.	H	α-helix	trans	-56	-44.2	175.4	177.2	-88.6	0	0	0	112	I17 K21 L24 D154 F156 S162	I17-Y158 HydrophobicContact CG2-CD2 4.18Å; I17-Y158 HydrophobicContact CG2-CE2 3.72Å; K21-Y158 HydrophobicContact CB-CE2 4.49Å; L24-Y158 HydrophobicContact CD1-CD2 4.37Å; L24-Y158 HydrophobicContact CD1-CG 4.24Å; D154-Y158 WeakPolarHBondContact O-CB 3.44Å; D154-Y158 PolarHBondContact O-N 3.49Å; F156-Y158 VanDerWaalsContact C-N 3.32Å; F156-Y158 PolarHBondContact O-N 2.92Å; Y158-S162 WeakPolarHBondContact CE1-OG 3.25Å; Y158-S162 VanDerWaalsContact O-CB 3.24Å; Y158-S162 WeakPolarHBondContact O-CB 3.27Å; Y158-S162 PolarHBondContact O-N 3.11Å; Y158-S162 PolarHBondContact O-OG 3.31Å
159	R	87.8	Confident	84.4	Confident	160 Å²	160	60.3 Å²	60.3	60%	0.604	29%	0.289	S	S	*	.	H	α-helix	trans	-64.2	-46.3	178.9	-76.5	173.6	180	-163.8	1.2	111.1	L155 F156 T157 S162 E163	L155-R159 VanDerWaalsContact O-CG 3.29Å; L155-R159 WeakPolarHBondContact O-CG 3.48Å; L155-R159 PolarHBondContact O-N 3.3Å; L155-R159 VanDerWaalsContact O-N 3.12Å; F156-R159 WeakPolarHBondContact O-CB 3.44Å; F156-R159 PolarHBondContact O-N 2.91Å; T157-R159 VanDerWaalsContact C-N 3.31Å; T157-R159 PolarHBondContact O-N 3.3Å; R159-S162 PolarHBondContact O-N 3.49Å; R159-E163 WeakPolarHBondContact O-CG 3.38Å; R159-E163 PolarHBondContact O-N 2.9Å
160	V	82.7	Confident	83.3	Confident	34 Å²	34	67 Å²	67	21%	0.206	34%	0.337	C	S	.	.	H	α-helix	trans	-63.9	-47.5	179.1	179.7	0	0	0	0	111.2	I86 F156 T157 S162 E163 L164	I86-V160 HydrophobicContact CD1-CB 4.16Å; I86-V160 HydrophobicContact CD1-CG1 3.44Å; I86-V160 VanDerWaalsContact CD1-CG1 3.44Å; I86-V160 HydrophobicContact CD1-CG2 4.47Å; F156-V160 HydrophobicContact CD1-CG2 4.26Å; F156-V160 HydrophobicContact CE1-CG2 3.85Å; F156-V160 HydrophobicContact CE2-CG2 4.22Å; F156-V160 HydrophobicContact CZ-CG2 3.83Å; F156-V160 PolarHBondContact O-N 2.88Å; T157-V160 PolarHBondContact O-N 3.32Å; V160-S162 VanDerWaalsContact C-N 3.29Å; V160-S162 PolarHBondContact O-N 3.38Å; V160-E163 PolarHBondContact O-N 3.09Å; V160-L164 HydrophobicContact CG1-CD1 4.06Å; V160-L164 HydrophobicContact CG1-CG 4.37Å; V160-L164 WeakPolarHBondContact O-CG 3.44Å; V160-L164 PolarHBondContact O-N 3.44Å
161	L	83.6	Confident	83	Confident	15 Å²	15	64.1 Å²	64.1	8%	0.079	33%	0.33	C	S	.	.	H	α-helix	trans	-59.6	-39.8	176.6	-70	173.6	0	0	0	112.1	I13 E16 I17 V20 T157 L164 Y165	I13-L161 HydrophobicContact CG2-CB 4.32Å; I13-L161 HydrophobicContact CG2-CD2 4.45Å; I13-L161 WeakPolarHBondContact CG2-O 3.44Å; E16-L161 HydrophobicContact CB-CD1 3.74Å; E16-L161 HydrophobicContact CB-CD2 4.43Å; E16-L161 WeakPolarHBondContact OE2-CD2 3.42Å; I17-L161 HydrophobicContact CD1-CB 4.2Å; I17-L161 HydrophobicContact CG1-CB 3.64Å; I17-L161 HydrophobicContact CG1-CD1 4.31Å; V20-L161 HydrophobicContact CG2-CD1 4.18Å; T157-L161 HydrophobicContact CG2-CD1 3.88Å; T157-L161 HydrophobicContact CG2-CG 4.31Å; T157-L161 WeakPolarHBondContact O-CB 3.49Å; T157-L161 WeakPolarHBondContact O-CG 2.92Å; T157-L161 PolarHBondContact O-N 3.46Å; L161-L164 PolarHBondContact O-N 3.07Å; L161-Y165 WeakPolarHBondContact O-CB 3.31Å; L161-Y165 PolarHBondContact O-N 2.85Å
162	S	87.4	Confident	82.5	Confident	23 Å²	23	64.7 Å²	64.7	16%	0.161	34%	0.335	C	S	.	.	H	α-helix	trans	-63.8	-39.9	177	-64.8	0	0	0	0	112.5	Y158 R159 V160 K166	Y158-S162 WeakPolarHBondContact CE1-OG 3.25Å; Y158-S162 VanDerWaalsContact O-CB 3.24Å; Y158-S162 WeakPolarHBondContact O-CB 3.27Å; Y158-S162 PolarHBondContact O-N 3.11Å; Y158-S162 PolarHBondContact O-OG 3.31Å; R159-S162 PolarHBondContact O-N 3.49Å; V160-S162 VanDerWaalsContact C-N 3.29Å; V160-S162 PolarHBondContact O-N 3.38Å; S162-K166 WeakPolarHBondContact O-CG 3.36Å; S162-K166 PolarHBondContact O-N 3.46Å
163	E	81.8	Confident	82.3	Confident	112 Å²	112	64.9 Å²	64.9	52%	0.523	34%	0.335	S	S	.	.	H	α-helix	trans	-69.2	-41.6	175.2	-67.8	-53.8	131.2	0	0	111.7	R159 V160 Y165 K166 A167	R159-E163 WeakPolarHBondContact O-CG 3.38Å; R159-E163 PolarHBondContact O-N 2.9Å; V160-E163 PolarHBondContact O-N 3.09Å; E163-Y165 VanDerWaalsContact C-N 3.33Å; E163-Y165 PolarHBondContact O-N 2.95Å; E163-K166 WeakPolarHBondContact O-CB 3.42Å; E163-K166 PolarHBondContact O-N 3.27Å; E163-K166 IonicContact OE1-NZ 2.91Å; E163-K166 PolarHBondContact OE1-NZ 3.42Å; E163-K166 IonicContact OE2-NZ 2.94Å; E163-A167 PolarHBondContact O-N 3.01Å; E163-A167 VanDerWaalsContact O-N 3.1Å
164	L	79.5	Confident	82	Confident	47 Å²	47	64.4 Å²	64.4	25%	0.246	34%	0.338	C	S	.	.	H	α-helix	trans	-61.1	-41.5	174	-71.9	173.3	0	0	0	111.8	I13 I86 L90 V160 L161 K166 A167 V168	I13-L164 HydrophobicContact CD1-CB 4.32Å; I86-L164 HydrophobicContact CG2-CD1 4.37Å; L90-L164 HydrophobicContact CD1-CD1 4.4Å; L90-L164 HydrophobicContact CD1-CD2 3.81Å; V160-L164 HydrophobicContact CG1-CD1 4.06Å; V160-L164 HydrophobicContact CG1-CG 4.37Å; V160-L164 WeakPolarHBondContact O-CG 3.44Å; V160-L164 PolarHBondContact O-N 3.44Å; L161-L164 PolarHBondContact O-N 3.07Å; L164-K166 VanDerWaalsContact C-N 3.3Å; L164-K166 PolarHBondContact O-N 2.95Å; L164-A167 PolarHBondContact O-N 3.35Å; L164-V168 WeakPolarHBondContact O-CG2 3.42Å; L164-V168 PolarHBondContact O-N 3.47Å
165	Y	83.5	Confident	81.4	Confident	84 Å²	84	67.4 Å²	67.4	33%	0.329	35%	0.354	S	S	.	.	H	α-helix	trans	-57.6	-43	176.8	-178	-103.8	0	0	0	112	K10 I13 I14 L161 E163 S169	K10-Y165 HydrophobicContact CB-CE2 4.29Å; K10-Y165 HydrophobicContact CG-CE2 4.44Å; I13-Y165 HydrophobicContact CB-CD2 4.46Å; I13-Y165 HydrophobicContact CG2-CD2 4.2Å; I13-Y165 HydrophobicContact CG2-CG 4.45Å; I14-Y165 HydrophobicContact CD1-CE2 3.62Å; I14-Y165 HydrophobicContact CG1-CD2 3.98Å; I14-Y165 HydrophobicContact CG1-CE2 3.48Å; I14-Y165 VanDerWaalsContact CG1-CE2 3.48Å; L161-Y165 WeakPolarHBondContact O-CB 3.31Å; L161-Y165 PolarHBondContact O-N 2.85Å; E163-Y165 VanDerWaalsContact C-N 3.33Å; E163-Y165 PolarHBondContact O-N 2.95Å; Y165-S169 WeakPolarHBondContact O-CB 3.4Å; Y165-S169 PolarHBondContact O-N 3.18Å; Y165-S169 PolarHBondContact O-OG 3.17Å
166	K	80.3	Confident	80.8	Confident	115 Å²	115	68.7 Å²	68.7	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-62.6	-46	176	-66.6	169.7	-171.5	169.5	0	111.1	S162 E163 L164 V168 S169 S170	S162-K166 WeakPolarHBondContact O-CG 3.36Å; S162-K166 PolarHBondContact O-N 3.46Å; E163-K166 WeakPolarHBondContact O-CB 3.42Å; E163-K166 PolarHBondContact O-N 3.27Å; E163-K166 IonicContact OE1-NZ 2.91Å; E163-K166 PolarHBondContact OE1-NZ 3.42Å; E163-K166 IonicContact OE2-NZ 2.94Å; L164-K166 VanDerWaalsContact C-N 3.3Å; L164-K166 PolarHBondContact O-N 2.95Å; K166-V168 PolarHBondContact O-N 3.07Å; K166-S169 PolarHBondContact O-N 3.38Å; K166-S169 VanDerWaalsContact O-N 3.16Å; K166-S170 PolarHBondContact O-N 2.82Å; K166-S170 VanDerWaalsContact O-N 3.13Å; K166-S170 PolarHBondContact O-OG 2.97Å
167	A	76.4	Confident	80.3	Confident	61 Å²	61	71.1 Å²	71.1	50%	0.504	38%	0.375	S	S	.	.	H	α-helix	trans	-62.1	-43.2	-179.8	0	0	0	0	0	112.6	E163 L164 S169 S170	E163-A167 PolarHBondContact O-N 3.01Å; E163-A167 VanDerWaalsContact O-N 3.1Å; L164-A167 PolarHBondContact O-N 3.35Å; A167-S169 VanDerWaalsContact C-N 3.26Å; A167-S169 PolarHBondContact O-N 2.86Å; A167-S170 PolarHBondContact O-N 3.16Å
168	V	73.1	Confident	79.8	Confident	43 Å²	43	74.8 Å²	74.8	26%	0.261	39%	0.393	S	S	.	.	H	α-helix	trans	-76.1	-18	178.5	-174	0	0	0	0	111.7	K9 K10 I13 L164 K166	K9-V168 HydrophobicContact CB-CG1 4.28Å; K10-V168 WeakPolarHBondContact CE-O 3.41Å; K10-V168 HydrophobicContact CG-CG1 3.93Å; I13-V168 HydrophobicContact CD1-CG2 4.08Å; L164-V168 WeakPolarHBondContact O-CG2 3.42Å; L164-V168 PolarHBondContact O-N 3.47Å; K166-V168 PolarHBondContact O-N 3.07Å
169	S	70.3	Confident	79	Confident	46 Å²	46	74.3 Å²	74.3	32%	0.322	40%	0.4	S	S	.	.	H	α-helix	trans	-86.9	-12.6	176.9	-61.9	0	0	0	0	115.5	K10 Y165 K166 A167	K10-S169 VanDerWaalsContact CE-CA 3.49Å; Y165-S169 WeakPolarHBondContact O-CB 3.4Å; Y165-S169 PolarHBondContact O-N 3.18Å; Y165-S169 PolarHBondContact O-OG 3.17Å; K166-S169 PolarHBondContact O-N 3.38Å; K166-S169 VanDerWaalsContact O-N 3.16Å; A167-S169 VanDerWaalsContact C-N 3.26Å; A167-S169 PolarHBondContact O-N 2.86Å
170	S	61.7	Low	78.2	Confident	152 Å²	152	66.5 Å²	66.5	100%	1.063	38%	0.381	S	S	*	.			trans	-75.1	0	172.2	-48.9	0	0	0	0	111.1	K166 A167	K166-S170 PolarHBondContact O-N 2.82Å; K166-S170 VanDerWaalsContact O-N 3.13Å; K166-S170 PolarHBondContact O-OG 2.97Å; A167-S170 PolarHBondContact O-N 3.16Å

Retrieved 170 of 170 residues in 58.6 ms (Link to these results)

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