A0A5K4FD84_SCHMA Loading...

t-SNARE coiled-coil homology domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FD84, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 304 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	47.1	Very low	50.1	Low	213 Å²	213	97 Å²	97	100%	1.049	54%	0.542	S	S	*	.				0	-28.5	0	-135.6	159.3	83.6	0	0	113.4
2	N	51.4	Low	50.9	Low	134 Å²	134	96.3 Å²	96.3	72%	0.717	54%	0.542	S	S	*	.	H	α-helix	trans	-73.9	-33.5	-179.4	-68.2	-7.1	0	0	0	115.3	L4 V5 V6	N2-L4 PolarHBondContact O-N 3.5Å; N2-V5 PolarHBondContact O-N 3.29Å; N2-V6 WeakPolarHBondContact O-CG2 3.29Å; N2-V6 PolarHBondContact O-N 3.38Å; N2-V6 VanDerWaalsContact O-N 3.17Å
3	V	43	Very low	51.7	Low	99 Å²	99	96.2 Å²	96.2	60%	0.6	53%	0.534	S	S	*	.	H	α-helix	trans	-61.5	-45.4	-177.7	179.3	0	0	0	0	111.8	V5 V6 T7	V3-V5 VanDerWaalsContact C-N 3.3Å; V3-V5 PolarHBondContact O-N 3.35Å; V3-V6 PolarHBondContact O-N 3.49Å; V3-T7 PolarHBondContact O-N 3.31Å; V3-T7 PolarHBondContact O-OG1 2.75Å
4	L	38.6	Very low	52.6	Low	130 Å²	130	93.9 Å²	93.9	68%	0.681	52%	0.521	S	S	*	.	H	α-helix	trans	-61.4	-41.3	-179	-135.1	101.7	0	0	0	111.3	N2 T7 V8	N2-L4 PolarHBondContact O-N 3.5Å; L4-T7 WeakPolarHBondContact CA-OG1 3.21Å; L4-T7 PolarHBondContact O-OG1 3.46Å; L4-V8 WeakPolarHBondContact O-CB 3.34Å; L4-V8 WeakPolarHBondContact O-CG2 3.24Å; L4-V8 PolarHBondContact O-N 2.84Å
5	V	50.9	Low	53.6	Low	78 Å²	78	94 Å²	94	47%	0.473	53%	0.525	S	S	.	.	H	α-helix	trans	-65.5	-44.7	-179.3	177.1	0	0	0	0	111	N2 V3 V8 Q9	N2-V5 PolarHBondContact O-N 3.29Å; V3-V5 VanDerWaalsContact C-N 3.3Å; V3-V5 PolarHBondContact O-N 3.35Å; V5-V8 PolarHBondContact O-N 3.16Å; V5-Q9 WeakPolarHBondContact O-CB 3.47Å; V5-Q9 WeakPolarHBondContact O-CG 3.23Å; V5-Q9 PolarHBondContact O-N 2.63Å
6	V	52	Low	55.3	Low	65 Å²	65	92.6 Å²	92.6	39%	0.394	52%	0.516	S	S	.	.	H	α-helix	trans	-67	-42.7	179.7	176.9	0	0	0	0	111.3	N2 V3 Q9 A10	N2-V6 WeakPolarHBondContact O-CG2 3.29Å; N2-V6 PolarHBondContact O-N 3.38Å; N2-V6 VanDerWaalsContact O-N 3.17Å; V3-V6 PolarHBondContact O-N 3.49Å; V6-Q9 PolarHBondContact O-N 3.4Å; V6-A10 WeakPolarHBondContact O-CB 3.19Å; V6-A10 PolarHBondContact O-N 2.85Å
7	T	50.4	Low	56.8	Low	82 Å²	82	87.9 Å²	87.9	50%	0.503	49%	0.489	S	S	.	.	H	α-helix	trans	-65.5	-39.1	177.1	48.1	0	0	0	0	112.5	V3 L4 S11	V3-T7 PolarHBondContact O-N 3.31Å; V3-T7 PolarHBondContact O-OG1 2.75Å; L4-T7 WeakPolarHBondContact CA-OG1 3.21Å; L4-T7 PolarHBondContact O-OG1 3.46Å; T7-S11 WeakPolarHBondContact O-CB 3.22Å; T7-S11 PolarHBondContact O-N 3.29Å; T7-S11 PolarHBondContact O-OG 3.22Å
8	V	50.6	Low	58.1	Low	76 Å²	76	86.8 Å²	86.8	46%	0.461	48%	0.483	S	S	.	.	H	α-helix	trans	-66.1	-47.4	176.3	170.6	0	0	0	0	109.9	L4 V5 A10 S11 V12	L4-V8 WeakPolarHBondContact O-CB 3.34Å; L4-V8 WeakPolarHBondContact O-CG2 3.24Å; L4-V8 PolarHBondContact O-N 2.84Å; V5-V8 PolarHBondContact O-N 3.16Å; V8-A10 PolarHBondContact O-N 3.42Å; V8-S11 WeakPolarHBondContact CA-OG 3.07Å; V8-S11 PolarHBondContact O-N 2.8Å; V8-S11 PolarHBondContact O-OG 3.43Å; V8-V12 HydrophobicContact CG1-CG2 4.26Å; V8-V12 VanDerWaalsContact O-CG2 3.27Å; V8-V12 WeakPolarHBondContact O-CG2 3.19Å; V8-V12 PolarHBondContact O-N 2.75Å
9	Q	56.4	Low	59.7	Low	113 Å²	113	86.1 Å²	86.1	53%	0.528	48%	0.484	S	S	.	.	H	α-helix	trans	-58.8	-44.5	177.4	-77.1	177.9	-31.7	0	0	112.8	V5 V6 V12 Q13	V5-Q9 WeakPolarHBondContact O-CB 3.47Å; V5-Q9 WeakPolarHBondContact O-CG 3.23Å; V5-Q9 PolarHBondContact O-N 2.63Å; V6-Q9 PolarHBondContact O-N 3.4Å; Q9-V12 PolarHBondContact O-N 2.94Å; Q9-Q13 WeakPolarHBondContact O-CB 3.17Å; Q9-Q13 WeakPolarHBondContact O-CG 3.33Å; Q9-Q13 PolarHBondContact O-N 3.41Å
10	A	55.8	Low	61.3	Low	16 Å²	16	83.1 Å²	83.1	13%	0.132	47%	0.465	C	S	.	.	H	α-helix	trans	-64.4	-39.8	176.7	0	0	0	0	0	112.4	V6 V8 Q13 N14	V6-A10 WeakPolarHBondContact O-CB 3.19Å; V6-A10 PolarHBondContact O-N 2.85Å; V8-A10 PolarHBondContact O-N 3.42Å; A10-Q13 PolarHBondContact O-N 2.8Å; A10-N14 WeakPolarHBondContact O-CB 3.29Å; A10-N14 PolarHBondContact O-N 3.43Å
11	S	55.3	Low	62.5	Low	61 Å²	61	82.4 Å²	82.4	43%	0.427	46%	0.459	S	S	.	.	H	α-helix	trans	-66.4	-39.6	176.8	71.9	0	0	0	0	112.6	T7 V8 N14 T15	T7-S11 WeakPolarHBondContact O-CB 3.22Å; T7-S11 PolarHBondContact O-N 3.29Å; T7-S11 PolarHBondContact O-OG 3.22Å; V8-S11 WeakPolarHBondContact CA-OG 3.07Å; V8-S11 PolarHBondContact O-N 2.8Å; V8-S11 PolarHBondContact O-OG 3.43Å; S11-N14 PolarHBondContact O-N 2.86Å; S11-T15 WeakPolarHBondContact O-CB 3.36Å; S11-T15 PolarHBondContact O-N 3.38Å; S11-T15 PolarHBondContact O-OG1 2.77Å
12	V	59.9	Low	64.6	Low	89 Å²	89	78.2 Å²	78.2	54%	0.539	43%	0.434	S	S	.	.	H	α-helix	trans	-64.8	-45.8	176.1	171.3	0	0	0	0	110.2	V8 Q9 N14 T15 D16	V8-V12 HydrophobicContact CG1-CG2 4.26Å; V8-V12 VanDerWaalsContact O-CG2 3.27Å; V8-V12 WeakPolarHBondContact O-CG2 3.19Å; V8-V12 PolarHBondContact O-N 2.75Å; Q9-V12 PolarHBondContact O-N 2.94Å; V12-N14 PolarHBondContact O-N 2.64Å; V12-T15 PolarHBondContact O-N 3.28Å; V12-D16 PolarHBondContact O-N 3.26Å
13	Q	61.2	Low	66.6	Low	94 Å²	94	73 Å²	73	44%	0.439	41%	0.409	S	S	.	.	H	α-helix	trans	-64.4	-39.8	178.4	-74.8	176.5	-21	0	0	112.8	Q9 A10 T15 D16 I17	Q9-Q13 WeakPolarHBondContact O-CB 3.17Å; Q9-Q13 WeakPolarHBondContact O-CG 3.33Å; Q9-Q13 PolarHBondContact O-N 3.41Å; A10-Q13 PolarHBondContact O-N 2.8Å; Q13-T15 VanDerWaalsContact C-N 3.32Å; Q13-T15 PolarHBondContact O-N 2.91Å; Q13-D16 PolarHBondContact O-N 2.91Å; Q13-I17 WeakPolarHBondContact O-CG1 3.38Å; Q13-I17 PolarHBondContact O-N 3.36Å; Q13-I17 VanDerWaalsContact O-N 3.1Å
14	N	63.3	Low	68.7	Low	65 Å²	65	68.4 Å²	68.4	35%	0.348	38%	0.381	S	S	.	.	H	α-helix	trans	-66.1	-35.5	174.9	-78	-12.7	0	0	0	112.3	A10 S11 V12 I17 D18	A10-N14 WeakPolarHBondContact O-CB 3.29Å; A10-N14 PolarHBondContact O-N 3.43Å; S11-N14 PolarHBondContact O-N 2.86Å; V12-N14 PolarHBondContact O-N 2.64Å; N14-I17 PolarHBondContact O-N 3.4Å; N14-D18 PolarHBondContact O-N 3.25Å; N14-D18 VanDerWaalsContact O-N 3.12Å
15	T	67.5	Low	71.1	Confident	95 Å²	95	66 Å²	66	58%	0.583	37%	0.368	S	S	*	.	H	α-helix	trans	-69.3	-38.7	177.5	-52.6	0	0	0	0	111.5	S11 V12 Q13 S19	S11-T15 WeakPolarHBondContact O-CB 3.36Å; S11-T15 PolarHBondContact O-N 3.38Å; S11-T15 PolarHBondContact O-OG1 2.77Å; V12-T15 PolarHBondContact O-N 3.28Å; Q13-T15 VanDerWaalsContact C-N 3.32Å; Q13-T15 PolarHBondContact O-N 2.91Å; T15-S19 WeakPolarHBondContact O-CB 3.29Å; T15-S19 PolarHBondContact O-N 2.93Å
16	D	81.2	Confident	73.1	Confident	72 Å²	72	68 Å²	68	39%	0.385	37%	0.367	S	S	.	.	H	α-helix	trans	-61.7	-45.2	173.6	-178	58.3	0	0	0	111.7	V12 Q13 S19 K20	V12-D16 PolarHBondContact O-N 3.26Å; Q13-D16 PolarHBondContact O-N 2.91Å; D16-S19 WeakPolarHBondContact O-CB 3.5Å; D16-S19 PolarHBondContact O-N 2.9Å; D16-K20 WeakPolarHBondContact O-CG 3.36Å; D16-K20 PolarHBondContact O-N 2.83Å; D16-K20 WeakPolarHBondContact OD1-CE 3.41Å; D16-K20 IonicContact OD1-NZ 2.76Å; D16-K20 WeakPolarHBondContact OD2-CE 3.36Å; D16-K20 IonicContact OD2-NZ 3.71Å; D16-K20 PolarHBondContact OD2-NZ 2.92Å
17	I	81.2	Confident	75	Confident	12 Å²	12	65.8 Å²	65.8	6%	0.062	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-47.9	178.2	-72.3	170.9	0	0	0	112	Q13 N14 S19 K20 Q21 I185 L192	Q13-I17 WeakPolarHBondContact O-CG1 3.38Å; Q13-I17 PolarHBondContact O-N 3.36Å; Q13-I17 VanDerWaalsContact O-N 3.1Å; N14-I17 PolarHBondContact O-N 3.4Å; I17-S19 VanDerWaalsContact C-N 3.33Å; I17-S19 PolarHBondContact O-N 3.39Å; I17-K20 PolarHBondContact O-N 2.83Å; I17-Q21 WeakPolarHBondContact O-CG 3.24Å; I17-Q21 PolarHBondContact O-N 3.4Å; I17-I185 HydrophobicContact CG1-CG2 4.5Å; I17-I185 HydrophobicContact CG2-CG2 3.81Å; I17-L192 HydrophobicContact CD1-CD1 3.51Å
18	D	80.9	Confident	76.8	Confident	69 Å²	69	65.9 Å²	65.9	37%	0.369	34%	0.343	S	S	.	.	H	α-helix	trans	-62.6	-41	178.4	177.7	62.2	0	0	0	111.6	N14 Q21 K22	N14-D18 PolarHBondContact O-N 3.25Å; N14-D18 VanDerWaalsContact O-N 3.12Å; D18-Q21 PolarHBondContact O-N 3.5Å; D18-K22 WeakPolarHBondContact O-CB 3.42Å; D18-K22 WeakPolarHBondContact O-CG 3.28Å; D18-K22 PolarHBondContact O-N 2.87Å; D18-K22 WeakPolarHBondContact OD1-CE 3.44Å; D18-K22 IonicContact OD1-NZ 3.31Å; D18-K22 VanDerWaalsContact OD2-CE 3.25Å; D18-K22 WeakPolarHBondContact OD2-CE 3.48Å; D18-K22 IonicContact OD2-NZ 3.65Å; D18-K22 PolarHBondContact OD2-NZ 3.34Å
19	S	88.7	Confident	78.5	Confident	73 Å²	73	68.8 Å²	68.8	51%	0.51	35%	0.35	S	S	.	.	H	α-helix	trans	-59.7	-47.3	174.9	-175.4	0	0	0	0	111.9	T15 D16 I17 K22 S23	T15-S19 WeakPolarHBondContact O-CB 3.29Å; T15-S19 PolarHBondContact O-N 2.93Å; D16-S19 WeakPolarHBondContact O-CB 3.5Å; D16-S19 PolarHBondContact O-N 2.9Å; I17-S19 VanDerWaalsContact C-N 3.33Å; I17-S19 PolarHBondContact O-N 3.39Å; S19-K22 PolarHBondContact O-N 2.83Å; S19-S23 PolarHBondContact O-N 3.38Å
20	K	90.2	Very high	80.3	Confident	25 Å²	25	67.7 Å²	67.7	11%	0.109	35%	0.345	C	S	.	.	H	α-helix	trans	-62.5	-44.3	177.5	-70.3	174.8	173.7	167.5	0	111.7	D16 I17 K22 S23 I24 Y100 I185	D16-K20 WeakPolarHBondContact O-CG 3.36Å; D16-K20 PolarHBondContact O-N 2.83Å; D16-K20 WeakPolarHBondContact OD1-CE 3.41Å; D16-K20 IonicContact OD1-NZ 2.76Å; D16-K20 WeakPolarHBondContact OD2-CE 3.36Å; D16-K20 IonicContact OD2-NZ 3.71Å; D16-K20 PolarHBondContact OD2-NZ 2.92Å; I17-K20 PolarHBondContact O-N 2.83Å; K20-K22 PolarHBondContact O-N 3.31Å; K20-S23 WeakPolarHBondContact O-CB 3.44Å; K20-S23 PolarHBondContact O-N 3.46Å; K20-I24 WeakPolarHBondContact O-CG1 3.43Å; K20-I24 PolarHBondContact O-N 3.04Å; K20-Y100 HydrophobicContact CB-CD1 3.95Å; K20-Y100 HydrophobicContact CB-CE1 4.29Å; K20-Y100 HydrophobicContact CD-CD1 4.45Å; K20-Y100 VanDerWaalsContact CE-O 3.32Å; K20-Y100 WeakPolarHBondContact CE-O 3.15Å; K20-Y100 HydrophobicContact CG-CD1 3.97Å; K20-Y100 PolarHBondContact NZ-O 3.35Å; K20-Y100 VanDerWaalsContact NZ-O 3.15Å; K20-I185 HydrophobicContact CB-CD1 3.83Å; K20-I185 HydrophobicContact CD-CD1 4.42Å
21	Q	87.8	Confident	81.5	Confident	70 Å²	70	67.6 Å²	67.6	33%	0.327	34%	0.342	S	S	.	.	H	α-helix	trans	-61.4	-43.5	176.6	-74	179.8	-26	0	0	112.4	I17 D18 S23 I24 I25 I185	I17-Q21 WeakPolarHBondContact O-CG 3.24Å; I17-Q21 PolarHBondContact O-N 3.4Å; D18-Q21 PolarHBondContact O-N 3.5Å; Q21-S23 VanDerWaalsContact C-N 3.34Å; Q21-S23 PolarHBondContact O-N 3.4Å; Q21-I24 PolarHBondContact O-N 3.14Å; Q21-I25 VanDerWaalsContact O-CG1 3.31Å; Q21-I25 WeakPolarHBondContact O-CG1 3.3Å; Q21-I25 PolarHBondContact O-N 2.96Å; Q21-I185 HydrophobicContact CG-CG2 4.05Å
22	K	90.3	Very high	82.8	Confident	124 Å²	124	70.5 Å²	70.5	54%	0.539	35%	0.347	S	S	.	.	H	α-helix	trans	-62.5	-40.6	175.1	-76.3	171.6	178.1	164.3	0	112.2	D18 S19 K20 I25 R26	D18-K22 WeakPolarHBondContact O-CB 3.42Å; D18-K22 WeakPolarHBondContact O-CG 3.28Å; D18-K22 PolarHBondContact O-N 2.87Å; D18-K22 WeakPolarHBondContact OD1-CE 3.44Å; D18-K22 IonicContact OD1-NZ 3.31Å; D18-K22 VanDerWaalsContact OD2-CE 3.25Å; D18-K22 WeakPolarHBondContact OD2-CE 3.48Å; D18-K22 IonicContact OD2-NZ 3.65Å; D18-K22 PolarHBondContact OD2-NZ 3.34Å; S19-K22 PolarHBondContact O-N 2.83Å; K20-K22 PolarHBondContact O-N 3.31Å; K22-I25 PolarHBondContact O-N 2.87Å; K22-R26 WeakPolarHBondContact O-CB 3.29Å; K22-R26 PolarHBondContact O-N 3Å
23	S	92.9	Very high	84	Confident	26 Å²	26	73.3 Å²	73.3	18%	0.182	35%	0.352	C	S	.	.	H	α-helix	trans	-60.9	-46.7	175.1	-176.9	0	0	0	0	111.5	S19 K20 Q21 I25 R26 K27 Y100	S19-S23 PolarHBondContact O-N 3.38Å; K20-S23 WeakPolarHBondContact O-CB 3.44Å; K20-S23 PolarHBondContact O-N 3.46Å; Q21-S23 VanDerWaalsContact C-N 3.34Å; Q21-S23 PolarHBondContact O-N 3.4Å; S23-I25 PolarHBondContact O-N 3.41Å; S23-R26 WeakPolarHBondContact O-CB 3.27Å; S23-R26 PolarHBondContact O-N 3.38Å; S23-R26 VanDerWaalsContact O-N 3.16Å; S23-K27 PolarHBondContact O-N 2.94Å; S23-Y100 PolarHBondContact OG-OH 3.02Å
24	I	87.7	Confident	85.1	Confident	2 Å²	2	74 Å²	74	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-59.9	-46.6	177.3	-67.5	172.3	0	0	0	111.3	K20 Q21 R26 K27 W28 Y100 L178 I181 A182 I185	K20-I24 WeakPolarHBondContact O-CG1 3.43Å; K20-I24 PolarHBondContact O-N 3.04Å; Q21-I24 PolarHBondContact O-N 3.14Å; I24-R26 VanDerWaalsContact C-N 3.26Å; I24-R26 PolarHBondContact O-N 3.23Å; I24-K27 PolarHBondContact O-N 2.98Å; I24-W28 HydrophobicContact CG2-CD2 3.92Å; I24-W28 HydrophobicContact CG2-CE3 4.15Å; I24-W28 HydrophobicContact CG2-CH2 3.93Å; I24-W28 HydrophobicContact CG2-CZ2 3.68Å; I24-W28 HydrophobicContact CG2-CZ3 4.16Å; I24-W28 PolarHBondContact O-N 2.9Å; I24-Y100 HydrophobicContact CD1-CD1 4.43Å; I24-Y100 HydrophobicContact CD1-CE1 4.16Å; I24-Y100 HydrophobicContact CD1-CE2 4.48Å; I24-Y100 HydrophobicContact CG1-CD1 4.36Å; I24-Y100 HydrophobicContact CG1-CE1 3.62Å; I24-Y100 HydrophobicContact CG1-CE2 3.92Å; I24-Y100 WeakPolarHBondContact CG1-OH 3.46Å; I24-Y100 PolarHBondContact N-OH 3.04Å; I24-L178 HydrophobicContact CG1-CD2 4.19Å; I24-L178 HydrophobicContact CG2-CB 4.17Å; I24-L178 HydrophobicContact CG2-CD2 4.49Å; I24-I181 HydrophobicContact CD1-CG2 3.96Å; I24-A182 HydrophobicContact CD1-CB 4.09Å; I24-A182 HydrophobicContact CG2-CB 4.38Å; I24-I185 HydrophobicContact CD1-CD1 3.55Å
25	I	88.3	Confident	85.9	Confident	80 Å²	80	72.1 Å²	72.1	41%	0.41	34%	0.341	S	S	.	.	H	α-helix	trans	-60.8	-37.7	178.2	-68.7	165.8	0	0	0	111.1	Q21 K22 S23 W28 K29	Q21-I25 VanDerWaalsContact O-CG1 3.31Å; Q21-I25 WeakPolarHBondContact O-CG1 3.3Å; Q21-I25 PolarHBondContact O-N 2.96Å; K22-I25 PolarHBondContact O-N 2.87Å; S23-I25 PolarHBondContact O-N 3.41Å; I25-W28 HydrophobicContact CG1-CE3 4.49Å; I25-K29 HydrophobicContact CG2-CD 4.49Å; I25-K29 WeakPolarHBondContact O-CG 3.46Å; I25-K29 PolarHBondContact O-N 3.48Å
26	R	93.9	Very high	86.6	Confident	118 Å²	118	71.8 Å²	71.8	45%	0.445	33%	0.332	S	S	.	.	H	α-helix	trans	-64.4	-51.1	175.7	-177.7	-174.7	63.2	81	4.1	111	K22 S23 I24 W28 K29 E30	K22-R26 WeakPolarHBondContact O-CB 3.29Å; K22-R26 PolarHBondContact O-N 3Å; S23-R26 WeakPolarHBondContact O-CB 3.27Å; S23-R26 PolarHBondContact O-N 3.38Å; S23-R26 VanDerWaalsContact O-N 3.16Å; I24-R26 VanDerWaalsContact C-N 3.26Å; I24-R26 PolarHBondContact O-N 3.23Å; R26-W28 VanDerWaalsContact C-N 3.33Å; R26-W28 PolarHBondContact O-N 3.37Å; R26-K29 WeakPolarHBondContact O-CB 3.48Å; R26-K29 PolarHBondContact O-N 2.97Å; R26-K29 VanDerWaalsContact O-N 3.1Å; R26-E30 VanDerWaalsContact CG-OE1 3.28Å; R26-E30 WeakPolarHBondContact CG-OE1 3.44Å; R26-E30 IonicContact CZ-OE1 2.75Å; R26-E30 IonicContact CZ-OE2 2.83Å; R26-E30 IonicContact NH1-OE1 3.92Å; R26-E30 PolarHBondContact NH1-OE1 3.43Å; R26-E30 IonicContact NH1-OE2 3.02Å; R26-E30 PolarHBondContact NH1-OE2 3.17Å; R26-E30 WeakPolarHBondContact O-CG 3.12Å; R26-E30 PolarHBondContact O-N 3.35Å
27	K	91.6	Very high	86.9	Confident	19 Å²	19	71.6 Å²	71.6	8%	0.083	34%	0.337	C	S	.	.	H	α-helix	trans	-57.4	-43.9	177.3	-74.5	-168.3	176	-171.3	0	112.1	S23 I24 K29 E30 N31 E96 E99 L178	S23-K27 PolarHBondContact O-N 2.94Å; I24-K27 PolarHBondContact O-N 2.98Å; K27-K29 VanDerWaalsContact C-N 3.31Å; K27-K29 PolarHBondContact O-N 3.4Å; K27-E30 PolarHBondContact O-N 3.39Å; K27-E30 VanDerWaalsContact O-N 3.12Å; K27-N31 WeakPolarHBondContact O-CB 3.44Å; K27-N31 VanDerWaalsContact O-CG 3.28Å; K27-N31 PolarHBondContact O-N 3.26Å; K27-E96 IonicContact NZ-OE1 2.66Å; K27-E96 PolarHBondContact NZ-OE1 2.96Å; K27-E96 IonicContact NZ-OE2 3.29Å; K27-E96 PolarHBondContact NZ-OE2 2.72Å; K27-E99 VanDerWaalsContact CE-OE1 3.31Å; K27-E99 WeakPolarHBondContact CE-OE1 3.43Å; K27-E99 WeakPolarHBondContact CE-OE2 3.4Å; K27-E99 VanDerWaalsContact NZ-CD 3.27Å; K27-E99 IonicContact NZ-OE1 3.2Å; K27-E99 PolarHBondContact NZ-OE1 2.8Å; K27-E99 IonicContact NZ-OE2 2.88Å; K27-E99 PolarHBondContact NZ-OE2 2.88Å; K27-L178 HydrophobicContact CB-CD1 3.76Å; K27-L178 HydrophobicContact CD-CD1 4.14Å; K27-L178 HydrophobicContact CD-CD2 4.09Å
28	W	88.6	Confident	87.1	Confident	84 Å²	84	71.7 Å²	71.7	32%	0.318	34%	0.337	S	S	.	.	H	α-helix	trans	-57.5	-41.3	174.7	-77.4	-17	0	0	0	113.6	I24 I25 R26 K32 N175 L178 A182	I24-W28 HydrophobicContact CG2-CD2 3.92Å; I24-W28 HydrophobicContact CG2-CE3 4.15Å; I24-W28 HydrophobicContact CG2-CH2 3.93Å; I24-W28 HydrophobicContact CG2-CZ2 3.68Å; I24-W28 HydrophobicContact CG2-CZ3 4.16Å; I24-W28 PolarHBondContact O-N 2.9Å; I25-W28 HydrophobicContact CG1-CE3 4.49Å; R26-W28 VanDerWaalsContact C-N 3.33Å; R26-W28 PolarHBondContact O-N 3.37Å; W28-K32 VanDerWaalsContact O-CB 3.27Å; W28-K32 WeakPolarHBondContact O-CB 3.32Å; W28-K32 PolarHBondContact O-N 3.19Å; W28-N175 VanDerWaalsContact CD1-OD1 3.27Å; W28-N175 PolarHBondContact NE1-O 3.01Å; W28-L178 HydrophobicContact CZ2-CB 4.44Å; W28-L178 VanDerWaalsContact NE1-CB 3.3Å; W28-A182 HydrophobicContact CH2-CB 4.08Å; W28-A182 HydrophobicContact CZ2-CB 4.33Å
29	K	86.6	Confident	87	Confident	137 Å²	137	70.6 Å²	70.6	60%	0.596	33%	0.331	S	S	*	.	H	α-helix	trans	-67.3	-37.6	176.7	-72	175.5	-178.8	-178.6	0	112	I25 R26 K27 K33	I25-K29 HydrophobicContact CG2-CD 4.49Å; I25-K29 WeakPolarHBondContact O-CG 3.46Å; I25-K29 PolarHBondContact O-N 3.48Å; R26-K29 WeakPolarHBondContact O-CB 3.48Å; R26-K29 PolarHBondContact O-N 2.97Å; R26-K29 VanDerWaalsContact O-N 3.1Å; K27-K29 VanDerWaalsContact C-N 3.31Å; K27-K29 PolarHBondContact O-N 3.4Å; K29-K33 WeakPolarHBondContact O-CG 3.49Å; K29-K33 PolarHBondContact O-N 2.9Å
30	E	92.7	Very high	86.8	Confident	91 Å²	91	73.3 Å²	73.3	43%	0.425	34%	0.336	S	S	.	.	H	α-helix	trans	-66.5	-49.8	176.4	-71.6	167.3	-174.3	0	0	110.7	R26 K27 K32 K33 Y34	R26-E30 VanDerWaalsContact CG-OE1 3.28Å; R26-E30 WeakPolarHBondContact CG-OE1 3.44Å; R26-E30 IonicContact CZ-OE1 2.75Å; R26-E30 IonicContact CZ-OE2 2.83Å; R26-E30 IonicContact NH1-OE1 3.92Å; R26-E30 PolarHBondContact NH1-OE1 3.43Å; R26-E30 IonicContact NH1-OE2 3.02Å; R26-E30 PolarHBondContact NH1-OE2 3.17Å; R26-E30 WeakPolarHBondContact O-CG 3.12Å; R26-E30 PolarHBondContact O-N 3.35Å; K27-E30 PolarHBondContact O-N 3.39Å; K27-E30 VanDerWaalsContact O-N 3.12Å; E30-K32 VanDerWaalsContact C-N 3.32Å; E30-K32 PolarHBondContact O-N 2.71Å; E30-K33 PolarHBondContact O-N 2.91Å; E30-Y34 PolarHBondContact O-N 3.42Å
31	N	81.5	Confident	86.6	Confident	13 Å²	13	74.2 Å²	74.2	7%	0.07	35%	0.345	C	S	.	.	H	α-helix	trans	-62.3	-39	178.2	-68.4	-6.4	0	0	0	111.8	K27 Y34 I35 M171 E174 N175	K27-N31 WeakPolarHBondContact O-CB 3.44Å; K27-N31 VanDerWaalsContact O-CG 3.28Å; K27-N31 PolarHBondContact O-N 3.26Å; N31-Y34 PolarHBondContact O-N 3.32Å; N31-I35 WeakPolarHBondContact O-CB 3.38Å; N31-I35 VanDerWaalsContact O-CG1 3.24Å; N31-I35 WeakPolarHBondContact O-CG1 3.48Å; N31-I35 PolarHBondContact O-N 3.4Å; N31-M171 HydrophobicContact CB-CB 4.35Å; N31-M171 PolarHBondContact OD1-SD 3.44Å; N31-E174 VanDerWaalsContact ND2-CD 3.25Å; N31-E174 PolarHBondContact ND2-OE1 3.18Å; N31-N175 WeakPolarHBondContact CB-OD1 3.27Å; N31-N175 PolarHBondContact ND2-OD1 3.28Å
32	K	82.5	Confident	86.3	Confident	122 Å²	122	71.8 Å²	71.8	53%	0.53	33%	0.334	S	S	.	.	H	α-helix	trans	-57.8	-51.4	174.1	177.5	176.2	171.7	176.6	0	111.5	W28 E30 Y34 I35 E36	W28-K32 VanDerWaalsContact O-CB 3.27Å; W28-K32 WeakPolarHBondContact O-CB 3.32Å; W28-K32 PolarHBondContact O-N 3.19Å; E30-K32 VanDerWaalsContact C-N 3.32Å; E30-K32 PolarHBondContact O-N 2.71Å; K32-Y34 VanDerWaalsContact C-N 3.27Å; K32-Y34 PolarHBondContact O-N 2.73Å; K32-I35 PolarHBondContact O-N 3.46Å; K32-E36 WeakPolarHBondContact CE-OE1 3.33Å; K32-E36 IonicContact NZ-OE1 2.67Å; K32-E36 WeakPolarHBondContact O-CG 3.47Å; K32-E36 PolarHBondContact O-N 3Å
33	K	85.1	Confident	85.9	Confident	149 Å²	149	69.1 Å²	69.1	65%	0.648	32%	0.323	S	S	*	.	H	α-helix	trans	-60.5	-39.1	178.8	-72.2	177.2	178.3	-173.7	0	112	K29 E30 E36 S37	K29-K33 WeakPolarHBondContact O-CG 3.49Å; K29-K33 PolarHBondContact O-N 2.9Å; E30-K33 PolarHBondContact O-N 2.91Å; K33-E36 PolarHBondContact O-N 3.26Å; K33-S37 PolarHBondContact O-N 3.47Å
34	Y	85.3	Confident	85.7	Confident	108 Å²	108	70.8 Å²	70.8	42%	0.424	33%	0.33	S	S	.	.	H	α-helix	trans	-67	-44.6	178.7	-168.7	-95.7	0	0	0	111.9	E30 N31 K32 S37 M38 M171	E30-Y34 PolarHBondContact O-N 3.42Å; N31-Y34 PolarHBondContact O-N 3.32Å; K32-Y34 VanDerWaalsContact C-N 3.27Å; K32-Y34 PolarHBondContact O-N 2.73Å; Y34-S37 PolarHBondContact O-N 2.93Å; Y34-M38 HydrophobicContact CD1-CE 4.01Å; Y34-M38 HydrophobicContact CD1-CG 4.23Å; Y34-M38 HydrophobicContact CD1-SD 3.58Å; Y34-M38 VanDerWaalsContact CD1-SD 3.58Å; Y34-M38 HydrophobicContact CE1-CE 3.07Å; Y34-M38 HydrophobicContact CE1-CG 4.14Å; Y34-M38 HydrophobicContact CE1-SD 3.2Å; Y34-M38 WeakPolarHBondContact CE1-SD 3.44Å; Y34-M38 HydrophobicContact CE2-CE 4.33Å; Y34-M38 WeakPolarHBondContact O-CG 3.4Å; Y34-M38 PolarHBondContact O-N 2.95Å; Y34-M38 WeakPolarHBondContact OH-CE 3.39Å; Y34-M171 HydrophobicContact CD1-CE 3.99Å; Y34-M171 HydrophobicContact CD1-CG 3.5Å; Y34-M171 HydrophobicContact CD1-SD 4.32Å; Y34-M171 HydrophobicContact CE1-CE 3.75Å; Y34-M171 HydrophobicContact CE1-CG 3.94Å; Y34-M171 HydrophobicContact CG-CG 4.41Å
35	I	78.6	Confident	85.5	Confident	26 Å²	26	70.8 Å²	70.8	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-45.9	174.7	-69.8	165.5	0	0	0	110.6	N31 K32 S37 M38 I39 I168 M171	N31-I35 WeakPolarHBondContact O-CB 3.38Å; N31-I35 VanDerWaalsContact O-CG1 3.24Å; N31-I35 WeakPolarHBondContact O-CG1 3.48Å; N31-I35 PolarHBondContact O-N 3.4Å; K32-I35 PolarHBondContact O-N 3.46Å; I35-S37 PolarHBondContact O-N 3.37Å; I35-M38 PolarHBondContact O-N 2.94Å; I35-I39 HydrophobicContact CG2-CD1 3.73Å; I35-I39 HydrophobicContact CG2-CG1 4.35Å; I35-I39 VanDerWaalsContact O-CG1 3.31Å; I35-I39 WeakPolarHBondContact O-CG1 3.46Å; I35-I39 PolarHBondContact O-N 3.45Å; I35-I168 HydrophobicContact CG2-CG2 4.45Å; I35-M171 HydrophobicContact CD1-CB 3.74Å; I35-M171 HydrophobicContact CG1-CB 3.61Å; I35-M171 HydrophobicContact CG1-CG 4.41Å
36	E	82.8	Confident	85.4	Confident	87 Å²	87	68.2 Å²	68.2	41%	0.407	32%	0.316	S	S	.	.	H	α-helix	trans	-57.1	-48.4	177.3	-73.7	168.9	163.4	0	0	111.2	K32 K33 M38 I39 E40	K32-E36 WeakPolarHBondContact CE-OE1 3.33Å; K32-E36 IonicContact NZ-OE1 2.67Å; K32-E36 WeakPolarHBondContact O-CG 3.47Å; K32-E36 PolarHBondContact O-N 3Å; K33-E36 PolarHBondContact O-N 3.26Å; E36-M38 VanDerWaalsContact C-N 3.33Å; E36-M38 PolarHBondContact O-N 3.43Å; E36-I39 PolarHBondContact O-N 3.36Å; E36-E40 PolarHBondContact O-N 3.02Å; E36-E40 VanDerWaalsContact O-N 3.11Å
37	S	88.3	Confident	85.2	Confident	69 Å²	69	69 Å²	69	48%	0.483	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-36.9	176.8	178.9	0	0	0	0	113.3	K33 Y34 I35 E40 S41	K33-S37 PolarHBondContact O-N 3.47Å; Y34-S37 PolarHBondContact O-N 2.93Å; I35-S37 PolarHBondContact O-N 3.37Å; S37-E40 PolarHBondContact O-N 2.94Å; S37-S41 WeakPolarHBondContact O-CB 3.36Å; S37-S41 PolarHBondContact O-N 3.02Å
38	M	84	Confident	85	Confident	14 Å²	14	71.5 Å²	71.5	7%	0.069	33%	0.33	C	S	.	.	H	α-helix	trans	-71.2	-34.3	177	-76.1	-175	150.3	0	0	113.1	Y34 I35 E36 S41 F42 G167 I168	Y34-M38 HydrophobicContact CD1-CE 4.01Å; Y34-M38 HydrophobicContact CD1-CG 4.23Å; Y34-M38 HydrophobicContact CD1-SD 3.58Å; Y34-M38 VanDerWaalsContact CD1-SD 3.58Å; Y34-M38 HydrophobicContact CE1-CE 3.07Å; Y34-M38 HydrophobicContact CE1-CG 4.14Å; Y34-M38 HydrophobicContact CE1-SD 3.2Å; Y34-M38 WeakPolarHBondContact CE1-SD 3.44Å; Y34-M38 HydrophobicContact CE2-CE 4.33Å; Y34-M38 WeakPolarHBondContact O-CG 3.4Å; Y34-M38 PolarHBondContact O-N 2.95Å; Y34-M38 WeakPolarHBondContact OH-CE 3.39Å; I35-M38 PolarHBondContact O-N 2.94Å; E36-M38 VanDerWaalsContact C-N 3.33Å; E36-M38 PolarHBondContact O-N 3.43Å; M38-S41 PolarHBondContact O-N 3.49Å; M38-F42 WeakPolarHBondContact O-CB 3.47Å; M38-F42 PolarHBondContact O-N 2.94Å; M38-G167 WeakPolarHBondContact SD-CA 3.43Å; M38-I168 HydrophobicContact CB-CD1 4.08Å; M38-I168 HydrophobicContact CB-CG1 3.67Å; M38-I168 HydrophobicContact SD-CG1 4.33Å
39	I	78.9	Confident	84.7	Confident	46 Å²	46	67.9 Å²	67.9	24%	0.236	32%	0.317	C	S	.	.	H	α-helix	trans	-64	-44.7	174.1	-70.7	166.7	0	0	0	109.7	I35 E36 S41 F42 Q43 I168	I35-I39 HydrophobicContact CG2-CD1 3.73Å; I35-I39 HydrophobicContact CG2-CG1 4.35Å; I35-I39 VanDerWaalsContact O-CG1 3.31Å; I35-I39 WeakPolarHBondContact O-CG1 3.46Å; I35-I39 PolarHBondContact O-N 3.45Å; E36-I39 PolarHBondContact O-N 3.36Å; I39-S41 PolarHBondContact O-N 3.48Å; I39-F42 WeakPolarHBondContact O-CB 3.48Å; I39-F42 PolarHBondContact O-N 3.22Å; I39-Q43 HydrophobicContact CG2-CG 4.44Å; I39-Q43 WeakPolarHBondContact O-CB 3.49Å; I39-Q43 VanDerWaalsContact O-CG 3.24Å; I39-Q43 WeakPolarHBondContact O-CG 3.41Å; I39-Q43 PolarHBondContact O-N 3.38Å; I39-I168 HydrophobicContact CG1-CD1 3.84Å; I39-I168 HydrophobicContact CG1-CG1 4.42Å
40	E	84.3	Confident	84.6	Confident	130 Å²	130	65.2 Å²	65.2	61%	0.607	31%	0.307	S	S	*	.	H	α-helix	trans	-60.1	-46.4	176.2	-69.5	174.4	-179.3	0	0	111.7	E36 S37 Q43 D44	E36-E40 PolarHBondContact O-N 3.02Å; E36-E40 VanDerWaalsContact O-N 3.11Å; S37-E40 PolarHBondContact O-N 2.94Å; E40-Q43 PolarHBondContact O-N 3.12Å; E40-D44 PolarHBondContact O-N 3.21Å
41	S	86.7	Confident	84.3	Confident	44 Å²	44	64.8 Å²	64.8	31%	0.308	31%	0.307	S	S	.	.	H	α-helix	trans	-62.9	-40.7	176.7	-176.6	0	0	0	0	112.3	S37 M38 I39 D44 A45 N164	S37-S41 WeakPolarHBondContact O-CB 3.36Å; S37-S41 PolarHBondContact O-N 3.02Å; M38-S41 PolarHBondContact O-N 3.49Å; I39-S41 PolarHBondContact O-N 3.48Å; S41-D44 PolarHBondContact O-N 3.48Å; S41-A45 WeakPolarHBondContact O-CB 3.35Å; S41-A45 PolarHBondContact O-N 3.1Å; S41-N164 VanDerWaalsContact C-ND2 3.32Å; S41-N164 WeakPolarHBondContact CB-ND2 3.37Å; S41-N164 PolarHBondContact OG-ND2 3.39Å; S41-N164 PolarHBondContact OG-OD1 2.71Å
42	F	82.4	Confident	84.3	Confident	19 Å²	19	65.2 Å²	65.2	8%	0.083	31%	0.309	C	S	.	.	H	α-helix	trans	-61.8	-47.4	176.3	175	-90.9	0	0	0	111.3	M38 I39 D44 A45 E46 R161 N164 I165 I278	M38-F42 WeakPolarHBondContact O-CB 3.47Å; M38-F42 PolarHBondContact O-N 2.94Å; I39-F42 WeakPolarHBondContact O-CB 3.48Å; I39-F42 PolarHBondContact O-N 3.22Å; F42-D44 VanDerWaalsContact C-N 3.33Å; F42-D44 PolarHBondContact O-N 3.48Å; F42-A45 PolarHBondContact O-N 3.43Å; F42-E46 VanDerWaalsContact CE1-OE2 3.29Å; F42-E46 WeakPolarHBondContact CE1-OE2 3.44Å; F42-E46 WeakPolarHBondContact O-CB 3.49Å; F42-E46 PolarHBondContact O-N 3.48Å; F42-R161 HydrophobicContact CD2-CG 3.83Å; F42-R161 HydrophobicContact CE2-CG 3.41Å; F42-R161 VanDerWaalsContact CE2-CG 3.41Å; F42-R161 HydrophobicContact CZ-CG 4.28Å; F42-N164 HydrophobicContact CB-CB 3.87Å; F42-N164 HydrophobicContact CD2-CB 4.32Å; F42-N164 PolarHBondContact N-ND2 2.99Å; F42-I165 HydrophobicContact CD2-CD1 4.48Å; F42-I165 HydrophobicContact CD2-CG1 3.9Å; F42-I165 HydrophobicContact CE2-CD1 3.73Å; F42-I165 HydrophobicContact CE2-CG1 3.57Å; F42-I278 HydrophobicContact CZ-CG2 4.44Å
43	Q	81.8	Confident	84	Confident	67 Å²	67	60.3 Å²	60.3	31%	0.313	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-37.6	179.3	-73.4	172.1	-17.5	0	0	112.4	I39 E40 R47 L275	I39-Q43 HydrophobicContact CG2-CG 4.44Å; I39-Q43 WeakPolarHBondContact O-CB 3.49Å; I39-Q43 VanDerWaalsContact O-CG 3.24Å; I39-Q43 WeakPolarHBondContact O-CG 3.41Å; I39-Q43 PolarHBondContact O-N 3.38Å; E40-Q43 PolarHBondContact O-N 3.12Å; Q43-R47 WeakPolarHBondContact O-CB 3.45Å; Q43-R47 PolarHBondContact O-N 2.98Å; Q43-R47 VanDerWaalsContact O-N 3.09Å; Q43-L275 HydrophobicContact CG-CD1 3.98Å
44	D	87.7	Confident	83.9	Confident	61 Å²	61	57 Å²	57	33%	0.326	28%	0.279	S	S	.	.	H	α-helix	trans	-66.4	-43	174.9	-177.9	65.9	0	0	0	111.7	E40 S41 F42 K48	E40-D44 PolarHBondContact O-N 3.21Å; S41-D44 PolarHBondContact O-N 3.48Å; F42-D44 VanDerWaalsContact C-N 3.33Å; F42-D44 PolarHBondContact O-N 3.48Å; D44-K48 WeakPolarHBondContact O-CG 3.25Å; D44-K48 PolarHBondContact O-N 3.4Å; D44-K48 VanDerWaalsContact O-N 3.14Å; D44-K48 WeakPolarHBondContact OD1-CE 3.37Å; D44-K48 IonicContact OD1-NZ 2.88Å; D44-K48 WeakPolarHBondContact OD2-CE 3.38Å; D44-K48 IonicContact OD2-NZ 3.87Å; D44-K48 PolarHBondContact OD2-NZ 3.04Å
45	A	84.5	Confident	83.6	Confident	2 Å²	2	57.9 Å²	57.9	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-44.1	175.4	0	0	0	0	0	111.9	S41 F42 K48 I49 R161	S41-A45 WeakPolarHBondContact O-CB 3.35Å; S41-A45 PolarHBondContact O-N 3.1Å; F42-A45 PolarHBondContact O-N 3.43Å; A45-K48 PolarHBondContact O-N 2.67Å; A45-I49 VanDerWaalsContact O-CG1 3.27Å; A45-I49 WeakPolarHBondContact O-CG1 3.48Å; A45-I49 PolarHBondContact O-N 2.97Å; A45-R161 HydrophobicContact CB-CB 4.39Å
46	E	85.4	Confident	83.3	Confident	27 Å²	27	57.2 Å²	57.2	13%	0.126	28%	0.283	C	S	.	.	H	α-helix	trans	-58.9	-49.1	178	-173.5	169.6	-145.2	0	0	111.4	F42 K48 I49 E50	F42-E46 VanDerWaalsContact CE1-OE2 3.29Å; F42-E46 WeakPolarHBondContact CE1-OE2 3.44Å; F42-E46 WeakPolarHBondContact O-CB 3.49Å; F42-E46 PolarHBondContact O-N 3.48Å; E46-K48 VanDerWaalsContact C-N 3.34Å; E46-K48 PolarHBondContact O-N 3.34Å; E46-I49 PolarHBondContact O-N 2.89Å; E46-E50 PolarHBondContact O-N 3.13Å
47	R	89	Confident	82.9	Confident	134 Å²	134	58 Å²	58	51%	0.506	29%	0.285	S	S	.	.	H	α-helix	trans	-58.3	-43.9	176.6	-169.6	-171.8	-50.7	140	11.6	112.5	Q43 I49 E50 D51	Q43-R47 WeakPolarHBondContact O-CB 3.45Å; Q43-R47 PolarHBondContact O-N 2.98Å; Q43-R47 VanDerWaalsContact O-N 3.09Å; R47-I49 VanDerWaalsContact C-N 3.33Å; R47-I49 PolarHBondContact O-N 3.25Å; R47-E50 PolarHBondContact O-N 3.42Å; R47-D51 VanDerWaalsContact O-CG 3.32Å; R47-D51 PolarHBondContact O-N 2.82Å
48	K	88.9	Confident	82.2	Confident	71 Å²	71	63.1 Å²	63.1	31%	0.309	30%	0.301	S	S	.	.	H	α-helix	trans	-67.7	-33.2	179.7	-73.4	167.7	175.1	170.2	0	112.7	D44 A45 E46 F52 L157	D44-K48 WeakPolarHBondContact O-CG 3.25Å; D44-K48 PolarHBondContact O-N 3.4Å; D44-K48 VanDerWaalsContact O-N 3.14Å; D44-K48 WeakPolarHBondContact OD1-CE 3.37Å; D44-K48 IonicContact OD1-NZ 2.88Å; D44-K48 WeakPolarHBondContact OD2-CE 3.38Å; D44-K48 IonicContact OD2-NZ 3.87Å; D44-K48 PolarHBondContact OD2-NZ 3.04Å; A45-K48 PolarHBondContact O-N 2.67Å; E46-K48 VanDerWaalsContact C-N 3.34Å; E46-K48 PolarHBondContact O-N 3.34Å; K48-F52 VanDerWaalsContact O-CB 3.29Å; K48-F52 WeakPolarHBondContact O-CB 3.47Å; K48-F52 PolarHBondContact O-N 2.89Å; K48-L157 HydrophobicContact CB-CD1 3.7Å; K48-L157 HydrophobicContact CB-CD2 3.86Å; K48-L157 HydrophobicContact CB-CG 4.44Å; K48-L157 HydrophobicContact CD-CD2 3.84Å
49	I	82.6	Confident	81.4	Confident	9 Å²	9	66 Å²	66	5%	0.046	32%	0.32	C	S	.	.	H	α-helix	trans	-67	-46.5	173.3	-68	168	0	0	0	109.4	A45 E46 R47 D51 F52 T53 L157 I158 R161	A45-I49 VanDerWaalsContact O-CG1 3.27Å; A45-I49 WeakPolarHBondContact O-CG1 3.48Å; A45-I49 PolarHBondContact O-N 2.97Å; E46-I49 PolarHBondContact O-N 2.89Å; R47-I49 VanDerWaalsContact C-N 3.33Å; R47-I49 PolarHBondContact O-N 3.25Å; I49-D51 PolarHBondContact O-N 2.99Å; I49-F52 PolarHBondContact O-N 3.39Å; I49-T53 WeakPolarHBondContact O-CB 3.5Å; I49-T53 PolarHBondContact O-N 2.93Å; I49-T53 PolarHBondContact O-OG1 3Å; I49-L157 HydrophobicContact CD1-CB 3.99Å; I49-L157 HydrophobicContact CG1-CB 3.62Å; I49-L157 HydrophobicContact CG1-CD1 4.08Å; I49-L157 HydrophobicContact CG1-CG 4.48Å; I49-I158 HydrophobicContact CD1-CG1 4.3Å; I49-R161 HydrophobicContact CD1-CB 4.42Å
50	E	84.5	Confident	80.9	Confident	80 Å²	80	65.7 Å²	65.7	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-57.9	-48.8	175.6	-71	-178.6	170.5	0	0	111.9	E46 R47 F52 T53 D54 Y271	E46-E50 PolarHBondContact O-N 3.13Å; R47-E50 PolarHBondContact O-N 3.42Å; E50-F52 VanDerWaalsContact C-N 3.29Å; E50-F52 PolarHBondContact O-N 2.93Å; E50-T53 PolarHBondContact O-N 3.4Å; E50-D54 WeakPolarHBondContact O-CB 3.31Å; E50-D54 PolarHBondContact O-N 3.24Å; E50-Y271 PolarHBondContact OE1-OH 3.27Å; E50-Y271 PolarHBondContact OE2-OH 3.36Å
51	D	85.4	Confident	80	Confident	83 Å²	83	66.6 Å²	66.6	44%	0.444	34%	0.337	S	S	.	.	H	α-helix	trans	-58.9	-39.3	177.3	-72.2	-20.8	0	0	0	112	R47 I49 Q55	R47-D51 VanDerWaalsContact O-CG 3.32Å; R47-D51 PolarHBondContact O-N 2.82Å; I49-D51 PolarHBondContact O-N 2.99Å; D51-Q55 VanDerWaalsContact O-CG 3.28Å; D51-Q55 WeakPolarHBondContact O-CG 3.38Å; D51-Q55 PolarHBondContact O-N 3.28Å; D51-Q55 VanDerWaalsContact O-N 3.15Å; D51-Q55 PolarHBondContact O-NE2 3.47Å
52	F	81.2	Confident	79.1	Confident	22 Å²	22	66.5 Å²	66.5	10%	0.096	33%	0.331	C	S	.	.	H	α-helix	trans	-69	-45.6	177.2	-171.6	-87.2	0	0	0	111.5	K48 I49 E50 D54 Q55 L56 Y153 L154	K48-F52 VanDerWaalsContact O-CB 3.29Å; K48-F52 WeakPolarHBondContact O-CB 3.47Å; K48-F52 PolarHBondContact O-N 2.89Å; I49-F52 PolarHBondContact O-N 3.39Å; E50-F52 VanDerWaalsContact C-N 3.29Å; E50-F52 PolarHBondContact O-N 2.93Å; F52-D54 VanDerWaalsContact C-N 3.33Å; F52-D54 PolarHBondContact O-N 3.2Å; F52-Q55 PolarHBondContact O-N 3.43Å; F52-L56 HydrophobicContact CD1-CD1 3.73Å; F52-L56 HydrophobicContact CD1-CG 4.29Å; F52-L56 HydrophobicContact CE1-CD1 3.39Å; F52-L56 HydrophobicContact CE1-CG 4.08Å; F52-L56 HydrophobicContact CZ-CD1 4.35Å; F52-L56 WeakPolarHBondContact O-CG 3.38Å; F52-L56 PolarHBondContact O-N 3.34Å; F52-L56 VanDerWaalsContact O-N 3.09Å; F52-Y153 HydrophobicContact CD2-CD1 4.39Å; F52-L154 HydrophobicContact CD1-CB 4.35Å; F52-L154 HydrophobicContact CD1-CD1 3.87Å; F52-L154 HydrophobicContact CD1-CD2 4.13Å; F52-L154 HydrophobicContact CD1-CG 4.33Å; F52-L154 HydrophobicContact CE1-CB 3.95Å; F52-L154 HydrophobicContact CE1-CD1 4.22Å; F52-L154 HydrophobicContact CE1-CD2 3.72Å; F52-L154 HydrophobicContact CE1-CG 4.17Å; F52-L154 HydrophobicContact CG-CD1 4.42Å; F52-L154 HydrophobicContact CZ-CB 4.1Å
53	T	77.6	Confident	78.6	Confident	18 Å²	18	68.3 Å²	68.3	11%	0.11	34%	0.338	C	S	.	.	H	α-helix	trans	-61.9	-40.5	177.5	-65	0	0	0	0	111.1	I49 E50 L56 K57 Y63	I49-T53 WeakPolarHBondContact O-CB 3.5Å; I49-T53 PolarHBondContact O-N 2.93Å; I49-T53 PolarHBondContact O-OG1 3Å; E50-T53 PolarHBondContact O-N 3.4Å; T53-L56 PolarHBondContact O-N 3.34Å; T53-K57 PolarHBondContact O-N 3.16Å; T53-K57 VanDerWaalsContact O-N 3.1Å; T53-Y63 HydrophobicContact CG2-CE2 3.57Å; T53-Y63 WeakPolarHBondContact O-CE2 3.32Å
54	D	81.8	Confident	78.4	Confident	81 Å²	81	72 Å²	72	43%	0.433	36%	0.356	S	S	.	.	H	α-helix	trans	-68.8	-38.6	177.6	-77.7	-13.9	0	0	0	112.7	E50 F52 L56 K57	E50-D54 WeakPolarHBondContact O-CB 3.31Å; E50-D54 PolarHBondContact O-N 3.24Å; F52-D54 VanDerWaalsContact C-N 3.33Å; F52-D54 PolarHBondContact O-N 3.2Å; D54-L56 VanDerWaalsContact C-N 3.27Å; D54-L56 PolarHBondContact O-N 3Å; D54-K57 PolarHBondContact O-N 3.45Å; D54-K57 IonicContact OD1-NZ 2.73Å; D54-K57 PolarHBondContact OD1-NZ 3.33Å
55	Q	79	Confident	77.9	Confident	126 Å²	126	73.6 Å²	73.6	59%	0.589	36%	0.361	S	S	*	.	H	α-helix	trans	-60.6	-37.7	171.5	-74.8	169.6	44.7	0	0	112	D51 F52 E58	D51-Q55 VanDerWaalsContact O-CG 3.28Å; D51-Q55 WeakPolarHBondContact O-CG 3.38Å; D51-Q55 PolarHBondContact O-N 3.28Å; D51-Q55 VanDerWaalsContact O-N 3.15Å; D51-Q55 PolarHBondContact O-NE2 3.47Å; F52-Q55 PolarHBondContact O-N 3.43Å; Q55-E58 PolarHBondContact O-N 3.49Å
56	L	73.1	Confident	77.4	Confident	11 Å²	11	73.9 Å²	73.9	6%	0.058	36%	0.362	C	S	.	.	H	α-helix	trans	-70.1	-34.3	177.8	-73.8	176.5	0	0	0	113.1	F52 T53 D54 E58 T59 Y63 V66 F148	F52-L56 HydrophobicContact CD1-CD1 3.73Å; F52-L56 HydrophobicContact CD1-CG 4.29Å; F52-L56 HydrophobicContact CE1-CD1 3.39Å; F52-L56 HydrophobicContact CE1-CG 4.08Å; F52-L56 HydrophobicContact CZ-CD1 4.35Å; F52-L56 WeakPolarHBondContact O-CG 3.38Å; F52-L56 PolarHBondContact O-N 3.34Å; F52-L56 VanDerWaalsContact O-N 3.09Å; T53-L56 PolarHBondContact O-N 3.34Å; D54-L56 VanDerWaalsContact C-N 3.27Å; D54-L56 PolarHBondContact O-N 3Å; L56-E58 PolarHBondContact O-N 2.96Å; L56-E58 VanDerWaalsContact O-N 3.16Å; L56-T59 PolarHBondContact O-N 2.98Å; L56-T59 PolarHBondContact O-OG1 3.25Å; L56-Y63 HydrophobicContact CB-CD2 4.02Å; L56-V66 HydrophobicContact CD1-CB 3.86Å; L56-V66 HydrophobicContact CD1-CG1 3.43Å; L56-V66 VanDerWaalsContact CD1-CG1 3.43Å; L56-V66 HydrophobicContact CD1-CG2 4.02Å; L56-F148 HydrophobicContact CD2-CD1 4.27Å
57	K	74.7	Confident	77.1	Confident	105 Å²	105	75.7 Å²	75.7	46%	0.457	37%	0.373	S	S	.	.	H	α-helix	trans	-56	-32.6	174.9	-70.7	175.2	-171	151.5	0	112.3	T53 D54 T59 Y63	T53-K57 PolarHBondContact O-N 3.16Å; T53-K57 VanDerWaalsContact O-N 3.1Å; D54-K57 PolarHBondContact O-N 3.45Å; D54-K57 IonicContact OD1-NZ 2.73Å; D54-K57 PolarHBondContact OD1-NZ 3.33Å; K57-T59 PolarHBondContact O-N 3.48Å; K57-Y63 HydrophobicContact CB-CD2 4.16Å; K57-Y63 HydrophobicContact CB-CE2 4.34Å; K57-Y63 HydrophobicContact CD-CE2 3.98Å; K57-Y63 VanDerWaalsContact CE-CZ 3.4Å; K57-Y63 WeakPolarHBondContact CE-OH 3.28Å; K57-Y63 HydrophobicContact CG-CD1 4.33Å; K57-Y63 HydrophobicContact CG-CD2 3.36Å; K57-Y63 HydrophobicContact CG-CE1 4.19Å; K57-Y63 HydrophobicContact CG-CE2 3.13Å; K57-Y63 HydrophobicContact CG-CG 3.97Å
58	E	72.8	Confident	76.9	Confident	175 Å²	175	72.7 Å²	72.7	82%	0.818	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.7	177.6	-59.8	-173.5	166.3	0	0	113	Q55 L56	Q55-E58 PolarHBondContact O-N 3.49Å; L56-E58 PolarHBondContact O-N 2.96Å; L56-E58 VanDerWaalsContact O-N 3.16Å
59	T	68.4	Low	76.6	Confident	75 Å²	75	69.9 Å²	69.9	46%	0.46	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-7.8	-176.7	64.4	0	0	0	0	114.8	L56 K57 F148	L56-T59 PolarHBondContact O-N 2.98Å; L56-T59 PolarHBondContact O-OG1 3.25Å; K57-T59 PolarHBondContact O-N 3.48Å; T59-F148 HydrophobicContact CG2-CE1 4.44Å
60	G	67.2	Low	76.5	Confident	39 Å²	39	70.2 Å²	70.2	40%	0.402	35%	0.354	S	S	.	.			trans	87.7	-128.3	173.5	0	0	0	0	0	114.2	E62 Y63	G60-E62 PolarHBondContact O-N 3.31Å; G60-Y63 WeakPolarHBondContact O-CB 3.49Å; G60-Y63 PolarHBondContact O-N 3.48Å
61	D	65.3	Low	76.5	Confident	149 Å²	149	71.2 Å²	71.2	80%	0.797	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.1	-164.2	-65.9	-19.3	0	0	0	114.7	Y63	D61-Y63 PolarHBondContact O-N 2.95Å
62	E	68.5	Low	76.5	Confident	42 Å²	42	68.1 Å²	68.1	20%	0.196	34%	0.342	C	S	.	.	H	α-helix	trans	-73.5	-19.1	-178.8	-51.6	-153	-160	0	0	112.5	G60 E64 V66 F148	G60-E62 PolarHBondContact O-N 3.31Å; E62-E64 PolarHBondContact O-N 3.08Å; E62-V66 WeakPolarHBondContact O-CG2 3.41Å; E62-V66 PolarHBondContact O-N 2.95Å; E62-V66 VanDerWaalsContact O-N 3.16Å; E62-F148 HydrophobicContact CB-CD1 3.85Å; E62-F148 HydrophobicContact CB-CE1 3.92Å; E62-F148 HydrophobicContact CB-CG 4.45Å; E62-F148 HydrophobicContact CG-CD1 4.17Å; E62-F148 HydrophobicContact CG-CE1 3.81Å; E62-F148 HydrophobicContact CG-CZ 4.04Å; E62-F148 WeakPolarHBondContact OE1-CE1 3.38Å; E62-F148 WeakPolarHBondContact OE1-CE2 3.42Å; E62-F148 WeakPolarHBondContact OE1-CZ 3.12Å; E62-F148 WeakPolarHBondContact OE2-CD1 3.22Å; E62-F148 WeakPolarHBondContact OE2-CD2 3.13Å; E62-F148 WeakPolarHBondContact OE2-CE1 3.18Å; E62-F148 WeakPolarHBondContact OE2-CE2 3.48Å; E62-F148 WeakPolarHBondContact OE2-CG 3.48Å; E62-F148 WeakPolarHBondContact OE2-CZ 3.22Å
63	Y	71.8	Confident	76.7	Confident	58 Å²	58	67.4 Å²	67.4	23%	0.227	34%	0.34	C	S	.	.	H	α-helix	trans	-59.5	-45.2	176.1	176.5	-98.1	0	0	0	112.7	T53 L56 K57 G60 D61 Q65 V66 D67	T53-Y63 HydrophobicContact CG2-CE2 3.57Å; T53-Y63 WeakPolarHBondContact O-CE2 3.32Å; L56-Y63 HydrophobicContact CB-CD2 4.02Å; K57-Y63 HydrophobicContact CB-CD2 4.16Å; K57-Y63 HydrophobicContact CB-CE2 4.34Å; K57-Y63 HydrophobicContact CD-CE2 3.98Å; K57-Y63 VanDerWaalsContact CE-CZ 3.4Å; K57-Y63 WeakPolarHBondContact CE-OH 3.28Å; K57-Y63 HydrophobicContact CG-CD1 4.33Å; K57-Y63 HydrophobicContact CG-CD2 3.36Å; K57-Y63 HydrophobicContact CG-CE1 4.19Å; K57-Y63 HydrophobicContact CG-CE2 3.13Å; K57-Y63 HydrophobicContact CG-CG 3.97Å; G60-Y63 WeakPolarHBondContact O-CB 3.49Å; G60-Y63 PolarHBondContact O-N 3.48Å; D61-Y63 PolarHBondContact O-N 2.95Å; Y63-Q65 VanDerWaalsContact C-N 3.33Å; Y63-Q65 PolarHBondContact O-N 3.08Å; Y63-V66 PolarHBondContact O-N 3.47Å; Y63-D67 HydrophobicContact CE1-CB 4.29Å; Y63-D67 WeakPolarHBondContact O-CB 3.29Å; Y63-D67 PolarHBondContact O-N 3.33Å; Y63-D67 PolarHBondContact OH-OD1 3.21Å
64	E	77.6	Confident	77	Confident	145 Å²	145	68.3 Å²	68.3	68%	0.678	34%	0.344	S	S	*	.	H	α-helix	trans	-65.6	-39.4	-174.4	-172.2	173.8	-169.6	0	0	111.3	E62 D67 E68	E62-E64 PolarHBondContact O-N 3.08Å; E64-D67 PolarHBondContact O-N 3.37Å; E64-E68 PolarHBondContact O-N 3.07Å; E64-E68 VanDerWaalsContact O-N 3.09Å
65	Q	76.5	Confident	77	Confident	93 Å²	93	68.4 Å²	68.4	44%	0.435	34%	0.341	S	S	.	.	H	α-helix	trans	-66.4	-43.3	176.1	-67.1	-176.3	17.2	0	0	111.5	Y63 D67 E68 Y69 F136 P138	Y63-Q65 VanDerWaalsContact C-N 3.33Å; Y63-Q65 PolarHBondContact O-N 3.08Å; Q65-D67 PolarHBondContact O-N 3.46Å; Q65-E68 PolarHBondContact O-N 3.24Å; Q65-Y69 WeakPolarHBondContact O-CB 3.2Å; Q65-Y69 PolarHBondContact O-N 3.34Å; Q65-F136 CarbonylContact C-O 3.46Å; Q65-F136 WeakPolarHBondContact CB-O 3.49Å; Q65-P138 HydrophobicContact CB-CG 4.1Å
66	V	74.6	Confident	77.3	Confident	8 Å²	8	64.1 Å²	64.1	5%	0.048	32%	0.32	C	S	.	.	H	α-helix	trans	-68	-35	176.9	178.7	0	0	0	0	112.1	L56 E62 Y63 Y69 I70 P138 L154	L56-V66 HydrophobicContact CD1-CB 3.86Å; L56-V66 HydrophobicContact CD1-CG1 3.43Å; L56-V66 VanDerWaalsContact CD1-CG1 3.43Å; L56-V66 HydrophobicContact CD1-CG2 4.02Å; E62-V66 WeakPolarHBondContact O-CG2 3.41Å; E62-V66 PolarHBondContact O-N 2.95Å; E62-V66 VanDerWaalsContact O-N 3.16Å; Y63-V66 PolarHBondContact O-N 3.47Å; V66-Y69 WeakPolarHBondContact O-CB 3.41Å; V66-Y69 PolarHBondContact O-N 3.35Å; V66-I70 HydrophobicContact CG1-CD1 3.93Å; V66-I70 HydrophobicContact CG1-CG1 4.28Å; V66-I70 VanDerWaalsContact O-CG1 3.24Å; V66-I70 WeakPolarHBondContact O-CG1 3.36Å; V66-I70 PolarHBondContact O-N 3.1Å; V66-P138 HydrophobicContact CG2-CG 4.33Å; V66-L154 HydrophobicContact CG1-CD2 3.85Å
67	D	79.7	Confident	77.9	Confident	65 Å²	65	64.5 Å²	64.5	35%	0.348	32%	0.322	S	S	.	.	H	α-helix	trans	-62.6	-45.6	175	-165.4	73.1	0	0	0	111.3	Y63 E64 Q65 Y69 I70 K71	Y63-D67 HydrophobicContact CE1-CB 4.29Å; Y63-D67 WeakPolarHBondContact O-CB 3.29Å; Y63-D67 PolarHBondContact O-N 3.33Å; Y63-D67 PolarHBondContact OH-OD1 3.21Å; E64-D67 PolarHBondContact O-N 3.37Å; Q65-D67 PolarHBondContact O-N 3.46Å; D67-Y69 VanDerWaalsContact C-N 3.34Å; D67-Y69 PolarHBondContact O-N 2.81Å; D67-I70 PolarHBondContact O-N 2.86Å; D67-K71 WeakPolarHBondContact O-CB 3.4Å; D67-K71 PolarHBondContact O-N 3.4Å
68	E	83.6	Confident	78.2	Confident	71 Å²	71	63 Å²	63	33%	0.332	32%	0.317	S	S	.	.	H	α-helix	trans	-64.3	-37.3	173.5	-72.7	-65.1	168.3	0	0	112	E64 Q65 K71 C72 F136	E64-E68 PolarHBondContact O-N 3.07Å; E64-E68 VanDerWaalsContact O-N 3.09Å; Q65-E68 PolarHBondContact O-N 3.24Å; E68-K71 PolarHBondContact O-N 2.93Å; E68-K71 IonicContact OE2-NZ 2.65Å; E68-C72 WeakPolarHBondContact O-CB 3.43Å; E68-C72 PolarHBondContact O-N 3.15Å; E68-F136 HydrophobicContact CB-CB 4.35Å; E68-F136 HydrophobicContact CB-CD1 3.67Å; E68-F136 HydrophobicContact CB-CE1 4.08Å; E68-F136 HydrophobicContact CB-CG 3.95Å
69	Y	83.2	Confident	78.7	Confident	13 Å²	13	55.7 Å²	55.7	5%	0.051	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-48.3	172.6	178.9	-105.7	0	0	0	112.4	Q65 V66 D67 K71 C72 S73 C133 L134 F136 I137 I151 L154 N155	Q65-Y69 WeakPolarHBondContact O-CB 3.2Å; Q65-Y69 PolarHBondContact O-N 3.34Å; V66-Y69 WeakPolarHBondContact O-CB 3.41Å; V66-Y69 PolarHBondContact O-N 3.35Å; D67-Y69 VanDerWaalsContact C-N 3.34Å; D67-Y69 PolarHBondContact O-N 2.81Å; Y69-K71 VanDerWaalsContact C-N 3.32Å; Y69-K71 PolarHBondContact O-N 2.81Å; Y69-C72 PolarHBondContact O-N 3.38Å; Y69-S73 VanDerWaalsContact O-CB 3.27Å; Y69-S73 WeakPolarHBondContact O-CB 2.81Å; Y69-S73 PolarHBondContact O-N 2.92Å; Y69-S73 PolarHBondContact O-OG 3.32Å; Y69-C133 WeakPolarHBondContact CD2-O 3.26Å; Y69-C133 HydrophobicContact CE2-CB 4.33Å; Y69-L134 HydrophobicContact CE2-CD2 4.43Å; Y69-F136 HydrophobicContact CD2-CB 4.46Å; Y69-I137 HydrophobicContact CD2-CD1 4.33Å; Y69-I137 HydrophobicContact CD2-CG1 3.7Å; Y69-I137 HydrophobicContact CE2-CD1 3.81Å; Y69-I137 HydrophobicContact CE2-CG1 3.71Å; Y69-I137 HydrophobicContact CG-CG1 4.32Å; Y69-I151 HydrophobicContact CE1-CG2 4.36Å; Y69-L154 HydrophobicContact CD1-CD2 4.42Å; Y69-N155 WeakPolarHBondContact CE1-OD1 3.29Å; Y69-N155 VanDerWaalsContact OH-CG 3.22Å; Y69-N155 PolarHBondContact OH-ND2 3.49Å; Y69-N155 PolarHBondContact OH-OD1 2.97Å
70	I	80	Confident	79.5	Confident	15 Å²	15	55.5 Å²	55.5	8%	0.077	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-44.9	178.6	-70.1	165.3	0	0	0	109.9	V66 D67 N74 L154 I158	V66-I70 HydrophobicContact CG1-CD1 3.93Å; V66-I70 HydrophobicContact CG1-CG1 4.28Å; V66-I70 VanDerWaalsContact O-CG1 3.24Å; V66-I70 WeakPolarHBondContact O-CG1 3.36Å; V66-I70 PolarHBondContact O-N 3.1Å; D67-I70 PolarHBondContact O-N 2.86Å; I70-N74 WeakPolarHBondContact O-CB 3.41Å; I70-N74 VanDerWaalsContact O-CG 3.28Å; I70-N74 PolarHBondContact O-N 2.88Å; I70-N74 PolarHBondContact O-ND2 2.94Å; I70-N74 VanDerWaalsContact O-ND2 3.12Å; I70-L154 HydrophobicContact CD1-CD1 4.25Å; I70-L154 HydrophobicContact CD1-CD2 4Å; I70-L154 HydrophobicContact CG1-CD1 4.34Å; I70-L154 HydrophobicContact CG1-CD2 3.8Å; I70-L154 HydrophobicContact CG1-CG 4.45Å; I70-I158 HydrophobicContact CB-CD1 4.48Å; I70-I158 HydrophobicContact CG1-CD1 4.15Å; I70-I158 HydrophobicContact CG2-CD1 4.39Å
71	K	85.2	Confident	80.4	Confident	101 Å²	101	54.5 Å²	54.5	44%	0.439	26%	0.263	S	S	.	.	H	α-helix	trans	-64.2	-49	179.8	-175.4	-178	168.8	-160.6	0	112	D67 E68 Y69 S73 N74 E75	D67-K71 WeakPolarHBondContact O-CB 3.4Å; D67-K71 PolarHBondContact O-N 3.4Å; E68-K71 PolarHBondContact O-N 2.93Å; E68-K71 IonicContact OE2-NZ 2.65Å; Y69-K71 VanDerWaalsContact C-N 3.32Å; Y69-K71 PolarHBondContact O-N 2.81Å; K71-S73 PolarHBondContact O-N 3.12Å; K71-N74 WeakPolarHBondContact O-CB 3.37Å; K71-N74 PolarHBondContact O-N 3.26Å; K71-E75 WeakPolarHBondContact O-CG 3.27Å; K71-E75 PolarHBondContact O-N 3.4Å
72	C	85.8	Confident	81.2	Confident	18 Å²	18	52.3 Å²	52.3	12%	0.122	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-48	176.4	-177	0	0	0	0	111.4	E68 Y69 N74 E75 R76 C133 F136	E68-C72 WeakPolarHBondContact O-CB 3.43Å; E68-C72 PolarHBondContact O-N 3.15Å; Y69-C72 PolarHBondContact O-N 3.38Å; C72-N74 VanDerWaalsContact C-N 3.29Å; C72-N74 PolarHBondContact O-N 2.71Å; C72-E75 PolarHBondContact O-N 2.73Å; C72-R76 WeakPolarHBondContact O-CB 3.4Å; C72-R76 PolarHBondContact O-N 2.76Å; C72-C133 HydrophobicContact CB-CB 3.81Å; C72-C133 WeakPolarHBondContact CB-SG 3.22Å; C72-C133 PolarHBondContact O-SG 3.02Å; C72-C133 VanDerWaalsContact O-SG 3.41Å; C72-C133 WeakPolarHBondContact SG-CA 3.07Å; C72-C133 WeakPolarHBondContact SG-CB 3.23Å; C72-C133 CovalentContact SG-SG 2.06Å; C72-C133 PolarHBondContact SG-SG 3.35Å; C72-F136 HydrophobicContact CB-CD2 3.95Å; C72-F136 HydrophobicContact CB-CE2 3.9Å
73	S	84.2	Confident	82.1	Confident	8 Å²	8	52.3 Å²	52.3	6%	0.056	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-39.9	-179.1	-62.4	0	0	0	0	111.6	Y69 K71 L77	Y69-S73 VanDerWaalsContact O-CB 3.27Å; Y69-S73 WeakPolarHBondContact O-CB 2.81Å; Y69-S73 PolarHBondContact O-N 2.92Å; Y69-S73 PolarHBondContact O-OG 3.32Å; K71-S73 PolarHBondContact O-N 3.12Å; S73-L77 VanDerWaalsContact O-CB 3.26Å; S73-L77 WeakPolarHBondContact O-CB 3.32Å; S73-L77 VanDerWaalsContact O-CG 3.25Å; S73-L77 WeakPolarHBondContact O-CG 3.31Å; S73-L77 PolarHBondContact O-N 3.49Å
74	N	83.6	Confident	82.9	Confident	37 Å²	37	54.6 Å²	54.6	20%	0.198	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-50.3	174.2	-83.6	-34.3	0	0	0	113.1	I70 K71 C72 R76 L77 E78 R161	I70-N74 WeakPolarHBondContact O-CB 3.41Å; I70-N74 VanDerWaalsContact O-CG 3.28Å; I70-N74 PolarHBondContact O-N 2.88Å; I70-N74 PolarHBondContact O-ND2 2.94Å; I70-N74 VanDerWaalsContact O-ND2 3.12Å; K71-N74 WeakPolarHBondContact O-CB 3.37Å; K71-N74 PolarHBondContact O-N 3.26Å; C72-N74 VanDerWaalsContact C-N 3.29Å; C72-N74 PolarHBondContact O-N 2.71Å; N74-R76 VanDerWaalsContact C-N 3.33Å; N74-R76 PolarHBondContact O-N 2.97Å; N74-L77 PolarHBondContact O-N 3.18Å; N74-E78 VanDerWaalsContact O-CB 3.24Å; N74-E78 WeakPolarHBondContact O-CB 3.48Å; N74-E78 PolarHBondContact O-N 3.38Å; N74-R161 PolarHBondContact ND2-NH2 2.91Å; N74-R161 PolarHBondContact OD1-NH2 2.97Å
75	E	83	Confident	83.3	Confident	82 Å²	82	48.3 Å²	48.3	38%	0.383	23%	0.227	S	C	.	.	H	α-helix	trans	-60.1	-46.2	-179.6	-71.4	179.8	-171.3	0	0	110.7	K71 C72 E78 V79 Y128	K71-E75 WeakPolarHBondContact O-CG 3.27Å; K71-E75 PolarHBondContact O-N 3.4Å; C72-E75 PolarHBondContact O-N 2.73Å; E75-E78 PolarHBondContact O-N 3.06Å; E75-V79 WeakPolarHBondContact O-CG2 3.26Å; E75-V79 PolarHBondContact O-N 2.97Å; E75-V79 VanDerWaalsContact O-N 3.08Å; E75-Y128 HydrophobicContact CB-CE1 4.38Å
76	R	84.8	Confident	83.7	Confident	37 Å²	37	44.5 Å²	44.5	14%	0.14	21%	0.209	C	C	.	.	H	α-helix	trans	-57.8	-53.4	176.8	-174.8	-176.4	92	119.3	-6.7	111.8	C72 N74 E78 V79 Q80 E130	C72-R76 WeakPolarHBondContact O-CB 3.4Å; C72-R76 PolarHBondContact O-N 2.76Å; N74-R76 VanDerWaalsContact C-N 3.33Å; N74-R76 PolarHBondContact O-N 2.97Å; R76-E78 VanDerWaalsContact C-N 3.3Å; R76-E78 PolarHBondContact O-N 3.02Å; R76-V79 PolarHBondContact O-N 3.08Å; R76-Q80 WeakPolarHBondContact O-CG 3.47Å; R76-Q80 PolarHBondContact O-N 3.11Å; R76-Q80 VanDerWaalsContact O-N 3.08Å; R76-E130 IonicContact CZ-OE2 2.73Å; R76-E130 VanDerWaalsContact CZ-OE2 3.25Å; R76-E130 IonicContact NH1-OE2 3.55Å; R76-E130 PolarHBondContact NH1-OE2 3.07Å; R76-E130 VanDerWaalsContact NH2-CD 3.3Å; R76-E130 IonicContact NH2-OE1 3.01Å; R76-E130 IonicContact NH2-OE2 2.64Å; R76-E130 PolarHBondContact NH2-OE2 3.26Å
77	L	84.4	Confident	84.4	Confident	18 Å²	18	46.8 Å²	46.8	9%	0.094	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-32.8	-177.6	-75	171.1	0	0	0	112.1	S73 N74 Q80 N81 I158 D159 I162	S73-L77 VanDerWaalsContact O-CB 3.26Å; S73-L77 WeakPolarHBondContact O-CB 3.32Å; S73-L77 VanDerWaalsContact O-CG 3.25Å; S73-L77 WeakPolarHBondContact O-CG 3.31Å; S73-L77 PolarHBondContact O-N 3.49Å; N74-L77 PolarHBondContact O-N 3.18Å; L77-Q80 PolarHBondContact O-N 2.94Å; L77-N81 VanDerWaalsContact O-CB 3.25Å; L77-N81 WeakPolarHBondContact O-CB 3.49Å; L77-N81 PolarHBondContact O-N 3.43Å; L77-I158 HydrophobicContact CD1-CG2 3.61Å; L77-D159 WeakPolarHBondContact CD1-OD1 3.44Å; L77-I162 HydrophobicContact CB-CB 4.41Å; L77-I162 HydrophobicContact CB-CD1 4.25Å; L77-I162 HydrophobicContact CB-CG1 3.87Å; L77-I162 HydrophobicContact CB-CG2 3.81Å; L77-I162 HydrophobicContact CD1-CG1 4.07Å
78	E	83	Confident	84.9	Confident	75 Å²	75	45.6 Å²	45.6	35%	0.35	22%	0.216	S	C	.	.	H	α-helix	trans	-63.9	-45.5	174.6	-169.6	-175.3	165.6	0	0	111.3	N74 E75 R76 Q80 N81 R82	N74-E78 VanDerWaalsContact O-CB 3.24Å; N74-E78 WeakPolarHBondContact O-CB 3.48Å; N74-E78 PolarHBondContact O-N 3.38Å; E75-E78 PolarHBondContact O-N 3.06Å; R76-E78 VanDerWaalsContact C-N 3.3Å; R76-E78 PolarHBondContact O-N 3.02Å; E78-Q80 PolarHBondContact O-N 3.19Å; E78-N81 WeakPolarHBondContact O-CB 3.45Å; E78-N81 PolarHBondContact O-N 3.22Å; E78-R82 VanDerWaalsContact O-CG 3.3Å; E78-R82 WeakPolarHBondContact O-CG 3.34Å; E78-R82 PolarHBondContact O-N 3.26Å; E78-R82 IonicContact OE1-CZ 2.81Å; E78-R82 VanDerWaalsContact OE1-CZ 3.29Å; E78-R82 IonicContact OE1-NE 3.94Å; E78-R82 PolarHBondContact OE1-NE 2.98Å; E78-R82 IonicContact OE1-NH2 3.83Å; E78-R82 PolarHBondContact OE1-NH2 2.84Å
79	V	83	Confident	85.1	Confident	21 Å²	21	42.7 Å²	42.7	13%	0.127	20%	0.202	C	C	.	.	H	α-helix	trans	-61.5	-45.1	176.6	176.3	0	0	0	0	110.7	E75 R76 N81 R82 L83 I121 M124 I125 Y128	E75-V79 WeakPolarHBondContact O-CG2 3.26Å; E75-V79 PolarHBondContact O-N 2.97Å; E75-V79 VanDerWaalsContact O-N 3.08Å; R76-V79 PolarHBondContact O-N 3.08Å; V79-N81 PolarHBondContact O-N 3.34Å; V79-R82 PolarHBondContact O-N 3.5Å; V79-L83 PolarHBondContact O-N 2.87Å; V79-L83 VanDerWaalsContact O-N 3.13Å; V79-I121 HydrophobicContact CG1-CG2 4.01Å; V79-M124 HydrophobicContact CG1-CB 4.43Å; V79-I125 HydrophobicContact CG1-CG1 3.61Å; V79-Y128 HydrophobicContact CG2-CD2 4.42Å; V79-Y128 HydrophobicContact CG2-CE2 4.33Å
80	Q	85	Confident	85.4	Confident	70 Å²	70	42.6 Å²	42.6	33%	0.327	20%	0.203	S	C	.	.	H	α-helix	trans	-61.4	-42.8	175.6	-70.5	-179.6	-8.4	0	0	112.2	R76 L77 E78 R82 L83 K84	R76-Q80 WeakPolarHBondContact O-CG 3.47Å; R76-Q80 PolarHBondContact O-N 3.11Å; R76-Q80 VanDerWaalsContact O-N 3.08Å; L77-Q80 PolarHBondContact O-N 2.94Å; E78-Q80 PolarHBondContact O-N 3.19Å; Q80-R82 PolarHBondContact O-N 3.29Å; Q80-L83 WeakPolarHBondContact O-CB 3.48Å; Q80-L83 PolarHBondContact O-N 3.25Å; Q80-K84 PolarHBondContact O-N 3.38Å
81	N	85.5	Confident	86	Confident	19 Å²	19	45.4 Å²	45.4	10%	0.102	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-42.5	175.6	-98.5	-0.3	0	0	0	112.3	L77 E78 V79 L83 K84 L85 I162	L77-N81 VanDerWaalsContact O-CB 3.25Å; L77-N81 WeakPolarHBondContact O-CB 3.49Å; L77-N81 PolarHBondContact O-N 3.43Å; E78-N81 WeakPolarHBondContact O-CB 3.45Å; E78-N81 PolarHBondContact O-N 3.22Å; V79-N81 PolarHBondContact O-N 3.34Å; N81-L83 VanDerWaalsContact C-N 3.34Å; N81-L83 PolarHBondContact O-N 3.45Å; N81-K84 PolarHBondContact O-N 3.04Å; N81-L85 WeakPolarHBondContact O-CB 3.4Å; N81-L85 VanDerWaalsContact O-CG 3.3Å; N81-L85 WeakPolarHBondContact O-CG 3.31Å; N81-L85 PolarHBondContact O-N 2.94Å; N81-I162 VanDerWaalsContact CG-CG2 3.45Å; N81-I162 WeakPolarHBondContact ND2-CG2 3.43Å; N81-I162 PolarHBondContact ND2-O 3.48Å
82	R	82.1	Confident	86.2	Confident	103 Å²	103	41 Å²	41	39%	0.389	20%	0.2	S	C	.	.	H	α-helix	trans	-61.4	-43.2	177.6	-71.8	172.4	-179	-165.2	3.6	111.2	E78 V79 Q80 K84 L85 L86 I121	E78-R82 VanDerWaalsContact O-CG 3.3Å; E78-R82 WeakPolarHBondContact O-CG 3.34Å; E78-R82 PolarHBondContact O-N 3.26Å; E78-R82 IonicContact OE1-CZ 2.81Å; E78-R82 VanDerWaalsContact OE1-CZ 3.29Å; E78-R82 IonicContact OE1-NE 3.94Å; E78-R82 PolarHBondContact OE1-NE 2.98Å; E78-R82 IonicContact OE1-NH2 3.83Å; E78-R82 PolarHBondContact OE1-NH2 2.84Å; V79-R82 PolarHBondContact O-N 3.5Å; Q80-R82 PolarHBondContact O-N 3.29Å; R82-K84 PolarHBondContact O-N 2.89Å; R82-L85 PolarHBondContact O-N 2.95Å; R82-L86 WeakPolarHBondContact O-CG 3.38Å; R82-L86 PolarHBondContact O-N 3.37Å; R82-I121 HydrophobicContact CB-CD1 3.76Å
83	L	86.5	Confident	86.3	Confident	41 Å²	41	40.3 Å²	40.3	22%	0.215	20%	0.195	C	C	.	.	H	α-helix	trans	-56.9	-51.5	173.4	177.6	68.6	0	0	0	110.8	V79 Q80 N81 L85 L86 T87 L118 I121 E122 I125	V79-L83 PolarHBondContact O-N 2.87Å; V79-L83 VanDerWaalsContact O-N 3.13Å; Q80-L83 WeakPolarHBondContact O-CB 3.48Å; Q80-L83 PolarHBondContact O-N 3.25Å; N81-L83 VanDerWaalsContact C-N 3.34Å; N81-L83 PolarHBondContact O-N 3.45Å; L83-L85 VanDerWaalsContact C-N 3.31Å; L83-L85 PolarHBondContact O-N 2.96Å; L83-L86 PolarHBondContact O-N 3.44Å; L83-T87 PolarHBondContact O-N 3.11Å; L83-T87 PolarHBondContact O-OG1 3.38Å; L83-L118 HydrophobicContact CD1-CD1 4.14Å; L83-L118 HydrophobicContact CD1-CG 3.8Å; L83-I121 HydrophobicContact CB-CG2 3.9Å; L83-E122 HydrophobicContact CD1-CG 3.62Å; L83-I125 HydrophobicContact CB-CD1 3.79Å; L83-I125 HydrophobicContact CD2-CD1 3.31Å; L83-I125 HydrophobicContact CG-CD1 4.04Å
84	K	88.7	Confident	86.6	Confident	106 Å²	106	44.6 Å²	44.6	46%	0.461	21%	0.214	S	C	.	.	H	α-helix	trans	-60.6	-40.5	-179.4	-164.6	-177.4	178.8	-178.5	0	112	Q80 N81 R82 E88 Y166	Q80-K84 PolarHBondContact O-N 3.38Å; N81-K84 PolarHBondContact O-N 3.04Å; R82-K84 PolarHBondContact O-N 2.89Å; K84-E88 WeakPolarHBondContact O-CB 3.24Å; K84-E88 VanDerWaalsContact O-CG 3.25Å; K84-E88 WeakPolarHBondContact O-CG 3.46Å; K84-E88 PolarHBondContact O-N 3.32Å; K84-Y166 HydrophobicContact CB-CD2 4.36Å; K84-Y166 HydrophobicContact CB-CE2 4.03Å; K84-Y166 HydrophobicContact CD-CD2 3.98Å; K84-Y166 HydrophobicContact CD-CE1 4.49Å; K84-Y166 HydrophobicContact CD-CE2 3.55Å; K84-Y166 WeakPolarHBondContact CE-OH 3.37Å; K84-Y166 HydrophobicContact CG-CD2 4.24Å; K84-Y166 HydrophobicContact CG-CE2 3.55Å
85	L	87.3	Confident	87.1	Confident	13 Å²	13	45.9 Å²	45.9	7%	0.068	23%	0.226	C	C	.	.	H	α-helix	trans	-63.7	-45.5	177.8	-78.1	172.4	0	0	0	112.2	N81 R82 L83 T87 E88 F89 Y166 N169 R170	N81-L85 WeakPolarHBondContact O-CB 3.4Å; N81-L85 VanDerWaalsContact O-CG 3.3Å; N81-L85 WeakPolarHBondContact O-CG 3.31Å; N81-L85 PolarHBondContact O-N 2.94Å; R82-L85 PolarHBondContact O-N 2.95Å; L83-L85 VanDerWaalsContact C-N 3.31Å; L83-L85 PolarHBondContact O-N 2.96Å; L85-T87 VanDerWaalsContact C-N 3.35Å; L85-T87 PolarHBondContact O-N 2.94Å; L85-E88 PolarHBondContact O-N 2.73Å; L85-F89 HydrophobicContact CB-CE1 4.41Å; L85-F89 HydrophobicContact CB-CE2 4.45Å; L85-F89 HydrophobicContact CB-CZ 4.18Å; L85-F89 HydrophobicContact CD2-CE1 3.97Å; L85-F89 HydrophobicContact CD2-CZ 4.14Å; L85-F89 WeakPolarHBondContact O-CB 3.2Å; L85-F89 VanDerWaalsContact O-CD1 3.27Å; L85-F89 WeakPolarHBondContact O-CD1 3.21Å; L85-F89 WeakPolarHBondContact O-CG 3.32Å; L85-F89 PolarHBondContact O-N 3Å; L85-Y166 HydrophobicContact CD2-CD2 3.55Å; L85-Y166 HydrophobicContact CD2-CE2 3.88Å; L85-Y166 HydrophobicContact CD2-CG 4.35Å; L85-Y166 WeakPolarHBondContact CD2-O 3.5Å; L85-Y166 HydrophobicContact CG-CD2 3.76Å; L85-Y166 HydrophobicContact CG-CE2 4.25Å; L85-N169 HydrophobicContact CD1-CB 3.88Å; L85-N169 HydrophobicContact CD2-CB 3.76Å; L85-R170 HydrophobicContact CD2-CB 4.31Å
86	L	84.5	Confident	87.5	Confident	13 Å²	13	42.4 Å²	42.4	7%	0.068	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-44.4	-179.6	-70.9	178.9	0	0	0	111.7	R82 L83 E88 F89 V90 F114 E117 L118 I121	R82-L86 WeakPolarHBondContact O-CG 3.38Å; R82-L86 PolarHBondContact O-N 3.37Å; L83-L86 PolarHBondContact O-N 3.44Å; L86-E88 VanDerWaalsContact C-N 3.34Å; L86-E88 PolarHBondContact O-N 2.99Å; L86-F89 PolarHBondContact O-N 3.5Å; L86-V90 PolarHBondContact O-N 2.64Å; L86-F114 HydrophobicContact CD2-CB 4.19Å; L86-F114 HydrophobicContact CD2-CD1 3.8Å; L86-F114 HydrophobicContact CD2-CG 4.2Å; L86-E117 HydrophobicContact CD1-CB 3.67Å; L86-L118 HydrophobicContact CB-CD1 4.46Å; L86-L118 HydrophobicContact CD1-CB 4.33Å; L86-I121 HydrophobicContact CD1-CD1 3.59Å; L86-I121 HydrophobicContact CD1-CG1 4.46Å
87	T	89.1	Confident	87.7	Confident	56 Å²	56	41.5 Å²	41.5	34%	0.344	21%	0.207	S	C	.	.	H	α-helix	trans	-58.8	-46.7	174.3	-57.1	0	0	0	0	111.2	L83 L85 F89 V90 N91 L118	L83-T87 PolarHBondContact O-N 3.11Å; L83-T87 PolarHBondContact O-OG1 3.38Å; L85-T87 VanDerWaalsContact C-N 3.35Å; L85-T87 PolarHBondContact O-N 2.94Å; T87-F89 VanDerWaalsContact C-N 3.35Å; T87-F89 PolarHBondContact O-N 2.73Å; T87-V90 PolarHBondContact O-N 3.21Å; T87-N91 VanDerWaalsContact O-CG 3.32Å; T87-N91 PolarHBondContact O-N 3.42Å; T87-N91 PolarHBondContact O-ND2 3.45Å; T87-L118 VanDerWaalsContact OG1-CD1 3.24Å; T87-L118 WeakPolarHBondContact OG1-CD1 3.49Å
88	E	90.9	Very high	88.1	Confident	41 Å²	41	48.1 Å²	48.1	19%	0.192	24%	0.237	C	C	.	.	H	α-helix	trans	-67	-33.3	179.4	-74.6	-73	143.6	0	0	113.2	K84 L85 L86 N91 T92 Y166 R170	K84-E88 WeakPolarHBondContact O-CB 3.24Å; K84-E88 VanDerWaalsContact O-CG 3.25Å; K84-E88 WeakPolarHBondContact O-CG 3.46Å; K84-E88 PolarHBondContact O-N 3.32Å; L85-E88 PolarHBondContact O-N 2.73Å; L86-E88 VanDerWaalsContact C-N 3.34Å; L86-E88 PolarHBondContact O-N 2.99Å; E88-N91 PolarHBondContact O-N 3.06Å; E88-T92 VanDerWaalsContact O-CB 3.24Å; E88-T92 WeakPolarHBondContact O-CB 3.37Å; E88-T92 PolarHBondContact O-N 2.86Å; E88-T92 PolarHBondContact O-OG1 3.35Å; E88-Y166 HydrophobicContact CG-CE2 4.3Å; E88-Y166 VanDerWaalsContact CG-OH 3.3Å; E88-Y166 WeakPolarHBondContact CG-OH 3.44Å; E88-R170 IonicContact OE2-CZ 2.71Å; E88-R170 VanDerWaalsContact OE2-CZ 3.31Å; E88-R170 IonicContact OE2-NE 3.38Å; E88-R170 PolarHBondContact OE2-NE 3.26Å; E88-R170 IonicContact OE2-NH2 3.71Å; E88-R170 PolarHBondContact OE2-NH2 2.92Å
89	F	88.2	Confident	88.5	Confident	9 Å²	9	48.5 Å²	48.5	4%	0.039	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-41	175.8	-68.6	-9	0	0	0	111.5	L85 L86 T87 T92 I93 F114 F173 T286	L85-F89 HydrophobicContact CB-CE1 4.41Å; L85-F89 HydrophobicContact CB-CE2 4.45Å; L85-F89 HydrophobicContact CB-CZ 4.18Å; L85-F89 HydrophobicContact CD2-CE1 3.97Å; L85-F89 HydrophobicContact CD2-CZ 4.14Å; L85-F89 WeakPolarHBondContact O-CB 3.2Å; L85-F89 VanDerWaalsContact O-CD1 3.27Å; L85-F89 WeakPolarHBondContact O-CD1 3.21Å; L85-F89 WeakPolarHBondContact O-CG 3.32Å; L85-F89 PolarHBondContact O-N 3Å; L86-F89 PolarHBondContact O-N 3.5Å; T87-F89 VanDerWaalsContact C-N 3.35Å; T87-F89 PolarHBondContact O-N 2.73Å; F89-T92 PolarHBondContact O-N 3.46Å; F89-I93 WeakPolarHBondContact O-CG1 3.34Å; F89-I93 PolarHBondContact O-N 3.48Å; F89-F114 HydrophobicContact CB-CD2 3.82Å; F89-F114 HydrophobicContact CB-CE2 3.66Å; F89-F114 HydrophobicContact CB-CZ 4.32Å; F89-F114 HydrophobicContact CD2-CE1 4.33Å; F89-F114 HydrophobicContact CD2-CE2 4.24Å; F89-F114 HydrophobicContact CD2-CZ 4.05Å; F89-F114 HydrophobicContact CG-CE2 4.41Å; F89-F173 HydrophobicContact CB-CD1 3.95Å; F89-F173 HydrophobicContact CB-CE1 3.67Å; F89-F173 HydrophobicContact CB-CE2 4.29Å; F89-F173 HydrophobicContact CB-CG 4.39Å; F89-F173 HydrophobicContact CB-CZ 3.85Å; F89-F173 HydrophobicContact CD1-CB 3.67Å; F89-F173 AromaticContact CD1-CD1 3.4Å; F89-F173 HydrophobicContact CD1-CD1 3.4Å; F89-F173 VanDerWaalsContact CD1-CD1 3.4Å; F89-F173 HydrophobicContact CD1-CD2 4.05Å; F89-F173 HydrophobicContact CD1-CE1 4.06Å; F89-F173 AromaticContact CD1-CG 3.4Å; F89-F173 HydrophobicContact CD1-CG 3.4Å; F89-F173 HydrophobicContact CD2-CD2 4.1Å; F89-F173 HydrophobicContact CD2-CE2 4.31Å; F89-F173 HydrophobicContact CD2-CG 4.29Å; F89-F173 HydrophobicContact CE1-CB 3.35Å; F89-F173 HydrophobicContact CE1-CD1 4.05Å; F89-F173 HydrophobicContact CE1-CD2 4.22Å; F89-F173 AromaticContact CE1-CG 3.61Å; F89-F173 HydrophobicContact CE1-CG 3.61Å; F89-F173 HydrophobicContact CE2-CD2 4.28Å; F89-F173 HydrophobicContact CE2-CG 4.45Å; F89-F173 HydrophobicContact CG-CB 4.45Å; F89-F173 AromaticContact CG-CD1 3.77Å; F89-F173 HydrophobicContact CG-CD1 3.77Å; F89-F173 AromaticContact CG-CD2 3.98Å; F89-F173 HydrophobicContact CG-CD2 3.98Å; F89-F173 AromaticContact CG-CE1 3.98Å; F89-F173 HydrophobicContact CG-CE1 3.98Å; F89-F173 HydrophobicContact CG-CE2 4.18Å; F89-F173 AromaticContact CG-CG 3.78Å; F89-F173 HydrophobicContact CG-CG 3.78Å; F89-F173 HydrophobicContact CG-CZ 4.18Å; F89-F173 HydrophobicContact CZ-CB 3.9Å; F89-F173 HydrophobicContact CZ-CD2 4.33Å; F89-F173 HydrophobicContact CZ-CG 4.14Å; F89-F173 WeakPolarHBondContact O-CE1 3.05Å; F89-T286 HydrophobicContact CE2-CG2 4.06Å; F89-T286 HydrophobicContact CZ-CG2 3.81Å
90	V	88.4	Confident	88.9	Confident	12 Å²	12	47.6 Å²	47.6	7%	0.073	23%	0.233	C	C	.	.	H	α-helix	trans	-62.4	-50.4	173.8	175.9	0	0	0	0	110.3	L86 T87 T92 I93 E94 K111 F114	L86-V90 PolarHBondContact O-N 2.64Å; T87-V90 PolarHBondContact O-N 3.21Å; V90-T92 VanDerWaalsContact C-N 3.3Å; V90-T92 PolarHBondContact O-N 3.44Å; V90-I93 PolarHBondContact O-N 2.88Å; V90-E94 WeakPolarHBondContact O-CG 3.31Å; V90-E94 PolarHBondContact O-N 2.73Å; V90-K111 HydrophobicContact CG1-CD 4.25Å; V90-K111 HydrophobicContact CG1-CG 4.26Å; V90-F114 HydrophobicContact CG2-CB 3.77Å; V90-F114 HydrophobicContact CG2-CD2 4.1Å; V90-F114 HydrophobicContact CG2-CG 4.47Å
91	N	91.8	Very high	89	Confident	73 Å²	73	52 Å²	52	39%	0.39	25%	0.254	S	S	.	.	H	α-helix	trans	-59.5	-40.2	178.5	-68.3	-18.3	0	0	0	112.3	T87 E88 E94 S95	T87-N91 VanDerWaalsContact O-CG 3.32Å; T87-N91 PolarHBondContact O-N 3.42Å; T87-N91 PolarHBondContact O-ND2 3.45Å; E88-N91 PolarHBondContact O-N 3.06Å; N91-E94 PolarHBondContact O-N 2.84Å; N91-S95 VanDerWaalsContact O-CB 3.23Å; N91-S95 WeakPolarHBondContact O-CB 3.39Å; N91-S95 PolarHBondContact O-N 3.06Å
92	T	89.7	Confident	89	Confident	9 Å²	9	51.5 Å²	51.5	6%	0.055	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-48.7	177.7	-60.1	0	0	0	0	110.3	E88 F89 V90 E94 S95 E96 F173 E174	E88-T92 VanDerWaalsContact O-CB 3.24Å; E88-T92 WeakPolarHBondContact O-CB 3.37Å; E88-T92 PolarHBondContact O-N 2.86Å; E88-T92 PolarHBondContact O-OG1 3.35Å; F89-T92 PolarHBondContact O-N 3.46Å; V90-T92 VanDerWaalsContact C-N 3.3Å; V90-T92 PolarHBondContact O-N 3.44Å; T92-E94 VanDerWaalsContact C-N 3.32Å; T92-E94 PolarHBondContact O-N 3.39Å; T92-S95 PolarHBondContact O-N 3.41Å; T92-E96 HydrophobicContact CG2-CG 4.12Å; T92-E96 WeakPolarHBondContact O-CB 3.41Å; T92-E96 WeakPolarHBondContact O-CG 3.4Å; T92-E96 PolarHBondContact O-N 2.99Å; T92-F173 HydrophobicContact CG2-CD1 4.11Å; T92-F173 HydrophobicContact CG2-CE1 4.22Å; T92-E174 HydrophobicContact CG2-CB 3.9Å; T92-E174 HydrophobicContact CG2-CG 3.87Å
93	I	87.6	Confident	89.2	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-55.2	-50.3	175.7	-71.4	170	0	0	0	110.3	F89 V90 E97 L110 K111 F114 F173	F89-I93 WeakPolarHBondContact O-CG1 3.34Å; F89-I93 PolarHBondContact O-N 3.48Å; V90-I93 PolarHBondContact O-N 2.88Å; I93-E97 HydrophobicContact CG2-CG 4.26Å; I93-E97 VanDerWaalsContact O-CB 3.26Å; I93-E97 WeakPolarHBondContact O-CB 3.39Å; I93-E97 VanDerWaalsContact O-CG 3.23Å; I93-E97 WeakPolarHBondContact O-CG 3.2Å; I93-E97 PolarHBondContact O-N 2.94Å; I93-L110 HydrophobicContact CD1-CB 4.11Å; I93-K111 HydrophobicContact CB-CD 4.26Å; I93-K111 HydrophobicContact CB-CG 4.35Å; I93-K111 HydrophobicContact CD1-CG 3.84Å; I93-K111 HydrophobicContact CG2-CD 3.72Å; I93-K111 HydrophobicContact CG2-CG 4.05Å; I93-F114 HydrophobicContact CD1-CD2 4.42Å; I93-F114 HydrophobicContact CD1-CE2 3.98Å; I93-F173 HydrophobicContact CD1-CE1 4.44Å; I93-F173 HydrophobicContact CD1-CZ 3.87Å; I93-F173 HydrophobicContact CG1-CE1 3.95Å; I93-F173 HydrophobicContact CG1-CZ 3.81Å
94	E	91.8	Very high	88.8	Confident	97 Å²	97	51.8 Å²	51.8	45%	0.453	25%	0.252	S	S	.	.	H	α-helix	trans	-65.6	-42.6	-175.7	-68.5	-177.8	166.5	0	0	112.7	V90 N91 T92 H98 K111	V90-E94 WeakPolarHBondContact O-CG 3.31Å; V90-E94 PolarHBondContact O-N 2.73Å; N91-E94 PolarHBondContact O-N 2.84Å; T92-E94 VanDerWaalsContact C-N 3.32Å; T92-E94 PolarHBondContact O-N 3.39Å; E94-H98 VanDerWaalsContact O-CB 3.22Å; E94-H98 WeakPolarHBondContact O-CB 3.39Å; E94-H98 PolarHBondContact O-N 2.96Å; E94-K111 HydrophobicContact CG-CD 3.88Å
95	S	93.5	Very high	88.2	Confident	65 Å²	65	53.1 Å²	53.1	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-63.4	-48	177.4	-175.7	0	0	0	0	111.5	N91 T92 H98 E99	N91-S95 VanDerWaalsContact O-CB 3.23Å; N91-S95 WeakPolarHBondContact O-CB 3.39Å; N91-S95 PolarHBondContact O-N 3.06Å; T92-S95 PolarHBondContact O-N 3.41Å; S95-H98 PolarHBondContact O-N 2.84Å; S95-E99 WeakPolarHBondContact O-CB 3.19Å; S95-E99 PolarHBondContact O-N 3.24Å
96	E	90.8	Very high	87.8	Confident	9 Å²	9	58.1 Å²	58.1	4%	0.042	29%	0.285	C	S	.	.	H	α-helix	trans	-70.3	-39.6	-178.4	-62.4	-56	146.6	0	0	112	K27 T92 H98 E99 Y100 L178 I181	K27-E96 IonicContact NZ-OE1 2.66Å; K27-E96 PolarHBondContact NZ-OE1 2.96Å; K27-E96 IonicContact NZ-OE2 3.29Å; K27-E96 PolarHBondContact NZ-OE2 2.72Å; T92-E96 HydrophobicContact CG2-CG 4.12Å; T92-E96 WeakPolarHBondContact O-CB 3.41Å; T92-E96 WeakPolarHBondContact O-CG 3.4Å; T92-E96 PolarHBondContact O-N 2.99Å; E96-H98 VanDerWaalsContact C-N 3.3Å; E96-H98 PolarHBondContact O-N 3.41Å; E96-E99 PolarHBondContact O-N 2.88Å; E96-Y100 VanDerWaalsContact O-CD2 3.31Å; E96-Y100 WeakPolarHBondContact O-CD2 3.29Å; E96-Y100 PolarHBondContact O-N 2.83Å; E96-Y100 VanDerWaalsContact O-N 3.11Å; E96-Y100 VanDerWaalsContact OE2-CE2 3.26Å; E96-Y100 WeakPolarHBondContact OE2-CE2 3.01Å; E96-L178 WeakPolarHBondContact OE2-CD2 3.16Å; E96-I181 HydrophobicContact CB-CD1 3.54Å
97	E	90.4	Very high	87.8	Confident	17 Å²	17	57.6 Å²	57.6	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-58.6	-43.2	171.9	-78.3	-171	139.1	0	0	111.5	I93 Q101 I102 L104 S107 K111	I93-E97 HydrophobicContact CG2-CG 4.26Å; I93-E97 VanDerWaalsContact O-CB 3.26Å; I93-E97 WeakPolarHBondContact O-CB 3.39Å; I93-E97 VanDerWaalsContact O-CG 3.23Å; I93-E97 WeakPolarHBondContact O-CG 3.2Å; I93-E97 PolarHBondContact O-N 2.94Å; E97-Q101 WeakPolarHBondContact O-CA 3.4Å; E97-Q101 PolarHBondContact O-N 3.46Å; E97-I102 CarbonylContact C-O 3.59Å; E97-I102 WeakPolarHBondContact CA-O 3.43Å; E97-I102 WeakPolarHBondContact CB-O 2.99Å; E97-I102 WeakPolarHBondContact CG-O 3.48Å; E97-I102 PolarHBondContact O-N 3.49Å; E97-L104 PolarHBondContact OE1-N 3.46Å; E97-S107 VanDerWaalsContact CD-OG 3.32Å; E97-S107 WeakPolarHBondContact OE1-CB 3.19Å; E97-S107 PolarHBondContact OE1-OG 2.94Å; E97-S107 PolarHBondContact OE2-OG 2.92Å; E97-K111 IonicContact OE2-NZ 3.25Å; E97-K111 PolarHBondContact OE2-NZ 3.45Å
98	H	92.4	Very high	87.4	Confident	157 Å²	157	60.5 Å²	60.5	73%	0.727	29%	0.29	S	S	*	.	H	α-helix	trans	-66.9	-48.3	178.1	-176.9	70.7	0	0	0	112.3	E94 S95 E96 Y100 Q101	E94-H98 VanDerWaalsContact O-CB 3.22Å; E94-H98 WeakPolarHBondContact O-CB 3.39Å; E94-H98 PolarHBondContact O-N 2.96Å; S95-H98 PolarHBondContact O-N 2.84Å; E96-H98 VanDerWaalsContact C-N 3.3Å; E96-H98 PolarHBondContact O-N 3.41Å; H98-Y100 PolarHBondContact O-N 2.57Å; H98-Q101 PolarHBondContact O-N 3.38Å
99	E	92	Very high	86.8	Confident	83 Å²	83	61.7 Å²	61.7	39%	0.388	30%	0.297	S	S	.	.	H	α-helix	trans	-58.6	-46.1	-178.6	-179.8	174	156.4	0	0	111.8	K27 S95 E96 Q101	K27-E99 VanDerWaalsContact CE-OE1 3.31Å; K27-E99 WeakPolarHBondContact CE-OE1 3.43Å; K27-E99 WeakPolarHBondContact CE-OE2 3.4Å; K27-E99 VanDerWaalsContact NZ-CD 3.27Å; K27-E99 IonicContact NZ-OE1 3.2Å; K27-E99 PolarHBondContact NZ-OE1 2.8Å; K27-E99 IonicContact NZ-OE2 2.88Å; K27-E99 PolarHBondContact NZ-OE2 2.88Å; S95-E99 WeakPolarHBondContact O-CB 3.19Å; S95-E99 PolarHBondContact O-N 3.24Å; E96-E99 PolarHBondContact O-N 2.88Å; E99-Q101 VanDerWaalsContact C-N 3.33Å
100	Y	90.1	Very high	86.3	Confident	3 Å²	3	61.9 Å²	61.9	1%	0.012	30%	0.298	C	S	.	.	H	α-helix	trans	-88.8	-1.4	-178	-65.8	-68.2	0	0	0	113.9	K20 S23 I24 E96 H98 I102 L178 I181 I185	K20-Y100 HydrophobicContact CB-CD1 3.95Å; K20-Y100 HydrophobicContact CB-CE1 4.29Å; K20-Y100 HydrophobicContact CD-CD1 4.45Å; K20-Y100 VanDerWaalsContact CE-O 3.32Å; K20-Y100 WeakPolarHBondContact CE-O 3.15Å; K20-Y100 HydrophobicContact CG-CD1 3.97Å; K20-Y100 PolarHBondContact NZ-O 3.35Å; K20-Y100 VanDerWaalsContact NZ-O 3.15Å; S23-Y100 PolarHBondContact OG-OH 3.02Å; I24-Y100 HydrophobicContact CD1-CD1 4.43Å; I24-Y100 HydrophobicContact CD1-CE1 4.16Å; I24-Y100 HydrophobicContact CD1-CE2 4.48Å; I24-Y100 HydrophobicContact CG1-CD1 4.36Å; I24-Y100 HydrophobicContact CG1-CE1 3.62Å; I24-Y100 HydrophobicContact CG1-CE2 3.92Å; I24-Y100 WeakPolarHBondContact CG1-OH 3.46Å; I24-Y100 PolarHBondContact N-OH 3.04Å; E96-Y100 VanDerWaalsContact O-CD2 3.31Å; E96-Y100 WeakPolarHBondContact O-CD2 3.29Å; E96-Y100 PolarHBondContact O-N 2.83Å; E96-Y100 VanDerWaalsContact O-N 3.11Å; E96-Y100 VanDerWaalsContact OE2-CE2 3.26Å; E96-Y100 WeakPolarHBondContact OE2-CE2 3.01Å; H98-Y100 PolarHBondContact O-N 2.57Å; Y100-I102 PolarHBondContact O-N 2.88Å; Y100-L178 HydrophobicContact CE2-CD2 3.56Å; Y100-I181 HydrophobicContact CD2-CD1 3.89Å; Y100-I181 HydrophobicContact CD2-CG2 3.79Å; Y100-I181 HydrophobicContact CG-CG2 3.82Å; Y100-I185 HydrophobicContact CD1-CD1 4.42Å
101	Q	88.3	Confident	86.1	Confident	162 Å²	162	62.7 Å²	62.7	76%	0.757	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	44.2	-175.9	-58.1	178.3	-9.3	0	0	111.9	E97 H98 E99	E97-Q101 WeakPolarHBondContact O-CA 3.4Å; E97-Q101 PolarHBondContact O-N 3.46Å; H98-Q101 PolarHBondContact O-N 3.38Å; E99-Q101 VanDerWaalsContact C-N 3.33Å
102	I	85.4	Confident	85.5	Confident	8 Å²	8	62.8 Å²	62.8	4%	0.041	30%	0.302	C	S	.	.			trans	-121.9	141.2	-178.7	-77.1	169	0	0	0	109.4	E97 Y100 L104 I181 E184 I185	E97-I102 CarbonylContact C-O 3.59Å; E97-I102 WeakPolarHBondContact CA-O 3.43Å; E97-I102 WeakPolarHBondContact CB-O 2.99Å; E97-I102 WeakPolarHBondContact CG-O 3.48Å; E97-I102 PolarHBondContact O-N 3.49Å; Y100-I102 PolarHBondContact O-N 2.88Å; I102-L104 HydrophobicContact CG2-CD2 3.95Å; I102-L104 HydrophobicContact CG2-CG 4.29Å; I102-I181 HydrophobicContact CD1-CG2 3.85Å; I102-E184 HydrophobicContact CG2-CB 4.21Å; I102-E184 HydrophobicContact CG2-CG 3.83Å; I102-I185 HydrophobicContact CD1-CB 4.4Å; I102-I185 HydrophobicContact CD1-CD1 3.83Å; I102-I185 HydrophobicContact CD1-CG1 3.13Å
103	Y	84.9	Confident	85.1	Confident	130 Å²	130	63.6 Å²	63.6	51%	0.51	31%	0.307	S	S	.	.			trans	-108.4	117.8	168	-177.1	-101.1	0	0	0	109.3	K108	Y103-K108 WeakPolarHBondContact OH-CB 3.26Å
104	L	80	Confident	84.9	Confident	21 Å²	21	63.6 Å²	63.6	11%	0.11	31%	0.307	C	S	.	.			trans	-87.6	118.8	174.5	-62.8	176.1	0	0	0	108.7	E97 I102 K106 S107 E180 I181 E184	E97-L104 PolarHBondContact OE1-N 3.46Å; I102-L104 HydrophobicContact CG2-CD2 3.95Å; I102-L104 HydrophobicContact CG2-CG 4.29Å; L104-K106 PolarHBondContact O-N 3.06Å; L104-S107 WeakPolarHBondContact O-CB 3.49Å; L104-S107 PolarHBondContact O-N 3.3Å; L104-S107 PolarHBondContact O-OG 2.82Å; L104-E180 HydrophobicContact CD1-CB 3.96Å; L104-E180 HydrophobicContact CD2-CB 4.35Å; L104-I181 HydrophobicContact CD1-CG1 3.89Å; L104-I181 HydrophobicContact CD2-CG1 4.34Å; L104-I181 HydrophobicContact CG-CG1 4.3Å; L104-E184 HydrophobicContact CD2-CB 4.12Å
105	N	75.6	Confident	84.6	Confident	134 Å²	134	62.5 Å²	62.5	72%	0.717	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-29.3	179.2	-74	-24.1	0	0	0	113.8
106	K	79.1	Confident	84.1	Confident	117 Å²	117	63.1 Å²	63.1	51%	0.509	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.2	177.7	-64	179.9	-176.8	172.8	0	113.6	L104 K108 I109 L110	L104-K106 PolarHBondContact O-N 3.06Å; K106-K108 PolarHBondContact O-N 3.48Å; K106-I109 PolarHBondContact O-N 3.2Å; K106-L110 PolarHBondContact O-N 3.38Å; K106-L110 VanDerWaalsContact O-N 3.07Å
107	S	83.5	Confident	83.7	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.014	33%	0.327	C	S	.	.	H	α-helix	trans	-63.3	-42.2	-174.7	67.2	0	0	0	0	112.1	E97 L104 I109 L110 K111	E97-S107 VanDerWaalsContact CD-OG 3.32Å; E97-S107 WeakPolarHBondContact OE1-CB 3.19Å; E97-S107 PolarHBondContact OE1-OG 2.94Å; E97-S107 PolarHBondContact OE2-OG 2.92Å; L104-S107 WeakPolarHBondContact O-CB 3.49Å; L104-S107 PolarHBondContact O-N 3.3Å; L104-S107 PolarHBondContact O-OG 2.82Å; S107-I109 VanDerWaalsContact C-N 3.3Å; S107-I109 PolarHBondContact O-N 2.98Å; S107-L110 PolarHBondContact O-N 3.4Å; S107-K111 WeakPolarHBondContact O-CB 3.15Å; S107-K111 WeakPolarHBondContact O-CG 3.11Å; S107-K111 PolarHBondContact O-N 2.92Å
108	K	80.3	Confident	83.3	Confident	118 Å²	118	67.5 Å²	67.5	51%	0.513	33%	0.33	S	S	.	.	H	α-helix	trans	-57.6	-45.1	177.1	-177.8	174.7	-179	177.3	0	111.5	Y103 K106 L110 K111 D112	Y103-K108 WeakPolarHBondContact OH-CB 3.26Å; K106-K108 PolarHBondContact O-N 3.48Å; K108-L110 VanDerWaalsContact C-N 3.34Å; K108-L110 PolarHBondContact O-N 2.93Å; K108-K111 PolarHBondContact O-N 3.37Å; K108-D112 WeakPolarHBondContact O-CB 3.2Å; K108-D112 PolarHBondContact O-N 3.22Å
109	I	78.9	Confident	82.7	Confident	65 Å²	65	64.8 Å²	64.8	33%	0.333	32%	0.32	S	S	.	.	H	α-helix	trans	-63.3	-42.2	178.9	-64.9	171.2	0	0	0	111	K106 S107 C113 K297	K106-I109 PolarHBondContact O-N 3.2Å; S107-I109 VanDerWaalsContact C-N 3.3Å; S107-I109 PolarHBondContact O-N 2.98Å; I109-C113 WeakPolarHBondContact O-CB 3.31Å; I109-C113 PolarHBondContact O-N 3.02Å; I109-C113 VanDerWaalsContact O-N 3.11Å; I109-K297 HydrophobicContact CG2-CD 4.05Å
110	L	78.1	Confident	82.3	Confident	13 Å²	13	62.3 Å²	62.3	7%	0.068	32%	0.317	C	S	.	.	H	α-helix	trans	-66.6	-47.3	178	-72.6	167.9	0	0	0	111.9	I93 K106 S107 K108 C113 F114 Y290 C293 T294	I93-L110 HydrophobicContact CD1-CB 4.11Å; K106-L110 PolarHBondContact O-N 3.38Å; K106-L110 VanDerWaalsContact O-N 3.07Å; S107-L110 PolarHBondContact O-N 3.4Å; K108-L110 VanDerWaalsContact C-N 3.34Å; K108-L110 PolarHBondContact O-N 2.93Å; L110-C113 WeakPolarHBondContact O-CA 3.24Å; L110-C113 WeakPolarHBondContact O-CB 3.21Å; L110-C113 PolarHBondContact O-N 2.93Å; L110-C113 VanDerWaalsContact O-N 3.09Å; L110-F114 HydrophobicContact CB-CE2 4.26Å; L110-F114 HydrophobicContact CD2-CZ 4.38Å; L110-F114 WeakPolarHBondContact O-CD2 3.39Å; L110-F114 WeakPolarHBondContact O-CG 3.33Å; L110-F114 PolarHBondContact O-N 2.99Å; L110-Y290 HydrophobicContact CD1-CD2 4.38Å; L110-Y290 HydrophobicContact CD1-CE2 3.77Å; L110-Y290 HydrophobicContact CD2-CD2 3.74Å; L110-Y290 HydrophobicContact CD2-CE2 3.85Å; L110-Y290 HydrophobicContact CG-CE2 4.48Å; L110-C293 HydrophobicContact CD2-CB 4.25Å; L110-T294 HydrophobicContact CD2-CG2 4.36Å
111	K	84	Confident	81.8	Confident	30 Å²	30	63.2 Å²	63.2	13%	0.13	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-46.4	177.5	-71.2	-173.6	-70.2	-160.9	0	111.6	V90 I93 E94 E97 S107 K108 C113 F114 N115	V90-K111 HydrophobicContact CG1-CD 4.25Å; V90-K111 HydrophobicContact CG1-CG 4.26Å; I93-K111 HydrophobicContact CB-CD 4.26Å; I93-K111 HydrophobicContact CB-CG 4.35Å; I93-K111 HydrophobicContact CD1-CG 3.84Å; I93-K111 HydrophobicContact CG2-CD 3.72Å; I93-K111 HydrophobicContact CG2-CG 4.05Å; E94-K111 HydrophobicContact CG-CD 3.88Å; E97-K111 IonicContact OE2-NZ 3.25Å; E97-K111 PolarHBondContact OE2-NZ 3.45Å; S107-K111 WeakPolarHBondContact O-CB 3.15Å; S107-K111 WeakPolarHBondContact O-CG 3.11Å; S107-K111 PolarHBondContact O-N 2.92Å; K108-K111 PolarHBondContact O-N 3.37Å; K111-C113 PolarHBondContact O-N 3.42Å; K111-F114 PolarHBondContact O-N 2.9Å; K111-N115 WeakPolarHBondContact O-CB 3.36Å; K111-N115 VanDerWaalsContact O-CG 3.27Å; K111-N115 PolarHBondContact O-N 3.03Å; K111-N115 PolarHBondContact O-ND2 3.35Å
112	D	79.2	Confident	81.5	Confident	75 Å²	75	60.1 Å²	60.1	40%	0.401	31%	0.307	S	S	.	.	H	α-helix	trans	-57.3	-38.6	174.5	-70.2	-11.9	0	0	0	111.4	K108 S116 K297	K108-D112 WeakPolarHBondContact O-CB 3.2Å; K108-D112 PolarHBondContact O-N 3.22Å; D112-S116 WeakPolarHBondContact O-CB 3.34Å; D112-S116 PolarHBondContact O-N 2.89Å; D112-S116 VanDerWaalsContact O-N 3.11Å; D112-K297 IonicContact OD2-NZ 2.73Å
113	C	80.7	Confident	81.2	Confident	25 Å²	25	67.1 Å²	67.1	17%	0.169	34%	0.337	C	S	.	.	H	α-helix	trans	-69.3	-50	178.8	-164.8	0	0	0	0	111.8	I109 L110 K111 N115 S116 E117 C293	I109-C113 WeakPolarHBondContact O-CB 3.31Å; I109-C113 PolarHBondContact O-N 3.02Å; I109-C113 VanDerWaalsContact O-N 3.11Å; L110-C113 WeakPolarHBondContact O-CA 3.24Å; L110-C113 WeakPolarHBondContact O-CB 3.21Å; L110-C113 PolarHBondContact O-N 2.93Å; L110-C113 VanDerWaalsContact O-N 3.09Å; K111-C113 PolarHBondContact O-N 3.42Å; C113-N115 VanDerWaalsContact C-N 3.31Å; C113-N115 PolarHBondContact O-N 3.01Å; C113-S116 WeakPolarHBondContact O-CB 3.03Å; C113-S116 PolarHBondContact O-N 3.34Å; C113-E117 PolarHBondContact O-N 2.85Å; C113-C293 HydrophobicContact CB-CB 3.59Å; C113-C293 WeakPolarHBondContact CB-SG 3.45Å; C113-C293 VanDerWaalsContact SG-CA 3.53Å; C113-C293 WeakPolarHBondContact SG-CB 2.88Å; C113-C293 CovalentContact SG-SG 2.02Å; C113-C293 PolarHBondContact SG-SG 3.41Å
114	F	84.8	Confident	80.9	Confident	4 Å²	4	66 Å²	66	2%	0.018	34%	0.338	C	S	.	.	H	α-helix	trans	-60.3	-41.2	178.3	-61.4	-29	0	0	0	112.1	L86 F89 V90 I93 L110 K111 S116 E117 L118 F173 V289	L86-F114 HydrophobicContact CD2-CB 4.19Å; L86-F114 HydrophobicContact CD2-CD1 3.8Å; L86-F114 HydrophobicContact CD2-CG 4.2Å; F89-F114 HydrophobicContact CB-CD2 3.82Å; F89-F114 HydrophobicContact CB-CE2 3.66Å; F89-F114 HydrophobicContact CB-CZ 4.32Å; F89-F114 HydrophobicContact CD2-CE1 4.33Å; F89-F114 HydrophobicContact CD2-CE2 4.24Å; F89-F114 HydrophobicContact CD2-CZ 4.05Å; F89-F114 HydrophobicContact CG-CE2 4.41Å; V90-F114 HydrophobicContact CG2-CB 3.77Å; V90-F114 HydrophobicContact CG2-CD2 4.1Å; V90-F114 HydrophobicContact CG2-CG 4.47Å; I93-F114 HydrophobicContact CD1-CD2 4.42Å; I93-F114 HydrophobicContact CD1-CE2 3.98Å; L110-F114 HydrophobicContact CB-CE2 4.26Å; L110-F114 HydrophobicContact CD2-CZ 4.38Å; L110-F114 WeakPolarHBondContact O-CD2 3.39Å; L110-F114 WeakPolarHBondContact O-CG 3.33Å; L110-F114 PolarHBondContact O-N 2.99Å; K111-F114 PolarHBondContact O-N 2.9Å; F114-S116 VanDerWaalsContact C-N 3.29Å; F114-S116 PolarHBondContact O-N 3.42Å; F114-E117 PolarHBondContact O-N 3.32Å; F114-L118 VanDerWaalsContact O-CB 3.25Å; F114-L118 WeakPolarHBondContact O-CB 3.46Å; F114-L118 PolarHBondContact O-N 3.07Å; F114-F173 AromaticContact CE2-CE2 3.92Å; F114-F173 HydrophobicContact CE2-CE2 3.92Å; F114-F173 AromaticContact CE2-CZ 3.76Å; F114-F173 HydrophobicContact CE2-CZ 3.76Å; F114-F173 AromaticContact CZ-CE2 3.82Å; F114-F173 HydrophobicContact CZ-CE2 3.82Å; F114-F173 HydrophobicContact CZ-CZ 4.16Å; F114-V289 HydrophobicContact CD1-CG1 4.15Å; F114-V289 HydrophobicContact CE1-CG1 3.89Å
115	N	83.8	Confident	80.8	Confident	75 Å²	75	67 Å²	67	40%	0.401	34%	0.343	S	S	.	.	H	α-helix	trans	-63.4	-35.1	174.6	-72.2	-25.1	0	0	0	112.4	K111 C113 L119	K111-N115 WeakPolarHBondContact O-CB 3.36Å; K111-N115 VanDerWaalsContact O-CG 3.27Å; K111-N115 PolarHBondContact O-N 3.03Å; K111-N115 PolarHBondContact O-ND2 3.35Å; C113-N115 VanDerWaalsContact C-N 3.31Å; C113-N115 PolarHBondContact O-N 3.01Å; N115-L119 PolarHBondContact O-N 2.76Å
116	S	82.9	Confident	80.8	Confident	78 Å²	78	64.8 Å²	64.8	55%	0.545	34%	0.338	S	S	.	.	H	α-helix	trans	-69.2	-41.8	175.3	-173.1	0	0	0	0	112.3	D112 C113 F114	D112-S116 WeakPolarHBondContact O-CB 3.34Å; D112-S116 PolarHBondContact O-N 2.89Å; D112-S116 VanDerWaalsContact O-N 3.11Å; C113-S116 WeakPolarHBondContact O-CB 3.03Å; C113-S116 PolarHBondContact O-N 3.34Å; F114-S116 VanDerWaalsContact C-N 3.29Å; F114-S116 PolarHBondContact O-N 3.42Å
117	E	82.6	Confident	80.5	Confident	92 Å²	92	64.4 Å²	64.4	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-67.2	-38	176.4	-68.9	-60.6	139.9	0	0	111.3	L86 C113 F114 L119 G120 I121	L86-E117 HydrophobicContact CD1-CB 3.67Å; C113-E117 PolarHBondContact O-N 2.85Å; F114-E117 PolarHBondContact O-N 3.32Å; E117-L119 VanDerWaalsContact C-N 3.33Å; E117-L119 PolarHBondContact O-N 3.47Å; E117-G120 WeakPolarHBondContact O-CA 3.2Å; E117-G120 PolarHBondContact O-N 3.23Å; E117-I121 PolarHBondContact O-N 3.16Å
118	L	82.6	Confident	80	Confident	25 Å²	25	68.4 Å²	68.4	13%	0.131	36%	0.357	C	S	.	.	H	α-helix	trans	-56	-45.8	177.6	-177.3	140.7	0	0	0	111.5	L83 L86 T87 F114 G120 I121 E122	L83-L118 HydrophobicContact CD1-CD1 4.14Å; L83-L118 HydrophobicContact CD1-CG 3.8Å; L86-L118 HydrophobicContact CB-CD1 4.46Å; L86-L118 HydrophobicContact CD1-CB 4.33Å; T87-L118 VanDerWaalsContact OG1-CD1 3.24Å; T87-L118 WeakPolarHBondContact OG1-CD1 3.49Å; F114-L118 VanDerWaalsContact O-CB 3.25Å; F114-L118 WeakPolarHBondContact O-CB 3.46Å; F114-L118 PolarHBondContact O-N 3.07Å; L118-G120 PolarHBondContact O-N 3.41Å; L118-I121 PolarHBondContact O-N 3.46Å; L118-E122 VanDerWaalsContact CD2-CD 3.45Å; L118-E122 HydrophobicContact CD2-CG 4.16Å; L118-E122 VanDerWaalsContact CD2-OE1 3.29Å; L118-E122 WeakPolarHBondContact CD2-OE1 3.25Å; L118-E122 HydrophobicContact CG-CG 4.47Å; L118-E122 WeakPolarHBondContact O-CB 3.5Å; L118-E122 VanDerWaalsContact O-CG 3.31Å; L118-E122 WeakPolarHBondContact O-CG 3.18Å; L118-E122 PolarHBondContact O-N 2.7Å
119	L	80.5	Confident	80	Confident	101 Å²	101	65 Å²	65	53%	0.529	35%	0.347	S	S	.	.	H	α-helix	trans	-61.8	-26.1	174.7	-68.5	172.7	0	0	0	113.8	N115 E117 K123	N115-L119 PolarHBondContact O-N 2.76Å; E117-L119 VanDerWaalsContact C-N 3.33Å; E117-L119 PolarHBondContact O-N 3.47Å; L119-K123 WeakPolarHBondContact O-CG 3.41Å
120	G	82.4	Confident	79.9	Confident	31 Å²	31	66.6 Å²	66.6	32%	0.32	35%	0.353	S	S	.	.	H	α-helix	trans	-75.8	-46.3	174.6	0	0	0	0	0	111.6	E117 L118 K123 M124	E117-G120 WeakPolarHBondContact O-CA 3.2Å; E117-G120 PolarHBondContact O-N 3.23Å; L118-G120 PolarHBondContact O-N 3.41Å; G120-K123 PolarHBondContact O-N 2.62Å; G120-M124 PolarHBondContact O-N 3.16Å
121	I	80.1	Confident	80	Confident	21 Å²	21	71.9 Å²	71.9	11%	0.108	38%	0.377	C	S	.	.	H	α-helix	trans	-70.6	-38.7	-178.7	-60.4	-175	0	0	0	111.8	V79 R82 L83 L86 E117 L118 K123 M124 I125	V79-I121 HydrophobicContact CG1-CG2 4.01Å; R82-I121 HydrophobicContact CB-CD1 3.76Å; L83-I121 HydrophobicContact CB-CG2 3.9Å; L86-I121 HydrophobicContact CD1-CD1 3.59Å; L86-I121 HydrophobicContact CD1-CG1 4.46Å; E117-I121 PolarHBondContact O-N 3.16Å; L118-I121 PolarHBondContact O-N 3.46Å; I121-K123 PolarHBondContact O-N 2.67Å; I121-M124 PolarHBondContact O-N 3.4Å; I121-I125 HydrophobicContact CG2-CD1 4.23Å; I121-I125 HydrophobicContact CG2-CG1 4.42Å; I121-I125 PolarHBondContact O-N 2.74Å
122	E	81.7	Confident	79.9	Confident	97 Å²	97	73.7 Å²	73.7	45%	0.453	39%	0.389	S	S	.	.	H	α-helix	trans	-55.1	-34.6	175.2	-76.9	179.7	154.8	0	0	112.3	L83 L118	L83-E122 HydrophobicContact CD1-CG 3.62Å; L118-E122 VanDerWaalsContact CD2-CD 3.45Å; L118-E122 HydrophobicContact CD2-CG 4.16Å; L118-E122 VanDerWaalsContact CD2-OE1 3.29Å; L118-E122 WeakPolarHBondContact CD2-OE1 3.25Å; L118-E122 HydrophobicContact CG-CG 4.47Å; L118-E122 WeakPolarHBondContact O-CB 3.5Å; L118-E122 VanDerWaalsContact O-CG 3.31Å; L118-E122 WeakPolarHBondContact O-CG 3.18Å; L118-E122 PolarHBondContact O-N 2.7Å
123	K	79.8	Confident	80.1	Confident	155 Å²	155	70.3 Å²	70.3	67%	0.674	37%	0.371	S	S	*	.	H	α-helix	trans	-75.6	-29.8	175.1	-66.9	175.7	-175.9	177.6	0	113.2	L119 G120 I121 S126	L119-K123 WeakPolarHBondContact O-CG 3.41Å; G120-K123 PolarHBondContact O-N 2.62Å; I121-K123 PolarHBondContact O-N 2.67Å; K123-S126 PolarHBondContact O-OG 3.07Å
124	M	78.6	Confident	80.1	Confident	106 Å²	106	72.7 Å²	72.7	52%	0.522	38%	0.381	S	S	.	.	H	α-helix	trans	-75.6	-30.6	177.9	-69.8	178.8	176.9	0	0	112	V79 G120 I121 S126 D127 Y128	V79-M124 HydrophobicContact CG1-CB 4.43Å; G120-M124 PolarHBondContact O-N 3.16Å; I121-M124 PolarHBondContact O-N 3.4Å; M124-S126 PolarHBondContact O-N 2.7Å; M124-D127 WeakPolarHBondContact O-CB 3.38Å; M124-D127 PolarHBondContact O-N 3.25Å; M124-Y128 WeakPolarHBondContact O-CD2 3.23Å
125	I	76.9	Confident	79.9	Confident	43 Å²	43	79.4 Å²	79.4	22%	0.221	41%	0.413	C	S	.	.	H	α-helix	trans	-59.7	-32.7	-178.7	-74.2	166.3	0	0	0	112.1	V79 L83 I121 D127 Y128	V79-I125 HydrophobicContact CG1-CG1 3.61Å; L83-I125 HydrophobicContact CB-CD1 3.79Å; L83-I125 HydrophobicContact CD2-CD1 3.31Å; L83-I125 HydrophobicContact CG-CD1 4.04Å; I121-I125 HydrophobicContact CG2-CD1 4.23Å; I121-I125 HydrophobicContact CG2-CG1 4.42Å; I121-I125 PolarHBondContact O-N 2.74Å; I125-D127 PolarHBondContact O-N 3.42Å; I125-Y128 PolarHBondContact O-N 3.35Å; I125-Y128 VanDerWaalsContact O-N 3.14Å
126	S	75.3	Confident	79.7	Confident	88 Å²	88	79.2 Å²	79.2	62%	0.615	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.3	175.7	54.9	0	0	0	0	113.8	K123 M124 Y128	K123-S126 PolarHBondContact O-OG 3.07Å; M124-S126 PolarHBondContact O-N 2.7Å; S126-Y128 VanDerWaalsContact C-N 3.29Å
127	D	74.2	Confident	79.4	Confident	109 Å²	109	76.2 Å²	76.2	58%	0.583	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-10.2	178.2	-56.3	-25.6	0	0	0	112.1	M124 I125 P129	M124-D127 WeakPolarHBondContact O-CB 3.38Å; M124-D127 PolarHBondContact O-N 3.25Å; I125-D127 PolarHBondContact O-N 3.42Å; D127-P129 WeakPolarHBondContact O-CD 3.24Å
128	Y	73.3	Confident	78.7	Confident	86 Å²	86	72 Å²	72	34%	0.337	37%	0.367	S	S	.	.	S	Bend	trans	-122.5	61.8	-179.8	-63.8	-89.1	0	0	0	112.3	E75 V79 M124 I125 S126	E75-Y128 HydrophobicContact CB-CE1 4.38Å; V79-Y128 HydrophobicContact CG2-CD2 4.42Å; V79-Y128 HydrophobicContact CG2-CE2 4.33Å; M124-Y128 WeakPolarHBondContact O-CD2 3.23Å; I125-Y128 PolarHBondContact O-N 3.35Å; I125-Y128 VanDerWaalsContact O-N 3.14Å; S126-Y128 VanDerWaalsContact C-N 3.29Å
129	P	78.5	Confident	78	Confident	46 Å²	46	75 Å²	75	30%	0.299	38%	0.38	S	S	.	.			trans	-61	151.2	170.7	29.9	-35.7	0	0	0	110.7	D127 E131 N132	D127-P129 WeakPolarHBondContact O-CD 3.24Å; P129-E131 VanDerWaalsContact CB-OE2 3.26Å; P129-E131 WeakPolarHBondContact CB-OE2 3.26Å; P129-E131 PolarHBondContact O-N 2.96Å; P129-N132 WeakPolarHBondContact CD-ND2 3.46Å; P129-N132 HydrophobicContact CG-CB 4.31Å; P129-N132 VanDerWaalsContact CG-CG 3.47Å; P129-N132 WeakPolarHBondContact CG-ND2 3.47Å; P129-N132 WeakPolarHBondContact CG-OD1 3.45Å; P129-N132 PolarHBondContact O-N 3.34Å
130	E	77.5	Confident	77.2	Confident	98 Å²	98	72.7 Å²	72.7	46%	0.458	37%	0.368	S	S	.	.	H	α-helix	trans	-60.7	-36.5	-179.4	-166.8	155.3	149.2	0	0	111.9	R76 N132 C133 L134	R76-E130 IonicContact CZ-OE2 2.73Å; R76-E130 VanDerWaalsContact CZ-OE2 3.25Å; R76-E130 IonicContact NH1-OE2 3.55Å; R76-E130 PolarHBondContact NH1-OE2 3.07Å; R76-E130 VanDerWaalsContact NH2-CD 3.3Å; R76-E130 IonicContact NH2-OE1 3.01Å; R76-E130 IonicContact NH2-OE2 2.64Å; R76-E130 PolarHBondContact NH2-OE2 3.26Å; E130-N132 PolarHBondContact O-N 2.81Å; E130-C133 PolarHBondContact O-N 3.47Å; E130-L134 PolarHBondContact O-N 3.11Å
131	E	79.7	Confident	76.4	Confident	124 Å²	124	79.6 Å²	79.6	58%	0.579	40%	0.398	S	S	*	.	H	α-helix	trans	-56.5	-37.3	-177.4	-63.3	82.9	174.3	0	0	111.5	P129 C133 L134 E135	P129-E131 VanDerWaalsContact CB-OE2 3.26Å; P129-E131 WeakPolarHBondContact CB-OE2 3.26Å; P129-E131 PolarHBondContact O-N 2.96Å; E131-C133 PolarHBondContact O-N 2.87Å; E131-L134 PolarHBondContact O-N 2.7Å; E131-L134 VanDerWaalsContact O-N 3.14Å; E131-E135 PolarHBondContact O-N 3.31Å
132	N	82.9	Confident	75.9	Confident	69 Å²	69	83.1 Å²	83.1	37%	0.369	42%	0.42	S	S	.	.	H	α-helix	trans	-61.1	-33.1	178	-73.4	5.8	0	0	0	112.3	P129 E130 F136	P129-N132 WeakPolarHBondContact CD-ND2 3.46Å; P129-N132 HydrophobicContact CG-CB 4.31Å; P129-N132 VanDerWaalsContact CG-CG 3.47Å; P129-N132 WeakPolarHBondContact CG-ND2 3.47Å; P129-N132 WeakPolarHBondContact CG-OD1 3.45Å; P129-N132 PolarHBondContact O-N 3.34Å; E130-N132 PolarHBondContact O-N 2.81Å; N132-F136 WeakPolarHBondContact O-CE2 3.44Å
133	C	83.3	Confident	75.1	Confident	4 Å²	4	85.1 Å²	85.1	3%	0.027	43%	0.434	C	S	.	.	H	α-helix	trans	-79	-35.6	178	-59.6	0	0	0	0	111.2	Y69 C72 E130 E131 E135 F136	Y69-C133 WeakPolarHBondContact CD2-O 3.26Å; Y69-C133 HydrophobicContact CE2-CB 4.33Å; C72-C133 HydrophobicContact CB-CB 3.81Å; C72-C133 WeakPolarHBondContact CB-SG 3.22Å; C72-C133 PolarHBondContact O-SG 3.02Å; C72-C133 VanDerWaalsContact O-SG 3.41Å; C72-C133 WeakPolarHBondContact SG-CA 3.07Å; C72-C133 WeakPolarHBondContact SG-CB 3.23Å; C72-C133 CovalentContact SG-SG 2.06Å; C72-C133 PolarHBondContact SG-SG 3.35Å; E130-C133 PolarHBondContact O-N 3.47Å; E131-C133 PolarHBondContact O-N 2.87Å; C133-E135 PolarHBondContact O-N 2.82Å; C133-F136 WeakPolarHBondContact O-CD2 3.29Å; C133-F136 PolarHBondContact O-N 2.89Å; C133-F136 VanDerWaalsContact O-N 3.08Å
134	L	79.7	Confident	74.2	Confident	75 Å²	75	83.7 Å²	83.7	39%	0.393	43%	0.43	S	S	.	.	H	α-helix	trans	-62.6	-22.7	178.7	-62.1	176.8	0	0	0	113.1	Y69 E130 E131 F136 I137	Y69-L134 HydrophobicContact CE2-CD2 4.43Å; E130-L134 PolarHBondContact O-N 3.11Å; E131-L134 PolarHBondContact O-N 2.7Å; E131-L134 VanDerWaalsContact O-N 3.14Å; L134-F136 PolarHBondContact O-N 3.2Å; L134-I137 HydrophobicContact CD2-CD1 3.57Å; L134-I137 WeakPolarHBondContact O-CB 3.46Å; L134-I137 PolarHBondContact O-N 2.93Å; L134-I137 VanDerWaalsContact O-N 3.12Å
135	E	81.7	Confident	73.4	Confident	145 Å²	145	82.4 Å²	82.4	68%	0.678	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-24	173.9	-67.1	-177.9	177.5	0	0	113.4	E131 C133 I137	E131-E135 PolarHBondContact O-N 3.31Å; C133-E135 PolarHBondContact O-N 2.82Å; E135-I137 VanDerWaalsContact C-N 3.35Å
136	F	80.1	Confident	72.6	Confident	70 Å²	70	82.3 Å²	82.3	31%	0.307	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	0.5	178.5	-58	-67	0	0	0	113.8	Q65 E68 Y69 C72 N132 C133 L134	Q65-F136 CarbonylContact C-O 3.46Å; Q65-F136 WeakPolarHBondContact CB-O 3.49Å; E68-F136 HydrophobicContact CB-CB 4.35Å; E68-F136 HydrophobicContact CB-CD1 3.67Å; E68-F136 HydrophobicContact CB-CE1 4.08Å; E68-F136 HydrophobicContact CB-CG 3.95Å; Y69-F136 HydrophobicContact CD2-CB 4.46Å; C72-F136 HydrophobicContact CB-CD2 3.95Å; C72-F136 HydrophobicContact CB-CE2 3.9Å; N132-F136 WeakPolarHBondContact O-CE2 3.44Å; C133-F136 WeakPolarHBondContact O-CD2 3.29Å; C133-F136 PolarHBondContact O-N 2.89Å; C133-F136 VanDerWaalsContact O-N 3.08Å; L134-F136 PolarHBondContact O-N 3.2Å
137	I	76	Confident	71.9	Confident	16 Å²	16	84.8 Å²	84.8	8%	0.082	43%	0.434	C	S	.	.	S	Bend	trans	-77.1	129.7	174.9	-65.2	177.9	0	0	0	108.8	Y69 L134 E135 H139 V145 I151	Y69-I137 HydrophobicContact CD2-CD1 4.33Å; Y69-I137 HydrophobicContact CD2-CG1 3.7Å; Y69-I137 HydrophobicContact CE2-CD1 3.81Å; Y69-I137 HydrophobicContact CE2-CG1 3.71Å; Y69-I137 HydrophobicContact CG-CG1 4.32Å; L134-I137 HydrophobicContact CD2-CD1 3.57Å; L134-I137 WeakPolarHBondContact O-CB 3.46Å; L134-I137 PolarHBondContact O-N 2.93Å; L134-I137 VanDerWaalsContact O-N 3.12Å; E135-I137 VanDerWaalsContact C-N 3.35Å; I137-H139 PolarHBondContact O-CE1 3.47Å; I137-H139 VanDerWaalsContact O-CE1 3.27Å; I137-H139 PolarHBondContact O-N 3.07Å; I137-H139 PolarHBondContact O-ND1 3.25Å; I137-V145 HydrophobicContact CG2-CB 4.42Å; I137-V145 HydrophobicContact CG2-CG1 3.51Å; I137-V145 HydrophobicContact CG2-CG2 4.25Å; I137-I151 HydrophobicContact CD1-CG2 4.4Å; I137-I151 HydrophobicContact CG2-CD1 3.72Å
138	P	67.5	Low	71	Confident	3 Å²	3	81.9 Å²	81.9	2%	0.019	42%	0.416	C	S	.	.			trans	-58.3	135.4	176.4	-22.4	31.2	0	0	0	112.1	Q65 V66 I146	Q65-P138 HydrophobicContact CB-CG 4.1Å; V66-P138 HydrophobicContact CG2-CG 4.33Å; P138-I146 HydrophobicContact CB-CB 4.24Å; P138-I146 HydrophobicContact CB-CD1 3.81Å; P138-I146 HydrophobicContact CB-CG1 3.97Å; P138-I146 PolarHBondContact O-N 3.17Å
139	H	68.5	Low	70.4	Confident	89 Å²	89	79.8 Å²	79.8	41%	0.412	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-118.3	141.1	172.3	-67.1	75.7	0	0	0	109.6	I137 E144	I137-H139 PolarHBondContact O-CE1 3.47Å; I137-H139 VanDerWaalsContact O-CE1 3.27Å; I137-H139 PolarHBondContact O-N 3.07Å; I137-H139 PolarHBondContact O-ND1 3.25Å; H139-E144 CarbonylContact C-O 3.56Å; H139-E144 WeakPolarHBondContact CA-O 3.27Å
140	N	63.6	Low	70.1	Confident	51 Å²	51	82.4 Å²	82.4	27%	0.273	43%	0.432	S	S	.	.			trans	-75.5	174.6	174	67.3	15	0	0	0	110.3	T142 N143 E144 I146	N140-T142 PolarHBondContact ND2-OG1 2.96Å; N140-T142 VanDerWaalsContact ND2-OG1 3.13Å; N140-T142 PolarHBondContact O-N 3.44Å; N140-T142 WeakPolarHBondContact OD1-CA 3.45Å; N140-T142 WeakPolarHBondContact OD1-CB 3.41Å; N140-T142 PolarHBondContact OD1-N 3.02Å; N140-T142 PolarHBondContact OD1-OG1 3.49Å; N140-N143 PolarHBondContact O-N 2.7Å; N140-N143 PolarHBondContact OD1-N 3.17Å; N140-E144 PolarHBondContact N-O 3.36Å; N140-E144 WeakPolarHBondContact OD1-CB 3.43Å; N140-E144 PolarHBondContact OD1-N 3.38Å; N140-E144 PolarHBondContact OD1-O 2.8Å; N140-I146 HydrophobicContact CB-CD1 4.44Å; N140-I146 HydrophobicContact CB-CG1 3.99Å
141	D	65.6	Low	69.9	Low	177 Å²	177	79 Å²	79	95%	0.947	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-13.7	177.9	-65.1	-27.2	0	0	0	114.2
142	T	70.5	Confident	69.7	Low	95 Å²	95	75.2 Å²	75.2	58%	0.583	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	9.9	175.2	53.4	0	0	0	0	114	N140 E144	N140-T142 PolarHBondContact ND2-OG1 2.96Å; N140-T142 VanDerWaalsContact ND2-OG1 3.13Å; N140-T142 PolarHBondContact O-N 3.44Å; N140-T142 WeakPolarHBondContact OD1-CA 3.45Å; N140-T142 WeakPolarHBondContact OD1-CB 3.41Å; N140-T142 PolarHBondContact OD1-N 3.02Å; N140-T142 PolarHBondContact OD1-OG1 3.49Å; T142-E144 PolarHBondContact O-N 3.46Å
143	N	64.3	Low	69.8	Low	138 Å²	138	76.3 Å²	76.3	74%	0.738	41%	0.41	S	S	*	.	S	Bend	trans	57.7	22.8	-171.8	-73.1	-17.2	0	0	0	114	N140	N140-N143 PolarHBondContact O-N 2.7Å; N140-N143 PolarHBondContact OD1-N 3.17Å
144	E	60.8	Low	69.7	Low	125 Å²	125	76.1 Å²	76.1	58%	0.584	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-88.5	137.6	168.2	-57.2	179.3	159.9	0	0	108.3	H139 N140 T142 I146	H139-E144 CarbonylContact C-O 3.56Å; H139-E144 WeakPolarHBondContact CA-O 3.27Å; N140-E144 PolarHBondContact N-O 3.36Å; N140-E144 WeakPolarHBondContact OD1-CB 3.43Å; N140-E144 PolarHBondContact OD1-N 3.38Å; N140-E144 PolarHBondContact OD1-O 2.8Å; T142-E144 PolarHBondContact O-N 3.46Å; E144-I146 PolarHBondContact O-N 3.37Å; E144-I146 VanDerWaalsContact O-N 3.15Å
145	V	62.6	Low	69.9	Low	79 Å²	79	74.7 Å²	74.7	48%	0.479	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-54.7	121.3	174.5	170.7	0	0	0	0	108.8	I137 N147 I151	I137-V145 HydrophobicContact CG2-CB 4.42Å; I137-V145 HydrophobicContact CG2-CG1 3.51Å; I137-V145 HydrophobicContact CG2-CG2 4.25Å; V145-N147 PolarHBondContact O-N 3.3Å; V145-I151 HydrophobicContact CG1-CD1 4.13Å
146	I	60.1	Low	70.1	Confident	42 Å²	42	70.6 Å²	70.6	22%	0.215	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-68.5	125.5	176.3	-38.1	-178	0	0	0	107	P138 N140 E144 F148	P138-I146 HydrophobicContact CB-CB 4.24Å; P138-I146 HydrophobicContact CB-CD1 3.81Å; P138-I146 HydrophobicContact CB-CG1 3.97Å; P138-I146 PolarHBondContact O-N 3.17Å; N140-I146 HydrophobicContact CB-CD1 4.44Å; N140-I146 HydrophobicContact CB-CG1 3.99Å; E144-I146 PolarHBondContact O-N 3.37Å; E144-I146 VanDerWaalsContact O-N 3.15Å; I146-F148 HydrophobicContact CB-CD2 3.77Å; I146-F148 HydrophobicContact CB-CE2 4.25Å; I146-F148 HydrophobicContact CG2-CD2 3.28Å; I146-F148 HydrophobicContact CG2-CE2 3.35Å; I146-F148 PolarHBondContact O-N 3.09Å
147	N	59.3	Low	70.4	Confident	140 Å²	140	67.8 Å²	67.8	75%	0.749	38%	0.378	S	S	*	.			trans	-75.7	73.4	179	-164.2	18.3	0	0	0	109.5	V145 G149	V145-N147 PolarHBondContact O-N 3.3Å; N147-G149 PolarHBondContact O-N 2.87Å; N147-G149 PolarHBondContact OD1-O 3.14Å; N147-G149 VanDerWaalsContact OD1-O 3.12Å
148	F	55.8	Low	70.8	Confident	48 Å²	48	67.1 Å²	67.1	21%	0.211	37%	0.374	C	S	.	.			trans	-91.8	91.2	178.4	-99.3	-108.4	0	0	0	110.3	L56 T59 E62 I146	L56-F148 HydrophobicContact CD2-CD1 4.27Å; T59-F148 HydrophobicContact CG2-CE1 4.44Å; E62-F148 HydrophobicContact CB-CD1 3.85Å; E62-F148 HydrophobicContact CB-CE1 3.92Å; E62-F148 HydrophobicContact CB-CG 4.45Å; E62-F148 HydrophobicContact CG-CD1 4.17Å; E62-F148 HydrophobicContact CG-CE1 3.81Å; E62-F148 HydrophobicContact CG-CZ 4.04Å; E62-F148 WeakPolarHBondContact OE1-CE1 3.38Å; E62-F148 WeakPolarHBondContact OE1-CE2 3.42Å; E62-F148 WeakPolarHBondContact OE1-CZ 3.12Å; E62-F148 WeakPolarHBondContact OE2-CD1 3.22Å; E62-F148 WeakPolarHBondContact OE2-CD2 3.13Å; E62-F148 WeakPolarHBondContact OE2-CE1 3.18Å; E62-F148 WeakPolarHBondContact OE2-CE2 3.48Å; E62-F148 WeakPolarHBondContact OE2-CG 3.48Å; E62-F148 WeakPolarHBondContact OE2-CZ 3.22Å; I146-F148 HydrophobicContact CB-CD2 3.77Å; I146-F148 HydrophobicContact CB-CE2 4.25Å; I146-F148 HydrophobicContact CG2-CD2 3.28Å; I146-F148 HydrophobicContact CG2-CE2 3.35Å; I146-F148 PolarHBondContact O-N 3.09Å
149	G	61.4	Low	71.7	Confident	42 Å²	42	70.3 Å²	70.3	43%	0.433	39%	0.391	S	S	.	.	S	Bend	trans	63.4	-173.5	-167.2	0	0	0	0	0	111.6	N147 I151	N147-G149 PolarHBondContact O-N 2.87Å; N147-G149 PolarHBondContact OD1-O 3.14Å; N147-G149 VanDerWaalsContact OD1-O 3.12Å; G149-I151 PolarHBondContact O-N 3.23Å
150	D	71.7	Confident	72.7	Confident	100 Å²	100	68 Å²	68	54%	0.535	39%	0.385	S	S	.	.			trans	-85.7	88.9	175.1	-172.8	-13.1	0	0	0	108.3	G152 Y153 L154	D150-G152 PolarHBondContact O-N 3.27Å; D150-G152 WeakPolarHBondContact OD1-CA 3.35Å; D150-G152 PolarHBondContact OD1-N 3.46Å; D150-G152 VanDerWaalsContact OD1-N 3.14Å; D150-Y153 VanDerWaalsContact CG-CB 3.45Å; D150-Y153 CarbonylContact O-C 3.59Å; D150-Y153 WeakPolarHBondContact O-CA 3.14Å; D150-Y153 WeakPolarHBondContact O-CB 3.27Å; D150-Y153 PolarHBondContact O-N 3.01Å; D150-Y153 PolarHBondContact OD1-N 3.43Å; D150-L154 PolarHBondContact O-N 3.33Å
151	I	71.8	Confident	73.7	Confident	27 Å²	27	67.2 Å²	67.2	14%	0.138	38%	0.378	C	S	.	.	H	α-helix	trans	-55.2	-33.4	175	-67	173.2	0	0	0	110.4	Y69 I137 V145 G149 Y153 L154 N155	Y69-I151 HydrophobicContact CE1-CG2 4.36Å; I137-I151 HydrophobicContact CD1-CG2 4.4Å; I137-I151 HydrophobicContact CG2-CD1 3.72Å; V145-I151 HydrophobicContact CG1-CD1 4.13Å; G149-I151 PolarHBondContact O-N 3.23Å; I151-Y153 VanDerWaalsContact C-N 3.33Å; I151-Y153 PolarHBondContact O-N 3.43Å; I151-L154 PolarHBondContact O-N 3.36Å; I151-N155 WeakPolarHBondContact O-CB 3.44Å; I151-N155 PolarHBondContact O-N 3.1Å; I151-N155 PolarHBondContact O-ND2 3.39Å
152	G	77.5	Confident	74.6	Confident	44 Å²	44	59.3 Å²	59.3	45%	0.454	34%	0.336	S	S	.	.	H	α-helix	trans	-61.6	-41.3	172.6	0	0	0	0	0	112.2	D150 N155 S156	D150-G152 PolarHBondContact O-N 3.27Å; D150-G152 WeakPolarHBondContact OD1-CA 3.35Å; D150-G152 PolarHBondContact OD1-N 3.46Å; D150-G152 VanDerWaalsContact OD1-N 3.14Å; G152-N155 PolarHBondContact O-N 2.94Å; G152-S156 WeakPolarHBondContact O-CB 3.4Å; G152-S156 PolarHBondContact O-N 2.94Å
153	Y	83.3	Confident	75.4	Confident	92 Å²	92	59.3 Å²	59.3	36%	0.361	33%	0.331	S	S	.	.	H	α-helix	trans	-62.7	-48.5	172.1	-179.3	-112.7	0	0	0	112	F52 D150 I151 N155 S156 L157	F52-Y153 HydrophobicContact CD2-CD1 4.39Å; D150-Y153 VanDerWaalsContact CG-CB 3.45Å; D150-Y153 CarbonylContact O-C 3.59Å; D150-Y153 WeakPolarHBondContact O-CA 3.14Å; D150-Y153 WeakPolarHBondContact O-CB 3.27Å; D150-Y153 PolarHBondContact O-N 3.01Å; D150-Y153 PolarHBondContact OD1-N 3.43Å; I151-Y153 VanDerWaalsContact C-N 3.33Å; I151-Y153 PolarHBondContact O-N 3.43Å; Y153-N155 VanDerWaalsContact C-N 3.32Å; Y153-N155 PolarHBondContact O-N 3.25Å; Y153-S156 WeakPolarHBondContact O-CB 3.36Å; Y153-S156 PolarHBondContact O-N 3.42Å; Y153-S156 VanDerWaalsContact O-N 3.11Å; Y153-S156 PolarHBondContact O-OG 3Å; Y153-L157 HydrophobicContact CD1-CD1 4.02Å; Y153-L157 HydrophobicContact CE1-CD1 3.58Å; Y153-L157 HydrophobicContact CE1-CG 4.23Å; Y153-L157 HydrophobicContact CE2-CD2 4.28Å; Y153-L157 HydrophobicContact CE2-CG 4.39Å; Y153-L157 WeakPolarHBondContact O-CG 3.29Å; Y153-L157 PolarHBondContact O-N 2.95Å
154	L	82.9	Confident	76.3	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-56.8	-46.4	176.3	176.7	62.6	0	0	0	111.3	F52 V66 Y69 I70 D150 I151 S156 L157 I158	F52-L154 HydrophobicContact CD1-CB 4.35Å; F52-L154 HydrophobicContact CD1-CD1 3.87Å; F52-L154 HydrophobicContact CD1-CD2 4.13Å; F52-L154 HydrophobicContact CD1-CG 4.33Å; F52-L154 HydrophobicContact CE1-CB 3.95Å; F52-L154 HydrophobicContact CE1-CD1 4.22Å; F52-L154 HydrophobicContact CE1-CD2 3.72Å; F52-L154 HydrophobicContact CE1-CG 4.17Å; F52-L154 HydrophobicContact CG-CD1 4.42Å; F52-L154 HydrophobicContact CZ-CB 4.1Å; V66-L154 HydrophobicContact CG1-CD2 3.85Å; Y69-L154 HydrophobicContact CD1-CD2 4.42Å; I70-L154 HydrophobicContact CD1-CD1 4.25Å; I70-L154 HydrophobicContact CD1-CD2 4Å; I70-L154 HydrophobicContact CG1-CD1 4.34Å; I70-L154 HydrophobicContact CG1-CD2 3.8Å; I70-L154 HydrophobicContact CG1-CG 4.45Å; D150-L154 PolarHBondContact O-N 3.33Å; I151-L154 PolarHBondContact O-N 3.36Å; L154-S156 VanDerWaalsContact C-N 3.32Å; L154-S156 PolarHBondContact O-N 3.44Å; L154-L157 WeakPolarHBondContact O-CB 3.24Å; L154-L157 PolarHBondContact O-N 2.67Å; L154-L157 VanDerWaalsContact O-N 3.08Å; L154-I158 HydrophobicContact CD1-CD1 4.28Å; L154-I158 HydrophobicContact CD1-CG1 4.35Å; L154-I158 HydrophobicContact CG-CD1 4.04Å; L154-I158 WeakPolarHBondContact O-CG1 3.45Å; L154-I158 PolarHBondContact O-N 2.78Å
155	N	82	Confident	77.3	Confident	44 Å²	44	49.6 Å²	49.6	24%	0.235	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-43.6	175.5	-78.8	-21.4	0	0	0	112.5	Y69 I151 G152 Y153 L157 I158 D159	Y69-N155 WeakPolarHBondContact CE1-OD1 3.29Å; Y69-N155 VanDerWaalsContact OH-CG 3.22Å; Y69-N155 PolarHBondContact OH-ND2 3.49Å; Y69-N155 PolarHBondContact OH-OD1 2.97Å; I151-N155 WeakPolarHBondContact O-CB 3.44Å; I151-N155 PolarHBondContact O-N 3.1Å; I151-N155 PolarHBondContact O-ND2 3.39Å; G152-N155 PolarHBondContact O-N 2.94Å; Y153-N155 VanDerWaalsContact C-N 3.32Å; Y153-N155 PolarHBondContact O-N 3.25Å; N155-L157 PolarHBondContact O-N 3.46Å; N155-I158 PolarHBondContact O-N 3.35Å; N155-D159 WeakPolarHBondContact O-CB 3.27Å; N155-D159 PolarHBondContact O-N 3.2Å
156	S	86.7	Confident	78.4	Confident	60 Å²	60	47 Å²	47	42%	0.42	26%	0.264	S	S	.	.	H	α-helix	trans	-61.6	-33.6	176.6	80.2	0	0	0	0	112.7	G152 Y153 L154 S160	G152-S156 WeakPolarHBondContact O-CB 3.4Å; G152-S156 PolarHBondContact O-N 2.94Å; Y153-S156 WeakPolarHBondContact O-CB 3.36Å; Y153-S156 PolarHBondContact O-N 3.42Å; Y153-S156 VanDerWaalsContact O-N 3.11Å; Y153-S156 PolarHBondContact O-OG 3Å; L154-S156 VanDerWaalsContact C-N 3.32Å; L154-S156 PolarHBondContact O-N 3.44Å; S156-S160 VanDerWaalsContact O-CB 3.24Å; S156-S160 WeakPolarHBondContact O-CB 3.48Å; S156-S160 PolarHBondContact O-N 3.31Å
157	L	87.2	Confident	79.4	Confident	11 Å²	11	45.1 Å²	45.1	6%	0.058	26%	0.255	C	S	.	.	H	α-helix	trans	-71.8	-43.9	175.5	-64.9	175.1	0	0	0	111.6	K48 I49 Y153 L154 N155 S160 R161	K48-L157 HydrophobicContact CB-CD1 3.7Å; K48-L157 HydrophobicContact CB-CD2 3.86Å; K48-L157 HydrophobicContact CB-CG 4.44Å; K48-L157 HydrophobicContact CD-CD2 3.84Å; I49-L157 HydrophobicContact CD1-CB 3.99Å; I49-L157 HydrophobicContact CG1-CB 3.62Å; I49-L157 HydrophobicContact CG1-CD1 4.08Å; I49-L157 HydrophobicContact CG1-CG 4.48Å; Y153-L157 HydrophobicContact CD1-CD1 4.02Å; Y153-L157 HydrophobicContact CE1-CD1 3.58Å; Y153-L157 HydrophobicContact CE1-CG 4.23Å; Y153-L157 HydrophobicContact CE2-CD2 4.28Å; Y153-L157 HydrophobicContact CE2-CG 4.39Å; Y153-L157 WeakPolarHBondContact O-CG 3.29Å; Y153-L157 PolarHBondContact O-N 2.95Å; L154-L157 WeakPolarHBondContact O-CB 3.24Å; L154-L157 PolarHBondContact O-N 2.67Å; L154-L157 VanDerWaalsContact O-N 3.08Å; N155-L157 PolarHBondContact O-N 3.46Å; L157-S160 WeakPolarHBondContact O-CB 3.34Å; L157-S160 PolarHBondContact O-N 2.81Å; L157-R161 WeakPolarHBondContact O-CB 3.34Å; L157-R161 PolarHBondContact O-N 3.06Å
158	I	84.4	Confident	80.5	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-48.5	176.1	-64.4	171.7	0	0	0	109.9	I49 I70 L77 L154 N155 S160 R161 I162	I49-I158 HydrophobicContact CD1-CG1 4.3Å; I70-I158 HydrophobicContact CB-CD1 4.48Å; I70-I158 HydrophobicContact CG1-CD1 4.15Å; I70-I158 HydrophobicContact CG2-CD1 4.39Å; L77-I158 HydrophobicContact CD1-CG2 3.61Å; L154-I158 HydrophobicContact CD1-CD1 4.28Å; L154-I158 HydrophobicContact CD1-CG1 4.35Å; L154-I158 HydrophobicContact CG-CD1 4.04Å; L154-I158 WeakPolarHBondContact O-CG1 3.45Å; L154-I158 PolarHBondContact O-N 2.78Å; N155-I158 PolarHBondContact O-N 3.35Å; I158-S160 VanDerWaalsContact C-N 3.34Å; I158-S160 PolarHBondContact O-N 3.33Å; I158-R161 WeakPolarHBondContact O-CB 3.5Å; I158-R161 PolarHBondContact O-N 2.65Å; I158-I162 HydrophobicContact CG2-CG1 4.48Å; I158-I162 WeakPolarHBondContact O-CB 3.4Å; I158-I162 VanDerWaalsContact O-CG1 3.28Å; I158-I162 WeakPolarHBondContact O-CG1 3.42Å; I158-I162 PolarHBondContact O-N 3.01Å
159	D	86.5	Confident	81.6	Confident	71 Å²	71	38 Å²	38	38%	0.38	22%	0.219	S	C	.	.	H	α-helix	trans	-59.4	-44.6	176.4	-77.8	-19.8	0	0	0	111.4	L77 N155 R161 I162 I163	L77-D159 WeakPolarHBondContact CD1-OD1 3.44Å; N155-D159 WeakPolarHBondContact O-CB 3.27Å; N155-D159 PolarHBondContact O-N 3.2Å; D159-R161 PolarHBondContact O-N 3.3Å; D159-I162 PolarHBondContact O-N 3.02Å; D159-I163 WeakPolarHBondContact O-CB 3.35Å; D159-I163 VanDerWaalsContact O-CG1 3.23Å; D159-I163 WeakPolarHBondContact O-CG1 3.15Å; D159-I163 PolarHBondContact O-N 3.45Å
160	S	88.2	Confident	82.8	Confident	40 Å²	40	39.5 Å²	39.5	28%	0.28	21%	0.212	S	C	.	.	H	α-helix	trans	-58.6	-48.7	176.8	-173.7	0	0	0	0	111.7	S156 L157 I158 I162 I163 N164	S156-S160 VanDerWaalsContact O-CB 3.24Å; S156-S160 WeakPolarHBondContact O-CB 3.48Å; S156-S160 PolarHBondContact O-N 3.31Å; L157-S160 WeakPolarHBondContact O-CB 3.34Å; L157-S160 PolarHBondContact O-N 2.81Å; I158-S160 VanDerWaalsContact C-N 3.34Å; I158-S160 PolarHBondContact O-N 3.33Å; S160-I162 VanDerWaalsContact C-N 3.33Å; S160-I162 PolarHBondContact O-N 2.83Å; S160-I163 PolarHBondContact O-N 3.4Å; S160-N164 VanDerWaalsContact O-CG 3.29Å; S160-N164 PolarHBondContact O-N 3.11Å; S160-N164 PolarHBondContact O-ND2 2.96Å
161	R	85.2	Confident	83.5	Confident	34 Å²	34	35.5 Å²	35.5	13%	0.128	19%	0.19	C	C	.	.	H	α-helix	trans	-53.4	-50.4	175.6	178.8	177.9	59.7	-151.8	-14	111.2	F42 A45 I49 N74 L157 I158 D159 N164 I165	F42-R161 HydrophobicContact CD2-CG 3.83Å; F42-R161 HydrophobicContact CE2-CG 3.41Å; F42-R161 VanDerWaalsContact CE2-CG 3.41Å; F42-R161 HydrophobicContact CZ-CG 4.28Å; A45-R161 HydrophobicContact CB-CB 4.39Å; I49-R161 HydrophobicContact CD1-CB 4.42Å; N74-R161 PolarHBondContact ND2-NH2 2.91Å; N74-R161 PolarHBondContact OD1-NH2 2.97Å; L157-R161 WeakPolarHBondContact O-CB 3.34Å; L157-R161 PolarHBondContact O-N 3.06Å; I158-R161 WeakPolarHBondContact O-CB 3.5Å; I158-R161 PolarHBondContact O-N 2.65Å; D159-R161 PolarHBondContact O-N 3.3Å; R161-N164 PolarHBondContact O-N 2.83Å; R161-I165 HydrophobicContact CG-CD1 4.41Å; R161-I165 WeakPolarHBondContact O-CG1 3.43Å; R161-I165 PolarHBondContact O-N 2.81Å; R161-I165 VanDerWaalsContact O-N 3.1Å
162	I	84.8	Confident	84	Confident	11 Å²	11	36.2 Å²	36.2	6%	0.056	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-42.2	-178.2	-72.2	-60.2	0	0	0	111.7	L77 N81 I158 D159 S160 N164 I165 Y166	L77-I162 HydrophobicContact CB-CB 4.41Å; L77-I162 HydrophobicContact CB-CD1 4.25Å; L77-I162 HydrophobicContact CB-CG1 3.87Å; L77-I162 HydrophobicContact CB-CG2 3.81Å; L77-I162 HydrophobicContact CD1-CG1 4.07Å; N81-I162 VanDerWaalsContact CG-CG2 3.45Å; N81-I162 WeakPolarHBondContact ND2-CG2 3.43Å; N81-I162 PolarHBondContact ND2-O 3.48Å; I158-I162 HydrophobicContact CG2-CG1 4.48Å; I158-I162 WeakPolarHBondContact O-CB 3.4Å; I158-I162 VanDerWaalsContact O-CG1 3.28Å; I158-I162 WeakPolarHBondContact O-CG1 3.42Å; I158-I162 PolarHBondContact O-N 3.01Å; D159-I162 PolarHBondContact O-N 3.02Å; S160-I162 VanDerWaalsContact C-N 3.33Å; S160-I162 PolarHBondContact O-N 2.83Å; I162-N164 VanDerWaalsContact C-N 3.35Å; I162-N164 PolarHBondContact O-N 2.97Å; I162-I165 HydrophobicContact CD1-CD1 4.43Å; I162-I165 PolarHBondContact O-N 3.42Å; I162-Y166 PolarHBondContact O-N 3.04Å
163	I	87.2	Confident	84.3	Confident	95 Å²	95	35 Å²	35	49%	0.487	18%	0.18	S	C	.	.	H	α-helix	trans	-64	-40.5	177.1	-72.5	166.8	0	0	0	111.2	D159 S160 Y166 G167	D159-I163 WeakPolarHBondContact O-CB 3.35Å; D159-I163 VanDerWaalsContact O-CG1 3.23Å; D159-I163 WeakPolarHBondContact O-CG1 3.15Å; D159-I163 PolarHBondContact O-N 3.45Å; S160-I163 PolarHBondContact O-N 3.4Å; I163-Y166 WeakPolarHBondContact O-CB 3.47Å; I163-Y166 PolarHBondContact O-N 2.82Å; I163-G167 PolarHBondContact O-N 3.11Å
164	N	83.7	Confident	84.4	Confident	11 Å²	11	31.8 Å²	31.8	6%	0.059	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-44.4	176.8	-70.6	-41	0	0	0	111.2	S41 F42 S160 R161 I162 Y166 G167 I168	S41-N164 VanDerWaalsContact C-ND2 3.32Å; S41-N164 WeakPolarHBondContact CB-ND2 3.37Å; S41-N164 PolarHBondContact OG-ND2 3.39Å; S41-N164 PolarHBondContact OG-OD1 2.71Å; F42-N164 HydrophobicContact CB-CB 3.87Å; F42-N164 HydrophobicContact CD2-CB 4.32Å; F42-N164 PolarHBondContact N-ND2 2.99Å; S160-N164 VanDerWaalsContact O-CG 3.29Å; S160-N164 PolarHBondContact O-N 3.11Å; S160-N164 PolarHBondContact O-ND2 2.96Å; R161-N164 PolarHBondContact O-N 2.83Å; I162-N164 VanDerWaalsContact C-N 3.35Å; I162-N164 PolarHBondContact O-N 2.97Å; N164-Y166 VanDerWaalsContact C-N 3.34Å; N164-Y166 PolarHBondContact O-N 2.02Å; N164-G167 PolarHBondContact O-N 2.89Å; N164-I168 WeakPolarHBondContact O-CD1 3.44Å; N164-I168 VanDerWaalsContact O-CG1 3.25Å; N164-I168 WeakPolarHBondContact O-CG1 3.43Å; N164-I168 PolarHBondContact O-N 3.25Å
165	I	80.6	Confident	84.5	Confident	49 Å²	49	33.4 Å²	33.4	25%	0.251	18%	0.177	S	C	.	.	H	α-helix	trans	-57	-47.8	173.7	-68.6	168.2	0	0	0	110.9	F42 R161 I162 G167 I168 N169	F42-I165 HydrophobicContact CD2-CD1 4.48Å; F42-I165 HydrophobicContact CD2-CG1 3.9Å; F42-I165 HydrophobicContact CE2-CD1 3.73Å; F42-I165 HydrophobicContact CE2-CG1 3.57Å; R161-I165 HydrophobicContact CG-CD1 4.41Å; R161-I165 WeakPolarHBondContact O-CG1 3.43Å; R161-I165 PolarHBondContact O-N 2.81Å; R161-I165 VanDerWaalsContact O-N 3.1Å; I162-I165 HydrophobicContact CD1-CD1 4.43Å; I162-I165 PolarHBondContact O-N 3.42Å; I165-G167 VanDerWaalsContact C-N 3.34Å; I165-G167 PolarHBondContact O-N 3.28Å; I165-I168 PolarHBondContact O-N 2.84Å; I165-N169 WeakPolarHBondContact CG2-ND2 3.3Å; I165-N169 WeakPolarHBondContact O-CB 3.32Å; I165-N169 PolarHBondContact O-N 3.33Å; I165-N169 PolarHBondContact O-ND2 2.88Å; I165-N169 VanDerWaalsContact O-ND2 3.17Å
166	Y	85.2	Confident	84.5	Confident	24 Å²	24	36 Å²	36	9%	0.094	19%	0.186	C	C	.	.	H	α-helix	trans	-55.8	-49.2	177.6	161.5	-93.3	0	0	0	111.2	K84 L85 E88 I162 I163 N164 N169 R170	K84-Y166 HydrophobicContact CB-CD2 4.36Å; K84-Y166 HydrophobicContact CB-CE2 4.03Å; K84-Y166 HydrophobicContact CD-CD2 3.98Å; K84-Y166 HydrophobicContact CD-CE1 4.49Å; K84-Y166 HydrophobicContact CD-CE2 3.55Å; K84-Y166 WeakPolarHBondContact CE-OH 3.37Å; K84-Y166 HydrophobicContact CG-CD2 4.24Å; K84-Y166 HydrophobicContact CG-CE2 3.55Å; L85-Y166 HydrophobicContact CD2-CD2 3.55Å; L85-Y166 HydrophobicContact CD2-CE2 3.88Å; L85-Y166 HydrophobicContact CD2-CG 4.35Å; L85-Y166 WeakPolarHBondContact CD2-O 3.5Å; L85-Y166 HydrophobicContact CG-CD2 3.76Å; L85-Y166 HydrophobicContact CG-CE2 4.25Å; E88-Y166 HydrophobicContact CG-CE2 4.3Å; E88-Y166 VanDerWaalsContact CG-OH 3.3Å; E88-Y166 WeakPolarHBondContact CG-OH 3.44Å; I162-Y166 PolarHBondContact O-N 3.04Å; I163-Y166 WeakPolarHBondContact O-CB 3.47Å; I163-Y166 PolarHBondContact O-N 2.82Å; N164-Y166 VanDerWaalsContact C-N 3.34Å; N164-Y166 PolarHBondContact O-N 2.02Å; Y166-N169 PolarHBondContact O-N 3.23Å; Y166-R170 WeakPolarHBondContact O-CB 3.33Å; Y166-R170 PolarHBondContact O-N 2.92Å
167	G	82.7	Confident	84.3	Confident	2 Å²	2	33.5 Å²	33.5	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-68.1	-38.6	-177.8	0	0	0	0	0	113.6	M38 I163 N164 I165 N169 R170 M171	M38-G167 WeakPolarHBondContact SD-CA 3.43Å; I163-G167 PolarHBondContact O-N 3.11Å; N164-G167 PolarHBondContact O-N 2.89Å; I165-G167 VanDerWaalsContact C-N 3.34Å; I165-G167 PolarHBondContact O-N 3.28Å; G167-N169 PolarHBondContact O-N 3.32Å; G167-R170 PolarHBondContact O-N 3.09Å; G167-M171 WeakPolarHBondContact O-CG 3.48Å; G167-M171 PolarHBondContact O-N 3.23Å
168	I	82.5	Confident	84.1	Confident	28 Å²	28	33 Å²	33	14%	0.144	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-47.7	174.2	-68.5	163.4	0	0	0	110.3	I35 M38 I39 N164 I165 S172	I35-I168 HydrophobicContact CG2-CG2 4.45Å; M38-I168 HydrophobicContact CB-CD1 4.08Å; M38-I168 HydrophobicContact CB-CG1 3.67Å; M38-I168 HydrophobicContact SD-CG1 4.33Å; I39-I168 HydrophobicContact CG1-CD1 3.84Å; I39-I168 HydrophobicContact CG1-CG1 4.42Å; N164-I168 WeakPolarHBondContact O-CD1 3.44Å; N164-I168 VanDerWaalsContact O-CG1 3.25Å; N164-I168 WeakPolarHBondContact O-CG1 3.43Å; N164-I168 PolarHBondContact O-N 3.25Å; I165-I168 PolarHBondContact O-N 2.84Å; I168-S172 WeakPolarHBondContact O-CB 3.43Å; I168-S172 PolarHBondContact O-N 3.03Å; I168-S172 PolarHBondContact O-OG 3.49Å
169	N	79	Confident	84.1	Confident	12 Å²	12	34.7 Å²	34.7	6%	0.064	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-43.9	179.1	-80	-41.5	0	0	0	112.1	L85 I165 Y166 G167 S172 F173 T286	L85-N169 HydrophobicContact CD1-CB 3.88Å; L85-N169 HydrophobicContact CD2-CB 3.76Å; I165-N169 WeakPolarHBondContact CG2-ND2 3.3Å; I165-N169 WeakPolarHBondContact O-CB 3.32Å; I165-N169 PolarHBondContact O-N 3.33Å; I165-N169 PolarHBondContact O-ND2 2.88Å; I165-N169 VanDerWaalsContact O-ND2 3.17Å; Y166-N169 PolarHBondContact O-N 3.23Å; G167-N169 PolarHBondContact O-N 3.32Å; N169-S172 PolarHBondContact O-N 3.15Å; N169-F173 WeakPolarHBondContact O-CB 3.45Å; N169-F173 PolarHBondContact O-N 2.89Å; N169-T286 HydrophobicContact CB-CG2 4.24Å
170	R	86.7	Confident	84	Confident	73 Å²	73	33.2 Å²	33.2	28%	0.275	17%	0.168	S	C	.	.	H	α-helix	trans	-58.7	-53.3	177.1	-176.8	176.7	-178.9	-120.1	0.5	111.9	L85 E88 Y166 G167 S172 F173 E174	L85-R170 HydrophobicContact CD2-CB 4.31Å; E88-R170 IonicContact OE2-CZ 2.71Å; E88-R170 VanDerWaalsContact OE2-CZ 3.31Å; E88-R170 IonicContact OE2-NE 3.38Å; E88-R170 PolarHBondContact OE2-NE 3.26Å; E88-R170 IonicContact OE2-NH2 3.71Å; E88-R170 PolarHBondContact OE2-NH2 2.92Å; Y166-R170 WeakPolarHBondContact O-CB 3.33Å; Y166-R170 PolarHBondContact O-N 2.92Å; G167-R170 PolarHBondContact O-N 3.09Å; R170-S172 VanDerWaalsContact C-N 3.34Å; R170-S172 PolarHBondContact O-N 3.31Å; R170-F173 PolarHBondContact O-N 3.3Å; R170-E174 PolarHBondContact O-N 2.97Å
171	M	85.1	Confident	83.6	Confident	16 Å²	16	31.3 Å²	31.3	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-67.9	-34.5	-178.9	-65.5	-54	157.4	0	0	112.8	N31 Y34 I35 G167 F173 E174 N175	N31-M171 HydrophobicContact CB-CB 4.35Å; N31-M171 PolarHBondContact OD1-SD 3.44Å; Y34-M171 HydrophobicContact CD1-CE 3.99Å; Y34-M171 HydrophobicContact CD1-CG 3.5Å; Y34-M171 HydrophobicContact CD1-SD 4.32Å; Y34-M171 HydrophobicContact CE1-CE 3.75Å; Y34-M171 HydrophobicContact CE1-CG 3.94Å; Y34-M171 HydrophobicContact CG-CG 4.41Å; I35-M171 HydrophobicContact CD1-CB 3.74Å; I35-M171 HydrophobicContact CG1-CB 3.61Å; I35-M171 HydrophobicContact CG1-CG 4.41Å; G167-M171 WeakPolarHBondContact O-CG 3.48Å; G167-M171 PolarHBondContact O-N 3.23Å; M171-F173 VanDerWaalsContact C-N 3.33Å; M171-E174 PolarHBondContact O-N 3.48Å; M171-N175 WeakPolarHBondContact O-CB 3.45Å; M171-N175 VanDerWaalsContact O-CG 3.3Å; M171-N175 PolarHBondContact O-N 2.97Å
172	S	82.3	Confident	83.7	Confident	41 Å²	41	30.7 Å²	30.7	29%	0.287	16%	0.158	S	C	.	.	H	α-helix	trans	-63.8	-41.4	174.5	-63	0	0	0	0	111.4	I168 N169 R170 N175 K176	I168-S172 WeakPolarHBondContact O-CB 3.43Å; I168-S172 PolarHBondContact O-N 3.03Å; I168-S172 PolarHBondContact O-OG 3.49Å; N169-S172 PolarHBondContact O-N 3.15Å; R170-S172 VanDerWaalsContact C-N 3.34Å; R170-S172 PolarHBondContact O-N 3.31Å; S172-N175 PolarHBondContact O-N 3.01Å; S172-K176 PolarHBondContact O-N 3.28Å
173	F	84.3	Confident	83.7	Confident	20 Å²	20	35.6 Å²	35.6	9%	0.088	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-43.9	174.8	-179.3	-94.8	0	0	0	112.2	F89 T92 I93 F114 N169 R170 M171 N175 K176 C177	F89-F173 HydrophobicContact CB-CD1 3.95Å; F89-F173 HydrophobicContact CB-CE1 3.67Å; F89-F173 HydrophobicContact CB-CE2 4.29Å; F89-F173 HydrophobicContact CB-CG 4.39Å; F89-F173 HydrophobicContact CB-CZ 3.85Å; F89-F173 HydrophobicContact CD1-CB 3.67Å; F89-F173 AromaticContact CD1-CD1 3.4Å; F89-F173 HydrophobicContact CD1-CD1 3.4Å; F89-F173 VanDerWaalsContact CD1-CD1 3.4Å; F89-F173 HydrophobicContact CD1-CD2 4.05Å; F89-F173 HydrophobicContact CD1-CE1 4.06Å; F89-F173 AromaticContact CD1-CG 3.4Å; F89-F173 HydrophobicContact CD1-CG 3.4Å; F89-F173 HydrophobicContact CD2-CD2 4.1Å; F89-F173 HydrophobicContact CD2-CE2 4.31Å; F89-F173 HydrophobicContact CD2-CG 4.29Å; F89-F173 HydrophobicContact CE1-CB 3.35Å; F89-F173 HydrophobicContact CE1-CD1 4.05Å; F89-F173 HydrophobicContact CE1-CD2 4.22Å; F89-F173 AromaticContact CE1-CG 3.61Å; F89-F173 HydrophobicContact CE1-CG 3.61Å; F89-F173 HydrophobicContact CE2-CD2 4.28Å; F89-F173 HydrophobicContact CE2-CG 4.45Å; F89-F173 HydrophobicContact CG-CB 4.45Å; F89-F173 AromaticContact CG-CD1 3.77Å; F89-F173 HydrophobicContact CG-CD1 3.77Å; F89-F173 AromaticContact CG-CD2 3.98Å; F89-F173 HydrophobicContact CG-CD2 3.98Å; F89-F173 AromaticContact CG-CE1 3.98Å; F89-F173 HydrophobicContact CG-CE1 3.98Å; F89-F173 HydrophobicContact CG-CE2 4.18Å; F89-F173 AromaticContact CG-CG 3.78Å; F89-F173 HydrophobicContact CG-CG 3.78Å; F89-F173 HydrophobicContact CG-CZ 4.18Å; F89-F173 HydrophobicContact CZ-CB 3.9Å; F89-F173 HydrophobicContact CZ-CD2 4.33Å; F89-F173 HydrophobicContact CZ-CG 4.14Å; F89-F173 WeakPolarHBondContact O-CE1 3.05Å; T92-F173 HydrophobicContact CG2-CD1 4.11Å; T92-F173 HydrophobicContact CG2-CE1 4.22Å; I93-F173 HydrophobicContact CD1-CE1 4.44Å; I93-F173 HydrophobicContact CD1-CZ 3.87Å; I93-F173 HydrophobicContact CG1-CE1 3.95Å; I93-F173 HydrophobicContact CG1-CZ 3.81Å; F114-F173 AromaticContact CE2-CE2 3.92Å; F114-F173 HydrophobicContact CE2-CE2 3.92Å; F114-F173 AromaticContact CE2-CZ 3.76Å; F114-F173 HydrophobicContact CE2-CZ 3.76Å; F114-F173 AromaticContact CZ-CE2 3.82Å; F114-F173 HydrophobicContact CZ-CE2 3.82Å; F114-F173 HydrophobicContact CZ-CZ 4.16Å; N169-F173 WeakPolarHBondContact O-CB 3.45Å; N169-F173 PolarHBondContact O-N 2.89Å; R170-F173 PolarHBondContact O-N 3.3Å; M171-F173 VanDerWaalsContact C-N 3.33Å; F173-N175 VanDerWaalsContact C-N 3.34Å; F173-N175 PolarHBondContact O-N 3.38Å; F173-K176 WeakPolarHBondContact O-CA 3.11Å; F173-K176 WeakPolarHBondContact O-CB 3.13Å; F173-K176 PolarHBondContact O-N 3.48Å; F173-K176 VanDerWaalsContact O-N 3.07Å; F173-C177 PolarHBondContact O-N 3.44Å
174	E	85.8	Confident	83.6	Confident	23 Å²	23	34.3 Å²	34.3	11%	0.107	17%	0.17	C	C	.	.	H	α-helix	trans	-57.5	-47.3	174.9	-170.7	-173.4	137.4	0	0	111.1	N31 T92 R170 M171 K176 C177 L178	N31-E174 VanDerWaalsContact ND2-CD 3.25Å; N31-E174 PolarHBondContact ND2-OE1 3.18Å; T92-E174 HydrophobicContact CG2-CB 3.9Å; T92-E174 HydrophobicContact CG2-CG 3.87Å; R170-E174 PolarHBondContact O-N 2.97Å; M171-E174 PolarHBondContact O-N 3.48Å; E174-K176 PolarHBondContact O-N 2.92Å; E174-C177 WeakPolarHBondContact O-CB 3.44Å; E174-C177 PolarHBondContact O-N 2.84Å; E174-C177 VanDerWaalsContact O-N 3.08Å; E174-L178 HydrophobicContact CG-CD1 4.16Å; E174-L178 HydrophobicContact CG-CG 4.44Å; E174-L178 WeakPolarHBondContact O-CB 2.82Å; E174-L178 VanDerWaalsContact O-CG 3.31Å; E174-L178 WeakPolarHBondContact O-CG 3.26Å; E174-L178 PolarHBondContact O-N 3.49Å
175	N	84.6	Confident	83.6	Confident	36 Å²	36	33.8 Å²	33.8	19%	0.193	17%	0.168	C	C	.	.	H	α-helix	trans	-58	-38	175.1	-75.2	-16.3	0	0	0	112.5	W28 N31 M171 S172 F173 S179	W28-N175 VanDerWaalsContact CD1-OD1 3.27Å; W28-N175 PolarHBondContact NE1-O 3.01Å; N31-N175 WeakPolarHBondContact CB-OD1 3.27Å; N31-N175 PolarHBondContact ND2-OD1 3.28Å; M171-N175 WeakPolarHBondContact O-CB 3.45Å; M171-N175 VanDerWaalsContact O-CG 3.3Å; M171-N175 PolarHBondContact O-N 2.97Å; S172-N175 PolarHBondContact O-N 3.01Å; F173-N175 VanDerWaalsContact C-N 3.34Å; F173-N175 PolarHBondContact O-N 3.38Å; N175-S179 WeakPolarHBondContact O-CB 3.5Å; N175-S179 PolarHBondContact O-N 3.21Å
176	K	82.4	Confident	83.8	Confident	97 Å²	97	33.4 Å²	33.4	42%	0.422	17%	0.169	S	C	.	.	H	α-helix	trans	-66.2	-43.8	175.1	-173.2	66.9	175.5	-167.3	0	111.7	S172 F173 E174 S179 E180	S172-K176 PolarHBondContact O-N 3.28Å; F173-K176 WeakPolarHBondContact O-CA 3.11Å; F173-K176 WeakPolarHBondContact O-CB 3.13Å; F173-K176 PolarHBondContact O-N 3.48Å; F173-K176 VanDerWaalsContact O-N 3.07Å; E174-K176 PolarHBondContact O-N 2.92Å; K176-S179 WeakPolarHBondContact O-CB 3.21Å; K176-S179 PolarHBondContact O-N 3.45Å; K176-E180 PolarHBondContact O-N 3.45Å
177	C	81.6	Confident	83.6	Confident	9 Å²	9	37.3 Å²	37.3	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-51	175.6	-171.4	0	0	0	0	110.8	F173 E174 S179 E180 I181	F173-C177 PolarHBondContact O-N 3.44Å; E174-C177 WeakPolarHBondContact O-CB 3.44Å; E174-C177 PolarHBondContact O-N 2.84Å; E174-C177 VanDerWaalsContact O-N 3.08Å; C177-S179 PolarHBondContact O-N 3.38Å; C177-E180 PolarHBondContact O-N 3.26Å; C177-I181 WeakPolarHBondContact O-CG1 3.49Å; C177-I181 PolarHBondContact O-N 3.25Å
178	L	84.4	Confident	83.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-55.9	-35.3	175.2	-71.8	173.1	0	0	0	112.6	I24 K27 W28 E96 Y100 E174 I181 A182	I24-L178 HydrophobicContact CG1-CD2 4.19Å; I24-L178 HydrophobicContact CG2-CB 4.17Å; I24-L178 HydrophobicContact CG2-CD2 4.49Å; K27-L178 HydrophobicContact CB-CD1 3.76Å; K27-L178 HydrophobicContact CD-CD1 4.14Å; K27-L178 HydrophobicContact CD-CD2 4.09Å; W28-L178 HydrophobicContact CZ2-CB 4.44Å; W28-L178 VanDerWaalsContact NE1-CB 3.3Å; E96-L178 WeakPolarHBondContact OE2-CD2 3.16Å; Y100-L178 HydrophobicContact CE2-CD2 3.56Å; E174-L178 HydrophobicContact CG-CD1 4.16Å; E174-L178 HydrophobicContact CG-CG 4.44Å; E174-L178 WeakPolarHBondContact O-CB 2.82Å; E174-L178 VanDerWaalsContact O-CG 3.31Å; E174-L178 WeakPolarHBondContact O-CG 3.26Å; E174-L178 PolarHBondContact O-N 3.49Å; L178-I181 PolarHBondContact O-N 2.81Å; L178-A182 VanDerWaalsContact O-CB 3.26Å; L178-A182 WeakPolarHBondContact O-CB 3.02Å; L178-A182 PolarHBondContact O-N 3.31Å
179	S	83.9	Confident	82.8	Confident	37 Å²	37	40.4 Å²	40.4	26%	0.259	20%	0.204	S	C	.	.	H	α-helix	trans	-66.2	-40.8	174.3	-174.4	0	0	0	0	113.1	N175 K176 C177 A182 K183	N175-S179 WeakPolarHBondContact O-CB 3.5Å; N175-S179 PolarHBondContact O-N 3.21Å; K176-S179 WeakPolarHBondContact O-CB 3.21Å; K176-S179 PolarHBondContact O-N 3.45Å; C177-S179 PolarHBondContact O-N 3.38Å; S179-A182 PolarHBondContact O-N 3.07Å; S179-K183 VanDerWaalsContact O-CG 3.29Å; S179-K183 WeakPolarHBondContact O-CG 3.44Å; S179-K183 PolarHBondContact O-N 3.48Å; S179-K183 VanDerWaalsContact O-N 3.08Å
180	E	83	Confident	82.5	Confident	39 Å²	39	46 Å²	46	18%	0.182	23%	0.228	C	C	.	.	H	α-helix	trans	-68.6	-39.1	174.9	-64	-62.1	122.6	0	0	111.3	L104 K176 C177 K183 E184	L104-E180 HydrophobicContact CD1-CB 3.96Å; L104-E180 HydrophobicContact CD2-CB 4.35Å; K176-E180 PolarHBondContact O-N 3.45Å; C177-E180 PolarHBondContact O-N 3.26Å; E180-K183 PolarHBondContact O-N 3.02Å; E180-K183 IonicContact OE1-NZ 3.75Å; E180-K183 PolarHBondContact OE1-NZ 3.31Å; E180-E184 PolarHBondContact O-N 2.96Å; E180-E184 VanDerWaalsContact O-N 3.07Å
181	I	81.8	Confident	81.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-46.6	172.9	-65.3	179.4	0	0	0	110.8	I24 E96 Y100 I102 L104 C177 L178 K183 E184 I185	I24-I181 HydrophobicContact CD1-CG2 3.96Å; E96-I181 HydrophobicContact CB-CD1 3.54Å; Y100-I181 HydrophobicContact CD2-CD1 3.89Å; Y100-I181 HydrophobicContact CD2-CG2 3.79Å; Y100-I181 HydrophobicContact CG-CG2 3.82Å; I102-I181 HydrophobicContact CD1-CG2 3.85Å; L104-I181 HydrophobicContact CD1-CG1 3.89Å; L104-I181 HydrophobicContact CD2-CG1 4.34Å; L104-I181 HydrophobicContact CG-CG1 4.3Å; C177-I181 WeakPolarHBondContact O-CG1 3.49Å; C177-I181 PolarHBondContact O-N 3.25Å; L178-I181 PolarHBondContact O-N 2.81Å; I181-K183 VanDerWaalsContact C-N 3.28Å; I181-K183 PolarHBondContact O-N 3.3Å; I181-E184 PolarHBondContact O-N 2.83Å; I181-E184 VanDerWaalsContact O-N 3.08Å; I181-I185 HydrophobicContact CG2-CD1 3.81Å; I181-I185 HydrophobicContact CG2-CG1 4.29Å; I181-I185 WeakPolarHBondContact O-CG1 2.99Å; I181-I185 PolarHBondContact O-N 3.08Å
182	A	87.1	Confident	80.5	Confident	22 Å²	22	46.3 Å²	46.3	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-38.9	178.6	0	0	0	0	0	112.3	I24 W28 L178 S179 S186	I24-A182 HydrophobicContact CD1-CB 4.09Å; I24-A182 HydrophobicContact CG2-CB 4.38Å; W28-A182 HydrophobicContact CH2-CB 4.08Å; W28-A182 HydrophobicContact CZ2-CB 4.33Å; L178-A182 VanDerWaalsContact O-CB 3.26Å; L178-A182 WeakPolarHBondContact O-CB 3.02Å; L178-A182 PolarHBondContact O-N 3.31Å; S179-A182 PolarHBondContact O-N 3.07Å; A182-S186 WeakPolarHBondContact O-CB 3.33Å; A182-S186 PolarHBondContact O-N 2.75Å
183	K	84.7	Confident	79.4	Confident	114 Å²	114	48 Å²	48	50%	0.496	24%	0.243	S	C	.	.	H	α-helix	trans	-62.9	-43.9	173.8	-71.8	169.3	-168.7	171.4	0	111.5	S179 E180 I181 S186 H187	S179-K183 VanDerWaalsContact O-CG 3.29Å; S179-K183 WeakPolarHBondContact O-CG 3.44Å; S179-K183 PolarHBondContact O-N 3.48Å; S179-K183 VanDerWaalsContact O-N 3.08Å; E180-K183 PolarHBondContact O-N 3.02Å; E180-K183 IonicContact OE1-NZ 3.75Å; E180-K183 PolarHBondContact OE1-NZ 3.31Å; I181-K183 VanDerWaalsContact C-N 3.28Å; I181-K183 PolarHBondContact O-N 3.3Å; K183-S186 PolarHBondContact O-N 3.3Å; K183-H187 PolarHBondContact O-N 3.05Å
184	E	85.2	Confident	78.1	Confident	67 Å²	67	54.2 Å²	54.2	31%	0.313	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-44.4	178.2	-170.8	55	-140.6	0	0	111.6	I102 L104 E180 I181 S186 H187 Q188	I102-E184 HydrophobicContact CG2-CB 4.21Å; I102-E184 HydrophobicContact CG2-CG 3.83Å; L104-E184 HydrophobicContact CD2-CB 4.12Å; E180-E184 PolarHBondContact O-N 2.96Å; E180-E184 VanDerWaalsContact O-N 3.07Å; I181-E184 PolarHBondContact O-N 2.83Å; I181-E184 VanDerWaalsContact O-N 3.08Å; E184-S186 VanDerWaalsContact C-N 3.32Å; E184-S186 PolarHBondContact O-N 3.2Å; E184-H187 WeakPolarHBondContact O-CB 3.36Å; E184-H187 PolarHBondContact O-N 3.38Å; E184-H187 VanDerWaalsContact O-N 3.13Å; E184-Q188 WeakPolarHBondContact O-CG 3.43Å; E184-Q188 PolarHBondContact O-N 3.39Å
185	I	83.6	Confident	76.5	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-57.8	-45.5	173.2	-66.4	171.5	0	0	0	110.9	I17 K20 Q21 I24 Y100 I102 I181 H187 Q188 S189	I17-I185 HydrophobicContact CG1-CG2 4.5Å; I17-I185 HydrophobicContact CG2-CG2 3.81Å; K20-I185 HydrophobicContact CB-CD1 3.83Å; K20-I185 HydrophobicContact CD-CD1 4.42Å; Q21-I185 HydrophobicContact CG-CG2 4.05Å; I24-I185 HydrophobicContact CD1-CD1 3.55Å; Y100-I185 HydrophobicContact CD1-CD1 4.42Å; I102-I185 HydrophobicContact CD1-CB 4.4Å; I102-I185 HydrophobicContact CD1-CD1 3.83Å; I102-I185 HydrophobicContact CD1-CG1 3.13Å; I181-I185 HydrophobicContact CG2-CD1 3.81Å; I181-I185 HydrophobicContact CG2-CG1 4.29Å; I181-I185 WeakPolarHBondContact O-CG1 2.99Å; I181-I185 PolarHBondContact O-N 3.08Å; I185-H187 VanDerWaalsContact C-N 3.3Å; I185-H187 PolarHBondContact O-N 2.95Å; I185-Q188 PolarHBondContact O-N 3.47Å; I185-S189 PolarHBondContact O-N 3.1Å
186	S	83.2	Confident	75.1	Confident	41 Å²	41	61.7 Å²	61.7	29%	0.287	30%	0.298	S	S	.	.	H	α-helix	trans	-62	-39.1	177.6	-173.3	0	0	0	0	111.7	A182 K183 E184 S189 K190	A182-S186 WeakPolarHBondContact O-CB 3.33Å; A182-S186 PolarHBondContact O-N 2.75Å; K183-S186 PolarHBondContact O-N 3.3Å; E184-S186 VanDerWaalsContact C-N 3.32Å; E184-S186 PolarHBondContact O-N 3.2Å; S186-S189 WeakPolarHBondContact O-CB 3.49Å; S186-S189 PolarHBondContact O-N 2.66Å; S186-K190 WeakPolarHBondContact O-CG 3.45Å; S186-K190 PolarHBondContact O-N 2.98Å
187	H	80.9	Confident	73.8	Confident	106 Å²	106	61.8 Å²	61.8	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-65	-43.3	174.8	-175.2	-93	0	0	0	112	K183 E184 I185 S189 K190 T191	K183-H187 PolarHBondContact O-N 3.05Å; E184-H187 WeakPolarHBondContact O-CB 3.36Å; E184-H187 PolarHBondContact O-N 3.38Å; E184-H187 VanDerWaalsContact O-N 3.13Å; I185-H187 VanDerWaalsContact C-N 3.3Å; I185-H187 PolarHBondContact O-N 2.95Å; H187-S189 PolarHBondContact O-N 3.27Å; H187-K190 PolarHBondContact O-N 3.12Å; H187-T191 WeakPolarHBondContact O-CG2 3.47Å; H187-T191 PolarHBondContact O-N 3.39Å; H187-T191 PolarHBondContact O-OG1 3.3Å
188	Q	76.1	Confident	72.5	Confident	69 Å²	69	66.1 Å²	66.1	32%	0.322	33%	0.328	S	S	.	.	H	α-helix	trans	-60.1	-43.9	173.7	-69.1	177.9	12.4	0	0	111.6	E184 I185 K190 T191 L192	E184-Q188 WeakPolarHBondContact O-CG 3.43Å; E184-Q188 PolarHBondContact O-N 3.39Å; I185-Q188 PolarHBondContact O-N 3.47Å; Q188-K190 PolarHBondContact O-N 3.01Å; Q188-T191 WeakPolarHBondContact CA-OG1 3.34Å; Q188-T191 PolarHBondContact O-N 3.46Å; Q188-T191 PolarHBondContact O-OG1 3.08Å; Q188-L192 WeakPolarHBondContact O-CB 3.42Å; Q188-L192 WeakPolarHBondContact O-CD1 3.28Å; Q188-L192 WeakPolarHBondContact O-CG 3.37Å; Q188-L192 PolarHBondContact O-N 2.88Å
189	S	73.7	Confident	71	Confident	25 Å²	25	69 Å²	69	18%	0.175	34%	0.343	C	S	.	.	H	α-helix	trans	-58.5	-45.7	174.5	-175.9	0	0	0	0	112.5	I185 S186 H187 T191 L192 N193	I185-S189 PolarHBondContact O-N 3.1Å; S186-S189 WeakPolarHBondContact O-CB 3.49Å; S186-S189 PolarHBondContact O-N 2.66Å; H187-S189 PolarHBondContact O-N 3.27Å; S189-T191 PolarHBondContact O-N 3.28Å; S189-L192 PolarHBondContact O-N 3.28Å; S189-N193 WeakPolarHBondContact O-CB 3.29Å; S189-N193 PolarHBondContact O-N 3.49Å; S189-N193 PolarHBondContact O-ND2 2.85Å
190	K	72.7	Confident	69.7	Low	131 Å²	131	74.3 Å²	74.3	57%	0.57	36%	0.361	S	S	*	.	H	α-helix	trans	-63.3	-40.1	177.9	-73.3	175.7	-175.4	178.8	0	112.4	S186 H187 Q188 K194	S186-K190 WeakPolarHBondContact O-CG 3.45Å; S186-K190 PolarHBondContact O-N 2.98Å; H187-K190 PolarHBondContact O-N 3.12Å; Q188-K190 PolarHBondContact O-N 3.01Å; K190-K194 WeakPolarHBondContact O-CG 3.27Å; K190-K194 PolarHBondContact O-N 3.3Å
191	T	68.5	Low	68.4	Low	64 Å²	64	78.4 Å²	78.4	39%	0.393	38%	0.379	S	S	.	.	H	α-helix	trans	-69.6	-39.7	178.2	54.8	0	0	0	0	111.9	H187 Q188 S189 K194 R195	H187-T191 WeakPolarHBondContact O-CG2 3.47Å; H187-T191 PolarHBondContact O-N 3.39Å; H187-T191 PolarHBondContact O-OG1 3.3Å; Q188-T191 WeakPolarHBondContact CA-OG1 3.34Å; Q188-T191 PolarHBondContact O-N 3.46Å; Q188-T191 PolarHBondContact O-OG1 3.08Å; S189-T191 PolarHBondContact O-N 3.28Å; T191-K194 PolarHBondContact O-N 3.41Å; T191-R195 WeakPolarHBondContact O-CB 3.44Å; T191-R195 PolarHBondContact O-N 2.83Å
192	L	61.5	Low	67	Low	30 Å²	30	83.6 Å²	83.6	16%	0.157	40%	0.403	C	S	.	.	H	α-helix	trans	-59.3	-46.9	171.6	-82.2	157.1	0	0	0	112	I17 Q188 S189 K194 R195 N196	I17-L192 HydrophobicContact CD1-CD1 3.51Å; Q188-L192 WeakPolarHBondContact O-CB 3.42Å; Q188-L192 WeakPolarHBondContact O-CD1 3.28Å; Q188-L192 WeakPolarHBondContact O-CG 3.37Å; Q188-L192 PolarHBondContact O-N 2.88Å; S189-L192 PolarHBondContact O-N 3.28Å; L192-K194 PolarHBondContact O-N 3.11Å; L192-R195 PolarHBondContact O-N 3.39Å; L192-N196 WeakPolarHBondContact O-CB 3.47Å; L192-N196 VanDerWaalsContact O-CG 3.23Å; L192-N196 PolarHBondContact O-N 3.35Å; L192-N196 PolarHBondContact O-ND2 2.84Å
193	N	59.3	Low	65.2	Low	77 Å²	77	87.3 Å²	87.3	41%	0.412	42%	0.416	S	S	.	.	H	α-helix	trans	-62.2	-43	177.2	-76.8	-24.7	0	0	0	112.2	S189 R195 N196 V197	S189-N193 WeakPolarHBondContact O-CB 3.29Å; S189-N193 PolarHBondContact O-N 3.49Å; S189-N193 PolarHBondContact O-ND2 2.85Å; N193-R195 PolarHBondContact O-N 3.49Å; N193-N196 PolarHBondContact O-N 3.05Å; N193-V197 VanDerWaalsContact O-CG2 3.3Å; N193-V197 WeakPolarHBondContact O-CG2 3.44Å; N193-V197 PolarHBondContact O-N 3.34Å
194	K	56.6	Low	63.8	Low	150 Å²	150	87.2 Å²	87.2	65%	0.652	42%	0.421	S	S	*	.	H	α-helix	trans	-61.2	-42.8	174	-75.5	-180	180	-178.4	0	112	K190 T191 L192 V197 L198	K190-K194 WeakPolarHBondContact O-CG 3.27Å; K190-K194 PolarHBondContact O-N 3.3Å; T191-K194 PolarHBondContact O-N 3.41Å; L192-K194 PolarHBondContact O-N 3.11Å; K194-V197 PolarHBondContact O-N 2.61Å; K194-L198 PolarHBondContact O-N 2.83Å
195	R	52	Low	62.1	Low	180 Å²	180	89 Å²	89	68%	0.679	43%	0.43	S	S	*	.	H	α-helix	trans	-63.8	-43.2	178.1	-148	-177.6	-139.7	163.4	4.4	111.4	T191 L192 N193 V197 L198 I199	T191-R195 WeakPolarHBondContact O-CB 3.44Å; T191-R195 PolarHBondContact O-N 2.83Å; L192-R195 PolarHBondContact O-N 3.39Å; N193-R195 PolarHBondContact O-N 3.49Å; R195-V197 VanDerWaalsContact C-N 3.29Å; R195-V197 PolarHBondContact O-N 3.43Å; R195-L198 PolarHBondContact O-N 3.45Å; R195-I199 HydrophobicContact CG-CD1 4.33Å; R195-I199 VanDerWaalsContact O-CG1 3.27Å; R195-I199 WeakPolarHBondContact O-CG1 3.42Å; R195-I199 PolarHBondContact O-N 3.09Å
196	N	54.9	Low	60.4	Low	37 Å²	37	92.6 Å²	92.6	20%	0.198	45%	0.451	C	S	.	.	H	α-helix	trans	-62.5	-35.5	175.6	-71.4	-20.4	0	0	0	112.3	L192 N193 K200	L192-N196 WeakPolarHBondContact O-CB 3.47Å; L192-N196 VanDerWaalsContact O-CG 3.23Å; L192-N196 PolarHBondContact O-N 3.35Å; L192-N196 PolarHBondContact O-ND2 2.84Å; N193-N196 PolarHBondContact O-N 3.05Å; N196-K200 WeakPolarHBondContact O-CB 3.46Å; N196-K200 VanDerWaalsContact O-CG 3.29Å; N196-K200 WeakPolarHBondContact O-CG 3.28Å; N196-K200 PolarHBondContact O-N 3.49Å; N196-K200 VanDerWaalsContact O-N 3.14Å
197	V	54.2	Low	58.5	Low	99 Å²	99	94.6 Å²	94.6	60%	0.6	46%	0.459	S	S	*	.	H	α-helix	trans	-70.5	-42.6	174.3	172.6	0	0	0	0	111.5	N193 K194 R195 K200 K201	N193-V197 VanDerWaalsContact O-CG2 3.3Å; N193-V197 WeakPolarHBondContact O-CG2 3.44Å; N193-V197 PolarHBondContact O-N 3.34Å; K194-V197 PolarHBondContact O-N 2.61Å; R195-V197 VanDerWaalsContact C-N 3.29Å; R195-V197 PolarHBondContact O-N 3.43Å; V197-K200 PolarHBondContact O-N 3.27Å; V197-K201 WeakPolarHBondContact O-CB 3.3Å; V197-K201 PolarHBondContact O-N 3.04Å
198	L	55.2	Low	56.5	Low	100 Å²	100	92.1 Å²	92.1	52%	0.524	46%	0.457	S	S	.	.	H	α-helix	trans	-62.4	-46.5	176.1	-103.7	119.5	0	0	0	112	K194 R195 K200 K201 E202	K194-L198 PolarHBondContact O-N 2.83Å; R195-L198 PolarHBondContact O-N 3.45Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 3.47Å; L198-K201 PolarHBondContact O-N 3.33Å; L198-E202 PolarHBondContact O-N 3.22Å
199	I	53.4	Low	55	Low	61 Å²	61	92.9 Å²	92.9	31%	0.313	47%	0.466	S	S	.	.	H	α-helix	trans	-60.8	-42.9	177.9	-67.1	164.9	0	0	0	110.6	R195 K201 H203	R195-I199 HydrophobicContact CG-CD1 4.33Å; R195-I199 VanDerWaalsContact O-CG1 3.27Å; R195-I199 WeakPolarHBondContact O-CG1 3.42Å; R195-I199 PolarHBondContact O-N 3.09Å; I199-K201 VanDerWaalsContact C-N 3.31Å; I199-K201 PolarHBondContact O-N 3.08Å; I199-H203 WeakPolarHBondContact O-CB 3Å; I199-H203 PolarHBondContact O-N 3.4Å
200	K	55.4	Low	53.4	Low	147 Å²	147	97 Å²	97	64%	0.639	48%	0.482	S	S	*	.	H	α-helix	trans	-63.9	-35.6	174.4	-77	178.5	-179.9	-177.4	0	112.3	N196 V197 L198 N204	N196-K200 WeakPolarHBondContact O-CB 3.46Å; N196-K200 VanDerWaalsContact O-CG 3.29Å; N196-K200 WeakPolarHBondContact O-CG 3.28Å; N196-K200 PolarHBondContact O-N 3.49Å; N196-K200 VanDerWaalsContact O-N 3.14Å; V197-K200 PolarHBondContact O-N 3.27Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 3.47Å; K200-N204 VanDerWaalsContact O-CB 3.29Å; K200-N204 WeakPolarHBondContact O-CB 3.44Å; K200-N204 PolarHBondContact O-N 3.38Å; K200-N204 PolarHBondContact O-ND2 2.89Å; K200-N204 PolarHBondContact O-OD1 3.49Å
201	K	55.7	Low	51.9	Low	126 Å²	126	96.7 Å²	96.7	55%	0.548	48%	0.483	S	S	.	.	H	α-helix	trans	-71.5	-46.3	178.4	-166.1	-176.1	176.2	-162.4	0	111.6	V197 L198 I199 H203 N204 E205	V197-K201 WeakPolarHBondContact O-CB 3.3Å; V197-K201 PolarHBondContact O-N 3.04Å; L198-K201 PolarHBondContact O-N 3.33Å; I199-K201 VanDerWaalsContact C-N 3.31Å; I199-K201 PolarHBondContact O-N 3.08Å; K201-H203 VanDerWaalsContact C-N 3.35Å; K201-H203 PolarHBondContact O-N 3.13Å; K201-N204 PolarHBondContact O-N 3.28Å; K201-E205 VanDerWaalsContact CE-OE1 3.28Å; K201-E205 WeakPolarHBondContact CE-OE1 3.24Å; K201-E205 IonicContact NZ-OE1 3.91Å; K201-E205 WeakPolarHBondContact O-CB 3.4Å; K201-E205 WeakPolarHBondContact O-CG 3.25Å; K201-E205 PolarHBondContact O-N 2.95Å
202	E	52.1	Low	50.6	Low	109 Å²	109	99.5 Å²	99.5	51%	0.509	49%	0.491	S	S	.	.	H	α-helix	trans	-62.4	-41	175.1	-74.6	178.3	176.1	0	0	111.3	L198 E205 V206	L198-E202 PolarHBondContact O-N 3.22Å; E202-E205 PolarHBondContact O-N 3.32Å; E202-V206 WeakPolarHBondContact O-CB 3.23Å; E202-V206 VanDerWaalsContact O-CG2 3.24Å; E202-V206 WeakPolarHBondContact O-CG2 3.39Å; E202-V206 PolarHBondContact O-N 2.85Å
203	H	51.2	Low	49.8	Very low	100 Å²	100	101.6 Å²	101.6	46%	0.463	51%	0.505	S	S	.	.	H	α-helix	trans	-66.9	-40.2	173.8	-91.7	47.9	0	0	0	112.6	I199 K201 E205 V206 D207	I199-H203 WeakPolarHBondContact O-CB 3Å; I199-H203 PolarHBondContact O-N 3.4Å; K201-H203 VanDerWaalsContact C-N 3.35Å; K201-H203 PolarHBondContact O-N 3.13Å; H203-E205 VanDerWaalsContact C-N 3.26Å; H203-E205 PolarHBondContact O-N 3.11Å; H203-V206 PolarHBondContact O-N 2.96Å; H203-D207 VanDerWaalsContact O-CB 3.29Å; H203-D207 WeakPolarHBondContact O-CB 3.38Å; H203-D207 PolarHBondContact O-N 3.14Å
204	N	53.9	Low	49	Very low	112 Å²	112	103 Å²	103	60%	0.599	51%	0.512	S	S	*	.	H	α-helix	trans	-64.2	-33.1	174.2	-72.3	-13.6	0	0	0	112	K200 K201 A208	K200-N204 VanDerWaalsContact O-CB 3.29Å; K200-N204 WeakPolarHBondContact O-CB 3.44Å; K200-N204 PolarHBondContact O-N 3.38Å; K200-N204 PolarHBondContact O-ND2 2.89Å; K200-N204 PolarHBondContact O-OD1 3.49Å; K201-N204 PolarHBondContact O-N 3.28Å; N204-A208 WeakPolarHBondContact O-CB 3.45Å; N204-A208 PolarHBondContact O-N 2.89Å
205	E	49	Very low	48	Very low	105 Å²	105	99.5 Å²	99.5	49%	0.491	50%	0.5	S	S	.	.	H	α-helix	trans	-72.3	-39.9	173.9	-75.8	174.8	-169.9	0	0	111.4	K201 E202 H203 A208 V209	K201-E205 VanDerWaalsContact CE-OE1 3.28Å; K201-E205 WeakPolarHBondContact CE-OE1 3.24Å; K201-E205 IonicContact NZ-OE1 3.91Å; K201-E205 WeakPolarHBondContact O-CB 3.4Å; K201-E205 WeakPolarHBondContact O-CG 3.25Å; K201-E205 PolarHBondContact O-N 2.95Å; E202-E205 PolarHBondContact O-N 3.32Å; H203-E205 VanDerWaalsContact C-N 3.26Å; H203-E205 PolarHBondContact O-N 3.11Å; E205-A208 PolarHBondContact O-N 2.96Å; E205-V209 WeakPolarHBondContact O-CB 3.41Å; E205-V209 WeakPolarHBondContact O-CG2 3.5Å; E205-V209 PolarHBondContact O-N 2.65Å
206	V	50	Low	47.4	Very low	76 Å²	76	96.2 Å²	96.2	46%	0.461	50%	0.496	S	S	.	.	H	α-helix	trans	-67.9	-42.1	175.2	172.9	0	0	0	0	111.6	E202 H203 V209 Q210	E202-V206 WeakPolarHBondContact O-CB 3.23Å; E202-V206 VanDerWaalsContact O-CG2 3.24Å; E202-V206 WeakPolarHBondContact O-CG2 3.39Å; E202-V206 PolarHBondContact O-N 2.85Å; H203-V206 PolarHBondContact O-N 2.96Å; V206-V209 PolarHBondContact O-N 2.9Å; V206-Q210 WeakPolarHBondContact O-CB 3.47Å; V206-Q210 WeakPolarHBondContact O-CG 3.24Å; V206-Q210 PolarHBondContact O-N 3.16Å
207	D	42.6	Very low	46.6	Very low	82 Å²	82	101.9 Å²	101.9	44%	0.439	52%	0.521	S	S	.	.	H	α-helix	trans	-68.3	-36.7	175.4	-75.3	-21.3	0	0	0	110.8	H203 H211	H203-D207 VanDerWaalsContact O-CB 3.29Å; H203-D207 WeakPolarHBondContact O-CB 3.38Å; H203-D207 PolarHBondContact O-N 3.14Å; D207-H211 VanDerWaalsContact O-CB 3.24Å; D207-H211 WeakPolarHBondContact O-CB 3.3Å; D207-H211 PolarHBondContact O-N 3.41Å
208	A	39.6	Very low	45.8	Very low	54 Å²	54	100.9 Å²	100.9	45%	0.446	52%	0.515	S	S	.	.	H	α-helix	trans	-66.4	-42.3	173.1	0	0	0	0	0	111.9	N204 E205 H211 E212	N204-A208 WeakPolarHBondContact O-CB 3.45Å; N204-A208 PolarHBondContact O-N 2.89Å; E205-A208 PolarHBondContact O-N 2.96Å; A208-H211 PolarHBondContact O-N 3.21Å; A208-E212 WeakPolarHBondContact O-CB 3.45Å; A208-E212 PolarHBondContact O-N 3.43Å
209	V	44	Very low	44.8	Very low	85 Å²	85	101.4 Å²	101.4	52%	0.515	51%	0.514	S	S	.	.	H	α-helix	trans	-69	-38.3	177	171.8	0	0	0	0	111.1	E205 V206 E212 T213	E205-V209 WeakPolarHBondContact O-CB 3.41Å; E205-V209 WeakPolarHBondContact O-CG2 3.5Å; E205-V209 PolarHBondContact O-N 2.65Å; V206-V209 PolarHBondContact O-N 2.9Å; V209-E212 PolarHBondContact O-N 2.84Å; V209-T213 WeakPolarHBondContact O-CB 3.08Å; V209-T213 PolarHBondContact O-N 2.96Å; V209-T213 PolarHBondContact O-OG1 3.38Å
210	Q	39.5	Very low	44	Very low	111 Å²	111	103.4 Å²	103.4	52%	0.519	53%	0.534	S	S	.	.	H	α-helix	trans	-68.8	-40.6	173.5	-77.6	-173.3	-7.9	0	0	111.7	V206 E212 T213 I214	V206-Q210 WeakPolarHBondContact O-CB 3.47Å; V206-Q210 WeakPolarHBondContact O-CG 3.24Å; V206-Q210 PolarHBondContact O-N 3.16Å; Q210-E212 VanDerWaalsContact C-N 3.34Å; Q210-T213 PolarHBondContact O-N 3.38Å; Q210-I214 WeakPolarHBondContact O-CB 3.33Å; Q210-I214 WeakPolarHBondContact O-CD1 3.36Å; Q210-I214 WeakPolarHBondContact O-CG1 3.46Å; Q210-I214 PolarHBondContact O-N 3.32Å
211	H	41.9	Very low	43.1	Very low	126 Å²	126	101.2 Å²	101.2	58%	0.583	54%	0.537	S	S	*	.	H	α-helix	trans	-64.8	-37.6	173.2	-106.5	-73.6	0	0	0	112	D207 A208 L215	D207-H211 VanDerWaalsContact O-CB 3.24Å; D207-H211 WeakPolarHBondContact O-CB 3.3Å; D207-H211 PolarHBondContact O-N 3.41Å; A208-H211 PolarHBondContact O-N 3.21Å; H211-L215 VanDerWaalsContact O-CB 3.22Å; H211-L215 WeakPolarHBondContact O-CB 3.25Å; H211-L215 WeakPolarHBondContact O-CD1 3.49Å; H211-L215 PolarHBondContact O-N 3.47Å
212	E	41.1	Very low	41.9	Very low	122 Å²	122	101.1 Å²	101.1	57%	0.57	54%	0.541	S	S	*	.	H	α-helix	trans	-73.3	-34.3	178.2	-166.1	170.3	-156.9	0	0	111.7	A208 V209 Q210 N216	A208-E212 WeakPolarHBondContact O-CB 3.45Å; A208-E212 PolarHBondContact O-N 3.43Å; V209-E212 PolarHBondContact O-N 2.84Å; Q210-E212 VanDerWaalsContact C-N 3.34Å; E212-N216 WeakPolarHBondContact O-CB 3.39Å; E212-N216 VanDerWaalsContact O-CG 3.23Å; E212-N216 PolarHBondContact O-N 2.86Å; E212-N216 PolarHBondContact O-ND2 3.5Å
213	T	45.3	Very low	40.8	Very low	74 Å²	74	101.3 Å²	101.3	45%	0.454	55%	0.55	S	S	.	*	H	α-helix	trans	-70.3	-38.1	173.7	-49.6	0	0	0	0	111.3	V209 Q210 H217	V209-T213 WeakPolarHBondContact O-CB 3.08Å; V209-T213 PolarHBondContact O-N 2.96Å; V209-T213 PolarHBondContact O-OG1 3.38Å; Q210-T213 PolarHBondContact O-N 3.38Å; T213-H217 PolarHBondContact O-CD2 3.47Å; T213-H217 PolarHBondContact O-N 3.49Å
214	I	40.6	Very low	39.7	Very low	107 Å²	107	105.2 Å²	105.2	55%	0.549	57%	0.566	S	S	.	*	H	α-helix	trans	-74.8	-38.1	175.4	-65	166.9	0	0	0	110.8	Q210 H217 T218	Q210-I214 WeakPolarHBondContact O-CB 3.33Å; Q210-I214 WeakPolarHBondContact O-CD1 3.36Å; Q210-I214 WeakPolarHBondContact O-CG1 3.46Å; Q210-I214 PolarHBondContact O-N 3.32Å; I214-H217 PolarHBondContact O-N 3.29Å; I214-T218 VanDerWaalsContact O-CB 3.29Å; I214-T218 WeakPolarHBondContact O-CB 3.34Å; I214-T218 PolarHBondContact O-N 3.03Å; I214-T218 PolarHBondContact O-OG1 3.36Å
215	L	37	Very low	38.4	Very low	77 Å²	77	107.3 Å²	107.3	40%	0.403	58%	0.577	S	S	.	*	H	α-helix	trans	-68.1	-40.8	174.7	-105.5	83.9	0	0	0	111.6	H211 H217 T218 H219	H211-L215 VanDerWaalsContact O-CB 3.22Å; H211-L215 WeakPolarHBondContact O-CB 3.25Å; H211-L215 WeakPolarHBondContact O-CD1 3.49Å; H211-L215 PolarHBondContact O-N 3.47Å; L215-H217 VanDerWaalsContact C-N 3.29Å; L215-H217 PolarHBondContact O-N 3.45Å; L215-T218 PolarHBondContact O-N 3.3Å; L215-T218 VanDerWaalsContact O-N 3.16Å; L215-H219 VanDerWaalsContact O-CB 3.23Å; L215-H219 WeakPolarHBondContact O-CB 3.25Å; L215-H219 PolarHBondContact O-CD2 3.03Å; L215-H219 PolarHBondContact O-N 3.25Å
216	N	39	Very low	37.5	Very low	111 Å²	111	107 Å²	107	59%	0.594	59%	0.587	S	S	*	*	H	α-helix	trans	-68.2	-29.2	178.3	-76.1	-23.8	0	0	0	112.4	E212	E212-N216 WeakPolarHBondContact O-CB 3.39Å; E212-N216 VanDerWaalsContact O-CG 3.23Å; E212-N216 PolarHBondContact O-N 2.86Å; E212-N216 PolarHBondContact O-ND2 3.5Å
217	H	38	Very low	36.5	Very low	156 Å²	156	112.5 Å²	112.5	72%	0.722	61%	0.612	S	S	*	*	H	α-helix	trans	-79.9	-23.8	171	-85.1	-61.2	0	0	0	114	T213 I214 L215	T213-H217 PolarHBondContact O-CD2 3.47Å; T213-H217 PolarHBondContact O-N 3.49Å; I214-H217 PolarHBondContact O-N 3.29Å; L215-H217 VanDerWaalsContact C-N 3.29Å; L215-H217 PolarHBondContact O-N 3.45Å
218	T	38.2	Very low	35.8	Very low	77 Å²	77	117.1 Å²	117.1	47%	0.472	63%	0.629	S	S	.	*	H	α-helix	trans	-94.7	-27.6	-179.5	-45.3	0	0	0	0	112.7	I214 L215 S220 S221	I214-T218 VanDerWaalsContact O-CB 3.29Å; I214-T218 WeakPolarHBondContact O-CB 3.34Å; I214-T218 PolarHBondContact O-N 3.03Å; I214-T218 PolarHBondContact O-OG1 3.36Å; L215-T218 PolarHBondContact O-N 3.3Å; L215-T218 VanDerWaalsContact O-N 3.16Å; T218-S220 PolarHBondContact O-N 3.17Å; T218-S221 PolarHBondContact O-N 3.19Å
219	H	34.2	Very low	35.3	Very low	111 Å²	111	122.6 Å²	122.6	51%	0.514	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.8	-7.4	-179.8	-87	-83.3	0	0	0	115.2	L215 S221	L215-H219 VanDerWaalsContact O-CB 3.23Å; L215-H219 WeakPolarHBondContact O-CB 3.25Å; L215-H219 PolarHBondContact O-CD2 3.03Å; L215-H219 PolarHBondContact O-N 3.25Å; H219-S221 PolarHBondContact O-N 2.93Å
220	S	35.2	Very low	34.6	Very low	103 Å²	103	125.2 Å²	125.2	72%	0.72	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-15.4	166.9	-173.4	0	0	0	0	112.5	T218	T218-S220 PolarHBondContact O-N 3.17Å
221	S	36.6	Very low	34.4	Very low	102 Å²	102	127.7 Å²	127.7	71%	0.713	68%	0.678	S	S	*	*	S	Bend	trans	-115.1	-0.1	-175.4	-57.5	0	0	0	0	115.6	T218 H219	T218-S221 PolarHBondContact O-N 3.19Å; H219-S221 PolarHBondContact O-N 2.93Å
222	I	31.3	Very low	34.1	Very low	123 Å²	123	131.1 Å²	131.1	63%	0.631	69%	0.691	S	S	*	*			trans	-140.1	81.1	-179.4	-52.5	178.6	0	0	0	109.3
223	T	28.2	Very low	33.5	Very low	113 Å²	113	136.4 Å²	136.4	69%	0.693	71%	0.706	S	S	*	*			trans	-88.9	135.1	171.4	-29.6	0	0	0	0	109.6
224	K	28.2	Very low	33.1	Very low	183 Å²	183	140.1 Å²	140.1	80%	0.796	72%	0.723	S	S	*	*	S	Bend	trans	70.7	89.5	167.1	-65.6	168.3	179.8	177	0	115.3
225	N	27.9	Very low	32.9	Very low	156 Å²	156	140.8 Å²	140.8	83%	0.834	73%	0.732	S	S	*	*				177	146.3	122.1	-84.9	-20.4	0	0	0	110.2
226	S	29.9	Very low	32.8	Very low	99 Å²	99	144.1 Å²	144.1	69%	0.692	75%	0.749	S	S	*	*			trans	78.7	85.4	170.9	73.2	0	0	0	0	118	F228	S226-F228 PolarHBondContact O-N 2.98Å
227	L	27.4	Very low	32.7	Very low	191 Å²	191	145 Å²	145	100%	1	75%	0.753	S	S	*	*			trans	-82.1	86.2	155	-152.3	102	0	0	0	106.7
228	F	29.6	Very low	32.7	Very low	178 Å²	178	146.8 Å²	146.8	78%	0.781	76%	0.758	S	S	*	*			trans	-99.8	140.4	179.1	-116.2	-89.1	0	0	0	111.3	S226 V230	S226-F228 PolarHBondContact O-N 2.98Å; F228-V230 PolarHBondContact O-N 3.36Å
229	E	29.1	Very low	32.8	Very low	170 Å²	170	151.8 Å²	151.8	79%	0.794	77%	0.773	S	S	*	*			trans	-48.1	118.4	177.5	-58.4	175	118.2	0	0	114.9
230	V	28.9	Very low	32.9	Very low	140 Å²	140	153.5 Å²	153.5	85%	0.848	78%	0.782	S	S	*	*			trans	-160.7	85.5	146.5	-169	0	0	0	0	109.4	F228	F228-V230 PolarHBondContact O-N 3.36Å
231	N	35.4	Very low	33	Very low	162 Å²	162	156 Å²	156	87%	0.866	78%	0.782	S	S	*	*			trans	-157.8	29.2	167.8	-126	-13.7	0	0	0	118.9
232	K	34.9	Very low	33.3	Very low	199 Å²	199	157.5 Å²	157.5	87%	0.865	78%	0.782	S	S	*	*	S	Bend	trans	-119.5	8.2	-178.8	-93.3	-176	177.4	178.2	0	117.5
233	R	28.4	Very low	33.6	Very low	233 Å²	233	158.4 Å²	158.4	88%	0.879	78%	0.783	S	S	*	*	S	Bend	trans	-103.2	-6.4	-176.6	-98.5	-176.4	-171.5	176.5	3.7	118
234	N	36.9	Very low	34.1	Very low	151 Å²	151	157.8 Å²	157.8	81%	0.807	78%	0.779	S	S	*	*	S	Bend	trans	-105.3	12.8	-177	-83.6	-5.1	0	0	0	116
235	V	37.1	Very low	34.6	Very low	122 Å²	122	154.8 Å²	154.8	74%	0.739	77%	0.772	S	S	*	*	S	Bend	trans	-102.2	-12.1	-178.8	-179.2	0	0	0	0	113.4
236	L	34	Very low	35	Very low	146 Å²	146	150.1 Å²	150.1	76%	0.764	76%	0.755	S	S	*	*	S	Bend	trans	-91	-12.7	-177.5	-95.8	108.1	0	0	0	116.3
237	I	37.1	Very low	35.4	Very low	131 Å²	131	150 Å²	150	67%	0.672	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-9.4	-174.7	-61	171.8	0	0	0	112.8
238	K	39	Very low	35.9	Very low	192 Å²	192	147.2 Å²	147.2	84%	0.835	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	0.3	-179.7	-102	-178.3	177.8	179.2	0	115.6
239	K	39.3	Very low	36.3	Very low	183 Å²	183	146 Å²	146	80%	0.796	73%	0.728	S	S	*	*	S	Bend	trans	-101.1	-17.4	-180	-110.4	-176	174.9	-173	0	115.2
240	E	36.9	Very low	36.6	Very low	147 Å²	147	144.7 Å²	144.7	69%	0.687	72%	0.722	S	S	*	*	S	Bend	trans	-89.1	-14.7	-179.5	-90.2	178.2	148.6	0	0	114.9
241	H	37.1	Very low	37	Very low	155 Å²	155	142 Å²	142	72%	0.718	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-4.6	-179.6	-97	48	0	0	0	115.1
242	N	43.6	Very low	37	Very low	134 Å²	134	140.7 Å²	140.7	72%	0.717	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-4.7	176.8	-78.6	-4.4	0	0	0	113.8
243	E	37	Very low	37.1	Very low	142 Å²	142	137.5 Å²	137.5	66%	0.664	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-21.5	177.5	-105.8	173.4	168.1	0	0	113.2	V247	E243-V247 WeakPolarHBondContact O-CG2 3.25Å
244	V	38.6	Very low	37.4	Very low	99 Å²	99	131.7 Å²	131.7	60%	0.6	68%	0.676	S	S	*	*	H	α-helix	trans	-78.7	-29.5	-177.6	-175.2	0	0	0	0	112.7
245	D	37.7	Very low	37.2	Very low	121 Å²	121	132.5 Å²	132.5	65%	0.647	67%	0.674	S	S	*	*	H	α-helix	trans	-83.5	-16.2	176.9	-83.9	-19	0	0	0	113.7
246	A	37.9	Very low	37	Very low	58 Å²	58	132.9 Å²	132.9	48%	0.479	68%	0.677	S	S	.	*	H	α-helix	trans	-80.4	-35.4	175.4	0	0	0	0	0	112	H249	A246-H249 PolarHBondContact O-N 3.36Å
247	V	37.8	Very low	36.8	Very low	95 Å²	95	134 Å²	134	58%	0.576	68%	0.678	S	S	*	*	H	α-helix	trans	-78	-25	-175.7	178.2	0	0	0	0	112.7	E243 T251	E243-V247 WeakPolarHBondContact O-CG2 3.25Å; V247-T251 PolarHBondContact O-OG1 3.21Å
248	Q	38.3	Very low	36.4	Very low	134 Å²	134	132.8 Å²	132.8	63%	0.626	68%	0.681	S	S	*	*	H	α-helix	trans	-80.5	-21.3	172.5	-82.1	-173.1	-21.1	0	0	113.8
249	H	36.9	Very low	36.1	Very low	151 Å²	151	129.1 Å²	129.1	70%	0.699	68%	0.68	S	S	*	*	H	α-helix	trans	-84.6	-19.9	179.8	-119.8	-62.5	0	0	0	114.1	A246	A246-H249 PolarHBondContact O-N 3.36Å
250	E	36.3	Very low	35.5	Very low	143 Å²	143	128.4 Å²	128.4	67%	0.668	68%	0.683	S	S	*	*	H	α-helix	trans	-86	-26.7	173.4	-104.7	178.3	163.7	0	0	113.4	I252	E250-I252 VanDerWaalsContact C-N 3.33Å; E250-I252 PolarHBondContact O-N 2.92Å
251	T	37.6	Very low	35.1	Very low	84 Å²	84	127.3 Å²	127.3	52%	0.515	69%	0.686	S	S	.	*	H	α-helix	trans	-77.4	-17.8	-174.9	-47.7	0	0	0	0	113.2	V247	V247-T251 PolarHBondContact O-OG1 3.21Å
252	I	35.5	Very low	34.7	Very low	134 Å²	134	127.9 Å²	127.9	69%	0.687	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-17.5	179.9	-64.2	167.4	0	0	0	112.4	E250	E250-I252 VanDerWaalsContact C-N 3.33Å; E250-I252 PolarHBondContact O-N 2.92Å
253	L	35.3	Very low	33.8	Very low	132 Å²	132	129 Å²	129	69%	0.691	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-20.9	179.3	-98.7	138.3	0	0	0	114.2
254	N	35.3	Very low	33.4	Very low	112 Å²	112	127.5 Å²	127.5	60%	0.599	70%	0.7	S	S	*	*	S	Bend	trans	-94.4	-8.6	-177.3	-78	-18	0	0	0	115.2
255	H	32.5	Very low	33.1	Very low	168 Å²	168	126.7 Å²	126.7	78%	0.778	70%	0.699	S	S	*	*	S	Bend	trans	-92.6	1.2	-177.8	-110.9	-53.9	0	0	0	115.6
256	T	34.2	Very low	32.7	Very low	130 Å²	130	130 Å²	130	80%	0.798	71%	0.708	S	S	*	*	S	Bend	trans	-106.9	-0.3	176.9	-34.7	0	0	0	0	113
257	Q	29.8	Very low	32.8	Very low	170 Å²	170	135 Å²	135	79%	0.794	72%	0.722	S	S	*	*	S	Bend	trans	-109.5	10.7	-175.3	-88.8	-174.9	-20.6	0	0	115.5
258	S	28.7	Very low	32.6	Very low	105 Å²	105	132.1 Å²	132.1	73%	0.734	71%	0.711	S	S	*	*	S	Bend	trans	-138.8	66.1	-172.1	172	0	0	0	0	113.1
259	S	30.9	Very low	32.6	Very low	115 Å²	115	130.5 Å²	130.5	80%	0.804	71%	0.707	S	S	*	*			trans	-164.6	52.3	149.3	63.5	0	0	0	0	110.4
260	I	26.8	Very low	32.7	Very low	168 Å²	168	130.8 Å²	130.8	86%	0.862	71%	0.706	S	S	*	*			trans	-101.3	84.4	157.5	-61.3	174.3	0	0	0	105
261	T	29.2	Very low	33.1	Very low	123 Å²	123	129.1 Å²	129.1	76%	0.755	70%	0.695	S	S	*	*			trans	-164.8	133.5	161.5	7.7	0	0	0	0	110
262	E	28.2	Very low	33.4	Very low	168 Å²	168	130 Å²	130	79%	0.785	70%	0.696	S	S	*	*			trans	94.9	91.2	155.1	-64.1	175.6	176.5	0	0	118.8
263	N	25.1	Very low	34	Very low	157 Å²	157	128.3 Å²	128.3	84%	0.84	69%	0.687	S	S	*	*				76.8	78.8	128	-59.5	-15.6	0	0	0	118.9
264	S	28.8	Very low	34.6	Very low	110 Å²	110	129.1 Å²	129.1	77%	0.769	68%	0.682	S	S	*	*			trans	-154.8	128.8	146.6	58.9	0	0	0	0	111.1
265	S	32.1	Very low	35.3	Very low	83 Å²	83	125.2 Å²	125.2	58%	0.58	66%	0.661	S	S	*	*			trans	7.8	129.4	177.8	62.4	0	0	0	0	119.9	E267 G268	S265-E267 PolarHBondContact O-N 3.36Å; S265-G268 PolarHBondContact O-N 2.88Å
266	F	29.6	Very low	36.3	Very low	190 Å²	190	120.4 Å²	120.4	83%	0.833	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.7	-14.9	175.1	-166.1	-103.9	0	0	0	115
267	E	38.8	Very low	37.2	Very low	163 Å²	163	118.5 Å²	118.5	76%	0.762	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-27.2	173.5	-85.3	159.6	149.8	0	0	114.3	S265 N269 F270	S265-E267 PolarHBondContact O-N 3.36Å; E267-N269 VanDerWaalsContact C-N 3.32Å; E267-N269 PolarHBondContact O-N 2.89Å; E267-F270 PolarHBondContact O-N 2.88Å
268	G	34.1	Very low	38.4	Very low	34 Å²	34	112.7 Å²	112.7	35%	0.351	60%	0.601	S	S	.	*	H	α-helix	trans	-71.2	-24.8	178.7	0	0	0	0	0	114	S265 Y271 L272	S265-G268 PolarHBondContact O-N 2.88Å; G268-Y271 PolarHBondContact O-N 2.86Å; G268-L272 PolarHBondContact O-N 2.67Å
269	N	37.9	Very low	39.6	Very low	101 Å²	101	111.1 Å²	111.1	54%	0.54	58%	0.584	S	S	.	*	H	α-helix	trans	-72.4	-29.9	177.6	-93.9	-15.9	0	0	0	113	E267 Y271 I273	E267-N269 VanDerWaalsContact C-N 3.32Å; E267-N269 PolarHBondContact O-N 2.89Å; N269-Y271 VanDerWaalsContact C-N 3.34Å; N269-I273 WeakPolarHBondContact O-CB 3.29Å; N269-I273 WeakPolarHBondContact O-CD1 3.2Å; N269-I273 WeakPolarHBondContact O-CG1 3.41Å; N269-I273 PolarHBondContact O-N 3.41Å
270	F	40.5	Very low	40.3	Very low	157 Å²	157	109.6 Å²	109.6	69%	0.689	57%	0.566	S	S	*	*	H	α-helix	trans	-67.6	-40.4	175.2	-115.7	-85.5	0	0	0	110.8	E267 I273 Y274	E267-F270 PolarHBondContact O-N 2.88Å; F270-I273 PolarHBondContact O-N 2.97Å; F270-Y274 WeakPolarHBondContact O-CB 3.37Å; F270-Y274 PolarHBondContact O-N 3.47Å
271	Y	43.5	Very low	41.3	Very low	107 Å²	107	104.1 Å²	104.1	42%	0.42	54%	0.543	S	S	.	.	H	α-helix	trans	-66.5	-41.9	176.7	-131	-84.8	0	0	0	111.9	E50 G268 N269 I273 Y274 L275	E50-Y271 PolarHBondContact OE1-OH 3.27Å; E50-Y271 PolarHBondContact OE2-OH 3.36Å; G268-Y271 PolarHBondContact O-N 2.86Å; N269-Y271 VanDerWaalsContact C-N 3.34Å; Y271-I273 PolarHBondContact O-N 2.97Å; Y271-Y274 PolarHBondContact O-N 2.84Å; Y271-L275 WeakPolarHBondContact O-CB 3.34Å; Y271-L275 PolarHBondContact O-N 2.94Å
272	L	44.7	Very low	42.3	Very low	104 Å²	104	99.3 Å²	99.3	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-63.1	-39.5	174	-116.8	151.4	0	0	0	112.4	G268 V276	G268-L272 PolarHBondContact O-N 2.67Å; L272-V276 VanDerWaalsContact O-CB 3.29Å; L272-V276 WeakPolarHBondContact O-CB 3.26Å; L272-V276 WeakPolarHBondContact O-CG2 3.5Å; L272-V276 PolarHBondContact O-N 2.96Å
273	I	48.8	Very low	43.4	Very low	97 Å²	97	94.6 Å²	94.6	50%	0.497	50%	0.498	S	S	.	.	H	α-helix	trans	-67.3	-43.3	175.4	-70.2	164.9	0	0	0	110.6	N269 F270 Y271 V276 I277	N269-I273 WeakPolarHBondContact O-CB 3.29Å; N269-I273 WeakPolarHBondContact O-CD1 3.2Å; N269-I273 WeakPolarHBondContact O-CG1 3.41Å; N269-I273 PolarHBondContact O-N 3.41Å; F270-I273 PolarHBondContact O-N 2.97Å; Y271-I273 PolarHBondContact O-N 2.97Å; I273-V276 PolarHBondContact O-N 3.4Å; I273-I277 HydrophobicContact CG2-CD1 3.8Å; I273-I277 WeakPolarHBondContact O-CB 3.24Å; I273-I277 WeakPolarHBondContact O-CD1 3.47Å; I273-I277 WeakPolarHBondContact O-CG1 3.42Å; I273-I277 PolarHBondContact O-N 2.82Å
274	Y	48	Very low	44.5	Very low	150 Å²	150	93.9 Å²	93.9	59%	0.588	49%	0.488	S	S	*	.	H	α-helix	trans	-66	-40.9	178.4	-148.8	-97.4	0	0	0	111.7	F270 Y271 I277 I278	F270-Y274 WeakPolarHBondContact O-CB 3.37Å; F270-Y274 PolarHBondContact O-N 3.47Å; Y271-Y274 PolarHBondContact O-N 2.84Å; Y274-I277 CarbonylContact O-C 3.42Å; Y274-I277 WeakPolarHBondContact O-CA 3.36Å; Y274-I277 WeakPolarHBondContact O-CB 3.38Å; Y274-I277 PolarHBondContact O-N 3.12Å; Y274-I278 HydrophobicContact CD1-CD1 3.7Å; Y274-I278 HydrophobicContact CD1-CG1 4.19Å; Y274-I278 HydrophobicContact CE1-CD1 3.82Å; Y274-I278 HydrophobicContact CE1-CG1 4.31Å; Y274-I278 WeakPolarHBondContact O-CG1 3.47Å; Y274-I278 PolarHBondContact O-N 3.48Å
275	L	49.7	Very low	45.5	Very low	30 Å²	30	92.4 Å²	92.4	16%	0.157	47%	0.471	C	S	.	.	H	α-helix	trans	-67.6	-38.1	176.4	-162.7	129.3	0	0	0	111.9	Q43 Y271 I277 I278 I279	Q43-L275 HydrophobicContact CG-CD1 3.98Å; Y271-L275 WeakPolarHBondContact O-CB 3.34Å; Y271-L275 PolarHBondContact O-N 2.94Å; L275-I277 VanDerWaalsContact C-N 3.33Å; L275-I278 PolarHBondContact O-N 3.5Å; L275-I279 HydrophobicContact CD2-CD1 3.61Å; L275-I279 HydrophobicContact CG-CD1 4.35Å; L275-I279 WeakPolarHBondContact O-CB 3.48Å; L275-I279 VanDerWaalsContact O-CG1 3.26Å; L275-I279 WeakPolarHBondContact O-CG1 3.24Å; L275-I279 PolarHBondContact O-N 2.88Å
276	V	52.1	Low	46.5	Very low	67 Å²	67	90.1 Å²	90.1	41%	0.406	45%	0.453	S	S	.	.	H	α-helix	trans	-63.5	-39.5	168.1	167.3	0	0	0	0	110.3	L272 I273 L280	L272-V276 VanDerWaalsContact O-CB 3.29Å; L272-V276 WeakPolarHBondContact O-CB 3.26Å; L272-V276 WeakPolarHBondContact O-CG2 3.5Å; L272-V276 PolarHBondContact O-N 2.96Å; I273-V276 PolarHBondContact O-N 3.4Å; V276-L280 HydrophobicContact CG1-CD1 3.48Å; V276-L280 VanDerWaalsContact CG1-CD1 3.48Å; V276-L280 HydrophobicContact CG1-CG 3.98Å; V276-L280 WeakPolarHBondContact O-CA 3.16Å; V276-L280 WeakPolarHBondContact O-CB 3.4Å; V276-L280 WeakPolarHBondContact O-CD1 3.47Å; V276-L280 WeakPolarHBondContact O-CG 3.39Å; V276-L280 PolarHBondContact O-N 2.81Å
277	I	54.6	Low	47.8	Very low	90 Å²	90	82.3 Å²	82.3	46%	0.462	43%	0.426	S	S	.	.	H	α-helix	trans	-67	-38.1	176.2	-70.2	162.9	0	0	0	111.8	I273 Y274 L275 L280 S281	I273-I277 HydrophobicContact CG2-CD1 3.8Å; I273-I277 WeakPolarHBondContact O-CB 3.24Å; I273-I277 WeakPolarHBondContact O-CD1 3.47Å; I273-I277 WeakPolarHBondContact O-CG1 3.42Å; I273-I277 PolarHBondContact O-N 2.82Å; Y274-I277 CarbonylContact O-C 3.42Å; Y274-I277 WeakPolarHBondContact O-CA 3.36Å; Y274-I277 WeakPolarHBondContact O-CB 3.38Å; Y274-I277 PolarHBondContact O-N 3.12Å; L275-I277 VanDerWaalsContact C-N 3.33Å; I277-L280 CarbonylContact O-C 3.56Å; I277-S281 WeakPolarHBondContact O-CA 3.45Å; I277-S281 WeakPolarHBondContact O-CB 3.45Å; I277-S281 PolarHBondContact O-N 3.09Å; I277-S281 PolarHBondContact O-OG 3.2Å
278	I	54.9	Low	48.5	Very low	47 Å²	47	76.2 Å²	76.2	24%	0.241	40%	0.404	C	S	.	.	H	α-helix	trans	-71.7	-44.1	177.4	-68.9	175.1	0	0	0	111.3	F42 Y274 L275 L280 S281 A282	F42-I278 HydrophobicContact CZ-CG2 4.44Å; Y274-I278 HydrophobicContact CD1-CD1 3.7Å; Y274-I278 HydrophobicContact CD1-CG1 4.19Å; Y274-I278 HydrophobicContact CE1-CD1 3.82Å; Y274-I278 HydrophobicContact CE1-CG1 4.31Å; Y274-I278 WeakPolarHBondContact O-CG1 3.47Å; Y274-I278 PolarHBondContact O-N 3.48Å; L275-I278 PolarHBondContact O-N 3.5Å; I278-L280 VanDerWaalsContact C-N 3.33Å; I278-S281 VanDerWaalsContact CA-OG 3.29Å; I278-S281 WeakPolarHBondContact CA-OG 3.31Å; I278-S281 PolarHBondContact O-N 3.28Å; I278-S281 PolarHBondContact O-OG 3.36Å; I278-A282 WeakPolarHBondContact O-CB 3.15Å; I278-A282 PolarHBondContact O-N 2.92Å
279	I	53.2	Low	49.7	Very low	72 Å²	72	76.6 Å²	76.6	37%	0.369	40%	0.399	S	S	.	.	H	α-helix	trans	-64.6	-43.1	173.6	-67.8	171.5	0	0	0	109.4	L275 S281 A282 V283	L275-I279 HydrophobicContact CD2-CD1 3.61Å; L275-I279 HydrophobicContact CG-CD1 4.35Å; L275-I279 WeakPolarHBondContact O-CB 3.48Å; L275-I279 VanDerWaalsContact O-CG1 3.26Å; L275-I279 WeakPolarHBondContact O-CG1 3.24Å; L275-I279 PolarHBondContact O-N 2.88Å; I279-S281 VanDerWaalsContact C-N 3.32Å; I279-S281 PolarHBondContact O-N 3.4Å; I279-A282 PolarHBondContact O-N 3.21Å; I279-V283 HydrophobicContact CG2-CG2 4.23Å; I279-V283 WeakPolarHBondContact O-CB 3.37Å; I279-V283 WeakPolarHBondContact O-CG2 3.38Å; I279-V283 PolarHBondContact O-N 3Å
280	L	45.7	Very low	50.7	Low	83 Å²	83	74 Å²	74	44%	0.435	38%	0.382	S	S	.	.	H	α-helix	trans	-62.8	-39.1	174	-75.1	171.6	0	0	0	110.6	V276 I277 I278 V283 F284	V276-L280 HydrophobicContact CG1-CD1 3.48Å; V276-L280 VanDerWaalsContact CG1-CD1 3.48Å; V276-L280 HydrophobicContact CG1-CG 3.98Å; V276-L280 WeakPolarHBondContact O-CA 3.16Å; V276-L280 WeakPolarHBondContact O-CB 3.4Å; V276-L280 WeakPolarHBondContact O-CD1 3.47Å; V276-L280 WeakPolarHBondContact O-CG 3.39Å; V276-L280 PolarHBondContact O-N 2.81Å; I277-L280 CarbonylContact O-C 3.56Å; I278-L280 VanDerWaalsContact C-N 3.33Å; L280-V283 CarbonylContact O-C 3.5Å; L280-V283 PolarHBondContact O-N 3.03Å; L280-F284 HydrophobicContact CB-CD2 4.47Å; L280-F284 WeakPolarHBondContact O-CA 3.27Å; L280-F284 WeakPolarHBondContact O-CB 3.37Å; L280-F284 VanDerWaalsContact O-CD2 3.22Å; L280-F284 WeakPolarHBondContact O-CD2 3.47Å; L280-F284 PolarHBondContact O-N 3.44Å
281	S	48.5	Very low	51.7	Low	53 Å²	53	70 Å²	70	37%	0.371	37%	0.37	S	S	.	.	H	α-helix	trans	-70.9	-38.3	-179.7	66.8	0	0	0	0	111.9	I277 I278 I279 F284 L285	I277-S281 WeakPolarHBondContact O-CA 3.45Å; I277-S281 WeakPolarHBondContact O-CB 3.45Å; I277-S281 PolarHBondContact O-N 3.09Å; I277-S281 PolarHBondContact O-OG 3.2Å; I278-S281 VanDerWaalsContact CA-OG 3.29Å; I278-S281 WeakPolarHBondContact CA-OG 3.31Å; I278-S281 PolarHBondContact O-N 3.28Å; I278-S281 PolarHBondContact O-OG 3.36Å; I279-S281 VanDerWaalsContact C-N 3.32Å; I279-S281 PolarHBondContact O-N 3.4Å; S281-F284 CarbonylContact O-C 3.47Å; S281-F284 WeakPolarHBondContact O-CA 3.4Å; S281-F284 WeakPolarHBondContact O-CB 3.33Å; S281-F284 PolarHBondContact O-N 3.12Å; S281-F284 VanDerWaalsContact O-N 3.16Å; S281-L285 WeakPolarHBondContact O-CG 3.46Å; S281-L285 PolarHBondContact O-N 3.17Å
282	A	48.5	Very low	52.4	Low	22 Å²	22	70.2 Å²	70.2	18%	0.182	38%	0.378	C	S	.	.	H	α-helix	trans	-66.5	-41.7	171	0	0	0	0	0	112.2	I278 I279 F284 L285 T286	I278-A282 WeakPolarHBondContact O-CB 3.15Å; I278-A282 PolarHBondContact O-N 2.92Å; I279-A282 PolarHBondContact O-N 3.21Å; A282-F284 VanDerWaalsContact C-N 3.26Å; A282-F284 PolarHBondContact O-N 2.06Å; A282-L285 PolarHBondContact O-N 2.87Å; A282-T286 PolarHBondContact O-N 3.16Å; A282-T286 PolarHBondContact O-OG1 3.26Å; A282-T286 VanDerWaalsContact O-OG1 3.11Å
283	V	51.3	Low	53	Low	69 Å²	69	65.6 Å²	65.6	42%	0.418	36%	0.355	S	S	.	.	H	α-helix	trans	-67.4	-27.2	170.1	172.7	0	0	0	0	111.1	I279 L280 T286 G287	I279-V283 HydrophobicContact CG2-CG2 4.23Å; I279-V283 WeakPolarHBondContact O-CB 3.37Å; I279-V283 WeakPolarHBondContact O-CG2 3.38Å; I279-V283 PolarHBondContact O-N 3Å; L280-V283 CarbonylContact O-C 3.5Å; L280-V283 PolarHBondContact O-N 3.03Å; V283-T286 PolarHBondContact O-OG1 3.01Å; V283-G287 WeakPolarHBondContact O-CA 3.49Å; V283-G287 PolarHBondContact O-N 2.89Å
284	F	48.7	Very low	53.6	Low	143 Å²	143	63.4 Å²	63.4	63%	0.627	35%	0.346	S	S	*	.	H	α-helix	trans	-78.4	-29.7	175.4	-107.4	-89.9	0	0	0	110.7	L280 S281 A282 A288	L280-F284 HydrophobicContact CB-CD2 4.47Å; L280-F284 WeakPolarHBondContact O-CA 3.27Å; L280-F284 WeakPolarHBondContact O-CB 3.37Å; L280-F284 VanDerWaalsContact O-CD2 3.22Å; L280-F284 WeakPolarHBondContact O-CD2 3.47Å; L280-F284 PolarHBondContact O-N 3.44Å; S281-F284 CarbonylContact O-C 3.47Å; S281-F284 WeakPolarHBondContact O-CA 3.4Å; S281-F284 WeakPolarHBondContact O-CB 3.33Å; S281-F284 PolarHBondContact O-N 3.12Å; S281-F284 VanDerWaalsContact O-N 3.16Å; A282-F284 VanDerWaalsContact C-N 3.26Å; A282-F284 PolarHBondContact O-N 2.06Å; F284-A288 VanDerWaalsContact O-CA 3.26Å; F284-A288 WeakPolarHBondContact O-CA 3.37Å; F284-A288 WeakPolarHBondContact O-CB 3.46Å; F284-A288 PolarHBondContact O-N 3.14Å
285	L	51.2	Low	54	Low	79 Å²	79	64 Å²	64	41%	0.414	35%	0.348	S	S	.	.	H	α-helix	trans	-71.1	-48.4	173.6	-74.9	167.6	0	0	0	110.2	S281 A282 V289	S281-L285 WeakPolarHBondContact O-CG 3.46Å; S281-L285 PolarHBondContact O-N 3.17Å; A282-L285 PolarHBondContact O-N 2.87Å; L285-V289 WeakPolarHBondContact O-CB 2.82Å; L285-V289 WeakPolarHBondContact O-CG2 3.05Å; L285-V289 PolarHBondContact O-N 2.81Å
286	T	52.7	Low	54	Low	34 Å²	34	65.5 Å²	65.5	21%	0.209	37%	0.365	C	S	.	.	H	α-helix	trans	-69.3	-37.4	176	52.5	0	0	0	0	112.3	F89 N169 A282 V283 Y290	F89-T286 HydrophobicContact CE2-CG2 4.06Å; F89-T286 HydrophobicContact CZ-CG2 3.81Å; N169-T286 HydrophobicContact CB-CG2 4.24Å; A282-T286 PolarHBondContact O-N 3.16Å; A282-T286 PolarHBondContact O-OG1 3.26Å; A282-T286 VanDerWaalsContact O-OG1 3.11Å; V283-T286 PolarHBondContact O-OG1 3.01Å; T286-Y290 VanDerWaalsContact O-CB 3.24Å; T286-Y290 WeakPolarHBondContact O-CB 3.18Å; T286-Y290 PolarHBondContact O-N 3.08Å
287	G	56	Low	53.7	Low	26 Å²	26	65.9 Å²	65.9	27%	0.268	36%	0.361	S	S	.	.	H	α-helix	trans	-71.8	-39.3	175.5	0	0	0	0	0	113.3	V283 Y290 V291	V283-G287 WeakPolarHBondContact O-CA 3.49Å; V283-G287 PolarHBondContact O-N 2.89Å; G287-Y290 PolarHBondContact O-N 3.34Å; G287-V291 WeakPolarHBondContact O-CB 3.14Å; G287-V291 WeakPolarHBondContact O-CG2 2.79Å; G287-V291 PolarHBondContact O-N 3.32Å
288	A	54.5	Low	52.9	Low	36 Å²	36	68.5 Å²	68.5	30%	0.298	37%	0.37	S	S	.	.	H	α-helix	trans	-71.2	-40.1	175.3	0	0	0	0	0	110.5	F284 Y290 V291 L292	F284-A288 VanDerWaalsContact O-CA 3.26Å; F284-A288 WeakPolarHBondContact O-CA 3.37Å; F284-A288 WeakPolarHBondContact O-CB 3.46Å; F284-A288 PolarHBondContact O-N 3.14Å; A288-Y290 VanDerWaalsContact C-N 3.34Å; A288-V291 PolarHBondContact O-N 3.28Å; A288-L292 WeakPolarHBondContact O-CA 3.09Å; A288-L292 WeakPolarHBondContact O-CB 3.25Å; A288-L292 WeakPolarHBondContact O-CD1 3.09Å; A288-L292 WeakPolarHBondContact O-CG 3.11Å; A288-L292 PolarHBondContact O-N 3.24Å
289	V	58	Low	52.2	Low	41 Å²	41	70.7 Å²	70.7	25%	0.248	39%	0.385	C	S	.	.	H	α-helix	trans	-62.2	-45.5	171.5	176.1	0	0	0	0	109.5	F114 L285 V291 L292 C293	F114-V289 HydrophobicContact CD1-CG1 4.15Å; F114-V289 HydrophobicContact CE1-CG1 3.89Å; L285-V289 WeakPolarHBondContact O-CB 2.82Å; L285-V289 WeakPolarHBondContact O-CG2 3.05Å; L285-V289 PolarHBondContact O-N 2.81Å; V289-V291 PolarHBondContact O-N 3.23Å; V289-L292 PolarHBondContact O-N 2.82Å; V289-C293 WeakPolarHBondContact O-CB 2.92Å; V289-C293 PolarHBondContact O-N 2.77Å; V289-C293 PolarHBondContact O-SG 3.32Å
290	Y	60.5	Low	51.5	Low	47 Å²	47	76.6 Å²	76.6	18%	0.184	40%	0.403	C	S	.	.	H	α-helix	trans	-59.9	-44.3	175.3	-174.5	-89.7	0	0	0	112.9	L110 T286 G287 A288 T294	L110-Y290 HydrophobicContact CD1-CD2 4.38Å; L110-Y290 HydrophobicContact CD1-CE2 3.77Å; L110-Y290 HydrophobicContact CD2-CD2 3.74Å; L110-Y290 HydrophobicContact CD2-CE2 3.85Å; L110-Y290 HydrophobicContact CG-CE2 4.48Å; T286-Y290 VanDerWaalsContact O-CB 3.24Å; T286-Y290 WeakPolarHBondContact O-CB 3.18Å; T286-Y290 PolarHBondContact O-N 3.08Å; G287-Y290 PolarHBondContact O-N 3.34Å; A288-Y290 VanDerWaalsContact C-N 3.34Å; Y290-T294 HydrophobicContact CD1-CG2 4.35Å; Y290-T294 HydrophobicContact CE1-CG2 4.06Å; Y290-T294 WeakPolarHBondContact O-CB 3.18Å; Y290-T294 VanDerWaalsContact O-CG2 3.27Å; Y290-T294 WeakPolarHBondContact O-CG2 3.47Å; Y290-T294 PolarHBondContact O-N 3.14Å; Y290-T294 PolarHBondContact O-OG1 3.27Å
291	V	59.7	Low	51.1	Low	72 Å²	72	80.1 Å²	80.1	44%	0.436	42%	0.415	S	S	.	.	H	α-helix	trans	-68.2	-45.6	178.5	167.7	0	0	0	0	110.7	G287 A288 V289 T294 Y295	G287-V291 WeakPolarHBondContact O-CB 3.14Å; G287-V291 WeakPolarHBondContact O-CG2 2.79Å; G287-V291 PolarHBondContact O-N 3.32Å; A288-V291 PolarHBondContact O-N 3.28Å; V289-V291 PolarHBondContact O-N 3.23Å; V291-T294 WeakPolarHBondContact CA-OG1 3.35Å; V291-T294 PolarHBondContact O-N 3.26Å; V291-T294 PolarHBondContact O-OG1 3.33Å; V291-T294 VanDerWaalsContact O-OG1 3.07Å; V291-Y295 HydrophobicContact CG1-CD2 3.74Å; V291-Y295 HydrophobicContact CG1-CE2 4.2Å; V291-Y295 VanDerWaalsContact O-CB 3.27Å; V291-Y295 WeakPolarHBondContact O-CB 3.38Å; V291-Y295 WeakPolarHBondContact O-CD2 3.46Å; V291-Y295 PolarHBondContact O-N 3.13Å
292	L	59.4	Low	50.7	Low	113 Å²	113	82.9 Å²	82.9	59%	0.592	43%	0.425	S	S	*	.	H	α-helix	trans	-61.5	-46.8	175.7	-73.5	167.4	0	0	0	110.6	A288 V289 T294 Y295 A296	A288-L292 WeakPolarHBondContact O-CA 3.09Å; A288-L292 WeakPolarHBondContact O-CB 3.25Å; A288-L292 WeakPolarHBondContact O-CD1 3.09Å; A288-L292 WeakPolarHBondContact O-CG 3.11Å; A288-L292 PolarHBondContact O-N 3.24Å; V289-L292 PolarHBondContact O-N 2.82Å; L292-T294 VanDerWaalsContact C-N 3.28Å; L292-T294 PolarHBondContact O-N 2.87Å; L292-Y295 PolarHBondContact O-N 3.15Å; L292-A296 WeakPolarHBondContact O-CB 3.42Å; L292-A296 PolarHBondContact O-N 2.92Å
293	C	57.6	Low	50.1	Low	7 Å²	7	88.4 Å²	88.4	5%	0.047	45%	0.451	C	S	.	.	H	α-helix	trans	-62.6	-33.8	176.9	-68.4	0	0	0	0	112.7	L110 C113 V289	L110-C293 HydrophobicContact CD2-CB 4.25Å; C113-C293 HydrophobicContact CB-CB 3.59Å; C113-C293 WeakPolarHBondContact CB-SG 3.45Å; C113-C293 VanDerWaalsContact SG-CA 3.53Å; C113-C293 WeakPolarHBondContact SG-CB 2.88Å; C113-C293 CovalentContact SG-SG 2.02Å; C113-C293 PolarHBondContact SG-SG 3.41Å; V289-C293 WeakPolarHBondContact O-CB 2.92Å; V289-C293 PolarHBondContact O-N 2.77Å; V289-C293 PolarHBondContact O-SG 3.32Å
294	T	60.2	Low	49.3	Very low	50 Å²	50	97.3 Å²	97.3	31%	0.307	48%	0.484	S	S	.	.	H	α-helix	trans	-83.5	-34.9	178	50.3	0	0	0	0	113.3	L110 Y290 V291 L292	L110-T294 HydrophobicContact CD2-CG2 4.36Å; Y290-T294 HydrophobicContact CD1-CG2 4.35Å; Y290-T294 HydrophobicContact CE1-CG2 4.06Å; Y290-T294 WeakPolarHBondContact O-CB 3.18Å; Y290-T294 VanDerWaalsContact O-CG2 3.27Å; Y290-T294 WeakPolarHBondContact O-CG2 3.47Å; Y290-T294 PolarHBondContact O-N 3.14Å; Y290-T294 PolarHBondContact O-OG1 3.27Å; V291-T294 WeakPolarHBondContact CA-OG1 3.35Å; V291-T294 PolarHBondContact O-N 3.26Å; V291-T294 PolarHBondContact O-OG1 3.33Å; V291-T294 VanDerWaalsContact O-OG1 3.07Å; L292-T294 VanDerWaalsContact C-N 3.28Å; L292-T294 PolarHBondContact O-N 2.87Å
295	Y	57	Low	49.3	Very low	162 Å²	162	95.1 Å²	95.1	64%	0.635	48%	0.477	S	S	*	.	H	α-helix	trans	-86.8	-37.6	-178.9	-90	-94.2	0	0	0	114.1	V291 L292 K297 F298	V291-Y295 HydrophobicContact CG1-CD2 3.74Å; V291-Y295 HydrophobicContact CG1-CE2 4.2Å; V291-Y295 VanDerWaalsContact O-CB 3.27Å; V291-Y295 WeakPolarHBondContact O-CB 3.38Å; V291-Y295 WeakPolarHBondContact O-CD2 3.46Å; V291-Y295 PolarHBondContact O-N 3.13Å; L292-Y295 PolarHBondContact O-N 3.15Å; Y295-K297 PolarHBondContact O-N 2.88Å; Y295-K297 VanDerWaalsContact O-N 3.11Å; Y295-F298 PolarHBondContact O-N 3.22Å
296	A	50.6	Low	49.2	Very low	63 Å²	63	95.9 Å²	95.9	52%	0.521	48%	0.48	S	S	.	.	H	α-helix	trans	-63.3	-22.4	-175	0	0	0	0	0	113.2	L292	L292-A296 WeakPolarHBondContact O-CB 3.42Å; L292-A296 PolarHBondContact O-N 2.92Å
297	K	45.8	Very low	49	Very low	74 Å²	74	99.3 Å²	99.3	32%	0.322	50%	0.496	S	S	.	.	H	α-helix	trans	-90.8	-19.3	171.8	-89.7	-179.1	179.4	170.8	0	114.6	I109 D112 Y295 V299 R300 F301	I109-K297 HydrophobicContact CG2-CD 4.05Å; D112-K297 IonicContact OD2-NZ 2.73Å; Y295-K297 PolarHBondContact O-N 2.88Å; Y295-K297 VanDerWaalsContact O-N 3.11Å; K297-V299 PolarHBondContact O-N 2.63Å; K297-R300 PolarHBondContact O-N 2.87Å; K297-F301 HydrophobicContact CB-CD2 4.49Å; K297-F301 WeakPolarHBondContact O-CB 3.37Å; K297-F301 PolarHBondContact O-N 3.28Å
298	F	38	Very low	48.6	Very low	146 Å²	146	103.6 Å²	103.6	64%	0.64	51%	0.509	S	S	*	.	H	α-helix	trans	-67	-29.8	174.3	-157.4	-92.9	0	0	0	111.7	Y295 N302	Y295-F298 PolarHBondContact O-N 3.22Å; F298-N302 WeakPolarHBondContact CD1-ND2 3.48Å; F298-N302 VanDerWaalsContact CE1-ND2 3.29Å; F298-N302 WeakPolarHBondContact CE1-ND2 3.34Å; F298-N302 PolarHBondContact O-ND2 3.28Å
299	V	38.2	Very low	48.2	Very low	93 Å²	93	107.9 Å²	107.9	56%	0.564	52%	0.522	S	S	*	.	H	α-helix	trans	-77.5	-38.2	172.4	179.3	0	0	0	0	111.4	K297 L303	K297-V299 PolarHBondContact O-N 2.63Å; V299-L303 HydrophobicContact CG1-CD1 3.75Å; V299-L303 WeakPolarHBondContact O-CB 3.26Å; V299-L303 WeakPolarHBondContact O-CD1 3.48Å; V299-L303 PolarHBondContact O-N 2.95Å
300	R	38.5	Very low	47.6	Very low	196 Å²	196	112.3 Å²	112.3	74%	0.74	54%	0.54	S	S	*	.	H	α-helix	trans	-74.2	-24.2	177.5	-88.7	-175.8	179.9	168.5	2.3	115	K297	K297-R300 PolarHBondContact O-N 2.87Å
301	F	39.1	Very low	46.7	Very low	156 Å²	156	117 Å²	117	68%	0.684	57%	0.566	S	S	*	*	H	α-helix	trans	-88.8	-14.1	176.1	-97.5	-85.5	0	0	0	114.3	K297	K297-F301 HydrophobicContact CB-CD2 4.49Å; K297-F301 WeakPolarHBondContact O-CB 3.37Å; K297-F301 PolarHBondContact O-N 3.28Å
302	N	39.4	Very low	45.7	Very low	111 Å²	111	120.5 Å²	120.5	59%	0.594	58%	0.576	S	S	*	*	S	Bend	trans	-100	6.2	172.2	-73.5	-56.1	0	0	0	113.2	F298	F298-N302 WeakPolarHBondContact CD1-ND2 3.48Å; F298-N302 VanDerWaalsContact CE1-ND2 3.29Å; F298-N302 WeakPolarHBondContact CE1-ND2 3.34Å; F298-N302 PolarHBondContact O-ND2 3.28Å
303	L	36.2	Very low	44.5	Very low	139 Å²	139	121.1 Å²	121.1	73%	0.728	57%	0.574	S	S	*	*			trans	-119.8	18.3	178.4	-80.6	166.1	0	0	0	113.2	V299	V299-L303 HydrophobicContact CG1-CD1 3.75Å; V299-L303 WeakPolarHBondContact O-CB 3.26Å; V299-L303 WeakPolarHBondContact O-CD1 3.48Å; V299-L303 PolarHBondContact O-N 2.95Å
304	K	33.8	Very low	43.3	Very low	256 Å²	256	131.5 Å²	131.5	100%	1.113	62%	0.622	S	S	*	*			trans	-133.7	0	166.8	-85.2	-171.5	175.2	-175.7	0	109.2

Retrieved 304 of 304 residues in 61.4 ms (Link to these results)

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