A0A096NIS9_PAPAN Loading...

Phosphodiesterase

Specifically hydrolyzes the second messenger cGMP, which is a key regulator of many important physiological processes. Highly specific: compared to other members of the cyclic nucleotide phosphodiesterase family, has the highest affinity and selectivity for cGMP. Specifically regulates natriuretic-peptide-dependent cGMP signaling in heart, acting as a regulator of cardiac hypertrophy in myocytes and muscle. Does not regulate nitric oxide-dependent cGMP in heart. Additional experiments are required to confirm whether its ability to hydrolyze natriuretic-peptide-dependent cGMP is specific to heart or is a general feature of the protein. In brain, involved in cognitive function, such as learning and long-term memory.

AlphaFold DB , UniProt , Accession A0A096NIS9, Species PAPAN (Papio anubis, Olive baboon), Gene PDE9A, Length 593 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	51	Low	254 Å²	254	116.7 Å²	116.7	100%	1.251	72%	0.715	S	S	*	*				0	127.7	0	-68.1	-164.4	-169	0	0	108.1
2	G	33.7	Very low	54.3	Low	84 Å²	84	109.2 Å²	109.2	87%	0.866	67%	0.673	S	S	*	*			trans	95.6	76.8	168.6	0	0	0	0	0	117.3
3	S	40.1	Very low	57.5	Low	124 Å²	124	100.8 Å²	100.8	87%	0.867	62%	0.621	S	S	*	*			trans	-80.4	106.6	163.7	52.5	0	0	0	0	110.5
4	G	30.9	Very low	60.2	Low	81 Å²	81	96.1 Å²	96.1	84%	0.835	59%	0.587	S	S	*	*			trans	-99.1	77.9	173.1	0	0	0	0	0	111.7	S6	G4-S6 PolarHBondContact O-N 3.32Å
5	S	40.7	Very low	62.5	Low	110 Å²	110	89.7 Å²	89.7	77%	0.769	55%	0.548	S	S	*	.			trans	-70.3	108.8	160.9	174.6	0	0	0	0	107.3	S7	S5-S7 PolarHBondContact O-N 2.84Å
6	S	39.2	Very low	64.2	Low	115 Å²	115	86.9 Å²	86.9	80%	0.804	53%	0.528	S	S	*	.			trans	-70.4	85.1	170.2	172.2	0	0	0	0	108.2	G4 Y8	G4-S6 PolarHBondContact O-N 3.32Å; S6-Y8 PolarHBondContact O-N 3.1Å
7	S	46.9	Very low	65.6	Low	82 Å²	82	83.5 Å²	83.5	57%	0.573	51%	0.506	S	S	*	.			trans	-59.8	104	167.2	62.6	0	0	0	0	107.9	S5 R9	S5-S7 PolarHBondContact O-N 2.84Å; S7-R9 PolarHBondContact O-N 2.99Å; S7-R9 VanDerWaalsContact O-N 3.13Å
8	Y	59.8	Low	66.3	Low	98 Å²	98	88.2 Å²	88.2	38%	0.384	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-62.6	116.6	173.8	177.7	-101.2	0	0	0	108.4	S6 K28	S6-Y8 PolarHBondContact O-N 3.1Å; Y8-K28 HydrophobicContact CD1-CG 4.3Å; Y8-K28 HydrophobicContact CD2-CB 4.39Å; Y8-K28 HydrophobicContact CD2-CD 3.64Å; Y8-K28 HydrophobicContact CD2-CG 4.01Å; Y8-K28 HydrophobicContact CE1-CB 4.18Å; Y8-K28 HydrophobicContact CE1-CD 4.49Å; Y8-K28 HydrophobicContact CE1-CG 3.85Å; Y8-K28 HydrophobicContact CE2-CB 3.46Å; Y8-K28 VanDerWaalsContact CE2-CB 3.46Å; Y8-K28 HydrophobicContact CE2-CD 3.58Å; Y8-K28 HydrophobicContact CE2-CG 3.54Å; Y8-K28 HydrophobicContact CG-CD 4.17Å; Y8-K28 HydrophobicContact CG-CG 4.39Å; Y8-K28 VanDerWaalsContact CZ-CG 3.49Å; Y8-K28 VanDerWaalsContact CZ-N 3.29Å; Y8-K28 VanDerWaalsContact OH-CA 3.32Å; Y8-K28 WeakPolarHBondContact OH-CA 3.34Å; Y8-K28 VanDerWaalsContact OH-CB 3.3Å; Y8-K28 WeakPolarHBondContact OH-CB 3.24Å; Y8-K28 PolarHBondContact OH-N 3.36Å
9	R	68.1	Low	67	Low	207 Å²	207	86.8 Å²	86.8	78%	0.781	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-91.9	125.7	173.7	-71.4	-169.4	-177.5	-170.2	1.5	108.4	S7	S7-R9 PolarHBondContact O-N 2.99Å; S7-R9 VanDerWaalsContact O-N 3.13Å
10	P	79.6	Confident	67.9	Low	79 Å²	79	92.9 Å²	92.9	51%	0.513	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-59.9	144	173.6	26.4	-33.3	0	0	0	109.9	I25	P10-I25 HydrophobicContact CB-CG2 3.67Å; P10-I25 HydrophobicContact CG-CG2 4.08Å
11	K	84.8	Confident	69	Low	50 Å²	50	92.6 Å²	92.6	22%	0.217	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.3	-175.5	-167.6	165.7	179.9	173.3	0	109	I25 F26 P65 M67	K11-I25 CarbonylContact O-C 3.58Å; K11-I25 VanDerWaalsContact O-CA 3.31Å; K11-I25 WeakPolarHBondContact O-CA 3.44Å; K11-F26 HydrophobicContact CB-CD2 4.27Å; K11-F26 HydrophobicContact CB-CE2 3.95Å; K11-F26 HydrophobicContact CB-CZ 4.25Å; K11-F26 HydrophobicContact CD-CE2 3.9Å; K11-F26 HydrophobicContact CD-CZ 3.97Å; K11-F26 HydrophobicContact CG-CE2 4.2Å; K11-F26 HydrophobicContact CG-CZ 4.11Å; K11-F26 PolarHBondContact N-O 3.42Å; K11-F26 PolarHBondContact O-N 3.17Å; K11-P65 PolarHBondContact NZ-O 2.92Å; K11-M67 WeakPolarHBondContact CE-O 3.41Å; K11-M67 PolarHBondContact NZ-O 3.19Å
12	A	91.3	Very high	71.7	Confident	26 Å²	26	84.5 Å²	84.5	22%	0.215	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.5	178.3	0	0	0	0	0	109.9	K23 V24 I25	A12-K23 HydrophobicContact CB-CG 4.38Å; A12-V24 CarbonylContact C-O 3.54Å; A12-V24 WeakPolarHBondContact CA-O 3.46Å; A12-I25 HydrophobicContact CB-CG1 4.14Å
13	I	95.1	Very high	74.5	Confident	0 Å²	0	85.9 Å²	85.9	0%	0	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.2	176	-62.1	-60.9	0	0	0	108.7	L15 V24 F26 F39 M67 N70 Y76	I13-L15 HydrophobicContact CG2-CD2 3.95Å; I13-V24 PolarHBondContact N-O 2.97Å; I13-V24 PolarHBondContact O-N 3.43Å; I13-F26 HydrophobicContact CB-CE1 4.31Å; I13-F26 HydrophobicContact CG1-CE1 3.53Å; I13-F26 HydrophobicContact CG1-CZ 3.92Å; I13-F39 HydrophobicContact CB-CE1 4.35Å; I13-F39 HydrophobicContact CB-CZ 4.27Å; I13-F39 HydrophobicContact CG1-CZ 4.42Å; I13-F39 HydrophobicContact CG2-CE1 4.27Å; I13-F39 HydrophobicContact CG2-CZ 3.97Å; I13-M67 HydrophobicContact CD1-CG 4.2Å; I13-M67 HydrophobicContact CD1-SD 4.21Å; I13-M67 HydrophobicContact CG1-SD 4.01Å; I13-N70 WeakPolarHBondContact CA-OD1 3.23Å; I13-Y76 HydrophobicContact CD1-CE2 4.3Å; I13-Y76 HydrophobicContact CG2-CD2 3.65Å; I13-Y76 HydrophobicContact CG2-CE2 4.04Å
14	Y	95.3	Very high	77	Confident	36 Å²	36	80.5 Å²	80.5	14%	0.141	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.1	178.6	-61.3	-93	0	0	0	109.7	I21 Q22 K23 N70 S71 E72 P75 Y76	Y14-I21 HydrophobicContact CD1-CG2 4.11Å; Y14-Q22 CarbonylContact C-O 3.57Å; Y14-Q22 WeakPolarHBondContact CA-O 3.18Å; Y14-K23 HydrophobicContact CD1-CB 3.99Å; Y14-K23 HydrophobicContact CD1-CG 4.15Å; Y14-K23 HydrophobicContact CE1-CB 3.87Å; Y14-K23 HydrophobicContact CE1-CD 3.78Å; Y14-K23 HydrophobicContact CE1-CG 3.72Å; Y14-K23 WeakPolarHBondContact OH-CE 3.43Å; Y14-N70 PolarHBondContact N-OD1 2.92Å; Y14-N70 PolarHBondContact O-ND2 3.07Å; Y14-S71 VanDerWaalsContact CD2-CA 3.45Å; Y14-E72 HydrophobicContact CD1-CB 4.41Å; Y14-E72 HydrophobicContact CD1-CG 3.45Å; Y14-E72 VanDerWaalsContact CD1-CG 3.45Å; Y14-E72 HydrophobicContact CE1-CG 3.3Å; Y14-E72 HydrophobicContact CG-CG 4.28Å; Y14-P75 WeakPolarHBondContact O-CA 3.34Å; Y14-Y76 PolarHBondContact O-N 2.88Å
15	L	94.8	Very high	79.9	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.7	-179.8	-56.3	179.2	0	0	0	109.8	I13 I17 I21 Q22 V24 F39 A42 L53 Y76 V78	I13-L15 HydrophobicContact CG2-CD2 3.95Å; L15-I17 HydrophobicContact CB-CD1 4.37Å; L15-I17 HydrophobicContact CB-CG1 4.22Å; L15-I21 CarbonylContact O-C 3.47Å; L15-I21 VanDerWaalsContact O-CA 3.3Å; L15-I21 WeakPolarHBondContact O-CA 3.34Å; L15-Q22 PolarHBondContact N-O 3.26Å; L15-Q22 PolarHBondContact O-N 2.88Å; L15-V24 HydrophobicContact CD1-CG2 3.72Å; L15-V24 HydrophobicContact CG-CG2 4.26Å; L15-F39 HydrophobicContact CD1-CB 4.23Å; L15-F39 HydrophobicContact CD1-CD1 3.77Å; L15-F39 HydrophobicContact CD1-CE1 4.36Å; L15-F39 HydrophobicContact CD1-CG 4.05Å; L15-A42 HydrophobicContact CD1-CB 4.01Å; L15-L53 HydrophobicContact CD2-CD1 3.74Å; L15-Y76 CarbonylContact C-O 3.58Å; L15-Y76 VanDerWaalsContact CA-O 3.27Å; L15-Y76 WeakPolarHBondContact CA-O 3.45Å; L15-V78 HydrophobicContact CB-CG2 4.37Å; L15-V78 HydrophobicContact CD1-CG2 4.01Å; L15-V78 HydrophobicContact CD2-CG2 3.9Å; L15-V78 HydrophobicContact CG-CG2 4.32Å
16	D	90.9	Very high	82.2	Confident	44 Å²	44	76.1 Å²	76.1	24%	0.235	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	114.7	168.5	-177.3	6.8	0	0	0	108.7	G19 P75 Y76 K77	D16-G19 WeakPolarHBondContact OD1-CA 3.23Å; D16-G19 PolarHBondContact OD1-N 3.03Å; D16-P75 HydrophobicContact CB-CB 3.92Å; D16-P75 HydrophobicContact CB-CG 3.87Å; D16-Y76 PolarHBondContact N-O 3.49Å; D16-K77 HydrophobicContact CB-CG 4.37Å
17	I	86.4	Confident	84.4	Confident	30 Å²	30	72.5 Å²	72.5	15%	0.154	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	101.6	-178	-53	167.6	0	0	0	106.5	L15 G19 R20 Q22 A42 T43	L15-I17 HydrophobicContact CB-CD1 4.37Å; L15-I17 HydrophobicContact CB-CG1 4.22Å; I17-G19 PolarHBondContact O-N 2.93Å; I17-R20 PolarHBondContact N-O 2.87Å; I17-R20 WeakPolarHBondContact O-CB 3.42Å; I17-R20 PolarHBondContact O-N 3.19Å; I17-Q22 HydrophobicContact CD1-CB 3.82Å; I17-Q22 HydrophobicContact CD1-CG 4.44Å; I17-A42 HydrophobicContact CD1-CB 4.45Å; I17-A42 WeakPolarHBondContact CD1-O 3.34Å; I17-T43 HydrophobicContact CD1-CG2 3.79Å; I17-T43 HydrophobicContact CG1-CG2 3.8Å
18	D	79.6	Confident	85.8	Confident	167 Å²	167	74 Å²	74	89%	0.893	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	41.5	-178.9	-58.9	-38.9	0	0	0	113.9	R20	D18-R20 VanDerWaalsContact C-N 3.34Å
19	G	79.5	Confident	86.7	Confident	63 Å²	63	78 Å²	78	65%	0.649	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	6.9	179.9	0	0	0	0	0	114.3	D16 I17	D16-G19 WeakPolarHBondContact OD1-CA 3.23Å; D16-G19 PolarHBondContact OD1-N 3.03Å; I17-G19 PolarHBondContact O-N 2.93Å
20	R	85.1	Confident	87.4	Confident	207 Å²	207	69.2 Å²	69.2	78%	0.781	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.4	173.5	-62.9	-176.1	-179.7	-176.5	1.5	110.6	I17 D18	I17-R20 PolarHBondContact N-O 2.87Å; I17-R20 WeakPolarHBondContact O-CB 3.42Å; I17-R20 PolarHBondContact O-N 3.19Å; D18-R20 VanDerWaalsContact C-N 3.34Å
21	I	91.2	Very high	87.7	Confident	87 Å²	87	69.3 Å²	69.3	45%	0.446	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.5	179	-53.6	-174.3	0	0	0	109.7	Y14 L15 E72 P75	Y14-I21 HydrophobicContact CD1-CG2 4.11Å; L15-I21 CarbonylContact O-C 3.47Å; L15-I21 VanDerWaalsContact O-CA 3.3Å; L15-I21 WeakPolarHBondContact O-CA 3.34Å; I21-E72 WeakPolarHBondContact CD1-O 3.4Å; I21-E72 HydrophobicContact CG2-CG 4.45Å; I21-P75 HydrophobicContact CD1-CG 4.26Å; I21-P75 HydrophobicContact CG1-CG 4.46Å; I21-P75 HydrophobicContact CG2-CB 4.44Å
22	Q	91.9	Very high	87.8	Confident	85 Å²	85	69.4 Å²	69.4	40%	0.397	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136	178.9	-134.2	-171.5	78	0	0	110.6	Y14 L15 I17 A42	Y14-Q22 CarbonylContact C-O 3.57Å; Y14-Q22 WeakPolarHBondContact CA-O 3.18Å; L15-Q22 PolarHBondContact N-O 3.26Å; L15-Q22 PolarHBondContact O-N 2.88Å; I17-Q22 HydrophobicContact CD1-CB 3.82Å; I17-Q22 HydrophobicContact CD1-CG 4.44Å; Q22-A42 PolarHBondContact NE2-O 3.45Å; Q22-A42 PolarHBondContact OE1-O 3.14Å; Q22-A42 VanDerWaalsContact OE1-O 3.07Å
23	K	93.6	Very high	87.6	Confident	112 Å²	112	71.7 Å²	71.7	49%	0.487	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117.4	-178.6	-176.2	-176.4	-176.7	176.5	0	110.1	A12 Y14 I25	A12-K23 HydrophobicContact CB-CG 4.38Å; Y14-K23 HydrophobicContact CD1-CB 3.99Å; Y14-K23 HydrophobicContact CD1-CG 4.15Å; Y14-K23 HydrophobicContact CE1-CB 3.87Å; Y14-K23 HydrophobicContact CE1-CD 3.78Å; Y14-K23 HydrophobicContact CE1-CG 3.72Å; Y14-K23 WeakPolarHBondContact OH-CE 3.43Å; K23-I25 HydrophobicContact CD-CD1 4.28Å; K23-I25 HydrophobicContact CD-CG1 4.39Å; K23-I25 HydrophobicContact CG-CG1 4.17Å
24	V	92.4	Very high	87.3	Confident	11 Å²	11	74.8 Å²	74.8	7%	0.067	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.1	174.2	-175.7	0	0	0	0	108.9	A12 I13 L15 L38 F39 A42	A12-V24 CarbonylContact C-O 3.54Å; A12-V24 WeakPolarHBondContact CA-O 3.46Å; I13-V24 PolarHBondContact N-O 2.97Å; I13-V24 PolarHBondContact O-N 3.43Å; L15-V24 HydrophobicContact CD1-CG2 3.72Å; L15-V24 HydrophobicContact CG-CG2 4.26Å; V24-L38 HydrophobicContact CG1-CB 3.96Å; V24-F39 HydrophobicContact CB-CD1 4.24Å; V24-F39 HydrophobicContact CB-CE1 4.05Å; V24-F39 HydrophobicContact CG1-CD1 3.99Å; V24-F39 HydrophobicContact CG1-CE1 3.93Å; V24-F39 HydrophobicContact CG2-CD1 4.16Å; V24-F39 HydrophobicContact CG2-CE1 4.4Å; V24-A42 HydrophobicContact CG2-CB 3.62Å
25	I	90.7	Very high	87.1	Confident	90 Å²	90	73 Å²	73	46%	0.462	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.3	-179.3	-55.8	177.8	0	0	0	108.5	P10 K11 A12 K23	P10-I25 HydrophobicContact CB-CG2 3.67Å; P10-I25 HydrophobicContact CG-CG2 4.08Å; K11-I25 CarbonylContact O-C 3.58Å; K11-I25 VanDerWaalsContact O-CA 3.31Å; K11-I25 WeakPolarHBondContact O-CA 3.44Å; A12-I25 HydrophobicContact CB-CG1 4.14Å; K23-I25 HydrophobicContact CD-CD1 4.28Å; K23-I25 HydrophobicContact CD-CG1 4.39Å; K23-I25 HydrophobicContact CG-CG1 4.17Å
26	F	89.3	Confident	86.9	Confident	9 Å²	9	75.3 Å²	75.3	4%	0.039	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	158.7	177.7	57	-95.6	0	0	0	112.1	K11 I13 C30 I35 L38 F39 M67	K11-F26 HydrophobicContact CB-CD2 4.27Å; K11-F26 HydrophobicContact CB-CE2 3.95Å; K11-F26 HydrophobicContact CB-CZ 4.25Å; K11-F26 HydrophobicContact CD-CE2 3.9Å; K11-F26 HydrophobicContact CD-CZ 3.97Å; K11-F26 HydrophobicContact CG-CE2 4.2Å; K11-F26 HydrophobicContact CG-CZ 4.11Å; K11-F26 PolarHBondContact N-O 3.42Å; K11-F26 PolarHBondContact O-N 3.17Å; I13-F26 HydrophobicContact CB-CE1 4.31Å; I13-F26 HydrophobicContact CG1-CE1 3.53Å; I13-F26 HydrophobicContact CG1-CZ 3.92Å; F26-C30 HydrophobicContact CB-CB 4.29Å; F26-C30 HydrophobicContact CD2-CB 4.46Å; F26-I35 HydrophobicContact CD1-CG1 4.45Å; F26-I35 HydrophobicContact CD1-CG2 4.48Å; F26-I35 HydrophobicContact CD2-CD1 3.97Å; F26-I35 HydrophobicContact CD2-CG1 3.98Å; F26-I35 HydrophobicContact CE1-CG2 4.13Å; F26-I35 HydrophobicContact CE2-CD1 3.65Å; F26-I35 HydrophobicContact CE2-CG1 4.08Å; F26-I35 HydrophobicContact CG-CG1 4.18Å; F26-I35 HydrophobicContact CZ-CD1 4.05Å; F26-I35 HydrophobicContact CZ-CG1 4.35Å; F26-I35 HydrophobicContact CZ-CG2 4.33Å; F26-L38 HydrophobicContact CB-CD1 3.83Å; F26-F39 HydrophobicContact CE1-CE1 4.34Å; F26-F39 HydrophobicContact CE1-CZ 4.29Å; F26-M67 HydrophobicContact CE1-SD 4.36Å; F26-M67 HydrophobicContact CZ-CG 4.5Å; F26-M67 HydrophobicContact CZ-SD 3.95Å
27	S	85.6	Confident	86.7	Confident	39 Å²	39	75.2 Å²	75.2	27%	0.273	39%	0.387	S	S	.	.			trans	-90.1	168.7	-179.7	86.4	0	0	0	0	111.3	Y29 C30	S27-Y29 PolarHBondContact O-N 3.03Å; S27-Y29 PolarHBondContact OG-N 2.92Å; S27-C30 PolarHBondContact O-N 3.44Å
28	K	77.3	Confident	86.9	Confident	114 Å²	114	76.5 Å²	76.5	50%	0.496	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.6	176.7	56.7	172	-178.6	174.6	0	113	Y8	Y8-K28 HydrophobicContact CD1-CG 4.3Å; Y8-K28 HydrophobicContact CD2-CB 4.39Å; Y8-K28 HydrophobicContact CD2-CD 3.64Å; Y8-K28 HydrophobicContact CD2-CG 4.01Å; Y8-K28 HydrophobicContact CE1-CB 4.18Å; Y8-K28 HydrophobicContact CE1-CD 4.49Å; Y8-K28 HydrophobicContact CE1-CG 3.85Å; Y8-K28 HydrophobicContact CE2-CB 3.46Å; Y8-K28 VanDerWaalsContact CE2-CB 3.46Å; Y8-K28 HydrophobicContact CE2-CD 3.58Å; Y8-K28 HydrophobicContact CE2-CG 3.54Å; Y8-K28 HydrophobicContact CG-CD 4.17Å; Y8-K28 HydrophobicContact CG-CG 4.39Å; Y8-K28 VanDerWaalsContact CZ-CG 3.49Å; Y8-K28 VanDerWaalsContact CZ-N 3.29Å; Y8-K28 VanDerWaalsContact OH-CA 3.32Å; Y8-K28 WeakPolarHBondContact OH-CA 3.34Å; Y8-K28 VanDerWaalsContact OH-CB 3.3Å; Y8-K28 WeakPolarHBondContact OH-CB 3.24Å; Y8-K28 PolarHBondContact OH-N 3.36Å
29	Y	78.6	Confident	87.6	Confident	181 Å²	181	68.6 Å²	68.6	71%	0.71	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-10.7	-179.6	-53.9	-73.9	0	0	0	112.1	S27 N31	S27-Y29 PolarHBondContact O-N 3.03Å; S27-Y29 PolarHBondContact OG-N 2.92Å; Y29-N31 PolarHBondContact O-N 3.47Å
30	C	83.4	Confident	88	Confident	24 Å²	24	65.6 Å²	65.6	16%	0.162	32%	0.321	C	S	.	.			trans	-70.1	129.2	173.7	-63.1	0	0	0	0	109	F26 S27 D34 I35 P65	F26-C30 HydrophobicContact CB-CB 4.29Å; F26-C30 HydrophobicContact CD2-CB 4.46Å; S27-C30 PolarHBondContact O-N 3.44Å; C30-D34 WeakPolarHBondContact CA-OD2 3.47Å; C30-D34 HydrophobicContact CB-CB 3.98Å; C30-I35 HydrophobicContact CB-CG1 3.99Å; C30-P65 WeakPolarHBondContact O-CG 3.23Å
31	N	85.3	Confident	88.1	Confident	81 Å²	81	59.8 Å²	59.8	43%	0.433	30%	0.304	S	S	.	.			trans	-84.4	176.2	171.2	66.2	53.8	0	0	0	110.6	Y29 S33 D34 I35	Y29-N31 PolarHBondContact O-N 3.47Å; N31-S33 VanDerWaalsContact C-N 3.26Å; N31-S33 PolarHBondContact O-N 2.83Å; N31-S33 WeakPolarHBondContact OD1-CA 3.3Å; N31-S33 WeakPolarHBondContact OD1-CB 3.42Å; N31-S33 PolarHBondContact OD1-N 3.38Å; N31-D34 VanDerWaalsContact CG-OD2 3.23Å; N31-D34 PolarHBondContact N-OD2 3.42Å; N31-D34 PolarHBondContact ND2-OD2 2.94Å; N31-D34 PolarHBondContact O-N 3.47Å; N31-D34 PolarHBondContact OD1-N 2.96Å; N31-I35 VanDerWaalsContact O-CG1 3.32Å; N31-I35 WeakPolarHBondContact O-CG1 3.5Å; N31-I35 PolarHBondContact O-N 3.28Å; N31-I35 VanDerWaalsContact O-N 3.08Å
32	S	87.6	Confident	87.9	Confident	52 Å²	52	56.2 Å²	56.2	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-58.9	-34.7	-179.4	-61.2	0	0	0	0	113.8	I35 M36 I63 D64	S32-I35 PolarHBondContact O-N 3.47Å; S32-M36 WeakPolarHBondContact O-CB 3.44Å; S32-M36 PolarHBondContact O-N 3.33Å; S32-I63 VanDerWaalsContact CB-O 3.28Å; S32-I63 WeakPolarHBondContact CB-O 3.45Å; S32-I63 PolarHBondContact OG-O 3.11Å; S32-D64 WeakPolarHBondContact OG-CA 3.36Å; S32-D64 VanDerWaalsContact OG-CB 3.23Å; S32-D64 WeakPolarHBondContact OG-CB 3.28Å
33	S	86.7	Confident	87.6	Confident	74 Å²	74	53.5 Å²	53.5	52%	0.517	28%	0.277	S	S	.	.	H	α-helix	trans	-68.3	-44.3	177.1	-162.9	0	0	0	0	111.2	N31 I35 M36 D37	N31-S33 VanDerWaalsContact C-N 3.26Å; N31-S33 PolarHBondContact O-N 2.83Å; N31-S33 WeakPolarHBondContact OD1-CA 3.3Å; N31-S33 WeakPolarHBondContact OD1-CB 3.42Å; N31-S33 PolarHBondContact OD1-N 3.38Å; S33-I35 VanDerWaalsContact C-N 3.27Å; S33-I35 PolarHBondContact O-N 3.02Å; S33-M36 WeakPolarHBondContact O-CB 3.49Å; S33-M36 PolarHBondContact O-N 3.06Å; S33-D37 PolarHBondContact O-N 3.22Å
34	D	88.5	Confident	87.1	Confident	64 Å²	64	51.4 Å²	51.4	34%	0.342	29%	0.287	S	S	.	.	H	α-helix	trans	-60.4	-40.4	176.6	-57.1	-35.7	0	0	0	111.2	C30 N31 L38	C30-D34 WeakPolarHBondContact CA-OD2 3.47Å; C30-D34 HydrophobicContact CB-CB 3.98Å; N31-D34 VanDerWaalsContact CG-OD2 3.23Å; N31-D34 PolarHBondContact N-OD2 3.42Å; N31-D34 PolarHBondContact ND2-OD2 2.94Å; N31-D34 PolarHBondContact O-N 3.47Å; N31-D34 PolarHBondContact OD1-N 2.96Å; D34-L38 WeakPolarHBondContact O-CB 3.4Å; D34-L38 VanDerWaalsContact O-CG 3.23Å; D34-L38 WeakPolarHBondContact O-CG 3.39Å; D34-L38 PolarHBondContact O-N 3.13Å
35	I	91	Very high	86.8	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.1	-41	178.3	-63.4	167	0	0	0	110.4	F26 C30 N31 S32 S33 L38 F39 I63 P65 M67	F26-I35 HydrophobicContact CD1-CG1 4.45Å; F26-I35 HydrophobicContact CD1-CG2 4.48Å; F26-I35 HydrophobicContact CD2-CD1 3.97Å; F26-I35 HydrophobicContact CD2-CG1 3.98Å; F26-I35 HydrophobicContact CE1-CG2 4.13Å; F26-I35 HydrophobicContact CE2-CD1 3.65Å; F26-I35 HydrophobicContact CE2-CG1 4.08Å; F26-I35 HydrophobicContact CG-CG1 4.18Å; F26-I35 HydrophobicContact CZ-CD1 4.05Å; F26-I35 HydrophobicContact CZ-CG1 4.35Å; F26-I35 HydrophobicContact CZ-CG2 4.33Å; C30-I35 HydrophobicContact CB-CG1 3.99Å; N31-I35 VanDerWaalsContact O-CG1 3.32Å; N31-I35 WeakPolarHBondContact O-CG1 3.5Å; N31-I35 PolarHBondContact O-N 3.28Å; N31-I35 VanDerWaalsContact O-N 3.08Å; S32-I35 PolarHBondContact O-N 3.47Å; S33-I35 VanDerWaalsContact C-N 3.27Å; S33-I35 PolarHBondContact O-N 3.02Å; I35-L38 PolarHBondContact O-N 3.39Å; I35-F39 HydrophobicContact CG2-CD1 4.46Å; I35-F39 HydrophobicContact CG2-CD2 4.2Å; I35-F39 HydrophobicContact CG2-CE1 3.94Å; I35-F39 HydrophobicContact CG2-CE2 3.63Å; I35-F39 HydrophobicContact CG2-CZ 3.49Å; I35-F39 VanDerWaalsContact CG2-CZ 3.49Å; I35-F39 VanDerWaalsContact O-CG 3.32Å; I35-F39 WeakPolarHBondContact O-CG 3.36Å; I35-F39 PolarHBondContact O-N 2.91Å; I35-I63 HydrophobicContact CB-CG2 4.26Å; I35-I63 HydrophobicContact CG2-CG2 3.77Å; I35-P65 HydrophobicContact CD1-CB 4.22Å; I35-P65 HydrophobicContact CD1-CG 3.78Å; I35-M67 HydrophobicContact CG2-SD 4.34Å
36	M	89.6	Confident	86.5	Confident	48 Å²	48	53.3 Å²	53.3	24%	0.236	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-45.1	176.7	-165.4	166.7	-163.6	0	0	111.4	S32 S33 L38 F39 C40 T50 I51 I63	S32-M36 WeakPolarHBondContact O-CB 3.44Å; S32-M36 PolarHBondContact O-N 3.33Å; S33-M36 WeakPolarHBondContact O-CB 3.49Å; S33-M36 PolarHBondContact O-N 3.06Å; M36-L38 VanDerWaalsContact C-N 3.34Å; M36-L38 PolarHBondContact O-N 2.65Å; M36-F39 PolarHBondContact O-N 3.28Å; M36-F39 VanDerWaalsContact O-N 3.16Å; M36-C40 PolarHBondContact O-N 3.14Å; M36-C40 PolarHBondContact O-SG 3Å; M36-C40 VanDerWaalsContact O-SG 3.37Å; M36-T50 HydrophobicContact CE-CG2 4.17Å; M36-I51 HydrophobicContact CE-CG1 3.68Å; M36-I51 HydrophobicContact CG-CD1 4.33Å; M36-I51 HydrophobicContact CG-CG1 4.04Å; M36-I63 HydrophobicContact CB-CG2 4.24Å
37	D	87.8	Confident	85.7	Confident	42 Å²	42	60.2 Å²	60.2	23%	0.225	33%	0.329	C	S	.	.	H	α-helix	trans	-58.4	-45.1	173.6	-86.8	7.6	0	0	0	111.8	S33 F39 C40 I41 R47	S33-D37 PolarHBondContact O-N 3.22Å; D37-F39 VanDerWaalsContact C-N 3.3Å; D37-F39 PolarHBondContact O-N 3.46Å; D37-C40 PolarHBondContact O-N 2.93Å; D37-I41 WeakPolarHBondContact O-CB 3.48Å; D37-I41 WeakPolarHBondContact O-CD1 3.45Å; D37-I41 WeakPolarHBondContact O-CG1 3.46Å; D37-I41 PolarHBondContact O-N 3.33Å; D37-R47 VanDerWaalsContact OD1-O 3.09Å
38	L	91.2	Very high	85	Confident	57 Å²	57	65.6 Å²	65.6	30%	0.298	36%	0.355	S	S	.	.	H	α-helix	trans	-61.4	-38.4	176.9	-74.8	170.6	0	0	0	112.1	V24 F26 D34 I35 M36 A42	V24-L38 HydrophobicContact CG1-CB 3.96Å; F26-L38 HydrophobicContact CB-CD1 3.83Å; D34-L38 WeakPolarHBondContact O-CB 3.4Å; D34-L38 VanDerWaalsContact O-CG 3.23Å; D34-L38 WeakPolarHBondContact O-CG 3.39Å; D34-L38 PolarHBondContact O-N 3.13Å; I35-L38 PolarHBondContact O-N 3.39Å; M36-L38 VanDerWaalsContact C-N 3.34Å; M36-L38 PolarHBondContact O-N 2.65Å; L38-A42 VanDerWaalsContact O-CB 3.3Å; L38-A42 WeakPolarHBondContact O-CB 3.28Å; L38-A42 PolarHBondContact O-N 3.01Å
39	F	92.8	Very high	85.3	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-71.9	-38.2	176.2	-67	-7.6	0	0	0	112.2	I13 L15 V24 F26 I35 M36 D37 A42 T43 I51 L53 I63 M67	I13-F39 HydrophobicContact CB-CE1 4.35Å; I13-F39 HydrophobicContact CB-CZ 4.27Å; I13-F39 HydrophobicContact CG1-CZ 4.42Å; I13-F39 HydrophobicContact CG2-CE1 4.27Å; I13-F39 HydrophobicContact CG2-CZ 3.97Å; L15-F39 HydrophobicContact CD1-CB 4.23Å; L15-F39 HydrophobicContact CD1-CD1 3.77Å; L15-F39 HydrophobicContact CD1-CE1 4.36Å; L15-F39 HydrophobicContact CD1-CG 4.05Å; V24-F39 HydrophobicContact CB-CD1 4.24Å; V24-F39 HydrophobicContact CB-CE1 4.05Å; V24-F39 HydrophobicContact CG1-CD1 3.99Å; V24-F39 HydrophobicContact CG1-CE1 3.93Å; V24-F39 HydrophobicContact CG2-CD1 4.16Å; V24-F39 HydrophobicContact CG2-CE1 4.4Å; F26-F39 HydrophobicContact CE1-CE1 4.34Å; F26-F39 HydrophobicContact CE1-CZ 4.29Å; I35-F39 HydrophobicContact CG2-CD1 4.46Å; I35-F39 HydrophobicContact CG2-CD2 4.2Å; I35-F39 HydrophobicContact CG2-CE1 3.94Å; I35-F39 HydrophobicContact CG2-CE2 3.63Å; I35-F39 HydrophobicContact CG2-CZ 3.49Å; I35-F39 VanDerWaalsContact CG2-CZ 3.49Å; I35-F39 VanDerWaalsContact O-CG 3.32Å; I35-F39 WeakPolarHBondContact O-CG 3.36Å; I35-F39 PolarHBondContact O-N 2.91Å; M36-F39 PolarHBondContact O-N 3.28Å; M36-F39 VanDerWaalsContact O-N 3.16Å; D37-F39 VanDerWaalsContact C-N 3.3Å; D37-F39 PolarHBondContact O-N 3.46Å; F39-A42 PolarHBondContact O-N 3.46Å; F39-T43 WeakPolarHBondContact O-CB 3.37Å; F39-T43 VanDerWaalsContact O-CG2 3.27Å; F39-T43 WeakPolarHBondContact O-CG2 3.43Å; F39-T43 PolarHBondContact O-N 3.2Å; F39-T43 PolarHBondContact O-OG1 2.87Å; F39-I51 HydrophobicContact CB-CD1 3.56Å; F39-I51 HydrophobicContact CD2-CD1 4.37Å; F39-L53 HydrophobicContact CE2-CD2 4.02Å; F39-I63 HydrophobicContact CD2-CD1 4.34Å; F39-I63 HydrophobicContact CD2-CG1 4.49Å; F39-I63 HydrophobicContact CD2-CG2 4.01Å; F39-I63 HydrophobicContact CE2-CG1 4.46Å; F39-I63 HydrophobicContact CE2-CG2 3.92Å; F39-M67 HydrophobicContact CE2-CE 3.81Å; F39-M67 HydrophobicContact CE2-SD 4.12Å; F39-M67 HydrophobicContact CZ-CE 3.96Å; F39-M67 HydrophobicContact CZ-SD 3.84Å
40	C	87.8	Confident	85.5	Confident	0 Å²	0	57 Å²	57	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-60.7	-46.2	171.8	-72.5	0	0	0	0	111.1	M36 D37 A42 T43 G44 L45 T49	M36-C40 PolarHBondContact O-N 3.14Å; M36-C40 PolarHBondContact O-SG 3Å; M36-C40 VanDerWaalsContact O-SG 3.37Å; D37-C40 PolarHBondContact O-N 2.93Å; C40-A42 PolarHBondContact O-N 3.09Å; C40-T43 WeakPolarHBondContact CA-OG1 3.42Å; C40-T43 CarbonylContact O-C 3.59Å; C40-T43 PolarHBondContact O-N 2.97Å; C40-T43 PolarHBondContact O-OG1 3.18Å; C40-G44 PolarHBondContact O-N 2.95Å; C40-L45 CarbonylContact C-O 3.5Å; C40-L45 HydrophobicContact CB-CB 4.24Å; C40-L45 PolarHBondContact O-N 3.46Å; C40-T49 PolarHBondContact SG-O 2.95Å; C40-T49 VanDerWaalsContact SG-O 3.35Å
41	I	87.9	Confident	85.8	Confident	85 Å²	85	56.3 Å²	56.3	44%	0.436	33%	0.325	S	S	.	.	H	α-helix	trans	-60.4	-46.7	176	-67.2	162	0	0	0	110.9	D37 T43 G44 R47	D37-I41 WeakPolarHBondContact O-CB 3.48Å; D37-I41 WeakPolarHBondContact O-CD1 3.45Å; D37-I41 WeakPolarHBondContact O-CG1 3.46Å; D37-I41 PolarHBondContact O-N 3.33Å; I41-T43 VanDerWaalsContact C-N 3.25Å; I41-T43 PolarHBondContact O-N 3.34Å; I41-G44 PolarHBondContact O-N 3.37Å; I41-R47 HydrophobicContact CD1-CG 4.39Å; I41-R47 HydrophobicContact CG1-CG 4.06Å
42	A	87.3	Confident	86	Confident	13 Å²	13	54.3 Å²	54.3	11%	0.107	32%	0.318	C	S	.	.	H	α-helix	trans	-58.3	-38.8	179.2	0	0	0	0	0	112.3	L15 I17 Q22 V24 L38 F39 C40	L15-A42 HydrophobicContact CD1-CB 4.01Å; I17-A42 HydrophobicContact CD1-CB 4.45Å; I17-A42 WeakPolarHBondContact CD1-O 3.34Å; Q22-A42 PolarHBondContact NE2-O 3.45Å; Q22-A42 PolarHBondContact OE1-O 3.14Å; Q22-A42 VanDerWaalsContact OE1-O 3.07Å; V24-A42 HydrophobicContact CG2-CB 3.62Å; L38-A42 VanDerWaalsContact O-CB 3.3Å; L38-A42 WeakPolarHBondContact O-CB 3.28Å; L38-A42 PolarHBondContact O-N 3.01Å; F39-A42 PolarHBondContact O-N 3.46Å; C40-A42 PolarHBondContact O-N 3.09Å
43	T	84.4	Confident	86.2	Confident	27 Å²	27	52 Å²	52	17%	0.166	30%	0.301	C	S	.	.	H	α-helix	trans	-86.7	-3	-178.6	54.8	0	0	0	0	114.3	I17 F39 C40 I41 L45 V78	I17-T43 HydrophobicContact CD1-CG2 3.79Å; I17-T43 HydrophobicContact CG1-CG2 3.8Å; F39-T43 WeakPolarHBondContact O-CB 3.37Å; F39-T43 VanDerWaalsContact O-CG2 3.27Å; F39-T43 WeakPolarHBondContact O-CG2 3.43Å; F39-T43 PolarHBondContact O-N 3.2Å; F39-T43 PolarHBondContact O-OG1 2.87Å; C40-T43 WeakPolarHBondContact CA-OG1 3.42Å; C40-T43 CarbonylContact O-C 3.59Å; C40-T43 PolarHBondContact O-N 2.97Å; C40-T43 PolarHBondContact O-OG1 3.18Å; I41-T43 VanDerWaalsContact C-N 3.25Å; I41-T43 PolarHBondContact O-N 3.34Å; T43-L45 PolarHBondContact O-N 3.12Å; T43-L45 WeakPolarHBondContact OG1-CD1 3.35Å; T43-L45 WeakPolarHBondContact OG1-CG 3.44Å; T43-V78 HydrophobicContact CG2-CB 3.7Å; T43-V78 HydrophobicContact CG2-CG1 3.86Å; T43-V78 HydrophobicContact CG2-CG2 3.74Å
44	G	84.4	Confident	86.4	Confident	68 Å²	68	49.1 Å²	49.1	70%	0.701	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	16.7	-176.2	0	0	0	0	0	113.9	C40 I41	C40-G44 PolarHBondContact O-N 2.95Å; I41-G44 PolarHBondContact O-N 3.37Å
45	L	85.3	Confident	86.6	Confident	46 Å²	46	47.5 Å²	47.5	24%	0.241	27%	0.272	C	S	.	.			trans	-86	151.1	175.3	-63	172.6	0	0	0	110.7	C40 T43 T49 I51 P80	C40-L45 CarbonylContact C-O 3.5Å; C40-L45 HydrophobicContact CB-CB 4.24Å; C40-L45 PolarHBondContact O-N 3.46Å; T43-L45 PolarHBondContact O-N 3.12Å; T43-L45 WeakPolarHBondContact OG1-CD1 3.35Å; T43-L45 WeakPolarHBondContact OG1-CG 3.44Å; L45-T49 HydrophobicContact CB-CG2 4.44Å; L45-T49 HydrophobicContact CD1-CG2 4.22Å; L45-I51 HydrophobicContact CD1-CG2 3.5Å; L45-P80 HydrophobicContact CD1-CG 3.9Å; L45-P80 HydrophobicContact CD2-CG 4.01Å
46	P	84.1	Confident	86.3	Confident	95 Å²	95	50.6 Å²	50.6	62%	0.617	29%	0.291	S	S	*	.			trans	-53.9	140	168.1	-23.1	31.4	0	0	0	111.2	N48 T49	P46-N48 PolarHBondContact O-N 3.14Å; P46-T49 VanDerWaalsContact CD-OG1 3.31Å; P46-T49 WeakPolarHBondContact CD-OG1 3.35Å; P46-T49 VanDerWaalsContact O-CB 3.28Å; P46-T49 WeakPolarHBondContact O-CB 3.47Å; P46-T49 PolarHBondContact O-N 2.91Å; P46-T49 PolarHBondContact O-OG1 3.37Å
47	R	74.1	Confident	86.1	Confident	154 Å²	154	55 Å²	55	58%	0.581	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-35.3	-174.1	-69.9	-176.3	-177.5	-174.1	-1.9	113.5	D37 I41 T49	D37-R47 VanDerWaalsContact OD1-O 3.09Å; I41-R47 HydrophobicContact CD1-CG 4.39Å; I41-R47 HydrophobicContact CG1-CG 4.06Å; R47-T49 VanDerWaalsContact C-N 3.31Å; R47-T49 PolarHBondContact O-N 3.33Å
48	N	70.2	Confident	86	Confident	152 Å²	152	57.2 Å²	57.2	81%	0.813	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	14.5	-179.4	-58.9	-2	0	0	0	114.6	P46 T50	P46-N48 PolarHBondContact O-N 3.14Å; N48-T50 PolarHBondContact O-N 3.49Å
49	T	82.5	Confident	85.7	Confident	33 Å²	33	57 Å²	57	20%	0.202	33%	0.334	C	S	.	.			trans	-76.2	122.6	179.2	-53.8	0	0	0	0	109.9	C40 L45 P46 R47 I51 P80	C40-T49 PolarHBondContact SG-O 2.95Å; C40-T49 VanDerWaalsContact SG-O 3.35Å; L45-T49 HydrophobicContact CB-CG2 4.44Å; L45-T49 HydrophobicContact CD1-CG2 4.22Å; P46-T49 VanDerWaalsContact CD-OG1 3.31Å; P46-T49 WeakPolarHBondContact CD-OG1 3.35Å; P46-T49 VanDerWaalsContact O-CB 3.28Å; P46-T49 WeakPolarHBondContact O-CB 3.47Å; P46-T49 PolarHBondContact O-N 2.91Å; P46-T49 PolarHBondContact O-OG1 3.37Å; R47-T49 VanDerWaalsContact C-N 3.31Å; R47-T49 PolarHBondContact O-N 3.33Å; T49-I51 HydrophobicContact CG2-CG2 4.2Å; T49-I51 PolarHBondContact O-N 3.07Å; T49-P80 HydrophobicContact CG2-CB 4.28Å
50	T	84.2	Confident	85.5	Confident	83 Å²	83	64.6 Å²	64.6	51%	0.509	37%	0.372	S	S	.	.			trans	-67	120.6	170.7	-49.1	0	0	0	0	109.7	M36 N48 V81	M36-T50 HydrophobicContact CE-CG2 4.17Å; N48-T50 PolarHBondContact O-N 3.49Å; T50-V81 HydrophobicContact CG2-CB 4.16Å; T50-V81 HydrophobicContact CG2-CG2 4.1Å; T50-V81 PolarHBondContact O-N 2.91Å
51	I	89.6	Confident	85.6	Confident	8 Å²	8	65.6 Å²	65.6	4%	0.041	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.2	-179.3	56.6	167.2	0	0	0	110.7	M36 F39 L45 T49 I63 V78 R79	M36-I51 HydrophobicContact CE-CG1 3.68Å; M36-I51 HydrophobicContact CG-CD1 4.33Å; M36-I51 HydrophobicContact CG-CG1 4.04Å; F39-I51 HydrophobicContact CB-CD1 3.56Å; F39-I51 HydrophobicContact CD2-CD1 4.37Å; L45-I51 HydrophobicContact CD1-CG2 3.5Å; T49-I51 HydrophobicContact CG2-CG2 4.2Å; T49-I51 PolarHBondContact O-N 3.07Å; I51-I63 HydrophobicContact CD1-CD1 4Å; I51-I63 HydrophobicContact CG1-CD1 3.82Å; I51-V78 HydrophobicContact CB-CG1 3.8Å; I51-V78 HydrophobicContact CD1-CG1 3.78Å; I51-V78 HydrophobicContact CG1-CG1 4.36Å; I51-V78 HydrophobicContact CG2-CG1 3.9Å; I51-R79 CarbonylContact C-O 3.52Å; I51-R79 WeakPolarHBondContact CA-O 3.41Å
52	S	89.3	Confident	85.7	Confident	40 Å²	40	65 Å²	65	28%	0.28	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	140	166.5	-63.4	0	0	0	0	109.9	R79 V81	S52-R79 PolarHBondContact N-O 3.03Å; S52-R79 PolarHBondContact O-N 3.24Å; S52-V81 WeakPolarHBondContact OG-CG2 3.42Å
53	L	92.6	Very high	85.8	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.01	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.2	176.7	-165.7	71.2	0	0	0	109.7	L15 F39 M60 V61 I63 M67 Y76 V78	L15-L53 HydrophobicContact CD2-CD1 3.74Å; F39-L53 HydrophobicContact CE2-CD2 4.02Å; L53-M60 WeakPolarHBondContact O-CA 3.36Å; L53-V61 HydrophobicContact CB-CB 4.38Å; L53-V61 HydrophobicContact CD2-CB 4.13Å; L53-V61 HydrophobicContact CD2-CG1 4.16Å; L53-V61 HydrophobicContact CG-CB 4.36Å; L53-V61 PolarHBondContact O-N 3.35Å; L53-I63 HydrophobicContact CB-CD1 4.16Å; L53-I63 HydrophobicContact CB-CG1 3.91Å; L53-I63 HydrophobicContact CD2-CG1 4.35Å; L53-M67 HydrophobicContact CD2-CE 3.07Å; L53-Y76 VanDerWaalsContact CD1-CB 3.45Å; L53-Y76 HydrophobicContact CD1-CD2 4.37Å; L53-Y76 HydrophobicContact CD1-CG 4.21Å; L53-Y76 HydrophobicContact CD2-CD2 3.64Å; L53-Y76 HydrophobicContact CD2-CE2 4.21Å; L53-Y76 HydrophobicContact CD2-CG 4.02Å; L53-Y76 HydrophobicContact CG-CD2 4.12Å; L53-Y76 HydrophobicContact CG-CG 3.99Å; L53-V78 HydrophobicContact CD1-CG2 3.84Å
54	L	90.8	Very high	86	Confident	14 Å²	14	65.8 Å²	65.8	7%	0.073	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.5	-173.6	-65.4	159.3	0	0	0	110.8	D58 A59 M60 Y76 K77 R79	L54-D58 WeakPolarHBondContact CD2-O 3.48Å; L54-A59 CarbonylContact C-O 3.53Å; L54-A59 VanDerWaalsContact CA-O 3.29Å; L54-A59 WeakPolarHBondContact CA-O 3.38Å; L54-M60 HydrophobicContact CD2-CG 3.74Å; L54-Y76 CarbonylContact O-C 3.49Å; L54-Y76 VanDerWaalsContact O-CA 3.23Å; L54-Y76 WeakPolarHBondContact O-CA 3.19Å; L54-K77 HydrophobicContact CB-CB 4.31Å; L54-K77 PolarHBondContact N-O 3.12Å; L54-K77 PolarHBondContact O-N 3.07Å; L54-R79 HydrophobicContact CD1-CG 4.01Å
55	T	91	Very high	85.9	Confident	30 Å²	30	64.8 Å²	64.8	18%	0.184	36%	0.363	C	S	.	.			trans	-70.6	173.4	168.7	68.8	0	0	0	0	111.5	D57 D58 A59 V61 Y76	T55-D57 PolarHBondContact O-N 3.18Å; T55-D57 PolarHBondContact OG1-N 3.11Å; T55-D58 PolarHBondContact O-N 2.97Å; T55-A59 HydrophobicContact CG2-CB 4.22Å; T55-A59 PolarHBondContact N-O 3.29Å; T55-A59 WeakPolarHBondContact OG1-CB 3.23Å; T55-A59 PolarHBondContact OG1-N 2.79Å; T55-A59 VanDerWaalsContact OG1-N 3.13Å; T55-V61 HydrophobicContact CG2-CG2 3.48Å; T55-V61 VanDerWaalsContact CG2-CG2 3.48Å; T55-Y76 HydrophobicContact CG2-CD1 4.42Å; T55-Y76 HydrophobicContact CG2-CE1 4.1Å
56	T	85.3	Confident	85.9	Confident	65 Å²	65	68 Å²	68	40%	0.399	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.7	171.7	48.7	0	0	0	0	112.9	D58	T56-D58 VanDerWaalsContact C-N 3.32Å
57	D	86.7	Confident	86	Confident	142 Å²	142	63.5 Å²	63.5	76%	0.759	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	16.8	178.9	-50.9	-35.5	0	0	0	112.2	T55 A59	T55-D57 PolarHBondContact O-N 3.18Å; T55-D57 PolarHBondContact OG1-N 3.11Å; D57-A59 PolarHBondContact O-N 3.34Å
58	D	84.6	Confident	86.6	Confident	87 Å²	87	60 Å²	60	47%	0.465	35%	0.354	S	S	.	.			trans	58.7	24.9	-179.7	-67.7	-29.9	0	0	0	114.9	L54 T55 T56 K77	L54-D58 WeakPolarHBondContact CD2-O 3.48Å; T55-D58 PolarHBondContact O-N 2.97Å; T56-D58 VanDerWaalsContact C-N 3.32Å; D58-K77 IonicContact OD1-NZ 2.65Å
59	A	85.6	Confident	87.3	Confident	53 Å²	53	56.5 Å²	56.5	44%	0.438	35%	0.345	S	S	.	.			trans	-82.4	137.1	170.8	0	0	0	0	0	111	L54 T55 D57	L54-A59 CarbonylContact C-O 3.53Å; L54-A59 VanDerWaalsContact CA-O 3.29Å; L54-A59 WeakPolarHBondContact CA-O 3.38Å; T55-A59 HydrophobicContact CG2-CB 4.22Å; T55-A59 PolarHBondContact N-O 3.29Å; T55-A59 WeakPolarHBondContact OG1-CB 3.23Å; T55-A59 PolarHBondContact OG1-N 2.79Å; T55-A59 VanDerWaalsContact OG1-N 3.13Å; D57-A59 PolarHBondContact O-N 3.34Å
60	M	88.1	Confident	87.8	Confident	159 Å²	159	56 Å²	56	78%	0.783	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	136.6	178.1	-72.9	-167.9	-75.7	0	0	111.8	L53 L54	L53-M60 WeakPolarHBondContact O-CA 3.36Å; L54-M60 HydrophobicContact CD2-CG 3.74Å
61	V	90.7	Very high	88.2	Confident	21 Å²	21	54.2 Å²	54.2	13%	0.127	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.3	175.9	-176.1	0	0	0	0	108.3	L53 T55 M67 Y76	L53-V61 HydrophobicContact CB-CB 4.38Å; L53-V61 HydrophobicContact CD2-CB 4.13Å; L53-V61 HydrophobicContact CD2-CG1 4.16Å; L53-V61 HydrophobicContact CG-CB 4.36Å; L53-V61 PolarHBondContact O-N 3.35Å; T55-V61 HydrophobicContact CG2-CG2 3.48Å; T55-V61 VanDerWaalsContact CG2-CG2 3.48Å; V61-M67 HydrophobicContact CG1-CB 4.32Å; V61-M67 HydrophobicContact CG1-CE 4.27Å; V61-Y76 HydrophobicContact CG2-CD1 4.28Å; V61-Y76 HydrophobicContact CG2-CE1 3.94Å
62	S	88.8	Confident	88.2	Confident	73 Å²	73	59.9 Å²	59.9	51%	0.51	36%	0.359	S	S	.	.			trans	-65.9	139.7	173.7	57.4	0	0	0	0	110.7	D64 M67	S62-D64 WeakPolarHBondContact CB-OD2 3.29Å; S62-D64 PolarHBondContact O-N 3.07Å; S62-D64 PolarHBondContact OG-OD2 3.05Å; S62-M67 WeakPolarHBondContact O-CB 3.49Å
63	I	89.9	Confident	88.2	Confident	30 Å²	30	69.1 Å²	69.1	15%	0.154	39%	0.387	C	S	.	.			trans	-93.9	92.9	176.5	-57.8	174.7	0	0	0	107.4	S32 I35 M36 F39 I51 L53	S32-I63 VanDerWaalsContact CB-O 3.28Å; S32-I63 WeakPolarHBondContact CB-O 3.45Å; S32-I63 PolarHBondContact OG-O 3.11Å; I35-I63 HydrophobicContact CB-CG2 4.26Å; I35-I63 HydrophobicContact CG2-CG2 3.77Å; M36-I63 HydrophobicContact CB-CG2 4.24Å; F39-I63 HydrophobicContact CD2-CD1 4.34Å; F39-I63 HydrophobicContact CD2-CG1 4.49Å; F39-I63 HydrophobicContact CD2-CG2 4.01Å; F39-I63 HydrophobicContact CE2-CG1 4.46Å; F39-I63 HydrophobicContact CE2-CG2 3.92Å; I51-I63 HydrophobicContact CD1-CD1 4Å; I51-I63 HydrophobicContact CG1-CD1 3.82Å; L53-I63 HydrophobicContact CB-CD1 4.16Å; L53-I63 HydrophobicContact CB-CG1 3.91Å; L53-I63 HydrophobicContact CD2-CG1 4.35Å
64	D	87.8	Confident	88.1	Confident	26 Å²	26	72.1 Å²	72.1	14%	0.139	41%	0.406	C	S	.	.	S	Bend	trans	-157.7	166.2	179.5	71.7	80.3	0	0	0	110.5	S32 S62 T66 M67	S32-D64 WeakPolarHBondContact OG-CA 3.36Å; S32-D64 VanDerWaalsContact OG-CB 3.23Å; S32-D64 WeakPolarHBondContact OG-CB 3.28Å; S62-D64 WeakPolarHBondContact CB-OD2 3.29Å; S62-D64 PolarHBondContact O-N 3.07Å; S62-D64 PolarHBondContact OG-OD2 3.05Å; D64-T66 PolarHBondContact O-N 2.91Å; D64-T66 VanDerWaalsContact OD1-CA 3.27Å; D64-T66 WeakPolarHBondContact OD1-CA 3.39Å; D64-T66 WeakPolarHBondContact OD1-CB 3.37Å; D64-T66 PolarHBondContact OD1-N 3.14Å; D64-T66 PolarHBondContact OD1-OG1 3.3Å; D64-M67 VanDerWaalsContact O-CB 3.29Å; D64-M67 WeakPolarHBondContact O-CB 3.44Å; D64-M67 VanDerWaalsContact O-CG 3.24Å; D64-M67 WeakPolarHBondContact O-CG 3.34Å; D64-M67 PolarHBondContact O-N 3.2Å; D64-M67 PolarHBondContact OD1-N 2.99Å
65	P	83.8	Confident	88.3	Confident	47 Å²	47	72.1 Å²	72.1	31%	0.305	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.8	-175.9	-25.7	36.6	0	0	0	114.4	K11 C30 I35	K11-P65 PolarHBondContact NZ-O 2.92Å; C30-P65 WeakPolarHBondContact O-CG 3.23Å; I35-P65 HydrophobicContact CD1-CB 4.22Å; I35-P65 HydrophobicContact CD1-CG 3.78Å
66	T	84.6	Confident	88.5	Confident	115 Å²	115	71.4 Å²	71.4	71%	0.706	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-10.7	-179.4	80	0	0	0	0	113.6	D64	D64-T66 PolarHBondContact O-N 2.91Å; D64-T66 VanDerWaalsContact OD1-CA 3.27Å; D64-T66 WeakPolarHBondContact OD1-CA 3.39Å; D64-T66 WeakPolarHBondContact OD1-CB 3.37Å; D64-T66 PolarHBondContact OD1-N 3.14Å; D64-T66 PolarHBondContact OD1-OG1 3.3Å
67	M	86.9	Confident	88.9	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	40%	0.395	C	S	.	.	S	Bend	trans	-47	140.9	-176.7	72	-171.4	-46.3	0	0	113.5	K11 I13 F26 I35 F39 L53 V61 S62 D64 A69 Y76	K11-M67 WeakPolarHBondContact CE-O 3.41Å; K11-M67 PolarHBondContact NZ-O 3.19Å; I13-M67 HydrophobicContact CD1-CG 4.2Å; I13-M67 HydrophobicContact CD1-SD 4.21Å; I13-M67 HydrophobicContact CG1-SD 4.01Å; F26-M67 HydrophobicContact CE1-SD 4.36Å; F26-M67 HydrophobicContact CZ-CG 4.5Å; F26-M67 HydrophobicContact CZ-SD 3.95Å; I35-M67 HydrophobicContact CG2-SD 4.34Å; F39-M67 HydrophobicContact CE2-CE 3.81Å; F39-M67 HydrophobicContact CE2-SD 4.12Å; F39-M67 HydrophobicContact CZ-CE 3.96Å; F39-M67 HydrophobicContact CZ-SD 3.84Å; L53-M67 HydrophobicContact CD2-CE 3.07Å; V61-M67 HydrophobicContact CG1-CB 4.32Å; V61-M67 HydrophobicContact CG1-CE 4.27Å; S62-M67 WeakPolarHBondContact O-CB 3.49Å; D64-M67 VanDerWaalsContact O-CB 3.29Å; D64-M67 WeakPolarHBondContact O-CB 3.44Å; D64-M67 VanDerWaalsContact O-CG 3.24Å; D64-M67 WeakPolarHBondContact O-CG 3.34Å; D64-M67 PolarHBondContact O-N 3.2Å; D64-M67 PolarHBondContact OD1-N 2.99Å; M67-A69 PolarHBondContact O-N 3.39Å; M67-Y76 HydrophobicContact CE-CD2 4.46Å; M67-Y76 HydrophobicContact CE-CE2 4.22Å
68	P	85.8	Confident	89.1	Confident	81 Å²	81	65.7 Å²	65.7	53%	0.526	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-58.6	139.4	-176.5	-22.6	32.7	0	0	0	112.1	Y76	P68-Y76 PolarHBondContact O-OH 3.49Å
69	A	84.6	Confident	89.2	Confident	77 Å²	77	67.9 Å²	67.9	64%	0.636	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-68.9	146.3	172.4	0	0	0	0	0	110.2	M67	M67-A69 PolarHBondContact O-N 3.39Å
70	N	92.9	Very high	89.2	Confident	23 Å²	23	69 Å²	69	12%	0.123	37%	0.37	C	S	.	.			trans	-130.5	-170.5	177.8	74.6	-24.9	0	0	0	111.8	I13 Y14 T74 P75 Y76	I13-N70 WeakPolarHBondContact CA-OD1 3.23Å; Y14-N70 PolarHBondContact N-OD1 2.92Å; Y14-N70 PolarHBondContact O-ND2 3.07Å; N70-T74 WeakPolarHBondContact CB-O 3.31Å; N70-T74 PolarHBondContact ND2-O 3.4Å; N70-P75 WeakPolarHBondContact ND2-CA 3.32Å; N70-Y76 HydrophobicContact CB-CE1 4.22Å; N70-Y76 HydrophobicContact CB-CE2 3.99Å; N70-Y76 WeakPolarHBondContact ND2-CD2 3.42Å; N70-Y76 PolarHBondContact ND2-N 3.26Å
71	S	91.8	Very high	89	Confident	46 Å²	46	64.6 Å²	64.6	32%	0.322	35%	0.352	S	S	.	.			trans	-140.5	169.9	-175.4	73.8	0	0	0	0	111.7	Y14 R73 T74	Y14-S71 VanDerWaalsContact CD2-CA 3.45Å; S71-R73 PolarHBondContact O-N 3Å; S71-R73 VanDerWaalsContact O-N 3.07Å; S71-R73 PolarHBondContact OG-N 2.94Å; S71-T74 PolarHBondContact N-OG1 3.43Å; S71-T74 CarbonylContact O-C 3.53Å; S71-T74 PolarHBondContact O-N 2.99Å; S71-T74 PolarHBondContact OG-N 3.44Å; S71-T74 PolarHBondContact OG-OG1 3.36Å
72	E	90.2	Very high	87.5	Confident	126 Å²	126	67.7 Å²	67.7	59%	0.589	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-20	171	-63.3	177.9	-174.3	0	0	113.1	Y14 I21	Y14-E72 HydrophobicContact CD1-CB 4.41Å; Y14-E72 HydrophobicContact CD1-CG 3.45Å; Y14-E72 VanDerWaalsContact CD1-CG 3.45Å; Y14-E72 HydrophobicContact CE1-CG 3.3Å; Y14-E72 HydrophobicContact CG-CG 4.28Å; I21-E72 WeakPolarHBondContact CD1-O 3.4Å; I21-E72 HydrophobicContact CG2-CG 4.45Å
73	R	89.4	Confident	85.4	Confident	234 Å²	234	71.6 Å²	71.6	88%	0.883	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-14.9	176.3	-61.8	-176.2	-178.7	-167.3	-0.4	113.2	S71 P75	S71-R73 PolarHBondContact O-N 3Å; S71-R73 VanDerWaalsContact O-N 3.07Å; S71-R73 PolarHBondContact OG-N 2.94Å; R73-P75 VanDerWaalsContact C-CD 3.49Å
74	T	91.8	Very high	82.8	Confident	65 Å²	65	79.2 Å²	79.2	40%	0.399	43%	0.425	S	S	.	.	S	Bend	trans	-135.8	54.8	-176.3	52.6	0	0	0	0	110.7	N70 S71	N70-T74 WeakPolarHBondContact CB-O 3.31Å; N70-T74 PolarHBondContact ND2-O 3.4Å; S71-T74 PolarHBondContact N-OG1 3.43Å; S71-T74 CarbonylContact O-C 3.53Å; S71-T74 PolarHBondContact O-N 2.99Å; S71-T74 PolarHBondContact OG-N 3.44Å; S71-T74 PolarHBondContact OG-OG1 3.36Å
75	P	94.3	Very high	80.1	Confident	14 Å²	14	86.7 Å²	86.7	9%	0.091	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-67.6	150.4	-177.4	32.1	-36.7	0	0	0	110.8	Y14 D16 I21 N70 R73	Y14-P75 WeakPolarHBondContact O-CA 3.34Å; D16-P75 HydrophobicContact CB-CB 3.92Å; D16-P75 HydrophobicContact CB-CG 3.87Å; I21-P75 HydrophobicContact CD1-CG 4.26Å; I21-P75 HydrophobicContact CG1-CG 4.46Å; I21-P75 HydrophobicContact CG2-CB 4.44Å; N70-P75 WeakPolarHBondContact ND2-CA 3.32Å; R73-P75 VanDerWaalsContact C-CD 3.49Å
76	Y	95.1	Very high	77.5	Confident	15 Å²	15	92.8 Å²	92.8	6%	0.059	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	138.7	172	-64	-43.9	0	0	0	110.6	I13 Y14 L15 D16 L53 L54 T55 V61 M67 P68 N70	I13-Y76 HydrophobicContact CD1-CE2 4.3Å; I13-Y76 HydrophobicContact CG2-CD2 3.65Å; I13-Y76 HydrophobicContact CG2-CE2 4.04Å; Y14-Y76 PolarHBondContact O-N 2.88Å; L15-Y76 CarbonylContact C-O 3.58Å; L15-Y76 VanDerWaalsContact CA-O 3.27Å; L15-Y76 WeakPolarHBondContact CA-O 3.45Å; D16-Y76 PolarHBondContact N-O 3.49Å; L53-Y76 VanDerWaalsContact CD1-CB 3.45Å; L53-Y76 HydrophobicContact CD1-CD2 4.37Å; L53-Y76 HydrophobicContact CD1-CG 4.21Å; L53-Y76 HydrophobicContact CD2-CD2 3.64Å; L53-Y76 HydrophobicContact CD2-CE2 4.21Å; L53-Y76 HydrophobicContact CD2-CG 4.02Å; L53-Y76 HydrophobicContact CG-CD2 4.12Å; L53-Y76 HydrophobicContact CG-CG 3.99Å; L54-Y76 CarbonylContact O-C 3.49Å; L54-Y76 VanDerWaalsContact O-CA 3.23Å; L54-Y76 WeakPolarHBondContact O-CA 3.19Å; T55-Y76 HydrophobicContact CG2-CD1 4.42Å; T55-Y76 HydrophobicContact CG2-CE1 4.1Å; V61-Y76 HydrophobicContact CG2-CD1 4.28Å; V61-Y76 HydrophobicContact CG2-CE1 3.94Å; M67-Y76 HydrophobicContact CE-CD2 4.46Å; M67-Y76 HydrophobicContact CE-CE2 4.22Å; P68-Y76 PolarHBondContact O-OH 3.49Å; N70-Y76 HydrophobicContact CB-CE1 4.22Å; N70-Y76 HydrophobicContact CB-CE2 3.99Å; N70-Y76 WeakPolarHBondContact ND2-CD2 3.42Å; N70-Y76 PolarHBondContact ND2-N 3.26Å
77	K	93.1	Very high	74.9	Confident	64 Å²	64	92.5 Å²	92.5	28%	0.278	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133.5	173.1	-64	174.3	-173.2	163.7	0	109.4	D16 L54 D58	D16-K77 HydrophobicContact CB-CG 4.37Å; L54-K77 HydrophobicContact CB-CB 4.31Å; L54-K77 PolarHBondContact N-O 3.12Å; L54-K77 PolarHBondContact O-N 3.07Å; D58-K77 IonicContact OD1-NZ 2.65Å
78	V	90.6	Very high	72.4	Confident	23 Å²	23	97.8 Å²	97.8	14%	0.139	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.9	173.3	-174	0	0	0	0	109.2	L15 T43 I51 L53	L15-V78 HydrophobicContact CB-CG2 4.37Å; L15-V78 HydrophobicContact CD1-CG2 4.01Å; L15-V78 HydrophobicContact CD2-CG2 3.9Å; L15-V78 HydrophobicContact CG-CG2 4.32Å; T43-V78 HydrophobicContact CG2-CB 3.7Å; T43-V78 HydrophobicContact CG2-CG1 3.86Å; T43-V78 HydrophobicContact CG2-CG2 3.74Å; I51-V78 HydrophobicContact CB-CG1 3.8Å; I51-V78 HydrophobicContact CD1-CG1 3.78Å; I51-V78 HydrophobicContact CG1-CG1 4.36Å; I51-V78 HydrophobicContact CG2-CG1 3.9Å; L53-V78 HydrophobicContact CD1-CG2 3.84Å
79	R	87.9	Confident	69.5	Low	134 Å²	134	97.7 Å²	97.7	51%	0.506	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.7	173.2	-72.4	-167.9	179.9	162.5	4.7	110.9	I51 S52 L54 V81	I51-R79 CarbonylContact C-O 3.52Å; I51-R79 WeakPolarHBondContact CA-O 3.41Å; S52-R79 PolarHBondContact N-O 3.03Å; S52-R79 PolarHBondContact O-N 3.24Å; L54-R79 HydrophobicContact CD1-CG 4.01Å; R79-V81 PolarHBondContact O-N 2.98Å
80	P	85.1	Confident	66.8	Low	76 Å²	76	99.1 Å²	99.1	49%	0.494	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-58.6	133.7	165.9	-19.5	30.6	0	0	0	110.3	L45 T49 A82	L45-P80 HydrophobicContact CD1-CG 3.9Å; L45-P80 HydrophobicContact CD2-CG 4.01Å; T49-P80 HydrophobicContact CG2-CB 4.28Å; P80-A82 PolarHBondContact O-N 2.95Å
81	V	83.2	Confident	63.7	Low	66 Å²	66	107.2 Å²	107.2	40%	0.4	60%	0.597	S	S	.	*			trans	-83.3	105.7	173.3	-176.6	0	0	0	0	107.6	T50 S52 R79 I83	T50-V81 HydrophobicContact CG2-CB 4.16Å; T50-V81 HydrophobicContact CG2-CG2 4.1Å; T50-V81 PolarHBondContact O-N 2.91Å; S52-V81 WeakPolarHBondContact OG-CG2 3.42Å; R79-V81 PolarHBondContact O-N 2.98Å; V81-I83 PolarHBondContact O-N 2.75Å
82	A	58.9	Low	60.6	Low	86 Å²	86	111 Å²	111	71%	0.711	61%	0.614	S	S	*	*			trans	-70.8	117.7	172	0	0	0	0	0	109.5	P80 K84	P80-A82 PolarHBondContact O-N 2.95Å; A82-K84 PolarHBondContact O-N 2.66Å
83	I	44.8	Very low	57.7	Low	156 Å²	156	114.9 Å²	114.9	80%	0.8	63%	0.629	S	S	*	*			trans	-68.6	101.6	168.5	-58.1	172.3	0	0	0	106.8	V81 Q85	V81-I83 PolarHBondContact O-N 2.75Å; I83-Q85 PolarHBondContact O-N 2.91Å; I83-Q85 VanDerWaalsContact O-N 3.16Å
84	K	35.4	Very low	54.6	Low	189 Å²	189	113.9 Å²	113.9	82%	0.822	63%	0.625	S	S	*	*			trans	-68.9	111.2	170.3	-81.6	-174.9	176	-179.5	0	108.6	A82 L86	A82-K84 PolarHBondContact O-N 2.66Å; K84-L86 PolarHBondContact O-N 3.35Å
85	Q	31.3	Very low	51.5	Low	183 Å²	183	117.9 Å²	117.9	86%	0.855	65%	0.65	S	S	*	*			trans	-54	116.9	156.2	-77.2	175.7	-22.1	0	0	108.3	I83 S87	I83-Q85 PolarHBondContact O-N 2.91Å; I83-Q85 VanDerWaalsContact O-N 3.16Å; Q85-S87 PolarHBondContact O-N 2.87Å; Q85-S87 VanDerWaalsContact O-N 3.11Å
86	L	30.5	Very low	48.1	Very low	175 Å²	175	122.9 Å²	122.9	92%	0.916	68%	0.68	S	S	*	*			trans	-76.7	91.9	169.7	-78.6	161.7	0	0	0	108.1	K84	K84-L86 PolarHBondContact O-N 3.35Å
87	S	29.4	Very low	44.8	Very low	110 Å²	110	127.4 Å²	127.4	77%	0.769	71%	0.714	S	S	*	*			trans	-80.3	131.3	161.1	50.1	0	0	0	0	109.5	Q85	Q85-S87 PolarHBondContact O-N 2.87Å; Q85-S87 VanDerWaalsContact O-N 3.11Å
88	A	33.7	Very low	42.1	Very low	111 Å²	111	130.3 Å²	130.3	92%	0.917	74%	0.739	S	S	*	*			trans	-63.6	136.8	178.1	0	0	0	0	0	111.7
89	G	26.4	Very low	39	Very low	79 Å²	79	132.8 Å²	132.8	81%	0.814	77%	0.77	S	S	*	*			trans	-178.3	77.5	173.6	0	0	0	0	0	110.7
90	A	28	Very low	36.1	Very low	106 Å²	106	135.8 Å²	135.8	88%	0.876	79%	0.789	S	S	*	*			trans	-112.3	100	169.6	0	0	0	0	0	108.9
91	E	26.7	Very low	33.2	Very low	194 Å²	194	137.6 Å²	137.6	91%	0.907	80%	0.804	S	S	*	*			trans	-80.9	128.2	161.7	-80.7	-176.4	150.4	0	0	110.4
92	D	26.3	Very low	30.5	Very low	126 Å²	126	139.5 Å²	139.5	67%	0.674	83%	0.827	S	S	*	*			trans	16.9	116.1	146.8	-155.6	5	0	0	0	119.7	R94	D92-R94 PolarHBondContact OD1-N 3Å
93	K	29.1	Very low	29	Very low	207 Å²	207	142.6 Å²	142.6	90%	0.9	83%	0.827	S	S	*	*			trans	-142.1	106	134.9	-79	-163	178.9	174.2	0	111.3
94	R	24.6	Very low	28	Very low	213 Å²	213	144.4 Å²	144.4	80%	0.804	82%	0.823	S	S	*	*			trans	-46.2	133.7	156.7	-74.4	176.9	-178.1	-169.2	-1.4	113.1	D92	D92-R94 PolarHBondContact OD1-N 3Å
95	T	26.7	Very low	28	Very low	148 Å²	148	140.5 Å²	140.5	91%	0.908	82%	0.818	S	S	*	*			trans	-139.4	132.4	140.5	35.6	0	0	0	0	110.3
96	T	24.3	Very low	27.6	Very low	119 Å²	119	138.9 Å²	138.9	73%	0.73	81%	0.814	S	S	*	*			trans	-98.9	133	-171.8	40.9	0	0	0	0	112.6
97	S	25.1	Very low	27.4	Very low	110 Å²	110	142.2 Å²	142.2	77%	0.769	81%	0.814	S	S	*	*			trans	97.6	162.6	134.4	-56.1	0	0	0	0	120.3
98	P	36.1	Very low	27.2	Very low	125 Å²	125	142 Å²	142	81%	0.812	81%	0.805	S	S	*	*			cis	-143.7	172.1	-44	39.7	-22.7	0	0	0	115.6
99	G	24.6	Very low	26.9	Very low	76 Å²	76	147.1 Å²	147.1	78%	0.784	80%	0.8	S	S	*	*			trans	95.6	139.7	155.4	0	0	0	0	0	115.8
100	Q	27.3	Very low	26.8	Very low	196 Å²	196	154.4 Å²	154.4	92%	0.916	80%	0.803	S	S	*	*			cis	-152.1	161	24.9	-77.9	176.4	-21.2	0	0	112.7
101	S	24.1	Very low	26.6	Very low	114 Å²	114	156.1 Å²	156.1	80%	0.797	80%	0.802	S	S	*	*			trans	-53.6	150.3	177.9	47.9	0	0	0	0	119.5
102	A	27.2	Very low	26.5	Very low	107 Å²	107	153.5 Å²	153.5	88%	0.884	80%	0.799	S	S	*	*				-158	131.6	126.8	0	0	0	0	0	111.2
103	E	26.7	Very low	26.3	Very low	151 Å²	151	150.3 Å²	150.3	71%	0.706	80%	0.796	S	S	*	*			trans	-93	142.2	-175.9	-83.4	-166.9	115.9	0	0	114.2
104	R	23.8	Very low	25.9	Very low	193 Å²	193	147.9 Å²	147.9	73%	0.728	79%	0.792	S	S	*	*			trans	67.9	163.7	134.8	-74.2	-176.3	-157.6	-136.4	4.5	123.3
105	P	35.6	Very low	25.8	Very low	108 Å²	108	146.2 Å²	146.2	70%	0.701	79%	0.793	S	S	*	*			cis	-138.4	156.8	-5.9	24.5	-0	0	0	0	119.3
106	L	24.5	Very low	25.7	Very low	149 Å²	149	146.7 Å²	146.7	78%	0.78	79%	0.785	S	S	*	*			trans	38.3	129.9	132.3	-70.3	147	0	0	0	124.7
107	R	26.2	Very low	25.8	Very low	244 Å²	244	147.3 Å²	147.3	92%	0.921	79%	0.791	S	S	*	*				-178.8	150.7	121.8	-98.8	-179.7	-174.7	-160.7	1.8	107.5
108	D	25.2	Very low	25.8	Very low	107 Å²	107	149.5 Å²	149.5	57%	0.572	79%	0.789	S	S	*	*			cis	-176.6	128	-1.8	-175.4	23.7	0	0	0	102.9
109	R	26.4	Very low	25.5	Very low	218 Å²	218	153.3 Å²	153.3	82%	0.823	79%	0.788	S	S	*	*				162.2	115.4	100.7	-83.2	-177.2	173.6	-178.5	-6.1	107.3
110	R	24.4	Very low	25.8	Very low	232 Å²	232	157 Å²	157	88%	0.875	79%	0.785	S	S	*	*				62.7	113.1	99.9	-73.7	-167.3	-139.1	-156.8	3.9	117.5
111	V	23.3	Very low	25.8	Very low	141 Å²	141	151.4 Å²	151.4	86%	0.855	78%	0.779	S	S	*	*			trans	-98	137.8	160.7	171.1	0	0	0	0	108.8
112	V	24.7	Very low	26	Very low	140 Å²	140	150.5 Å²	150.5	85%	0.848	78%	0.779	S	S	*	*			trans	-166.7	136.7	147.1	-163	0	0	0	0	104.6
113	G	21.6	Very low	26.1	Very low	59 Å²	59	155.1 Å²	155.1	61%	0.608	78%	0.779	S	S	*	*			cis	117.2	116.8	20.8	0	0	0	0	0	110
114	L	21.4	Very low	26.2	Very low	156 Å²	156	156 Å²	156	82%	0.817	78%	0.783	S	S	*	*			trans	80.6	128.1	150.2	-67.7	155.7	0	0	0	122.9
115	E	22.4	Very low	26.5	Very low	177 Å²	177	152.2 Å²	152.2	83%	0.827	79%	0.786	S	S	*	*			trans	90.4	148.7	130.8	-78.9	177.7	169.5	0	0	123.9
116	Q	23.9	Very low	26.2	Very low	158 Å²	158	150.4 Å²	150.4	74%	0.738	79%	0.787	S	S	*	*			trans	-67	-179.4	-160.7	-61.5	173.3	-10.8	0	0	115.7
117	P	26.6	Very low	26.4	Very low	132 Å²	132	152.4 Å²	152.4	86%	0.857	79%	0.793	S	S	*	*				-138.2	154	114.3	32.1	-16.5	0	0	0	115.6
118	Q	25.9	Very low	26.6	Very low	156 Å²	156	147.2 Å²	147.2	73%	0.729	79%	0.788	S	S	*	*			trans	-99.1	170.5	168.2	-74.6	-172.4	-26.1	0	0	112.3
119	R	30.6	Very low	27	Very low	205 Å²	205	150.6 Å²	150.6	77%	0.774	80%	0.8	S	S	*	*			trans	101.6	140.4	154.8	-71.8	179.3	169.9	-145.1	10	115.9
120	E	29.3	Very low	27.6	Very low	155 Å²	155	145.4 Å²	145.4	72%	0.724	79%	0.794	S	S	*	*			cis	-169.8	155.4	19.7	-127.8	162.4	-152.5	0	0	112.6
121	G	27.6	Very low	27.9	Very low	78 Å²	78	146 Å²	146	80%	0.804	80%	0.797	S	S	*	*			trans	71.2	146.7	148.4	0	0	0	0	0	120.7
122	A	29.3	Very low	28.6	Very low	94 Å²	94	145.4 Å²	145.4	78%	0.777	80%	0.796	S	S	*	*			cis	-170.6	156.3	-0	0	0	0	0	0	110.8
123	F	28.3	Very low	28.9	Very low	204 Å²	204	150.4 Å²	150.4	90%	0.895	80%	0.799	S	S	*	*			trans	30.9	139.3	152.2	-83.3	-101.8	0	0	0	121.5
124	E	30.2	Very low	29.6	Very low	171 Å²	171	156.3 Å²	156.3	80%	0.799	81%	0.811	S	S	*	*				-170.2	144.8	57.4	-136.7	173.6	-172.6	0	0	113.9
125	S	29.8	Very low	30.4	Very low	113 Å²	113	154.9 Å²	154.9	79%	0.79	81%	0.812	S	S	*	*			trans	39.9	133.8	148.5	66.6	0	0	0	0	126.3
126	G	28.4	Very low	30.9	Very low	70 Å²	70	155.4 Å²	155.4	72%	0.722	81%	0.814	S	S	*	*			trans	146.3	101	131.8	0	0	0	0	0	120.3
127	Q	29.5	Very low	31.5	Very low	191 Å²	191	154.8 Å²	154.8	89%	0.893	82%	0.816	S	S	*	*			trans	61.1	115.5	148.3	-60.5	178.6	-20.4	0	0	119.5
128	V	29.8	Very low	31.6	Very low	134 Å²	134	155 Å²	155	81%	0.812	82%	0.819	S	S	*	*				63.5	110.3	54.3	-172.2	0	0	0	0	111.3
129	E	33.1	Very low	31.9	Very low	179 Å²	179	153.4 Å²	153.4	84%	0.836	82%	0.823	S	S	*	*				-170.8	-171.3	60.3	-133.6	-162.6	-171.7	0	0	111.5
130	P	40.6	Very low	31.9	Very low	108 Å²	108	153.2 Å²	153.2	70%	0.701	83%	0.831	S	S	*	*				-124.4	177	-128.2	35.5	-11.5	0	0	0	116.9
131	R	29.6	Very low	32.2	Very low	244 Å²	244	155.5 Å²	155.5	92%	0.921	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-87.9	148.9	171	-75.4	-174.4	-163	-175.8	5	112.6
132	P	37.4	Very low	32.5	Very low	130 Å²	130	155.4 Å²	155.4	84%	0.844	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-91.6	169.8	-172.2	37.1	-34.3	0	0	0	115
133	R	32.6	Very low	32.8	Very low	244 Å²	244	159.9 Å²	159.9	92%	0.921	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-75.7	161.2	-171	-63.1	173.8	-179.5	176.5	-1.1	115
134	E	36.1	Very low	33.4	Very low	184 Å²	184	159 Å²	159	86%	0.86	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-53.1	159.5	162	-60.1	175.6	158	0	0	113.9
135	P	37.5	Very low	34.3	Very low	126 Å²	126	154.6 Å²	154.6	82%	0.818	83%	0.828	S	S	*	*			trans	-120.7	143.5	150.3	29.2	-13.2	0	0	0	113.5
136	Q	33.8	Very low	35.3	Very low	187 Å²	187	152.7 Å²	152.7	87%	0.874	81%	0.814	S	S	*	*			trans	-76.9	148.2	172.4	-77.2	173.6	-48.5	0	0	113.4
137	D	35.1	Very low	36.6	Very low	146 Å²	146	153.6 Å²	153.6	78%	0.781	81%	0.807	S	S	*	*			trans	26.6	128.9	148.1	-70.4	-29.2	0	0	0	122.5
138	C	28.6	Very low	37.9	Very low	136 Å²	136	152 Å²	152	92%	0.919	80%	0.799	S	S	*	*			trans	-141.9	123.1	140.3	-105.7	0	0	0	0	109.6
139	C	32	Very low	39	Very low	122 Å²	122	153.5 Å²	153.5	82%	0.824	79%	0.79	S	S	*	*			trans	-70.9	144.5	175.2	-65.6	0	0	0	0	112.1
140	Q	32.6	Very low	40.1	Very low	202 Å²	202	150.8 Å²	150.8	94%	0.944	78%	0.777	S	S	*	*			trans	-157.9	139.3	141	-110.2	175.2	13.7	0	0	111.7
141	E	35.3	Very low	41.1	Very low	202 Å²	202	152.2 Å²	152.2	94%	0.944	78%	0.775	S	S	*	*			trans	-80.4	157.6	-166.1	-61.7	169.1	130.7	0	0	115.1
142	G	33.1	Very low	42.9	Very low	76 Å²	76	146.4 Å²	146.4	78%	0.784	76%	0.762	S	S	*	*			trans	111	123	157.9	0	0	0	0	0	113.6
143	Q	36.1	Very low	44.3	Very low	189 Å²	189	144.7 Å²	144.7	88%	0.883	74%	0.744	S	S	*	*			cis	-143.4	131.4	14.2	-72.3	169	-27.6	0	0	108	V145	Q143-V145 PolarHBondContact O-N 3.29Å
144	H	39.9	Very low	45.9	Very low	186 Å²	186	139.5 Å²	139.5	86%	0.861	73%	0.731	S	S	*	*			trans	-75.2	111.3	175.5	-130.4	-65.2	0	0	0	109.2
145	V	49.5	Very low	47.6	Very low	77 Å²	77	133.9 Å²	133.9	47%	0.467	71%	0.712	S	S	.	*			trans	-74	132.6	159.9	-179.3	0	0	0	0	106.7	Q143 R149	Q143-V145 PolarHBondContact O-N 3.29Å; V145-R149 HydrophobicContact CG1-CB 4.06Å
146	P	50.2	Low	49.3	Very low	74 Å²	74	131.6 Å²	131.6	48%	0.481	70%	0.695	S	S	.	*			trans	-64.1	138	-180	-17.8	29.3	0	0	0	110.4	E148 R149	P146-E148 PolarHBondContact O-N 3.05Å; P146-E148 VanDerWaalsContact O-N 3.08Å; P146-R149 WeakPolarHBondContact O-CB 3.29Å; P146-R149 PolarHBondContact O-N 3.2Å
147	P	56.4	Low	50.7	Low	88 Å²	88	128 Å²	128	57%	0.571	68%	0.681	S	S	*	*	H	α-helix	trans	-57.9	-26	-177.8	19.8	-30.4	0	0	0	113.4	R149 E150 E151	P147-R149 VanDerWaalsContact C-N 3.28Å; P147-R149 PolarHBondContact O-N 3.39Å; P147-E150 PolarHBondContact O-N 3.23Å; P147-E151 PolarHBondContact O-N 2.72Å
148	E	56.9	Low	52.2	Low	157 Å²	157	124 Å²	124	73%	0.734	67%	0.668	S	S	*	*	H	α-helix	trans	-65	-28.2	175.3	-64.7	-179.3	168.7	0	0	113.5	P146 L152	P146-E148 PolarHBondContact O-N 3.05Å; P146-E148 VanDerWaalsContact O-N 3.08Å; E148-L152 WeakPolarHBondContact O-CB 3.42Å; E148-L152 PolarHBondContact O-N 2.84Å
149	R	53.2	Low	54.1	Low	166 Å²	166	123.2 Å²	123.2	63%	0.626	65%	0.651	S	S	*	*	H	α-helix	trans	-79.2	-31.2	-178.3	-146.4	-176.8	-160.9	-155.7	5.2	111.7	V145 P146 P147 I153	V145-R149 HydrophobicContact CG1-CB 4.06Å; P146-R149 WeakPolarHBondContact O-CB 3.29Å; P146-R149 PolarHBondContact O-N 3.2Å; P147-R149 VanDerWaalsContact C-N 3.28Å; P147-R149 PolarHBondContact O-N 3.39Å; R149-I153 WeakPolarHBondContact O-CD1 3.15Å; R149-I153 WeakPolarHBondContact O-CG1 3.48Å; R149-I153 PolarHBondContact O-N 3.04Å; R149-I153 VanDerWaalsContact O-N 3.15Å
150	E	55.2	Low	55.7	Low	122 Å²	122	120.6 Å²	120.6	57%	0.57	63%	0.631	S	S	*	*	H	α-helix	trans	-74	-41.4	178.9	-129.1	168.8	-172.5	0	0	111.2	P147 I153 Q154	P147-E150 PolarHBondContact O-N 3.23Å; E150-I153 PolarHBondContact O-N 3.11Å; E150-Q154 WeakPolarHBondContact O-CG 3.2Å; E150-Q154 PolarHBondContact O-N 3.31Å
151	E	62.5	Low	57	Low	139 Å²	139	113.6 Å²	113.6	65%	0.65	61%	0.608	S	S	*	*	H	α-helix	trans	-63.8	-40.1	172.6	-72.3	-176.7	166.8	0	0	112.2	P147 I153 Q154 S155	P147-E151 PolarHBondContact O-N 2.72Å; E151-I153 PolarHBondContact O-N 3.04Å; E151-Q154 PolarHBondContact O-N 2.85Å; E151-S155 WeakPolarHBondContact O-CB 3.39Å; E151-S155 PolarHBondContact O-N 2.8Å
152	L	68	Low	58.5	Low	122 Å²	122	108.4 Å²	108.4	64%	0.639	58%	0.583	S	S	*	*	H	α-helix	trans	-64.5	-41.1	177.1	-154.3	82.9	0	0	0	111.8	E148 S155 V156	E148-L152 WeakPolarHBondContact O-CB 3.42Å; E148-L152 PolarHBondContact O-N 2.84Å; L152-S155 PolarHBondContact O-N 2.74Å; L152-V156 VanDerWaalsContact O-CG2 3.29Å; L152-V156 WeakPolarHBondContact O-CG2 3.43Å; L152-V156 PolarHBondContact O-N 2.7Å
153	I	65.8	Low	60	Low	94 Å²	94	110.4 Å²	110.4	48%	0.482	57%	0.572	S	S	.	*	H	α-helix	trans	-67.4	-41.5	177.7	-69.4	164.9	0	0	0	110.6	R149 E150 E151 V156 L157	R149-I153 WeakPolarHBondContact O-CD1 3.15Å; R149-I153 WeakPolarHBondContact O-CG1 3.48Å; R149-I153 PolarHBondContact O-N 3.04Å; R149-I153 VanDerWaalsContact O-N 3.15Å; E150-I153 PolarHBondContact O-N 3.11Å; E151-I153 PolarHBondContact O-N 3.04Å; I153-V156 PolarHBondContact O-N 2.78Å; I153-L157 HydrophobicContact CG2-CD1 3.91Å; I153-L157 HydrophobicContact CG2-CG 4.45Å; I153-L157 WeakPolarHBondContact O-CB 3.34Å; I153-L157 VanDerWaalsContact O-CG 3.28Å; I153-L157 WeakPolarHBondContact O-CG 3.41Å; I153-L157 PolarHBondContact O-N 3.16Å
154	Q	66.1	Low	61	Low	135 Å²	135	107.3 Å²	107.3	63%	0.631	56%	0.556	S	S	*	*	H	α-helix	trans	-64.1	-40.6	175.3	-74.9	-172.2	3.7	0	0	112.4	E150 E151 L157 A158	E150-Q154 WeakPolarHBondContact O-CG 3.2Å; E150-Q154 PolarHBondContact O-N 3.31Å; E151-Q154 PolarHBondContact O-N 2.85Å; Q154-L157 PolarHBondContact O-N 3.21Å; Q154-A158 WeakPolarHBondContact O-CB 3.35Å; Q154-A158 PolarHBondContact O-N 3.04Å
155	S	71.4	Confident	61.9	Low	66 Å²	66	101.8 Å²	101.8	46%	0.462	54%	0.538	S	S	.	.	H	α-helix	trans	-63.3	-41.8	175.9	-178.6	0	0	0	0	112.3	E151 L152 A158 Q159	E151-S155 WeakPolarHBondContact O-CB 3.39Å; E151-S155 PolarHBondContact O-N 2.8Å; L152-S155 PolarHBondContact O-N 2.74Å; S155-A158 PolarHBondContact O-N 3.4Å; S155-Q159 PolarHBondContact O-N 3.4Å; S155-Q159 VanDerWaalsContact O-N 3.09Å
156	V	72.9	Confident	62.6	Low	77 Å²	77	104.4 Å²	104.4	47%	0.467	54%	0.54	S	S	.	.	H	α-helix	trans	-68	-41.2	177.5	172	0	0	0	0	110.8	L152 I153 A158 Q159 V160	L152-V156 VanDerWaalsContact O-CG2 3.29Å; L152-V156 WeakPolarHBondContact O-CG2 3.43Å; L152-V156 PolarHBondContact O-N 2.7Å; I153-V156 PolarHBondContact O-N 2.78Å; V156-A158 VanDerWaalsContact C-N 3.34Å; V156-A158 PolarHBondContact O-N 3.17Å; V156-Q159 PolarHBondContact O-N 2.82Å; V156-V160 HydrophobicContact CG1-CG2 4.39Å; V156-V160 WeakPolarHBondContact O-CB 3.19Å; V156-V160 VanDerWaalsContact O-CG2 3.26Å; V156-V160 WeakPolarHBondContact O-CG2 3.17Å; V156-V160 PolarHBondContact O-N 3.48Å
157	L	63.9	Low	62.9	Low	112 Å²	112	103 Å²	103	59%	0.586	54%	0.535	S	S	*	.	H	α-helix	trans	-63.6	-38.5	176.1	-74.2	170.2	0	0	0	112.4	I153 Q154 V160 A161	I153-L157 HydrophobicContact CG2-CD1 3.91Å; I153-L157 HydrophobicContact CG2-CG 4.45Å; I153-L157 WeakPolarHBondContact O-CB 3.34Å; I153-L157 VanDerWaalsContact O-CG 3.28Å; I153-L157 WeakPolarHBondContact O-CG 3.41Å; I153-L157 PolarHBondContact O-N 3.16Å; Q154-L157 PolarHBondContact O-N 3.21Å; L157-V160 PolarHBondContact O-N 3.43Å; L157-A161 WeakPolarHBondContact O-CB 3.28Å; L157-A161 PolarHBondContact O-N 2.82Å
158	A	66.8	Low	62.9	Low	61 Å²	61	105.8 Å²	105.8	50%	0.504	54%	0.538	S	S	.	.	H	α-helix	trans	-64.8	-43.7	175.4	0	0	0	0	0	112.1	Q154 S155 V156 A161 E162	Q154-A158 WeakPolarHBondContact O-CB 3.35Å; Q154-A158 PolarHBondContact O-N 3.04Å; S155-A158 PolarHBondContact O-N 3.4Å; V156-A158 VanDerWaalsContact C-N 3.34Å; V156-A158 PolarHBondContact O-N 3.17Å; A158-A161 PolarHBondContact O-N 3.27Å; A158-E162 PolarHBondContact O-N 2.91Å
159	Q	69.2	Low	63.2	Low	121 Å²	121	104.9 Å²	104.9	57%	0.565	53%	0.532	S	S	*	.	H	α-helix	trans	-64	-41.4	175.2	-85.1	-177.8	-18.8	0	0	112.4	S155 V156 E162 Q163	S155-Q159 PolarHBondContact O-N 3.4Å; S155-Q159 VanDerWaalsContact O-N 3.09Å; V156-Q159 PolarHBondContact O-N 2.82Å; Q159-E162 PolarHBondContact O-N 3.29Å; Q159-Q163 VanDerWaalsContact O-CG 3.31Å; Q159-Q163 WeakPolarHBondContact O-CG 3.29Å; Q159-Q163 PolarHBondContact O-N 3.39Å
160	V	64.9	Low	63.6	Low	67 Å²	67	101.8 Å²	101.8	41%	0.406	53%	0.527	S	S	.	.	H	α-helix	trans	-64.5	-43.6	176.9	171.2	0	0	0	0	110.4	V156 L157 E162 Q163 F164	V156-V160 HydrophobicContact CG1-CG2 4.39Å; V156-V160 WeakPolarHBondContact O-CB 3.19Å; V156-V160 VanDerWaalsContact O-CG2 3.26Å; V156-V160 WeakPolarHBondContact O-CG2 3.17Å; V156-V160 PolarHBondContact O-N 3.48Å; L157-V160 PolarHBondContact O-N 3.43Å; V160-E162 VanDerWaalsContact C-N 3.33Å; V160-E162 PolarHBondContact O-N 3.47Å; V160-Q163 PolarHBondContact O-N 2.89Å; V160-F164 HydrophobicContact CG1-CD2 3.61Å; V160-F164 HydrophobicContact CG1-CE2 3.53Å; V160-F164 VanDerWaalsContact O-CD2 3.22Å; V160-F164 WeakPolarHBondContact O-CD2 3.34Å; V160-F164 PolarHBondContact O-N 3.09Å
161	A	60.5	Low	63.7	Low	54 Å²	54	100.6 Å²	100.6	45%	0.446	52%	0.524	S	S	.	.	H	α-helix	trans	-59.6	-42	175.2	0	0	0	0	0	112.3	L157 A158 Q163 F164 S165	L157-A161 WeakPolarHBondContact O-CB 3.28Å; L157-A161 PolarHBondContact O-N 2.82Å; A158-A161 PolarHBondContact O-N 3.27Å; A161-Q163 PolarHBondContact O-N 2.93Å; A161-F164 PolarHBondContact O-N 3.29Å; A161-S165 PolarHBondContact O-N 3.44Å; A161-S165 PolarHBondContact O-OG 3.49Å
162	E	65.8	Low	63.7	Low	94 Å²	94	100.5 Å²	100.5	44%	0.439	52%	0.524	S	S	.	.	H	α-helix	trans	-64.3	-40.6	176.9	-165	-173.6	166.8	0	0	112.2	A158 Q159 V160 S165 R166	A158-E162 PolarHBondContact O-N 2.91Å; Q159-E162 PolarHBondContact O-N 3.29Å; V160-E162 VanDerWaalsContact C-N 3.33Å; V160-E162 PolarHBondContact O-N 3.47Å; E162-S165 PolarHBondContact O-N 3.45Å; E162-R166 WeakPolarHBondContact O-CG 3.37Å; E162-R166 PolarHBondContact O-N 2.98Å; E162-R166 IonicContact OE1-CZ 3.92Å; E162-R166 IonicContact OE1-NE 2.89Å; E162-R166 PolarHBondContact OE1-NE 2.67Å; E162-R166 IonicContact OE1-NH2 2.84Å; E162-R166 PolarHBondContact OE1-NH2 3.37Å
163	Q	64.9	Low	63.3	Low	117 Å²	117	99.8 Å²	99.8	55%	0.547	52%	0.52	S	S	.	.	H	α-helix	trans	-66	-39.6	175.9	-67.9	-62.3	-35.7	0	0	111.9	Q159 V160 A161 R166 A167	Q159-Q163 VanDerWaalsContact O-CG 3.31Å; Q159-Q163 WeakPolarHBondContact O-CG 3.29Å; Q159-Q163 PolarHBondContact O-N 3.39Å; V160-Q163 PolarHBondContact O-N 2.89Å; A161-Q163 PolarHBondContact O-N 2.93Å; Q163-R166 PolarHBondContact O-N 3.02Å; Q163-A167 WeakPolarHBondContact O-CB 3.48Å; Q163-A167 PolarHBondContact O-N 3.14Å
164	F	57.3	Low	62.9	Low	124 Å²	124	102 Å²	102	54%	0.544	53%	0.526	S	S	.	.	H	α-helix	trans	-64.7	-45.4	172.9	-85	-73.9	0	0	0	111.5	V160 A161 R166 A167 F168	V160-F164 HydrophobicContact CG1-CD2 3.61Å; V160-F164 HydrophobicContact CG1-CE2 3.53Å; V160-F164 VanDerWaalsContact O-CD2 3.22Å; V160-F164 WeakPolarHBondContact O-CD2 3.34Å; V160-F164 PolarHBondContact O-N 3.09Å; A161-F164 PolarHBondContact O-N 3.29Å; F164-R166 VanDerWaalsContact C-N 3.3Å; F164-R166 PolarHBondContact O-N 3.06Å; F164-A167 PolarHBondContact O-N 2.73Å; F164-A167 VanDerWaalsContact O-N 3.15Å; F164-F168 HydrophobicContact CD1-CE2 4.35Å; F164-F168 VanDerWaalsContact O-CD2 3.28Å; F164-F168 WeakPolarHBondContact O-CD2 3.28Å; F164-F168 PolarHBondContact O-N 2.86Å
165	S	58.3	Low	62.7	Low	70 Å²	70	98.3 Å²	98.3	49%	0.49	52%	0.519	S	S	.	.	H	α-helix	trans	-60.1	-37.1	176.1	-67	0	0	0	0	112.8	A161 E162 K169	A161-S165 PolarHBondContact O-N 3.44Å; A161-S165 PolarHBondContact O-OG 3.49Å; E162-S165 PolarHBondContact O-N 3.45Å; S165-K169 WeakPolarHBondContact O-CB 3.28Å; S165-K169 VanDerWaalsContact O-CG 3.31Å; S165-K169 WeakPolarHBondContact O-CG 3.29Å; S165-K169 PolarHBondContact O-N 3.45Å; S165-K169 VanDerWaalsContact O-N 3.08Å
166	R	63.9	Low	62.1	Low	132 Å²	132	100.4 Å²	100.4	50%	0.498	52%	0.521	S	S	.	.	H	α-helix	trans	-67.3	-43.3	173.4	-72.5	178.1	-172.2	-161.4	4.1	111.9	E162 Q163 F164 K169 I170	E162-R166 WeakPolarHBondContact O-CG 3.37Å; E162-R166 PolarHBondContact O-N 2.98Å; E162-R166 IonicContact OE1-CZ 3.92Å; E162-R166 IonicContact OE1-NE 2.89Å; E162-R166 PolarHBondContact OE1-NE 2.67Å; E162-R166 IonicContact OE1-NH2 2.84Å; E162-R166 PolarHBondContact OE1-NH2 3.37Å; Q163-R166 PolarHBondContact O-N 3.02Å; F164-R166 VanDerWaalsContact C-N 3.3Å; F164-R166 PolarHBondContact O-N 3.06Å; R166-K169 PolarHBondContact O-N 3.23Å; R166-I170 VanDerWaalsContact O-CG1 3.26Å; R166-I170 WeakPolarHBondContact O-CG1 3.47Å; R166-I170 PolarHBondContact O-N 3.48Å
167	A	57.7	Low	61.5	Low	46 Å²	46	101 Å²	101	38%	0.38	52%	0.524	S	S	.	.	H	α-helix	trans	-65.1	-39.3	178.2	0	0	0	0	0	112.7	Q163 F164 I170 N171	Q163-A167 WeakPolarHBondContact O-CB 3.48Å; Q163-A167 PolarHBondContact O-N 3.14Å; F164-A167 PolarHBondContact O-N 2.73Å; F164-A167 VanDerWaalsContact O-N 3.15Å; A167-I170 PolarHBondContact O-N 3Å; A167-N171 PolarHBondContact O-N 2.92Å
168	F	54.9	Low	61.2	Low	145 Å²	145	98.4 Å²	98.4	64%	0.636	52%	0.519	S	S	*	.	H	α-helix	trans	-65	-45	174.1	-87.8	-78.2	0	0	0	111.9	F164 I170 N171 E172	F164-F168 HydrophobicContact CD1-CE2 4.35Å; F164-F168 VanDerWaalsContact O-CD2 3.28Å; F164-F168 WeakPolarHBondContact O-CD2 3.28Å; F164-F168 PolarHBondContact O-N 2.86Å; F168-I170 VanDerWaalsContact C-N 3.27Å; F168-I170 PolarHBondContact O-N 2.95Å; F168-N171 PolarHBondContact O-N 3.4Å; F168-N171 VanDerWaalsContact O-N 3.15Å; F168-E172 WeakPolarHBondContact O-CB 3.28Å; F168-E172 PolarHBondContact O-N 3.34Å
169	K	63.3	Low	61	Low	139 Å²	139	100.9 Å²	100.9	60%	0.604	52%	0.524	S	S	*	.	H	α-helix	trans	-58.6	-36.8	173.6	-76.6	178.3	179.8	-175.6	0	112.8	S165 R166 L173	S165-K169 WeakPolarHBondContact O-CB 3.28Å; S165-K169 VanDerWaalsContact O-CG 3.31Å; S165-K169 WeakPolarHBondContact O-CG 3.29Å; S165-K169 PolarHBondContact O-N 3.45Å; S165-K169 VanDerWaalsContact O-N 3.08Å; R166-K169 PolarHBondContact O-N 3.23Å; K169-L173 WeakPolarHBondContact O-CB 3.15Å; K169-L173 PolarHBondContact O-N 3.33Å
170	I	62.6	Low	60.6	Low	100 Å²	100	100.8 Å²	100.8	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-69.8	-38.9	177	-70.1	165.1	0	0	0	111.6	R166 A167 F168 K174	R166-I170 VanDerWaalsContact O-CG1 3.26Å; R166-I170 WeakPolarHBondContact O-CG1 3.47Å; R166-I170 PolarHBondContact O-N 3.48Å; A167-I170 PolarHBondContact O-N 3Å; F168-I170 VanDerWaalsContact C-N 3.27Å; F168-I170 PolarHBondContact O-N 2.95Å; I170-K174 WeakPolarHBondContact O-CB 3.08Å; I170-K174 WeakPolarHBondContact O-CG 3.36Å; I170-K174 PolarHBondContact O-N 3.12Å
171	N	56.8	Low	60.2	Low	97 Å²	97	102.3 Å²	102.3	52%	0.519	53%	0.529	S	S	.	.	H	α-helix	trans	-71.1	-36.1	177.4	-77.8	-20.2	0	0	0	112.2	A167 F168 K174 A175	A167-N171 PolarHBondContact O-N 2.92Å; F168-N171 PolarHBondContact O-N 3.4Å; F168-N171 VanDerWaalsContact O-N 3.15Å; N171-K174 PolarHBondContact O-N 3Å; N171-A175 PolarHBondContact O-N 3.44Å
172	E	63.2	Low	60.3	Low	138 Å²	138	102.1 Å²	102.1	65%	0.645	53%	0.527	S	S	*	.	H	α-helix	trans	-65	-46.4	173	-164.9	170.2	-162.8	0	0	111	F168 K174 A175 E176	F168-E172 WeakPolarHBondContact O-CB 3.28Å; F168-E172 PolarHBondContact O-N 3.34Å; E172-K174 VanDerWaalsContact C-N 3.3Å; E172-K174 PolarHBondContact O-N 3.28Å; E172-A175 PolarHBondContact O-N 2.93Å; E172-A175 VanDerWaalsContact O-N 3.17Å; E172-E176 WeakPolarHBondContact O-CB 3.37Å; E172-E176 PolarHBondContact O-N 3.45Å
173	L	59	Low	60.2	Low	107 Å²	107	101.9 Å²	101.9	56%	0.56	53%	0.532	S	S	*	.	H	α-helix	trans	-59.7	-38.7	172.3	-118.9	100.1	0	0	0	112.4	K169 E176 V177	K169-L173 WeakPolarHBondContact O-CB 3.15Å; K169-L173 PolarHBondContact O-N 3.33Å; L173-E176 PolarHBondContact O-N 3.12Å; L173-V177 WeakPolarHBondContact O-CB 3.44Å; L173-V177 WeakPolarHBondContact O-CG2 3.38Å; L173-V177 PolarHBondContact O-N 2.82Å
174	K	57.4	Low	59.7	Low	141 Å²	141	101 Å²	101	61%	0.613	53%	0.531	S	S	*	.	H	α-helix	trans	-65.2	-40.5	176.6	-87.8	-177.4	175.4	-179.8	0	112.1	I170 N171 E172 A178	I170-K174 WeakPolarHBondContact O-CB 3.08Å; I170-K174 WeakPolarHBondContact O-CG 3.36Å; I170-K174 PolarHBondContact O-N 3.12Å; N171-K174 PolarHBondContact O-N 3Å; E172-K174 VanDerWaalsContact C-N 3.3Å; E172-K174 PolarHBondContact O-N 3.28Å; K174-A178 VanDerWaalsContact O-CB 3.26Å; K174-A178 WeakPolarHBondContact O-CB 3.24Å; K174-A178 PolarHBondContact O-N 3.1Å
175	A	61.6	Low	59.8	Low	57 Å²	57	100.6 Å²	100.6	47%	0.471	53%	0.531	S	S	.	.	H	α-helix	trans	-66.9	-41.3	176.7	0	0	0	0	0	111.3	N171 E172 A178 N179	N171-A175 PolarHBondContact O-N 3.44Å; E172-A175 PolarHBondContact O-N 2.93Å; E172-A175 VanDerWaalsContact O-N 3.17Å; A175-A178 PolarHBondContact O-N 3.19Å; A175-N179 PolarHBondContact O-N 2.61Å
176	E	58.6	Low	60	Low	110 Å²	110	104.1 Å²	104.1	51%	0.514	54%	0.537	S	S	.	.	H	α-helix	trans	-64	-46	176.1	-168.7	177.4	-171.6	0	0	111.8	E172 L173 A178 N179 H180	E172-E176 WeakPolarHBondContact O-CB 3.37Å; E172-E176 PolarHBondContact O-N 3.45Å; L173-E176 PolarHBondContact O-N 3.12Å; E176-A178 PolarHBondContact O-N 3.12Å; E176-N179 PolarHBondContact O-N 3.41Å; E176-H180 WeakPolarHBondContact O-CB 3.48Å; E176-H180 PolarHBondContact O-CD2 3.36Å; E176-H180 PolarHBondContact O-N 3.08Å
177	V	60.3	Low	59.8	Low	88 Å²	88	105.7 Å²	105.7	53%	0.533	54%	0.543	S	S	.	.	H	α-helix	trans	-63.7	-40.1	175.4	170.5	0	0	0	0	111.4	L173 H180 L181	L173-V177 WeakPolarHBondContact O-CB 3.44Å; L173-V177 WeakPolarHBondContact O-CG2 3.38Å; L173-V177 PolarHBondContact O-N 2.82Å; V177-H180 PolarHBondContact O-N 2.79Å; V177-L181 WeakPolarHBondContact O-CB 3.32Å; V177-L181 PolarHBondContact O-N 3.36Å
178	A	58	Low	59.9	Low	58 Å²	58	108.5 Å²	108.5	48%	0.479	56%	0.555	S	S	.	*	H	α-helix	trans	-64.9	-41.7	176.6	0	0	0	0	0	112.1	K174 A175 E176 L181 A182	K174-A178 VanDerWaalsContact O-CB 3.26Å; K174-A178 WeakPolarHBondContact O-CB 3.24Å; K174-A178 PolarHBondContact O-N 3.1Å; A175-A178 PolarHBondContact O-N 3.19Å; E176-A178 PolarHBondContact O-N 3.12Å; A178-L181 PolarHBondContact O-N 3.17Å; A178-A182 PolarHBondContact O-N 2.79Å
179	N	63.8	Low	60.2	Low	113 Å²	113	108.2 Å²	108.2	60%	0.604	56%	0.556	S	S	*	*	H	α-helix	trans	-64.7	-42.9	173.9	-88.3	-11.6	0	0	0	111.9	A175 E176 L181 A182 V183	A175-N179 PolarHBondContact O-N 2.61Å; E176-N179 PolarHBondContact O-N 3.41Å; N179-L181 VanDerWaalsContact C-N 3.32Å; N179-L181 PolarHBondContact O-N 2.92Å; N179-A182 PolarHBondContact O-N 2.92Å; N179-V183 WeakPolarHBondContact O-CG2 3.48Å; N179-V183 PolarHBondContact O-N 2.66Å
180	H	59.5	Low	60.1	Low	120 Å²	120	106.1 Å²	106.1	56%	0.556	55%	0.551	S	S	*	*	H	α-helix	trans	-62.6	-39.3	175.8	-86.5	-141.2	0	0	0	112	E176 V177 V183 L184	E176-H180 WeakPolarHBondContact O-CB 3.48Å; E176-H180 PolarHBondContact O-CD2 3.36Å; E176-H180 PolarHBondContact O-N 3.08Å; V177-H180 PolarHBondContact O-N 2.79Å; H180-V183 PolarHBondContact O-N 3.16Å; H180-L184 WeakPolarHBondContact O-CB 3.5Å; H180-L184 VanDerWaalsContact O-CG 3.28Å; H180-L184 WeakPolarHBondContact O-CG 3.11Å; H180-L184 PolarHBondContact O-N 3.17Å
181	L	57	Low	60	Low	99 Å²	99	105.8 Å²	105.8	52%	0.518	55%	0.547	S	S	.	.	H	α-helix	trans	-63	-46.1	175.9	-153	85.8	0	0	0	111.1	V177 A178 N179 V183 L184 E185	V177-L181 WeakPolarHBondContact O-CB 3.32Å; V177-L181 PolarHBondContact O-N 3.36Å; A178-L181 PolarHBondContact O-N 3.17Å; N179-L181 VanDerWaalsContact C-N 3.32Å; N179-L181 PolarHBondContact O-N 2.92Å; L181-V183 PolarHBondContact O-N 3.29Å; L181-L184 PolarHBondContact O-N 3.49Å; L181-E185 WeakPolarHBondContact O-CG 3.31Å; L181-E185 PolarHBondContact O-N 2.87Å
182	A	61.5	Low	60.2	Low	50 Å²	50	102.9 Å²	102.9	41%	0.413	54%	0.54	S	S	.	.	H	α-helix	trans	-63.7	-38.1	178.8	0	0	0	0	0	112.8	A178 N179 K186	A178-A182 PolarHBondContact O-N 2.79Å; N179-A182 PolarHBondContact O-N 2.92Å; A182-K186 WeakPolarHBondContact O-CB 3.39Å; A182-K186 PolarHBondContact O-N 2.89Å
183	V	64.5	Low	60.1	Low	88 Å²	88	101.7 Å²	101.7	53%	0.533	54%	0.537	S	S	.	.	H	α-helix	trans	-67.1	-40.5	174.7	171.4	0	0	0	0	111.2	N179 H180 L181 R187	N179-V183 WeakPolarHBondContact O-CG2 3.48Å; N179-V183 PolarHBondContact O-N 2.66Å; H180-V183 PolarHBondContact O-N 3.16Å; L181-V183 PolarHBondContact O-N 3.29Å; V183-R187 WeakPolarHBondContact O-CB 3.44Å; V183-R187 PolarHBondContact O-N 3.39Å
184	L	54	Low	60.5	Low	100 Å²	100	101 Å²	101	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-67.5	-42.3	176.9	-75.6	169.4	0	0	0	112	H180 L181 R187 V188	H180-L184 WeakPolarHBondContact O-CB 3.5Å; H180-L184 VanDerWaalsContact O-CG 3.28Å; H180-L184 WeakPolarHBondContact O-CG 3.11Å; H180-L184 PolarHBondContact O-N 3.17Å; L181-L184 PolarHBondContact O-N 3.49Å; L184-R187 PolarHBondContact O-N 3.25Å; L184-V188 WeakPolarHBondContact O-CB 3.44Å; L184-V188 VanDerWaalsContact O-CG2 3.29Å; L184-V188 WeakPolarHBondContact O-CG2 3.46Å; L184-V188 PolarHBondContact O-N 2.92Å
185	E	59.3	Low	61	Low	115 Å²	115	98.3 Å²	98.3	54%	0.537	53%	0.525	S	S	.	.	H	α-helix	trans	-58.7	-47.6	174.3	-76	174.7	165.5	0	0	111	L181 R187 V188 E189	L181-E185 WeakPolarHBondContact O-CG 3.31Å; L181-E185 PolarHBondContact O-N 2.87Å; E185-R187 VanDerWaalsContact C-N 3.3Å; E185-R187 PolarHBondContact O-N 3.09Å; E185-V188 PolarHBondContact O-N 3.17Å; E185-V188 VanDerWaalsContact O-N 3.16Å; E185-E189 WeakPolarHBondContact O-CG 3.39Å; E185-E189 PolarHBondContact O-N 2.87Å
186	K	63.4	Low	61.4	Low	143 Å²	143	100.3 Å²	100.3	62%	0.622	53%	0.531	S	S	*	.	H	α-helix	trans	-62.8	-36	176.7	-165	174.6	-176.3	179.6	0	112.6	A182 L190	A182-K186 WeakPolarHBondContact O-CB 3.39Å; A182-K186 PolarHBondContact O-N 2.89Å; K186-L190 WeakPolarHBondContact O-CB 3.39Å; K186-L190 PolarHBondContact O-N 3.49Å; K186-L190 VanDerWaalsContact O-N 3.07Å
187	R	59.9	Low	61.6	Low	165 Å²	165	101.4 Å²	101.4	62%	0.623	54%	0.536	S	S	*	.	H	α-helix	trans	-69.2	-39.3	174.9	-169.8	178.8	-73.4	-154.7	-1.8	111.4	V183 L184 E185 L190 E191	V183-R187 WeakPolarHBondContact O-CB 3.44Å; V183-R187 PolarHBondContact O-N 3.39Å; L184-R187 PolarHBondContact O-N 3.25Å; E185-R187 VanDerWaalsContact C-N 3.3Å; E185-R187 PolarHBondContact O-N 3.09Å; R187-L190 PolarHBondContact O-N 3.36Å; R187-E191 WeakPolarHBondContact O-CB 3.46Å; R187-E191 WeakPolarHBondContact O-CG 3.48Å; R187-E191 PolarHBondContact O-N 3.35Å
188	V	60.2	Low	61.6	Low	105 Å²	105	101.5 Å²	101.5	64%	0.636	53%	0.533	S	S	*	.	H	α-helix	trans	-65.9	-39.6	175.1	169.6	0	0	0	0	111.3	L184 E185 E191 G192	L184-V188 WeakPolarHBondContact O-CB 3.44Å; L184-V188 VanDerWaalsContact O-CG2 3.29Å; L184-V188 WeakPolarHBondContact O-CG2 3.46Å; L184-V188 PolarHBondContact O-N 2.92Å; E185-V188 PolarHBondContact O-N 3.17Å; E185-V188 VanDerWaalsContact O-N 3.16Å; V188-E191 PolarHBondContact O-N 3.16Å; V188-G192 PolarHBondContact O-N 3.41Å
189	E	60.5	Low	62.1	Low	139 Å²	139	103.6 Å²	103.6	65%	0.65	53%	0.533	S	S	*	.	H	α-helix	trans	-61.8	-44.1	172.8	-74.3	179.7	170.4	0	0	111.9	E185 G192 L193	E185-E189 WeakPolarHBondContact O-CG 3.39Å; E185-E189 PolarHBondContact O-N 2.87Å; E189-G192 PolarHBondContact O-N 3.12Å; E189-L193 WeakPolarHBondContact O-CG 3.33Å; E189-L193 PolarHBondContact O-N 3.15Å
190	L	61.2	Low	62.5	Low	95 Å²	95	105 Å²	105	50%	0.497	53%	0.534	S	S	.	.	H	α-helix	trans	-64.6	-43	177.4	-120.6	141.6	0	0	0	112.4	K186 R187 G192 L193 K194	K186-L190 WeakPolarHBondContact O-CB 3.39Å; K186-L190 PolarHBondContact O-N 3.49Å; K186-L190 VanDerWaalsContact O-N 3.07Å; R187-L190 PolarHBondContact O-N 3.36Å; L190-G192 VanDerWaalsContact C-N 3.32Å; L190-L193 PolarHBondContact O-N 3.42Å; L190-K194 WeakPolarHBondContact O-CG 3.33Å; L190-K194 PolarHBondContact O-N 2.93Å; L190-K194 VanDerWaalsContact O-N 3.15Å
191	E	60	Low	62.3	Low	93 Å²	93	102.6 Å²	102.6	44%	0.435	53%	0.529	S	S	.	.	H	α-helix	trans	-67.1	-33.9	173.4	-71.3	-59.1	138.6	0	0	111.8	R187 V188 K194 V195	R187-E191 WeakPolarHBondContact O-CB 3.46Å; R187-E191 WeakPolarHBondContact O-CG 3.48Å; R187-E191 PolarHBondContact O-N 3.35Å; V188-E191 PolarHBondContact O-N 3.16Å; E191-K194 WeakPolarHBondContact O-CB 3.32Å; E191-K194 PolarHBondContact O-N 3.06Å; E191-K194 IonicContact OE1-NZ 3.01Å; E191-K194 PolarHBondContact OE1-NZ 2.99Å; E191-V195 WeakPolarHBondContact O-CG2 3.45Å; E191-V195 PolarHBondContact O-N 3.45Å
192	G	62	Low	62.5	Low	36 Å²	36	103.2 Å²	103.2	37%	0.371	53%	0.528	S	S	.	.	H	α-helix	trans	-61.1	-41.9	172	0	0	0	0	0	112.8	V188 E189 L190 V195 V196	V188-G192 PolarHBondContact O-N 3.41Å; E189-G192 PolarHBondContact O-N 3.12Å; L190-G192 VanDerWaalsContact C-N 3.32Å; G192-V195 PolarHBondContact O-N 3.44Å; G192-V196 PolarHBondContact O-N 2.68Å
193	L	59.9	Low	63	Low	114 Å²	114	104.2 Å²	104.2	60%	0.597	53%	0.532	S	S	*	.	H	α-helix	trans	-63.4	-41.5	174.2	-71.6	168.4	0	0	0	111.8	E189 L190 V195 V196 E197	E189-L193 WeakPolarHBondContact O-CG 3.33Å; E189-L193 PolarHBondContact O-N 3.15Å; L190-L193 PolarHBondContact O-N 3.42Å; L193-V195 VanDerWaalsContact C-N 3.3Å; L193-V195 PolarHBondContact O-N 3.21Å; L193-V196 WeakPolarHBondContact O-CB 3.3Å; L193-V196 PolarHBondContact O-N 3.01Å; L193-V196 VanDerWaalsContact O-N 3.14Å; L193-E197 PolarHBondContact O-N 2.81Å
194	K	67.6	Low	63.1	Low	91 Å²	91	103.7 Å²	103.7	40%	0.396	53%	0.526	S	S	.	.	H	α-helix	trans	-61.1	-37.4	174	-68.2	177.2	-173.7	172.1	0	112.2	L190 E191 V196 E197 I198	L190-K194 WeakPolarHBondContact O-CG 3.33Å; L190-K194 PolarHBondContact O-N 2.93Å; L190-K194 VanDerWaalsContact O-N 3.15Å; E191-K194 WeakPolarHBondContact O-CB 3.32Å; E191-K194 PolarHBondContact O-N 3.06Å; E191-K194 IonicContact OE1-NZ 3.01Å; E191-K194 PolarHBondContact OE1-NZ 2.99Å; K194-V196 VanDerWaalsContact C-N 3.33Å; K194-V196 PolarHBondContact O-N 3.25Å; K194-E197 PolarHBondContact O-N 2.88Å; K194-I198 WeakPolarHBondContact O-CB 3.49Å; K194-I198 WeakPolarHBondContact O-CD1 3.4Å; K194-I198 WeakPolarHBondContact O-CG1 3.41Å; K194-I198 PolarHBondContact O-N 2.98Å
195	V	69	Low	63.6	Low	86 Å²	86	102.3 Å²	102.3	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-63.6	-39.3	175.3	172.8	0	0	0	0	111.4	E191 G192 L193 I198 E199	E191-V195 WeakPolarHBondContact O-CG2 3.45Å; E191-V195 PolarHBondContact O-N 3.45Å; G192-V195 PolarHBondContact O-N 3.44Å; L193-V195 VanDerWaalsContact C-N 3.3Å; L193-V195 PolarHBondContact O-N 3.21Å; V195-I198 PolarHBondContact O-N 3.45Å; V195-E199 PolarHBondContact O-N 3.23Å
196	V	69.5	Low	64.3	Low	98 Å²	98	103.1 Å²	103.1	59%	0.594	52%	0.52	S	S	*	.	H	α-helix	trans	-65.5	-42.1	175.5	178.2	0	0	0	0	111.2	G192 L193 K194 E199 K200	G192-V196 PolarHBondContact O-N 2.68Å; L193-V196 WeakPolarHBondContact O-CB 3.3Å; L193-V196 PolarHBondContact O-N 3.01Å; L193-V196 VanDerWaalsContact O-N 3.14Å; K194-V196 VanDerWaalsContact C-N 3.33Å; K194-V196 PolarHBondContact O-N 3.25Å; V196-E199 PolarHBondContact O-N 2.91Å; V196-K200 WeakPolarHBondContact O-CB 3.27Å; V196-K200 PolarHBondContact O-N 2.96Å
197	E	63	Low	64.6	Low	133 Å²	133	102.4 Å²	102.4	62%	0.621	52%	0.517	S	S	*	.	H	α-helix	trans	-65.1	-38.4	175.4	-71	-178.2	160.6	0	0	112.3	L193 K194 K200 C201	L193-E197 PolarHBondContact O-N 2.81Å; K194-E197 PolarHBondContact O-N 2.88Å; E197-K200 PolarHBondContact O-N 3.48Å; E197-C201 VanDerWaalsContact O-CB 3.29Å; E197-C201 WeakPolarHBondContact O-CB 3.32Å; E197-C201 PolarHBondContact O-N 2.8Å
198	I	60.6	Low	64.6	Low	90 Å²	90	100.1 Å²	100.1	46%	0.462	52%	0.515	S	S	.	.	H	α-helix	trans	-64.1	-42.9	174	-71.9	164.1	0	0	0	110.8	K194 V195 C201 K202	K194-I198 WeakPolarHBondContact O-CB 3.49Å; K194-I198 WeakPolarHBondContact O-CD1 3.4Å; K194-I198 WeakPolarHBondContact O-CG1 3.41Å; K194-I198 PolarHBondContact O-N 2.98Å; V195-I198 PolarHBondContact O-N 3.45Å; I198-C201 PolarHBondContact O-N 3.07Å; I198-K202 HydrophobicContact CG2-CD 4.38Å; I198-K202 WeakPolarHBondContact O-CB 3.38Å; I198-K202 WeakPolarHBondContact O-CG 3.43Å; I198-K202 PolarHBondContact O-N 3.48Å
199	E	68.8	Low	64.7	Low	102 Å²	102	104 Å²	104	48%	0.477	52%	0.518	S	S	.	.	H	α-helix	trans	-66.6	-37.8	176.2	-77	-58.8	133.5	0	0	112.1	V195 V196 K202 S203	V195-E199 PolarHBondContact O-N 3.23Å; V196-E199 PolarHBondContact O-N 2.91Å; E199-K202 PolarHBondContact O-N 3.42Å; E199-K202 WeakPolarHBondContact OE1-CD 3.35Å; E199-K202 IonicContact OE1-NZ 3.7Å; E199-K202 PolarHBondContact OE1-NZ 3.09Å; E199-S203 WeakPolarHBondContact O-CB 3.21Å; E199-S203 PolarHBondContact O-N 3.31Å
200	K	70.6	Confident	65.2	Low	144 Å²	144	102.9 Å²	102.9	63%	0.626	51%	0.513	S	S	*	.	H	α-helix	trans	-61.8	-47.1	171.7	-172.3	-179	177.4	-173.3	0	111.2	V196 E197 K202 S203 D204	V196-K200 WeakPolarHBondContact O-CB 3.27Å; V196-K200 PolarHBondContact O-N 2.96Å; E197-K200 PolarHBondContact O-N 3.48Å; K200-K202 PolarHBondContact O-N 3.31Å; K200-S203 WeakPolarHBondContact O-CB 3.49Å; K200-S203 PolarHBondContact O-N 2.84Å; K200-S203 VanDerWaalsContact O-N 3.16Å; K200-D204 PolarHBondContact O-N 3.3Å
201	C	54.9	Low	65.4	Low	68 Å²	68	103 Å²	103	46%	0.459	51%	0.511	S	S	.	.	H	α-helix	trans	-62.7	-40.1	177.5	-166.7	0	0	0	0	111.9	E197 I198 S203 D204 I205	E197-C201 VanDerWaalsContact O-CB 3.29Å; E197-C201 WeakPolarHBondContact O-CB 3.32Å; E197-C201 PolarHBondContact O-N 2.8Å; I198-C201 PolarHBondContact O-N 3.07Å; C201-S203 PolarHBondContact O-N 3.37Å; C201-D204 PolarHBondContact O-N 3.19Å; C201-I205 WeakPolarHBondContact O-CB 3.39Å; C201-I205 WeakPolarHBondContact O-CD1 3.42Å; C201-I205 WeakPolarHBondContact O-CG1 3.48Å; C201-I205 PolarHBondContact O-N 3.44Å
202	K	61.5	Low	65.4	Low	112 Å²	112	104.9 Å²	104.9	49%	0.487	52%	0.523	S	S	.	.	H	α-helix	trans	-62.4	-41.3	172.8	-76.5	176.5	-169.5	166.4	0	112.5	I198 E199 K200 I205 K206	I198-K202 HydrophobicContact CG2-CD 4.38Å; I198-K202 WeakPolarHBondContact O-CB 3.38Å; I198-K202 WeakPolarHBondContact O-CG 3.43Å; I198-K202 PolarHBondContact O-N 3.48Å; E199-K202 PolarHBondContact O-N 3.42Å; E199-K202 WeakPolarHBondContact OE1-CD 3.35Å; E199-K202 IonicContact OE1-NZ 3.7Å; E199-K202 PolarHBondContact OE1-NZ 3.09Å; K200-K202 PolarHBondContact O-N 3.31Å; K202-I205 PolarHBondContact O-N 3.1Å; K202-K206 WeakPolarHBondContact O-CB 3.37Å; K202-K206 PolarHBondContact O-N 3.21Å
203	S	72	Confident	65.4	Low	71 Å²	71	106.3 Å²	106.3	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-63.3	-44.2	175.5	179.9	0	0	0	0	111.4	E199 K200 C201 K206 K207	E199-S203 WeakPolarHBondContact O-CB 3.21Å; E199-S203 PolarHBondContact O-N 3.31Å; K200-S203 WeakPolarHBondContact O-CB 3.49Å; K200-S203 PolarHBondContact O-N 2.84Å; K200-S203 VanDerWaalsContact O-N 3.16Å; C201-S203 PolarHBondContact O-N 3.37Å; S203-K206 WeakPolarHBondContact O-CB 3.47Å; S203-K206 PolarHBondContact O-N 3.01Å; S203-K207 PolarHBondContact O-N 3.29Å
204	D	66.6	Low	65.6	Low	78 Å²	78	103.8 Å²	103.8	42%	0.417	53%	0.527	S	S	.	.	H	α-helix	trans	-65.5	-41.7	177.7	-68.7	-22.1	0	0	0	111.5	K200 C201 K206 K207 M208	K200-D204 PolarHBondContact O-N 3.3Å; C201-D204 PolarHBondContact O-N 3.19Å; D204-K206 VanDerWaalsContact C-N 3.32Å; D204-K206 PolarHBondContact O-N 2.89Å; D204-K207 PolarHBondContact O-N 2.97Å; D204-M208 WeakPolarHBondContact O-CG 3.47Å; D204-M208 PolarHBondContact O-N 2.94Å
205	I	65.9	Low	65.3	Low	71 Å²	71	108.5 Å²	108.5	36%	0.364	54%	0.543	S	S	.	.	H	α-helix	trans	-60.6	-40.9	173	-71.4	165.2	0	0	0	111.3	C201 K202 M208 R209	C201-I205 WeakPolarHBondContact O-CB 3.39Å; C201-I205 WeakPolarHBondContact O-CD1 3.42Å; C201-I205 WeakPolarHBondContact O-CG1 3.48Å; C201-I205 PolarHBondContact O-N 3.44Å; K202-I205 PolarHBondContact O-N 3.1Å; I205-M208 HydrophobicContact CG1-CE 4.4Å; I205-R209 WeakPolarHBondContact O-CB 3.29Å; I205-R209 WeakPolarHBondContact O-CG 3.27Å; I205-R209 PolarHBondContact O-N 3.43Å
206	K	72.6	Confident	64.3	Low	132 Å²	132	109.2 Å²	109.2	57%	0.574	55%	0.551	S	S	*	*	H	α-helix	trans	-64	-45.8	177.3	-175.4	-177.8	174.6	-172.1	0	111	K202 S203 D204 R209 E210	K202-K206 WeakPolarHBondContact O-CB 3.37Å; K202-K206 PolarHBondContact O-N 3.21Å; S203-K206 WeakPolarHBondContact O-CB 3.47Å; S203-K206 PolarHBondContact O-N 3.01Å; D204-K206 VanDerWaalsContact C-N 3.32Å; D204-K206 PolarHBondContact O-N 2.89Å; K206-R209 PolarHBondContact O-N 3.28Å; K206-E210 WeakPolarHBondContact CE-OE1 3.23Å; K206-E210 WeakPolarHBondContact O-CG 3.18Å; K206-E210 PolarHBondContact O-N 3.35Å
207	K	69.7	Low	63.2	Low	128 Å²	128	109 Å²	109	56%	0.557	55%	0.554	S	S	*	*	H	α-helix	trans	-62.6	-43.4	177.9	-166.1	178	179.5	-176	0	111.9	S203 D204 R209 E210 E211	S203-K207 PolarHBondContact O-N 3.29Å; D204-K207 PolarHBondContact O-N 2.97Å; K207-R209 VanDerWaalsContact C-N 3.35Å; K207-R209 PolarHBondContact O-N 2.69Å; K207-E210 PolarHBondContact O-N 2.8Å; K207-E211 WeakPolarHBondContact O-CG 3.35Å; K207-E211 PolarHBondContact O-N 2.76Å
208	M	60.9	Low	62.5	Low	117 Å²	117	113 Å²	113	58%	0.576	56%	0.564	S	S	*	*	H	α-helix	trans	-62.9	-38.5	174.9	-72.8	-163.6	-62.7	0	0	112.7	D204 I205 E211 L212	D204-M208 WeakPolarHBondContact O-CG 3.47Å; D204-M208 PolarHBondContact O-N 2.94Å; I205-M208 HydrophobicContact CG1-CE 4.4Å; M208-E211 PolarHBondContact O-N 2.89Å; M208-L212 WeakPolarHBondContact O-CB 3.39Å; M208-L212 PolarHBondContact O-N 2.82Å
209	R	63	Low	61.7	Low	187 Å²	187	115 Å²	115	71%	0.706	58%	0.58	S	S	*	*	H	α-helix	trans	-65.9	-39	175.7	-78.8	178.8	175.9	179	1	112.5	I205 K206 K207 L212 A213	I205-R209 WeakPolarHBondContact O-CB 3.29Å; I205-R209 WeakPolarHBondContact O-CG 3.27Å; I205-R209 PolarHBondContact O-N 3.43Å; K206-R209 PolarHBondContact O-N 3.28Å; K207-R209 VanDerWaalsContact C-N 3.35Å; K207-R209 PolarHBondContact O-N 2.69Å; R209-L212 PolarHBondContact O-N 3.41Å; R209-A213 WeakPolarHBondContact O-CB 3.43Å; R209-A213 PolarHBondContact O-N 3.42Å
210	E	70.4	Confident	60	Low	114 Å²	114	115.4 Å²	115.4	53%	0.533	59%	0.594	S	S	.	*	H	α-helix	trans	-66.4	-40.6	176.1	-71.8	170.4	-176.2	0	0	111.3	K206 K207 A213 A214	K206-E210 WeakPolarHBondContact CE-OE1 3.23Å; K206-E210 WeakPolarHBondContact O-CG 3.18Å; K206-E210 PolarHBondContact O-N 3.35Å; K207-E210 PolarHBondContact O-N 2.8Å; E210-A213 PolarHBondContact O-N 2.64Å; E210-A214 WeakPolarHBondContact O-CB 3.28Å; E210-A214 PolarHBondContact O-N 3.03Å
211	E	65.4	Low	58.1	Low	99 Å²	99	114.2 Å²	114.2	46%	0.463	60%	0.603	S	S	.	*	H	α-helix	trans	-65.3	-38.5	173.4	-73.5	-178.7	-168.3	0	0	112.8	K207 M208 A214 R215	K207-E211 WeakPolarHBondContact O-CG 3.35Å; K207-E211 PolarHBondContact O-N 2.76Å; M208-E211 PolarHBondContact O-N 2.89Å; E211-A214 PolarHBondContact O-N 2.75Å; E211-R215 WeakPolarHBondContact O-CG 3.23Å; E211-R215 PolarHBondContact O-N 3.31Å; E211-R215 VanDerWaalsContact O-N 3.1Å
212	L	58.6	Low	57.3	Low	131 Å²	131	116.1 Å²	116.1	69%	0.686	61%	0.614	S	S	*	*	H	α-helix	trans	-67.1	-41.4	176.7	-139.9	101.8	0	0	0	111.7	M208 R209 R215 S216	M208-L212 WeakPolarHBondContact O-CB 3.39Å; M208-L212 PolarHBondContact O-N 2.82Å; R209-L212 PolarHBondContact O-N 3.41Å; L212-R215 PolarHBondContact O-N 3.44Å; L212-S216 PolarHBondContact O-N 2.92Å
213	A	63.3	Low	55.6	Low	66 Å²	66	116.5 Å²	116.5	55%	0.545	63%	0.63	S	S	.	*	H	α-helix	trans	-65.8	-38.8	175.8	0	0	0	0	0	111.7	R209 E210 R215 S216	R209-A213 WeakPolarHBondContact O-CB 3.43Å; R209-A213 PolarHBondContact O-N 3.42Å; E210-A213 PolarHBondContact O-N 2.64Å; A213-R215 VanDerWaalsContact C-N 3.32Å; A213-R215 PolarHBondContact O-N 3.04Å; A213-S216 PolarHBondContact O-N 3.48Å
214	A	63.5	Low	53.5	Low	62 Å²	62	122.1 Å²	122.1	51%	0.512	65%	0.645	S	S	.	*	H	α-helix	trans	-62.5	-38.1	174.6	0	0	0	0	0	112	E210 E211 S217	E210-A214 WeakPolarHBondContact O-CB 3.28Å; E210-A214 PolarHBondContact O-N 3.03Å; E211-A214 PolarHBondContact O-N 2.75Å; A214-S217 PolarHBondContact O-OG 3.27Å
215	R	61.4	Low	51.5	Low	190 Å²	190	128 Å²	128	72%	0.717	66%	0.663	S	S	*	*	H	α-helix	trans	-73.9	-29.5	177.9	-70.6	177.3	-173.6	-157.2	4.5	113.8	E211 L212 A213 S217 R218	E211-R215 WeakPolarHBondContact O-CG 3.23Å; E211-R215 PolarHBondContact O-N 3.31Å; E211-R215 VanDerWaalsContact O-N 3.1Å; L212-R215 PolarHBondContact O-N 3.44Å; A213-R215 VanDerWaalsContact C-N 3.32Å; A213-R215 PolarHBondContact O-N 3.04Å; R215-S217 VanDerWaalsContact C-N 3.26Å; R215-S217 PolarHBondContact O-N 2.86Å; R215-R218 PolarHBondContact O-N 2.62Å
216	S	48.8	Very low	49.7	Very low	101 Å²	101	128.5 Å²	128.5	71%	0.706	67%	0.673	S	S	*	*	H	α-helix	trans	-73.3	-15.7	-179.3	-157.8	0	0	0	0	113.8	L212 A213 R218	L212-S216 PolarHBondContact O-N 2.92Å; A213-S216 PolarHBondContact O-N 3.48Å; S216-R218 VanDerWaalsContact C-N 3.29Å; S216-R218 PolarHBondContact O-N 2.53Å
217	S	44.9	Very low	47.4	Very low	94 Å²	94	130.7 Å²	130.7	66%	0.657	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-2.5	176.4	67.8	0	0	0	0	115.1	A214 R215	A214-S217 PolarHBondContact O-OG 3.27Å; R215-S217 VanDerWaalsContact C-N 3.26Å; R215-S217 PolarHBondContact O-N 2.86Å
218	R	50.2	Low	45.4	Very low	216 Å²	216	131.5 Å²	131.5	82%	0.815	69%	0.692	S	S	*	*	S	Bend	trans	-128.2	70.6	-178.9	-67.3	-174.4	-174.8	178.7	2.1	111.7	R215 S216	R215-R218 PolarHBondContact O-N 2.62Å; S216-R218 VanDerWaalsContact C-N 3.29Å; S216-R218 PolarHBondContact O-N 2.53Å
219	T	42.2	Very low	44	Very low	133 Å²	133	132.4 Å²	132.4	82%	0.816	70%	0.699	S	S	*	*			trans	-166.3	106.4	152.3	4.5	0	0	0	0	110.2
220	S	34.6	Very low	42.3	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	70%	0.698	S	S	*	*			trans	-86.7	160.2	163.2	72.5	0	0	0	0	110.2
221	C	30.4	Very low	40.2	Very low	118 Å²	118	130.6 Å²	130.6	80%	0.797	70%	0.703	S	S	*	*			trans	104.1	155.1	150.7	-112.8	0	0	0	0	118.1
222	P	36.6	Very low	38.6	Very low	108 Å²	108	134.5 Å²	134.5	70%	0.701	72%	0.718	S	S	*	*				-143.9	148.2	-99.8	40.5	-20.6	0	0	0	116.7
223	C	27	Very low	37.1	Very low	121 Å²	121	137.6 Å²	137.6	82%	0.818	73%	0.726	S	S	*	*			trans	179.8	116	145.7	46.4	0	0	0	0	108.3
224	K	27.9	Very low	35.3	Very low	189 Å²	189	141.9 Å²	141.9	82%	0.822	74%	0.739	S	S	*	*				52	118.3	61	-83.4	-168.7	176.7	-176.9	0	111.6
225	Y	24.3	Very low	34	Very low	201 Å²	201	145.2 Å²	145.2	79%	0.788	75%	0.753	S	S	*	*			cis	-162.8	165	34.2	-137.7	-105.6	0	0	0	112.9
226	S	28.8	Very low	32.5	Very low	82 Å²	82	142 Å²	142	57%	0.573	76%	0.757	S	S	*	*			trans	-60.8	170.3	177.7	59.3	0	0	0	0	115.8
227	F	23.6	Very low	31.9	Very low	177 Å²	177	147.4 Å²	147.4	78%	0.776	76%	0.762	S	S	*	*				176.6	155.9	59.8	-157	-133.3	0	0	0	110.5
228	L	27.5	Very low	31.9	Very low	146 Å²	146	153 Å²	153	76%	0.764	77%	0.769	S	S	*	*			trans	103.8	115.7	153.5	-66.6	164.1	0	0	0	122.8
229	D	31.6	Very low	31.4	Very low	135 Å²	135	150 Å²	150	72%	0.722	77%	0.769	S	S	*	*			trans	-65.3	141	161.9	-170	10	0	0	0	112.5
230	N	27.6	Very low	31.3	Very low	128 Å²	128	147.7 Å²	147.7	68%	0.684	75%	0.754	S	S	*	*			trans	-172.7	118.1	131.5	-109.3	-10.6	0	0	0	114.4
231	H	25.8	Very low	31.6	Very low	135 Å²	135	146.1 Å²	146.1	63%	0.625	74%	0.742	S	S	*	*			trans	73.5	105.7	135.9	-70.4	-41.4	0	0	0	123.9
232	K	32.7	Very low	31.8	Very low	182 Å²	182	147.5 Å²	147.5	79%	0.791	75%	0.746	S	S	*	*				92	132.2	119.1	-80.7	-179	177.8	173.5	0	121
233	K	26.7	Very low	32.1	Very low	195 Å²	195	147.1 Å²	147.1	85%	0.848	73%	0.732	S	S	*	*			trans	87.6	128.6	165.3	-66.7	-179.9	178.2	-179	0	114.1
234	L	26.2	Very low	33.1	Very low	156 Å²	156	145.7 Å²	145.7	82%	0.817	72%	0.721	S	S	*	*			cis	-141.1	148.4	14.1	-73.1	98.2	0	0	0	109.7
235	T	34.9	Very low	34	Very low	132 Å²	132	145.4 Å²	145.4	81%	0.81	72%	0.72	S	S	*	*			trans	-112.8	122.3	162	47.2	0	0	0	0	110.4
236	P	31	Very low	35.8	Very low	122 Å²	122	139.1 Å²	139.1	79%	0.792	70%	0.695	S	S	*	*			trans	-99.2	120.8	132.5	-5.3	24.2	0	0	0	107.9
237	R	34.9	Very low	38	Very low	216 Å²	216	142 Å²	142	82%	0.815	70%	0.703	S	S	*	*			trans	-71.5	128.6	171.7	-88.3	-176.8	170.2	-175.6	-1.5	110.1
238	R	46.3	Very low	41	Very low	211 Å²	211	135.2 Å²	135.2	80%	0.796	68%	0.675	S	S	*	*				46.6	115.4	125.9	-64.3	-178.4	176.6	-179.6	-3.1	115.7
239	D	39.8	Very low	43.9	Very low	154 Å²	154	130.3 Å²	130.3	82%	0.824	65%	0.653	S	S	*	*				-144.7	117.8	56.4	-66.1	-49.4	0	0	0	112.4
240	V	40.1	Very low	46.6	Very low	83 Å²	83	128.6 Å²	128.6	50%	0.503	65%	0.649	S	S	.	*			trans	-114.8	121.7	155.5	179.9	0	0	0	0	104.4	T242	V240-T242 PolarHBondContact O-N 2.97Å
241	P	40.3	Very low	49.6	Very low	78 Å²	78	128.6 Å²	128.6	51%	0.506	65%	0.645	S	S	.	*			trans	-53.5	127.8	175.1	-22.5	31.7	0	0	0	109.4	Y243	P241-Y243 VanDerWaalsContact C-N 3.34Å; P241-Y243 HydrophobicContact CB-CD2 4.48Å; P241-Y243 HydrophobicContact CB-CE1 4.28Å; P241-Y243 HydrophobicContact CB-CE2 3.93Å; P241-Y243 HydrophobicContact CG-CE2 4.32Å; P241-Y243 WeakPolarHBondContact O-CD2 3.14Å; P241-Y243 WeakPolarHBondContact O-CE2 3.5Å; P241-Y243 PolarHBondContact O-N 3.22Å
242	T	33.8	Very low	52.8	Low	146 Å²	146	123 Å²	123	90%	0.896	62%	0.62	S	S	*	*			trans	-73.8	92.9	174.2	-35.8	0	0	0	0	107.7	V240	V240-T242 PolarHBondContact O-N 2.97Å
243	Y	43.4	Very low	55.7	Low	101 Å²	101	116 Å²	116	40%	0.396	59%	0.592	S	S	.	*			trans	-68.9	147.3	172.4	-61	-78.7	0	0	0	110	P241 K245 L300	P241-Y243 VanDerWaalsContact C-N 3.34Å; P241-Y243 HydrophobicContact CB-CD2 4.48Å; P241-Y243 HydrophobicContact CB-CE1 4.28Å; P241-Y243 HydrophobicContact CB-CE2 3.93Å; P241-Y243 HydrophobicContact CG-CE2 4.32Å; P241-Y243 WeakPolarHBondContact O-CD2 3.14Å; P241-Y243 WeakPolarHBondContact O-CE2 3.5Å; P241-Y243 PolarHBondContact O-N 3.22Å; Y243-K245 PolarHBondContact O-N 2.71Å; Y243-L300 HydrophobicContact CE2-CD1 4.16Å
244	P	48.7	Very low	58.9	Low	91 Å²	91	112.2 Å²	112.2	59%	0.591	58%	0.578	S	S	*	*			trans	-53.9	140.3	165.2	-8.8	19.9	0	0	0	108.2	Y246	P244-Y246 HydrophobicContact CG-CE2 4.45Å; P244-Y246 WeakPolarHBondContact O-CD2 3.4Å; P244-Y246 WeakPolarHBondContact O-CE2 3.48Å; P244-Y246 PolarHBondContact O-N 3.26Å
245	K	46.6	Very low	62.3	Low	182 Å²	182	106.5 Å²	106.5	79%	0.791	55%	0.553	S	S	*	*			trans	-62.5	106.1	171.7	-71.4	-176.7	176.6	-178.2	0	107.9	Y243 L247	Y243-K245 PolarHBondContact O-N 2.71Å; K245-L247 HydrophobicContact CB-CD2 4.26Å; K245-L247 HydrophobicContact CB-CG 3.95Å; K245-L247 HydrophobicContact CD-CD2 4.36Å; K245-L247 PolarHBondContact O-N 3.26Å
246	Y	62	Low	65.3	Low	69 Å²	69	100.2 Å²	100.2	27%	0.271	51%	0.514	S	S	.	.			trans	-74.7	84.4	164.2	-60.7	-89.8	0	0	0	106.5	P244 L248 N269 E270 S273	P244-Y246 HydrophobicContact CG-CE2 4.45Å; P244-Y246 WeakPolarHBondContact O-CD2 3.4Å; P244-Y246 WeakPolarHBondContact O-CE2 3.48Å; P244-Y246 PolarHBondContact O-N 3.26Å; Y246-L248 PolarHBondContact O-N 2.78Å; Y246-N269 HydrophobicContact CD1-CB 4.41Å; Y246-N269 HydrophobicContact CD2-CB 3.87Å; Y246-N269 HydrophobicContact CE1-CB 3.91Å; Y246-N269 HydrophobicContact CE2-CB 3.33Å; Y246-N269 HydrophobicContact CG-CB 4.4Å; Y246-N269 PolarHBondContact OH-ND2 2.92Å; Y246-E270 HydrophobicContact CD1-CG 3.55Å; Y246-E270 HydrophobicContact CE1-CG 4.03Å; Y246-E270 HydrophobicContact CG-CG 4.38Å; Y246-S273 WeakPolarHBondContact CB-OG 3.36Å
247	L	75.3	Confident	68.5	Low	142 Å²	142	97.6 Å²	97.6	74%	0.743	49%	0.489	S	S	*	.			trans	-79.3	106.5	173.8	-65.9	173.4	0	0	0	106.8	K245 S249	K245-L247 HydrophobicContact CB-CD2 4.26Å; K245-L247 HydrophobicContact CB-CG 3.95Å; K245-L247 HydrophobicContact CD-CD2 4.36Å; K245-L247 PolarHBondContact O-N 3.26Å; L247-S249 PolarHBondContact O-N 3.24Å
248	L	85.6	Confident	71.5	Confident	36 Å²	36	91.8 Å²	91.8	19%	0.188	47%	0.469	C	S	.	.			trans	-58.1	132.7	171.6	-55.2	178.9	0	0	0	108.7	Y246 T252 V253 C274 H277	Y246-L248 PolarHBondContact O-N 2.78Å; L248-T252 HydrophobicContact CB-CG2 4.2Å; L248-T252 HydrophobicContact CD2-CG2 4.09Å; L248-V253 HydrophobicContact CB-CG2 3.92Å; L248-V253 HydrophobicContact CD1-CG2 4.37Å; L248-C274 HydrophobicContact CD1-CB 4.47Å; L248-H277 HydrophobicContact CD1-CB 3.86Å
249	S	88.2	Confident	74	Confident	42 Å²	42	82.3 Å²	82.3	29%	0.294	44%	0.436	S	S	.	.			trans	-68.4	157.2	174.7	86.8	0	0	0	0	110.2	L247 E251 T252 V253	L247-S249 PolarHBondContact O-N 3.24Å; S249-E251 WeakPolarHBondContact CB-OE2 3.35Å; S249-E251 PolarHBondContact O-N 2.9Å; S249-E251 PolarHBondContact OG-N 3.34Å; S249-E251 PolarHBondContact OG-OE2 2.98Å; S249-T252 VanDerWaalsContact O-CB 3.31Å; S249-T252 WeakPolarHBondContact O-CB 3.29Å; S249-T252 PolarHBondContact O-N 3.35Å; S249-T252 PolarHBondContact OG-N 3.05Å; S249-T252 VanDerWaalsContact OG-N 3.1Å; S249-T252 PolarHBondContact OG-OG1 2.97Å; S249-V253 PolarHBondContact O-N 3.41Å
250	P	88.4	Confident	76.8	Confident	100 Å²	100	79.1 Å²	79.1	65%	0.649	42%	0.421	S	S	*	.	H	α-helix	trans	-54.2	-38.5	173.5	-25.9	35.6	0	0	0	112.9	T252 V253 E254	P250-T252 VanDerWaalsContact C-N 3.34Å; P250-T252 PolarHBondContact O-N 2.92Å; P250-V253 PolarHBondContact O-N 3.41Å; P250-E254 PolarHBondContact O-N 3.2Å
251	E	91	Very high	79.6	Confident	128 Å²	128	75.5 Å²	75.5	60%	0.598	40%	0.399	S	S	*	.	H	α-helix	trans	-65.5	-39.3	178	-55.2	71.8	-153.5	0	0	111.1	S249 E254 A255	S249-E251 WeakPolarHBondContact CB-OE2 3.35Å; S249-E251 PolarHBondContact O-N 2.9Å; S249-E251 PolarHBondContact OG-N 3.34Å; S249-E251 PolarHBondContact OG-OE2 2.98Å; E251-E254 PolarHBondContact O-N 3.18Å; E251-A255 VanDerWaalsContact O-CB 3.26Å; E251-A255 WeakPolarHBondContact O-CB 3.32Å; E251-A255 PolarHBondContact O-N 3.04Å
252	T	93	Very high	82.3	Confident	18 Å²	18	74.4 Å²	74.4	11%	0.11	39%	0.389	C	S	.	.	H	α-helix	trans	-61.8	-47.6	175	-55.4	0	0	0	0	110.7	L248 S249 P250 E254 A255 L256 F261 W266	L248-T252 HydrophobicContact CB-CG2 4.2Å; L248-T252 HydrophobicContact CD2-CG2 4.09Å; S249-T252 VanDerWaalsContact O-CB 3.31Å; S249-T252 WeakPolarHBondContact O-CB 3.29Å; S249-T252 PolarHBondContact O-N 3.35Å; S249-T252 PolarHBondContact OG-N 3.05Å; S249-T252 VanDerWaalsContact OG-N 3.1Å; S249-T252 PolarHBondContact OG-OG1 2.97Å; P250-T252 VanDerWaalsContact C-N 3.34Å; P250-T252 PolarHBondContact O-N 2.92Å; T252-E254 VanDerWaalsContact C-N 3.33Å; T252-E254 PolarHBondContact O-N 3.28Å; T252-A255 PolarHBondContact O-N 2.92Å; T252-L256 VanDerWaalsContact O-CB 3.31Å; T252-L256 WeakPolarHBondContact O-CB 3.4Å; T252-L256 PolarHBondContact O-N 3.18Å; T252-F261 HydrophobicContact CG2-CE2 4.23Å; T252-F261 HydrophobicContact CG2-CZ 4.46Å; T252-W266 HydrophobicContact CG2-CH2 3.23Å; T252-W266 HydrophobicContact CG2-CZ2 3.67Å; T252-W266 HydrophobicContact CG2-CZ3 3.93Å; T252-W266 WeakPolarHBondContact OG1-CH2 3.34Å
253	V	93.4	Very high	85.3	Confident	33 Å²	33	67.4 Å²	67.4	20%	0.2	35%	0.346	C	S	.	.	H	α-helix	trans	-61.2	-41.6	179.3	166.1	0	0	0	0	111.5	L248 S249 P250 H277	L248-V253 HydrophobicContact CB-CG2 3.92Å; L248-V253 HydrophobicContact CD1-CG2 4.37Å; S249-V253 PolarHBondContact O-N 3.41Å; P250-V253 PolarHBondContact O-N 3.41Å; V253-H277 WeakPolarHBondContact CG1-NE2 3.28Å
254	E	93.7	Very high	87.9	Confident	116 Å²	116	66.5 Å²	66.5	54%	0.542	34%	0.342	S	S	.	.	H	α-helix	trans	-68.5	-44.1	176.8	-168.2	-172.5	152.7	0	0	111.9	P250 E251 T252 L256 R257 K258	P250-E254 PolarHBondContact O-N 3.2Å; E251-E254 PolarHBondContact O-N 3.18Å; T252-E254 VanDerWaalsContact C-N 3.33Å; T252-E254 PolarHBondContact O-N 3.28Å; E254-L256 VanDerWaalsContact C-N 3.28Å; E254-L256 PolarHBondContact O-N 2.7Å; E254-R257 PolarHBondContact O-N 2.89Å; E254-K258 IonicContact OE1-NZ 3.51Å; E254-K258 PolarHBondContact OE1-NZ 2.89Å; E254-K258 VanDerWaalsContact OE1-NZ 3.17Å
255	A	97	Very high	90	Very high	36 Å²	36	68 Å²	68	30%	0.298	34%	0.344	S	S	.	.	H	α-helix	trans	-63.7	-34.8	178.4	0	0	0	0	0	112.1	E251 T252 R257 K258 F261	E251-A255 VanDerWaalsContact O-CB 3.26Å; E251-A255 WeakPolarHBondContact O-CB 3.32Å; E251-A255 PolarHBondContact O-N 3.04Å; T252-A255 PolarHBondContact O-N 2.92Å; A255-R257 PolarHBondContact O-N 2.86Å; A255-R257 VanDerWaalsContact O-N 3.08Å; A255-K258 PolarHBondContact O-N 3.35Å; A255-F261 HydrophobicContact CB-CD2 3.92Å; A255-F261 HydrophobicContact CB-CE2 4.37Å
256	L	98.4	Very high	92.3	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.7	-178.4	-168.7	66.8	0	0	0	113.2	T252 E254 K258 F261 C274 M278 F318 Q322 Y325	T252-L256 VanDerWaalsContact O-CB 3.31Å; T252-L256 WeakPolarHBondContact O-CB 3.4Å; T252-L256 PolarHBondContact O-N 3.18Å; E254-L256 VanDerWaalsContact C-N 3.28Å; E254-L256 PolarHBondContact O-N 2.7Å; L256-K258 VanDerWaalsContact C-N 3.28Å; L256-K258 PolarHBondContact O-N 2.84Å; L256-F261 HydrophobicContact CB-CD2 4.27Å; L256-F261 HydrophobicContact CB-CE2 4.12Å; L256-F261 HydrophobicContact CD1-CD1 4.13Å; L256-F261 HydrophobicContact CD1-CD2 4.14Å; L256-F261 HydrophobicContact CD1-CE1 3.83Å; L256-F261 HydrophobicContact CD1-CE2 3.83Å; L256-F261 HydrophobicContact CD1-CG 4.26Å; L256-F261 HydrophobicContact CD1-CZ 3.64Å; L256-C274 HydrophobicContact CD1-CB 3.97Å; L256-C274 HydrophobicContact CD2-CB 3.85Å; L256-M278 HydrophobicContact CD1-CE 3.61Å; L256-M278 HydrophobicContact CD2-CE 3.78Å; L256-M278 HydrophobicContact CD2-CG 4.19Å; L256-M278 HydrophobicContact CG-CE 3.72Å; L256-F318 HydrophobicContact CD1-CZ 4.03Å; L256-Q322 HydrophobicContact CD1-CG 3.67Å; L256-Q322 HydrophobicContact CG-CG 4.47Å; L256-Q322 PolarHBondContact O-NE2 3.15Å; L256-Y325 HydrophobicContact CB-CE1 4.4Å; L256-Y325 HydrophobicContact CD2-CE1 4.3Å; L256-Y325 HydrophobicContact CG-CD1 4.22Å; L256-Y325 HydrophobicContact CG-CE1 4.07Å; L256-Y325 VanDerWaalsContact O-CD1 3.3Å; L256-Y325 WeakPolarHBondContact O-CD1 3.43Å
257	R	98.6	Very high	93.8	Very high	68 Å²	68	63.6 Å²	63.6	26%	0.257	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.3	177.7	-61.3	172.9	-179.5	-107.6	-5.2	113.8	E254 A255 D281 Y325 S326 W329	E254-R257 PolarHBondContact O-N 2.89Å; A255-R257 PolarHBondContact O-N 2.86Å; A255-R257 VanDerWaalsContact O-N 3.08Å; R257-D281 IonicContact CZ-OD2 2.67Å; R257-D281 VanDerWaalsContact CZ-OD2 3.28Å; R257-D281 IonicContact NH1-OD2 3.17Å; R257-D281 IonicContact NH2-OD1 2.71Å; R257-D281 PolarHBondContact NH2-OD1 3.29Å; R257-D281 IonicContact NH2-OD2 2.73Å; R257-D281 PolarHBondContact NH2-OD2 3.09Å; R257-Y325 HydrophobicContact CB-CE1 4.31Å; R257-Y325 HydrophobicContact CG-CE1 3.67Å; R257-S326 WeakPolarHBondContact O-CA 3.42Å; R257-W329 HydrophobicContact CB-CG 4.22Å; R257-W329 HydrophobicContact CG-CG 4.31Å; R257-W329 VanDerWaalsContact NH1-CD2 3.28Å; R257-W329 VanDerWaalsContact NH1-CE3 3.34Å
258	K	98.4	Very high	94.7	Very high	93 Å²	93	59.2 Å²	59.2	40%	0.404	31%	0.308	S	S	.	.	S	Bend	trans	-113.6	145	-171.8	-59.7	172.7	-171.6	167.3	0	110.2	E254 A255 L256 T260 F261 Q322 S326	E254-K258 IonicContact OE1-NZ 3.51Å; E254-K258 PolarHBondContact OE1-NZ 2.89Å; E254-K258 VanDerWaalsContact OE1-NZ 3.17Å; A255-K258 PolarHBondContact O-N 3.35Å; L256-K258 VanDerWaalsContact C-N 3.28Å; L256-K258 PolarHBondContact O-N 2.84Å; K258-T260 PolarHBondContact O-N 3.49Å; K258-T260 VanDerWaalsContact O-N 3.12Å; K258-F261 WeakPolarHBondContact O-CB 3.45Å; K258-F261 PolarHBondContact O-N 3.39Å; K258-Q322 PolarHBondContact O-NE2 3.3Å; K258-S326 PolarHBondContact O-OG 3.29Å
259	P	98.3	Very high	94.9	Very high	13 Å²	13	59.5 Å²	59.5	8%	0.084	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.4	176.9	27.9	-34.1	0	0	0	113	F261 M323 R468 I538	P259-F261 PolarHBondContact O-N 3.11Å; P259-M323 HydrophobicContact CB-CE 3.76Å; P259-M323 HydrophobicContact CB-SD 3.83Å; P259-R468 PolarHBondContact O-NH1 3.4Å; P259-I538 HydrophobicContact CG-CG2 3.58Å
260	T	98.4	Very high	95.2	Very high	86 Å²	86	60 Å²	60	53%	0.528	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	1.9	175.4	60	0	0	0	0	114	K258 D262 P469	K258-T260 PolarHBondContact O-N 3.49Å; K258-T260 VanDerWaalsContact O-N 3.12Å; T260-D262 PolarHBondContact O-N 3.12Å; T260-P469 HydrophobicContact CG2-CG 4.12Å
261	F	98.4	Very high	95.7	Very high	7 Å²	7	55.4 Å²	55.4	3%	0.031	28%	0.277	C	S	.	.			trans	-60.2	121.7	177.7	-171.3	-99.5	0	0	0	110.6	T252 A255 L256 K258 P259 V263 W266 F318 Q322 R468	T252-F261 HydrophobicContact CG2-CE2 4.23Å; T252-F261 HydrophobicContact CG2-CZ 4.46Å; A255-F261 HydrophobicContact CB-CD2 3.92Å; A255-F261 HydrophobicContact CB-CE2 4.37Å; L256-F261 HydrophobicContact CB-CD2 4.27Å; L256-F261 HydrophobicContact CB-CE2 4.12Å; L256-F261 HydrophobicContact CD1-CD1 4.13Å; L256-F261 HydrophobicContact CD1-CD2 4.14Å; L256-F261 HydrophobicContact CD1-CE1 3.83Å; L256-F261 HydrophobicContact CD1-CE2 3.83Å; L256-F261 HydrophobicContact CD1-CG 4.26Å; L256-F261 HydrophobicContact CD1-CZ 3.64Å; K258-F261 WeakPolarHBondContact O-CB 3.45Å; K258-F261 PolarHBondContact O-N 3.39Å; P259-F261 PolarHBondContact O-N 3.11Å; F261-V263 HydrophobicContact CD1-CG1 4.21Å; F261-V263 PolarHBondContact O-N 3.25Å; F261-V263 VanDerWaalsContact O-N 3.14Å; F261-W266 AromaticContact CE1-CD1 3.55Å; F261-W266 AromaticContact CE1-CE2 3.89Å; F261-W266 HydrophobicContact CE1-CG 4.41Å; F261-W266 AromaticContact CE1-NE1 3.17Å; F261-W266 AromaticContact CE2-CZ2 3.85Å; F261-W266 HydrophobicContact CE2-CZ2 3.85Å; F261-W266 AromaticContact CE2-NE1 3.93Å; F261-W266 AromaticContact CZ-CD1 3.82Å; F261-W266 HydrophobicContact CZ-CD2 4.17Å; F261-W266 AromaticContact CZ-CE2 3.3Å; F261-W266 HydrophobicContact CZ-CG 4.44Å; F261-W266 AromaticContact CZ-CZ2 3.57Å; F261-W266 HydrophobicContact CZ-CZ2 3.57Å; F261-W266 AromaticContact CZ-NE1 3.07Å; F261-F318 HydrophobicContact CD1-CE1 4.19Å; F261-F318 HydrophobicContact CD1-CZ 4.41Å; F261-F318 AromaticContact CE1-CE1 3.77Å; F261-F318 HydrophobicContact CE1-CE1 3.77Å; F261-F318 AromaticContact CE1-CZ 3.78Å; F261-F318 HydrophobicContact CE1-CZ 3.78Å; F261-Q322 HydrophobicContact CD1-CG 4.22Å; F261-R468 PolarHBondContact O-NH1 2.77Å
262	D	98.2	Very high	96	Very high	55 Å²	55	50 Å²	50	29%	0.294	25%	0.252	S	S	.	.			trans	-75.6	104	177	-174.8	-8.2	0	0	0	109.6	T260 W264 L265 W266 V472	T260-D262 PolarHBondContact O-N 3.12Å; D262-W264 VanDerWaalsContact C-N 3.26Å; D262-W264 PolarHBondContact O-N 3.3Å; D262-W264 WeakPolarHBondContact OD1-CB 3.46Å; D262-W264 PolarHBondContact OD1-N 2.94Å; D262-L265 HydrophobicContact CB-CD1 3.9Å; D262-L265 HydrophobicContact CB-CG 4.04Å; D262-L265 WeakPolarHBondContact OD2-CG 3.37Å; D262-W266 PolarHBondContact O-NE1 3.04Å; D262-V472 HydrophobicContact CB-CG2 4.12Å
263	V	97.2	Very high	96.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-73.4	-16.8	-177.2	-59.5	0	0	0	0	112.6	F261 R315 F318 V472	F261-V263 HydrophobicContact CD1-CG1 4.21Å; F261-V263 PolarHBondContact O-N 3.25Å; F261-V263 VanDerWaalsContact O-N 3.14Å; V263-R315 PolarHBondContact O-NH1 2.86Å; V263-F318 HydrophobicContact CB-CD1 4.42Å; V263-F318 HydrophobicContact CB-CE1 4.43Å; V263-F318 HydrophobicContact CG1-CD1 4.28Å; V263-F318 HydrophobicContact CG1-CE1 4.13Å; V263-V472 HydrophobicContact CG2-CG1 3.81Å
264	W	96.6	Very high	96.4	Very high	81 Å²	81	48.5 Å²	48.5	31%	0.307	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-82.6	-17.7	-173.8	-64.7	109.1	0	0	0	113.9	D262 W266 V472 P475 W476	D262-W264 VanDerWaalsContact C-N 3.26Å; D262-W264 PolarHBondContact O-N 3.3Å; D262-W264 WeakPolarHBondContact OD1-CB 3.46Å; D262-W264 PolarHBondContact OD1-N 2.94Å; W264-W266 PolarHBondContact O-N 3.09Å; W264-V472 PolarHBondContact NE1-O 3.27Å; W264-P475 HydrophobicContact CH2-CB 4.37Å; W264-P475 HydrophobicContact CZ2-CB 3.7Å; W264-W476 AromaticContact CE2-NE1 3.78Å; W264-W476 AromaticContact CH2-CD2 3.99Å; W264-W476 HydrophobicContact CH2-CD2 3.99Å; W264-W476 AromaticContact CH2-CE2 3.78Å; W264-W476 HydrophobicContact CH2-CE3 4.33Å; W264-W476 HydrophobicContact CH2-CG 4.47Å; W264-W476 HydrophobicContact CH2-CH2 4.29Å; W264-W476 AromaticContact CH2-CZ2 3.95Å; W264-W476 HydrophobicContact CH2-CZ2 3.95Å; W264-W476 HydrophobicContact CH2-CZ3 4.47Å; W264-W476 AromaticContact CZ2-CD1 3.54Å; W264-W476 AromaticContact CZ2-CD2 3.7Å; W264-W476 HydrophobicContact CZ2-CD2 3.7Å; W264-W476 AromaticContact CZ2-CE2 3.45Å; W264-W476 VanDerWaalsContact CZ2-CE2 3.45Å; W264-W476 HydrophobicContact CZ2-CE3 4.46Å; W264-W476 AromaticContact CZ2-CG 3.76Å; W264-W476 HydrophobicContact CZ2-CG 3.76Å; W264-W476 HydrophobicContact CZ2-CZ2 4.04Å; W264-W476 AromaticContact CZ2-NE1 3.34Å; W264-W476 VanDerWaalsContact CZ2-NE1 3.34Å; W264-W476 AromaticContact NE1-NE1 4Å
265	L	94.4	Very high	96.6	Very high	122 Å²	122	43 Å²	43	64%	0.639	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-69.9	-18.4	-178.2	-60	177.9	0	0	0	114	D262	D262-L265 HydrophobicContact CB-CD1 3.9Å; D262-L265 HydrophobicContact CB-CG 4.04Å; D262-L265 WeakPolarHBondContact OD2-CG 3.37Å
266	W	93.1	Very high	96.7	Very high	36 Å²	36	42.8 Å²	42.8	14%	0.136	21%	0.211	C	C	.	.			trans	-107.1	134.8	-162	-50.5	93.3	0	0	0	112.6	T252 F261 D262 W264 E270 M271 R315	T252-W266 HydrophobicContact CG2-CH2 3.23Å; T252-W266 HydrophobicContact CG2-CZ2 3.67Å; T252-W266 HydrophobicContact CG2-CZ3 3.93Å; T252-W266 WeakPolarHBondContact OG1-CH2 3.34Å; F261-W266 AromaticContact CE1-CD1 3.55Å; F261-W266 AromaticContact CE1-CE2 3.89Å; F261-W266 HydrophobicContact CE1-CG 4.41Å; F261-W266 AromaticContact CE1-NE1 3.17Å; F261-W266 AromaticContact CE2-CZ2 3.85Å; F261-W266 HydrophobicContact CE2-CZ2 3.85Å; F261-W266 AromaticContact CE2-NE1 3.93Å; F261-W266 AromaticContact CZ-CD1 3.82Å; F261-W266 HydrophobicContact CZ-CD2 4.17Å; F261-W266 AromaticContact CZ-CE2 3.3Å; F261-W266 HydrophobicContact CZ-CG 4.44Å; F261-W266 AromaticContact CZ-CZ2 3.57Å; F261-W266 HydrophobicContact CZ-CZ2 3.57Å; F261-W266 AromaticContact CZ-NE1 3.07Å; D262-W266 PolarHBondContact O-NE1 3.04Å; W264-W266 PolarHBondContact O-N 3.09Å; W266-E270 HydrophobicContact CB-CB 4.13Å; W266-E270 HydrophobicContact CE3-CB 3.74Å; W266-E270 HydrophobicContact CE3-CG 4.26Å; W266-M271 HydrophobicContact CB-CG 3.79Å; W266-R315 PolarHBondContact O-NH1 3.12Å; W266-R315 PolarHBondContact O-NH2 2.83Å
267	E	93.9	Very high	96.7	Very high	123 Å²	123	44.7 Å²	44.7	58%	0.575	22%	0.22	S	C	*	.			trans	-76.4	164	168.2	-71.8	-170.5	176	0	0	111.5	N269 E270 M271	E267-N269 VanDerWaalsContact C-N 3.28Å; E267-N269 PolarHBondContact O-N 2.84Å; E267-N269 VanDerWaalsContact O-N 3.17Å; E267-E270 PolarHBondContact N-OE2 3.21Å; E267-E270 PolarHBondContact O-N 2.72Å; E267-M271 PolarHBondContact O-N 3.14Å
268	P	93.9	Very high	96.7	Very high	50 Å²	50	41.5 Å²	41.5	33%	0.325	21%	0.208	S	C	.	.	H	α-helix	trans	-49.4	-43.1	179.5	-31.7	37.1	0	0	0	114.9	E270 M271 L272	P268-E270 VanDerWaalsContact C-N 3.32Å; P268-E270 PolarHBondContact O-N 3.05Å; P268-M271 PolarHBondContact O-N 3.21Å; P268-L272 WeakPolarHBondContact O-CB 3.39Å; P268-L272 WeakPolarHBondContact O-CG 3.4Å; P268-L272 PolarHBondContact O-N 3.42Å
269	N	90.8	Very high	96.8	Very high	43 Å²	43	37 Å²	37	23%	0.23	19%	0.189	C	C	.	.	H	α-helix	trans	-67.8	-31.1	-178.8	-67.4	-23	0	0	0	113.4	Y246 E267 S273	Y246-N269 HydrophobicContact CD1-CB 4.41Å; Y246-N269 HydrophobicContact CD2-CB 3.87Å; Y246-N269 HydrophobicContact CE1-CB 3.91Å; Y246-N269 HydrophobicContact CE2-CB 3.33Å; Y246-N269 HydrophobicContact CG-CB 4.4Å; Y246-N269 PolarHBondContact OH-ND2 2.92Å; E267-N269 VanDerWaalsContact C-N 3.28Å; E267-N269 PolarHBondContact O-N 2.84Å; E267-N269 VanDerWaalsContact O-N 3.17Å; N269-S273 PolarHBondContact O-N 3.36Å; N269-S273 VanDerWaalsContact O-N 3.13Å; N269-S273 PolarHBondContact O-OG 2.81Å
270	E	94.3	Very high	96.8	Very high	51 Å²	51	40.3 Å²	40.3	24%	0.238	20%	0.202	C	C	.	.	H	α-helix	trans	-74.8	-42.3	175.9	-64.1	171	118.2	0	0	110.5	Y246 W266 E267 P268 L272 S273 C274	Y246-E270 HydrophobicContact CD1-CG 3.55Å; Y246-E270 HydrophobicContact CE1-CG 4.03Å; Y246-E270 HydrophobicContact CG-CG 4.38Å; W266-E270 HydrophobicContact CB-CB 4.13Å; W266-E270 HydrophobicContact CE3-CB 3.74Å; W266-E270 HydrophobicContact CE3-CG 4.26Å; E267-E270 PolarHBondContact N-OE2 3.21Å; E267-E270 PolarHBondContact O-N 2.72Å; P268-E270 VanDerWaalsContact C-N 3.32Å; P268-E270 PolarHBondContact O-N 3.05Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 3.35Å; E270-S273 WeakPolarHBondContact O-CB 3.49Å; E270-S273 PolarHBondContact O-N 3.29Å; E270-S273 VanDerWaalsContact O-N 3.08Å; E270-C274 PolarHBondContact O-N 3.13Å; E270-C274 PolarHBondContact O-SG 3.44Å
271	M	98	Very high	96.8	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.02	19%	0.191	C	C	.	.	H	α-helix	trans	-59.2	-43	172.3	-69.1	-169.8	-72.4	0	0	111.8	W266 E267 P268 S273 C274 L275 F314 R315 F318	W266-M271 HydrophobicContact CB-CG 3.79Å; E267-M271 PolarHBondContact O-N 3.14Å; P268-M271 PolarHBondContact O-N 3.21Å; M271-S273 VanDerWaalsContact C-N 3.28Å; M271-S273 PolarHBondContact O-N 3.3Å; M271-C274 WeakPolarHBondContact O-CB 3.27Å; M271-C274 PolarHBondContact O-N 3.09Å; M271-L275 WeakPolarHBondContact O-CG 3.43Å; M271-L275 PolarHBondContact O-N 3.31Å; M271-F314 HydrophobicContact CB-CE1 4.01Å; M271-F314 HydrophobicContact CE-CD1 3.94Å; M271-F314 HydrophobicContact CE-CE1 4.25Å; M271-R315 HydrophobicContact CE-CB 4.33Å; M271-R315 HydrophobicContact CE-CG 4.41Å; M271-R315 HydrophobicContact SD-CB 4.3Å; M271-R315 HydrophobicContact SD-CG 3.91Å; M271-R315 PolarHBondContact SD-NH1 3.3Å; M271-F318 HydrophobicContact CB-CD1 4.5Å; M271-F318 HydrophobicContact CB-CD2 3.76Å; M271-F318 HydrophobicContact CB-CE2 4.09Å; M271-F318 HydrophobicContact CB-CG 3.99Å; M271-F318 HydrophobicContact CG-CB 4.5Å; M271-F318 HydrophobicContact CG-CD1 3.91Å; M271-F318 HydrophobicContact CG-CD2 4.07Å; M271-F318 HydrophobicContact CG-CE1 4.12Å; M271-F318 HydrophobicContact CG-CE2 4.29Å; M271-F318 HydrophobicContact CG-CG 3.87Å; M271-F318 HydrophobicContact CG-CZ 4.31Å; M271-F318 HydrophobicContact SD-CB 3.8Å; M271-F318 HydrophobicContact SD-CD1 3.67Å; M271-F318 HydrophobicContact SD-CD2 4.43Å; M271-F318 HydrophobicContact SD-CE1 4.39Å; M271-F318 HydrophobicContact SD-CG 3.69Å
272	L	97.9	Very high	96.8	Very high	14 Å²	14	38.5 Å²	38.5	7%	0.073	19%	0.19	C	C	.	.	H	α-helix	trans	-58.6	-39.9	173.4	-74.3	166.6	0	0	0	111.9	P268 E270 L275 E276 L299 L300 H303 F314	P268-L272 WeakPolarHBondContact O-CB 3.39Å; P268-L272 WeakPolarHBondContact O-CG 3.4Å; P268-L272 PolarHBondContact O-N 3.42Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 3.35Å; L272-L275 PolarHBondContact O-N 3.44Å; L272-E276 WeakPolarHBondContact O-CB 3.39Å; L272-E276 PolarHBondContact O-N 3.32Å; L272-L299 HydrophobicContact CD2-CB 3.69Å; L272-L299 WeakPolarHBondContact CD2-O 3.39Å; L272-L300 HydrophobicContact CD1-CD2 3.7Å; L272-H303 HydrophobicContact CD2-CB 4.12Å; L272-F314 HydrophobicContact CD2-CE1 4.38Å; L272-F314 HydrophobicContact CD2-CE2 4.43Å; L272-F314 HydrophobicContact CD2-CZ 3.68Å; L272-F314 HydrophobicContact CG-CE1 4.23Å; L272-F314 HydrophobicContact CG-CZ 4.01Å
273	S	96.7	Very high	96.9	Very high	21 Å²	21	36.1 Å²	36.1	15%	0.147	18%	0.179	C	C	.	.	H	α-helix	trans	-69.5	-36.5	177.2	-57.5	0	0	0	0	112.1	Y246 N269 E270 M271 E276 H277	Y246-S273 WeakPolarHBondContact CB-OG 3.36Å; N269-S273 PolarHBondContact O-N 3.36Å; N269-S273 VanDerWaalsContact O-N 3.13Å; N269-S273 PolarHBondContact O-OG 2.81Å; E270-S273 WeakPolarHBondContact O-CB 3.49Å; E270-S273 PolarHBondContact O-N 3.29Å; E270-S273 VanDerWaalsContact O-N 3.08Å; M271-S273 VanDerWaalsContact C-N 3.28Å; M271-S273 PolarHBondContact O-N 3.3Å; S273-E276 PolarHBondContact O-N 2.89Å; S273-H277 WeakPolarHBondContact O-CB 3.34Å; S273-H277 PolarHBondContact O-N 3.09Å
274	C	98.4	Very high	96.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.2	-45.5	171.2	-71.3	0	0	0	0	111.6	L248 L256 E270 M271 H277 M278 F318	L248-C274 HydrophobicContact CD1-CB 4.47Å; L256-C274 HydrophobicContact CD1-CB 3.97Å; L256-C274 HydrophobicContact CD2-CB 3.85Å; E270-C274 PolarHBondContact O-N 3.13Å; E270-C274 PolarHBondContact O-SG 3.44Å; M271-C274 WeakPolarHBondContact O-CB 3.27Å; M271-C274 PolarHBondContact O-N 3.09Å; C274-H277 WeakPolarHBondContact O-CB 3.36Å; C274-H277 PolarHBondContact O-N 3.04Å; C274-M278 VanDerWaalsContact O-CG 3.31Å; C274-M278 WeakPolarHBondContact O-CG 3.35Å; C274-M278 PolarHBondContact O-N 3.17Å; C274-F318 HydrophobicContact CB-CE2 3.55Å; C274-F318 HydrophobicContact CB-CZ 3.89Å
275	L	98.8	Very high	97	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-42.9	176.1	-65.3	175	0	0	0	111.9	M271 L272 H277 M278 Y279 L299 F314 F318 A321 I350	M271-L275 WeakPolarHBondContact O-CG 3.43Å; M271-L275 PolarHBondContact O-N 3.31Å; L272-L275 PolarHBondContact O-N 3.44Å; L275-H277 VanDerWaalsContact C-N 3.31Å; L275-H277 PolarHBondContact O-N 3.35Å; L275-M278 HydrophobicContact CD2-CE 4.43Å; L275-M278 HydrophobicContact CD2-SD 4.03Å; L275-M278 PolarHBondContact O-N 2.97Å; L275-Y279 WeakPolarHBondContact O-CD2 3.43Å; L275-Y279 PolarHBondContact O-N 3.17Å; L275-L299 HydrophobicContact CB-CD1 4.05Å; L275-L299 HydrophobicContact CB-CD2 3.79Å; L275-L299 HydrophobicContact CD1-CD2 3.96Å; L275-F314 HydrophobicContact CD1-CE2 4.28Å; L275-F314 HydrophobicContact CD1-CZ 3.84Å; L275-F318 HydrophobicContact CD1-CD2 4.38Å; L275-F318 HydrophobicContact CD2-CD2 3.89Å; L275-F318 HydrophobicContact CD2-CE2 4.3Å; L275-F318 HydrophobicContact CG-CD2 3.91Å; L275-F318 HydrophobicContact CG-CE2 4.31Å; L275-A321 HydrophobicContact CD2-CB 3.66Å; L275-I350 HydrophobicContact CD2-CD1 4.07Å; L275-I350 HydrophobicContact CD2-CG1 4.2Å
276	E	98.6	Very high	97.2	Very high	32 Å²	32	35.7 Å²	35.7	15%	0.15	17%	0.17	C	C	.	.	H	α-helix	trans	-57	-47.3	173.3	-179.4	-178.3	170.4	0	0	110.5	L272 S273 M278 Y279 H280 L295 R296 L299	L272-E276 WeakPolarHBondContact O-CB 3.39Å; L272-E276 PolarHBondContact O-N 3.32Å; S273-E276 PolarHBondContact O-N 2.89Å; E276-M278 PolarHBondContact O-N 3.44Å; E276-Y279 PolarHBondContact O-N 3.25Å; E276-H280 PolarHBondContact O-CD2 3Å; E276-H280 PolarHBondContact O-N 3Å; E276-L295 HydrophobicContact CG-CD2 4.05Å; E276-R296 IonicContact OE1-CZ 3.55Å; E276-R296 IonicContact OE1-NE 3.74Å; E276-R296 PolarHBondContact OE1-NE 3.37Å; E276-R296 IonicContact OE1-NH2 2.7Å; E276-R296 PolarHBondContact OE1-NH2 2.93Å; E276-R296 VanDerWaalsContact OE2-CG 3.27Å; E276-R296 WeakPolarHBondContact OE2-CG 3.49Å; E276-R296 IonicContact OE2-CZ 3.16Å; E276-R296 IonicContact OE2-NE 3.62Å; E276-R296 PolarHBondContact OE2-NE 3.22Å; E276-R296 IonicContact OE2-NH2 3.76Å; E276-L299 HydrophobicContact CB-CD1 3.95Å
277	H	98.5	Very high	97.5	Very high	40 Å²	40	37.2 Å²	37.2	19%	0.185	18%	0.181	C	C	.	.	H	α-helix	trans	-58.1	-45.7	177.9	172	76.1	0	0	0	112.1	L248 V253 S273 C274 L275 Y279 H280 D281	L248-H277 HydrophobicContact CD1-CB 3.86Å; V253-H277 WeakPolarHBondContact CG1-NE2 3.28Å; S273-H277 WeakPolarHBondContact O-CB 3.34Å; S273-H277 PolarHBondContact O-N 3.09Å; C274-H277 WeakPolarHBondContact O-CB 3.36Å; C274-H277 PolarHBondContact O-N 3.04Å; L275-H277 VanDerWaalsContact C-N 3.31Å; L275-H277 PolarHBondContact O-N 3.35Å; H277-Y279 VanDerWaalsContact C-N 3.3Å; H277-Y279 PolarHBondContact O-N 3.1Å; H277-H280 PolarHBondContact O-N 2.8Å; H277-H280 VanDerWaalsContact O-N 3.09Å; H277-D281 IonicContact CE1-OD1 3.16Å; H277-D281 IonicContact NE2-OD1 2.78Å; H277-D281 WeakPolarHBondContact O-CB 3.44Å; H277-D281 PolarHBondContact O-N 3.06Å
278	M	98.9	Very high	97.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56.2	-42.9	179.7	-66.6	170.3	-166.4	0	0	112.2	L256 C274 L275 E276 H280 D281 L282 F318 Q322 Y325 M346	L256-M278 HydrophobicContact CD1-CE 3.61Å; L256-M278 HydrophobicContact CD2-CE 3.78Å; L256-M278 HydrophobicContact CD2-CG 4.19Å; L256-M278 HydrophobicContact CG-CE 3.72Å; C274-M278 VanDerWaalsContact O-CG 3.31Å; C274-M278 WeakPolarHBondContact O-CG 3.35Å; C274-M278 PolarHBondContact O-N 3.17Å; L275-M278 HydrophobicContact CD2-CE 4.43Å; L275-M278 HydrophobicContact CD2-SD 4.03Å; L275-M278 PolarHBondContact O-N 2.97Å; E276-M278 PolarHBondContact O-N 3.44Å; M278-H280 VanDerWaalsContact C-N 3.33Å; M278-H280 PolarHBondContact O-N 3.47Å; M278-D281 PolarHBondContact O-N 3.31Å; M278-L282 VanDerWaalsContact O-CB 3.27Å; M278-L282 WeakPolarHBondContact O-CB 3.43Å; M278-L282 WeakPolarHBondContact O-CG 3.23Å; M278-L282 PolarHBondContact O-N 3.28Å; M278-F318 HydrophobicContact CE-CE2 4.21Å; M278-Q322 HydrophobicContact CE-CB 3.82Å; M278-Q322 HydrophobicContact CE-CG 3.86Å; M278-Y325 HydrophobicContact CB-CD2 3.99Å; M278-Y325 HydrophobicContact CB-CE2 4.15Å; M278-Y325 HydrophobicContact CB-CG 4.37Å; M278-Y325 HydrophobicContact CE-CD1 4.18Å; M278-Y325 HydrophobicContact CE-CG 4.4Å; M278-Y325 HydrophobicContact CG-CD1 3.86Å; M278-Y325 HydrophobicContact CG-CD2 3.78Å; M278-Y325 HydrophobicContact CG-CE1 4.1Å; M278-Y325 HydrophobicContact CG-CE2 4.03Å; M278-Y325 HydrophobicContact CG-CG 3.68Å; M278-Y325 HydrophobicContact SD-CD1 4.29Å; M278-Y325 HydrophobicContact SD-CD2 4.49Å; M278-Y325 HydrophobicContact SD-CG 3.97Å; M278-M346 HydrophobicContact CB-CE 4.1Å; M278-M346 HydrophobicContact CG-CE 4.48Å; M278-M346 HydrophobicContact SD-CE 3.75Å
279	Y	98.9	Very high	98	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.1	-36.3	178.4	-88.2	-109	0	0	0	112.8	L275 E276 H277 L284 V285 I290 L295 W298 L343 M346 T347 I350 I400	L275-Y279 WeakPolarHBondContact O-CD2 3.43Å; L275-Y279 PolarHBondContact O-N 3.17Å; E276-Y279 PolarHBondContact O-N 3.25Å; H277-Y279 VanDerWaalsContact C-N 3.3Å; H277-Y279 PolarHBondContact O-N 3.1Å; Y279-L284 HydrophobicContact CD1-CB 4.15Å; Y279-L284 HydrophobicContact CD1-CD1 4Å; Y279-L284 HydrophobicContact CE1-CD1 4.2Å; Y279-L284 HydrophobicContact CG-CD1 4.31Å; Y279-L284 WeakPolarHBondContact O-CB 3.37Å; Y279-L284 PolarHBondContact O-N 3.01Å; Y279-V285 PolarHBondContact O-N 3.33Å; Y279-I290 HydrophobicContact CD1-CD1 3.98Å; Y279-I290 HydrophobicContact CE1-CD1 4.37Å; Y279-L295 HydrophobicContact CD1-CD1 3.78Å; Y279-L295 HydrophobicContact CD2-CD1 4.32Å; Y279-L295 HydrophobicContact CE1-CD1 4.22Å; Y279-L295 HydrophobicContact CG-CD1 3.83Å; Y279-L295 HydrophobicContact CG-CD2 4.3Å; Y279-W298 HydrophobicContact CE1-CZ3 4.34Å; Y279-W298 HydrophobicContact CE2-CH2 4.38Å; Y279-W298 HydrophobicContact CE2-CZ3 4.06Å; Y279-W298 AromaticContact CZ-CH2 3.89Å; Y279-W298 AromaticContact CZ-CZ3 3.75Å; Y279-W298 VanDerWaalsContact OH-CH2 3.24Å; Y279-W298 WeakPolarHBondContact OH-CH2 3.29Å; Y279-L343 HydrophobicContact CE1-CD1 3.93Å; Y279-M346 HydrophobicContact CE2-CB 4.4Å; Y279-T347 WeakPolarHBondContact OH-CA 3.37Å; Y279-T347 PolarHBondContact OH-OG1 3.15Å; Y279-T347 VanDerWaalsContact OH-OG1 3.09Å; Y279-I350 HydrophobicContact CE2-CD1 3.57Å; Y279-I400 HydrophobicContact CE1-CD1 4.12Å
280	H	98.8	Very high	98.3	Very high	81 Å²	81	32 Å²	32	38%	0.375	16%	0.159	S	C	.	.	H	α-helix	trans	-71	-47.2	174.9	-82.4	-78.1	0	0	0	111.9	E276 H277 M278 G283	E276-H280 PolarHBondContact O-CD2 3Å; E276-H280 PolarHBondContact O-N 3Å; H277-H280 PolarHBondContact O-N 2.8Å; H277-H280 VanDerWaalsContact O-N 3.09Å; M278-H280 VanDerWaalsContact C-N 3.33Å; M278-H280 PolarHBondContact O-N 3.47Å; H280-G283 PolarHBondContact O-N 3.48Å
281	D	98.8	Very high	98.5	Very high	54 Å²	54	33 Å²	33	29%	0.289	17%	0.166	S	C	.	.	H	α-helix	trans	-67.6	-39.5	-174	-166.6	77.4	0	0	0	112.4	R257 H277 M278 G283 Y325 W329	R257-D281 IonicContact CZ-OD2 2.67Å; R257-D281 VanDerWaalsContact CZ-OD2 3.28Å; R257-D281 IonicContact NH1-OD2 3.17Å; R257-D281 IonicContact NH2-OD1 2.71Å; R257-D281 PolarHBondContact NH2-OD1 3.29Å; R257-D281 IonicContact NH2-OD2 2.73Å; R257-D281 PolarHBondContact NH2-OD2 3.09Å; H277-D281 IonicContact CE1-OD1 3.16Å; H277-D281 IonicContact NE2-OD1 2.78Å; H277-D281 WeakPolarHBondContact O-CB 3.44Å; H277-D281 PolarHBondContact O-N 3.06Å; M278-D281 PolarHBondContact O-N 3.31Å; D281-G283 PolarHBondContact O-N 3.03Å; D281-G283 VanDerWaalsContact O-N 3.17Å; D281-Y325 PolarHBondContact OD2-OH 3.02Å; D281-W329 WeakPolarHBondContact OD2-CZ2 3.37Å
282	L	98.9	Very high	98.5	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-4	173	-66.9	176.3	0	0	0	113.6	M278 L284 Y325 V328 W329 Q334 Q339 I342 M346	M278-L282 VanDerWaalsContact O-CB 3.27Å; M278-L282 WeakPolarHBondContact O-CB 3.43Å; M278-L282 WeakPolarHBondContact O-CG 3.23Å; M278-L282 PolarHBondContact O-N 3.28Å; L282-L284 HydrophobicContact CB-CD1 4.29Å; L282-L284 HydrophobicContact CB-CG 3.89Å; L282-L284 HydrophobicContact CD1-CD1 4.21Å; L282-L284 PolarHBondContact O-N 3.37Å; L282-Y325 HydrophobicContact CD1-CD2 3.93Å; L282-Y325 HydrophobicContact CD1-CE2 4.32Å; L282-Y325 HydrophobicContact CD2-CD2 3.99Å; L282-Y325 HydrophobicContact CD2-CE2 3.86Å; L282-Y325 HydrophobicContact CG-CD2 3.94Å; L282-Y325 HydrophobicContact CG-CE2 3.82Å; L282-V328 HydrophobicContact CD2-CB 4.43Å; L282-V328 HydrophobicContact CD2-CG1 3.66Å; L282-W329 HydrophobicContact CD2-CZ2 4.13Å; L282-Q334 PolarHBondContact O-NE2 3.25Å; L282-Q339 PolarHBondContact O-NE2 3.37Å; L282-I342 HydrophobicContact CD1-CG2 3.93Å; L282-M346 HydrophobicContact CD1-CE 4.41Å; L282-M346 HydrophobicContact CD1-CG 3.64Å; L282-M346 HydrophobicContact CD1-SD 3.99Å
283	G	98.8	Very high	98.4	Very high	5 Å²	5	37.9 Å²	37.9	5%	0.052	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	4.7	-178.5	0	0	0	0	0	114.7	H280 D281 V285 R286 D287	H280-G283 PolarHBondContact O-N 3.48Å; D281-G283 PolarHBondContact O-N 3.03Å; D281-G283 VanDerWaalsContact O-N 3.17Å; G283-V285 VanDerWaalsContact C-N 3.31Å; G283-V285 PolarHBondContact O-N 3.34Å; G283-R286 WeakPolarHBondContact O-CB 3.38Å; G283-R286 PolarHBondContact O-N 2.93Å; G283-R286 VanDerWaalsContact O-N 3.09Å; G283-D287 VanDerWaalsContact O-CG 3.28Å; G283-D287 PolarHBondContact O-N 2.85Å
284	L	98.9	Very high	98.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-39.8	-177.3	-56.4	-179.9	0	0	0	111.9	Y279 L282 R286 F288 I290 I342 L343 M346	Y279-L284 HydrophobicContact CD1-CB 4.15Å; Y279-L284 HydrophobicContact CD1-CD1 4Å; Y279-L284 HydrophobicContact CE1-CD1 4.2Å; Y279-L284 HydrophobicContact CG-CD1 4.31Å; Y279-L284 WeakPolarHBondContact O-CB 3.37Å; Y279-L284 PolarHBondContact O-N 3.01Å; L282-L284 HydrophobicContact CB-CD1 4.29Å; L282-L284 HydrophobicContact CB-CG 3.89Å; L282-L284 HydrophobicContact CD1-CD1 4.21Å; L282-L284 PolarHBondContact O-N 3.37Å; L284-R286 VanDerWaalsContact C-N 3.29Å; L284-R286 PolarHBondContact O-N 3.34Å; L284-F288 HydrophobicContact CB-CD2 4.43Å; L284-F288 HydrophobicContact CD2-CD2 4.38Å; L284-F288 HydrophobicContact CD2-CE2 4.03Å; L284-F288 WeakPolarHBondContact O-CB 3.25Å; L284-F288 WeakPolarHBondContact O-CD2 3.39Å; L284-F288 PolarHBondContact O-N 3.25Å; L284-F288 VanDerWaalsContact O-N 3.07Å; L284-I290 HydrophobicContact CB-CD1 4.47Å; L284-I342 HydrophobicContact CD2-CB 4.27Å; L284-I342 HydrophobicContact CD2-CG2 4.03Å; L284-L343 HydrophobicContact CB-CD1 4.35Å; L284-L343 HydrophobicContact CD1-CD1 4.03Å; L284-L343 HydrophobicContact CD2-CB 4.1Å; L284-M346 HydrophobicContact CD1-CB 4.34Å; L284-M346 HydrophobicContact CD1-CG 4.32Å
285	V	98.8	Very high	98.5	Very high	15 Å²	15	37.4 Å²	37.4	9%	0.091	19%	0.193	C	C	.	.	H	α-helix	trans	-59.7	-42.7	175.5	175.7	0	0	0	0	111.7	Y279 G283 S289 I290 P292 L295	Y279-V285 PolarHBondContact O-N 3.33Å; G283-V285 VanDerWaalsContact C-N 3.31Å; G283-V285 PolarHBondContact O-N 3.34Å; V285-S289 CarbonylContact O-C 3.21Å; V285-S289 WeakPolarHBondContact O-CA 3.21Å; V285-S289 PolarHBondContact O-N 3.46Å; V285-I290 HydrophobicContact CG1-CB 4.42Å; V285-I290 WeakPolarHBondContact CG1-O 3.27Å; V285-I290 HydrophobicContact CG2-CB 4.42Å; V285-I290 PolarHBondContact O-N 3.18Å; V285-P292 HydrophobicContact CG1-CG 4.25Å; V285-L295 HydrophobicContact CG2-CD2 3.79Å
286	R	98.7	Very high	98.4	Very high	179 Å²	179	43.3 Å²	43.3	68%	0.675	22%	0.215	S	C	*	.	H	α-helix	trans	-69.7	-52.4	-178.9	179.6	-168.8	66.2	-144.5	-9	110.7	G283 L284 F288 S289	G283-R286 WeakPolarHBondContact O-CB 3.38Å; G283-R286 PolarHBondContact O-N 2.93Å; G283-R286 VanDerWaalsContact O-N 3.09Å; L284-R286 VanDerWaalsContact C-N 3.29Å; L284-R286 PolarHBondContact O-N 3.34Å; R286-F288 PolarHBondContact O-N 2.88Å; R286-S289 PolarHBondContact O-N 2.86Å
287	D	98.7	Very high	98.3	Very high	68 Å²	68	46 Å²	46	36%	0.364	22%	0.224	S	C	.	.	H	α-helix	trans	-74.7	-29.8	-167.9	-60	-18.5	0	0	0	112.2	G283 Q339	G283-D287 VanDerWaalsContact O-CG 3.28Å; G283-D287 PolarHBondContact O-N 2.85Å; D287-Q339 WeakPolarHBondContact OD2-CG 3.4Å; D287-Q339 PolarHBondContact OD2-NE2 2.76Å
288	F	98.8	Very high	98.3	Very high	28 Å²	28	44.1 Å²	44.1	12%	0.123	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	7.4	177.1	-61.6	-78.1	0	0	0	113.9	L284 R286 I290 Q339 L343 I404	L284-F288 HydrophobicContact CB-CD2 4.43Å; L284-F288 HydrophobicContact CD2-CD2 4.38Å; L284-F288 HydrophobicContact CD2-CE2 4.03Å; L284-F288 WeakPolarHBondContact O-CB 3.25Å; L284-F288 WeakPolarHBondContact O-CD2 3.39Å; L284-F288 PolarHBondContact O-N 3.25Å; L284-F288 VanDerWaalsContact O-N 3.07Å; R286-F288 PolarHBondContact O-N 2.88Å; F288-I290 HydrophobicContact CB-CD1 4.39Å; F288-I290 HydrophobicContact CB-CG1 3.95Å; F288-I290 PolarHBondContact O-N 2.98Å; F288-Q339 HydrophobicContact CE2-CB 3.99Å; F288-Q339 WeakPolarHBondContact CE2-O 3.49Å; F288-Q339 HydrophobicContact CZ-CB 4.11Å; F288-L343 HydrophobicContact CD1-CD2 3.88Å; F288-L343 HydrophobicContact CD2-CB 4.41Å; F288-L343 HydrophobicContact CD2-CD2 3.74Å; F288-L343 HydrophobicContact CD2-CG 4.48Å; F288-L343 HydrophobicContact CE1-CD2 4Å; F288-L343 HydrophobicContact CE2-CB 3.92Å; F288-L343 HydrophobicContact CE2-CD2 3.86Å; F288-L343 HydrophobicContact CE2-CG 4.43Å; F288-L343 HydrophobicContact CG-CD2 3.76Å; F288-L343 HydrophobicContact CZ-CB 4.26Å; F288-L343 HydrophobicContact CZ-CD2 4Å; F288-I404 HydrophobicContact CB-CD1 4.04Å; F288-I404 HydrophobicContact CB-CG1 4.24Å; F288-I404 HydrophobicContact CD1-CD1 3.74Å; F288-I404 HydrophobicContact CD1-CG1 4.2Å; F288-I404 HydrophobicContact CG-CD1 4.17Å
289	S	98.6	Very high	98.3	Very high	73 Å²	73	44.2 Å²	44.2	51%	0.51	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	40.1	-178.5	-60.5	0	0	0	0	112.8	V285 R286 N291 N403	V285-S289 CarbonylContact O-C 3.21Å; V285-S289 WeakPolarHBondContact O-CA 3.21Å; V285-S289 PolarHBondContact O-N 3.46Å; R286-S289 PolarHBondContact O-N 2.86Å; S289-N291 PolarHBondContact O-N 3.18Å; S289-N403 PolarHBondContact O-ND2 2.91Å
290	I	98.8	Very high	98.3	Very high	6 Å²	6	46 Å²	46	3%	0.031	23%	0.225	C	C	.	.			trans	-67	127.5	179.7	-53	179.3	0	0	0	107.8	Y279 L284 V285 F288 P292 L295 L343 I400	Y279-I290 HydrophobicContact CD1-CD1 3.98Å; Y279-I290 HydrophobicContact CE1-CD1 4.37Å; L284-I290 HydrophobicContact CB-CD1 4.47Å; V285-I290 HydrophobicContact CG1-CB 4.42Å; V285-I290 WeakPolarHBondContact CG1-O 3.27Å; V285-I290 HydrophobicContact CG2-CB 4.42Å; V285-I290 PolarHBondContact O-N 3.18Å; F288-I290 HydrophobicContact CB-CD1 4.39Å; F288-I290 HydrophobicContact CB-CG1 3.95Å; F288-I290 PolarHBondContact O-N 2.98Å; I290-P292 VanDerWaalsContact O-CD 3.28Å; I290-P292 WeakPolarHBondContact O-CD 3.32Å; I290-L295 HydrophobicContact CG2-CB 4.05Å; I290-L343 HydrophobicContact CD1-CD1 4.4Å; I290-I400 HydrophobicContact CG2-CB 3.8Å; I290-I400 HydrophobicContact CG2-CG2 3.89Å
291	N	98.4	Very high	98.2	Very high	72 Å²	72	43.6 Å²	43.6	39%	0.385	22%	0.217	S	C	.	.			trans	-69.2	121.2	174.6	178.8	-52.6	0	0	0	109.3	S289 V293 T294 L295	S289-N291 PolarHBondContact O-N 3.18Å; N291-V293 PolarHBondContact O-N 2.88Å; N291-V293 VanDerWaalsContact O-N 3.14Å; N291-V293 WeakPolarHBondContact OD1-CB 3.48Å; N291-V293 PolarHBondContact OD1-N 3.27Å; N291-T294 WeakPolarHBondContact CB-OG1 3.23Å; N291-T294 CarbonylContact O-C 3.53Å; N291-T294 WeakPolarHBondContact O-CA 3.21Å; N291-T294 WeakPolarHBondContact O-CB 3.45Å; N291-T294 PolarHBondContact O-N 2.93Å; N291-T294 PolarHBondContact OD1-N 3.4Å; N291-L295 PolarHBondContact O-N 2.96Å
292	P	96.9	Very high	98.2	Very high	54 Å²	54	41 Å²	41	35%	0.351	20%	0.204	S	C	.	.	H	α-helix	trans	-60.1	-29.8	-174.6	-26.5	35.4	0	0	0	114.4	V285 I290 R296	V285-P292 HydrophobicContact CG1-CG 4.25Å; I290-P292 VanDerWaalsContact O-CD 3.28Å; I290-P292 WeakPolarHBondContact O-CD 3.32Å; P292-R296 PolarHBondContact O-N 2.99Å
293	V	96.4	Very high	98.2	Very high	65 Å²	65	43.3 Å²	43.3	39%	0.394	21%	0.214	S	C	.	.	H	α-helix	trans	-73.1	-34.9	175.5	-177.2	0	0	0	0	110.9	N291 R296 R297	N291-V293 PolarHBondContact O-N 2.88Å; N291-V293 VanDerWaalsContact O-N 3.14Å; N291-V293 WeakPolarHBondContact OD1-CB 3.48Å; N291-V293 PolarHBondContact OD1-N 3.27Å; V293-R296 PolarHBondContact O-N 3.42Å; V293-R297 PolarHBondContact O-N 3.34Å; V293-R297 VanDerWaalsContact O-N 3.09Å
294	T	97.4	Very high	98.2	Very high	12 Å²	12	48.7 Å²	48.7	7%	0.074	24%	0.242	C	C	.	.	H	α-helix	trans	-70.3	-38.1	176	-54.6	0	0	0	0	110.6	N291 R296 R297 W298 N399 I400	N291-T294 WeakPolarHBondContact CB-OG1 3.23Å; N291-T294 CarbonylContact O-C 3.53Å; N291-T294 WeakPolarHBondContact O-CA 3.21Å; N291-T294 WeakPolarHBondContact O-CB 3.45Å; N291-T294 PolarHBondContact O-N 2.93Å; N291-T294 PolarHBondContact OD1-N 3.4Å; T294-R296 PolarHBondContact O-N 2.91Å; T294-R297 PolarHBondContact O-N 3.32Å; T294-W298 VanDerWaalsContact O-CB 3.29Å; T294-W298 WeakPolarHBondContact O-CB 3.21Å; T294-W298 PolarHBondContact O-N 2.93Å; T294-N399 WeakPolarHBondContact CG2-O 3.43Å; T294-I400 HydrophobicContact CG2-CG2 4.39Å
295	L	98.7	Very high	98.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-55.9	-48.7	171.3	178.4	64.5	0	0	0	111.8	E276 Y279 V285 I290 N291 R297 W298 L299 I400	E276-L295 HydrophobicContact CG-CD2 4.05Å; Y279-L295 HydrophobicContact CD1-CD1 3.78Å; Y279-L295 HydrophobicContact CD2-CD1 4.32Å; Y279-L295 HydrophobicContact CE1-CD1 4.22Å; Y279-L295 HydrophobicContact CG-CD1 3.83Å; Y279-L295 HydrophobicContact CG-CD2 4.3Å; V285-L295 HydrophobicContact CG2-CD2 3.79Å; I290-L295 HydrophobicContact CG2-CB 4.05Å; N291-L295 PolarHBondContact O-N 2.96Å; L295-R297 PolarHBondContact O-N 3.32Å; L295-W298 HydrophobicContact CD1-CE3 3.88Å; L295-W298 HydrophobicContact CD1-CZ3 4.11Å; L295-W298 PolarHBondContact O-N 3.07Å; L295-L299 HydrophobicContact CD1-CD1 4.31Å; L295-L299 HydrophobicContact CD1-CG 4.43Å; L295-L299 HydrophobicContact CG-CD1 4.23Å; L295-L299 WeakPolarHBondContact O-CG 3.27Å; L295-L299 PolarHBondContact O-N 2.91Å; L295-I400 HydrophobicContact CB-CG2 4.4Å; L295-I400 HydrophobicContact CD1-CG2 4.25Å
296	R	97.4	Very high	98.2	Very high	123 Å²	123	50.2 Å²	50.2	46%	0.464	25%	0.249	S	C	.	.	H	α-helix	trans	-61.3	-44.5	176.5	-71	-177.1	-170.3	134.1	14.3	113	E276 P292 V293 T294 L299 L300	E276-R296 IonicContact OE1-CZ 3.55Å; E276-R296 IonicContact OE1-NE 3.74Å; E276-R296 PolarHBondContact OE1-NE 3.37Å; E276-R296 IonicContact OE1-NH2 2.7Å; E276-R296 PolarHBondContact OE1-NH2 2.93Å; E276-R296 VanDerWaalsContact OE2-CG 3.27Å; E276-R296 WeakPolarHBondContact OE2-CG 3.49Å; E276-R296 IonicContact OE2-CZ 3.16Å; E276-R296 IonicContact OE2-NE 3.62Å; E276-R296 PolarHBondContact OE2-NE 3.22Å; E276-R296 IonicContact OE2-NH2 3.76Å; P292-R296 PolarHBondContact O-N 2.99Å; V293-R296 PolarHBondContact O-N 3.42Å; T294-R296 PolarHBondContact O-N 2.91Å; R296-L299 PolarHBondContact O-N 3.27Å; R296-L300 WeakPolarHBondContact O-CB 3.49Å; R296-L300 WeakPolarHBondContact O-CG 3.43Å; R296-L300 PolarHBondContact O-N 3.19Å
297	R	96.6	Very high	98.1	Very high	89 Å²	89	46.7 Å²	46.7	34%	0.336	24%	0.235	S	C	.	.	H	α-helix	trans	-64.7	-41.6	178.6	-79.9	-168.7	-77.8	-134.5	-1.7	112.2	V293 T294 L295 L300 C301 E397	V293-R297 PolarHBondContact O-N 3.34Å; V293-R297 VanDerWaalsContact O-N 3.09Å; T294-R297 PolarHBondContact O-N 3.32Å; L295-R297 PolarHBondContact O-N 3.32Å; R297-L300 PolarHBondContact O-N 3.05Å; R297-C301 WeakPolarHBondContact O-CB 3.43Å; R297-C301 PolarHBondContact O-N 3.41Å; R297-E397 WeakPolarHBondContact CB-O 3.45Å; R297-E397 PolarHBondContact NE-O 2.98Å
298	W	98.9	Very high	98.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-49.8	173.7	172.9	71.5	0	0	0	111.6	Y279 T294 L295 L300 C301 V302 T347 I350 C398 I400	Y279-W298 HydrophobicContact CE1-CZ3 4.34Å; Y279-W298 HydrophobicContact CE2-CH2 4.38Å; Y279-W298 HydrophobicContact CE2-CZ3 4.06Å; Y279-W298 AromaticContact CZ-CH2 3.89Å; Y279-W298 AromaticContact CZ-CZ3 3.75Å; Y279-W298 VanDerWaalsContact OH-CH2 3.24Å; Y279-W298 WeakPolarHBondContact OH-CH2 3.29Å; T294-W298 VanDerWaalsContact O-CB 3.29Å; T294-W298 WeakPolarHBondContact O-CB 3.21Å; T294-W298 PolarHBondContact O-N 2.93Å; L295-W298 HydrophobicContact CD1-CE3 3.88Å; L295-W298 HydrophobicContact CD1-CZ3 4.11Å; L295-W298 PolarHBondContact O-N 3.07Å; W298-L300 VanDerWaalsContact C-N 3.34Å; W298-L300 PolarHBondContact O-N 2.98Å; W298-C301 PolarHBondContact O-N 2.8Å; W298-V302 HydrophobicContact CD2-CG2 4.27Å; W298-V302 HydrophobicContact CZ2-CG2 4.03Å; W298-V302 WeakPolarHBondContact O-CB 3.28Å; W298-V302 WeakPolarHBondContact O-CG2 3.43Å; W298-V302 PolarHBondContact O-N 2.82Å; W298-T347 HydrophobicContact CH2-CG2 4.04Å; W298-T347 HydrophobicContact CZ2-CG2 3.68Å; W298-I350 HydrophobicContact CH2-CB 4.18Å; W298-I350 HydrophobicContact CH2-CD1 3.83Å; W298-I350 HydrophobicContact CH2-CG2 3.75Å; W298-I350 HydrophobicContact CZ2-CG2 4.1Å; W298-I350 HydrophobicContact CZ3-CD1 4.2Å; W298-C398 HydrophobicContact CB-CB 4.38Å; W298-C398 WeakPolarHBondContact CB-O 3.38Å; W298-C398 VanDerWaalsContact CD1-O 3.3Å; W298-I400 HydrophobicContact CB-CG2 3.63Å; W298-I400 HydrophobicContact CD2-CD1 3.92Å; W298-I400 HydrophobicContact CD2-CG1 4.27Å; W298-I400 HydrophobicContact CD2-CG2 4.02Å; W298-I400 HydrophobicContact CE3-CD1 3.98Å; W298-I400 HydrophobicContact CE3-CG2 4.13Å; W298-I400 HydrophobicContact CG-CG1 4.37Å; W298-I400 HydrophobicContact CG-CG2 3.8Å; W298-I400 HydrophobicContact CH2-CD1 4.19Å; W298-I400 HydrophobicContact CZ2-CD1 4.13Å; W298-I400 HydrophobicContact CZ3-CD1 4.11Å
299	L	98.8	Very high	98.1	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-59.9	-41.8	177.6	-73.7	172.2	0	0	0	112.4	L272 L275 E276 L295 R296 V302 H303 I350	L272-L299 HydrophobicContact CD2-CB 3.69Å; L272-L299 WeakPolarHBondContact CD2-O 3.39Å; L275-L299 HydrophobicContact CB-CD1 4.05Å; L275-L299 HydrophobicContact CB-CD2 3.79Å; L275-L299 HydrophobicContact CD1-CD2 3.96Å; E276-L299 HydrophobicContact CB-CD1 3.95Å; L295-L299 HydrophobicContact CD1-CD1 4.31Å; L295-L299 HydrophobicContact CD1-CG 4.43Å; L295-L299 HydrophobicContact CG-CD1 4.23Å; L295-L299 WeakPolarHBondContact O-CG 3.27Å; L295-L299 PolarHBondContact O-N 2.91Å; R296-L299 PolarHBondContact O-N 3.27Å; L299-V302 PolarHBondContact O-N 2.74Å; L299-H303 WeakPolarHBondContact O-CB 3.33Å; L299-H303 PolarHBondContact O-N 3.35Å; L299-I350 HydrophobicContact CD2-CD1 4.37Å
300	L	97.9	Very high	98	Very high	37 Å²	37	49 Å²	49	19%	0.194	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-45.5	174.2	-75.7	165.9	0	0	0	111.8	Y243 L272 R296 R297 W298 V302 H303 D304	Y243-L300 HydrophobicContact CE2-CD1 4.16Å; L272-L300 HydrophobicContact CD1-CD2 3.7Å; R296-L300 WeakPolarHBondContact O-CB 3.49Å; R296-L300 WeakPolarHBondContact O-CG 3.43Å; R296-L300 PolarHBondContact O-N 3.19Å; R297-L300 PolarHBondContact O-N 3.05Å; W298-L300 VanDerWaalsContact C-N 3.34Å; W298-L300 PolarHBondContact O-N 2.98Å; L300-V302 VanDerWaalsContact C-N 3.34Å; L300-V302 PolarHBondContact O-N 3.23Å; L300-H303 WeakPolarHBondContact O-CB 3.43Å; L300-H303 PolarHBondContact O-N 2.95Å; L300-D304 WeakPolarHBondContact O-CB 3.29Å; L300-D304 VanDerWaalsContact O-CG 3.24Å; L300-D304 PolarHBondContact O-N 3.47Å
301	C	98.3	Very high	98.1	Very high	31 Å²	31	49.6 Å²	49.6	21%	0.209	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-38.7	178.4	-170	0	0	0	0	111.8	R297 W298 D304 N305 I392	R297-C301 WeakPolarHBondContact O-CB 3.43Å; R297-C301 PolarHBondContact O-N 3.41Å; W298-C301 PolarHBondContact O-N 2.8Å; C301-D304 PolarHBondContact O-N 2.82Å; C301-N305 PolarHBondContact O-N 2.8Å; C301-N305 PolarHBondContact O-ND2 3.3Å; C301-I392 HydrophobicContact CB-CG2 4.08Å
302	V	98.7	Very high	98.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.3	-52.2	171.6	164.7	0	0	0	0	110.3	W298 L299 L300 D304 N305 Y306 I350 L354 I392	W298-V302 HydrophobicContact CD2-CG2 4.27Å; W298-V302 HydrophobicContact CZ2-CG2 4.03Å; W298-V302 WeakPolarHBondContact O-CB 3.28Å; W298-V302 WeakPolarHBondContact O-CG2 3.43Å; W298-V302 PolarHBondContact O-N 2.82Å; L299-V302 PolarHBondContact O-N 2.74Å; L300-V302 VanDerWaalsContact C-N 3.34Å; L300-V302 PolarHBondContact O-N 3.23Å; V302-D304 VanDerWaalsContact C-N 3.3Å; V302-D304 PolarHBondContact O-N 3.43Å; V302-N305 CarbonylContact O-C 3.54Å; V302-N305 PolarHBondContact O-N 2.88Å; V302-Y306 HydrophobicContact CG1-CD2 4.08Å; V302-Y306 HydrophobicContact CG1-CE2 3.82Å; V302-Y306 WeakPolarHBondContact O-CD2 3.27Å; V302-Y306 PolarHBondContact O-N 3.49Å; V302-I350 HydrophobicContact CG1-CG2 3.64Å; V302-I350 HydrophobicContact CG2-CG2 4.49Å; V302-L354 HydrophobicContact CG1-CD2 4.11Å; V302-I392 HydrophobicContact CG2-CD1 4.38Å
303	H	98.6	Very high	98.2	Very high	50 Å²	50	46.3 Å²	46.3	23%	0.231	23%	0.225	C	C	.	.	H	α-helix	trans	-52.9	-47.7	176.4	162.7	-86.4	0	0	0	111.9	L272 L299 L300 N305 Y306 F314	L272-H303 HydrophobicContact CD2-CB 4.12Å; L299-H303 WeakPolarHBondContact O-CB 3.33Å; L299-H303 PolarHBondContact O-N 3.35Å; L300-H303 WeakPolarHBondContact O-CB 3.43Å; L300-H303 PolarHBondContact O-N 2.95Å; H303-N305 PolarHBondContact O-N 3.45Å; H303-Y306 PolarHBondContact O-N 2.69Å; H303-F314 HydrophobicContact CB-CD2 3.91Å; H303-F314 HydrophobicContact CB-CE1 4.48Å; H303-F314 HydrophobicContact CB-CE2 3.74Å; H303-F314 HydrophobicContact CB-CG 4.35Å; H303-F314 HydrophobicContact CB-CZ 4.04Å; H303-F314 AromaticContact CD2-CD1 3.52Å; H303-F314 AromaticContact CD2-CE1 3.85Å; H303-F314 AromaticContact CD2-CG 3.62Å
304	D	97.6	Very high	98.3	Very high	117 Å²	117	43.9 Å²	43.9	63%	0.626	21%	0.21	S	C	*	.	H	α-helix	trans	-66.6	-17.5	-178.5	-69.1	-6	0	0	0	113.4	L300 C301 V302	L300-D304 WeakPolarHBondContact O-CB 3.29Å; L300-D304 VanDerWaalsContact O-CG 3.24Å; L300-D304 PolarHBondContact O-N 3.47Å; C301-D304 PolarHBondContact O-N 2.82Å; V302-D304 VanDerWaalsContact C-N 3.3Å; V302-D304 PolarHBondContact O-N 3.43Å
305	N	98.6	Very high	98.4	Very high	34 Å²	34	45.6 Å²	45.6	18%	0.182	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	0.9	175.7	-76.3	-98.5	0	0	0	113.2	C301 V302 H303 L354 D355 V388 R391 I392	C301-N305 PolarHBondContact O-N 2.8Å; C301-N305 PolarHBondContact O-ND2 3.3Å; V302-N305 CarbonylContact O-C 3.54Å; V302-N305 PolarHBondContact O-N 2.88Å; H303-N305 PolarHBondContact O-N 3.45Å; N305-L354 HydrophobicContact CB-CD2 3.82Å; N305-D355 VanDerWaalsContact O-CA 3.29Å; N305-D355 WeakPolarHBondContact O-CA 3.25Å; N305-D355 PolarHBondContact O-N 2.91Å; N305-V388 HydrophobicContact CB-CG1 4.39Å; N305-R391 PolarHBondContact OD1-NH2 3.33Å; N305-I392 HydrophobicContact CB-CD1 4.02Å
306	Y	98.8	Very high	98.4	Very high	14 Å²	14	45.6 Å²	45.6	6%	0.055	22%	0.215	C	C	.	.	S	Bend	trans	-84.2	136.3	162.1	-88.3	-85.1	0	0	0	109.9	V302 H303 F314 C317 I350 D353 L354	V302-Y306 HydrophobicContact CG1-CD2 4.08Å; V302-Y306 HydrophobicContact CG1-CE2 3.82Å; V302-Y306 WeakPolarHBondContact O-CD2 3.27Å; V302-Y306 PolarHBondContact O-N 3.49Å; H303-Y306 PolarHBondContact O-N 2.69Å; Y306-F314 AromaticContact CD2-CD2 3.9Å; Y306-F314 HydrophobicContact CD2-CD2 3.9Å; Y306-F314 HydrophobicContact CG-CB 4.26Å; Y306-F314 HydrophobicContact CG-CD2 4.35Å; Y306-C317 HydrophobicContact CD1-CB 4.31Å; Y306-C317 HydrophobicContact CD2-CB 4.28Å; Y306-C317 HydrophobicContact CE1-CB 3.69Å; Y306-C317 HydrophobicContact CE2-CB 3.65Å; Y306-C317 VanDerWaalsContact CE2-SG 3.6Å; Y306-C317 WeakPolarHBondContact OH-CB 3.03Å; Y306-I350 WeakPolarHBondContact CE2-O 3.19Å; Y306-I350 PolarHBondContact OH-O 3.06Å; Y306-D353 VanDerWaalsContact CE1-C 3.5Å; Y306-D353 HydrophobicContact CE1-CB 3.69Å; Y306-D353 WeakPolarHBondContact CE1-O 3.46Å; Y306-D353 PolarHBondContact OH-N 3.43Å; Y306-L354 HydrophobicContact CD2-CD2 3.81Å; Y306-L354 HydrophobicContact CE2-CD2 3.65Å; Y306-L354 HydrophobicContact CE2-CG 3.94Å
307	R	97.9	Very high	98.4	Very high	105 Å²	105	39.8 Å²	39.8	40%	0.396	19%	0.193	S	C	.	.			trans	-85.3	161.2	178.2	-59.1	-164.8	-173.5	173.1	5.3	111.3	N309 N313 D355 H356	R307-N309 PolarHBondContact O-N 3.41Å; R307-N309 VanDerWaalsContact O-N 3.09Å; R307-N313 WeakPolarHBondContact O-CA 3.3Å; R307-N313 WeakPolarHBondContact O-CB 3.27Å; R307-D355 IonicContact CZ-OD1 3.28Å; R307-D355 IonicContact NE-OD1 2.67Å; R307-D355 PolarHBondContact NE-OD1 2.87Å; R307-D355 IonicContact NH2-OD1 3.39Å; R307-D355 PolarHBondContact NH2-OD1 3.05Å; R307-D355 IonicContact NH2-OD2 2.91Å; R307-D355 PolarHBondContact NH2-OD2 3.41Å; R307-H356 VanDerWaalsContact CD-O 3.32Å; R307-H356 WeakPolarHBondContact CD-O 3.37Å
308	N	97.9	Very high	98.5	Very high	168 Å²	168	35.5 Å²	35.5	90%	0.898	18%	0.177	S	C	*	.			trans	-85.5	55	175.3	-65.1	-42	0	0	0	111.4
309	N	98.1	Very high	98.6	Very high	23 Å²	23	35.5 Å²	35.5	12%	0.123	18%	0.177	C	C	.	.			trans	-78.2	158	171	-52.8	-44.7	0	0	0	110	R307 F311 H312 N313 H356 E483	R307-N309 PolarHBondContact O-N 3.41Å; R307-N309 VanDerWaalsContact O-N 3.09Å; N309-F311 PolarHBondContact O-N 3.11Å; N309-H312 PolarHBondContact ND2-O 3.49Å; N309-N313 WeakPolarHBondContact O-CB 3.36Å; N309-N313 PolarHBondContact O-ND2 3.27Å; N309-H356 PolarHBondContact ND2-O 2.87Å; N309-E483 VanDerWaalsContact CB-OE2 3.32Å; N309-E483 WeakPolarHBondContact CB-OE2 3.43Å
310	P	98.5	Very high	98.6	Very high	25 Å²	25	35.4 Å²	35.4	16%	0.162	18%	0.176	C	C	.	.	S	Bend	trans	-58.2	-45.3	175.5	-27.5	37.7	0	0	0	112.9	N313 C479 E482 E483 M486	P310-N313 PolarHBondContact O-ND2 3.39Å; P310-C479 WeakPolarHBondContact CB-O 3.44Å; P310-C479 VanDerWaalsContact O-CB 3.27Å; P310-C479 WeakPolarHBondContact O-CB 3.27Å; P310-E482 HydrophobicContact CB-CB 4.02Å; P310-E482 HydrophobicContact CB-CG 4.1Å; P310-E482 HydrophobicContact CG-CB 4.26Å; P310-E482 HydrophobicContact CG-CG 3.85Å; P310-E483 HydrophobicContact CB-CB 4.36Å; P310-E483 HydrophobicContact CG-CB 4.47Å; P310-M486 VanDerWaalsContact CD-CE 3.46Å; P310-M486 HydrophobicContact CG-CE 3.5Å; P310-M486 VanDerWaalsContact CG-CE 3.5Å
311	F	98.8	Very high	98.6	Very high	19 Å²	19	33.7 Å²	33.7	8%	0.083	17%	0.167	C	C	.	.	S	Bend	trans	-104.8	-62.2	-178.4	-172.8	-89.7	0	0	0	112.6	N309 N313 H316 N465 W476 C479 L480 E483	N309-F311 PolarHBondContact O-N 3.11Å; F311-N313 VanDerWaalsContact C-N 3.28Å; F311-N313 PolarHBondContact O-N 3.09Å; F311-N313 PolarHBondContact O-ND2 2.85Å; F311-H316 AromaticContact CE1-CE1 3.92Å; F311-H316 AromaticContact CE1-ND1 3.83Å; F311-H316 AromaticContact CZ-ND1 3.99Å; F311-H316 VanDerWaalsContact O-CB 3.27Å; F311-H316 WeakPolarHBondContact O-CB 3.07Å; F311-N465 WeakPolarHBondContact CE2-ND2 3.35Å; F311-W476 AromaticContact CD2-CE3 3.71Å; F311-W476 HydrophobicContact CD2-CE3 3.71Å; F311-W476 HydrophobicContact CD2-CZ3 4.23Å; F311-W476 HydrophobicContact CE2-CB 4.46Å; F311-W476 AromaticContact CE2-CE3 3.85Å; F311-W476 HydrophobicContact CE2-CE3 3.85Å; F311-W476 HydrophobicContact CG-CE3 4.5Å; F311-C479 HydrophobicContact CB-CB 4.38Å; F311-C479 HydrophobicContact CD2-CB 4.33Å; F311-L480 HydrophobicContact CD1-CD1 4.15Å; F311-L480 HydrophobicContact CD2-CB 3.6Å; F311-L480 HydrophobicContact CD2-CD1 3.93Å; F311-L480 HydrophobicContact CD2-CG 4.34Å; F311-L480 HydrophobicContact CE1-CD1 4.34Å; F311-L480 HydrophobicContact CE2-CB 3.98Å; F311-L480 HydrophobicContact CE2-CD1 4.11Å; F311-L480 HydrophobicContact CE2-CG 4.49Å; F311-L480 HydrophobicContact CG-CB 4.28Å; F311-L480 HydrophobicContact CG-CD1 3.94Å; F311-L480 HydrophobicContact CZ-CD1 4.32Å; F311-E483 WeakPolarHBondContact CA-OE2 3.29Å; F311-E483 HydrophobicContact CB-CB 4.33Å; F311-E483 WeakPolarHBondContact CB-OE2 3.31Å; F311-E483 PolarHBondContact N-OE2 3.39Å
312	H	98.9	Very high	98.6	Very high	30 Å²	30	32.2 Å²	32.2	14%	0.139	16%	0.157	C	C	.	.	S	Bend	trans	-79.4	75.5	-173.3	-59.4	96.3	0	0	0	111.1	N309 D353 H356 E483	N309-H312 PolarHBondContact ND2-O 3.49Å; H312-D353 IonicContact CD2-OD2 2.7Å; H312-D353 PolarHBondContact CD2-OD2 3.33Å; H312-D353 VanDerWaalsContact CD2-OD2 3.3Å; H312-H356 HydrophobicContact CB-CB 3.84Å; H312-H356 WeakPolarHBondContact CB-ND1 3.47Å; H312-H356 AromaticContact CE1-CE1 3.91Å; H312-H356 AromaticContact CG-CE1 3.67Å; H312-H356 AromaticContact CG-CG 3.87Å; H312-H356 AromaticContact CG-ND1 3.59Å; H312-H356 AromaticContact ND1-CE1 3.39Å; H312-H356 PolarHBondContact ND1-CE1 3.03Å; H312-H356 AromaticContact ND1-ND1 3.68Å; H312-H356 AromaticContact ND1-NE2 3.93Å; H312-E483 IonicContact CE1-OE1 3.85Å; H312-E483 IonicContact CG-OE1 2.75Å; H312-E483 PolarHBondContact N-OE2 3.02Å; H312-E483 IonicContact ND1-OE1 2.79Å; H312-E483 PolarHBondContact ND1-OE1 2.98Å; H312-E483 IonicContact ND1-OE2 2.92Å
313	N	98.8	Very high	98.7	Very high	28 Å²	28	32.2 Å²	32.2	15%	0.15	16%	0.157	C	C	.	.	S	Bend	trans	-130.8	-178.7	-176.7	62.3	48.9	0	0	0	112.1	R307 N309 P310 F311 R315 H316 C317	R307-N313 WeakPolarHBondContact O-CA 3.3Å; R307-N313 WeakPolarHBondContact O-CB 3.27Å; N309-N313 WeakPolarHBondContact O-CB 3.36Å; N309-N313 PolarHBondContact O-ND2 3.27Å; P310-N313 PolarHBondContact O-ND2 3.39Å; F311-N313 VanDerWaalsContact C-N 3.28Å; F311-N313 PolarHBondContact O-N 3.09Å; F311-N313 PolarHBondContact O-ND2 2.85Å; N313-R315 PolarHBondContact O-N 3.4Å; N313-R315 WeakPolarHBondContact OD1-CA 3.28Å; N313-R315 WeakPolarHBondContact OD1-CB 3.49Å; N313-R315 PolarHBondContact OD1-N 3.04Å; N313-H316 WeakPolarHBondContact O-CB 3.32Å; N313-H316 PolarHBondContact O-N 3.03Å; N313-H316 PolarHBondContact OD1-N 3.45Å; N313-C317 PolarHBondContact O-N 2.93Å; N313-C317 VanDerWaalsContact O-N 3.14Å
314	F	98.9	Very high	98.7	Very high	14 Å²	14	29.9 Å²	29.9	6%	0.061	15%	0.146	C	C	.	.	H	α-helix	trans	-61.6	-29.3	-177.5	-175.9	-108.1	0	0	0	114	M271 L272 L275 H303 Y306 C317 F318	M271-F314 HydrophobicContact CB-CE1 4.01Å; M271-F314 HydrophobicContact CE-CD1 3.94Å; M271-F314 HydrophobicContact CE-CE1 4.25Å; L272-F314 HydrophobicContact CD2-CE1 4.38Å; L272-F314 HydrophobicContact CD2-CE2 4.43Å; L272-F314 HydrophobicContact CD2-CZ 3.68Å; L272-F314 HydrophobicContact CG-CE1 4.23Å; L272-F314 HydrophobicContact CG-CZ 4.01Å; L275-F314 HydrophobicContact CD1-CE2 4.28Å; L275-F314 HydrophobicContact CD1-CZ 3.84Å; H303-F314 HydrophobicContact CB-CD2 3.91Å; H303-F314 HydrophobicContact CB-CE1 4.48Å; H303-F314 HydrophobicContact CB-CE2 3.74Å; H303-F314 HydrophobicContact CB-CG 4.35Å; H303-F314 HydrophobicContact CB-CZ 4.04Å; H303-F314 AromaticContact CD2-CD1 3.52Å; H303-F314 AromaticContact CD2-CE1 3.85Å; H303-F314 AromaticContact CD2-CG 3.62Å; Y306-F314 AromaticContact CD2-CD2 3.9Å; Y306-F314 HydrophobicContact CD2-CD2 3.9Å; Y306-F314 HydrophobicContact CG-CB 4.26Å; Y306-F314 HydrophobicContact CG-CD2 4.35Å; F314-C317 HydrophobicContact CD2-CB 4.47Å; F314-C317 WeakPolarHBondContact O-CB 3.24Å; F314-C317 PolarHBondContact O-N 3.41Å; F314-F318 PolarHBondContact O-N 2.92Å
315	R	98.9	Very high	98.7	Very high	48 Å²	48	24.3 Å²	24.3	18%	0.181	12%	0.116	C	C	.	.	H	α-helix	trans	-70.4	-35.5	176.2	-167.1	-175.8	-64.9	-71.2	-1.4	110.8	V263 W266 M271 N313 F318 C319 W476	V263-R315 PolarHBondContact O-NH1 2.86Å; W266-R315 PolarHBondContact O-NH1 3.12Å; W266-R315 PolarHBondContact O-NH2 2.83Å; M271-R315 HydrophobicContact CE-CB 4.33Å; M271-R315 HydrophobicContact CE-CG 4.41Å; M271-R315 HydrophobicContact SD-CB 4.3Å; M271-R315 HydrophobicContact SD-CG 3.91Å; M271-R315 PolarHBondContact SD-NH1 3.3Å; N313-R315 PolarHBondContact O-N 3.4Å; N313-R315 WeakPolarHBondContact OD1-CA 3.28Å; N313-R315 WeakPolarHBondContact OD1-CB 3.49Å; N313-R315 PolarHBondContact OD1-N 3.04Å; R315-F318 WeakPolarHBondContact O-CB 3.34Å; R315-F318 PolarHBondContact O-N 3.44Å; R315-C319 PolarHBondContact O-N 2.67Å; R315-C319 PolarHBondContact O-SG 3.48Å; R315-W476 HydrophobicContact CB-CH2 3.97Å; R315-W476 HydrophobicContact CB-CZ2 4.18Å; R315-W476 HydrophobicContact CG-CH2 4.13Å; R315-W476 HydrophobicContact CG-CZ2 3.81Å
316	H	98.9	Very high	98.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.6	-49.1	172.5	171.4	67.2	0	0	0	110.7	F311 N313 F318 C319 V320 H352 D353 D462 W476	F311-H316 AromaticContact CE1-CE1 3.92Å; F311-H316 AromaticContact CE1-ND1 3.83Å; F311-H316 AromaticContact CZ-ND1 3.99Å; F311-H316 VanDerWaalsContact O-CB 3.27Å; F311-H316 WeakPolarHBondContact O-CB 3.07Å; N313-H316 WeakPolarHBondContact O-CB 3.32Å; N313-H316 PolarHBondContact O-N 3.03Å; N313-H316 PolarHBondContact OD1-N 3.45Å; H316-F318 VanDerWaalsContact C-N 3.25Å; H316-F318 PolarHBondContact O-N 2.93Å; H316-C319 WeakPolarHBondContact O-CA 3.14Å; H316-C319 VanDerWaalsContact O-CB 3.3Å; H316-C319 WeakPolarHBondContact O-CB 3.38Å; H316-C319 PolarHBondContact O-N 3.06Å; H316-V320 WeakPolarHBondContact O-CG2 3.5Å; H316-V320 PolarHBondContact O-N 3.22Å; H316-H352 AromaticContact CD2-CE1 3.95Å; H316-H352 AromaticContact CD2-NE2 3.93Å; H316-H352 AromaticContact NE2-CE1 3.58Å; H316-H352 AromaticContact NE2-NE2 3.23Å; H316-H352 PolarHBondContact NE2-NE2 3.14Å; H316-D353 IonicContact CD2-OD2 3.43Å; H316-D353 PolarHBondContact CD2-OD2 3.26Å; H316-D353 IonicContact NE2-OD2 2.73Å; H316-D353 PolarHBondContact NE2-OD2 3.01Å; H316-D462 IonicContact CE1-OD1 3.26Å; H316-D462 IonicContact NE2-OD1 3.48Å; H316-W476 HydrophobicContact CB-CH2 3.84Å; H316-W476 HydrophobicContact CB-CZ3 4.03Å
317	C	98.9	Very high	98.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-48.3	-47.7	170	162.1	0	0	0	0	112.7	Y306 N313 F314 V320 A321 I350	Y306-C317 HydrophobicContact CD1-CB 4.31Å; Y306-C317 HydrophobicContact CD2-CB 4.28Å; Y306-C317 HydrophobicContact CE1-CB 3.69Å; Y306-C317 HydrophobicContact CE2-CB 3.65Å; Y306-C317 VanDerWaalsContact CE2-SG 3.6Å; Y306-C317 WeakPolarHBondContact OH-CB 3.03Å; N313-C317 PolarHBondContact O-N 2.93Å; N313-C317 VanDerWaalsContact O-N 3.14Å; F314-C317 HydrophobicContact CD2-CB 4.47Å; F314-C317 WeakPolarHBondContact O-CB 3.24Å; F314-C317 PolarHBondContact O-N 3.41Å; C317-V320 PolarHBondContact O-N 3.38Å; C317-A321 WeakPolarHBondContact O-CB 3.43Å; C317-A321 PolarHBondContact O-N 2.91Å; C317-I350 PolarHBondContact SG-O 2.95Å
318	F	98.9	Very high	98.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.8	-43.8	176.7	178	-101.6	0	0	0	112.5	L256 F261 V263 M271 C274 L275 M278 F314 R315 H316 V320 A321 Q322	L256-F318 HydrophobicContact CD1-CZ 4.03Å; F261-F318 HydrophobicContact CD1-CE1 4.19Å; F261-F318 HydrophobicContact CD1-CZ 4.41Å; F261-F318 AromaticContact CE1-CE1 3.77Å; F261-F318 HydrophobicContact CE1-CE1 3.77Å; F261-F318 AromaticContact CE1-CZ 3.78Å; F261-F318 HydrophobicContact CE1-CZ 3.78Å; V263-F318 HydrophobicContact CB-CD1 4.42Å; V263-F318 HydrophobicContact CB-CE1 4.43Å; V263-F318 HydrophobicContact CG1-CD1 4.28Å; V263-F318 HydrophobicContact CG1-CE1 4.13Å; M271-F318 HydrophobicContact CB-CD1 4.5Å; M271-F318 HydrophobicContact CB-CD2 3.76Å; M271-F318 HydrophobicContact CB-CE2 4.09Å; M271-F318 HydrophobicContact CB-CG 3.99Å; M271-F318 HydrophobicContact CG-CB 4.5Å; M271-F318 HydrophobicContact CG-CD1 3.91Å; M271-F318 HydrophobicContact CG-CD2 4.07Å; M271-F318 HydrophobicContact CG-CE1 4.12Å; M271-F318 HydrophobicContact CG-CE2 4.29Å; M271-F318 HydrophobicContact CG-CG 3.87Å; M271-F318 HydrophobicContact CG-CZ 4.31Å; M271-F318 HydrophobicContact SD-CB 3.8Å; M271-F318 HydrophobicContact SD-CD1 3.67Å; M271-F318 HydrophobicContact SD-CD2 4.43Å; M271-F318 HydrophobicContact SD-CE1 4.39Å; M271-F318 HydrophobicContact SD-CG 3.69Å; C274-F318 HydrophobicContact CB-CE2 3.55Å; C274-F318 HydrophobicContact CB-CZ 3.89Å; L275-F318 HydrophobicContact CD1-CD2 4.38Å; L275-F318 HydrophobicContact CD2-CD2 3.89Å; L275-F318 HydrophobicContact CD2-CE2 4.3Å; L275-F318 HydrophobicContact CG-CD2 3.91Å; L275-F318 HydrophobicContact CG-CE2 4.31Å; M278-F318 HydrophobicContact CE-CE2 4.21Å; F314-F318 PolarHBondContact O-N 2.92Å; R315-F318 WeakPolarHBondContact O-CB 3.34Å; R315-F318 PolarHBondContact O-N 3.44Å; H316-F318 VanDerWaalsContact C-N 3.25Å; H316-F318 PolarHBondContact O-N 2.93Å; F318-V320 VanDerWaalsContact C-N 3.33Å; F318-V320 PolarHBondContact O-N 2.92Å; F318-A321 PolarHBondContact O-N 3.19Å; F318-Q322 HydrophobicContact CE1-CB 4.35Å; F318-Q322 HydrophobicContact CE1-CG 4.47Å; F318-Q322 HydrophobicContact CZ-CB 4.28Å; F318-Q322 HydrophobicContact CZ-CG 4.28Å; F318-Q322 WeakPolarHBondContact O-CB 3.5Å; F318-Q322 PolarHBondContact O-N 3.38Å
319	C	98.9	Very high	98.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-56.2	-45.8	175.6	-70.6	0	0	0	0	112.1	R315 H316 Q322 M323 R468 W476	R315-C319 PolarHBondContact O-N 2.67Å; R315-C319 PolarHBondContact O-SG 3.48Å; H316-C319 WeakPolarHBondContact O-CA 3.14Å; H316-C319 VanDerWaalsContact O-CB 3.3Å; H316-C319 WeakPolarHBondContact O-CB 3.38Å; H316-C319 PolarHBondContact O-N 3.06Å; C319-Q322 PolarHBondContact O-N 3.08Å; C319-M323 VanDerWaalsContact O-CB 3.32Å; C319-M323 WeakPolarHBondContact O-CB 3.36Å; C319-M323 PolarHBondContact O-N 3.01Å; C319-R468 PolarHBondContact O-NH2 2.61Å; C319-W476 WeakPolarHBondContact SG-CZ2 3.35Å
320	V	98.9	Very high	98.9	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	7%	0.065	C	C	.	.	H	α-helix	trans	-67.4	-46.7	-178.2	-179.5	0	0	0	0	110.7	H316 C317 F318 Q322 M323 M324 A349 C461 D462	H316-V320 WeakPolarHBondContact O-CG2 3.5Å; H316-V320 PolarHBondContact O-N 3.22Å; C317-V320 PolarHBondContact O-N 3.38Å; F318-V320 VanDerWaalsContact C-N 3.33Å; F318-V320 PolarHBondContact O-N 2.92Å; V320-Q322 PolarHBondContact O-N 3.48Å; V320-M323 PolarHBondContact O-N 2.91Å; V320-M324 WeakPolarHBondContact O-CB 3.43Å; V320-M324 PolarHBondContact O-N 3.24Å; V320-A349 HydrophobicContact CG1-CB 4.03Å; V320-C461 HydrophobicContact CG1-CB 3.9Å; V320-D462 HydrophobicContact CG1-CB 4.47Å
321	A	99	Very high	98.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.7	-40.9	176.5	0	0	0	0	0	112.6	L275 C317 F318 M324 Y325 A349 I350	L275-A321 HydrophobicContact CD2-CB 3.66Å; C317-A321 WeakPolarHBondContact O-CB 3.43Å; C317-A321 PolarHBondContact O-N 2.91Å; F318-A321 PolarHBondContact O-N 3.19Å; A321-M324 PolarHBondContact O-N 3.02Å; A321-Y325 WeakPolarHBondContact O-CB 3.22Å; A321-Y325 PolarHBondContact O-N 2.82Å; A321-A349 HydrophobicContact CB-CB 4.41Å; A321-I350 HydrophobicContact CB-CD1 4.39Å; A321-I350 HydrophobicContact CB-CG1 3.59Å
322	Q	98.9	Very high	98.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-70.2	-34.6	178.2	-170.4	-81.3	-37.7	0	0	112.1	L256 K258 F261 M278 F318 C319 V320 Y325 S326	L256-Q322 HydrophobicContact CD1-CG 3.67Å; L256-Q322 HydrophobicContact CG-CG 4.47Å; L256-Q322 PolarHBondContact O-NE2 3.15Å; K258-Q322 PolarHBondContact O-NE2 3.3Å; F261-Q322 HydrophobicContact CD1-CG 4.22Å; M278-Q322 HydrophobicContact CE-CB 3.82Å; M278-Q322 HydrophobicContact CE-CG 3.86Å; F318-Q322 HydrophobicContact CE1-CB 4.35Å; F318-Q322 HydrophobicContact CE1-CG 4.47Å; F318-Q322 HydrophobicContact CZ-CB 4.28Å; F318-Q322 HydrophobicContact CZ-CG 4.28Å; F318-Q322 WeakPolarHBondContact O-CB 3.5Å; F318-Q322 PolarHBondContact O-N 3.38Å; C319-Q322 PolarHBondContact O-N 3.08Å; V320-Q322 PolarHBondContact O-N 3.48Å; Q322-Y325 PolarHBondContact O-N 3.44Å; Q322-S326 PolarHBondContact NE2-OG 3.23Å; Q322-S326 PolarHBondContact O-N 2.84Å; Q322-S326 PolarHBondContact O-OG 3.17Å
323	M	98.9	Very high	98.8	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-67.2	-43.2	172	-172.3	59.5	69.8	0	0	111	P259 C319 V320 Y325 S326 M327 C461 S464 V467 R468 M539	P259-M323 HydrophobicContact CB-CE 3.76Å; P259-M323 HydrophobicContact CB-SD 3.83Å; C319-M323 VanDerWaalsContact O-CB 3.32Å; C319-M323 WeakPolarHBondContact O-CB 3.36Å; C319-M323 PolarHBondContact O-N 3.01Å; V320-M323 PolarHBondContact O-N 2.91Å; M323-Y325 VanDerWaalsContact C-N 3.32Å; M323-Y325 PolarHBondContact O-N 3.27Å; M323-S326 WeakPolarHBondContact O-CB 3.34Å; M323-S326 PolarHBondContact O-N 2.98Å; M323-S326 VanDerWaalsContact O-N 3.09Å; M323-M327 WeakPolarHBondContact O-CG 3.39Å; M323-M327 PolarHBondContact O-N 3.22Å; M323-C461 HydrophobicContact CB-CB 4.09Å; M323-C461 HydrophobicContact CG-CB 4.18Å; M323-S464 WeakPolarHBondContact CG-OG 3.43Å; M323-V467 HydrophobicContact CE-CB 4.41Å; M323-V467 HydrophobicContact CE-CG1 4.32Å; M323-R468 HydrophobicContact CE-CG 4.1Å; M323-M539 HydrophobicContact CE-CE 4.41Å; M323-M539 HydrophobicContact CG-CE 4.21Å; M323-M539 HydrophobicContact SD-CE 3.4Å; M323-M539 WeakPolarHBondContact SD-CE 3.4Å
324	M	98.9	Very high	98.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-57.5	-47.1	174.1	-177.1	60.3	70.5	0	0	110.9	V320 A321 S326 M327 V328 L345 M346 A349 L457 I458 C461	V320-M324 WeakPolarHBondContact O-CB 3.43Å; V320-M324 PolarHBondContact O-N 3.24Å; A321-M324 PolarHBondContact O-N 3.02Å; M324-S326 VanDerWaalsContact C-N 3.32Å; M324-S326 PolarHBondContact O-N 3.28Å; M324-M327 PolarHBondContact O-N 2.99Å; M324-V328 WeakPolarHBondContact O-CG2 3.29Å; M324-V328 PolarHBondContact O-N 3.41Å; M324-L345 HydrophobicContact CE-CB 4.22Å; M324-L345 HydrophobicContact CE-CD2 3.64Å; M324-L345 HydrophobicContact CE-CG 4.48Å; M324-L345 HydrophobicContact CG-CB 4.17Å; M324-L345 HydrophobicContact SD-CB 3.9Å; M324-L345 HydrophobicContact SD-CD1 4.31Å; M324-L345 HydrophobicContact SD-CD2 3.94Å; M324-L345 HydrophobicContact SD-CG 4.28Å; M324-M346 HydrophobicContact CB-SD 4.07Å; M324-M346 HydrophobicContact CG-SD 3.68Å; M324-A349 HydrophobicContact CB-CB 4.33Å; M324-L457 HydrophobicContact CE-CB 4.19Å; M324-I458 HydrophobicContact CE-CB 4.2Å; M324-C461 WeakPolarHBondContact CA-SG 3.38Å; M324-C461 HydrophobicContact CE-CB 4.37Å; M324-C461 PolarHBondContact N-SG 3.37Å; M324-C461 VanDerWaalsContact N-SG 3.41Å
325	Y	98.9	Very high	98.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.7	-42.4	174.6	-178.8	-115.2	0	0	0	112.2	L256 R257 M278 D281 L282 A321 Q322 M323 M327 V328 W329	L256-Y325 HydrophobicContact CB-CE1 4.4Å; L256-Y325 HydrophobicContact CD2-CE1 4.3Å; L256-Y325 HydrophobicContact CG-CD1 4.22Å; L256-Y325 HydrophobicContact CG-CE1 4.07Å; L256-Y325 VanDerWaalsContact O-CD1 3.3Å; L256-Y325 WeakPolarHBondContact O-CD1 3.43Å; R257-Y325 HydrophobicContact CB-CE1 4.31Å; R257-Y325 HydrophobicContact CG-CE1 3.67Å; M278-Y325 HydrophobicContact CB-CD2 3.99Å; M278-Y325 HydrophobicContact CB-CE2 4.15Å; M278-Y325 HydrophobicContact CB-CG 4.37Å; M278-Y325 HydrophobicContact CE-CD1 4.18Å; M278-Y325 HydrophobicContact CE-CG 4.4Å; M278-Y325 HydrophobicContact CG-CD1 3.86Å; M278-Y325 HydrophobicContact CG-CD2 3.78Å; M278-Y325 HydrophobicContact CG-CE1 4.1Å; M278-Y325 HydrophobicContact CG-CE2 4.03Å; M278-Y325 HydrophobicContact CG-CG 3.68Å; M278-Y325 HydrophobicContact SD-CD1 4.29Å; M278-Y325 HydrophobicContact SD-CD2 4.49Å; M278-Y325 HydrophobicContact SD-CG 3.97Å; D281-Y325 PolarHBondContact OD2-OH 3.02Å; L282-Y325 HydrophobicContact CD1-CD2 3.93Å; L282-Y325 HydrophobicContact CD1-CE2 4.32Å; L282-Y325 HydrophobicContact CD2-CD2 3.99Å; L282-Y325 HydrophobicContact CD2-CE2 3.86Å; L282-Y325 HydrophobicContact CG-CD2 3.94Å; L282-Y325 HydrophobicContact CG-CE2 3.82Å; A321-Y325 WeakPolarHBondContact O-CB 3.22Å; A321-Y325 PolarHBondContact O-N 2.82Å; Q322-Y325 PolarHBondContact O-N 3.44Å; M323-Y325 VanDerWaalsContact C-N 3.32Å; M323-Y325 PolarHBondContact O-N 3.27Å; Y325-M327 PolarHBondContact O-N 3.33Å; Y325-V328 WeakPolarHBondContact O-CB 3.45Å; Y325-V328 PolarHBondContact O-N 3.37Å; Y325-W329 AromaticContact CD2-NE1 3.66Å; Y325-W329 AromaticContact CE1-NE1 3.72Å; Y325-W329 HydrophobicContact CE2-CZ2 4.34Å; Y325-W329 AromaticContact CE2-NE1 3.09Å; Y325-W329 AromaticContact CZ-CD1 3.97Å; Y325-W329 AromaticContact CZ-NE1 3.14Å; Y325-W329 PolarHBondContact O-N 2.88Å; Y325-W329 PolarHBondContact OH-NE1 3.4Å
326	S	98.9	Very high	98.8	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-42.9	175.1	-60.5	0	0	0	0	112	R257 K258 Q322 M323 M324 V328 W329 L330	R257-S326 WeakPolarHBondContact O-CA 3.42Å; K258-S326 PolarHBondContact O-OG 3.29Å; Q322-S326 PolarHBondContact NE2-OG 3.23Å; Q322-S326 PolarHBondContact O-N 2.84Å; Q322-S326 PolarHBondContact O-OG 3.17Å; M323-S326 WeakPolarHBondContact O-CB 3.34Å; M323-S326 PolarHBondContact O-N 2.98Å; M323-S326 VanDerWaalsContact O-N 3.09Å; M324-S326 VanDerWaalsContact C-N 3.32Å; M324-S326 PolarHBondContact O-N 3.28Å; S326-V328 VanDerWaalsContact C-N 3.32Å; S326-V328 PolarHBondContact O-N 3.49Å; S326-W329 PolarHBondContact O-N 3.5Å; S326-L330 WeakPolarHBondContact O-CB 3.32Å; S326-L330 PolarHBondContact O-N 2.67Å
327	M	98.9	Very high	98.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-65.3	-34.2	176.9	-69.2	-165.7	79.4	0	0	112.2	M323 M324 Y325 W329 L330 C331 L333 L457 C460 C461 V528 M539	M323-M327 WeakPolarHBondContact O-CG 3.39Å; M323-M327 PolarHBondContact O-N 3.22Å; M324-M327 PolarHBondContact O-N 2.99Å; Y325-M327 PolarHBondContact O-N 3.33Å; M327-W329 VanDerWaalsContact C-N 3.3Å; M327-W329 PolarHBondContact O-N 3.36Å; M327-L330 PolarHBondContact O-N 3.35Å; M327-C331 VanDerWaalsContact O-CB 3.29Å; M327-C331 WeakPolarHBondContact O-CB 3.42Å; M327-C331 PolarHBondContact O-N 2.92Å; M327-L333 HydrophobicContact CB-CD1 4.5Å; M327-L457 HydrophobicContact CE-CD2 3.58Å; M327-L457 HydrophobicContact SD-CD2 4.22Å; M327-C460 HydrophobicContact SD-CB 4.25Å; M327-C461 VanDerWaalsContact SD-SG 3.65Å; M327-V528 HydrophobicContact CE-CG1 4.32Å; M327-M539 HydrophobicContact CE-SD 4.2Å; M327-M539 HydrophobicContact CG-CE 4.06Å; M327-M539 HydrophobicContact CG-SD 4.27Å; M327-M539 HydrophobicContact SD-CE 4.14Å; M327-M539 HydrophobicContact SD-SD 4.45Å
328	V	98.9	Very high	98.7	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-56.4	-45.4	174	171.8	0	0	0	0	111.4	L282 M324 Y325 S326 G332 L333 Q334 I342	L282-V328 HydrophobicContact CD2-CB 4.43Å; L282-V328 HydrophobicContact CD2-CG1 3.66Å; M324-V328 WeakPolarHBondContact O-CG2 3.29Å; M324-V328 PolarHBondContact O-N 3.41Å; Y325-V328 WeakPolarHBondContact O-CB 3.45Å; Y325-V328 PolarHBondContact O-N 3.37Å; S326-V328 VanDerWaalsContact C-N 3.32Å; S326-V328 PolarHBondContact O-N 3.49Å; V328-G332 PolarHBondContact O-N 3.49Å; V328-L333 HydrophobicContact CB-CB 4.44Å; V328-L333 HydrophobicContact CG1-CB 4.39Å; V328-L333 HydrophobicContact CG2-CB 4.36Å; V328-L333 HydrophobicContact CG2-CD1 4.07Å; V328-L333 PolarHBondContact O-N 3.4Å; V328-Q334 HydrophobicContact CG1-CG 3.93Å; V328-I342 HydrophobicContact CG2-CD1 4.27Å
329	W	98.8	Very high	98.7	Very high	90 Å²	90	28.7 Å²	28.7	34%	0.341	14%	0.144	S	C	.	.	H	α-helix	trans	-74.4	-49.2	177.1	-65.2	106.8	0	0	0	112.6	R257 D281 L282 Y325 S326 M327 C331 G332	R257-W329 HydrophobicContact CB-CG 4.22Å; R257-W329 HydrophobicContact CG-CG 4.31Å; R257-W329 VanDerWaalsContact NH1-CD2 3.28Å; R257-W329 VanDerWaalsContact NH1-CE3 3.34Å; D281-W329 WeakPolarHBondContact OD2-CZ2 3.37Å; L282-W329 HydrophobicContact CD2-CZ2 4.13Å; Y325-W329 AromaticContact CD2-NE1 3.66Å; Y325-W329 AromaticContact CE1-NE1 3.72Å; Y325-W329 HydrophobicContact CE2-CZ2 4.34Å; Y325-W329 AromaticContact CE2-NE1 3.09Å; Y325-W329 AromaticContact CZ-CD1 3.97Å; Y325-W329 AromaticContact CZ-NE1 3.14Å; Y325-W329 PolarHBondContact O-N 2.88Å; Y325-W329 PolarHBondContact OH-NE1 3.4Å; S326-W329 PolarHBondContact O-N 3.5Å; M327-W329 VanDerWaalsContact C-N 3.3Å; M327-W329 PolarHBondContact O-N 3.36Å; W329-C331 VanDerWaalsContact C-N 3.33Å; W329-C331 PolarHBondContact O-N 2.92Å; W329-G332 PolarHBondContact O-N 3.41Å
330	L	98.6	Very high	98.7	Very high	41 Å²	41	30.1 Å²	30.1	22%	0.215	15%	0.152	C	C	.	.	H	α-helix	trans	-58.6	-45	-175.5	177.7	62.9	0	0	0	111.6	S326 M327 V534 V535 I538 M539	S326-L330 WeakPolarHBondContact O-CB 3.32Å; S326-L330 PolarHBondContact O-N 2.67Å; M327-L330 PolarHBondContact O-N 3.35Å; L330-V534 HydrophobicContact CD1-CB 4.36Å; L330-V534 HydrophobicContact CD1-CG1 3.92Å; L330-V534 HydrophobicContact CD1-CG2 3.62Å; L330-V534 HydrophobicContact CG-CG1 3.96Å; L330-V534 VanDerWaalsContact O-CG1 3.3Å; L330-V534 WeakPolarHBondContact O-CG1 3.34Å; L330-V535 HydrophobicContact CD2-CG2 4.49Å; L330-I538 HydrophobicContact CD1-CB 4.12Å; L330-I538 HydrophobicContact CD1-CG1 3.83Å; L330-I538 HydrophobicContact CD1-CG2 4.13Å; L330-I538 HydrophobicContact CD2-CB 4.06Å; L330-I538 HydrophobicContact CD2-CG2 3.8Å; L330-M539 HydrophobicContact CD2-CG 4.1Å; L330-M539 HydrophobicContact CD2-SD 3.86Å
331	C	98.6	Very high	98.7	Very high	12 Å²	12	31.1 Å²	31.1	8%	0.081	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	3	-174.2	-58.6	0	0	0	0	113.5	M327 W329 L333 F532	M327-C331 VanDerWaalsContact O-CB 3.29Å; M327-C331 WeakPolarHBondContact O-CB 3.42Å; M327-C331 PolarHBondContact O-N 2.92Å; W329-C331 VanDerWaalsContact C-N 3.33Å; W329-C331 PolarHBondContact O-N 2.92Å; C331-L333 VanDerWaalsContact C-N 3.32Å; C331-L333 HydrophobicContact CB-CD2 3.5Å; C331-L333 HydrophobicContact CB-CG 3.91Å; C331-L333 PolarHBondContact O-N 2.67Å; C331-F532 HydrophobicContact CB-CB 4.2Å; C331-F532 HydrophobicContact CB-CD1 3.62Å; C331-F532 HydrophobicContact CB-CD2 4.27Å; C331-F532 HydrophobicContact CB-CE1 4Å; C331-F532 HydrophobicContact CB-CG 3.76Å; C331-F532 HydrophobicContact CB-CZ 4.48Å
332	G	98.4	Very high	98.7	Very high	23 Å²	23	31.1 Å²	31.1	24%	0.237	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	40.3	-176.7	0	0	0	0	0	112.9	V328 W329 Q334 E335	V328-G332 PolarHBondContact O-N 3.49Å; W329-G332 PolarHBondContact O-N 3.41Å; G332-Q334 PolarHBondContact O-N 2.85Å; G332-E335 WeakPolarHBondContact O-CB 3.49Å; G332-E335 PolarHBondContact O-N 3.39Å
333	L	98.7	Very high	98.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-64.2	-26.9	-167.7	-64.5	-170.7	0	0	0	113.6	M327 V328 C331 E335 K336 F337 I342 L457 F532	M327-L333 HydrophobicContact CB-CD1 4.5Å; V328-L333 HydrophobicContact CB-CB 4.44Å; V328-L333 HydrophobicContact CG1-CB 4.39Å; V328-L333 HydrophobicContact CG2-CB 4.36Å; V328-L333 HydrophobicContact CG2-CD1 4.07Å; V328-L333 PolarHBondContact O-N 3.4Å; C331-L333 VanDerWaalsContact C-N 3.32Å; C331-L333 HydrophobicContact CB-CD2 3.5Å; C331-L333 HydrophobicContact CB-CG 3.91Å; C331-L333 PolarHBondContact O-N 2.67Å; L333-E335 PolarHBondContact O-N 3.18Å; L333-K336 PolarHBondContact O-N 2.92Å; L333-F337 HydrophobicContact CB-CD2 3.97Å; L333-F337 HydrophobicContact CD2-CD2 4.23Å; L333-F337 HydrophobicContact CD2-CE2 4.03Å; L333-F337 HydrophobicContact CG-CD2 4.49Å; L333-F337 WeakPolarHBondContact O-CB 3.39Å; L333-F337 PolarHBondContact O-N 3.06Å; L333-I342 HydrophobicContact CB-CD1 4.18Å; L333-L457 HydrophobicContact CD1-CD1 4Å; L333-F532 HydrophobicContact CD2-CE1 3.96Å; L333-F532 HydrophobicContact CD2-CE2 4.29Å; L333-F532 HydrophobicContact CD2-CZ 3.69Å
334	Q	98.4	Very high	98.7	Very high	73 Å²	73	31.2 Å²	31.2	34%	0.341	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-66.5	-12.8	175.2	-64	-170.3	-74	0	0	113.4	L282 V328 G332 I342	L282-Q334 PolarHBondContact O-NE2 3.25Å; V328-Q334 HydrophobicContact CG1-CG 3.93Å; G332-Q334 PolarHBondContact O-N 2.85Å; Q334-I342 HydrophobicContact CG-CD1 4.37Å; Q334-I342 HydrophobicContact CG-CG1 4.31Å
335	E	98.2	Very high	98.7	Very high	159 Å²	159	31.2 Å²	31.2	74%	0.743	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-84.6	-19	171.5	-57.5	-179.6	-175.8	0	0	112.8	G332 L333	G332-E335 WeakPolarHBondContact O-CB 3.49Å; G332-E335 PolarHBondContact O-N 3.39Å; L333-E335 PolarHBondContact O-N 3.18Å
336	K	98.2	Very high	98.7	Very high	89 Å²	89	31.2 Å²	31.2	39%	0.387	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-29.6	-174.2	-54.3	-54.8	-178.8	-168	0	112.7	L333 Y444 M450 F532	L333-K336 PolarHBondContact O-N 2.92Å; K336-Y444 HydrophobicContact CB-CD1 3.97Å; K336-Y444 HydrophobicContact CB-CE1 3.92Å; K336-Y444 HydrophobicContact CD-CD1 4.1Å; K336-Y444 HydrophobicContact CD-CE1 3.91Å; K336-Y444 HydrophobicContact CG-CD1 4.26Å; K336-Y444 HydrophobicContact CG-CE1 3.86Å; K336-M450 WeakPolarHBondContact O-CE 3.43Å; K336-F532 HydrophobicContact CG-CE1 4.5Å
337	F	98.7	Very high	98.7	Very high	11 Å²	11	31.1 Å²	31.1	5%	0.048	16%	0.158	C	C	.	.	S	Bend	trans	-112.3	147.7	-173.7	-75.9	-70.6	0	0	0	111.6	L333 D341 I342 M450 L453 K454 L457	L333-F337 HydrophobicContact CB-CD2 3.97Å; L333-F337 HydrophobicContact CD2-CD2 4.23Å; L333-F337 HydrophobicContact CD2-CE2 4.03Å; L333-F337 HydrophobicContact CG-CD2 4.49Å; L333-F337 WeakPolarHBondContact O-CB 3.39Å; L333-F337 PolarHBondContact O-N 3.06Å; F337-D341 HydrophobicContact CB-CB 3.86Å; F337-D341 HydrophobicContact CD1-CB 3.62Å; F337-D341 HydrophobicContact CG-CB 4.1Å; F337-I342 HydrophobicContact CB-CD1 3.87Å; F337-I342 HydrophobicContact CB-CG1 4.28Å; F337-M450 HydrophobicContact CD1-CE 3.41Å; F337-M450 VanDerWaalsContact CD1-CE 3.41Å; F337-M450 HydrophobicContact CE1-CE 3.24Å; F337-M450 HydrophobicContact CE1-SD 4.22Å; F337-M450 HydrophobicContact CE2-CE 4.45Å; F337-M450 HydrophobicContact CG-CE 4.11Å; F337-M450 HydrophobicContact CZ-CE 3.84Å; F337-L453 HydrophobicContact CE2-CD2 4.07Å; F337-L453 HydrophobicContact CZ-CB 4.48Å; F337-L453 HydrophobicContact CZ-CD2 3.62Å; F337-L453 HydrophobicContact CZ-CG 3.89Å; F337-K454 HydrophobicContact CD1-CD 4.34Å; F337-K454 HydrophobicContact CD1-CG 4.3Å; F337-K454 HydrophobicContact CE1-CD 3.91Å; F337-K454 HydrophobicContact CE1-CG 3.48Å; F337-K454 VanDerWaalsContact CE1-CG 3.48Å; F337-K454 HydrophobicContact CZ-CG 3.87Å; F337-L457 HydrophobicContact CE2-CD1 3.77Å; F337-L457 HydrophobicContact CZ-CD1 3.92Å
338	S	98.8	Very high	98.7	Very high	53 Å²	53	31.1 Å²	31.1	37%	0.371	16%	0.157	S	C	.	.			trans	-68	158.2	168	72.5	0	0	0	0	110.5	T340 D341 I342	S338-T340 PolarHBondContact O-N 3.14Å; S338-T340 VanDerWaalsContact O-N 3.15Å; S338-T340 PolarHBondContact OG-N 3.27Å; S338-D341 WeakPolarHBondContact CB-OD2 3.41Å; S338-D341 PolarHBondContact N-OD2 3.5Å; S338-D341 WeakPolarHBondContact O-CB 3.36Å; S338-D341 PolarHBondContact O-N 2.91Å; S338-D341 VanDerWaalsContact OG-CG 3.3Å; S338-D341 PolarHBondContact OG-N 3.46Å; S338-D341 VanDerWaalsContact OG-N 3.12Å; S338-D341 PolarHBondContact OG-OD2 3.48Å; S338-I342 PolarHBondContact O-N 3.38Å
339	Q	98.8	Very high	98.7	Very high	45 Å²	45	31 Å²	31	21%	0.21	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-26.5	172.6	-72.7	-70.5	93.2	0	0	112.1	L282 D287 F288 I342 L343	L282-Q339 PolarHBondContact O-NE2 3.37Å; D287-Q339 WeakPolarHBondContact OD2-CG 3.4Å; D287-Q339 PolarHBondContact OD2-NE2 2.76Å; F288-Q339 HydrophobicContact CE2-CB 3.99Å; F288-Q339 WeakPolarHBondContact CE2-O 3.49Å; F288-Q339 HydrophobicContact CZ-CB 4.11Å; Q339-I342 PolarHBondContact O-N 3.18Å; Q339-L343 WeakPolarHBondContact O-CB 3.47Å; Q339-L343 PolarHBondContact O-N 3.4Å
340	T	98.9	Very high	98.7	Very high	29 Å²	29	26.7 Å²	26.7	18%	0.178	14%	0.14	C	C	.	.	H	α-helix	trans	-67.7	-40.3	174.2	-56.6	0	0	0	0	111.1	S338 L343 I344 Q411 I412	S338-T340 PolarHBondContact O-N 3.14Å; S338-T340 VanDerWaalsContact O-N 3.15Å; S338-T340 PolarHBondContact OG-N 3.27Å; T340-L343 WeakPolarHBondContact O-CB 3.47Å; T340-L343 PolarHBondContact O-N 3.28Å; T340-I344 HydrophobicContact CG2-CD1 4.02Å; T340-I344 WeakPolarHBondContact O-CD1 3.34Å; T340-I344 VanDerWaalsContact O-CG1 3.23Å; T340-I344 WeakPolarHBondContact O-CG1 3.31Å; T340-I344 PolarHBondContact O-N 3.42Å; T340-Q411 HydrophobicContact CG2-CG 4.5Å; T340-I412 HydrophobicContact CG2-CD1 4.46Å; T340-I412 HydrophobicContact CG2-CG1 3.75Å
341	D	98.9	Very high	98.8	Very high	22 Å²	22	24.7 Å²	24.7	12%	0.118	13%	0.13	C	C	.	.	H	α-helix	trans	-66.2	-40.5	174.7	-66.6	-57.6	0	0	0	111.8	F337 S338 L343 I344 L345 K454	F337-D341 HydrophobicContact CB-CB 3.86Å; F337-D341 HydrophobicContact CD1-CB 3.62Å; F337-D341 HydrophobicContact CG-CB 4.1Å; S338-D341 WeakPolarHBondContact CB-OD2 3.41Å; S338-D341 PolarHBondContact N-OD2 3.5Å; S338-D341 WeakPolarHBondContact O-CB 3.36Å; S338-D341 PolarHBondContact O-N 2.91Å; S338-D341 VanDerWaalsContact OG-CG 3.3Å; S338-D341 PolarHBondContact OG-N 3.46Å; S338-D341 VanDerWaalsContact OG-N 3.12Å; S338-D341 PolarHBondContact OG-OD2 3.48Å; D341-L343 VanDerWaalsContact C-N 3.33Å; D341-L343 PolarHBondContact O-N 3.4Å; D341-I344 PolarHBondContact O-N 2.92Å; D341-L345 WeakPolarHBondContact O-CB 3.24Å; D341-L345 WeakPolarHBondContact O-CG 3.3Å; D341-L345 PolarHBondContact O-N 3.46Å; D341-K454 HydrophobicContact CB-CD 4.14Å; D341-K454 IonicContact OD1-NZ 3.83Å; D341-K454 PolarHBondContact OD1-NZ 3.14Å
342	I	98.9	Very high	98.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.7	-41.6	174.6	-57.6	-60.9	0	0	0	110.7	L282 L284 V328 L333 Q334 F337 S338 Q339 L345 M346	L282-I342 HydrophobicContact CD1-CG2 3.93Å; L284-I342 HydrophobicContact CD2-CB 4.27Å; L284-I342 HydrophobicContact CD2-CG2 4.03Å; V328-I342 HydrophobicContact CG2-CD1 4.27Å; L333-I342 HydrophobicContact CB-CD1 4.18Å; Q334-I342 HydrophobicContact CG-CD1 4.37Å; Q334-I342 HydrophobicContact CG-CG1 4.31Å; F337-I342 HydrophobicContact CB-CD1 3.87Å; F337-I342 HydrophobicContact CB-CG1 4.28Å; S338-I342 PolarHBondContact O-N 3.38Å; Q339-I342 PolarHBondContact O-N 3.18Å; I342-L345 HydrophobicContact CD1-CD1 4.48Å; I342-L345 PolarHBondContact O-N 2.95Å; I342-M346 HydrophobicContact CG2-CG 4.43Å; I342-M346 WeakPolarHBondContact O-CB 3.45Å; I342-M346 WeakPolarHBondContact O-CG 3.29Å; I342-M346 PolarHBondContact O-N 3.4Å
343	L	98.9	Very high	98.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.5	-45.6	173.9	-177.5	62.9	0	0	0	111.6	Y279 L284 F288 I290 Q339 T340 D341 T347 F401 I404 I412	Y279-L343 HydrophobicContact CE1-CD1 3.93Å; L284-L343 HydrophobicContact CB-CD1 4.35Å; L284-L343 HydrophobicContact CD1-CD1 4.03Å; L284-L343 HydrophobicContact CD2-CB 4.1Å; F288-L343 HydrophobicContact CD1-CD2 3.88Å; F288-L343 HydrophobicContact CD2-CB 4.41Å; F288-L343 HydrophobicContact CD2-CD2 3.74Å; F288-L343 HydrophobicContact CD2-CG 4.48Å; F288-L343 HydrophobicContact CE1-CD2 4Å; F288-L343 HydrophobicContact CE2-CB 3.92Å; F288-L343 HydrophobicContact CE2-CD2 3.86Å; F288-L343 HydrophobicContact CE2-CG 4.43Å; F288-L343 HydrophobicContact CG-CD2 3.76Å; F288-L343 HydrophobicContact CZ-CB 4.26Å; F288-L343 HydrophobicContact CZ-CD2 4Å; I290-L343 HydrophobicContact CD1-CD1 4.4Å; Q339-L343 WeakPolarHBondContact O-CB 3.47Å; Q339-L343 PolarHBondContact O-N 3.4Å; T340-L343 WeakPolarHBondContact O-CB 3.47Å; T340-L343 PolarHBondContact O-N 3.28Å; D341-L343 VanDerWaalsContact C-N 3.33Å; D341-L343 PolarHBondContact O-N 3.4Å; L343-T347 VanDerWaalsContact O-CB 3.31Å; L343-T347 WeakPolarHBondContact O-CB 3.29Å; L343-T347 PolarHBondContact O-N 3.33Å; L343-T347 PolarHBondContact O-OG1 3.17Å; L343-F401 HydrophobicContact CD1-CE1 4.06Å; L343-F401 HydrophobicContact CD2-CD1 4.31Å; L343-F401 HydrophobicContact CD2-CE1 3.78Å; L343-F401 HydrophobicContact CG-CE1 4.06Å; L343-I404 HydrophobicContact CD2-CD1 4.05Å; L343-I412 HydrophobicContact CD2-CD1 3.66Å; L343-I412 HydrophobicContact CD2-CG1 4.32Å
344	I	98.9	Very high	98.8	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-60.5	-48.5	177.5	-72.1	160.6	0	0	0	110.6	T340 D341 A348 I412 M416 L419	T340-I344 HydrophobicContact CG2-CD1 4.02Å; T340-I344 WeakPolarHBondContact O-CD1 3.34Å; T340-I344 VanDerWaalsContact O-CG1 3.23Å; T340-I344 WeakPolarHBondContact O-CG1 3.31Å; T340-I344 PolarHBondContact O-N 3.42Å; D341-I344 PolarHBondContact O-N 2.92Å; I344-A348 WeakPolarHBondContact O-CB 3.49Å; I344-A348 PolarHBondContact O-N 3.17Å; I344-I412 HydrophobicContact CG1-CB 4.3Å; I344-I412 HydrophobicContact CG1-CG1 4.28Å; I344-I412 HydrophobicContact CG1-CG2 4.18Å; I344-M416 HydrophobicContact CG2-CG 4.35Å; I344-L419 HydrophobicContact CG2-CD1 3.66Å; I344-L419 HydrophobicContact CG2-CG 4.17Å
345	L	98.9	Very high	98.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.4	-50.4	-180	-76.4	165.4	0	0	0	111.8	M324 D341 I342 A349 L419 K454 L457	M324-L345 HydrophobicContact CE-CB 4.22Å; M324-L345 HydrophobicContact CE-CD2 3.64Å; M324-L345 HydrophobicContact CE-CG 4.48Å; M324-L345 HydrophobicContact CG-CB 4.17Å; M324-L345 HydrophobicContact SD-CB 3.9Å; M324-L345 HydrophobicContact SD-CD1 4.31Å; M324-L345 HydrophobicContact SD-CD2 3.94Å; M324-L345 HydrophobicContact SD-CG 4.28Å; D341-L345 WeakPolarHBondContact O-CB 3.24Å; D341-L345 WeakPolarHBondContact O-CG 3.3Å; D341-L345 PolarHBondContact O-N 3.46Å; I342-L345 HydrophobicContact CD1-CD1 4.48Å; I342-L345 PolarHBondContact O-N 2.95Å; L345-A349 VanDerWaalsContact O-CB 3.25Å; L345-A349 WeakPolarHBondContact O-CB 3.47Å; L345-A349 PolarHBondContact O-N 3.15Å; L345-L419 HydrophobicContact CD2-CD1 3.84Å; L345-L419 HydrophobicContact CG-CD1 4.4Å; L345-K454 HydrophobicContact CD1-CG 4.36Å; L345-K454 HydrophobicContact CD2-CB 3.97Å; L345-K454 HydrophobicContact CD2-CG 4.05Å; L345-K454 HydrophobicContact CG-CG 4.28Å; L345-L457 HydrophobicContact CD2-CB 4.28Å
346	M	98.9	Very high	98.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.6	-42	-179.1	-69.5	-58	-59.1	0	0	112.5	M278 Y279 L282 L284 M324 I342 I350	M278-M346 HydrophobicContact CB-CE 4.1Å; M278-M346 HydrophobicContact CG-CE 4.48Å; M278-M346 HydrophobicContact SD-CE 3.75Å; Y279-M346 HydrophobicContact CE2-CB 4.4Å; L282-M346 HydrophobicContact CD1-CE 4.41Å; L282-M346 HydrophobicContact CD1-CG 3.64Å; L282-M346 HydrophobicContact CD1-SD 3.99Å; L284-M346 HydrophobicContact CD1-CB 4.34Å; L284-M346 HydrophobicContact CD1-CG 4.32Å; M324-M346 HydrophobicContact CB-SD 4.07Å; M324-M346 HydrophobicContact CG-SD 3.68Å; I342-M346 HydrophobicContact CG2-CG 4.43Å; I342-M346 WeakPolarHBondContact O-CB 3.45Å; I342-M346 WeakPolarHBondContact O-CG 3.29Å; I342-M346 PolarHBondContact O-N 3.4Å; M346-I350 WeakPolarHBondContact O-CG1 3.11Å; M346-I350 PolarHBondContact O-N 3.47Å
347	T	99	Very high	98.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-71.5	-41.1	-179.1	-42.6	0	0	0	0	111	Y279 W298 L343 I350 C351 I400 F401 M416	Y279-T347 WeakPolarHBondContact OH-CA 3.37Å; Y279-T347 PolarHBondContact OH-OG1 3.15Å; Y279-T347 VanDerWaalsContact OH-OG1 3.09Å; W298-T347 HydrophobicContact CH2-CG2 4.04Å; W298-T347 HydrophobicContact CZ2-CG2 3.68Å; L343-T347 VanDerWaalsContact O-CB 3.31Å; L343-T347 WeakPolarHBondContact O-CB 3.29Å; L343-T347 PolarHBondContact O-N 3.33Å; L343-T347 PolarHBondContact O-OG1 3.17Å; T347-I350 PolarHBondContact O-N 3.35Å; T347-C351 WeakPolarHBondContact O-CB 3.24Å; T347-C351 PolarHBondContact O-N 2.84Å; T347-C351 VanDerWaalsContact O-N 3.08Å; T347-C351 PolarHBondContact O-SG 3.26Å; T347-C351 VanDerWaalsContact O-SG 3.41Å; T347-I400 HydrophobicContact CG2-CD1 4.35Å; T347-F401 HydrophobicContact CG2-CZ 3.94Å; T347-M416 HydrophobicContact CG2-CE 3.42Å; T347-M416 VanDerWaalsContact CG2-CE 3.42Å; T347-M416 HydrophobicContact CG2-SD 3.81Å
348	A	98.9	Very high	98.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.5	-45.6	175.6	0	0	0	0	0	111.3	I344 I350 C351 H352 M416 L419 I420 I458	I344-A348 WeakPolarHBondContact O-CB 3.49Å; I344-A348 PolarHBondContact O-N 3.17Å; A348-I350 VanDerWaalsContact C-N 3.29Å; A348-I350 PolarHBondContact O-N 2.99Å; A348-C351 PolarHBondContact O-N 3.14Å; A348-H352 WeakPolarHBondContact O-CB 3.47Å; A348-H352 PolarHBondContact O-N 3.31Å; A348-M416 HydrophobicContact CB-CG 4.4Å; A348-L419 HydrophobicContact CB-CB 3.8Å; A348-L419 HydrophobicContact CB-CD1 4.05Å; A348-L419 HydrophobicContact CB-CG 4.5Å; A348-I420 HydrophobicContact CB-CG1 4.18Å; A348-I458 HydrophobicContact CB-CD1 3.8Å
349	A	98.9	Very high	98.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-55.7	-41.3	176.4	0	0	0	0	0	112.8	V320 A321 M324 L345 H352	V320-A349 HydrophobicContact CG1-CB 4.03Å; A321-A349 HydrophobicContact CB-CB 4.41Å; M324-A349 HydrophobicContact CB-CB 4.33Å; L345-A349 VanDerWaalsContact O-CB 3.25Å; L345-A349 WeakPolarHBondContact O-CB 3.47Å; L345-A349 PolarHBondContact O-N 3.15Å; A349-H352 PolarHBondContact O-ND1 2.97Å
350	I	99	Very high	98.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-70.7	-31.9	177.7	-70.8	168.7	0	0	0	112.1	L275 Y279 W298 L299 V302 Y306 C317 A321 M346 T347 A348	L275-I350 HydrophobicContact CD2-CD1 4.07Å; L275-I350 HydrophobicContact CD2-CG1 4.2Å; Y279-I350 HydrophobicContact CE2-CD1 3.57Å; W298-I350 HydrophobicContact CH2-CB 4.18Å; W298-I350 HydrophobicContact CH2-CD1 3.83Å; W298-I350 HydrophobicContact CH2-CG2 3.75Å; W298-I350 HydrophobicContact CZ2-CG2 4.1Å; W298-I350 HydrophobicContact CZ3-CD1 4.2Å; L299-I350 HydrophobicContact CD2-CD1 4.37Å; V302-I350 HydrophobicContact CG1-CG2 3.64Å; V302-I350 HydrophobicContact CG2-CG2 4.49Å; Y306-I350 WeakPolarHBondContact CE2-O 3.19Å; Y306-I350 PolarHBondContact OH-O 3.06Å; C317-I350 PolarHBondContact SG-O 2.95Å; A321-I350 HydrophobicContact CB-CD1 4.39Å; A321-I350 HydrophobicContact CB-CG1 3.59Å; M346-I350 WeakPolarHBondContact O-CG1 3.11Å; M346-I350 PolarHBondContact O-N 3.47Å; T347-I350 PolarHBondContact O-N 3.35Å; A348-I350 VanDerWaalsContact C-N 3.29Å; A348-I350 PolarHBondContact O-N 2.99Å
351	C	98.9	Very high	98.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-98.1	-7.7	-172.3	-70.2	0	0	0	0	115	T347 A348 D353 L354 A389 I420	T347-C351 WeakPolarHBondContact O-CB 3.24Å; T347-C351 PolarHBondContact O-N 2.84Å; T347-C351 VanDerWaalsContact O-N 3.08Å; T347-C351 PolarHBondContact O-SG 3.26Å; T347-C351 VanDerWaalsContact O-SG 3.41Å; A348-C351 PolarHBondContact O-N 3.14Å; C351-D353 PolarHBondContact O-N 3.41Å; C351-D353 VanDerWaalsContact O-N 3.12Å; C351-L354 HydrophobicContact CB-CD1 3.74Å; C351-L354 PolarHBondContact O-N 3.07Å; C351-A389 HydrophobicContact CB-CB 3.7Å; C351-I420 HydrophobicContact CB-CD1 4.08Å
352	H	98.9	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.2	-162.5	77.8	-70.3	0	0	0	115.2	H316 A348 A349 H385 I420 T423 I458 D462	H316-H352 AromaticContact CD2-CE1 3.95Å; H316-H352 AromaticContact CD2-NE2 3.93Å; H316-H352 AromaticContact NE2-CE1 3.58Å; H316-H352 AromaticContact NE2-NE2 3.23Å; H316-H352 PolarHBondContact NE2-NE2 3.14Å; A348-H352 WeakPolarHBondContact O-CB 3.47Å; A348-H352 PolarHBondContact O-N 3.31Å; A349-H352 PolarHBondContact O-ND1 2.97Å; H352-H385 WeakPolarHBondContact O-CB 3.3Å; H352-H385 PolarHBondContact O-CD2 2.81Å; H352-I420 HydrophobicContact CB-CG1 4.29Å; H352-T423 HydrophobicContact CB-CG2 4.22Å; H352-I458 HydrophobicContact CB-CD1 4.48Å; H352-D462 IonicContact NE2-OD1 3.48Å
353	D	98.9	Very high	98.8	Very high	9 Å²	9	12.6 Å²	12.6	5%	0.048	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	21.5	-176.8	-87.2	-14.8	0	0	0	113.8	Y306 H312 H316 C351 D355 H356 H385	Y306-D353 VanDerWaalsContact CE1-C 3.5Å; Y306-D353 HydrophobicContact CE1-CB 3.69Å; Y306-D353 WeakPolarHBondContact CE1-O 3.46Å; Y306-D353 PolarHBondContact OH-N 3.43Å; H312-D353 IonicContact CD2-OD2 2.7Å; H312-D353 PolarHBondContact CD2-OD2 3.33Å; H312-D353 VanDerWaalsContact CD2-OD2 3.3Å; H316-D353 IonicContact CD2-OD2 3.43Å; H316-D353 PolarHBondContact CD2-OD2 3.26Å; H316-D353 IonicContact NE2-OD2 2.73Å; H316-D353 PolarHBondContact NE2-OD2 3.01Å; C351-D353 PolarHBondContact O-N 3.41Å; C351-D353 VanDerWaalsContact O-N 3.12Å; D353-D355 PolarHBondContact O-N 2.92Å; D353-H356 WeakPolarHBondContact O-CB 3.37Å; D353-H356 PolarHBondContact O-N 3.28Å; D353-H356 VanDerWaalsContact O-N 3.12Å; D353-H385 IonicContact OD1-CD2 3.66Å; D353-H385 IonicContact OD1-NE2 3.92Å
354	L	98.9	Very high	98.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	128.6	-179.3	-87.2	168.2	0	0	0	112.1	V302 N305 Y306 C351 H356 H385 V388 A389 I392	V302-L354 HydrophobicContact CG1-CD2 4.11Å; N305-L354 HydrophobicContact CB-CD2 3.82Å; Y306-L354 HydrophobicContact CD2-CD2 3.81Å; Y306-L354 HydrophobicContact CE2-CD2 3.65Å; Y306-L354 HydrophobicContact CE2-CG 3.94Å; C351-L354 HydrophobicContact CB-CD1 3.74Å; C351-L354 PolarHBondContact O-N 3.07Å; L354-H356 VanDerWaalsContact C-N 3.26Å; L354-H356 PolarHBondContact O-N 2.83Å; L354-H385 PolarHBondContact O-ND1 2.8Å; L354-V388 HydrophobicContact CB-CB 4.21Å; L354-V388 HydrophobicContact CB-CG1 3.95Å; L354-V388 HydrophobicContact CD1-CG1 4.37Å; L354-A389 HydrophobicContact CD1-CB 3.75Å; L354-I392 HydrophobicContact CD1-CD1 4.1Å; L354-I392 HydrophobicContact CD2-CD1 4.13Å
355	D	98.8	Very high	98.8	Very high	32 Å²	32	15.4 Å²	15.4	17%	0.171	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	27.8	-179.9	-162.8	43.8	0	0	0	114.6	N305 R307 D353 H384 V388	N305-D355 VanDerWaalsContact O-CA 3.29Å; N305-D355 WeakPolarHBondContact O-CA 3.25Å; N305-D355 PolarHBondContact O-N 2.91Å; R307-D355 IonicContact CZ-OD1 3.28Å; R307-D355 IonicContact NE-OD1 2.67Å; R307-D355 PolarHBondContact NE-OD1 2.87Å; R307-D355 IonicContact NH2-OD1 3.39Å; R307-D355 PolarHBondContact NH2-OD1 3.05Å; R307-D355 IonicContact NH2-OD2 2.91Å; R307-D355 PolarHBondContact NH2-OD2 3.41Å; D353-D355 PolarHBondContact O-N 2.92Å; D355-H384 IonicContact OD2-CD2 3.66Å; D355-H384 IonicContact OD2-CE1 3.59Å; D355-H384 IonicContact OD2-NE2 3.61Å; D355-H384 PolarHBondContact OD2-NE2 3.13Å; D355-V388 HydrophobicContact CB-CG1 4.48Å; D355-V388 HydrophobicContact CB-CG2 4.15Å
356	H	98.8	Very high	98.7	Very high	9 Å²	9	18.2 Å²	18.2	4%	0.042	10%	0.097	C	C	.	.			trans	-56	130	174.8	-168.9	-83.8	0	0	0	111.7	R307 N309 H312 D353 L354 G358 H385 E483	R307-H356 VanDerWaalsContact CD-O 3.32Å; R307-H356 WeakPolarHBondContact CD-O 3.37Å; N309-H356 PolarHBondContact ND2-O 2.87Å; H312-H356 HydrophobicContact CB-CB 3.84Å; H312-H356 WeakPolarHBondContact CB-ND1 3.47Å; H312-H356 AromaticContact CE1-CE1 3.91Å; H312-H356 AromaticContact CG-CE1 3.67Å; H312-H356 AromaticContact CG-CG 3.87Å; H312-H356 AromaticContact CG-ND1 3.59Å; H312-H356 AromaticContact ND1-CE1 3.39Å; H312-H356 PolarHBondContact ND1-CE1 3.03Å; H312-H356 AromaticContact ND1-ND1 3.68Å; H312-H356 AromaticContact ND1-NE2 3.93Å; D353-H356 WeakPolarHBondContact O-CB 3.37Å; D353-H356 PolarHBondContact O-N 3.28Å; D353-H356 VanDerWaalsContact O-N 3.12Å; L354-H356 VanDerWaalsContact C-N 3.26Å; L354-H356 PolarHBondContact O-N 2.83Å; H356-G358 PolarHBondContact ND1-N 2.99Å; H356-G358 VanDerWaalsContact ND1-N 3.11Å; H356-G358 PolarHBondContact O-N 3.18Å; H356-H385 AromaticContact CD2-CE1 3.78Å; H356-H385 AromaticContact CD2-NE2 3.64Å; H356-E483 IonicContact CE1-OE1 3.66Å; H356-E483 IonicContact ND1-OE1 2.68Å
357	P	98.5	Very high	98.7	Very high	23 Å²	23	19.8 Å²	19.8	15%	0.149	11%	0.111	C	C	.	.			trans	-87.2	-3.1	-170.3	33.5	-35.6	0	0	0	114.8	Y359 L381	P357-Y359 WeakPolarHBondContact O-CD2 3.31Å; P357-L381 VanDerWaalsContact CD-CD2 3.47Å; P357-L381 HydrophobicContact CG-CD2 3.64Å
358	G	98.4	Very high	98.7	Very high	3 Å²	3	29.4 Å²	29.4	3%	0.031	15%	0.147	C	C	.	.	S	Bend	trans	87.9	8.4	-176.3	0	0	0	0	0	114.5	H356 E483	H356-G358 PolarHBondContact ND1-N 2.99Å; H356-G358 VanDerWaalsContact ND1-N 3.11Å; H356-G358 PolarHBondContact O-N 3.18Å; G358-E483 VanDerWaalsContact CA-OE1 3.29Å; G358-E483 WeakPolarHBondContact CA-OE1 3.45Å
359	Y	98.4	Very high	98.7	Very high	48 Å²	48	31 Å²	31	19%	0.188	16%	0.156	C	C	.	.	S	Bend	trans	-140.6	127.3	-179.4	-55.3	-88.5	0	0	0	109.6	P357 Y363 Q364 L381 Q487 R490	P357-Y359 WeakPolarHBondContact O-CD2 3.31Å; Y359-Y363 HydrophobicContact CD1-CD1 4.1Å; Y359-Y363 HydrophobicContact CD1-CD2 4.38Å; Y359-Y363 HydrophobicContact CD1-CE1 4.24Å; Y359-Y363 HydrophobicContact CD1-CG 4.17Å; Y359-Y363 AromaticContact CG-CD1 3.82Å; Y359-Y363 HydrophobicContact CG-CD1 3.82Å; Y359-Y363 HydrophobicContact CG-CE1 4.06Å; Y359-Y363 HydrophobicContact CG-CG 4.26Å; Y359-Q364 PolarHBondContact O-NE2 3.3Å; Y359-L381 WeakPolarHBondContact O-CD1 3.39Å; Y359-Q487 HydrophobicContact CD1-CB 3.76Å; Y359-Q487 HydrophobicContact CD1-CG 3.96Å; Y359-Q487 HydrophobicContact CE1-CB 4.26Å; Y359-R490 HydrophobicContact CE1-CB 4.2Å; Y359-R490 HydrophobicContact CE1-CG 4.49Å; Y359-R490 WeakPolarHBondContact OH-CD 3.43Å; Y359-R490 PolarHBondContact OH-NH1 3.33Å
360	N	98.5	Very high	98.6	Very high	37 Å²	37	37.7 Å²	37.7	20%	0.198	19%	0.188	C	C	.	.			trans	-72.6	173.6	-171.4	73.3	14.8	0	0	0	113.7	T362 Y363 Q364 Q487 M502	N360-T362 VanDerWaalsContact C-N 3.27Å; N360-T362 PolarHBondContact O-N 3.41Å; N360-T362 WeakPolarHBondContact OD1-CB 3.29Å; N360-T362 PolarHBondContact OD1-N 3.16Å; N360-T362 VanDerWaalsContact OD1-N 3.14Å; N360-Y363 WeakPolarHBondContact O-CB 3.47Å; N360-Y363 PolarHBondContact O-N 2.98Å; N360-Y363 PolarHBondContact OD1-N 3.31Å; N360-Y363 VanDerWaalsContact OD1-N 3.12Å; N360-Q364 WeakPolarHBondContact O-CG 3.2Å; N360-Q364 PolarHBondContact O-N 3.24Å; N360-Q364 VanDerWaalsContact O-N 3.09Å; N360-Q487 VanDerWaalsContact CG-NE2 3.34Å; N360-Q487 PolarHBondContact OD1-NE2 2.74Å; N360-Q487 PolarHBondContact OD1-OE1 3.46Å; N360-M502 WeakPolarHBondContact ND2-CE 3.47Å
361	N	98.6	Very high	98.6	Very high	18 Å²	18	38.8 Å²	38.8	10%	0.096	19%	0.193	C	C	.	.	H	α-helix	trans	-53.1	-39.6	-179.7	-77.2	-31.2	0	0	0	113.4	Y363 Q364 I365 P380 L381 E382	N361-Y363 VanDerWaalsContact C-N 3.32Å; N361-Y363 PolarHBondContact O-N 3.37Å; N361-Q364 PolarHBondContact O-N 2.96Å; N361-Q364 VanDerWaalsContact O-N 3.12Å; N361-I365 VanDerWaalsContact O-CG1 3.28Å; N361-I365 WeakPolarHBondContact O-CG1 3.3Å; N361-I365 PolarHBondContact O-N 2.92Å; N361-P380 VanDerWaalsContact OD1-CD 3.28Å; N361-P380 WeakPolarHBondContact OD1-CD 3.22Å; N361-L381 VanDerWaalsContact OD1-CB 3.29Å; N361-L381 WeakPolarHBondContact OD1-CB 3.44Å; N361-L381 WeakPolarHBondContact OD1-CG 3.43Å; N361-L381 PolarHBondContact OD1-N 2.87Å; N361-E382 PolarHBondContact ND2-OE1 2.86Å; N361-E382 VanDerWaalsContact ND2-OE1 3.17Å; N361-E382 PolarHBondContact ND2-OE2 3.28Å
362	T	98.5	Very high	98.6	Very high	75 Å²	75	38.8 Å²	38.8	46%	0.46	19%	0.193	S	C	.	.	H	α-helix	trans	-59	-43.6	177.6	-57.4	0	0	0	0	111.5	N360 N366	N360-T362 VanDerWaalsContact C-N 3.27Å; N360-T362 PolarHBondContact O-N 3.41Å; N360-T362 WeakPolarHBondContact OD1-CB 3.29Å; N360-T362 PolarHBondContact OD1-N 3.16Å; N360-T362 VanDerWaalsContact OD1-N 3.14Å; T362-N366 WeakPolarHBondContact CG2-ND2 3.31Å; T362-N366 VanDerWaalsContact O-CB 3.28Å; T362-N366 WeakPolarHBondContact O-CB 3.36Å; T362-N366 PolarHBondContact O-N 3.06Å; T362-N366 PolarHBondContact O-ND2 3.44Å
363	Y	98.8	Very high	98.6	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.027	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-47.5	173.5	178.6	-95.3	0	0	0	111.2	Y359 N360 N361 I365 N366 A367 T369 Q487 R490 E491 E494 L496	Y359-Y363 HydrophobicContact CD1-CD1 4.1Å; Y359-Y363 HydrophobicContact CD1-CD2 4.38Å; Y359-Y363 HydrophobicContact CD1-CE1 4.24Å; Y359-Y363 HydrophobicContact CD1-CG 4.17Å; Y359-Y363 AromaticContact CG-CD1 3.82Å; Y359-Y363 HydrophobicContact CG-CD1 3.82Å; Y359-Y363 HydrophobicContact CG-CE1 4.06Å; Y359-Y363 HydrophobicContact CG-CG 4.26Å; N360-Y363 WeakPolarHBondContact O-CB 3.47Å; N360-Y363 PolarHBondContact O-N 2.98Å; N360-Y363 PolarHBondContact OD1-N 3.31Å; N360-Y363 VanDerWaalsContact OD1-N 3.12Å; N361-Y363 VanDerWaalsContact C-N 3.32Å; N361-Y363 PolarHBondContact O-N 3.37Å; Y363-I365 VanDerWaalsContact C-N 3.29Å; Y363-I365 PolarHBondContact O-N 2.73Å; Y363-N366 PolarHBondContact O-N 3.18Å; Y363-A367 HydrophobicContact CD1-CB 4.43Å; Y363-A367 HydrophobicContact CE1-CB 4.04Å; Y363-A367 HydrophobicContact CE2-CB 4.14Å; Y363-A367 WeakPolarHBondContact O-CB 3.41Å; Y363-A367 PolarHBondContact O-N 3.01Å; Y363-T369 HydrophobicContact CE1-CG2 4.22Å; Y363-Q487 HydrophobicContact CD2-CG 4.39Å; Y363-R490 HydrophobicContact CE2-CG 4.26Å; Y363-R490 PolarHBondContact OH-NE 2.88Å; Y363-R490 PolarHBondContact OH-NH2 2.98Å; Y363-E491 HydrophobicContact CD2-CG 3.74Å; Y363-E491 HydrophobicContact CE2-CG 4.26Å; Y363-E494 WeakPolarHBondContact CE2-OE2 3.26Å; Y363-E494 PolarHBondContact OH-OE1 3.33Å; Y363-E494 PolarHBondContact OH-OE2 3.46Å; Y363-L496 HydrophobicContact CD2-CD1 4.27Å; Y363-L496 HydrophobicContact CE2-CD1 3.89Å
364	Q	98.8	Very high	98.6	Very high	8 Å²	8	48.5 Å²	48.5	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-55.1	-46.6	-178.7	-55.4	-52.5	-14.5	0	0	111.9	Y359 N360 N361 R368 T369 A372 L381	Y359-Q364 PolarHBondContact O-NE2 3.3Å; N360-Q364 WeakPolarHBondContact O-CG 3.2Å; N360-Q364 PolarHBondContact O-N 3.24Å; N360-Q364 VanDerWaalsContact O-N 3.09Å; N361-Q364 PolarHBondContact O-N 2.96Å; N361-Q364 VanDerWaalsContact O-N 3.12Å; Q364-R368 WeakPolarHBondContact O-CA 3.41Å; Q364-R368 PolarHBondContact O-N 3.36Å; Q364-T369 PolarHBondContact O-N 2.96Å; Q364-T369 PolarHBondContact O-OG1 2.73Å; Q364-T369 PolarHBondContact OE1-OG1 2.9Å; Q364-A372 HydrophobicContact CB-CB 4.19Å; Q364-A372 WeakPolarHBondContact O-CB 3.41Å; Q364-L381 HydrophobicContact CG-CD1 4.47Å; Q364-L381 HydrophobicContact CG-CD2 4.06Å; Q364-L381 HydrophobicContact CG-CG 4.15Å
365	I	98.6	Very high	98.5	Very high	54 Å²	54	50.6 Å²	50.6	28%	0.277	25%	0.248	S	C	.	.	H	α-helix	trans	-68.9	-50.3	-178.3	-64.7	165.1	0	0	0	110.6	N361 Y363 A367 R368 A372 D377 P380	N361-I365 VanDerWaalsContact O-CG1 3.28Å; N361-I365 WeakPolarHBondContact O-CG1 3.3Å; N361-I365 PolarHBondContact O-N 2.92Å; Y363-I365 VanDerWaalsContact C-N 3.29Å; Y363-I365 PolarHBondContact O-N 2.73Å; I365-A367 PolarHBondContact O-N 2.88Å; I365-R368 PolarHBondContact O-N 3.08Å; I365-A372 HydrophobicContact CG1-CB 4.45Å; I365-D377 HydrophobicContact CD1-CB 4.11Å; I365-D377 HydrophobicContact CG1-CB 3.93Å; I365-D377 HydrophobicContact CG2-CB 4.28Å; I365-P380 HydrophobicContact CG1-CG 4.39Å
366	N	98.4	Very high	98.5	Very high	59 Å²	59	55 Å²	55	32%	0.316	27%	0.272	S	S	.	.	H	α-helix	trans	-64.5	-40.8	-177.7	-72.3	-21.2	0	0	0	112.3	T362 Y363 R368 L496	T362-N366 WeakPolarHBondContact CG2-ND2 3.31Å; T362-N366 VanDerWaalsContact O-CB 3.28Å; T362-N366 WeakPolarHBondContact O-CB 3.36Å; T362-N366 PolarHBondContact O-N 3.06Å; T362-N366 PolarHBondContact O-ND2 3.44Å; Y363-N366 PolarHBondContact O-N 3.18Å; N366-R368 PolarHBondContact O-N 3.37Å; N366-L496 HydrophobicContact CB-CD2 4.39Å
367	A	98.3	Very high	98.5	Very high	34 Å²	34	58.8 Å²	58.8	28%	0.281	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.7	176.1	0	0	0	0	0	113.1	Y363 I365 T369 L496	Y363-A367 HydrophobicContact CD1-CB 4.43Å; Y363-A367 HydrophobicContact CE1-CB 4.04Å; Y363-A367 HydrophobicContact CE2-CB 4.14Å; Y363-A367 WeakPolarHBondContact O-CB 3.41Å; Y363-A367 PolarHBondContact O-N 3.01Å; I365-A367 PolarHBondContact O-N 2.88Å; A367-T369 VanDerWaalsContact C-N 3.25Å; A367-T369 HydrophobicContact CB-CG2 3.82Å; A367-T369 PolarHBondContact O-N 3.19Å; A367-L496 HydrophobicContact CB-CD1 3.74Å
368	R	98.3	Very high	98.5	Very high	202 Å²	202	63.3 Å²	63.3	76%	0.762	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	46.1	-178.7	-56.1	178.3	-176.9	174.4	0.1	112.2	Q364 I365 N366	Q364-R368 WeakPolarHBondContact O-CA 3.41Å; Q364-R368 PolarHBondContact O-N 3.36Å; I365-R368 PolarHBondContact O-N 3.08Å; N366-R368 PolarHBondContact O-N 3.37Å
369	T	98.7	Very high	98.5	Very high	32 Å²	32	64 Å²	64	20%	0.196	32%	0.318	C	S	.	.			trans	-66.2	168.4	-177	68.5	0	0	0	0	111.3	Y363 Q364 A367 L371 A372 V373	Y363-T369 HydrophobicContact CE1-CG2 4.22Å; Q364-T369 PolarHBondContact O-N 2.96Å; Q364-T369 PolarHBondContact O-OG1 2.73Å; Q364-T369 PolarHBondContact OE1-OG1 2.9Å; A367-T369 VanDerWaalsContact C-N 3.25Å; A367-T369 HydrophobicContact CB-CG2 3.82Å; A367-T369 PolarHBondContact O-N 3.19Å; T369-L371 PolarHBondContact O-N 3.23Å; T369-A372 PolarHBondContact O-N 3.29Å; T369-A372 VanDerWaalsContact O-N 3.14Å; T369-V373 WeakPolarHBondContact O-CG2 3.3Å; T369-V373 PolarHBondContact O-N 3.03Å
370	E	98.6	Very high	98.5	Very high	141 Å²	141	61.7 Å²	61.7	66%	0.659	31%	0.309	S	S	*	.	H	α-helix	trans	-55.9	-36.2	177.9	-170.1	-174.6	168.5	0	0	112.4	R374	E370-R374 WeakPolarHBondContact O-CB 3.32Å; E370-R374 PolarHBondContact O-N 2.91Å; E370-R374 IonicContact OE1-CZ 3.17Å; E370-R374 IonicContact OE1-NH2 3.15Å; E370-R374 PolarHBondContact OE1-NH2 3.5Å
371	L	98.4	Very high	98.5	Very high	23 Å²	23	60 Å²	60	12%	0.12	30%	0.3	C	S	.	.	H	α-helix	trans	-66.6	-45.8	177.5	-66.4	-177.2	0	0	0	111.7	T369 V373 R374 Y375 P380 L381 H384	T369-L371 PolarHBondContact O-N 3.23Å; L371-V373 VanDerWaalsContact C-N 3.35Å; L371-V373 PolarHBondContact O-N 2.91Å; L371-R374 PolarHBondContact O-N 2.86Å; L371-Y375 HydrophobicContact CD2-CE2 4.22Å; L371-Y375 VanDerWaalsContact O-CD2 3.28Å; L371-Y375 WeakPolarHBondContact O-CD2 3.48Å; L371-Y375 PolarHBondContact O-N 3.18Å; L371-P380 HydrophobicContact CB-CB 4.32Å; L371-L381 HydrophobicContact CD1-CD2 3.95Å; L371-H384 HydrophobicContact CD1-CB 4.45Å; L371-H384 HydrophobicContact CD2-CB 4.14Å
372	A	98.6	Very high	98.5	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-44.6	177.3	0	0	0	0	0	111.8	Q364 I365 T369 R374 Y375 N376 D377	Q364-A372 HydrophobicContact CB-CB 4.19Å; Q364-A372 WeakPolarHBondContact O-CB 3.41Å; I365-A372 HydrophobicContact CG1-CB 4.45Å; T369-A372 PolarHBondContact O-N 3.29Å; T369-A372 VanDerWaalsContact O-N 3.14Å; A372-R374 PolarHBondContact O-N 3.44Å; A372-Y375 CarbonylContact O-C 3.26Å; A372-Y375 PolarHBondContact O-N 3.39Å; A372-N376 WeakPolarHBondContact O-CA 3.43Å; A372-N376 PolarHBondContact O-N 2.85Å; A372-D377 PolarHBondContact O-N 3.17Å; A372-D377 VanDerWaalsContact O-N 3.07Å
373	V	98.3	Very high	98.5	Very high	98 Å²	98	58.7 Å²	58.7	59%	0.594	29%	0.29	S	S	*	.	H	α-helix	trans	-62.6	-44	175.6	175.2	0	0	0	0	111.5	T369 L371 Y375	T369-V373 WeakPolarHBondContact O-CG2 3.3Å; T369-V373 PolarHBondContact O-N 3.03Å; L371-V373 VanDerWaalsContact C-N 3.35Å; L371-V373 PolarHBondContact O-N 2.91Å; V373-Y375 VanDerWaalsContact C-N 3.34Å; V373-Y375 PolarHBondContact O-N 3.03Å
374	R	98.5	Very high	98.5	Very high	116 Å²	116	59.2 Å²	59.2	44%	0.438	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-39.3	-179.4	-176.9	-177.6	-62.9	159.7	-0.4	112.4	E370 L371 A372	E370-R374 WeakPolarHBondContact O-CB 3.32Å; E370-R374 PolarHBondContact O-N 2.91Å; E370-R374 IonicContact OE1-CZ 3.17Å; E370-R374 IonicContact OE1-NH2 3.15Å; E370-R374 PolarHBondContact OE1-NH2 3.5Å; L371-R374 PolarHBondContact O-N 2.86Å; A372-R374 PolarHBondContact O-N 3.44Å
375	Y	98.6	Very high	98.5	Very high	44 Å²	44	58.9 Å²	58.9	17%	0.173	29%	0.291	C	S	.	.	H	α-helix	trans	-102.8	8.9	-175.8	-63.9	-64.9	0	0	0	114	L371 A372 V373 D377 I378 P380 N383 H384	L371-Y375 HydrophobicContact CD2-CE2 4.22Å; L371-Y375 VanDerWaalsContact O-CD2 3.28Å; L371-Y375 WeakPolarHBondContact O-CD2 3.48Å; L371-Y375 PolarHBondContact O-N 3.18Å; A372-Y375 CarbonylContact O-C 3.26Å; A372-Y375 PolarHBondContact O-N 3.39Å; V373-Y375 VanDerWaalsContact C-N 3.34Å; V373-Y375 PolarHBondContact O-N 3.03Å; Y375-D377 VanDerWaalsContact C-N 3.26Å; Y375-D377 PolarHBondContact O-N 3.34Å; Y375-I378 PolarHBondContact O-N 3.13Å; Y375-I378 VanDerWaalsContact O-N 3.11Å; Y375-P380 HydrophobicContact CD2-CB 4.25Å; Y375-P380 VanDerWaalsContact CD2-O 3.23Å; Y375-P380 WeakPolarHBondContact CD2-O 3.31Å; Y375-P380 WeakPolarHBondContact CE2-O 3.32Å; Y375-N383 HydrophobicContact CD1-CB 3.48Å; Y375-N383 VanDerWaalsContact CD1-CB 3.48Å; Y375-N383 HydrophobicContact CD2-CB 4.18Å; Y375-N383 HydrophobicContact CE1-CB 3.5Å; Y375-N383 VanDerWaalsContact CE1-CB 3.5Å; Y375-N383 HydrophobicContact CE2-CB 4.2Å; Y375-N383 HydrophobicContact CG-CB 3.83Å; Y375-H384 HydrophobicContact CE2-CB 3.86Å
376	N	98.2	Very high	98.6	Very high	125 Å²	125	56.7 Å²	56.7	67%	0.668	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	45.3	176.7	-50.9	-81.7	0	0	0	112.5	A372 I378	A372-N376 WeakPolarHBondContact O-CA 3.43Å; A372-N376 PolarHBondContact O-N 2.85Å; N376-I378 PolarHBondContact O-N 2.88Å; N376-I378 VanDerWaalsContact O-N 3.07Å
377	D	98.2	Very high	98.6	Very high	87 Å²	87	56.1 Å²	56.1	47%	0.465	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	8.8	-179.8	-52.9	-28.5	0	0	0	115.9	I365 A372 Y375	I365-D377 HydrophobicContact CD1-CB 4.11Å; I365-D377 HydrophobicContact CG1-CB 3.93Å; I365-D377 HydrophobicContact CG2-CB 4.28Å; A372-D377 PolarHBondContact O-N 3.17Å; A372-D377 VanDerWaalsContact O-N 3.07Å; Y375-D377 VanDerWaalsContact C-N 3.26Å; Y375-D377 PolarHBondContact O-N 3.34Å
378	I	98.3	Very high	98.6	Very high	118 Å²	118	54.9 Å²	54.9	61%	0.605	27%	0.273	S	S	*	.	S	Bend	trans	-97.9	105.5	-179.8	-61.4	163.6	0	0	0	109.2	Y375 N376 P380 N383	Y375-I378 PolarHBondContact O-N 3.13Å; Y375-I378 VanDerWaalsContact O-N 3.11Å; N376-I378 PolarHBondContact O-N 2.88Å; N376-I378 VanDerWaalsContact O-N 3.07Å; I378-P380 VanDerWaalsContact C-CD 3.47Å; I378-P380 VanDerWaalsContact C-N 3.35Å; I378-N383 PolarHBondContact O-ND2 3.42Å
379	S	98.4	Very high	98.6	Very high	17 Å²	17	45.2 Å²	45.2	12%	0.119	24%	0.236	C	C	.	.	S	Bend	trans	35.2	59.4	-177.2	-53.5	0	0	0	0	112.9	L381 E382 N383 D424	S379-L381 VanDerWaalsContact C-N 3.29Å; S379-L381 PolarHBondContact O-N 3.03Å; S379-E382 WeakPolarHBondContact CA-OE2 3.36Å; S379-E382 WeakPolarHBondContact CB-OE2 3.08Å; S379-E382 PolarHBondContact O-N 2.68Å; S379-N383 WeakPolarHBondContact O-CB 3.24Å; S379-N383 PolarHBondContact O-N 3.41Å; S379-N383 PolarHBondContact O-ND2 3.36Å; S379-D424 WeakPolarHBondContact CB-OD2 3.32Å; S379-D424 PolarHBondContact OG-OD2 3.43Å
380	P	98.8	Very high	98.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.5	-38.9	-170	-28.5	36	0	0	0	114.4	N361 I365 L371 Y375 I378 H384	N361-P380 VanDerWaalsContact OD1-CD 3.28Å; N361-P380 WeakPolarHBondContact OD1-CD 3.22Å; I365-P380 HydrophobicContact CG1-CG 4.39Å; L371-P380 HydrophobicContact CB-CB 4.32Å; Y375-P380 HydrophobicContact CD2-CB 4.25Å; Y375-P380 VanDerWaalsContact CD2-O 3.23Å; Y375-P380 WeakPolarHBondContact CD2-O 3.31Å; Y375-P380 WeakPolarHBondContact CE2-O 3.32Å; I378-P380 VanDerWaalsContact C-CD 3.47Å; I378-P380 VanDerWaalsContact C-N 3.35Å; P380-H384 WeakPolarHBondContact O-CB 3.4Å; P380-H384 PolarHBondContact O-N 3.06Å; P380-H384 VanDerWaalsContact O-N 3.14Å
381	L	98.9	Very high	98.6	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-71.9	-50.2	-178.8	-68.7	177.1	0	0	0	111.6	P357 Y359 N361 Q364 L371 S379 N383 H384 H385	P357-L381 VanDerWaalsContact CD-CD2 3.47Å; P357-L381 HydrophobicContact CG-CD2 3.64Å; Y359-L381 WeakPolarHBondContact O-CD1 3.39Å; N361-L381 VanDerWaalsContact OD1-CB 3.29Å; N361-L381 WeakPolarHBondContact OD1-CB 3.44Å; N361-L381 WeakPolarHBondContact OD1-CG 3.43Å; N361-L381 PolarHBondContact OD1-N 2.87Å; Q364-L381 HydrophobicContact CG-CD1 4.47Å; Q364-L381 HydrophobicContact CG-CD2 4.06Å; Q364-L381 HydrophobicContact CG-CG 4.15Å; L371-L381 HydrophobicContact CD1-CD2 3.95Å; S379-L381 VanDerWaalsContact C-N 3.29Å; S379-L381 PolarHBondContact O-N 3.03Å; L381-N383 VanDerWaalsContact C-N 3.28Å; L381-N383 PolarHBondContact O-N 2.91Å; L381-H384 CarbonylContact O-C 3.57Å; L381-H384 WeakPolarHBondContact O-CA 3.34Å; L381-H384 VanDerWaalsContact O-CB 3.28Å; L381-H384 WeakPolarHBondContact O-CB 3.41Å; L381-H384 PolarHBondContact O-N 3.33Å; L381-H385 VanDerWaalsContact C-CD2 3.45Å; L381-H385 PolarHBondContact O-CD2 3.31Å; L381-H385 PolarHBondContact O-CE1 3.39Å; L381-H385 PolarHBondContact O-N 2.98Å; L381-H385 PolarHBondContact O-ND1 2.9Å; L381-H385 PolarHBondContact O-NE2 3.26Å
382	E	98.9	Very high	98.7	Very high	18 Å²	18	43.4 Å²	43.4	8%	0.084	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-35.6	-177.2	-60.4	75.6	-166.1	0	0	111.4	N361 S379 C386 I420 L421 D424	N361-E382 PolarHBondContact ND2-OE1 2.86Å; N361-E382 VanDerWaalsContact ND2-OE1 3.17Å; N361-E382 PolarHBondContact ND2-OE2 3.28Å; S379-E382 WeakPolarHBondContact CA-OE2 3.36Å; S379-E382 WeakPolarHBondContact CB-OE2 3.08Å; S379-E382 PolarHBondContact O-N 2.68Å; E382-C386 WeakPolarHBondContact O-CB 3.06Å; E382-C386 PolarHBondContact O-N 3.35Å; E382-C386 VanDerWaalsContact O-N 3.1Å; E382-I420 WeakPolarHBondContact O-CG2 3.37Å; E382-L421 HydrophobicContact CB-CD2 3.86Å; E382-D424 HydrophobicContact CG-CB 3.9Å
383	N	98.8	Very high	98.7	Very high	47 Å²	47	43.6 Å²	43.6	25%	0.251	22%	0.22	S	C	.	.	H	α-helix	trans	-64.1	-40.4	169.9	-84.1	-73.8	0	0	0	112.3	Y375 I378 S379 L381 A387 L421	Y375-N383 HydrophobicContact CD1-CB 3.48Å; Y375-N383 VanDerWaalsContact CD1-CB 3.48Å; Y375-N383 HydrophobicContact CD2-CB 4.18Å; Y375-N383 HydrophobicContact CE1-CB 3.5Å; Y375-N383 VanDerWaalsContact CE1-CB 3.5Å; Y375-N383 HydrophobicContact CE2-CB 4.2Å; Y375-N383 HydrophobicContact CG-CB 3.83Å; I378-N383 PolarHBondContact O-ND2 3.42Å; S379-N383 WeakPolarHBondContact O-CB 3.24Å; S379-N383 PolarHBondContact O-N 3.41Å; S379-N383 PolarHBondContact O-ND2 3.36Å; L381-N383 VanDerWaalsContact C-N 3.28Å; L381-N383 PolarHBondContact O-N 2.91Å; N383-A387 WeakPolarHBondContact O-CB 3.27Å; N383-A387 PolarHBondContact O-N 2.9Å; N383-L421 HydrophobicContact CB-CD2 4.39Å
384	H	98.9	Very high	98.6	Very high	18 Å²	18	42.3 Å²	42.3	8%	0.083	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-47.6	176.9	-176.2	65.8	0	0	0	111.8	D355 L371 Y375 P380 L381 C386 A387 V388	D355-H384 IonicContact OD2-CD2 3.66Å; D355-H384 IonicContact OD2-CE1 3.59Å; D355-H384 IonicContact OD2-NE2 3.61Å; D355-H384 PolarHBondContact OD2-NE2 3.13Å; L371-H384 HydrophobicContact CD1-CB 4.45Å; L371-H384 HydrophobicContact CD2-CB 4.14Å; Y375-H384 HydrophobicContact CE2-CB 3.86Å; P380-H384 WeakPolarHBondContact O-CB 3.4Å; P380-H384 PolarHBondContact O-N 3.06Å; P380-H384 VanDerWaalsContact O-N 3.14Å; L381-H384 CarbonylContact O-C 3.57Å; L381-H384 WeakPolarHBondContact O-CA 3.34Å; L381-H384 VanDerWaalsContact O-CB 3.28Å; L381-H384 WeakPolarHBondContact O-CB 3.41Å; L381-H384 PolarHBondContact O-N 3.33Å; H384-C386 VanDerWaalsContact C-N 3.29Å; H384-C386 PolarHBondContact O-N 2.95Å; H384-A387 PolarHBondContact O-N 3.43Å; H384-A387 VanDerWaalsContact O-N 3.12Å; H384-V388 WeakPolarHBondContact O-CG2 3.5Å; H384-V388 PolarHBondContact O-N 3.43Å
385	H	98.9	Very high	98.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.3	-46.9	176.6	-53	-30.8	0	0	0	110.8	H352 D353 L354 H356 L381 V388 A389 I420	H352-H385 WeakPolarHBondContact O-CB 3.3Å; H352-H385 PolarHBondContact O-CD2 2.81Å; D353-H385 IonicContact OD1-CD2 3.66Å; D353-H385 IonicContact OD1-NE2 3.92Å; L354-H385 PolarHBondContact O-ND1 2.8Å; H356-H385 AromaticContact CD2-CE1 3.78Å; H356-H385 AromaticContact CD2-NE2 3.64Å; L381-H385 VanDerWaalsContact C-CD2 3.45Å; L381-H385 PolarHBondContact O-CD2 3.31Å; L381-H385 PolarHBondContact O-CE1 3.39Å; L381-H385 PolarHBondContact O-N 2.98Å; L381-H385 PolarHBondContact O-ND1 2.9Å; L381-H385 PolarHBondContact O-NE2 3.26Å; H385-V388 PolarHBondContact O-N 3.44Å; H385-A389 WeakPolarHBondContact O-CB 3.37Å; H385-A389 PolarHBondContact O-N 3.49Å; H385-I420 HydrophobicContact CB-CG2 4.16Å
386	C	98.9	Very high	98.6	Very high	9 Å²	9	43.8 Å²	43.8	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-42.4	177.4	-162.5	0	0	0	0	112.5	E382 H384 V388 A389 F390 I417 I420	E382-C386 WeakPolarHBondContact O-CB 3.06Å; E382-C386 PolarHBondContact O-N 3.35Å; E382-C386 VanDerWaalsContact O-N 3.1Å; H384-C386 VanDerWaalsContact C-N 3.29Å; H384-C386 PolarHBondContact O-N 2.95Å; C386-V388 PolarHBondContact O-N 3.3Å; C386-A389 WeakPolarHBondContact O-CB 3.39Å; C386-A389 PolarHBondContact O-N 3.39Å; C386-F390 VanDerWaalsContact O-CD2 3.29Å; C386-F390 WeakPolarHBondContact O-CD2 3.48Å; C386-F390 PolarHBondContact O-N 2.99Å; C386-F390 VanDerWaalsContact O-N 3.14Å; C386-I417 WeakPolarHBondContact SG-CG1 3.27Å; C386-I420 HydrophobicContact CB-CB 4.42Å; C386-I420 HydrophobicContact CB-CD1 4.3Å; C386-I420 HydrophobicContact CB-CG2 4.08Å
387	A	98.8	Very high	98.4	Very high	47 Å²	47	42.2 Å²	42.2	39%	0.388	23%	0.23	S	C	.	.	H	α-helix	trans	-62	-43.4	176.5	0	0	0	0	0	111.8	N383 H384 F390 R391	N383-A387 WeakPolarHBondContact O-CB 3.27Å; N383-A387 PolarHBondContact O-N 2.9Å; H384-A387 PolarHBondContact O-N 3.43Å; H384-A387 VanDerWaalsContact O-N 3.12Å; A387-F390 PolarHBondContact O-N 3.2Å; A387-R391 WeakPolarHBondContact O-CB 3.41Å; A387-R391 PolarHBondContact O-N 3.47Å
388	V	98.8	Very high	98.4	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-43.8	175.8	173.8	0	0	0	0	111	N305 L354 D355 H384 H385 C386 F390 R391 I392	N305-V388 HydrophobicContact CB-CG1 4.39Å; L354-V388 HydrophobicContact CB-CB 4.21Å; L354-V388 HydrophobicContact CB-CG1 3.95Å; L354-V388 HydrophobicContact CD1-CG1 4.37Å; D355-V388 HydrophobicContact CB-CG1 4.48Å; D355-V388 HydrophobicContact CB-CG2 4.15Å; H384-V388 WeakPolarHBondContact O-CG2 3.5Å; H384-V388 PolarHBondContact O-N 3.43Å; H385-V388 PolarHBondContact O-N 3.44Å; C386-V388 PolarHBondContact O-N 3.3Å; V388-F390 VanDerWaalsContact C-N 3.33Å; V388-F390 PolarHBondContact O-N 2.94Å; V388-R391 WeakPolarHBondContact O-CB 3.2Å; V388-R391 PolarHBondContact O-N 3.42Å; V388-I392 HydrophobicContact CG1-CD1 4.11Å; V388-I392 WeakPolarHBondContact O-CG1 3.37Å; V388-I392 PolarHBondContact O-N 3.14Å
389	A	98.9	Very high	98.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-54.5	-48.8	177.3	0	0	0	0	0	112	C351 L354 H385 C386 I392 L393	C351-A389 HydrophobicContact CB-CB 3.7Å; L354-A389 HydrophobicContact CD1-CB 3.75Å; H385-A389 WeakPolarHBondContact O-CB 3.37Å; H385-A389 PolarHBondContact O-N 3.49Å; C386-A389 WeakPolarHBondContact O-CB 3.39Å; C386-A389 PolarHBondContact O-N 3.39Å; A389-I392 PolarHBondContact O-N 3.41Å; A389-L393 WeakPolarHBondContact O-CG 3.48Å; A389-L393 PolarHBondContact O-N 2.87Å
390	F	98.8	Very high	98.5	Very high	17 Å²	17	33.7 Å²	33.7	8%	0.075	19%	0.185	C	C	.	.	H	α-helix	trans	-78.2	-22.3	-179.7	-74.2	-71.2	0	0	0	114.2	C386 A387 V388 L393 A394 F409 R413 M416 I417	C386-F390 VanDerWaalsContact O-CD2 3.29Å; C386-F390 WeakPolarHBondContact O-CD2 3.48Å; C386-F390 PolarHBondContact O-N 2.99Å; C386-F390 VanDerWaalsContact O-N 3.14Å; A387-F390 PolarHBondContact O-N 3.2Å; V388-F390 VanDerWaalsContact C-N 3.33Å; V388-F390 PolarHBondContact O-N 2.94Å; F390-L393 HydrophobicContact CD1-CD1 3.87Å; F390-L393 HydrophobicContact CE1-CD1 3.97Å; F390-A394 WeakPolarHBondContact O-CB 3.43Å; F390-A394 PolarHBondContact O-N 2.83Å; F390-F409 HydrophobicContact CD1-CZ 4.49Å; F390-R413 HydrophobicContact CD1-CG 4.39Å; F390-R413 VanDerWaalsContact CD2-NH1 3.27Å; F390-R413 HydrophobicContact CE1-CB 3.91Å; F390-R413 HydrophobicContact CE1-CG 3.79Å; F390-R413 HydrophobicContact CE2-CG 4.1Å; F390-R413 HydrophobicContact CZ-CB 3.93Å; F390-R413 HydrophobicContact CZ-CG 3.66Å; F390-M416 HydrophobicContact CE1-SD 4.37Å; F390-M416 HydrophobicContact CE2-CB 4.32Å; F390-M416 HydrophobicContact CZ-CB 3.95Å; F390-M416 HydrophobicContact CZ-CE 4.11Å; F390-M416 HydrophobicContact CZ-SD 3.92Å; F390-I417 HydrophobicContact CE2-CG1 4Å
391	R	98.8	Very high	98.5	Very high	136 Å²	136	33.9 Å²	33.9	51%	0.513	19%	0.186	S	C	.	.	H	α-helix	trans	-63.8	-46.3	166.5	-178.8	-172.7	63.8	142.2	1.7	110.5	N305 A387 V388 L393 A394	N305-R391 PolarHBondContact OD1-NH2 3.33Å; A387-R391 WeakPolarHBondContact O-CB 3.41Å; A387-R391 PolarHBondContact O-N 3.47Å; V388-R391 WeakPolarHBondContact O-CB 3.2Å; V388-R391 PolarHBondContact O-N 3.42Å; R391-L393 VanDerWaalsContact C-N 3.34Å; R391-L393 PolarHBondContact O-N 2.9Å; R391-A394 WeakPolarHBondContact O-CB 3.32Å; R391-A394 PolarHBondContact O-N 3.48Å; R391-A394 VanDerWaalsContact O-N 3.14Å
392	I	98.6	Very high	98.5	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-46	175.7	-67	169.2	0	0	0	110.5	C301 V302 N305 L354 V388 A389 A394 E395 C398	C301-I392 HydrophobicContact CB-CG2 4.08Å; V302-I392 HydrophobicContact CG2-CD1 4.38Å; N305-I392 HydrophobicContact CB-CD1 4.02Å; L354-I392 HydrophobicContact CD1-CD1 4.1Å; L354-I392 HydrophobicContact CD2-CD1 4.13Å; V388-I392 HydrophobicContact CG1-CD1 4.11Å; V388-I392 WeakPolarHBondContact O-CG1 3.37Å; V388-I392 PolarHBondContact O-N 3.14Å; A389-I392 PolarHBondContact O-N 3.41Å; I392-A394 PolarHBondContact O-N 3.26Å; I392-E395 WeakPolarHBondContact O-CB 3.31Å; I392-E395 PolarHBondContact O-N 3.42Å; I392-C398 HydrophobicContact CG2-CB 4.01Å; I392-C398 WeakPolarHBondContact O-CB 3.46Å
393	L	98.6	Very high	98.4	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-69.3	-15.4	179.1	-70.1	164.6	0	0	0	113.9	A389 F390 R391 E395 N399 I400 F401 M416	A389-L393 WeakPolarHBondContact O-CG 3.48Å; A389-L393 PolarHBondContact O-N 2.87Å; F390-L393 HydrophobicContact CD1-CD1 3.87Å; F390-L393 HydrophobicContact CE1-CD1 3.97Å; R391-L393 VanDerWaalsContact C-N 3.34Å; R391-L393 PolarHBondContact O-N 2.9Å; L393-E395 VanDerWaalsContact C-N 3.34Å; L393-N399 VanDerWaalsContact O-CB 3.23Å; L393-N399 WeakPolarHBondContact O-CB 3.47Å; L393-I400 HydrophobicContact CD2-CD1 4.42Å; L393-I400 HydrophobicContact CD2-CG1 3.61Å; L393-F401 HydrophobicContact CD1-CD2 4.04Å; L393-F401 HydrophobicContact CD1-CE2 3.62Å; L393-F401 HydrophobicContact CD2-CD2 4.07Å; L393-F401 HydrophobicContact CD2-CE2 4.07Å; L393-F401 HydrophobicContact CG-CE2 4.49Å; L393-M416 HydrophobicContact CD1-CE 4.45Å
394	A	98.1	Very high	98.4	Very high	70 Å²	70	39.3 Å²	39.3	58%	0.579	22%	0.22	S	C	*	.	H	α-helix	trans	-76.9	-23.6	173.8	0	0	0	0	0	112.2	F390 R391 I392 P396	F390-A394 WeakPolarHBondContact O-CB 3.43Å; F390-A394 PolarHBondContact O-N 2.83Å; R391-A394 WeakPolarHBondContact O-CB 3.32Å; R391-A394 PolarHBondContact O-N 3.48Å; R391-A394 VanDerWaalsContact O-N 3.14Å; I392-A394 PolarHBondContact O-N 3.26Å; A394-P396 WeakPolarHBondContact O-CD 3.15Å
395	E	97.8	Very high	98.4	Very high	93 Å²	93	42.8 Å²	42.8	44%	0.435	24%	0.244	S	C	.	.	S	Bend	trans	-71	118.8	174.2	-59.8	-55.2	150.3	0	0	109.9	I392 L393 E397 C398 N399	I392-E395 WeakPolarHBondContact O-CB 3.31Å; I392-E395 PolarHBondContact O-N 3.42Å; L393-E395 VanDerWaalsContact C-N 3.34Å; E395-E397 PolarHBondContact O-N 3.45Å; E395-E397 VanDerWaalsContact O-N 3.09Å; E395-C398 HydrophobicContact CB-CB 4.32Å; E395-C398 CarbonylContact O-C 3.6Å; E395-C398 PolarHBondContact O-N 3.12Å; E395-N399 PolarHBondContact O-N 3.41Å
396	P	97.6	Very high	98.3	Very high	99 Å²	99	47.4 Å²	47.4	64%	0.643	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.6	-171.7	-28	35.7	0	0	0	114.7	A394 C398	A394-P396 WeakPolarHBondContact O-CD 3.15Å; P396-C398 VanDerWaalsContact C-N 3.31Å
397	E	95.8	Very high	98.3	Very high	91 Å²	91	52.4 Å²	52.4	43%	0.425	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-13.8	179	69.3	-86.1	-158.5	0	0	114.7	R297 E395	R297-E397 WeakPolarHBondContact CB-O 3.45Å; R297-E397 PolarHBondContact NE-O 2.98Å; E395-E397 PolarHBondContact O-N 3.45Å; E395-E397 VanDerWaalsContact O-N 3.09Å
398	C	98.1	Very high	98.3	Very high	7 Å²	7	51.1 Å²	51.1	5%	0.047	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-3.2	176.4	-64.1	0	0	0	0	112.6	W298 I392 E395 P396 I400	W298-C398 HydrophobicContact CB-CB 4.38Å; W298-C398 WeakPolarHBondContact CB-O 3.38Å; W298-C398 VanDerWaalsContact CD1-O 3.3Å; I392-C398 HydrophobicContact CG2-CB 4.01Å; I392-C398 WeakPolarHBondContact O-CB 3.46Å; E395-C398 HydrophobicContact CB-CB 4.32Å; E395-C398 CarbonylContact O-C 3.6Å; E395-C398 PolarHBondContact O-N 3.12Å; P396-C398 VanDerWaalsContact C-N 3.31Å; C398-I400 PolarHBondContact O-N 2.94Å
399	N	98.7	Very high	98.3	Very high	35 Å²	35	53.9 Å²	53.9	19%	0.187	30%	0.304	C	S	.	.			trans	-77.8	88.4	-176.5	-172.2	-3.6	0	0	0	111.9	T294 L393 E395 F401 S402	T294-N399 WeakPolarHBondContact CG2-O 3.43Å; L393-N399 VanDerWaalsContact O-CB 3.23Å; L393-N399 WeakPolarHBondContact O-CB 3.47Å; E395-N399 PolarHBondContact O-N 3.41Å; N399-F401 PolarHBondContact O-N 3.38Å; N399-F401 VanDerWaalsContact O-N 3.11Å; N399-F401 WeakPolarHBondContact OD1-CA 3.42Å; N399-F401 WeakPolarHBondContact OD1-CB 3.32Å; N399-F401 PolarHBondContact OD1-N 2.87Å; N399-S402 WeakPolarHBondContact O-CB 3.16Å; N399-S402 PolarHBondContact O-N 2.93Å; N399-S402 PolarHBondContact OD1-N 2.8Å
400	I	98.9	Very high	98.3	Very high	2 Å²	2	60 Å²	60	1%	0.01	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-11.3	174.1	55.8	163	0	0	0	113.6	Y279 I290 T294 L295 W298 T347 L393 C398	Y279-I400 HydrophobicContact CE1-CD1 4.12Å; I290-I400 HydrophobicContact CG2-CB 3.8Å; I290-I400 HydrophobicContact CG2-CG2 3.89Å; T294-I400 HydrophobicContact CG2-CG2 4.39Å; L295-I400 HydrophobicContact CB-CG2 4.4Å; L295-I400 HydrophobicContact CD1-CG2 4.25Å; W298-I400 HydrophobicContact CB-CG2 3.63Å; W298-I400 HydrophobicContact CD2-CD1 3.92Å; W298-I400 HydrophobicContact CD2-CG1 4.27Å; W298-I400 HydrophobicContact CD2-CG2 4.02Å; W298-I400 HydrophobicContact CE3-CD1 3.98Å; W298-I400 HydrophobicContact CE3-CG2 4.13Å; W298-I400 HydrophobicContact CG-CG1 4.37Å; W298-I400 HydrophobicContact CG-CG2 3.8Å; W298-I400 HydrophobicContact CH2-CD1 4.19Å; W298-I400 HydrophobicContact CZ2-CD1 4.13Å; W298-I400 HydrophobicContact CZ3-CD1 4.11Å; T347-I400 HydrophobicContact CG2-CD1 4.35Å; L393-I400 HydrophobicContact CD2-CD1 4.42Å; L393-I400 HydrophobicContact CD2-CG1 3.61Å; C398-I400 PolarHBondContact O-N 2.94Å
401	F	98.8	Very high	98.3	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.018	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	9.8	178.8	-53.3	-34.1	0	0	0	113.4	L343 T347 L393 N399 N403 I404 F409 I412 M416	L343-F401 HydrophobicContact CD1-CE1 4.06Å; L343-F401 HydrophobicContact CD2-CD1 4.31Å; L343-F401 HydrophobicContact CD2-CE1 3.78Å; L343-F401 HydrophobicContact CG-CE1 4.06Å; T347-F401 HydrophobicContact CG2-CZ 3.94Å; L393-F401 HydrophobicContact CD1-CD2 4.04Å; L393-F401 HydrophobicContact CD1-CE2 3.62Å; L393-F401 HydrophobicContact CD2-CD2 4.07Å; L393-F401 HydrophobicContact CD2-CE2 4.07Å; L393-F401 HydrophobicContact CG-CE2 4.49Å; N399-F401 PolarHBondContact O-N 3.38Å; N399-F401 VanDerWaalsContact O-N 3.11Å; N399-F401 WeakPolarHBondContact OD1-CA 3.42Å; N399-F401 WeakPolarHBondContact OD1-CB 3.32Å; N399-F401 PolarHBondContact OD1-N 2.87Å; F401-N403 PolarHBondContact O-N 2.97Å; F401-I404 HydrophobicContact CB-CB 4.49Å; F401-I404 HydrophobicContact CB-CD1 3.9Å; F401-I404 HydrophobicContact CB-CG1 4.28Å; F401-I404 HydrophobicContact CD1-CD1 3.5Å; F401-I404 VanDerWaalsContact CD1-CD1 3.5Å; F401-I404 HydrophobicContact CE1-CD1 4.36Å; F401-I404 HydrophobicContact CG-CD1 3.98Å; F401-I404 WeakPolarHBondContact O-CB 3.3Å; F401-I404 PolarHBondContact O-N 2.91Å; F401-F409 HydrophobicContact CB-CD2 3.98Å; F401-F409 HydrophobicContact CB-CE2 4.45Å; F401-F409 HydrophobicContact CD2-CD2 4.05Å; F401-F409 HydrophobicContact CD2-CE2 4.02Å; F401-F409 HydrophobicContact CG-CD2 4.42Å; F401-I412 HydrophobicContact CD2-CG2 4.43Å; F401-I412 HydrophobicContact CE1-CG2 4.36Å; F401-I412 HydrophobicContact CE2-CG2 3.78Å; F401-I412 HydrophobicContact CZ-CG2 3.74Å; F401-M416 HydrophobicContact CE2-SD 4.01Å; F401-M416 HydrophobicContact CZ-SD 4.13Å
402	S	98.4	Very high	98.3	Very high	65 Å²	65	57.8 Å²	57.8	46%	0.455	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.8	-174.7	71.5	0	0	0	0	114.5	N399	N399-S402 WeakPolarHBondContact O-CB 3.16Å; N399-S402 PolarHBondContact O-N 2.93Å; N399-S402 PolarHBondContact OD1-N 2.8Å
403	N	98	Very high	98.3	Very high	97 Å²	97	62.3 Å²	62.3	52%	0.519	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	3.1	-178.5	-60.9	-31.7	0	0	0	112.9	S289 F401	S289-N403 PolarHBondContact O-ND2 2.91Å; F401-N403 PolarHBondContact O-N 2.97Å
404	I	98.5	Very high	98.3	Very high	20 Å²	20	67.6 Å²	67.6	10%	0.103	37%	0.367	C	S	.	.	S	Bend	trans	-86.4	133.4	177.7	-57.3	-176.1	0	0	0	108.8	F288 L343 F401 I412	F288-I404 HydrophobicContact CB-CD1 4.04Å; F288-I404 HydrophobicContact CB-CG1 4.24Å; F288-I404 HydrophobicContact CD1-CD1 3.74Å; F288-I404 HydrophobicContact CD1-CG1 4.2Å; F288-I404 HydrophobicContact CG-CD1 4.17Å; L343-I404 HydrophobicContact CD2-CD1 4.05Å; F401-I404 HydrophobicContact CB-CB 4.49Å; F401-I404 HydrophobicContact CB-CD1 3.9Å; F401-I404 HydrophobicContact CB-CG1 4.28Å; F401-I404 HydrophobicContact CD1-CD1 3.5Å; F401-I404 VanDerWaalsContact CD1-CD1 3.5Å; F401-I404 HydrophobicContact CE1-CD1 4.36Å; F401-I404 HydrophobicContact CG-CD1 3.98Å; F401-I404 WeakPolarHBondContact O-CB 3.3Å; F401-I404 PolarHBondContact O-N 2.91Å; I404-I412 HydrophobicContact CD1-CD1 3.5Å; I404-I412 VanDerWaalsContact CD1-CD1 3.5Å; I404-I412 HydrophobicContact CG2-CD1 4.11Å
405	P	98.2	Very high	98.4	Very high	90 Å²	90	64.9 Å²	64.9	58%	0.584	35%	0.346	S	S	*	.			trans	-57.2	151.6	175.4	-24.7	34	0	0	0	112.3	D407 G408 F409	P405-D407 VanDerWaalsContact C-N 3.25Å; P405-D407 PolarHBondContact O-N 3.08Å; P405-D407 VanDerWaalsContact O-N 3.1Å; P405-G408 PolarHBondContact O-N 3.47Å; P405-F409 PolarHBondContact O-N 3.09Å
406	P	98.4	Very high	98.4	Very high	97 Å²	97	60.4 Å²	60.4	63%	0.63	33%	0.325	S	S	*	.	H	α-helix	trans	-53.7	-37	-175.3	-29.4	35.8	0	0	0	114.9	F409 K410	P406-F409 PolarHBondContact O-N 3.45Å; P406-K410 WeakPolarHBondContact O-CG 3.43Å; P406-K410 PolarHBondContact O-N 3.37Å
407	D	98.4	Very high	98.5	Very high	115 Å²	115	57.6 Å²	57.6	62%	0.615	30%	0.304	S	S	*	.	H	α-helix	trans	-73.4	-36.6	179.9	-64.9	-27.2	0	0	0	112.3	P405 K410 Q411	P405-D407 VanDerWaalsContact C-N 3.25Å; P405-D407 PolarHBondContact O-N 3.08Å; P405-D407 VanDerWaalsContact O-N 3.1Å; D407-K410 PolarHBondContact O-N 3.49Å; D407-K410 IonicContact OD1-NZ 2.84Å; D407-K410 PolarHBondContact OD1-NZ 2.94Å; D407-Q411 PolarHBondContact O-N 2.91Å
408	G	98.5	Very high	98.6	Very high	20 Å²	20	55 Å²	55	21%	0.206	30%	0.295	C	S	.	.	H	α-helix	trans	-63.2	-41.8	170	0	0	0	0	0	111.8	P405 K410 Q411 I412	P405-G408 PolarHBondContact O-N 3.47Å; G408-K410 PolarHBondContact O-N 3.32Å; G408-Q411 PolarHBondContact O-N 3.35Å; G408-I412 WeakPolarHBondContact O-CD1 3.4Å; G408-I412 VanDerWaalsContact O-CG1 3.3Å; G408-I412 WeakPolarHBondContact O-CG1 3.19Å; G408-I412 PolarHBondContact O-N 2.84Å
409	F	98.8	Very high	98.7	Very high	65 Å²	65	54.9 Å²	54.9	29%	0.285	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-42.9	174.6	175	-96.4	0	0	0	112.2	F390 F401 P405 P406 Q411 I412 R413	F390-F409 HydrophobicContact CD1-CZ 4.49Å; F401-F409 HydrophobicContact CB-CD2 3.98Å; F401-F409 HydrophobicContact CB-CE2 4.45Å; F401-F409 HydrophobicContact CD2-CD2 4.05Å; F401-F409 HydrophobicContact CD2-CE2 4.02Å; F401-F409 HydrophobicContact CG-CD2 4.42Å; P405-F409 PolarHBondContact O-N 3.09Å; P406-F409 PolarHBondContact O-N 3.45Å; F409-Q411 VanDerWaalsContact C-N 3.34Å; F409-Q411 PolarHBondContact O-N 2.85Å; F409-I412 PolarHBondContact O-N 3.06Å; F409-R413 VanDerWaalsContact O-CB 3.24Å; F409-R413 WeakPolarHBondContact O-CB 3.39Å; F409-R413 PolarHBondContact O-N 3.15Å
410	K	98.7	Very high	98.7	Very high	128 Å²	128	53.2 Å²	53.2	56%	0.557	28%	0.284	S	S	*	.	H	α-helix	trans	-60.5	-43.4	175.8	-71	170.1	-162.5	156.2	0	111.7	P406 D407 G408 R413 Q414	P406-K410 WeakPolarHBondContact O-CG 3.43Å; P406-K410 PolarHBondContact O-N 3.37Å; D407-K410 PolarHBondContact O-N 3.49Å; D407-K410 IonicContact OD1-NZ 2.84Å; D407-K410 PolarHBondContact OD1-NZ 2.94Å; G408-K410 PolarHBondContact O-N 3.32Å; K410-R413 PolarHBondContact O-N 3.38Å; K410-Q414 WeakPolarHBondContact O-CB 3.21Å; K410-Q414 PolarHBondContact O-N 3.25Å
411	Q	98.8	Very high	98.7	Very high	106 Å²	106	54.7 Å²	54.7	50%	0.495	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-48.8	177.1	-174.5	-174.9	19.2	0	0	111.4	T340 D407 G408 F409 R413 Q414 G415	T340-Q411 HydrophobicContact CG2-CG 4.5Å; D407-Q411 PolarHBondContact O-N 2.91Å; G408-Q411 PolarHBondContact O-N 3.35Å; F409-Q411 VanDerWaalsContact C-N 3.34Å; F409-Q411 PolarHBondContact O-N 2.85Å; Q411-R413 VanDerWaalsContact C-N 3.34Å; Q411-R413 PolarHBondContact O-N 3.28Å; Q411-Q414 PolarHBondContact O-N 2.83Å; Q411-G415 PolarHBondContact O-N 3.5Å
412	I	98.9	Very high	98.7	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-47	177.6	-68.3	161	0	0	0	110.5	T340 L343 I344 F401 I404 G408 F409 Q414 G415 M416	T340-I412 HydrophobicContact CG2-CD1 4.46Å; T340-I412 HydrophobicContact CG2-CG1 3.75Å; L343-I412 HydrophobicContact CD2-CD1 3.66Å; L343-I412 HydrophobicContact CD2-CG1 4.32Å; I344-I412 HydrophobicContact CG1-CB 4.3Å; I344-I412 HydrophobicContact CG1-CG1 4.28Å; I344-I412 HydrophobicContact CG1-CG2 4.18Å; F401-I412 HydrophobicContact CD2-CG2 4.43Å; F401-I412 HydrophobicContact CE1-CG2 4.36Å; F401-I412 HydrophobicContact CE2-CG2 3.78Å; F401-I412 HydrophobicContact CZ-CG2 3.74Å; I404-I412 HydrophobicContact CD1-CD1 3.5Å; I404-I412 VanDerWaalsContact CD1-CD1 3.5Å; I404-I412 HydrophobicContact CG2-CD1 4.11Å; G408-I412 WeakPolarHBondContact O-CD1 3.4Å; G408-I412 VanDerWaalsContact O-CG1 3.3Å; G408-I412 WeakPolarHBondContact O-CG1 3.19Å; G408-I412 PolarHBondContact O-N 2.84Å; F409-I412 PolarHBondContact O-N 3.06Å; I412-Q414 PolarHBondContact O-N 2.98Å; I412-G415 PolarHBondContact O-N 2.94Å; I412-M416 HydrophobicContact CG2-CG 4.32Å; I412-M416 HydrophobicContact CG2-SD 3.85Å; I412-M416 WeakPolarHBondContact O-CG 3.38Å; I412-M416 PolarHBondContact O-N 2.95Å
413	R	98.9	Very high	98.7	Very high	100 Å²	100	51.7 Å²	51.7	38%	0.377	27%	0.271	S	S	.	.	H	α-helix	trans	-57.8	-49	178.8	176.1	176.1	176.4	84.3	3.6	111.5	F390 F409 K410 Q411 M416 I417	F390-R413 HydrophobicContact CD1-CG 4.39Å; F390-R413 VanDerWaalsContact CD2-NH1 3.27Å; F390-R413 HydrophobicContact CE1-CB 3.91Å; F390-R413 HydrophobicContact CE1-CG 3.79Å; F390-R413 HydrophobicContact CE2-CG 4.1Å; F390-R413 HydrophobicContact CZ-CB 3.93Å; F390-R413 HydrophobicContact CZ-CG 3.66Å; F409-R413 VanDerWaalsContact O-CB 3.24Å; F409-R413 WeakPolarHBondContact O-CB 3.39Å; F409-R413 PolarHBondContact O-N 3.15Å; K410-R413 PolarHBondContact O-N 3.38Å; Q411-R413 VanDerWaalsContact C-N 3.34Å; Q411-R413 PolarHBondContact O-N 3.28Å; R413-M416 PolarHBondContact O-N 3.26Å; R413-I417 HydrophobicContact CG-CD1 3.74Å; R413-I417 HydrophobicContact CG-CG1 4.49Å; R413-I417 WeakPolarHBondContact O-CD1 3.38Å; R413-I417 VanDerWaalsContact O-CG1 3.23Å; R413-I417 WeakPolarHBondContact O-CG1 3.2Å; R413-I417 PolarHBondContact O-N 2.97Å
414	Q	98.9	Very high	98.7	Very high	115 Å²	115	47.8 Å²	47.8	54%	0.537	25%	0.25	S	S	.	.	H	α-helix	trans	-61.7	-44.8	178.9	-176.6	57.7	56.9	0	0	111.4	K410 Q411 I412 I417 T418	K410-Q414 WeakPolarHBondContact O-CB 3.21Å; K410-Q414 PolarHBondContact O-N 3.25Å; Q411-Q414 PolarHBondContact O-N 2.83Å; I412-Q414 PolarHBondContact O-N 2.98Å; Q414-I417 PolarHBondContact O-N 2.87Å; Q414-T418 PolarHBondContact NE2-OG1 2.86Å; Q414-T418 PolarHBondContact O-N 2.85Å; Q414-T418 PolarHBondContact O-OG1 2.75Å; Q414-T418 VanDerWaalsContact O-OG1 3.12Å
415	G	98.9	Very high	98.7	Very high	12 Å²	12	50.2 Å²	50.2	12%	0.124	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-50.1	177.1	0	0	0	0	0	112.3	Q411 I412 I417 T418 L419	Q411-G415 PolarHBondContact O-N 3.5Å; I412-G415 PolarHBondContact O-N 2.94Å; G415-I417 PolarHBondContact O-N 2.92Å; G415-T418 PolarHBondContact O-N 2.79Å; G415-L419 WeakPolarHBondContact O-CG 3.4Å; G415-L419 PolarHBondContact O-N 3.35Å
416	M	98.9	Very high	98.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-41.9	178.5	-71.9	177.4	64.7	0	0	112.6	I344 T347 A348 F390 L393 F401 I412 R413 T418 L419 I420	I344-M416 HydrophobicContact CG2-CG 4.35Å; T347-M416 HydrophobicContact CG2-CE 3.42Å; T347-M416 VanDerWaalsContact CG2-CE 3.42Å; T347-M416 HydrophobicContact CG2-SD 3.81Å; A348-M416 HydrophobicContact CB-CG 4.4Å; F390-M416 HydrophobicContact CE1-SD 4.37Å; F390-M416 HydrophobicContact CE2-CB 4.32Å; F390-M416 HydrophobicContact CZ-CB 3.95Å; F390-M416 HydrophobicContact CZ-CE 4.11Å; F390-M416 HydrophobicContact CZ-SD 3.92Å; L393-M416 HydrophobicContact CD1-CE 4.45Å; F401-M416 HydrophobicContact CE2-SD 4.01Å; F401-M416 HydrophobicContact CZ-SD 4.13Å; I412-M416 HydrophobicContact CG2-CG 4.32Å; I412-M416 HydrophobicContact CG2-SD 3.85Å; I412-M416 WeakPolarHBondContact O-CG 3.38Å; I412-M416 PolarHBondContact O-N 2.95Å; R413-M416 PolarHBondContact O-N 3.26Å; M416-T418 VanDerWaalsContact C-N 3.35Å; M416-T418 PolarHBondContact O-N 3.19Å; M416-L419 PolarHBondContact O-N 3.01Å; M416-I420 WeakPolarHBondContact O-CB 3.34Å; M416-I420 VanDerWaalsContact O-CG1 3.32Å; M416-I420 WeakPolarHBondContact O-CG1 3.3Å; M416-I420 PolarHBondContact O-N 2.86Å
417	I	98.9	Very high	98.6	Very high	39 Å²	39	48.8 Å²	48.8	20%	0.2	25%	0.252	C	S	.	.	H	α-helix	trans	-58	-49.9	175.3	-69.8	162.7	0	0	0	110	C386 F390 R413 Q414 G415 L419 L421	C386-I417 WeakPolarHBondContact SG-CG1 3.27Å; F390-I417 HydrophobicContact CE2-CG1 4Å; R413-I417 HydrophobicContact CG-CD1 3.74Å; R413-I417 HydrophobicContact CG-CG1 4.49Å; R413-I417 WeakPolarHBondContact O-CD1 3.38Å; R413-I417 VanDerWaalsContact O-CG1 3.23Å; R413-I417 WeakPolarHBondContact O-CG1 3.2Å; R413-I417 PolarHBondContact O-N 2.97Å; Q414-I417 PolarHBondContact O-N 2.87Å; G415-I417 PolarHBondContact O-N 2.92Å; I417-L419 VanDerWaalsContact C-N 3.3Å; I417-L419 PolarHBondContact O-N 2.91Å; I417-L421 HydrophobicContact CG2-CD1 3.73Å; I417-L421 HydrophobicContact CG2-CG 4.35Å; I417-L421 WeakPolarHBondContact O-CB 3.38Å; I417-L421 VanDerWaalsContact O-CG 3.28Å; I417-L421 WeakPolarHBondContact O-CG 3.35Å; I417-L421 PolarHBondContact O-N 2.79Å
418	T	98.9	Very high	98.6	Very high	38 Å²	38	44.7 Å²	44.7	23%	0.233	23%	0.229	C	C	.	.	H	α-helix	trans	-58.7	-42.1	179.1	-61.3	0	0	0	0	111.9	Q414 G415 M416 A422 T451 M455	Q414-T418 PolarHBondContact NE2-OG1 2.86Å; Q414-T418 PolarHBondContact O-N 2.85Å; Q414-T418 PolarHBondContact O-OG1 2.75Å; Q414-T418 VanDerWaalsContact O-OG1 3.12Å; G415-T418 PolarHBondContact O-N 2.79Å; M416-T418 VanDerWaalsContact C-N 3.35Å; M416-T418 PolarHBondContact O-N 3.19Å; T418-A422 WeakPolarHBondContact O-CB 3.25Å; T418-A422 PolarHBondContact O-N 3.37Å; T418-T451 HydrophobicContact CG2-CG2 3.92Å; T418-M455 HydrophobicContact CG2-CG 4.1Å; T418-M455 HydrophobicContact CG2-SD 3.89Å
419	L	98.9	Very high	98.6	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-72.6	-44	-177.7	-65.4	-161.6	0	0	0	113.2	I344 L345 A348 G415 M416 I417 A422 K454 M455 I458	I344-L419 HydrophobicContact CG2-CD1 3.66Å; I344-L419 HydrophobicContact CG2-CG 4.17Å; L345-L419 HydrophobicContact CD2-CD1 3.84Å; L345-L419 HydrophobicContact CG-CD1 4.4Å; A348-L419 HydrophobicContact CB-CB 3.8Å; A348-L419 HydrophobicContact CB-CD1 4.05Å; A348-L419 HydrophobicContact CB-CG 4.5Å; G415-L419 WeakPolarHBondContact O-CG 3.4Å; G415-L419 PolarHBondContact O-N 3.35Å; M416-L419 PolarHBondContact O-N 3.01Å; I417-L419 VanDerWaalsContact C-N 3.3Å; I417-L419 PolarHBondContact O-N 2.91Å; L419-A422 WeakPolarHBondContact O-CB 3.32Å; L419-A422 PolarHBondContact O-N 3.41Å; L419-A422 VanDerWaalsContact O-N 3.16Å; L419-K454 HydrophobicContact CD1-CB 4.26Å; L419-K454 HydrophobicContact CD2-CB 3.67Å; L419-M455 HydrophobicContact CD2-CB 4.5Å; L419-M455 HydrophobicContact CD2-CG 3.9Å; L419-I458 HydrophobicContact CB-CD1 3.96Å; L419-I458 HydrophobicContact CB-CG2 4.15Å; L419-I458 HydrophobicContact CD2-CG2 4.32Å
420	I	98.9	Very high	98.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.9	-43.2	178.3	-63.9	172.4	0	0	0	109.8	A348 C351 H352 E382 H385 C386 M416 A422 T423	A348-I420 HydrophobicContact CB-CG1 4.18Å; C351-I420 HydrophobicContact CB-CD1 4.08Å; H352-I420 HydrophobicContact CB-CG1 4.29Å; E382-I420 WeakPolarHBondContact O-CG2 3.37Å; H385-I420 HydrophobicContact CB-CG2 4.16Å; C386-I420 HydrophobicContact CB-CB 4.42Å; C386-I420 HydrophobicContact CB-CD1 4.3Å; C386-I420 HydrophobicContact CB-CG2 4.08Å; M416-I420 WeakPolarHBondContact O-CB 3.34Å; M416-I420 VanDerWaalsContact O-CG1 3.32Å; M416-I420 WeakPolarHBondContact O-CG1 3.3Å; M416-I420 PolarHBondContact O-N 2.86Å; I420-A422 PolarHBondContact O-N 3.42Å; I420-A422 VanDerWaalsContact O-N 3.17Å; I420-T423 PolarHBondContact O-N 3.19Å; I420-T423 VanDerWaalsContact O-N 3.16Å; I420-T423 PolarHBondContact O-OG1 3.3Å
421	L	98.9	Very high	98.5	Very high	34 Å²	34	42.6 Å²	42.6	18%	0.178	23%	0.227	C	C	.	.	H	α-helix	trans	-68.5	-13.6	175.6	-65	179.3	0	0	0	114	E382 N383 I417 R427	E382-L421 HydrophobicContact CB-CD2 3.86Å; N383-L421 HydrophobicContact CB-CD2 4.39Å; I417-L421 HydrophobicContact CG2-CD1 3.73Å; I417-L421 HydrophobicContact CG2-CG 4.35Å; I417-L421 WeakPolarHBondContact O-CB 3.38Å; I417-L421 VanDerWaalsContact O-CG 3.28Å; I417-L421 WeakPolarHBondContact O-CG 3.35Å; I417-L421 PolarHBondContact O-N 2.79Å; L421-R427 PolarHBondContact O-NH1 3.04Å
422	A	98.8	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-82.1	-16.4	175.6	0	0	0	0	0	112.6	T418 L419 I420 D424 I431 M455 K459	T418-A422 WeakPolarHBondContact O-CB 3.25Å; T418-A422 PolarHBondContact O-N 3.37Å; L419-A422 WeakPolarHBondContact O-CB 3.32Å; L419-A422 PolarHBondContact O-N 3.41Å; L419-A422 VanDerWaalsContact O-N 3.16Å; I420-A422 PolarHBondContact O-N 3.42Å; I420-A422 VanDerWaalsContact O-N 3.17Å; A422-D424 VanDerWaalsContact C-N 3.26Å; A422-D424 PolarHBondContact O-N 3.3Å; A422-I431 HydrophobicContact CB-CD1 3.97Å; A422-M455 HydrophobicContact CB-CB 3.96Å; A422-M455 HydrophobicContact CB-CE 3.79Å; A422-M455 HydrophobicContact CB-CG 3.82Å; A422-K459 WeakPolarHBondContact O-CD 3.43Å; A422-K459 WeakPolarHBondContact O-CE 3.38Å; A422-K459 WeakPolarHBondContact O-CG 3.29Å; A422-K459 PolarHBondContact O-NZ 2.71Å
423	T	98.9	Very high	98.5	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-69.3	-26.9	179.3	60.3	0	0	0	0	111.8	H352 I420 M425 I458 K459 D462	H352-T423 HydrophobicContact CB-CG2 4.22Å; I420-T423 PolarHBondContact O-N 3.19Å; I420-T423 VanDerWaalsContact O-N 3.16Å; I420-T423 PolarHBondContact O-OG1 3.3Å; T423-M425 PolarHBondContact O-N 2.88Å; T423-I458 HydrophobicContact CG2-CD1 4.17Å; T423-I458 HydrophobicContact CG2-CG1 4.19Å; T423-K459 PolarHBondContact O-NZ 2.63Å; T423-K459 VanDerWaalsContact O-NZ 3.15Å; T423-D462 WeakPolarHBondContact CB-OD2 3.35Å
424	D	98.8	Very high	98.5	Very high	15 Å²	15	39.7 Å²	39.7	8%	0.08	23%	0.225	C	C	.	.			trans	-47.6	113.2	173.8	-171.6	-12.4	0	0	0	111.6	S379 E382 A422 A426 R427	S379-D424 WeakPolarHBondContact CB-OD2 3.32Å; S379-D424 PolarHBondContact OG-OD2 3.43Å; E382-D424 HydrophobicContact CG-CB 3.9Å; A422-D424 VanDerWaalsContact C-N 3.26Å; A422-D424 PolarHBondContact O-N 3.3Å; D424-A426 PolarHBondContact O-N 2.93Å; D424-A426 VanDerWaalsContact OD1-CB 3.23Å; D424-A426 WeakPolarHBondContact OD1-CB 3.26Å; D424-A426 PolarHBondContact OD1-N 2.94Å; D424-R427 PolarHBondContact O-N 3.17Å; D424-R427 VanDerWaalsContact O-N 3.1Å
425	M	97.6	Very high	98.5	Very high	72 Å²	72	34.2 Å²	34.2	36%	0.355	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-71.8	-15.4	-176.8	-74.6	-59.2	-65.3	0	0	113.2	T423 R427 H428 K459 I463 F516 V520	T423-M425 PolarHBondContact O-N 2.88Å; M425-R427 PolarHBondContact O-N 2.94Å; M425-H428 HydrophobicContact CE-CB 3.76Å; M425-H428 VanDerWaalsContact O-CB 3.32Å; M425-H428 WeakPolarHBondContact O-CB 3.43Å; M425-H428 PolarHBondContact O-N 3.4Å; M425-H428 VanDerWaalsContact O-N 3.17Å; M425-H428 HydrophobicContact SD-CB 4.14Å; M425-K459 PolarHBondContact SD-NZ 3.39Å; M425-I463 HydrophobicContact CE-CD1 4.32Å; M425-I463 HydrophobicContact SD-CD1 4.47Å; M425-F516 HydrophobicContact CE-CE2 4.44Å; M425-V520 HydrophobicContact CE-CG1 3.79Å
426	A	97.2	Very high	98.4	Very high	89 Å²	89	37.8 Å²	37.8	74%	0.736	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-61.5	-26	169.2	0	0	0	0	0	112.1	D424	D424-A426 PolarHBondContact O-N 2.93Å; D424-A426 VanDerWaalsContact OD1-CB 3.23Å; D424-A426 WeakPolarHBondContact OD1-CB 3.26Å; D424-A426 PolarHBondContact OD1-N 2.94Å
427	R	97.6	Very high	98.4	Very high	68 Å²	68	43.2 Å²	43.2	26%	0.257	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-96.3	3.3	179.2	-58.7	-176	64.2	-150.3	-2.8	113.8	L421 D424 M425 A429 E430 I431	L421-R427 PolarHBondContact O-NH1 3.04Å; D424-R427 PolarHBondContact O-N 3.17Å; D424-R427 VanDerWaalsContact O-N 3.1Å; M425-R427 PolarHBondContact O-N 2.94Å; R427-A429 PolarHBondContact O-N 2.98Å; R427-E430 IonicContact CZ-OE1 3.04Å; R427-E430 IonicContact NE-OE1 2.74Å; R427-E430 IonicContact NE-OE2 2.8Å; R427-E430 IonicContact NH2-OE1 3.78Å; R427-E430 PolarHBondContact NH2-OE1 2.73Å; R427-E430 PolarHBondContact O-N 3.43Å; R427-I431 HydrophobicContact CB-CD1 3.88Å; R427-I431 HydrophobicContact CB-CG1 4.32Å; R427-I431 VanDerWaalsContact O-CG1 3.3Å; R427-I431 WeakPolarHBondContact O-CG1 2.97Å; R427-I431 PolarHBondContact O-N 2.89Å
428	H	98.1	Very high	98.4	Very high	29 Å²	29	43 Å²	43	13%	0.134	24%	0.235	C	C	.	.	H	α-helix	trans	-55.7	-48.7	-175.1	176.3	82.6	0	0	0	112.5	M425 I431 M432	M425-H428 HydrophobicContact CE-CB 3.76Å; M425-H428 VanDerWaalsContact O-CB 3.32Å; M425-H428 WeakPolarHBondContact O-CB 3.43Å; M425-H428 PolarHBondContact O-N 3.4Å; M425-H428 VanDerWaalsContact O-N 3.17Å; M425-H428 HydrophobicContact SD-CB 4.14Å; H428-I431 PolarHBondContact O-N 3.3Å; H428-M432 VanDerWaalsContact O-CB 3.29Å; H428-M432 WeakPolarHBondContact O-CB 3.18Å; H428-M432 VanDerWaalsContact O-CG 3.28Å; H428-M432 WeakPolarHBondContact O-CG 3.48Å; H428-M432 PolarHBondContact O-N 3.04Å
429	A	97.5	Very high	98.3	Very high	60 Å²	60	42.5 Å²	42.5	50%	0.496	23%	0.23	S	C	.	.	H	α-helix	trans	-63.4	-47.8	-179.5	0	0	0	0	0	112.2	R427 I431 M432 D433	R427-A429 PolarHBondContact O-N 2.98Å; A429-I431 VanDerWaalsContact C-N 3.34Å; A429-I431 PolarHBondContact O-N 3.4Å; A429-M432 PolarHBondContact O-N 3.06Å; A429-D433 WeakPolarHBondContact O-CB 3.45Å; A429-D433 VanDerWaalsContact O-CG 3.29Å; A429-D433 PolarHBondContact O-N 3.02Å
430	E	98.2	Very high	98.1	Very high	106 Å²	106	50.7 Å²	50.7	50%	0.495	27%	0.268	S	S	.	.	H	α-helix	trans	-54.3	-48.2	177.2	178.3	-160	135.6	0	0	111.9	R427 S434	R427-E430 IonicContact CZ-OE1 3.04Å; R427-E430 IonicContact NE-OE1 2.74Å; R427-E430 IonicContact NE-OE2 2.8Å; R427-E430 IonicContact NH2-OE1 3.78Å; R427-E430 PolarHBondContact NH2-OE1 2.73Å; R427-E430 PolarHBondContact O-N 3.43Å; E430-S434 WeakPolarHBondContact O-CB 3.23Å; E430-S434 PolarHBondContact O-N 3.34Å; E430-S434 PolarHBondContact O-OG 3.02Å
431	I	98.6	Very high	98	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-69.6	-42.6	-178.3	-64	169	0	0	0	110.6	A422 R427 H428 A429 S434 F435 M455 I456 K459	A422-I431 HydrophobicContact CB-CD1 3.97Å; R427-I431 HydrophobicContact CB-CD1 3.88Å; R427-I431 HydrophobicContact CB-CG1 4.32Å; R427-I431 VanDerWaalsContact O-CG1 3.3Å; R427-I431 WeakPolarHBondContact O-CG1 2.97Å; R427-I431 PolarHBondContact O-N 2.89Å; H428-I431 PolarHBondContact O-N 3.3Å; A429-I431 VanDerWaalsContact C-N 3.34Å; A429-I431 PolarHBondContact O-N 3.4Å; I431-S434 PolarHBondContact O-N 3.31Å; I431-F435 WeakPolarHBondContact O-CB 3.41Å; I431-F435 PolarHBondContact O-N 2.88Å; I431-M455 HydrophobicContact CB-CE 4.42Å; I431-M455 HydrophobicContact CD1-CE 3.63Å; I431-M455 HydrophobicContact CG1-CE 3.63Å; I431-M455 HydrophobicContact CG2-CB 4.26Å; I431-M455 HydrophobicContact CG2-CE 3.94Å; I431-I456 HydrophobicContact CG2-CD1 3.87Å; I431-I456 HydrophobicContact CG2-CG1 4.5Å; I431-K459 HydrophobicContact CD1-CD 4.17Å; I431-K459 HydrophobicContact CG2-CD 4.32Å
432	M	98.6	Very high	98	Very high	5 Å²	5	57 Å²	57	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-43.1	177.8	-81.2	-59.5	-57	0	0	112.3	H428 A429 F435 K436 I456 M524	H428-M432 VanDerWaalsContact O-CB 3.29Å; H428-M432 WeakPolarHBondContact O-CB 3.18Å; H428-M432 VanDerWaalsContact O-CG 3.28Å; H428-M432 WeakPolarHBondContact O-CG 3.48Å; H428-M432 PolarHBondContact O-N 3.04Å; A429-M432 PolarHBondContact O-N 3.06Å; M432-F435 PolarHBondContact O-N 3.32Å; M432-K436 WeakPolarHBondContact O-CB 3.23Å; M432-K436 VanDerWaalsContact O-CG 3.27Å; M432-K436 WeakPolarHBondContact O-CG 3.22Å; M432-K436 PolarHBondContact O-N 3.23Å; M432-I456 HydrophobicContact SD-CD1 3.54Å; M432-I456 VanDerWaalsContact SD-CD1 3.54Å; M432-M524 HydrophobicContact CE-CB 4.21Å; M432-M524 HydrophobicContact CE-CG 4.43Å; M432-M524 HydrophobicContact SD-CB 3.97Å; M432-M524 HydrophobicContact SD-CG 3.71Å; M432-M524 HydrophobicContact SD-SD 4.41Å
433	D	98.4	Very high	97.9	Very high	98 Å²	98	60 Å²	60	52%	0.524	32%	0.317	S	S	.	.	H	α-helix	trans	-67.2	-44.1	179.5	-70.5	-18	0	0	0	110.7	A429 F435 K436 E437	A429-D433 WeakPolarHBondContact O-CB 3.45Å; A429-D433 VanDerWaalsContact O-CG 3.29Å; A429-D433 PolarHBondContact O-N 3.02Å; D433-F435 VanDerWaalsContact C-N 3.32Å; D433-F435 PolarHBondContact O-N 3.45Å; D433-K436 PolarHBondContact O-N 2.86Å; D433-E437 PolarHBondContact O-N 3.14Å
434	S	98.6	Very high	97.9	Very high	43 Å²	43	63.4 Å²	63.4	30%	0.301	33%	0.33	S	S	.	.	H	α-helix	trans	-59.4	-42.6	174.8	-59.3	0	0	0	0	111.8	E430 I431 E437 K438	E430-S434 WeakPolarHBondContact O-CB 3.23Å; E430-S434 PolarHBondContact O-N 3.34Å; E430-S434 PolarHBondContact O-OG 3.02Å; I431-S434 PolarHBondContact O-N 3.31Å; S434-E437 WeakPolarHBondContact O-CB 3.4Å; S434-K438 WeakPolarHBondContact O-CG 3.39Å; S434-K438 PolarHBondContact O-N 3.26Å
435	F	98.6	Very high	97.9	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-68.3	-43	177.3	-176	-119.4	0	0	0	112.2	I431 M432 D433 E437 K438 M439 F442 L452 L453 I456 T527 L531	I431-F435 WeakPolarHBondContact O-CB 3.41Å; I431-F435 PolarHBondContact O-N 2.88Å; M432-F435 PolarHBondContact O-N 3.32Å; D433-F435 VanDerWaalsContact C-N 3.32Å; D433-F435 PolarHBondContact O-N 3.45Å; F435-E437 VanDerWaalsContact C-N 3.28Å; F435-E437 PolarHBondContact O-N 2.9Å; F435-K438 PolarHBondContact O-N 2.98Å; F435-K438 VanDerWaalsContact O-N 3.1Å; F435-M439 HydrophobicContact CD1-CG 4.04Å; F435-M439 HydrophobicContact CE1-CG 3.82Å; F435-M439 HydrophobicContact CE1-SD 3.99Å; F435-M439 HydrophobicContact CE2-CG 4.29Å; F435-M439 HydrophobicContact CE2-SD 4.11Å; F435-M439 HydrophobicContact CG-CG 4.39Å; F435-M439 HydrophobicContact CZ-CG 3.95Å; F435-M439 HydrophobicContact CZ-SD 3.62Å; F435-M439 VanDerWaalsContact O-CG 3.29Å; F435-M439 WeakPolarHBondContact O-CG 3.15Å; F435-M439 PolarHBondContact O-N 3.5Å; F435-F442 HydrophobicContact CD2-CE2 4.48Å; F435-F442 HydrophobicContact CE2-CD2 4.23Å; F435-F442 AromaticContact CE2-CE2 3.7Å; F435-F442 HydrophobicContact CE2-CE2 3.7Å; F435-L452 HydrophobicContact CD2-CB 3.94Å; F435-L453 HydrophobicContact CE2-CB 4.09Å; F435-L453 HydrophobicContact CE2-CD1 4.04Å; F435-L453 HydrophobicContact CZ-CD1 3.82Å; F435-I456 HydrophobicContact CB-CD1 4.17Å; F435-I456 HydrophobicContact CB-CG1 3.87Å; F435-I456 HydrophobicContact CD1-CB 4.44Å; F435-I456 HydrophobicContact CD1-CD1 4.23Å; F435-I456 HydrophobicContact CD1-CG1 3.65Å; F435-I456 HydrophobicContact CD1-CG2 4.42Å; F435-I456 HydrophobicContact CD2-CG1 4.12Å; F435-I456 HydrophobicContact CE1-CB 4.48Å; F435-I456 HydrophobicContact CE1-CG1 4.15Å; F435-I456 HydrophobicContact CE1-CG2 4.22Å; F435-I456 HydrophobicContact CG-CD1 4.33Å; F435-I456 HydrophobicContact CG-CG1 3.62Å; F435-T527 HydrophobicContact CD1-CG2 3.64Å; F435-T527 HydrophobicContact CE1-CG2 3.65Å; F435-L531 HydrophobicContact CE2-CD1 4.49Å; F435-L531 HydrophobicContact CZ-CD1 3.93Å
436	K	98.3	Very high	97.9	Very high	88 Å²	88	66.6 Å²	66.6	38%	0.383	36%	0.356	S	S	.	.	H	α-helix	trans	-59.8	-38.1	176.5	-76.7	172.6	-172.1	164.5	0	112.3	M432 D433 K438 M439 T527	M432-K436 WeakPolarHBondContact O-CB 3.23Å; M432-K436 VanDerWaalsContact O-CG 3.27Å; M432-K436 WeakPolarHBondContact O-CG 3.22Å; M432-K436 PolarHBondContact O-N 3.23Å; D433-K436 PolarHBondContact O-N 2.86Å; K436-K438 VanDerWaalsContact C-N 3.35Å; K436-M439 WeakPolarHBondContact O-CB 3.37Å; K436-M439 PolarHBondContact O-N 3.07Å; K436-T527 HydrophobicContact CG-CG2 4.09Å
437	E	98.3	Very high	97.9	Very high	114 Å²	114	70.1 Å²	70.1	53%	0.533	36%	0.357	S	S	.	.	H	α-helix	trans	-57.4	-48.5	172.9	-173.9	-163	126.3	0	0	110.7	D433 S434 F435 M439 E440	D433-E437 PolarHBondContact O-N 3.14Å; S434-E437 WeakPolarHBondContact O-CB 3.4Å; F435-E437 VanDerWaalsContact C-N 3.28Å; F435-E437 PolarHBondContact O-N 2.9Å; E437-M439 VanDerWaalsContact C-N 3.26Å; E437-M439 PolarHBondContact O-N 2.77Å; E437-E440 PolarHBondContact O-N 3.43Å
438	K	98	Very high	98	Very high	34 Å²	34	72 Å²	72	15%	0.148	37%	0.369	C	S	.	.	H	α-helix	trans	-70.4	-23.6	179.3	-54	-39.1	179.7	-171.9	0	112.9	S434 F435 K436 E440 N441 F442 E448 L452	S434-K438 WeakPolarHBondContact O-CG 3.39Å; S434-K438 PolarHBondContact O-N 3.26Å; F435-K438 PolarHBondContact O-N 2.98Å; F435-K438 VanDerWaalsContact O-N 3.1Å; K436-K438 VanDerWaalsContact C-N 3.35Å; K438-E440 PolarHBondContact O-N 3.28Å; K438-N441 CarbonylContact O-C 3.6Å; K438-N441 VanDerWaalsContact O-C 3.26Å; K438-N441 PolarHBondContact O-N 2.99Å; K438-F442 VanDerWaalsContact O-CA 3.25Å; K438-F442 WeakPolarHBondContact O-CA 3.31Å; K438-F442 PolarHBondContact O-N 3.4Å; K438-E448 WeakPolarHBondContact CE-OE1 3.26Å; K438-E448 IonicContact NZ-OE1 3.3Å; K438-E448 PolarHBondContact NZ-OE1 2.81Å; K438-L452 HydrophobicContact CG-CD1 3.6Å
439	M	97.7	Very high	98	Very high	27 Å²	27	71.6 Å²	71.6	13%	0.133	37%	0.367	C	S	.	.	H	α-helix	trans	-68.5	-16.4	178.2	-78.3	-60.2	-52.2	0	0	114.2	F435 K436 E437 N441 F442 T527 K530 L531	F435-M439 HydrophobicContact CD1-CG 4.04Å; F435-M439 HydrophobicContact CE1-CG 3.82Å; F435-M439 HydrophobicContact CE1-SD 3.99Å; F435-M439 HydrophobicContact CE2-CG 4.29Å; F435-M439 HydrophobicContact CE2-SD 4.11Å; F435-M439 HydrophobicContact CG-CG 4.39Å; F435-M439 HydrophobicContact CZ-CG 3.95Å; F435-M439 HydrophobicContact CZ-SD 3.62Å; F435-M439 VanDerWaalsContact O-CG 3.29Å; F435-M439 WeakPolarHBondContact O-CG 3.15Å; F435-M439 PolarHBondContact O-N 3.5Å; K436-M439 WeakPolarHBondContact O-CB 3.37Å; K436-M439 PolarHBondContact O-N 3.07Å; E437-M439 VanDerWaalsContact C-N 3.26Å; E437-M439 PolarHBondContact O-N 2.77Å; M439-N441 PolarHBondContact O-N 2.94Å; M439-F442 HydrophobicContact SD-CB 4.14Å; M439-F442 HydrophobicContact SD-CD2 3.81Å; M439-F442 HydrophobicContact SD-CG 4.1Å; M439-T527 HydrophobicContact CG-CG2 3.91Å; M439-K530 HydrophobicContact CE-CB 3.53Å; M439-K530 HydrophobicContact CE-CD 4.15Å; M439-K530 HydrophobicContact CE-CG 4.49Å; M439-L531 HydrophobicContact CE-CD1 4.46Å; M439-L531 HydrophobicContact CE-CD2 3.61Å; M439-L531 HydrophobicContact CE-CG 3.66Å; M439-L531 HydrophobicContact SD-CD1 3.74Å; M439-L531 HydrophobicContact SD-CD2 3.73Å; M439-L531 HydrophobicContact SD-CG 3.6Å; M439-L531 VanDerWaalsContact SD-CG 3.6Å
440	E	94.1	Very high	98.1	Very high	175 Å²	175	69.5 Å²	69.5	82%	0.818	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-34.3	173.4	-64.5	-173.2	172.2	0	0	112.2	E437 K438	E437-E440 PolarHBondContact O-N 3.43Å; K438-E440 PolarHBondContact O-N 3.28Å
441	N	96.8	Very high	98.1	Very high	135 Å²	135	66.8 Å²	66.8	72%	0.722	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.7	66.8	175.6	-173.6	39.2	0	0	0	110.2	K438 M439	K438-N441 CarbonylContact O-C 3.6Å; K438-N441 VanDerWaalsContact O-C 3.26Å; K438-N441 PolarHBondContact O-N 2.99Å; M439-N441 PolarHBondContact O-N 2.94Å
442	F	98.4	Very high	98.1	Very high	32 Å²	32	67.5 Å²	67.5	14%	0.14	34%	0.342	C	S	.	.			trans	-65.4	140.7	-175.6	-166	-92.7	0	0	0	111.6	F435 K438 M439 Y444 H449 M450 L453 L531	F435-F442 HydrophobicContact CD2-CE2 4.48Å; F435-F442 HydrophobicContact CE2-CD2 4.23Å; F435-F442 AromaticContact CE2-CE2 3.7Å; F435-F442 HydrophobicContact CE2-CE2 3.7Å; K438-F442 VanDerWaalsContact O-CA 3.25Å; K438-F442 WeakPolarHBondContact O-CA 3.31Å; K438-F442 PolarHBondContact O-N 3.4Å; M439-F442 HydrophobicContact SD-CB 4.14Å; M439-F442 HydrophobicContact SD-CD2 3.81Å; M439-F442 HydrophobicContact SD-CG 4.1Å; F442-Y444 HydrophobicContact CD1-CD2 4.22Å; F442-Y444 HydrophobicContact CD1-CE2 4.05Å; F442-Y444 AromaticContact CE1-CD1 3.93Å; F442-Y444 HydrophobicContact CE1-CD1 3.93Å; F442-Y444 HydrophobicContact CE1-CD2 4.23Å; F442-Y444 AromaticContact CE1-CE1 3.85Å; F442-Y444 HydrophobicContact CE1-CE1 3.85Å; F442-Y444 HydrophobicContact CE1-CE2 4.16Å; F442-Y444 HydrophobicContact CE1-CG 4.12Å; F442-Y444 AromaticContact CE1-CZ 3.97Å; F442-H449 HydrophobicContact CD2-CB 4.27Å; F442-H449 HydrophobicContact CE2-CB 3.76Å; F442-H449 HydrophobicContact CZ-CB 4.01Å; F442-M450 HydrophobicContact CE1-SD 4.37Å; F442-M450 HydrophobicContact CZ-SD 4.32Å; F442-L453 HydrophobicContact CE1-CD2 4.17Å; F442-L453 HydrophobicContact CE2-CB 4.31Å; F442-L453 HydrophobicContact CZ-CB 3.88Å; F442-L453 HydrophobicContact CZ-CD2 3.8Å; F442-L453 HydrophobicContact CZ-CG 4.36Å; F442-L531 HydrophobicContact CB-CD2 3.94Å; F442-L531 HydrophobicContact CD1-CD1 3.99Å; F442-L531 HydrophobicContact CD1-CD2 3.68Å; F442-L531 HydrophobicContact CD2-CD1 4.26Å; F442-L531 HydrophobicContact CE1-CD1 3.91Å; F442-L531 HydrophobicContact CE1-CD2 4.38Å; F442-L531 HydrophobicContact CE2-CD1 4.19Å; F442-L531 HydrophobicContact CG-CD1 4.18Å; F442-L531 HydrophobicContact CG-CD2 3.78Å; F442-L531 HydrophobicContact CZ-CD1 4.02Å
443	D	98.4	Very high	98.1	Very high	64 Å²	64	67.2 Å²	67.2	34%	0.342	34%	0.341	S	S	.	.			trans	-139.3	113.7	-173.5	178.8	4.7	0	0	0	109.7	S445 N446 H449	D443-S445 VanDerWaalsContact CG-OG 3.24Å; D443-S445 PolarHBondContact O-N 3.09Å; D443-S445 WeakPolarHBondContact OD1-CB 3.44Å; D443-S445 PolarHBondContact OD1-N 3.25Å; D443-S445 PolarHBondContact OD1-OG 3.3Å; D443-S445 PolarHBondContact OD2-OG 3.12Å; D443-S445 VanDerWaalsContact OD2-OG 3.05Å; D443-N446 HydrophobicContact CB-CB 4.08Å; D443-N446 PolarHBondContact O-N 3.39Å; D443-H449 PolarHBondContact N-ND1 2.96Å; D443-H449 WeakPolarHBondContact O-CB 3.4Å
444	Y	98.3	Very high	98.1	Very high	75 Å²	75	63.5 Å²	63.5	29%	0.294	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.6	-179.9	-72.4	-84.1	0	0	0	113.7	K336 F442 M450 L453	K336-Y444 HydrophobicContact CB-CD1 3.97Å; K336-Y444 HydrophobicContact CB-CE1 3.92Å; K336-Y444 HydrophobicContact CD-CD1 4.1Å; K336-Y444 HydrophobicContact CD-CE1 3.91Å; K336-Y444 HydrophobicContact CG-CD1 4.26Å; K336-Y444 HydrophobicContact CG-CE1 3.86Å; F442-Y444 HydrophobicContact CD1-CD2 4.22Å; F442-Y444 HydrophobicContact CD1-CE2 4.05Å; F442-Y444 AromaticContact CE1-CD1 3.93Å; F442-Y444 HydrophobicContact CE1-CD1 3.93Å; F442-Y444 HydrophobicContact CE1-CD2 4.23Å; F442-Y444 AromaticContact CE1-CE1 3.85Å; F442-Y444 HydrophobicContact CE1-CE1 3.85Å; F442-Y444 HydrophobicContact CE1-CE2 4.16Å; F442-Y444 HydrophobicContact CE1-CG 4.12Å; F442-Y444 AromaticContact CE1-CZ 3.97Å; Y444-M450 HydrophobicContact CD1-CE 4.06Å; Y444-M450 HydrophobicContact CD1-SD 3.64Å; Y444-M450 HydrophobicContact CE1-SD 4.45Å; Y444-M450 HydrophobicContact CG-SD 4.35Å; Y444-M450 WeakPolarHBondContact O-CG 3.41Å; Y444-L453 HydrophobicContact CE1-CD2 4.17Å
445	S	97.9	Very high	98.2	Very high	99 Å²	99	62.1 Å²	62.1	69%	0.692	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-11.6	175.7	73.4	0	0	0	0	113.3	D443	D443-S445 VanDerWaalsContact CG-OG 3.24Å; D443-S445 PolarHBondContact O-N 3.09Å; D443-S445 WeakPolarHBondContact OD1-CB 3.44Å; D443-S445 PolarHBondContact OD1-N 3.25Å; D443-S445 PolarHBondContact OD1-OG 3.3Å; D443-S445 PolarHBondContact OD2-OG 3.12Å; D443-S445 VanDerWaalsContact OD2-OG 3.05Å
446	N	98.6	Very high	98.2	Very high	55 Å²	55	62.1 Å²	62.1	29%	0.294	31%	0.309	S	S	.	.			trans	-89.6	120.4	179.9	-176.2	-44.8	0	0	0	111.1	D443 E448 H449 M450	D443-N446 HydrophobicContact CB-CB 4.08Å; D443-N446 PolarHBondContact O-N 3.39Å; N446-E448 VanDerWaalsContact C-N 3.33Å; N446-E448 PolarHBondContact O-N 3.41Å; N446-E448 WeakPolarHBondContact OD1-CB 3.31Å; N446-E448 PolarHBondContact OD1-N 3.25Å; N446-H449 HydrophobicContact CB-CB 4.03Å; N446-H449 PolarHBondContact O-N 3.18Å; N446-H449 PolarHBondContact OD1-N 3.16Å; N446-M450 VanDerWaalsContact O-CG 3.32Å; N446-M450 WeakPolarHBondContact O-CG 3.35Å; N446-M450 PolarHBondContact O-N 3.32Å
447	E	97.8	Very high	98.2	Very high	164 Å²	164	58 Å²	58	77%	0.766	29%	0.29	S	S	*	.	H	α-helix	trans	-63.6	-32.6	-177.1	-68.3	-172.4	172	0	0	114.1	T451	E447-T451 VanDerWaalsContact O-CB 3.31Å; E447-T451 WeakPolarHBondContact O-CB 3.31Å; E447-T451 PolarHBondContact O-N 2.99Å; E447-T451 PolarHBondContact O-OG1 3.15Å
448	E	98.3	Very high	98.2	Very high	107 Å²	107	52.5 Å²	52.5	50%	0.5	27%	0.265	S	S	.	.	H	α-helix	trans	-68.6	-45.3	177.2	-172.1	-171.9	163.4	0	0	110.3	K438 N446 M450 T451 L452	K438-E448 WeakPolarHBondContact CE-OE1 3.26Å; K438-E448 IonicContact NZ-OE1 3.3Å; K438-E448 PolarHBondContact NZ-OE1 2.81Å; N446-E448 VanDerWaalsContact C-N 3.33Å; N446-E448 PolarHBondContact O-N 3.41Å; N446-E448 WeakPolarHBondContact OD1-CB 3.31Å; N446-E448 PolarHBondContact OD1-N 3.25Å; E448-M450 VanDerWaalsContact C-N 3.32Å; E448-M450 PolarHBondContact O-N 3.36Å; E448-T451 PolarHBondContact O-N 3.34Å; E448-L452 PolarHBondContact O-N 2.81Å
449	H	98.8	Very high	98.3	Very high	21 Å²	21	51 Å²	51	10%	0.097	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-45.5	176.3	-68.4	-164.9	0	0	0	110.6	F442 D443 N446 T451 L452 L453	F442-H449 HydrophobicContact CD2-CB 4.27Å; F442-H449 HydrophobicContact CE2-CB 3.76Å; F442-H449 HydrophobicContact CZ-CB 4.01Å; D443-H449 PolarHBondContact N-ND1 2.96Å; D443-H449 WeakPolarHBondContact O-CB 3.4Å; N446-H449 HydrophobicContact CB-CB 4.03Å; N446-H449 PolarHBondContact O-N 3.18Å; N446-H449 PolarHBondContact OD1-N 3.16Å; H449-T451 VanDerWaalsContact C-N 3.34Å; H449-T451 PolarHBondContact O-N 2.89Å; H449-L452 PolarHBondContact O-N 3.35Å; H449-L453 WeakPolarHBondContact O-CB 3.44Å; H449-L453 PolarHBondContact O-N 3.34Å
450	M	98.8	Very high	98.3	Very high	15 Å²	15	49.7 Å²	49.7	7%	0.074	25%	0.252	C	S	.	.	H	α-helix	trans	-68	-32.4	177.9	-67.4	-60.6	-83.7	0	0	112.7	K336 F337 F442 Y444 N446 E448 L453 K454	K336-M450 WeakPolarHBondContact O-CE 3.43Å; F337-M450 HydrophobicContact CD1-CE 3.41Å; F337-M450 VanDerWaalsContact CD1-CE 3.41Å; F337-M450 HydrophobicContact CE1-CE 3.24Å; F337-M450 HydrophobicContact CE1-SD 4.22Å; F337-M450 HydrophobicContact CE2-CE 4.45Å; F337-M450 HydrophobicContact CG-CE 4.11Å; F337-M450 HydrophobicContact CZ-CE 3.84Å; F442-M450 HydrophobicContact CE1-SD 4.37Å; F442-M450 HydrophobicContact CZ-SD 4.32Å; Y444-M450 HydrophobicContact CD1-CE 4.06Å; Y444-M450 HydrophobicContact CD1-SD 3.64Å; Y444-M450 HydrophobicContact CE1-SD 4.45Å; Y444-M450 HydrophobicContact CG-SD 4.35Å; Y444-M450 WeakPolarHBondContact O-CG 3.41Å; N446-M450 VanDerWaalsContact O-CG 3.32Å; N446-M450 WeakPolarHBondContact O-CG 3.35Å; N446-M450 PolarHBondContact O-N 3.32Å; E448-M450 VanDerWaalsContact C-N 3.32Å; E448-M450 PolarHBondContact O-N 3.36Å; M450-L453 HydrophobicContact SD-CD2 4.26Å; M450-K454 VanDerWaalsContact O-CE 3.27Å; M450-K454 WeakPolarHBondContact O-CE 3.49Å; M450-K454 WeakPolarHBondContact O-CG 3.24Å; M450-K454 PolarHBondContact O-N 3.47Å
451	T	98.9	Very high	98.6	Very high	50 Å²	50	41.3 Å²	41.3	31%	0.307	21%	0.213	S	C	.	.	H	α-helix	trans	-66.4	-48.1	174.1	-63.5	0	0	0	0	111.2	T418 E447 E448 H449 L453 K454 M455	T418-T451 HydrophobicContact CG2-CG2 3.92Å; E447-T451 VanDerWaalsContact O-CB 3.31Å; E447-T451 WeakPolarHBondContact O-CB 3.31Å; E447-T451 PolarHBondContact O-N 2.99Å; E447-T451 PolarHBondContact O-OG1 3.15Å; E448-T451 PolarHBondContact O-N 3.34Å; H449-T451 VanDerWaalsContact C-N 3.34Å; H449-T451 PolarHBondContact O-N 2.89Å; T451-L453 VanDerWaalsContact C-N 3.32Å; T451-L453 PolarHBondContact O-N 3.05Å; T451-K454 PolarHBondContact O-N 3.15Å; T451-M455 HydrophobicContact CG2-SD 4.13Å; T451-M455 WeakPolarHBondContact O-CG 3.4Å; T451-M455 PolarHBondContact O-N 2.7Å
452	L	98.8	Very high	98.7	Very high	16 Å²	16	35.7 Å²	35.7	8%	0.084	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-40.3	175.1	-73.7	167.1	0	0	0	111.7	F435 K438 E448 H449 K454 M455 I456	F435-L452 HydrophobicContact CD2-CB 3.94Å; K438-L452 HydrophobicContact CG-CD1 3.6Å; E448-L452 PolarHBondContact O-N 2.81Å; H449-L452 PolarHBondContact O-N 3.35Å; L452-K454 PolarHBondContact O-N 3.48Å; L452-M455 HydrophobicContact CD2-SD 4.21Å; L452-M455 WeakPolarHBondContact O-CB 3.39Å; L452-M455 PolarHBondContact O-N 3.48Å; L452-I456 WeakPolarHBondContact O-CG1 3.22Å; L452-I456 PolarHBondContact O-N 3.34Å
453	L	98.9	Very high	98.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60	-45.5	175.1	179.8	57.6	0	0	0	111.6	F337 F435 F442 Y444 H449 M450 T451 M455 I456 L457 L531 F532	F337-L453 HydrophobicContact CE2-CD2 4.07Å; F337-L453 HydrophobicContact CZ-CB 4.48Å; F337-L453 HydrophobicContact CZ-CD2 3.62Å; F337-L453 HydrophobicContact CZ-CG 3.89Å; F435-L453 HydrophobicContact CE2-CB 4.09Å; F435-L453 HydrophobicContact CE2-CD1 4.04Å; F435-L453 HydrophobicContact CZ-CD1 3.82Å; F442-L453 HydrophobicContact CE1-CD2 4.17Å; F442-L453 HydrophobicContact CE2-CB 4.31Å; F442-L453 HydrophobicContact CZ-CB 3.88Å; F442-L453 HydrophobicContact CZ-CD2 3.8Å; F442-L453 HydrophobicContact CZ-CG 4.36Å; Y444-L453 HydrophobicContact CE1-CD2 4.17Å; H449-L453 WeakPolarHBondContact O-CB 3.44Å; H449-L453 PolarHBondContact O-N 3.34Å; M450-L453 HydrophobicContact SD-CD2 4.26Å; T451-L453 VanDerWaalsContact C-N 3.32Å; T451-L453 PolarHBondContact O-N 3.05Å; L453-M455 VanDerWaalsContact C-N 3.33Å; L453-M455 PolarHBondContact O-N 3.08Å; L453-I456 PolarHBondContact O-N 3.4Å; L453-L457 HydrophobicContact CD1-CD1 4.34Å; L453-L457 HydrophobicContact CD1-CG 4.22Å; L453-L457 HydrophobicContact CG-CD1 4.08Å; L453-L457 HydrophobicContact CG-CG 4.42Å; L453-L457 WeakPolarHBondContact O-CB 3.21Å; L453-L457 VanDerWaalsContact O-CG 3.27Å; L453-L457 WeakPolarHBondContact O-CG 3.49Å; L453-L457 PolarHBondContact O-N 3.3Å; L453-L531 HydrophobicContact CD1-CD1 3.79Å; L453-L531 HydrophobicContact CD2-CD1 4.16Å; L453-F532 HydrophobicContact CD1-CE2 4.22Å; L453-F532 HydrophobicContact CD2-CE2 4.47Å; L453-F532 HydrophobicContact CD2-CZ 4.36Å
454	K	98.9	Very high	98.7	Very high	20 Å²	20	32.2 Å²	32.2	9%	0.087	17%	0.166	C	C	.	.	H	α-helix	trans	-62.7	-39	176.1	-70.6	176.8	-69.2	-173.4	0	112.3	F337 D341 L345 L419 M450 T451 L452 L457 I458	F337-K454 HydrophobicContact CD1-CD 4.34Å; F337-K454 HydrophobicContact CD1-CG 4.3Å; F337-K454 HydrophobicContact CE1-CD 3.91Å; F337-K454 HydrophobicContact CE1-CG 3.48Å; F337-K454 VanDerWaalsContact CE1-CG 3.48Å; F337-K454 HydrophobicContact CZ-CG 3.87Å; D341-K454 HydrophobicContact CB-CD 4.14Å; D341-K454 IonicContact OD1-NZ 3.83Å; D341-K454 PolarHBondContact OD1-NZ 3.14Å; L345-K454 HydrophobicContact CD1-CG 4.36Å; L345-K454 HydrophobicContact CD2-CB 3.97Å; L345-K454 HydrophobicContact CD2-CG 4.05Å; L345-K454 HydrophobicContact CG-CG 4.28Å; L419-K454 HydrophobicContact CD1-CB 4.26Å; L419-K454 HydrophobicContact CD2-CB 3.67Å; M450-K454 VanDerWaalsContact O-CE 3.27Å; M450-K454 WeakPolarHBondContact O-CE 3.49Å; M450-K454 WeakPolarHBondContact O-CG 3.24Å; M450-K454 PolarHBondContact O-N 3.47Å; T451-K454 PolarHBondContact O-N 3.15Å; L452-K454 PolarHBondContact O-N 3.48Å; K454-L457 PolarHBondContact O-N 2.91Å; K454-I458 PolarHBondContact O-N 3.38Å
455	M	98.9	Very high	98.7	Very high	14 Å²	14	29.4 Å²	29.4	7%	0.069	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-44.9	174.5	-68.6	166.4	66	0	0	111	T418 L419 A422 I431 T451 L452 L453 I458 K459	T418-M455 HydrophobicContact CG2-CG 4.1Å; T418-M455 HydrophobicContact CG2-SD 3.89Å; L419-M455 HydrophobicContact CD2-CB 4.5Å; L419-M455 HydrophobicContact CD2-CG 3.9Å; A422-M455 HydrophobicContact CB-CB 3.96Å; A422-M455 HydrophobicContact CB-CE 3.79Å; A422-M455 HydrophobicContact CB-CG 3.82Å; I431-M455 HydrophobicContact CB-CE 4.42Å; I431-M455 HydrophobicContact CD1-CE 3.63Å; I431-M455 HydrophobicContact CG1-CE 3.63Å; I431-M455 HydrophobicContact CG2-CB 4.26Å; I431-M455 HydrophobicContact CG2-CE 3.94Å; T451-M455 HydrophobicContact CG2-SD 4.13Å; T451-M455 WeakPolarHBondContact O-CG 3.4Å; T451-M455 PolarHBondContact O-N 2.7Å; L452-M455 HydrophobicContact CD2-SD 4.21Å; L452-M455 WeakPolarHBondContact O-CB 3.39Å; L452-M455 PolarHBondContact O-N 3.48Å; L453-M455 VanDerWaalsContact C-N 3.33Å; L453-M455 PolarHBondContact O-N 3.08Å; M455-I458 WeakPolarHBondContact O-CG2 3.19Å; M455-K459 WeakPolarHBondContact O-CB 3.21Å; M455-K459 VanDerWaalsContact O-CG 3.23Å; M455-K459 WeakPolarHBondContact O-CG 3.49Å; M455-K459 PolarHBondContact O-N 3.49Å; M455-K459 VanDerWaalsContact O-N 3.09Å
456	I	98.9	Very high	98.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.2	-41.3	175.8	-67.2	-64.2	0	0	0	111.6	I431 M432 F435 L452 L453 K459 C460 M524 V528	I431-I456 HydrophobicContact CG2-CD1 3.87Å; I431-I456 HydrophobicContact CG2-CG1 4.5Å; M432-I456 HydrophobicContact SD-CD1 3.54Å; M432-I456 VanDerWaalsContact SD-CD1 3.54Å; F435-I456 HydrophobicContact CB-CD1 4.17Å; F435-I456 HydrophobicContact CB-CG1 3.87Å; F435-I456 HydrophobicContact CD1-CB 4.44Å; F435-I456 HydrophobicContact CD1-CD1 4.23Å; F435-I456 HydrophobicContact CD1-CG1 3.65Å; F435-I456 HydrophobicContact CD1-CG2 4.42Å; F435-I456 HydrophobicContact CD2-CG1 4.12Å; F435-I456 HydrophobicContact CE1-CB 4.48Å; F435-I456 HydrophobicContact CE1-CG1 4.15Å; F435-I456 HydrophobicContact CE1-CG2 4.22Å; F435-I456 HydrophobicContact CG-CD1 4.33Å; F435-I456 HydrophobicContact CG-CG1 3.62Å; L452-I456 WeakPolarHBondContact O-CG1 3.22Å; L452-I456 PolarHBondContact O-N 3.34Å; L453-I456 PolarHBondContact O-N 3.4Å; I456-K459 PolarHBondContact O-N 2.67Å; I456-C460 WeakPolarHBondContact O-CB 3.31Å; I456-C460 PolarHBondContact O-N 3.1Å; I456-C460 PolarHBondContact O-SG 3.24Å; I456-M524 HydrophobicContact CG2-CG 4.42Å; I456-V528 HydrophobicContact CG2-CG2 3.44Å; I456-V528 VanDerWaalsContact CG2-CG2 3.44Å
457	L	98.9	Very high	98.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62	-45.2	178.9	-72.7	170.4	0	0	0	112.3	M324 M327 L333 F337 L345 L453 K454 C460 C461	M324-L457 HydrophobicContact CE-CB 4.19Å; M327-L457 HydrophobicContact CE-CD2 3.58Å; M327-L457 HydrophobicContact SD-CD2 4.22Å; L333-L457 HydrophobicContact CD1-CD1 4Å; F337-L457 HydrophobicContact CE2-CD1 3.77Å; F337-L457 HydrophobicContact CZ-CD1 3.92Å; L345-L457 HydrophobicContact CD2-CB 4.28Å; L453-L457 HydrophobicContact CD1-CD1 4.34Å; L453-L457 HydrophobicContact CD1-CG 4.22Å; L453-L457 HydrophobicContact CG-CD1 4.08Å; L453-L457 HydrophobicContact CG-CG 4.42Å; L453-L457 WeakPolarHBondContact O-CB 3.21Å; L453-L457 VanDerWaalsContact O-CG 3.27Å; L453-L457 WeakPolarHBondContact O-CG 3.49Å; L453-L457 PolarHBondContact O-N 3.3Å; K454-L457 PolarHBondContact O-N 2.91Å; L457-C460 WeakPolarHBondContact O-CB 3.5Å; L457-C460 PolarHBondContact O-N 3.23Å; L457-C461 PolarHBondContact O-N 3.28Å; L457-C461 PolarHBondContact O-SG 3.43Å
458	I	98.9	Very high	98.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.5	-40.9	176.5	-169.5	170.3	0	0	0	111.1	M324 A348 H352 L419 T423 K454 M455 C460 C461 D462	M324-I458 HydrophobicContact CE-CB 4.2Å; A348-I458 HydrophobicContact CB-CD1 3.8Å; H352-I458 HydrophobicContact CB-CD1 4.48Å; L419-I458 HydrophobicContact CB-CD1 3.96Å; L419-I458 HydrophobicContact CB-CG2 4.15Å; L419-I458 HydrophobicContact CD2-CG2 4.32Å; T423-I458 HydrophobicContact CG2-CD1 4.17Å; T423-I458 HydrophobicContact CG2-CG1 4.19Å; K454-I458 PolarHBondContact O-N 3.38Å; M455-I458 WeakPolarHBondContact O-CG2 3.19Å; I458-C460 PolarHBondContact O-N 2.88Å; I458-C461 PolarHBondContact O-N 2.89Å; I458-D462 VanDerWaalsContact O-CB 3.29Å; I458-D462 WeakPolarHBondContact O-CB 3.38Å; I458-D462 PolarHBondContact O-N 3.42Å
459	K	98.9	Very high	98.8	Very high	1 Å²	1	11.7 Å²	11.7	0%	0.004	6%	0.064	C	C	.	.	H	α-helix	trans	-62.5	-42.3	175	-69	-175.4	79.5	59.2	0	112	A422 T423 M425 I431 M455 I456 C461 D462 I463 M524	A422-K459 WeakPolarHBondContact O-CD 3.43Å; A422-K459 WeakPolarHBondContact O-CE 3.38Å; A422-K459 WeakPolarHBondContact O-CG 3.29Å; A422-K459 PolarHBondContact O-NZ 2.71Å; T423-K459 PolarHBondContact O-NZ 2.63Å; T423-K459 VanDerWaalsContact O-NZ 3.15Å; M425-K459 PolarHBondContact SD-NZ 3.39Å; I431-K459 HydrophobicContact CD1-CD 4.17Å; I431-K459 HydrophobicContact CG2-CD 4.32Å; M455-K459 WeakPolarHBondContact O-CB 3.21Å; M455-K459 VanDerWaalsContact O-CG 3.23Å; M455-K459 WeakPolarHBondContact O-CG 3.49Å; M455-K459 PolarHBondContact O-N 3.49Å; M455-K459 VanDerWaalsContact O-N 3.09Å; I456-K459 PolarHBondContact O-N 2.67Å; K459-C461 VanDerWaalsContact C-N 3.29Å; K459-C461 PolarHBondContact O-N 2.73Å; K459-D462 PolarHBondContact O-N 3.1Å; K459-I463 VanDerWaalsContact O-CG1 3.24Å; K459-I463 WeakPolarHBondContact O-CG1 3.32Å; K459-I463 PolarHBondContact O-N 3.11Å; K459-M524 HydrophobicContact CB-SD 4.1Å
460	C	98.9	Very high	98.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-55.1	-47	173.2	-83.1	0	0	0	0	111.3	M327 I456 L457 I458 S464 M524 F525	M327-C460 HydrophobicContact SD-CB 4.25Å; I456-C460 WeakPolarHBondContact O-CB 3.31Å; I456-C460 PolarHBondContact O-N 3.1Å; I456-C460 PolarHBondContact O-SG 3.24Å; L457-C460 WeakPolarHBondContact O-CB 3.5Å; L457-C460 PolarHBondContact O-N 3.23Å; I458-C460 PolarHBondContact O-N 2.88Å; C460-S464 WeakPolarHBondContact O-CB 3.41Å; C460-S464 PolarHBondContact O-N 2.87Å; C460-M524 HydrophobicContact CB-CE 4.35Å; C460-F525 HydrophobicContact CB-CE1 4.02Å; C460-F525 HydrophobicContact CB-CE2 4.37Å; C460-F525 HydrophobicContact CB-CZ 3.73Å
461	C	98.9	Very high	98.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-69.2	-41	-178	-63.4	0	0	0	0	112.7	V320 M323 M324 M327 L457 I458 K459 S464	V320-C461 HydrophobicContact CG1-CB 3.9Å; M323-C461 HydrophobicContact CB-CB 4.09Å; M323-C461 HydrophobicContact CG-CB 4.18Å; M324-C461 WeakPolarHBondContact CA-SG 3.38Å; M324-C461 HydrophobicContact CE-CB 4.37Å; M324-C461 PolarHBondContact N-SG 3.37Å; M324-C461 VanDerWaalsContact N-SG 3.41Å; M327-C461 VanDerWaalsContact SD-SG 3.65Å; L457-C461 PolarHBondContact O-N 3.28Å; L457-C461 PolarHBondContact O-SG 3.43Å; I458-C461 PolarHBondContact O-N 2.89Å; K459-C461 VanDerWaalsContact C-N 3.29Å; K459-C461 PolarHBondContact O-N 2.73Å; C461-S464 VanDerWaalsContact O-CB 3.29Å; C461-S464 WeakPolarHBondContact O-CB 3.41Å; C461-S464 PolarHBondContact O-N 2.81Å; C461-S464 PolarHBondContact O-OG 3.29Å
462	D	98.9	Very high	98.5	Very high	16 Å²	16	16.8 Å²	16.8	9%	0.086	9%	0.085	C	C	.	.	H	α-helix	trans	-55.5	-54.9	180	178.6	5	0	0	0	111.2	H316 V320 H352 T423 I458 K459 S464	H316-D462 IonicContact CE1-OD1 3.26Å; H316-D462 IonicContact NE2-OD1 3.48Å; V320-D462 HydrophobicContact CG1-CB 4.47Å; H352-D462 IonicContact NE2-OD1 3.48Å; T423-D462 WeakPolarHBondContact CB-OD2 3.35Å; I458-D462 VanDerWaalsContact O-CB 3.29Å; I458-D462 WeakPolarHBondContact O-CB 3.38Å; I458-D462 PolarHBondContact O-N 3.42Å; K459-D462 PolarHBondContact O-N 3.1Å; D462-S464 VanDerWaalsContact C-N 3.33Å; D462-S464 PolarHBondContact O-N 3.26Å
463	I	98.7	Very high	98.4	Very high	23 Å²	23	16.1 Å²	16.1	12%	0.118	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	26.3	-178.1	60	170.5	0	0	0	113.7	M425 K459 N465 F516 V520 L521 M524	M425-I463 HydrophobicContact CE-CD1 4.32Å; M425-I463 HydrophobicContact SD-CD1 4.47Å; K459-I463 VanDerWaalsContact O-CG1 3.24Å; K459-I463 WeakPolarHBondContact O-CG1 3.32Å; K459-I463 PolarHBondContact O-N 3.11Å; I463-N465 PolarHBondContact O-N 3.2Å; I463-F516 HydrophobicContact CB-CE1 4.11Å; I463-F516 HydrophobicContact CB-CZ 3.78Å; I463-F516 HydrophobicContact CD1-CE1 4.38Å; I463-F516 HydrophobicContact CD1-CE2 4.39Å; I463-F516 HydrophobicContact CD1-CZ 3.68Å; I463-F516 HydrophobicContact CG1-CZ 4.29Å; I463-F516 HydrophobicContact CG2-CZ 3.91Å; I463-V520 HydrophobicContact CD1-CG1 3.72Å; I463-L521 HydrophobicContact CB-CD2 4.03Å; I463-L521 HydrophobicContact CD1-CD2 3.49Å; I463-L521 VanDerWaalsContact CD1-CD2 3.49Å; I463-L521 HydrophobicContact CG1-CD2 3.55Å; I463-L521 WeakPolarHBondContact O-CD2 3.4Å; I463-M524 HydrophobicContact CD1-CE 3.64Å; I463-M524 HydrophobicContact CG1-CE 3.8Å
464	S	98.8	Very high	98.2	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.007	9%	0.093	C	C	.	.			trans	-82.7	2.9	-171.7	65.8	0	0	0	0	116.5	M323 C460 C461 D462 E466 V467	M323-S464 WeakPolarHBondContact CG-OG 3.43Å; C460-S464 WeakPolarHBondContact O-CB 3.41Å; C460-S464 PolarHBondContact O-N 2.87Å; C461-S464 VanDerWaalsContact O-CB 3.29Å; C461-S464 WeakPolarHBondContact O-CB 3.41Å; C461-S464 PolarHBondContact O-N 2.81Å; C461-S464 PolarHBondContact O-OG 3.29Å; D462-S464 VanDerWaalsContact C-N 3.33Å; D462-S464 PolarHBondContact O-N 3.26Å; S464-E466 VanDerWaalsContact C-N 3.27Å; S464-E466 PolarHBondContact O-N 3Å; S464-E466 VanDerWaalsContact O-N 3.16Å; S464-V467 WeakPolarHBondContact O-CB 3.49Å; S464-V467 PolarHBondContact O-N 3.32Å
465	N	98.8	Very high	98.2	Very high	15 Å²	15	19.8 Å²	19.8	8%	0.08	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-54.6	-41.6	-171.5	-73.5	-28.9	0	0	0	113.2	F311 I463 V467 R468 A473 W476	F311-N465 WeakPolarHBondContact CE2-ND2 3.35Å; I463-N465 PolarHBondContact O-N 3.2Å; N465-V467 PolarHBondContact O-N 2.93Å; N465-R468 VanDerWaalsContact O-CB 3.31Å; N465-R468 WeakPolarHBondContact O-CB 3.46Å; N465-R468 PolarHBondContact O-N 3.17Å; N465-R468 VanDerWaalsContact O-N 3.09Å; N465-A473 WeakPolarHBondContact O-CB 3.41Å; N465-W476 HydrophobicContact CB-CB 4.24Å; N465-W476 HydrophobicContact CB-CG 4.38Å
466	E	98.7	Very high	98.2	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.014	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-74.1	-4.3	179.2	-66.6	-65.7	168.9	0	0	114.4	S464 R468 V477 Q513 I517 L521 L543 S546 Y550	S464-E466 VanDerWaalsContact C-N 3.27Å; S464-E466 PolarHBondContact O-N 3Å; S464-E466 VanDerWaalsContact O-N 3.16Å; E466-R468 VanDerWaalsContact C-N 3.33Å; E466-V477 WeakPolarHBondContact OE1-CG2 3.15Å; E466-Q513 PolarHBondContact OE1-NE2 2.96Å; E466-I517 HydrophobicContact CB-CD1 4.37Å; E466-I517 HydrophobicContact CB-CG1 4.28Å; E466-I517 HydrophobicContact CG-CD1 4.05Å; E466-I517 HydrophobicContact CG-CG1 4.11Å; E466-L521 HydrophobicContact CB-CD1 3.93Å; E466-L521 HydrophobicContact CG-CD1 4.35Å; E466-L543 HydrophobicContact CB-CD2 3.73Å; E466-L543 WeakPolarHBondContact O-CD2 3.42Å; E466-S546 PolarHBondContact OE2-OG 3.15Å; E466-Y550 WeakPolarHBondContact OE1-CE2 2.73Å; E466-Y550 PolarHBondContact OE1-OH 2.93Å; E466-Y550 WeakPolarHBondContact OE2-CE2 3.49Å
467	V	98.8	Very high	98.1	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.024	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-78.9	-23.4	168.5	175.4	0	0	0	0	111.2	M323 S464 N465 F525 M539 P542 L543	M323-V467 HydrophobicContact CE-CB 4.41Å; M323-V467 HydrophobicContact CE-CG1 4.32Å; S464-V467 WeakPolarHBondContact O-CB 3.49Å; S464-V467 PolarHBondContact O-N 3.32Å; N465-V467 PolarHBondContact O-N 2.93Å; V467-F525 HydrophobicContact CG2-CE1 4.32Å; V467-F525 HydrophobicContact CG2-CE2 3.99Å; V467-F525 HydrophobicContact CG2-CZ 3.81Å; V467-M539 HydrophobicContact CG1-CB 3.62Å; V467-M539 HydrophobicContact CG1-CE 3.76Å; V467-M539 HydrophobicContact CG1-CG 3.74Å; V467-M539 HydrophobicContact CG2-CB 4.41Å; V467-M539 HydrophobicContact CG2-CE 4.49Å; V467-P542 WeakPolarHBondContact O-CB 3.47Å; V467-L543 HydrophobicContact CG2-CD1 4.03Å; V467-L543 HydrophobicContact CG2-CD2 4.01Å; V467-L543 HydrophobicContact CG2-CG 4Å
468	R	98.8	Very high	98	Very high	4 Å²	4	23 Å²	23	2%	0.015	12%	0.12	C	C	.	.	S	Bend	trans	-74.7	161.8	-178.1	-59.3	-177.1	175.2	-81.1	-1.5	110.7	P259 F261 C319 M323 N465 E466 V472	P259-R468 PolarHBondContact O-NH1 3.4Å; F261-R468 PolarHBondContact O-NH1 2.77Å; C319-R468 PolarHBondContact O-NH2 2.61Å; M323-R468 HydrophobicContact CE-CG 4.1Å; N465-R468 VanDerWaalsContact O-CB 3.31Å; N465-R468 WeakPolarHBondContact O-CB 3.46Å; N465-R468 PolarHBondContact O-N 3.17Å; N465-R468 VanDerWaalsContact O-N 3.09Å; E466-R468 VanDerWaalsContact C-N 3.33Å; R468-V472 HydrophobicContact CB-CB 4.21Å; R468-V472 HydrophobicContact CB-CG1 4.24Å
469	P	98.5	Very high	97.9	Very high	43 Å²	43	24.2 Å²	24.2	28%	0.279	13%	0.128	S	C	.	.			trans	-50.6	145.5	169.5	-26.6	35.2	0	0	0	111.5	T260 E471 V472 A473	T260-P469 HydrophobicContact CG2-CG 4.12Å; P469-E471 PolarHBondContact O-N 2.82Å; P469-E471 VanDerWaalsContact O-N 3.17Å; P469-V472 HydrophobicContact CB-CG2 4.32Å; P469-V472 WeakPolarHBondContact O-CA 3.45Å; P469-V472 WeakPolarHBondContact O-CB 3.47Å; P469-V472 PolarHBondContact O-N 3.17Å; P469-A473 PolarHBondContact O-N 3.42Å
470	M	94.8	Very high	97.9	Very high	36 Å²	36	25.5 Å²	25.5	18%	0.177	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-37.3	-168.5	-174.4	54.7	-166.1	0	0	112.9	V472 A473 E474 Y550	M470-V472 PolarHBondContact O-N 2.71Å; M470-A473 PolarHBondContact O-N 2.93Å; M470-E474 HydrophobicContact CE-CB 3.44Å; M470-E474 VanDerWaalsContact CE-CB 3.44Å; M470-E474 HydrophobicContact CE-CG 3.59Å; M470-E474 WeakPolarHBondContact O-CB 3.37Å; M470-E474 PolarHBondContact O-N 3.4Å; M470-E474 HydrophobicContact SD-CB 4.35Å; M470-Y550 HydrophobicContact CE-CE1 4.2Å; M470-Y550 HydrophobicContact CE-CE2 4.44Å; M470-Y550 WeakPolarHBondContact CE-OH 3.5Å
471	E	95.9	Very high	97.7	Very high	151 Å²	151	26.1 Å²	26.1	71%	0.706	14%	0.138	S	C	*	.	H	α-helix	trans	-64.3	-25.1	178.9	-57.6	73.5	-158.4	0	0	112.1	P469 P475	P469-E471 PolarHBondContact O-N 2.82Å; P469-E471 VanDerWaalsContact O-N 3.17Å; E471-P475 WeakPolarHBondContact O-CD 3.39Å
472	V	97.9	Very high	97.7	Very high	6 Å²	6	31.4 Å²	31.4	4%	0.036	16%	0.163	C	C	.	.	H	α-helix	trans	-90.3	-35.6	176.4	-173.7	0	0	0	0	111	D262 V263 W264 R468 P469 M470	D262-V472 HydrophobicContact CB-CG2 4.12Å; V263-V472 HydrophobicContact CG2-CG1 3.81Å; W264-V472 PolarHBondContact NE1-O 3.27Å; R468-V472 HydrophobicContact CB-CB 4.21Å; R468-V472 HydrophobicContact CB-CG1 4.24Å; P469-V472 HydrophobicContact CB-CG2 4.32Å; P469-V472 WeakPolarHBondContact O-CA 3.45Å; P469-V472 WeakPolarHBondContact O-CB 3.47Å; P469-V472 PolarHBondContact O-N 3.17Å; M470-V472 PolarHBondContact O-N 2.71Å
473	A	98	Very high	97.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-76.1	-45.5	-177.7	0	0	0	0	0	113.2	N465 P469 M470 P475 W476	N465-A473 WeakPolarHBondContact O-CB 3.41Å; P469-A473 PolarHBondContact O-N 3.42Å; M470-A473 PolarHBondContact O-N 2.93Å; A473-P475 VanDerWaalsContact C-CD 3.48Å; A473-W476 WeakPolarHBondContact O-CB 3.42Å; A473-W476 PolarHBondContact O-N 2.94Å
474	E	95.1	Very high	97.6	Very high	54 Å²	54	32.6 Å²	32.6	25%	0.252	17%	0.165	S	C	.	.	H	α-helix	trans	-55.9	-43	-171.2	-165.7	161.9	-152	0	0	114.5	M470 W476 V477 R549	M470-E474 HydrophobicContact CE-CB 3.44Å; M470-E474 VanDerWaalsContact CE-CB 3.44Å; M470-E474 HydrophobicContact CE-CG 3.59Å; M470-E474 WeakPolarHBondContact O-CB 3.37Å; M470-E474 PolarHBondContact O-N 3.4Å; M470-E474 HydrophobicContact SD-CB 4.35Å; E474-W476 PolarHBondContact O-N 3.31Å; E474-V477 WeakPolarHBondContact O-CB 3.31Å; E474-V477 PolarHBondContact O-N 3.07Å; E474-R549 IonicContact OE1-CZ 2.64Å; E474-R549 IonicContact OE1-NH1 2.77Å; E474-R549 PolarHBondContact OE1-NH1 3.09Å; E474-R549 IonicContact OE1-NH2 3.79Å; E474-R549 PolarHBondContact OE1-NH2 3.01Å; E474-R549 IonicContact OE2-CZ 3.09Å; E474-R549 IonicContact OE2-NH2 3.43Å; E474-R549 PolarHBondContact OE2-NH2 3.22Å
475	P	98	Very high	97.6	Very high	44 Å²	44	34.8 Å²	34.8	29%	0.286	18%	0.175	S	C	.	.	H	α-helix	trans	-62.9	-27	179	-21.9	34.3	0	0	0	113.3	W264 E471 A473 V477 D478 C479	W264-P475 HydrophobicContact CH2-CB 4.37Å; W264-P475 HydrophobicContact CZ2-CB 3.7Å; E471-P475 WeakPolarHBondContact O-CD 3.39Å; A473-P475 VanDerWaalsContact C-CD 3.48Å; P475-V477 VanDerWaalsContact C-N 3.26Å; P475-V477 PolarHBondContact O-N 2.97Å; P475-D478 WeakPolarHBondContact O-CB 3.5Å; P475-D478 PolarHBondContact O-N 2.75Å; P475-C479 PolarHBondContact O-N 3.4Å; P475-C479 PolarHBondContact O-SG 3.44Å; P475-C479 VanDerWaalsContact O-SG 3.41Å
476	W	98.7	Very high	97.5	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.011	19%	0.189	C	C	.	.	H	α-helix	trans	-66.9	-28.6	175.6	-78.7	111	0	0	0	112.9	W264 F311 R315 H316 C319 N465 A473 E474 C479 L480	W264-W476 AromaticContact CE2-NE1 3.78Å; W264-W476 AromaticContact CH2-CD2 3.99Å; W264-W476 HydrophobicContact CH2-CD2 3.99Å; W264-W476 AromaticContact CH2-CE2 3.78Å; W264-W476 HydrophobicContact CH2-CE3 4.33Å; W264-W476 HydrophobicContact CH2-CG 4.47Å; W264-W476 HydrophobicContact CH2-CH2 4.29Å; W264-W476 AromaticContact CH2-CZ2 3.95Å; W264-W476 HydrophobicContact CH2-CZ2 3.95Å; W264-W476 HydrophobicContact CH2-CZ3 4.47Å; W264-W476 AromaticContact CZ2-CD1 3.54Å; W264-W476 AromaticContact CZ2-CD2 3.7Å; W264-W476 HydrophobicContact CZ2-CD2 3.7Å; W264-W476 AromaticContact CZ2-CE2 3.45Å; W264-W476 VanDerWaalsContact CZ2-CE2 3.45Å; W264-W476 HydrophobicContact CZ2-CE3 4.46Å; W264-W476 AromaticContact CZ2-CG 3.76Å; W264-W476 HydrophobicContact CZ2-CG 3.76Å; W264-W476 HydrophobicContact CZ2-CZ2 4.04Å; W264-W476 AromaticContact CZ2-NE1 3.34Å; W264-W476 VanDerWaalsContact CZ2-NE1 3.34Å; W264-W476 AromaticContact NE1-NE1 4Å; F311-W476 AromaticContact CD2-CE3 3.71Å; F311-W476 HydrophobicContact CD2-CE3 3.71Å; F311-W476 HydrophobicContact CD2-CZ3 4.23Å; F311-W476 HydrophobicContact CE2-CB 4.46Å; F311-W476 AromaticContact CE2-CE3 3.85Å; F311-W476 HydrophobicContact CE2-CE3 3.85Å; F311-W476 HydrophobicContact CG-CE3 4.5Å; R315-W476 HydrophobicContact CB-CH2 3.97Å; R315-W476 HydrophobicContact CB-CZ2 4.18Å; R315-W476 HydrophobicContact CG-CH2 4.13Å; R315-W476 HydrophobicContact CG-CZ2 3.81Å; H316-W476 HydrophobicContact CB-CH2 3.84Å; H316-W476 HydrophobicContact CB-CZ3 4.03Å; C319-W476 WeakPolarHBondContact SG-CZ2 3.35Å; N465-W476 HydrophobicContact CB-CB 4.24Å; N465-W476 HydrophobicContact CB-CG 4.38Å; A473-W476 WeakPolarHBondContact O-CB 3.42Å; A473-W476 PolarHBondContact O-N 2.94Å; E474-W476 PolarHBondContact O-N 3.31Å; W476-C479 HydrophobicContact CE3-CB 4.18Å; W476-C479 PolarHBondContact O-N 3.36Å; W476-L480 WeakPolarHBondContact O-CB 3.37Å; W476-L480 PolarHBondContact O-N 3.41Å
477	V	97.3	Very high	97.5	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-69.1	-37.8	176.7	-175.2	0	0	0	0	110.7	E466 E474 P475 L480 L481 K509 Q513 Y550	E466-V477 WeakPolarHBondContact OE1-CG2 3.15Å; E474-V477 WeakPolarHBondContact O-CB 3.31Å; E474-V477 PolarHBondContact O-N 3.07Å; P475-V477 VanDerWaalsContact C-N 3.26Å; P475-V477 PolarHBondContact O-N 2.97Å; V477-L480 PolarHBondContact O-N 3.45Å; V477-L481 HydrophobicContact CG1-CD1 4.25Å; V477-L481 HydrophobicContact CG1-CG 4.42Å; V477-L481 WeakPolarHBondContact O-CB 3.25Å; V477-L481 VanDerWaalsContact O-CG 3.31Å; V477-L481 WeakPolarHBondContact O-CG 3.34Å; V477-L481 PolarHBondContact O-N 2.84Å; V477-K509 HydrophobicContact CG1-CB 4.1Å; V477-K509 HydrophobicContact CG1-CG 4.04Å; V477-Q513 HydrophobicContact CG1-CG 3.89Å; V477-Q513 HydrophobicContact CG2-CG 3.85Å; V477-Y550 WeakPolarHBondContact CG2-OH 3.19Å
478	D	95.8	Very high	97.5	Very high	77 Å²	77	37.5 Å²	37.5	41%	0.412	19%	0.188	S	C	.	.	H	α-helix	trans	-60.8	-50.1	171.9	-75.5	-53.8	0	0	0	111.2	P475 L480 L481 E482 K509	P475-D478 WeakPolarHBondContact O-CB 3.5Å; P475-D478 PolarHBondContact O-N 2.75Å; D478-L480 VanDerWaalsContact C-N 3.31Å; D478-L480 PolarHBondContact O-N 2.96Å; D478-L481 PolarHBondContact O-N 3.43Å; D478-E482 WeakPolarHBondContact O-CB 3.49Å; D478-E482 PolarHBondContact O-N 2.94Å; D478-K509 VanDerWaalsContact CG-CE 3.44Å; D478-K509 WeakPolarHBondContact OD1-CE 3.15Å; D478-K509 IonicContact OD1-NZ 2.78Å; D478-K509 PolarHBondContact OD1-NZ 2.96Å; D478-K509 IonicContact OD2-NZ 3.56Å; D478-K509 PolarHBondContact OD2-NZ 3.44Å
479	C	98.2	Very high	97.4	Very high	25 Å²	25	40 Å²	40	17%	0.169	20%	0.201	C	C	.	.	H	α-helix	trans	-56.1	-44.7	176.6	-68.8	0	0	0	0	112.3	P310 F311 P475 W476 E482 E483	P310-C479 WeakPolarHBondContact CB-O 3.44Å; P310-C479 VanDerWaalsContact O-CB 3.27Å; P310-C479 WeakPolarHBondContact O-CB 3.27Å; F311-C479 HydrophobicContact CB-CB 4.38Å; F311-C479 HydrophobicContact CD2-CB 4.33Å; P475-C479 PolarHBondContact O-N 3.4Å; P475-C479 PolarHBondContact O-SG 3.44Å; P475-C479 VanDerWaalsContact O-SG 3.41Å; W476-C479 HydrophobicContact CE3-CB 4.18Å; W476-C479 PolarHBondContact O-N 3.36Å; C479-E482 PolarHBondContact O-N 3.35Å; C479-E483 PolarHBondContact O-N 3.37Å; C479-E483 VanDerWaalsContact O-N 3.14Å
480	L	97.5	Very high	97.4	Very high	27 Å²	27	42.3 Å²	42.3	14%	0.141	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-48.2	179.3	-177.6	63.2	0	0	0	111.6	F311 W476 V477 D478 E483 Y484	F311-L480 HydrophobicContact CD1-CD1 4.15Å; F311-L480 HydrophobicContact CD2-CB 3.6Å; F311-L480 HydrophobicContact CD2-CD1 3.93Å; F311-L480 HydrophobicContact CD2-CG 4.34Å; F311-L480 HydrophobicContact CE1-CD1 4.34Å; F311-L480 HydrophobicContact CE2-CB 3.98Å; F311-L480 HydrophobicContact CE2-CD1 4.11Å; F311-L480 HydrophobicContact CE2-CG 4.49Å; F311-L480 HydrophobicContact CG-CB 4.28Å; F311-L480 HydrophobicContact CG-CD1 3.94Å; F311-L480 HydrophobicContact CZ-CD1 4.32Å; W476-L480 WeakPolarHBondContact O-CB 3.37Å; W476-L480 PolarHBondContact O-N 3.41Å; V477-L480 PolarHBondContact O-N 3.45Å; D478-L480 VanDerWaalsContact C-N 3.31Å; D478-L480 PolarHBondContact O-N 2.96Å; L480-E483 PolarHBondContact O-N 3.15Å; L480-Y484 HydrophobicContact CD1-CD1 3.99Å; L480-Y484 HydrophobicContact CD1-CE1 3.51Å; L480-Y484 HydrophobicContact CD1-CE2 4.18Å; L480-Y484 HydrophobicContact CD2-CE2 4.42Å; L480-Y484 HydrophobicContact CG-CD1 4.48Å; L480-Y484 HydrophobicContact CG-CD2 4.41Å; L480-Y484 HydrophobicContact CG-CE1 4.28Å; L480-Y484 HydrophobicContact CG-CE2 4.18Å; L480-Y484 WeakPolarHBondContact O-CB 3.38Å; L480-Y484 PolarHBondContact O-N 2.94Å
481	L	96.4	Very high	97.6	Very high	13 Å²	13	40.7 Å²	40.7	7%	0.068	20%	0.196	C	C	.	.	H	α-helix	trans	-66.6	-37.8	-179.9	-70.3	-178.4	0	0	0	111.7	V477 D478 E483 Y484 F485 V507 K509 A512	V477-L481 HydrophobicContact CG1-CD1 4.25Å; V477-L481 HydrophobicContact CG1-CG 4.42Å; V477-L481 WeakPolarHBondContact O-CB 3.25Å; V477-L481 VanDerWaalsContact O-CG 3.31Å; V477-L481 WeakPolarHBondContact O-CG 3.34Å; V477-L481 PolarHBondContact O-N 2.84Å; D478-L481 PolarHBondContact O-N 3.43Å; L481-E483 VanDerWaalsContact C-N 3.32Å; L481-E483 PolarHBondContact O-N 3.24Å; L481-Y484 PolarHBondContact O-N 3.38Å; L481-F485 HydrophobicContact CB-CD2 4.32Å; L481-F485 HydrophobicContact CB-CE2 3.86Å; L481-F485 HydrophobicContact CB-CZ 3.98Å; L481-F485 HydrophobicContact CD1-CZ 4.32Å; L481-F485 HydrophobicContact CD2-CE1 4.17Å; L481-F485 HydrophobicContact CD2-CZ 3.97Å; L481-F485 HydrophobicContact CG-CZ 4.32Å; L481-F485 VanDerWaalsContact O-CB 3.23Å; L481-F485 WeakPolarHBondContact O-CB 3.26Å; L481-F485 WeakPolarHBondContact O-CD1 3.49Å; L481-F485 WeakPolarHBondContact O-CD2 3.32Å; L481-F485 WeakPolarHBondContact O-CG 3.48Å; L481-F485 PolarHBondContact O-N 2.95Å; L481-V507 HydrophobicContact CD2-CG1 3.77Å; L481-K509 HydrophobicContact CD1-CB 4.48Å; L481-K509 HydrophobicContact CD1-CG 3.83Å; L481-A512 HydrophobicContact CD2-CB 4.19Å
482	E	98.2	Very high	97.6	Very high	112 Å²	112	37.3 Å²	37.3	52%	0.523	18%	0.18	S	C	.	.	H	α-helix	trans	-57.2	-46.9	173.6	-172.8	178	168.7	0	0	111	P310 D478 C479 F485 M486	P310-E482 HydrophobicContact CB-CB 4.02Å; P310-E482 HydrophobicContact CB-CG 4.1Å; P310-E482 HydrophobicContact CG-CB 4.26Å; P310-E482 HydrophobicContact CG-CG 3.85Å; D478-E482 WeakPolarHBondContact O-CB 3.49Å; D478-E482 PolarHBondContact O-N 2.94Å; C479-E482 PolarHBondContact O-N 3.35Å; E482-F485 PolarHBondContact O-N 3.35Å; E482-M486 WeakPolarHBondContact O-CG 3.47Å; E482-M486 PolarHBondContact O-N 3.47Å
483	E	98.3	Very high	97.7	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.019	21%	0.209	C	C	.	.	H	α-helix	trans	-66.5	-43.3	177.6	-162.1	170.8	135.9	0	0	112.9	N309 P310 F311 H312 H356 G358 C479 L480 L481 F485 M486 Q487	N309-E483 VanDerWaalsContact CB-OE2 3.32Å; N309-E483 WeakPolarHBondContact CB-OE2 3.43Å; P310-E483 HydrophobicContact CB-CB 4.36Å; P310-E483 HydrophobicContact CG-CB 4.47Å; F311-E483 WeakPolarHBondContact CA-OE2 3.29Å; F311-E483 HydrophobicContact CB-CB 4.33Å; F311-E483 WeakPolarHBondContact CB-OE2 3.31Å; F311-E483 PolarHBondContact N-OE2 3.39Å; H312-E483 IonicContact CE1-OE1 3.85Å; H312-E483 IonicContact CG-OE1 2.75Å; H312-E483 PolarHBondContact N-OE2 3.02Å; H312-E483 IonicContact ND1-OE1 2.79Å; H312-E483 PolarHBondContact ND1-OE1 2.98Å; H312-E483 IonicContact ND1-OE2 2.92Å; H356-E483 IonicContact CE1-OE1 3.66Å; H356-E483 IonicContact ND1-OE1 2.68Å; G358-E483 VanDerWaalsContact CA-OE1 3.29Å; G358-E483 WeakPolarHBondContact CA-OE1 3.45Å; C479-E483 PolarHBondContact O-N 3.37Å; C479-E483 VanDerWaalsContact O-N 3.14Å; L480-E483 PolarHBondContact O-N 3.15Å; L481-E483 VanDerWaalsContact C-N 3.32Å; L481-E483 PolarHBondContact O-N 3.24Å; E483-F485 VanDerWaalsContact C-N 3.32Å; E483-F485 PolarHBondContact O-N 3.09Å; E483-M486 HydrophobicContact CB-CE 4.39Å; E483-M486 HydrophobicContact CG-CE 4.22Å; E483-M486 PolarHBondContact O-N 3.47Å; E483-Q487 PolarHBondContact O-N 2.91Å
484	Y	97.3	Very high	97.6	Very high	59 Å²	59	45.5 Å²	45.5	23%	0.231	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-38.3	176.4	-78.9	11.7	0	0	0	112.4	L480 L481 Q487 S488 F501 M502	L480-Y484 HydrophobicContact CD1-CD1 3.99Å; L480-Y484 HydrophobicContact CD1-CE1 3.51Å; L480-Y484 HydrophobicContact CD1-CE2 4.18Å; L480-Y484 HydrophobicContact CD2-CE2 4.42Å; L480-Y484 HydrophobicContact CG-CD1 4.48Å; L480-Y484 HydrophobicContact CG-CD2 4.41Å; L480-Y484 HydrophobicContact CG-CE1 4.28Å; L480-Y484 HydrophobicContact CG-CE2 4.18Å; L480-Y484 WeakPolarHBondContact O-CB 3.38Å; L480-Y484 PolarHBondContact O-N 2.94Å; L481-Y484 PolarHBondContact O-N 3.38Å; Y484-Q487 PolarHBondContact O-N 3.44Å; Y484-S488 PolarHBondContact O-N 3.35Å; Y484-S488 PolarHBondContact O-OG 3.37Å; Y484-F501 HydrophobicContact CE2-CD2 4.2Å; Y484-F501 HydrophobicContact CE2-CE2 4.17Å; Y484-M502 HydrophobicContact CD1-CE 3.22Å; Y484-M502 HydrophobicContact CD2-CB 4.4Å; Y484-M502 HydrophobicContact CD2-CE 3.86Å; Y484-M502 HydrophobicContact CD2-CG 3.82Å; Y484-M502 HydrophobicContact CE1-CE 3.36Å; Y484-M502 HydrophobicContact CE2-CE 4Å; Y484-M502 HydrophobicContact CE2-CG 4.28Å; Y484-M502 HydrophobicContact CG-CB 4.45Å; Y484-M502 HydrophobicContact CG-CE 3.47Å; Y484-M502 VanDerWaalsContact CG-CE 3.47Å; Y484-M502 HydrophobicContact CG-CG 4.07Å
485	F	97.8	Very high	97.8	Very high	47 Å²	47	46.2 Å²	46.2	21%	0.206	25%	0.25	C	C	.	.	H	α-helix	trans	-72.8	-36.4	178.3	-62.4	-16.8	0	0	0	111.6	L481 E482 E483 Q487 S488 D489 M502 R504 V507	L481-F485 HydrophobicContact CB-CD2 4.32Å; L481-F485 HydrophobicContact CB-CE2 3.86Å; L481-F485 HydrophobicContact CB-CZ 3.98Å; L481-F485 HydrophobicContact CD1-CZ 4.32Å; L481-F485 HydrophobicContact CD2-CE1 4.17Å; L481-F485 HydrophobicContact CD2-CZ 3.97Å; L481-F485 HydrophobicContact CG-CZ 4.32Å; L481-F485 VanDerWaalsContact O-CB 3.23Å; L481-F485 WeakPolarHBondContact O-CB 3.26Å; L481-F485 WeakPolarHBondContact O-CD1 3.49Å; L481-F485 WeakPolarHBondContact O-CD2 3.32Å; L481-F485 WeakPolarHBondContact O-CG 3.48Å; L481-F485 PolarHBondContact O-N 2.95Å; E482-F485 PolarHBondContact O-N 3.35Å; E483-F485 VanDerWaalsContact C-N 3.32Å; E483-F485 PolarHBondContact O-N 3.09Å; F485-Q487 VanDerWaalsContact C-N 3.28Å; F485-Q487 PolarHBondContact O-N 2.94Å; F485-S488 PolarHBondContact O-N 2.98Å; F485-S488 PolarHBondContact O-OG 2.95Å; F485-D489 VanDerWaalsContact O-CB 3.24Å; F485-D489 WeakPolarHBondContact O-CB 3.36Å; F485-D489 PolarHBondContact O-N 3.02Å; F485-M502 VanDerWaalsContact CD1-O 3.32Å; F485-M502 WeakPolarHBondContact CD1-O 3.45Å; F485-R504 HydrophobicContact CB-CB 4.33Å; F485-R504 HydrophobicContact CD1-CB 3.75Å; F485-R504 HydrophobicContact CD2-CB 4.09Å; F485-R504 VanDerWaalsContact CE1-CA 3.46Å; F485-R504 HydrophobicContact CE1-CB 4.02Å; F485-R504 HydrophobicContact CE2-CB 4.33Å; F485-R504 HydrophobicContact CG-CB 3.78Å; F485-R504 HydrophobicContact CZ-CB 4.29Å; F485-V507 HydrophobicContact CE1-CB 4.2Å; F485-V507 HydrophobicContact CZ-CB 4.34Å
486	M	97.9	Very high	97.8	Very high	76 Å²	76	45.9 Å²	45.9	37%	0.374	25%	0.245	S	C	.	.	H	α-helix	trans	-59.3	-40.4	169.9	-75.8	-166.9	-57.1	0	0	112	P310 E482 E483 R490	P310-M486 VanDerWaalsContact CD-CE 3.46Å; P310-M486 HydrophobicContact CG-CE 3.5Å; P310-M486 VanDerWaalsContact CG-CE 3.5Å; E482-M486 WeakPolarHBondContact O-CG 3.47Å; E482-M486 PolarHBondContact O-N 3.47Å; E483-M486 HydrophobicContact CB-CE 4.39Å; E483-M486 HydrophobicContact CG-CE 4.22Å; E483-M486 PolarHBondContact O-N 3.47Å; M486-R490 WeakPolarHBondContact O-CB 3.39Å; M486-R490 PolarHBondContact O-N 3.43Å
487	Q	98.4	Very high	97.7	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.014	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-53.6	174.8	174.4	171.8	-31.3	0	0	111.7	Y359 N360 Y363 E483 Y484 F485 D489 R490 E491	Y359-Q487 HydrophobicContact CD1-CB 3.76Å; Y359-Q487 HydrophobicContact CD1-CG 3.96Å; Y359-Q487 HydrophobicContact CE1-CB 4.26Å; N360-Q487 VanDerWaalsContact CG-NE2 3.34Å; N360-Q487 PolarHBondContact OD1-NE2 2.74Å; N360-Q487 PolarHBondContact OD1-OE1 3.46Å; Y363-Q487 HydrophobicContact CD2-CG 4.39Å; E483-Q487 PolarHBondContact O-N 2.91Å; Y484-Q487 PolarHBondContact O-N 3.44Å; F485-Q487 VanDerWaalsContact C-N 3.28Å; F485-Q487 PolarHBondContact O-N 2.94Å; Q487-D489 VanDerWaalsContact C-N 3.35Å; Q487-D489 PolarHBondContact O-N 3.42Å; Q487-R490 WeakPolarHBondContact O-CB 3.48Å; Q487-R490 PolarHBondContact O-N 2.97Å; Q487-R490 VanDerWaalsContact O-N 3.11Å; Q487-E491 HydrophobicContact CG-CG 4.24Å; Q487-E491 PolarHBondContact NE2-OE1 3.39Å; Q487-E491 WeakPolarHBondContact O-CG 3.32Å; Q487-E491 PolarHBondContact O-N 3.5Å
488	S	97.7	Very high	97.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.1	-34.8	-174.2	63.3	0	0	0	0	112.9	Y484 F485 R490 E491 K492 M502	Y484-S488 PolarHBondContact O-N 3.35Å; Y484-S488 PolarHBondContact O-OG 3.37Å; F485-S488 PolarHBondContact O-N 2.98Å; F485-S488 PolarHBondContact O-OG 2.95Å; S488-R490 VanDerWaalsContact C-N 3.31Å; S488-R490 PolarHBondContact O-N 3.34Å; S488-E491 PolarHBondContact O-N 3.21Å; S488-K492 VanDerWaalsContact O-CG 3.3Å; S488-K492 WeakPolarHBondContact O-CG 3.18Å; S488-K492 PolarHBondContact O-N 3.08Å; S488-M502 WeakPolarHBondContact CB-O 3.31Å; S488-M502 PolarHBondContact OG-O 3.25Å
489	D	97.9	Very high	97.5	Very high	56 Å²	56	49.2 Å²	49.2	30%	0.299	27%	0.272	S	S	.	.	H	α-helix	trans	-64.5	-38.4	173.2	-76.7	-9.9	0	0	0	111	F485 Q487 S493 R504	F485-D489 VanDerWaalsContact O-CB 3.24Å; F485-D489 WeakPolarHBondContact O-CB 3.36Å; F485-D489 PolarHBondContact O-N 3.02Å; Q487-D489 VanDerWaalsContact C-N 3.35Å; Q487-D489 PolarHBondContact O-N 3.42Å; D489-S493 PolarHBondContact O-N 3.01Å; D489-R504 WeakPolarHBondContact OD1-CD 3.49Å; D489-R504 IonicContact OD2-CZ 2.75Å; D489-R504 IonicContact OD2-NH1 3.85Å; D489-R504 PolarHBondContact OD2-NH1 2.78Å
490	R	98.1	Very high	97.2	Very high	92 Å²	92	52.2 Å²	52.2	35%	0.347	29%	0.292	S	S	.	.	H	α-helix	trans	-67.7	-45.1	174.1	-173.7	171.5	-175.5	-177.4	-9.8	112.1	Y359 Y363 M486 Q487 S488 K492 S493 E494	Y359-R490 HydrophobicContact CE1-CB 4.2Å; Y359-R490 HydrophobicContact CE1-CG 4.49Å; Y359-R490 WeakPolarHBondContact OH-CD 3.43Å; Y359-R490 PolarHBondContact OH-NH1 3.33Å; Y363-R490 HydrophobicContact CE2-CG 4.26Å; Y363-R490 PolarHBondContact OH-NE 2.88Å; Y363-R490 PolarHBondContact OH-NH2 2.98Å; M486-R490 WeakPolarHBondContact O-CB 3.39Å; M486-R490 PolarHBondContact O-N 3.43Å; Q487-R490 WeakPolarHBondContact O-CB 3.48Å; Q487-R490 PolarHBondContact O-N 2.97Å; Q487-R490 VanDerWaalsContact O-N 3.11Å; S488-R490 VanDerWaalsContact C-N 3.31Å; S488-R490 PolarHBondContact O-N 3.34Å; R490-K492 VanDerWaalsContact C-N 3.32Å; R490-K492 PolarHBondContact O-N 3.38Å; R490-S493 WeakPolarHBondContact CA-OG 3.43Å; R490-S493 PolarHBondContact O-N 2.96Å; R490-S493 PolarHBondContact O-OG 3.35Å; R490-E494 HydrophobicContact CG-CG 4.32Å; R490-E494 IonicContact CZ-OE1 2.85Å; R490-E494 IonicContact NE-OE1 3.81Å; R490-E494 PolarHBondContact NE-OE1 3.47Å; R490-E494 IonicContact NE-OE2 3.57Å; R490-E494 IonicContact NH2-OE1 3.91Å; R490-E494 PolarHBondContact NH2-OE1 3.45Å; R490-E494 WeakPolarHBondContact O-CG 3.36Å; R490-E494 PolarHBondContact O-N 3.45Å
491	E	98.4	Very high	96.9	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.009	31%	0.31	C	S	.	.	H	α-helix	trans	-56.4	-45.5	174.8	-73.5	170.5	162.7	0	0	111.3	Y363 Q487 S488 S493 E494 G495 L496 V498	Y363-E491 HydrophobicContact CD2-CG 3.74Å; Y363-E491 HydrophobicContact CE2-CG 4.26Å; Q487-E491 HydrophobicContact CG-CG 4.24Å; Q487-E491 PolarHBondContact NE2-OE1 3.39Å; Q487-E491 WeakPolarHBondContact O-CG 3.32Å; Q487-E491 PolarHBondContact O-N 3.5Å; S488-E491 PolarHBondContact O-N 3.21Å; E491-S493 VanDerWaalsContact C-N 3.32Å; E491-S493 PolarHBondContact O-N 3.31Å; E491-E494 PolarHBondContact O-N 2.87Å; E491-G495 PolarHBondContact O-N 2.98Å; E491-L496 HydrophobicContact CB-CB 4.13Å; E491-L496 HydrophobicContact CG-CB 4.27Å; E491-L496 PolarHBondContact O-N 3Å; E491-V498 HydrophobicContact CB-CG2 3.81Å
492	K	97.6	Very high	96.6	Very high	81 Å²	81	56.1 Å²	56.1	35%	0.352	31%	0.307	S	S	.	.	H	α-helix	trans	-57.1	-45.4	173.5	-72.9	175	-175.9	173.1	0	111.4	S488 R490 E494 G495 V498 D503 D505	S488-K492 VanDerWaalsContact O-CG 3.3Å; S488-K492 WeakPolarHBondContact O-CG 3.18Å; S488-K492 PolarHBondContact O-N 3.08Å; R490-K492 VanDerWaalsContact C-N 3.32Å; R490-K492 PolarHBondContact O-N 3.38Å; K492-E494 VanDerWaalsContact C-N 3.34Å; K492-E494 PolarHBondContact O-N 2.88Å; K492-G495 PolarHBondContact O-N 2.74Å; K492-V498 HydrophobicContact CG-CG2 3.69Å; K492-D503 WeakPolarHBondContact CE-OD1 3.28Å; K492-D503 IonicContact NZ-OD1 2.7Å; K492-D503 PolarHBondContact NZ-OD1 3.15Å; K492-D505 IonicContact NZ-OD2 2.74Å; K492-D505 PolarHBondContact NZ-OD2 2.64Å
493	S	98.2	Very high	96.2	Very high	93 Å²	93	51.2 Å²	51.2	65%	0.65	29%	0.285	S	S	*	.	H	α-helix	trans	-68.1	-31.6	-178.3	78.9	0	0	0	0	113.7	D489 R490 E491	D489-S493 PolarHBondContact O-N 3.01Å; R490-S493 WeakPolarHBondContact CA-OG 3.43Å; R490-S493 PolarHBondContact O-N 2.96Å; R490-S493 PolarHBondContact O-OG 3.35Å; E491-S493 VanDerWaalsContact C-N 3.32Å; E491-S493 PolarHBondContact O-N 3.31Å
494	E	97.9	Very high	95.9	Very high	85 Å²	85	57.7 Å²	57.7	40%	0.397	31%	0.309	S	S	.	.	H	α-helix	trans	-92.2	-2.1	-178.8	-68.1	175.8	175.4	0	0	112.2	Y363 R490 E491 K492 L496	Y363-E494 WeakPolarHBondContact CE2-OE2 3.26Å; Y363-E494 PolarHBondContact OH-OE1 3.33Å; Y363-E494 PolarHBondContact OH-OE2 3.46Å; R490-E494 HydrophobicContact CG-CG 4.32Å; R490-E494 IonicContact CZ-OE1 2.85Å; R490-E494 IonicContact NE-OE1 3.81Å; R490-E494 PolarHBondContact NE-OE1 3.47Å; R490-E494 IonicContact NE-OE2 3.57Å; R490-E494 IonicContact NH2-OE1 3.91Å; R490-E494 PolarHBondContact NH2-OE1 3.45Å; R490-E494 WeakPolarHBondContact O-CG 3.36Å; R490-E494 PolarHBondContact O-N 3.45Å; E491-E494 PolarHBondContact O-N 2.87Å; K492-E494 VanDerWaalsContact C-N 3.34Å; K492-E494 PolarHBondContact O-N 2.88Å; E494-L496 VanDerWaalsContact C-N 3.31Å; E494-L496 HydrophobicContact CB-CD1 4.12Å; E494-L496 HydrophobicContact CB-CG 4.03Å
495	G	97.9	Very high	95.4	Very high	70 Å²	70	60.7 Å²	60.7	72%	0.722	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	25.1	-177.9	0	0	0	0	0	113.7	E491 K492	E491-G495 PolarHBondContact O-N 2.98Å; K492-G495 PolarHBondContact O-N 2.74Å
496	L	98	Very high	94.9	Very high	36 Å²	36	64.9 Å²	64.9	19%	0.188	35%	0.347	C	S	.	.			trans	-89.3	158.8	178.6	-61.8	176.4	0	0	0	111.5	Y363 N366 A367 E491 E494 V498	Y363-L496 HydrophobicContact CD2-CD1 4.27Å; Y363-L496 HydrophobicContact CE2-CD1 3.89Å; N366-L496 HydrophobicContact CB-CD2 4.39Å; A367-L496 HydrophobicContact CB-CD1 3.74Å; E491-L496 HydrophobicContact CB-CB 4.13Å; E491-L496 HydrophobicContact CG-CB 4.27Å; E491-L496 PolarHBondContact O-N 3Å; E494-L496 VanDerWaalsContact C-N 3.31Å; E494-L496 HydrophobicContact CB-CD1 4.12Å; E494-L496 HydrophobicContact CB-CG 4.03Å; L496-V498 PolarHBondContact O-N 3.44Å
497	P	97.5	Very high	94.6	Very high	84 Å²	84	62.1 Å²	62.1	55%	0.545	34%	0.335	S	S	.	.			trans	-61	135	174.4	-21.3	33.3	0	0	0	111.9
498	V	96.6	Very high	94.2	Very high	46 Å²	46	63.4 Å²	63.4	28%	0.279	34%	0.342	S	S	.	.			trans	-108.9	127.3	179	-179.2	0	0	0	0	110	E491 K492 L496 D503	E491-V498 HydrophobicContact CB-CG2 3.81Å; K492-V498 HydrophobicContact CG-CG2 3.69Å; L496-V498 PolarHBondContact O-N 3.44Å; V498-D503 HydrophobicContact CG1-CB 4.23Å
499	A	92.2	Very high	93.9	Very high	22 Å²	22	66.1 Å²	66.1	18%	0.182	35%	0.354	C	S	.	.			trans	-73.4	130.8	175.9	0	0	0	0	0	111.3	F501 M502 D503	A499-F501 HydrophobicContact CB-CD1 3.93Å; A499-F501 HydrophobicContact CB-CE1 3.55Å; A499-F501 HydrophobicContact CB-CZ 3.92Å; A499-F501 PolarHBondContact O-N 3.43Å; A499-F501 VanDerWaalsContact O-N 3.12Å; A499-M502 HydrophobicContact CB-CB 4.48Å; A499-M502 HydrophobicContact CB-CG 4.13Å; A499-M502 HydrophobicContact CB-SD 4.13Å; A499-M502 PolarHBondContact O-N 2.95Å; A499-D503 PolarHBondContact O-N 3.1Å
500	P	92.3	Very high	93.7	Very high	89 Å²	89	63.4 Å²	63.4	58%	0.578	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-57.8	-30.6	-177.9	-27.8	35.1	0	0	0	115.1	M502 D503 V507	P500-M502 VanDerWaalsContact C-N 3.26Å; P500-M502 PolarHBondContact O-N 3.07Å; P500-D503 PolarHBondContact O-N 3.3Å; P500-V507 WeakPolarHBondContact O-CG2 3.48Å
501	F	89.3	Confident	93.4	Very high	121 Å²	121	61.9 Å²	61.9	53%	0.531	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-80.6	-2.8	179.2	69.6	-95	0	0	0	114	Y484 A499 V507	Y484-F501 HydrophobicContact CE2-CD2 4.2Å; Y484-F501 HydrophobicContact CE2-CE2 4.17Å; A499-F501 HydrophobicContact CB-CD1 3.93Å; A499-F501 HydrophobicContact CB-CE1 3.55Å; A499-F501 HydrophobicContact CB-CZ 3.92Å; A499-F501 PolarHBondContact O-N 3.43Å; A499-F501 VanDerWaalsContact O-N 3.12Å; F501-V507 WeakPolarHBondContact O-CG2 3.22Å
502	M	91.3	Very high	93.1	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-113.5	-1.9	173.8	-54	179.4	106.4	0	0	111.5	N360 Y484 F485 S488 A499 P500 R504	N360-M502 WeakPolarHBondContact ND2-CE 3.47Å; Y484-M502 HydrophobicContact CD1-CE 3.22Å; Y484-M502 HydrophobicContact CD2-CB 4.4Å; Y484-M502 HydrophobicContact CD2-CE 3.86Å; Y484-M502 HydrophobicContact CD2-CG 3.82Å; Y484-M502 HydrophobicContact CE1-CE 3.36Å; Y484-M502 HydrophobicContact CE2-CE 4Å; Y484-M502 HydrophobicContact CE2-CG 4.28Å; Y484-M502 HydrophobicContact CG-CB 4.45Å; Y484-M502 HydrophobicContact CG-CE 3.47Å; Y484-M502 VanDerWaalsContact CG-CE 3.47Å; Y484-M502 HydrophobicContact CG-CG 4.07Å; F485-M502 VanDerWaalsContact CD1-O 3.32Å; F485-M502 WeakPolarHBondContact CD1-O 3.45Å; S488-M502 WeakPolarHBondContact CB-O 3.31Å; S488-M502 PolarHBondContact OG-O 3.25Å; A499-M502 HydrophobicContact CB-CB 4.48Å; A499-M502 HydrophobicContact CB-CG 4.13Å; A499-M502 HydrophobicContact CB-SD 4.13Å; A499-M502 PolarHBondContact O-N 2.95Å; P500-M502 VanDerWaalsContact C-N 3.26Å; P500-M502 PolarHBondContact O-N 3.07Å; M502-R504 PolarHBondContact O-N 3.3Å
503	D	90	Very high	93	Very high	9 Å²	9	60 Å²	60	5%	0.048	34%	0.338	C	S	.	.			trans	-81.2	115.1	-174.7	-171.6	-8.7	0	0	0	110.8	K492 V498 A499 P500 D505 K506 V507	K492-D503 WeakPolarHBondContact CE-OD1 3.28Å; K492-D503 IonicContact NZ-OD1 2.7Å; K492-D503 PolarHBondContact NZ-OD1 3.15Å; V498-D503 HydrophobicContact CG1-CB 4.23Å; A499-D503 PolarHBondContact O-N 3.1Å; P500-D503 PolarHBondContact O-N 3.3Å; D503-D505 PolarHBondContact O-N 3.01Å; D503-D505 PolarHBondContact OD1-N 2.77Å; D503-K506 HydrophobicContact CB-CB 4.25Å; D503-K506 HydrophobicContact CB-CD 4.17Å; D503-K506 HydrophobicContact CB-CG 4.28Å; D503-K506 PolarHBondContact O-N 2.9Å; D503-K506 WeakPolarHBondContact OD2-CE 3.18Å; D503-K506 IonicContact OD2-NZ 3.46Å; D503-K506 PolarHBondContact OD2-NZ 3.46Å; D503-V507 WeakPolarHBondContact O-CG2 3.42Å; D503-V507 PolarHBondContact O-N 2.92Å
504	R	90.6	Very high	92.9	Very high	140 Å²	140	56.5 Å²	56.5	53%	0.528	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-27	179.4	69.6	-179.4	-66.6	178.7	0.7	114.4	F485 D489 M502 K506	F485-R504 HydrophobicContact CB-CB 4.33Å; F485-R504 HydrophobicContact CD1-CB 3.75Å; F485-R504 HydrophobicContact CD2-CB 4.09Å; F485-R504 VanDerWaalsContact CE1-CA 3.46Å; F485-R504 HydrophobicContact CE1-CB 4.02Å; F485-R504 HydrophobicContact CE2-CB 4.33Å; F485-R504 HydrophobicContact CG-CB 3.78Å; F485-R504 HydrophobicContact CZ-CB 4.29Å; D489-R504 WeakPolarHBondContact OD1-CD 3.49Å; D489-R504 IonicContact OD2-CZ 2.75Å; D489-R504 IonicContact OD2-NH1 3.85Å; D489-R504 PolarHBondContact OD2-NH1 2.78Å; M502-R504 PolarHBondContact O-N 3.3Å; R504-K506 VanDerWaalsContact C-N 3.3Å
505	D	87.7	Confident	92.6	Very high	121 Å²	121	53.8 Å²	53.8	65%	0.647	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-15	-177.9	-58.4	-44	0	0	0	112.1	K492 D503	K492-D505 IonicContact NZ-OD2 2.74Å; K492-D505 PolarHBondContact NZ-OD2 2.64Å; D503-D505 PolarHBondContact O-N 3.01Å; D503-D505 PolarHBondContact OD1-N 2.77Å
506	K	88.2	Confident	92.6	Very high	135 Å²	135	53.5 Å²	53.5	59%	0.587	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	-23.9	-172.1	-62.2	180	-176.6	127.1	0	113.6	D503 R504	D503-K506 HydrophobicContact CB-CB 4.25Å; D503-K506 HydrophobicContact CB-CD 4.17Å; D503-K506 HydrophobicContact CB-CG 4.28Å; D503-K506 PolarHBondContact O-N 2.9Å; D503-K506 WeakPolarHBondContact OD2-CE 3.18Å; D503-K506 IonicContact OD2-NZ 3.46Å; D503-K506 PolarHBondContact OD2-NZ 3.46Å; R504-K506 VanDerWaalsContact C-N 3.3Å
507	V	91.7	Very high	92.6	Very high	19 Å²	19	51.8 Å²	51.8	12%	0.115	28%	0.277	C	S	.	.			trans	-102.5	130.6	-169.2	-179.4	0	0	0	0	111.6	L481 F485 P500 F501 D503 A512	L481-V507 HydrophobicContact CD2-CG1 3.77Å; F485-V507 HydrophobicContact CE1-CB 4.2Å; F485-V507 HydrophobicContact CZ-CB 4.34Å; P500-V507 WeakPolarHBondContact O-CG2 3.48Å; F501-V507 WeakPolarHBondContact O-CG2 3.22Å; D503-V507 WeakPolarHBondContact O-CG2 3.42Å; D503-V507 PolarHBondContact O-N 2.92Å; V507-A512 HydrophobicContact CG1-CB 3.92Å
508	T	89.9	Confident	92.6	Very high	29 Å²	29	51.3 Å²	51.3	18%	0.178	27%	0.266	C	S	.	.			trans	-109.6	159.9	161.6	76.6	0	0	0	0	110	A510 T511 A512	T508-A510 VanDerWaalsContact C-N 3.27Å; T508-A510 PolarHBondContact O-N 3.4Å; T508-T511 PolarHBondContact N-OG1 3.49Å; T508-T511 PolarHBondContact O-N 3.32Å; T508-T511 VanDerWaalsContact O-N 3.1Å; T508-T511 PolarHBondContact O-OG1 2.99Å; T508-T511 PolarHBondContact OG1-N 3.42Å; T508-T511 PolarHBondContact OG1-OG1 3.29Å; T508-A512 PolarHBondContact O-N 3.38Å
509	K	90.9	Very high	92.6	Very high	57 Å²	57	56.2 Å²	56.2	25%	0.248	28%	0.284	C	S	.	.	H	α-helix	trans	-45.8	-52.1	172.4	-67.6	-174.2	176.7	-167.5	0	112.1	V477 D478 L481 T511 A512 Q513	V477-K509 HydrophobicContact CG1-CB 4.1Å; V477-K509 HydrophobicContact CG1-CG 4.04Å; D478-K509 VanDerWaalsContact CG-CE 3.44Å; D478-K509 WeakPolarHBondContact OD1-CE 3.15Å; D478-K509 IonicContact OD1-NZ 2.78Å; D478-K509 PolarHBondContact OD1-NZ 2.96Å; D478-K509 IonicContact OD2-NZ 3.56Å; D478-K509 PolarHBondContact OD2-NZ 3.44Å; L481-K509 HydrophobicContact CD1-CB 4.48Å; L481-K509 HydrophobicContact CD1-CG 3.83Å; K509-T511 PolarHBondContact O-N 2.87Å; K509-A512 PolarHBondContact O-N 2.9Å; K509-Q513 WeakPolarHBondContact O-CG 3.28Å; K509-Q513 PolarHBondContact O-N 2.85Å; K509-Q513 VanDerWaalsContact O-N 3.11Å
510	A	92.9	Very high	92.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60	-46.8	-178.8	0	0	0	0	0	111.9	T508 A512 Q513 I514 Y550 L553 K554	T508-A510 VanDerWaalsContact C-N 3.27Å; T508-A510 PolarHBondContact O-N 3.4Å; A510-A512 VanDerWaalsContact C-N 3.32Å; A510-A512 PolarHBondContact O-N 3.25Å; A510-Q513 PolarHBondContact O-N 3.43Å; A510-I514 HydrophobicContact CB-CD1 4.37Å; A510-I514 VanDerWaalsContact O-CD1 3.31Å; A510-I514 WeakPolarHBondContact O-CD1 3.47Å; A510-I514 WeakPolarHBondContact O-CG1 3.36Å; A510-I514 PolarHBondContact O-N 3.25Å; A510-Y550 HydrophobicContact CB-CD1 4.37Å; A510-L553 HydrophobicContact CB-CB 4.3Å; A510-L553 HydrophobicContact CB-CD2 4.22Å; A510-L553 HydrophobicContact CB-CG 4.2Å; A510-K554 HydrophobicContact CB-CB 3.94Å
511	T	91.8	Very high	93.1	Very high	60 Å²	60	52.2 Å²	52.2	37%	0.368	26%	0.255	S	S	.	.	H	α-helix	trans	-66	-33.5	-179.4	55.7	0	0	0	0	113.5	T508 K509 K554	T508-T511 PolarHBondContact N-OG1 3.49Å; T508-T511 PolarHBondContact O-N 3.32Å; T508-T511 VanDerWaalsContact O-N 3.1Å; T508-T511 PolarHBondContact O-OG1 2.99Å; T508-T511 PolarHBondContact OG1-N 3.42Å; T508-T511 PolarHBondContact OG1-OG1 3.29Å; K509-T511 PolarHBondContact O-N 2.87Å; T511-K554 HydrophobicContact CG2-CD 4.41Å
512	A	91.8	Very high	93.6	Very high	29 Å²	29	47 Å²	47	24%	0.24	23%	0.233	C	C	.	.	H	α-helix	trans	-64.9	-47.4	175.3	0	0	0	0	0	111.1	L481 V507 T508 K509 A510	L481-A512 HydrophobicContact CD2-CB 4.19Å; V507-A512 HydrophobicContact CG1-CB 3.92Å; T508-A512 PolarHBondContact O-N 3.38Å; K509-A512 PolarHBondContact O-N 2.9Å; A510-A512 VanDerWaalsContact C-N 3.32Å; A510-A512 PolarHBondContact O-N 3.25Å
513	Q	96.4	Very high	93.9	Very high	13 Å²	13	48.6 Å²	48.6	6%	0.061	24%	0.243	C	C	.	.	H	α-helix	trans	-79.9	-37.9	-172.1	-58.9	-50.9	94.8	0	0	113.7	E466 V477 K509 A510 G515 F516 I517 Y550	E466-Q513 PolarHBondContact OE1-NE2 2.96Å; V477-Q513 HydrophobicContact CG1-CG 3.89Å; V477-Q513 HydrophobicContact CG2-CG 3.85Å; K509-Q513 WeakPolarHBondContact O-CG 3.28Å; K509-Q513 PolarHBondContact O-N 2.85Å; K509-Q513 VanDerWaalsContact O-N 3.11Å; A510-Q513 PolarHBondContact O-N 3.43Å; Q513-G515 PolarHBondContact O-N 2.79Å; Q513-F516 PolarHBondContact O-N 2.95Å; Q513-I517 HydrophobicContact CB-CD1 3.97Å; Q513-I517 WeakPolarHBondContact O-CB 3.33Å; Q513-I517 WeakPolarHBondContact O-CD1 3.45Å; Q513-I517 VanDerWaalsContact O-CG1 3.24Å; Q513-I517 WeakPolarHBondContact O-CG1 3.15Å; Q513-I517 PolarHBondContact O-N 3.49Å; Q513-Y550 HydrophobicContact CB-CD1 4.3Å; Q513-Y550 HydrophobicContact CB-CD2 3.57Å; Q513-Y550 HydrophobicContact CB-CE1 4.28Å; Q513-Y550 HydrophobicContact CB-CE2 3.52Å; Q513-Y550 HydrophobicContact CB-CG 3.98Å; Q513-Y550 HydrophobicContact CG-CD2 4.27Å; Q513-Y550 HydrophobicContact CG-CE1 4.08Å; Q513-Y550 HydrophobicContact CG-CE2 3.74Å
514	I	95.8	Very high	94.4	Very high	21 Å²	21	48.2 Å²	48.2	11%	0.108	24%	0.241	C	C	.	.	H	α-helix	trans	-57.1	-50.6	-175.5	-69.2	160.8	0	0	0	111.6	A510 K518 E551 K554	A510-I514 HydrophobicContact CB-CD1 4.37Å; A510-I514 VanDerWaalsContact O-CD1 3.31Å; A510-I514 WeakPolarHBondContact O-CD1 3.47Å; A510-I514 WeakPolarHBondContact O-CG1 3.36Å; A510-I514 PolarHBondContact O-N 3.25Å; I514-K518 HydrophobicContact CG2-CD 3.64Å; I514-K518 VanDerWaalsContact O-CB 3.29Å; I514-K518 WeakPolarHBondContact O-CB 3.4Å; I514-K518 WeakPolarHBondContact O-CG 3.4Å; I514-K518 PolarHBondContact O-N 3.35Å; I514-E551 HydrophobicContact CD1-CG 4.1Å; I514-E551 HydrophobicContact CG1-CG 4.07Å; I514-E551 HydrophobicContact CG2-CG 4.12Å; I514-K554 HydrophobicContact CD1-CB 3.83Å; I514-K554 HydrophobicContact CD1-CD 3.77Å; I514-K554 HydrophobicContact CD1-CG 4.37Å
515	G	92.6	Very high	94.7	Very high	27 Å²	27	41.5 Å²	41.5	28%	0.278	22%	0.216	S	C	.	.	H	α-helix	trans	-64.9	-44.3	-179.1	0	0	0	0	0	111.5	Q513 K518 F519	Q513-G515 PolarHBondContact O-N 2.79Å; G515-K518 PolarHBondContact O-N 2.93Å; G515-F519 WeakPolarHBondContact O-CB 3.18Å; G515-F519 WeakPolarHBondContact O-CD2 3.4Å; G515-F519 PolarHBondContact O-N 3.39Å
516	F	97.1	Very high	95.3	Very high	65 Å²	65	40 Å²	40	29%	0.285	21%	0.205	S	C	.	.	H	α-helix	trans	-62.7	-47.7	179.8	-170	-111.3	0	0	0	112.3	M425 I463 Q513 V520 L521	M425-F516 HydrophobicContact CE-CE2 4.44Å; I463-F516 HydrophobicContact CB-CE1 4.11Å; I463-F516 HydrophobicContact CB-CZ 3.78Å; I463-F516 HydrophobicContact CD1-CE1 4.38Å; I463-F516 HydrophobicContact CD1-CE2 4.39Å; I463-F516 HydrophobicContact CD1-CZ 3.68Å; I463-F516 HydrophobicContact CG1-CZ 4.29Å; I463-F516 HydrophobicContact CG2-CZ 3.91Å; Q513-F516 PolarHBondContact O-N 2.95Å; F516-V520 HydrophobicContact CD2-CB 3.97Å; F516-V520 HydrophobicContact CD2-CG1 4.33Å; F516-V520 HydrophobicContact CD2-CG2 3.82Å; F516-V520 HydrophobicContact CE2-CB 4.01Å; F516-V520 HydrophobicContact CE2-CG1 3.86Å; F516-V520 HydrophobicContact CE2-CG2 4.12Å; F516-V520 HydrophobicContact CZ-CG1 4.3Å; F516-V520 WeakPolarHBondContact O-CA 3.44Å; F516-V520 WeakPolarHBondContact O-CB 3.46Å; F516-V520 PolarHBondContact O-N 3.16Å; F516-L521 HydrophobicContact CD1-CD1 3.82Å; F516-L521 HydrophobicContact CD1-CG 3.97Å; F516-L521 HydrophobicContact CE1-CD1 3.82Å; F516-L521 HydrophobicContact CE1-CD2 3.89Å; F516-L521 HydrophobicContact CE1-CG 3.79Å; F516-L521 HydrophobicContact CZ-CD2 4.35Å; F516-L521 PolarHBondContact O-N 2.97Å
517	I	98.3	Very high	95.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-62.9	-47.9	178.4	-65	162.2	0	0	0	110.7	E466 Q513 L521 I522 L543 S546 R547 Y550	E466-I517 HydrophobicContact CB-CD1 4.37Å; E466-I517 HydrophobicContact CB-CG1 4.28Å; E466-I517 HydrophobicContact CG-CD1 4.05Å; E466-I517 HydrophobicContact CG-CG1 4.11Å; Q513-I517 HydrophobicContact CB-CD1 3.97Å; Q513-I517 WeakPolarHBondContact O-CB 3.33Å; Q513-I517 WeakPolarHBondContact O-CD1 3.45Å; Q513-I517 VanDerWaalsContact O-CG1 3.24Å; Q513-I517 WeakPolarHBondContact O-CG1 3.15Å; Q513-I517 PolarHBondContact O-N 3.49Å; I517-L521 HydrophobicContact CG1-CD1 3.99Å; I517-L521 PolarHBondContact O-N 3.29Å; I517-I522 HydrophobicContact CG2-CD1 3.76Å; I517-I522 HydrophobicContact CG2-CG1 4.04Å; I517-I522 WeakPolarHBondContact O-CB 3.41Å; I517-I522 WeakPolarHBondContact O-CG1 3.49Å; I517-I522 PolarHBondContact O-N 3.42Å; I517-L543 HydrophobicContact CG2-CB 4.35Å; I517-L543 HydrophobicContact CG2-CD2 4.4Å; I517-L543 WeakPolarHBondContact CG2-O 3.38Å; I517-S546 WeakPolarHBondContact CD1-OG 3.45Å; I517-R547 HydrophobicContact CG2-CB 3.93Å; I517-Y550 HydrophobicContact CD1-CD2 3.73Å; I517-Y550 HydrophobicContact CD1-CE2 3.96Å
518	K	97.6	Very high	96.1	Very high	74 Å²	74	33 Å²	33	32%	0.322	17%	0.174	S	C	.	.	I	π-helix	trans	-69.9	-38.7	-174.4	-71.6	174.6	76.3	160	0	113.9	I514 G515 P523 R547 E551	I514-K518 HydrophobicContact CG2-CD 3.64Å; I514-K518 VanDerWaalsContact O-CB 3.29Å; I514-K518 WeakPolarHBondContact O-CB 3.4Å; I514-K518 WeakPolarHBondContact O-CG 3.4Å; I514-K518 PolarHBondContact O-N 3.35Å; G515-K518 PolarHBondContact O-N 2.93Å; K518-P523 WeakPolarHBondContact O-CD 3.42Å; K518-R547 HydrophobicContact CD-CG 4.02Å; K518-R547 HydrophobicContact CG-CG 3.74Å; K518-E551 WeakPolarHBondContact CD-OE1 3.35Å; K518-E551 IonicContact NZ-OE1 3.96Å; K518-E551 PolarHBondContact NZ-OE1 2.93Å
519	F	95.8	Very high	96.5	Very high	149 Å²	149	32.3 Å²	32.3	65%	0.654	17%	0.169	S	C	*	.	I	π-helix	trans	-110.4	-11.9	-168	-53.7	-58.8	0	0	0	113.6	G515	G515-F519 WeakPolarHBondContact O-CB 3.18Å; G515-F519 WeakPolarHBondContact O-CD2 3.4Å; G515-F519 PolarHBondContact O-N 3.39Å
520	V	98.1	Very high	96.8	Very high	26 Å²	26	36.4 Å²	36.4	16%	0.158	19%	0.187	C	C	.	.	I	π-helix	trans	-117.6	-61.2	177.8	-173.5	0	0	0	0	110.8	M425 I463 F516 M524	M425-V520 HydrophobicContact CE-CG1 3.79Å; I463-V520 HydrophobicContact CD1-CG1 3.72Å; F516-V520 HydrophobicContact CD2-CB 3.97Å; F516-V520 HydrophobicContact CD2-CG1 4.33Å; F516-V520 HydrophobicContact CD2-CG2 3.82Å; F516-V520 HydrophobicContact CE2-CB 4.01Å; F516-V520 HydrophobicContact CE2-CG1 3.86Å; F516-V520 HydrophobicContact CE2-CG2 4.12Å; F516-V520 HydrophobicContact CZ-CG1 4.3Å; F516-V520 WeakPolarHBondContact O-CA 3.44Å; F516-V520 WeakPolarHBondContact O-CB 3.46Å; F516-V520 PolarHBondContact O-N 3.16Å; V520-M524 VanDerWaalsContact O-CB 3.31Å; V520-M524 WeakPolarHBondContact O-CB 3.4Å; V520-M524 PolarHBondContact O-N 3.4Å
521	L	98.5	Very high	97.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-68.7	-57.9	-172	-62.9	176.4	0	0	0	112.5	I463 E466 F516 I517 M524 F525 L543	I463-L521 HydrophobicContact CB-CD2 4.03Å; I463-L521 HydrophobicContact CD1-CD2 3.49Å; I463-L521 VanDerWaalsContact CD1-CD2 3.49Å; I463-L521 HydrophobicContact CG1-CD2 3.55Å; I463-L521 WeakPolarHBondContact O-CD2 3.4Å; E466-L521 HydrophobicContact CB-CD1 3.93Å; E466-L521 HydrophobicContact CG-CD1 4.35Å; F516-L521 HydrophobicContact CD1-CD1 3.82Å; F516-L521 HydrophobicContact CD1-CG 3.97Å; F516-L521 HydrophobicContact CE1-CD1 3.82Å; F516-L521 HydrophobicContact CE1-CD2 3.89Å; F516-L521 HydrophobicContact CE1-CG 3.79Å; F516-L521 HydrophobicContact CZ-CD2 4.35Å; F516-L521 PolarHBondContact O-N 2.97Å; I517-L521 HydrophobicContact CG1-CD1 3.99Å; I517-L521 PolarHBondContact O-N 3.29Å; L521-M524 HydrophobicContact CD2-CE 4.35Å; L521-M524 PolarHBondContact O-N 3.23Å; L521-M524 VanDerWaalsContact O-N 3.15Å; L521-F525 HydrophobicContact CD2-CE2 4.35Å; L521-F525 WeakPolarHBondContact O-CD2 3.47Å; L521-F525 PolarHBondContact O-N 2.95Å; L521-L543 HydrophobicContact CB-CD1 4.1Å; L521-L543 HydrophobicContact CB-CD2 4.09Å; L521-L543 HydrophobicContact CD1-CD2 3.74Å
522	I	98.6	Very high	97.4	Very high	11 Å²	11	35.5 Å²	35.5	6%	0.056	18%	0.179	C	C	.	.	H	α-helix	trans	-55.3	-51.6	-176.2	-71.8	167.9	0	0	0	111.2	I517 M524 F525 E526 L540 L543	I517-I522 HydrophobicContact CG2-CD1 3.76Å; I517-I522 HydrophobicContact CG2-CG1 4.04Å; I517-I522 WeakPolarHBondContact O-CB 3.41Å; I517-I522 WeakPolarHBondContact O-CG1 3.49Å; I517-I522 PolarHBondContact O-N 3.42Å; I522-M524 VanDerWaalsContact C-N 3.29Å; I522-M524 PolarHBondContact O-N 3.29Å; I522-F525 PolarHBondContact O-N 3.04Å; I522-E526 HydrophobicContact CG2-CG 4.05Å; I522-E526 WeakPolarHBondContact CG2-OE1 3.42Å; I522-E526 WeakPolarHBondContact O-CB 3.17Å; I522-E526 VanDerWaalsContact O-CG 3.25Å; I522-E526 WeakPolarHBondContact O-CG 3.43Å; I522-E526 PolarHBondContact O-N 3.49Å; I522-L540 HydrophobicContact CG2-CD2 4.35Å; I522-L543 HydrophobicContact CG1-CB 4.07Å
523	P	98.6	Very high	97.7	Very high	35 Å²	35	38.6 Å²	38.6	23%	0.227	20%	0.197	C	C	.	.	H	α-helix	trans	-61.8	-34	-179.7	-25	35.8	0	0	0	114.1	K518 T527	K518-P523 WeakPolarHBondContact O-CD 3.42Å; P523-T527 PolarHBondContact O-N 3.02Å; P523-T527 PolarHBondContact O-OG1 3.34Å
524	M	98.8	Very high	97.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-68.1	-51.3	176.8	-176.3	173.7	63.5	0	0	110.9	M432 I456 K459 C460 I463 V520 L521 I522 E526 T527 V528	M432-M524 HydrophobicContact CE-CB 4.21Å; M432-M524 HydrophobicContact CE-CG 4.43Å; M432-M524 HydrophobicContact SD-CB 3.97Å; M432-M524 HydrophobicContact SD-CG 3.71Å; M432-M524 HydrophobicContact SD-SD 4.41Å; I456-M524 HydrophobicContact CG2-CG 4.42Å; K459-M524 HydrophobicContact CB-SD 4.1Å; C460-M524 HydrophobicContact CB-CE 4.35Å; I463-M524 HydrophobicContact CD1-CE 3.64Å; I463-M524 HydrophobicContact CG1-CE 3.8Å; V520-M524 VanDerWaalsContact O-CB 3.31Å; V520-M524 WeakPolarHBondContact O-CB 3.4Å; V520-M524 PolarHBondContact O-N 3.4Å; L521-M524 HydrophobicContact CD2-CE 4.35Å; L521-M524 PolarHBondContact O-N 3.23Å; L521-M524 VanDerWaalsContact O-N 3.15Å; I522-M524 VanDerWaalsContact C-N 3.29Å; I522-M524 PolarHBondContact O-N 3.29Å; M524-E526 PolarHBondContact O-N 3.23Å; M524-T527 PolarHBondContact O-N 2.88Å; M524-T527 VanDerWaalsContact O-N 3.15Å; M524-V528 PolarHBondContact O-N 3.15Å; M524-V528 VanDerWaalsContact O-N 3.17Å
525	F	98.8	Very high	97.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.3	-35.2	178.8	-81.4	-83.7	0	0	0	112.6	C460 V467 L521 I522 T527 V528 T529 V535 M539 L540 L543	C460-F525 HydrophobicContact CB-CE1 4.02Å; C460-F525 HydrophobicContact CB-CE2 4.37Å; C460-F525 HydrophobicContact CB-CZ 3.73Å; V467-F525 HydrophobicContact CG2-CE1 4.32Å; V467-F525 HydrophobicContact CG2-CE2 3.99Å; V467-F525 HydrophobicContact CG2-CZ 3.81Å; L521-F525 HydrophobicContact CD2-CE2 4.35Å; L521-F525 WeakPolarHBondContact O-CD2 3.47Å; L521-F525 PolarHBondContact O-N 2.95Å; I522-F525 PolarHBondContact O-N 3.04Å; F525-T527 VanDerWaalsContact C-N 3.27Å; F525-T527 PolarHBondContact O-N 2.91Å; F525-V528 PolarHBondContact O-N 2.93Å; F525-T529 PolarHBondContact O-N 3.38Å; F525-T529 PolarHBondContact O-OG1 3.04Å; F525-V535 HydrophobicContact CD1-CG1 3.88Å; F525-M539 HydrophobicContact CD1-CB 4.07Å; F525-M539 HydrophobicContact CD1-SD 4.3Å; F525-M539 HydrophobicContact CE1-CB 4.17Å; F525-M539 HydrophobicContact CE1-CE 3.56Å; F525-M539 HydrophobicContact CE1-SD 3.8Å; F525-M539 HydrophobicContact CZ-CE 4.1Å; F525-L540 HydrophobicContact CB-CD2 3.57Å; F525-L540 HydrophobicContact CB-CG 3.99Å; F525-L543 HydrophobicContact CB-CD1 4.3Å; F525-L543 HydrophobicContact CD2-CD1 3.74Å; F525-L543 HydrophobicContact CE2-CD1 4.34Å; F525-L543 HydrophobicContact CG-CD1 4.09Å
526	E	98.7	Very high	98.2	Very high	90 Å²	90	43.5 Å²	43.5	42%	0.421	22%	0.216	S	C	.	.	H	α-helix	trans	-58.6	-37.9	171.4	-78.2	175.3	166.7	0	0	112.5	I522 M524 T529 L540	I522-E526 HydrophobicContact CG2-CG 4.05Å; I522-E526 WeakPolarHBondContact CG2-OE1 3.42Å; I522-E526 WeakPolarHBondContact O-CB 3.17Å; I522-E526 VanDerWaalsContact O-CG 3.25Å; I522-E526 WeakPolarHBondContact O-CG 3.43Å; I522-E526 PolarHBondContact O-N 3.49Å; M524-E526 PolarHBondContact O-N 3.23Å; E526-T529 PolarHBondContact O-N 2.95Å; E526-L540 HydrophobicContact CG-CD1 3.97Å; E526-L540 HydrophobicContact CG-CD2 4.08Å
527	T	98.2	Very high	98.2	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-69.9	-39	177.6	-51.9	0	0	0	0	110.8	F435 K436 M439 P523 M524 F525 K530	F435-T527 HydrophobicContact CD1-CG2 3.64Å; F435-T527 HydrophobicContact CE1-CG2 3.65Å; K436-T527 HydrophobicContact CG-CG2 4.09Å; M439-T527 HydrophobicContact CG-CG2 3.91Å; P523-T527 PolarHBondContact O-N 3.02Å; P523-T527 PolarHBondContact O-OG1 3.34Å; M524-T527 PolarHBondContact O-N 2.88Å; M524-T527 VanDerWaalsContact O-N 3.15Å; F525-T527 VanDerWaalsContact C-N 3.27Å; F525-T527 PolarHBondContact O-N 2.91Å; T527-K530 WeakPolarHBondContact O-CB 3.29Å; T527-K530 PolarHBondContact O-N 2.98Å
528	V	98.5	Very high	98.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.4	-38.6	175.1	176.9	0	0	0	0	112	M327 I456 M524 F525 K530 L531 F532 V535	M327-V528 HydrophobicContact CE-CG1 4.32Å; I456-V528 HydrophobicContact CG2-CG2 3.44Å; I456-V528 VanDerWaalsContact CG2-CG2 3.44Å; M524-V528 PolarHBondContact O-N 3.15Å; M524-V528 VanDerWaalsContact O-N 3.17Å; F525-V528 PolarHBondContact O-N 2.93Å; V528-K530 PolarHBondContact O-N 3.17Å; V528-K530 VanDerWaalsContact O-N 3.14Å; V528-L531 PolarHBondContact O-N 2.93Å; V528-F532 HydrophobicContact CG1-CD2 3.86Å; V528-F532 PolarHBondContact O-N 3.34Å; V528-V535 HydrophobicContact CG1-CG2 4.27Å
529	T	98.6	Very high	98.3	Very high	14 Å²	14	43.6 Å²	43.6	9%	0.086	23%	0.233	C	C	.	.	H	α-helix	trans	-56	-30.2	177.4	-65.6	0	0	0	0	112.8	F525 E526 L531 F532 P533 E536 L540	F525-T529 PolarHBondContact O-N 3.38Å; F525-T529 PolarHBondContact O-OG1 3.04Å; E526-T529 PolarHBondContact O-N 2.95Å; T529-L531 PolarHBondContact O-N 3.38Å; T529-F532 CarbonylContact O-C 3.18Å; T529-F532 PolarHBondContact O-N 3.38Å; T529-P533 WeakPolarHBondContact O-CA 3.4Å; T529-P533 VanDerWaalsContact O-N 3.12Å; T529-E536 HydrophobicContact CG2-CB 3.81Å; T529-L540 WeakPolarHBondContact OG1-CD1 3.47Å
530	K	98.3	Very high	98.4	Very high	144 Å²	144	36.7 Å²	36.7	63%	0.626	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-30.9	175.7	-64.1	176.1	-177.6	178.6	0	113.1	M439 T527 V528	M439-K530 HydrophobicContact CE-CB 3.53Å; M439-K530 HydrophobicContact CE-CD 4.15Å; M439-K530 HydrophobicContact CE-CG 4.49Å; T527-K530 WeakPolarHBondContact O-CB 3.29Å; T527-K530 PolarHBondContact O-N 2.98Å; V528-K530 PolarHBondContact O-N 3.17Å; V528-K530 VanDerWaalsContact O-N 3.14Å
531	L	98.3	Very high	98.4	Very high	30 Å²	30	39.2 Å²	39.2	16%	0.157	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-35.2	173.1	-64	-177.1	0	0	0	112	F435 M439 F442 L453 V528 T529	F435-L531 HydrophobicContact CE2-CD1 4.49Å; F435-L531 HydrophobicContact CZ-CD1 3.93Å; M439-L531 HydrophobicContact CE-CD1 4.46Å; M439-L531 HydrophobicContact CE-CD2 3.61Å; M439-L531 HydrophobicContact CE-CG 3.66Å; M439-L531 HydrophobicContact SD-CD1 3.74Å; M439-L531 HydrophobicContact SD-CD2 3.73Å; M439-L531 HydrophobicContact SD-CG 3.6Å; M439-L531 VanDerWaalsContact SD-CG 3.6Å; F442-L531 HydrophobicContact CB-CD2 3.94Å; F442-L531 HydrophobicContact CD1-CD1 3.99Å; F442-L531 HydrophobicContact CD1-CD2 3.68Å; F442-L531 HydrophobicContact CD2-CD1 4.26Å; F442-L531 HydrophobicContact CE1-CD1 3.91Å; F442-L531 HydrophobicContact CE1-CD2 4.38Å; F442-L531 HydrophobicContact CE2-CD1 4.19Å; F442-L531 HydrophobicContact CG-CD1 4.18Å; F442-L531 HydrophobicContact CG-CD2 3.78Å; F442-L531 HydrophobicContact CZ-CD1 4.02Å; L453-L531 HydrophobicContact CD1-CD1 3.79Å; L453-L531 HydrophobicContact CD2-CD1 4.16Å; V528-L531 PolarHBondContact O-N 2.93Å; T529-L531 PolarHBondContact O-N 3.38Å
532	F	98.5	Very high	98.4	Very high	10 Å²	10	40.7 Å²	40.7	4%	0.044	22%	0.222	C	C	.	.			trans	-129.9	82.8	-174.8	-51.3	-69.9	0	0	0	110.8	C331 L333 K336 L453 V528 T529 V534 V535	C331-F532 HydrophobicContact CB-CB 4.2Å; C331-F532 HydrophobicContact CB-CD1 3.62Å; C331-F532 HydrophobicContact CB-CD2 4.27Å; C331-F532 HydrophobicContact CB-CE1 4Å; C331-F532 HydrophobicContact CB-CG 3.76Å; C331-F532 HydrophobicContact CB-CZ 4.48Å; L333-F532 HydrophobicContact CD2-CE1 3.96Å; L333-F532 HydrophobicContact CD2-CE2 4.29Å; L333-F532 HydrophobicContact CD2-CZ 3.69Å; K336-F532 HydrophobicContact CG-CE1 4.5Å; L453-F532 HydrophobicContact CD1-CE2 4.22Å; L453-F532 HydrophobicContact CD2-CE2 4.47Å; L453-F532 HydrophobicContact CD2-CZ 4.36Å; V528-F532 HydrophobicContact CG1-CD2 3.86Å; V528-F532 PolarHBondContact O-N 3.34Å; T529-F532 CarbonylContact O-C 3.18Å; T529-F532 PolarHBondContact O-N 3.38Å; F532-V534 PolarHBondContact O-N 2.88Å; F532-V535 HydrophobicContact CB-CG2 3.78Å; F532-V535 VanDerWaalsContact O-CB 3.26Å; F532-V535 WeakPolarHBondContact O-CB 3.47Å; F532-V535 WeakPolarHBondContact O-CG2 3.41Å; F532-V535 PolarHBondContact O-N 3.32Å
533	P	98.4	Very high	98.5	Very high	94 Å²	94	40.1 Å²	40.1	61%	0.61	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.7	-173.7	-29.3	36.6	0	0	0	114.9	T529 V535 E536	T529-P533 WeakPolarHBondContact O-CA 3.4Å; T529-P533 VanDerWaalsContact O-N 3.12Å; P533-V535 PolarHBondContact O-N 3.43Å; P533-E536 WeakPolarHBondContact O-CB 3.46Å; P533-E536 PolarHBondContact O-N 2.84Å; P533-E536 VanDerWaalsContact O-N 3.14Å
534	V	98.1	Very high	98.4	Very high	66 Å²	66	41.5 Å²	41.5	40%	0.4	22%	0.22	S	C	.	.	H	α-helix	trans	-61.5	-21.6	176.5	70.4	0	0	0	0	113.5	L330 F532 E536 I538	L330-V534 HydrophobicContact CD1-CB 4.36Å; L330-V534 HydrophobicContact CD1-CG1 3.92Å; L330-V534 HydrophobicContact CD1-CG2 3.62Å; L330-V534 HydrophobicContact CG-CG1 3.96Å; L330-V534 VanDerWaalsContact O-CG1 3.3Å; L330-V534 WeakPolarHBondContact O-CG1 3.34Å; F532-V534 PolarHBondContact O-N 2.88Å; V534-E536 PolarHBondContact O-N 3.2Å; V534-I538 HydrophobicContact CG2-CG1 4.48Å; V534-I538 PolarHBondContact O-N 3.45Å
535	V	98.4	Very high	98.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-28	175.9	172.5	0	0	0	0	111.6	L330 F525 V528 F532 P533 M539 L540	L330-V535 HydrophobicContact CD2-CG2 4.49Å; F525-V535 HydrophobicContact CD1-CG1 3.88Å; V528-V535 HydrophobicContact CG1-CG2 4.27Å; F532-V535 HydrophobicContact CB-CG2 3.78Å; F532-V535 VanDerWaalsContact O-CB 3.26Å; F532-V535 WeakPolarHBondContact O-CB 3.47Å; F532-V535 WeakPolarHBondContact O-CG2 3.41Å; F532-V535 PolarHBondContact O-N 3.32Å; P533-V535 PolarHBondContact O-N 3.43Å; V535-M539 HydrophobicContact CG1-CB 3.96Å; V535-M539 HydrophobicContact CG1-CG 4.26Å; V535-M539 HydrophobicContact CG1-SD 4.03Å; V535-M539 HydrophobicContact CG2-SD 4.44Å; V535-M539 WeakPolarHBondContact O-CA 3.43Å; V535-M539 WeakPolarHBondContact O-CB 3.41Å; V535-M539 PolarHBondContact O-N 2.84Å; V535-L540 PolarHBondContact O-N 3.22Å; V535-L540 VanDerWaalsContact O-N 3.15Å
536	E	98.3	Very high	98.4	Very high	98 Å²	98	47.2 Å²	47.2	46%	0.458	25%	0.248	S	C	.	.	I	π-helix	trans	-60.8	-57.1	-179.5	-169.2	174.7	134.2	0	0	111.9	T529 P533 V534 I538 L540 Q541 W544	T529-E536 HydrophobicContact CG2-CB 3.81Å; P533-E536 WeakPolarHBondContact O-CB 3.46Å; P533-E536 PolarHBondContact O-N 2.84Å; P533-E536 VanDerWaalsContact O-N 3.14Å; V534-E536 PolarHBondContact O-N 3.2Å; E536-I538 VanDerWaalsContact C-N 3.29Å; E536-I538 PolarHBondContact O-N 3.06Å; E536-L540 HydrophobicContact CB-CD1 4.38Å; E536-L540 HydrophobicContact CG-CB 4.45Å; E536-L540 HydrophobicContact CG-CD1 4.16Å; E536-L540 WeakPolarHBondContact O-CB 3.28Å; E536-L540 PolarHBondContact O-N 3.36Å; E536-L540 VanDerWaalsContact O-N 3.15Å; E536-Q541 PolarHBondContact O-N 3.07Å; E536-W544 HydrophobicContact CG-CH2 3.8Å; E536-W544 HydrophobicContact CG-CZ3 4.39Å
537	A	98	Very high	98.4	Very high	71 Å²	71	46 Å²	46	59%	0.587	24%	0.239	S	C	*	.	I	π-helix	trans	-68.1	-29.4	-176.4	0	0	0	0	0	113
538	I	98.4	Very high	98.4	Very high	70 Å²	70	49.3 Å²	49.3	36%	0.359	26%	0.257	S	S	.	.	I	π-helix	trans	-98	-28.6	-171.8	-59	-57.3	0	0	0	112.7	P259 L330 V534 E536	P259-I538 HydrophobicContact CG-CG2 3.58Å; L330-I538 HydrophobicContact CD1-CB 4.12Å; L330-I538 HydrophobicContact CD1-CG1 3.83Å; L330-I538 HydrophobicContact CD1-CG2 4.13Å; L330-I538 HydrophobicContact CD2-CB 4.06Å; L330-I538 HydrophobicContact CD2-CG2 3.8Å; V534-I538 HydrophobicContact CG2-CG1 4.48Å; V534-I538 PolarHBondContact O-N 3.45Å; E536-I538 VanDerWaalsContact C-N 3.29Å; E536-I538 PolarHBondContact O-N 3.06Å
539	M	98.7	Very high	98.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.273	C	S	.	.	I	π-helix	trans	-125.5	-38.8	-173	-51.6	-177.4	88.5	0	0	114.2	M323 M327 L330 V467 F525 V535 L543	M323-M539 HydrophobicContact CE-CE 4.41Å; M323-M539 HydrophobicContact CG-CE 4.21Å; M323-M539 HydrophobicContact SD-CE 3.4Å; M323-M539 WeakPolarHBondContact SD-CE 3.4Å; M327-M539 HydrophobicContact CE-SD 4.2Å; M327-M539 HydrophobicContact CG-CE 4.06Å; M327-M539 HydrophobicContact CG-SD 4.27Å; M327-M539 HydrophobicContact SD-CE 4.14Å; M327-M539 HydrophobicContact SD-SD 4.45Å; L330-M539 HydrophobicContact CD2-CG 4.1Å; L330-M539 HydrophobicContact CD2-SD 3.86Å; V467-M539 HydrophobicContact CG1-CB 3.62Å; V467-M539 HydrophobicContact CG1-CE 3.76Å; V467-M539 HydrophobicContact CG1-CG 3.74Å; V467-M539 HydrophobicContact CG2-CB 4.41Å; V467-M539 HydrophobicContact CG2-CE 4.49Å; F525-M539 HydrophobicContact CD1-CB 4.07Å; F525-M539 HydrophobicContact CD1-SD 4.3Å; F525-M539 HydrophobicContact CE1-CB 4.17Å; F525-M539 HydrophobicContact CE1-CE 3.56Å; F525-M539 HydrophobicContact CE1-SD 3.8Å; F525-M539 HydrophobicContact CZ-CE 4.1Å; V535-M539 HydrophobicContact CG1-CB 3.96Å; V535-M539 HydrophobicContact CG1-CG 4.26Å; V535-M539 HydrophobicContact CG1-SD 4.03Å; V535-M539 HydrophobicContact CG2-SD 4.44Å; V535-M539 WeakPolarHBondContact O-CA 3.43Å; V535-M539 WeakPolarHBondContact O-CB 3.41Å; V535-M539 PolarHBondContact O-N 2.84Å; M539-L543 VanDerWaalsContact O-CG 3.31Å; M539-L543 WeakPolarHBondContact O-CG 3.41Å
540	L	98.4	Very high	98.3	Very high	3 Å²	3	53 Å²	53	2%	0.016	27%	0.269	C	S	.	.	I	π-helix	trans	-73.3	-37.5	174.6	-77.7	170.2	0	0	0	112.4	I522 F525 E526 T529 V535 E536 L543 W544	I522-L540 HydrophobicContact CG2-CD2 4.35Å; F525-L540 HydrophobicContact CB-CD2 3.57Å; F525-L540 HydrophobicContact CB-CG 3.99Å; E526-L540 HydrophobicContact CG-CD1 3.97Å; E526-L540 HydrophobicContact CG-CD2 4.08Å; T529-L540 WeakPolarHBondContact OG1-CD1 3.47Å; V535-L540 PolarHBondContact O-N 3.22Å; V535-L540 VanDerWaalsContact O-N 3.15Å; E536-L540 HydrophobicContact CB-CD1 4.38Å; E536-L540 HydrophobicContact CG-CB 4.45Å; E536-L540 HydrophobicContact CG-CD1 4.16Å; E536-L540 WeakPolarHBondContact O-CB 3.28Å; E536-L540 PolarHBondContact O-N 3.36Å; E536-L540 VanDerWaalsContact O-N 3.15Å; L540-L543 HydrophobicContact CD2-CD1 4.33Å; L540-L543 WeakPolarHBondContact O-CB 3.26Å; L540-L543 PolarHBondContact O-N 2.88Å; L540-L543 VanDerWaalsContact O-N 3.07Å; L540-W544 HydrophobicContact CB-CH2 4.09Å; L540-W544 HydrophobicContact CB-CZ2 3.89Å; L540-W544 HydrophobicContact CB-CZ3 4.48Å; L540-W544 HydrophobicContact CD1-CZ2 4.23Å; L540-W544 HydrophobicContact CG-CZ2 4.5Å; L540-W544 PolarHBondContact O-N 3.48Å
541	Q	98.4	Very high	98.3	Very high	79 Å²	79	48.4 Å²	48.4	37%	0.369	25%	0.25	S	C	.	.	H	α-helix	trans	-57.2	-50.8	179.5	-179.3	66.5	37.6	0	0	112.5	E536 L543 W544 E545	E536-Q541 PolarHBondContact O-N 3.07Å; Q541-L543 VanDerWaalsContact C-N 3.28Å; Q541-L543 PolarHBondContact O-N 2.83Å; Q541-W544 HydrophobicContact CB-CE3 4.47Å; Q541-W544 PolarHBondContact O-N 3.16Å; Q541-E545 WeakPolarHBondContact CG-OE1 3.43Å; Q541-E545 PolarHBondContact NE2-OE1 3.34Å; Q541-E545 WeakPolarHBondContact O-CG 3.45Å; Q541-E545 PolarHBondContact O-N 3.36Å; Q541-E545 VanDerWaalsContact O-N 3.09Å
542	P	98.4	Very high	98.2	Very high	31 Å²	31	51.5 Å²	51.5	20%	0.201	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-35	172.3	-25.4	34.1	0	0	0	114.1	V467 E545 S546	V467-P542 WeakPolarHBondContact O-CB 3.47Å; P542-E545 PolarHBondContact O-N 2.97Å; P542-S546 VanDerWaalsContact O-CB 3.25Å; P542-S546 WeakPolarHBondContact O-CB 3.37Å; P542-S546 PolarHBondContact O-N 2.98Å
543	L	98.7	Very high	98	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.5	-38.5	177.7	-69.7	172.1	0	0	0	112.3	E466 V467 I517 L521 I522 F525 M539 L540 Q541 R547	E466-L543 HydrophobicContact CB-CD2 3.73Å; E466-L543 WeakPolarHBondContact O-CD2 3.42Å; V467-L543 HydrophobicContact CG2-CD1 4.03Å; V467-L543 HydrophobicContact CG2-CD2 4.01Å; V467-L543 HydrophobicContact CG2-CG 4Å; I517-L543 HydrophobicContact CG2-CB 4.35Å; I517-L543 HydrophobicContact CG2-CD2 4.4Å; I517-L543 WeakPolarHBondContact CG2-O 3.38Å; L521-L543 HydrophobicContact CB-CD1 4.1Å; L521-L543 HydrophobicContact CB-CD2 4.09Å; L521-L543 HydrophobicContact CD1-CD2 3.74Å; I522-L543 HydrophobicContact CG1-CB 4.07Å; F525-L543 HydrophobicContact CB-CD1 4.3Å; F525-L543 HydrophobicContact CD2-CD1 3.74Å; F525-L543 HydrophobicContact CE2-CD1 4.34Å; F525-L543 HydrophobicContact CG-CD1 4.09Å; M539-L543 VanDerWaalsContact O-CG 3.31Å; M539-L543 WeakPolarHBondContact O-CG 3.41Å; L540-L543 HydrophobicContact CD2-CD1 4.33Å; L540-L543 WeakPolarHBondContact O-CB 3.26Å; L540-L543 PolarHBondContact O-N 2.88Å; L540-L543 VanDerWaalsContact O-N 3.07Å; Q541-L543 VanDerWaalsContact C-N 3.28Å; Q541-L543 PolarHBondContact O-N 2.83Å; L543-R547 WeakPolarHBondContact O-CB 3.5Å; L543-R547 PolarHBondContact O-N 3.48Å
544	W	98.6	Very high	97.9	Very high	63 Å²	63	52.4 Å²	52.4	24%	0.239	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-43.8	174	-63	-32.4	0	0	0	111.5	E536 L540 Q541 R547 D548	E536-W544 HydrophobicContact CG-CH2 3.8Å; E536-W544 HydrophobicContact CG-CZ3 4.39Å; L540-W544 HydrophobicContact CB-CH2 4.09Å; L540-W544 HydrophobicContact CB-CZ2 3.89Å; L540-W544 HydrophobicContact CB-CZ3 4.48Å; L540-W544 HydrophobicContact CD1-CZ2 4.23Å; L540-W544 HydrophobicContact CG-CZ2 4.5Å; L540-W544 PolarHBondContact O-N 3.48Å; Q541-W544 HydrophobicContact CB-CE3 4.47Å; Q541-W544 PolarHBondContact O-N 3.16Å; W544-R547 PolarHBondContact O-N 3.14Å; W544-D548 VanDerWaalsContact O-CG 3.23Å; W544-D548 PolarHBondContact O-N 2.9Å
545	E	98.4	Very high	97.7	Very high	113 Å²	113	55.8 Å²	55.8	53%	0.528	27%	0.265	S	S	.	.	H	α-helix	trans	-62.8	-44.5	176.4	-69.4	170.6	-167.9	0	0	111.8	Q541 P542 D548 R549	Q541-E545 WeakPolarHBondContact CG-OE1 3.43Å; Q541-E545 PolarHBondContact NE2-OE1 3.34Å; Q541-E545 WeakPolarHBondContact O-CG 3.45Å; Q541-E545 PolarHBondContact O-N 3.36Å; Q541-E545 VanDerWaalsContact O-N 3.09Å; P542-E545 PolarHBondContact O-N 2.97Å; E545-D548 PolarHBondContact O-N 3.19Å; E545-R549 WeakPolarHBondContact O-CB 3.48Å; E545-R549 PolarHBondContact O-N 3.39Å
546	S	98.3	Very high	97.5	Very high	9 Å²	9	58.9 Å²	58.9	6%	0.063	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-46.4	176.4	175.6	0	0	0	0	111.5	E466 I517 P542 D548 R549 Y550	E466-S546 PolarHBondContact OE2-OG 3.15Å; I517-S546 WeakPolarHBondContact CD1-OG 3.45Å; P542-S546 VanDerWaalsContact O-CB 3.25Å; P542-S546 WeakPolarHBondContact O-CB 3.37Å; P542-S546 PolarHBondContact O-N 2.98Å; S546-D548 PolarHBondContact O-N 3.24Å; S546-R549 PolarHBondContact O-N 3.01Å; S546-Y550 WeakPolarHBondContact O-CD2 3.5Å; S546-Y550 PolarHBondContact O-N 3.28Å; S546-Y550 WeakPolarHBondContact OG-CD2 3.49Å; S546-Y550 WeakPolarHBondContact OG-CE2 3.29Å
547	R	98.3	Very high	97.2	Very high	64 Å²	64	56.2 Å²	56.2	24%	0.242	27%	0.273	C	S	.	.	H	α-helix	trans	-53.5	-52.7	173.8	178.7	-161.6	68.8	-156	-3.9	111	I517 K518 L543 W544 R549 Y550 E551	I517-R547 HydrophobicContact CG2-CB 3.93Å; K518-R547 HydrophobicContact CD-CG 4.02Å; K518-R547 HydrophobicContact CG-CG 3.74Å; L543-R547 WeakPolarHBondContact O-CB 3.5Å; L543-R547 PolarHBondContact O-N 3.48Å; W544-R547 PolarHBondContact O-N 3.14Å; R547-R549 VanDerWaalsContact C-N 3.31Å; R547-R549 PolarHBondContact O-N 3.25Å; R547-Y550 PolarHBondContact O-N 2.85Å; R547-E551 HydrophobicContact CG-CG 4.48Å; R547-E551 WeakPolarHBondContact O-CG 3.48Å; R547-E551 PolarHBondContact O-N 3.32Å
548	D	98.1	Very high	96.9	Very high	75 Å²	75	56 Å²	56	40%	0.401	26%	0.262	S	S	.	.	H	α-helix	trans	-64.3	-39.7	-174.8	-68.3	-7.5	0	0	0	111	W544 E545 S546 E551 E552	W544-D548 VanDerWaalsContact O-CG 3.23Å; W544-D548 PolarHBondContact O-N 2.9Å; E545-D548 PolarHBondContact O-N 3.19Å; S546-D548 PolarHBondContact O-N 3.24Å; D548-E551 PolarHBondContact O-N 3.01Å; D548-E552 PolarHBondContact O-N 3.33Å
549	R	97.4	Very high	96.7	Very high	92 Å²	92	55.2 Å²	55.2	35%	0.347	27%	0.266	S	S	.	.	H	α-helix	trans	-61.1	-47.6	173.5	-176.6	-171.7	174.2	-80.8	10.2	111.9	E474 E545 S546 R547 E551 E552 L553	E474-R549 IonicContact OE1-CZ 2.64Å; E474-R549 IonicContact OE1-NH1 2.77Å; E474-R549 PolarHBondContact OE1-NH1 3.09Å; E474-R549 IonicContact OE1-NH2 3.79Å; E474-R549 PolarHBondContact OE1-NH2 3.01Å; E474-R549 IonicContact OE2-CZ 3.09Å; E474-R549 IonicContact OE2-NH2 3.43Å; E474-R549 PolarHBondContact OE2-NH2 3.22Å; E545-R549 WeakPolarHBondContact O-CB 3.48Å; E545-R549 PolarHBondContact O-N 3.39Å; S546-R549 PolarHBondContact O-N 3.01Å; R547-R549 VanDerWaalsContact C-N 3.31Å; R547-R549 PolarHBondContact O-N 3.25Å; R549-E551 VanDerWaalsContact C-N 3.34Å; R549-E552 PolarHBondContact O-N 2.84Å; R549-L553 WeakPolarHBondContact O-CB 3.34Å; R549-L553 PolarHBondContact O-N 2.84Å
550	Y	98.1	Very high	96.3	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.9	-34.7	178.9	-73.6	-61.3	0	0	0	112.3	E466 M470 V477 A510 Q513 I517 S546 R547 E552 L553 K554	E466-Y550 WeakPolarHBondContact OE1-CE2 2.73Å; E466-Y550 PolarHBondContact OE1-OH 2.93Å; E466-Y550 WeakPolarHBondContact OE2-CE2 3.49Å; M470-Y550 HydrophobicContact CE-CE1 4.2Å; M470-Y550 HydrophobicContact CE-CE2 4.44Å; M470-Y550 WeakPolarHBondContact CE-OH 3.5Å; V477-Y550 WeakPolarHBondContact CG2-OH 3.19Å; A510-Y550 HydrophobicContact CB-CD1 4.37Å; Q513-Y550 HydrophobicContact CB-CD1 4.3Å; Q513-Y550 HydrophobicContact CB-CD2 3.57Å; Q513-Y550 HydrophobicContact CB-CE1 4.28Å; Q513-Y550 HydrophobicContact CB-CE2 3.52Å; Q513-Y550 HydrophobicContact CB-CG 3.98Å; Q513-Y550 HydrophobicContact CG-CD2 4.27Å; Q513-Y550 HydrophobicContact CG-CE1 4.08Å; Q513-Y550 HydrophobicContact CG-CE2 3.74Å; I517-Y550 HydrophobicContact CD1-CD2 3.73Å; I517-Y550 HydrophobicContact CD1-CE2 3.96Å; S546-Y550 WeakPolarHBondContact O-CD2 3.5Å; S546-Y550 PolarHBondContact O-N 3.28Å; S546-Y550 WeakPolarHBondContact OG-CD2 3.49Å; S546-Y550 WeakPolarHBondContact OG-CE2 3.29Å; R547-Y550 PolarHBondContact O-N 2.85Å; Y550-E552 VanDerWaalsContact C-N 3.32Å; Y550-E552 PolarHBondContact O-N 3.35Å; Y550-L553 HydrophobicContact CD1-CD2 4.2Å; Y550-L553 PolarHBondContact O-N 3.44Å; Y550-K554 WeakPolarHBondContact O-CB 3.42Å; Y550-K554 PolarHBondContact O-N 2.9Å
551	E	97.1	Very high	95.9	Very high	48 Å²	48	66.1 Å²	66.1	22%	0.224	32%	0.317	C	S	.	.	H	α-helix	trans	-64.1	-36.3	173.2	-74.5	-172.2	170.8	0	0	112.3	I514 K518 R547 D548 R549 R555	I514-E551 HydrophobicContact CD1-CG 4.1Å; I514-E551 HydrophobicContact CG1-CG 4.07Å; I514-E551 HydrophobicContact CG2-CG 4.12Å; K518-E551 WeakPolarHBondContact CD-OE1 3.35Å; K518-E551 IonicContact NZ-OE1 3.96Å; K518-E551 PolarHBondContact NZ-OE1 2.93Å; R547-E551 HydrophobicContact CG-CG 4.48Å; R547-E551 WeakPolarHBondContact O-CG 3.48Å; R547-E551 PolarHBondContact O-N 3.32Å; D548-E551 PolarHBondContact O-N 3.01Å; R549-E551 VanDerWaalsContact C-N 3.34Å; E551-R555 WeakPolarHBondContact O-CG 3.38Å; E551-R555 PolarHBondContact O-N 3.45Å; E551-R555 PolarHBondContact O-NE 3.37Å
552	E	96.9	Very high	95.5	Very high	95 Å²	95	66.6 Å²	66.6	44%	0.444	32%	0.319	S	S	.	.	H	α-helix	trans	-69	-43.4	171.9	-170.5	62.3	-146	0	0	111.9	D548 R549 Y550 K554 R555 T556	D548-E552 PolarHBondContact O-N 3.33Å; R549-E552 PolarHBondContact O-N 2.84Å; Y550-E552 VanDerWaalsContact C-N 3.32Å; Y550-E552 PolarHBondContact O-N 3.35Å; E552-K554 VanDerWaalsContact C-N 3.31Å; E552-K554 PolarHBondContact O-N 2.91Å; E552-R555 WeakPolarHBondContact O-CB 3.38Å; E552-R555 PolarHBondContact O-N 3Å; E552-R555 VanDerWaalsContact O-N 3.15Å; E552-R555 IonicContact OE2-CZ 3.62Å; E552-R555 IonicContact OE2-NE 3.66Å; E552-R555 IonicContact OE2-NH1 2.67Å; E552-R555 PolarHBondContact OE2-NH1 3.49Å; E552-R555 IonicContact OE2-NH2 3.58Å; E552-R555 PolarHBondContact OE2-NH2 3.39Å; E552-T556 PolarHBondContact O-N 2.99Å; E552-T556 PolarHBondContact O-OG1 2.92Å; E552-T556 VanDerWaalsContact O-OG1 3.09Å
553	L	95.2	Very high	95.1	Very high	50 Å²	50	70.5 Å²	70.5	26%	0.262	34%	0.338	S	S	.	.	H	α-helix	trans	-59.4	-43.4	176	-177.7	60.3	0	0	0	111	A510 R549 Y550 R555 T556 D557	A510-L553 HydrophobicContact CB-CB 4.3Å; A510-L553 HydrophobicContact CB-CD2 4.22Å; A510-L553 HydrophobicContact CB-CG 4.2Å; R549-L553 WeakPolarHBondContact O-CB 3.34Å; R549-L553 PolarHBondContact O-N 2.84Å; Y550-L553 HydrophobicContact CD1-CD2 4.2Å; Y550-L553 PolarHBondContact O-N 3.44Å; L553-R555 VanDerWaalsContact C-N 3.35Å; L553-R555 PolarHBondContact O-N 2.86Å; L553-T556 WeakPolarHBondContact O-CB 3.48Å; L553-T556 PolarHBondContact O-N 3.34Å; L553-D557 PolarHBondContact O-N 2.94Å
554	K	94.8	Very high	94.5	Very high	73 Å²	73	75.6 Å²	75.6	32%	0.317	36%	0.361	S	S	.	.	H	α-helix	trans	-60	-43.6	175.1	-174.7	-176.1	-180	-60	0	111.9	A510 T511 I514 Y550 E552 T556 D557 D558	A510-K554 HydrophobicContact CB-CB 3.94Å; T511-K554 HydrophobicContact CG2-CD 4.41Å; I514-K554 HydrophobicContact CD1-CB 3.83Å; I514-K554 HydrophobicContact CD1-CD 3.77Å; I514-K554 HydrophobicContact CD1-CG 4.37Å; Y550-K554 WeakPolarHBondContact O-CB 3.42Å; Y550-K554 PolarHBondContact O-N 2.9Å; E552-K554 VanDerWaalsContact C-N 3.31Å; E552-K554 PolarHBondContact O-N 2.91Å; K554-T556 VanDerWaalsContact C-N 3.27Å; K554-T556 PolarHBondContact O-N 2.99Å; K554-D557 PolarHBondContact O-N 3.31Å; K554-D558 IonicContact NZ-OD1 3.84Å; K554-D558 IonicContact NZ-OD2 2.65Å; K554-D558 PolarHBondContact NZ-OD2 3.37Å; K554-D558 WeakPolarHBondContact O-CB 3.47Å; K554-D558 PolarHBondContact O-N 3Å
555	R	95.6	Very high	93.9	Very high	136 Å²	136	78.4 Å²	78.4	51%	0.513	38%	0.375	S	S	.	.	H	α-helix	trans	-60.8	-39.7	177	-77.1	178.6	-104.5	154.1	-3.6	111.5	E551 E552 L553 A559	E551-R555 WeakPolarHBondContact O-CG 3.38Å; E551-R555 PolarHBondContact O-N 3.45Å; E551-R555 PolarHBondContact O-NE 3.37Å; E552-R555 WeakPolarHBondContact O-CB 3.38Å; E552-R555 PolarHBondContact O-N 3Å; E552-R555 VanDerWaalsContact O-N 3.15Å; E552-R555 IonicContact OE2-CZ 3.62Å; E552-R555 IonicContact OE2-NE 3.66Å; E552-R555 IonicContact OE2-NH1 2.67Å; E552-R555 PolarHBondContact OE2-NH1 3.49Å; E552-R555 IonicContact OE2-NH2 3.58Å; E552-R555 PolarHBondContact OE2-NH2 3.39Å; L553-R555 VanDerWaalsContact C-N 3.35Å; L553-R555 PolarHBondContact O-N 2.86Å; R555-A559 WeakPolarHBondContact O-CB 3.37Å; R555-A559 PolarHBondContact O-N 2.93Å
556	T	94.4	Very high	93.2	Very high	65 Å²	65	79.2 Å²	79.2	40%	0.399	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-47	176	-55.7	0	0	0	0	111.5	E552 L553 K554 D558 A559 M560	E552-T556 PolarHBondContact O-N 2.99Å; E552-T556 PolarHBondContact O-OG1 2.92Å; E552-T556 VanDerWaalsContact O-OG1 3.09Å; L553-T556 WeakPolarHBondContact O-CB 3.48Å; L553-T556 PolarHBondContact O-N 3.34Å; K554-T556 VanDerWaalsContact C-N 3.27Å; K554-T556 PolarHBondContact O-N 2.99Å; T556-D558 VanDerWaalsContact C-N 3.35Å; T556-D558 PolarHBondContact O-N 3.34Å; T556-A559 PolarHBondContact O-N 3.35Å; T556-M560 HydrophobicContact CG2-SD 4.36Å; T556-M560 WeakPolarHBondContact O-CG 3.48Å; T556-M560 PolarHBondContact O-N 3.5Å
557	D	90.7	Very high	92.4	Very high	42 Å²	42	82.1 Å²	82.1	23%	0.225	40%	0.395	C	S	.	.	H	α-helix	trans	-58.5	-45.3	176.2	-76.1	-9.2	0	0	0	111.8	L553 K554 M560 K561	L553-D557 PolarHBondContact O-N 2.94Å; K554-D557 PolarHBondContact O-N 3.31Å; D557-M560 PolarHBondContact O-N 3.33Å; D557-K561 WeakPolarHBondContact O-CB 3.41Å; D557-K561 WeakPolarHBondContact O-CG 3.4Å; D557-K561 PolarHBondContact O-N 3.18Å
558	D	91.8	Very high	91.4	Very high	67 Å²	67	82.9 Å²	82.9	36%	0.358	40%	0.404	S	S	.	.	H	α-helix	trans	-63.6	-43.7	178.6	-70.9	-22.3	0	0	0	110.8	K554 T556 M560 K561 E562	K554-D558 IonicContact NZ-OD1 3.84Å; K554-D558 IonicContact NZ-OD2 2.65Å; K554-D558 PolarHBondContact NZ-OD2 3.37Å; K554-D558 WeakPolarHBondContact O-CB 3.47Å; K554-D558 PolarHBondContact O-N 3Å; T556-D558 VanDerWaalsContact C-N 3.35Å; T556-D558 PolarHBondContact O-N 3.34Å; D558-M560 PolarHBondContact O-N 2.86Å; D558-K561 PolarHBondContact O-N 3.44Å; D558-E562 WeakPolarHBondContact O-CG 3.47Å; D558-E562 PolarHBondContact O-N 3.09Å
559	A	93.5	Very high	90.3	Very high	53 Å²	53	82.6 Å²	82.6	44%	0.438	41%	0.407	S	S	.	.	H	α-helix	trans	-62.3	-43	176.4	0	0	0	0	0	112.2	R555 T556 E562 L563	R555-A559 WeakPolarHBondContact O-CB 3.37Å; R555-A559 PolarHBondContact O-N 2.93Å; T556-A559 PolarHBondContact O-N 3.35Å; A559-E562 PolarHBondContact O-N 2.99Å; A559-L563 WeakPolarHBondContact O-CD1 3.4Å; A559-L563 PolarHBondContact O-N 3.19Å
560	M	91.3	Very high	89	Confident	124 Å²	124	84.4 Å²	84.4	61%	0.611	42%	0.423	S	S	*	.	H	α-helix	trans	-64.2	-42.2	176.1	-73.3	-177.4	65.5	0	0	112.2	T556 D557 D558 E562 L563 Q564	T556-M560 HydrophobicContact CG2-SD 4.36Å; T556-M560 WeakPolarHBondContact O-CG 3.48Å; T556-M560 PolarHBondContact O-N 3.5Å; D557-M560 PolarHBondContact O-N 3.33Å; D558-M560 PolarHBondContact O-N 2.86Å; M560-E562 PolarHBondContact O-N 3.15Å; M560-L563 WeakPolarHBondContact O-CB 3.45Å; M560-L563 PolarHBondContact O-N 3.27Å; M560-Q564 PolarHBondContact O-N 3.44Å
561	K	89.8	Confident	87.5	Confident	110 Å²	110	88.2 Å²	88.2	48%	0.478	45%	0.447	S	S	.	.	H	α-helix	trans	-62.6	-40.9	175.6	-76.9	178.7	-179	178	0	112.1	D557 D558 Q564 K565	D557-K561 WeakPolarHBondContact O-CB 3.41Å; D557-K561 WeakPolarHBondContact O-CG 3.4Å; D557-K561 PolarHBondContact O-N 3.18Å; D558-K561 PolarHBondContact O-N 3.44Å; K561-Q564 PolarHBondContact O-N 3.03Å; K561-K565 WeakPolarHBondContact O-CG 3.35Å; K561-K565 PolarHBondContact O-N 2.65Å
562	E	90.4	Very high	85.7	Confident	89 Å²	89	88.9 Å²	88.9	42%	0.416	46%	0.457	S	S	.	.	H	α-helix	trans	-67.7	-36.6	176.3	-72.2	-57.4	126.1	0	0	112.6	D558 A559 M560 K565 K566	D558-E562 WeakPolarHBondContact O-CG 3.47Å; D558-E562 PolarHBondContact O-N 3.09Å; A559-E562 PolarHBondContact O-N 2.99Å; M560-E562 PolarHBondContact O-N 3.15Å; E562-K565 IonicContact OE1-NZ 3.75Å; E562-K565 PolarHBondContact OE1-NZ 2.74Å; E562-K566 WeakPolarHBondContact O-CB 3.34Å; E562-K566 VanDerWaalsContact O-CG 3.31Å; E562-K566 WeakPolarHBondContact O-CG 3.49Å; E562-K566 PolarHBondContact O-N 3.01Å
563	L	89.3	Confident	83.7	Confident	112 Å²	112	85.7 Å²	85.7	59%	0.586	45%	0.449	S	S	*	.	H	α-helix	trans	-62.8	-42	171.4	-84.4	154.3	0	0	0	112	A559 M560 K566 T567	A559-L563 WeakPolarHBondContact O-CD1 3.4Å; A559-L563 PolarHBondContact O-N 3.19Å; M560-L563 WeakPolarHBondContact O-CB 3.45Å; M560-L563 PolarHBondContact O-N 3.27Å; L563-K566 PolarHBondContact O-N 3.2Å; L563-T567 PolarHBondContact O-N 3.29Å; L563-T567 PolarHBondContact O-OG1 2.88Å
564	Q	86.7	Confident	81.8	Confident	107 Å²	107	86.1 Å²	86.1	50%	0.5	46%	0.46	S	S	.	.	H	α-helix	trans	-63.5	-48.7	176.8	-171.7	60.9	41.6	0	0	111.1	M560 K561 K566 T567 D568	M560-Q564 PolarHBondContact O-N 3.44Å; K561-Q564 PolarHBondContact O-N 3.03Å; Q564-K566 VanDerWaalsContact C-N 3.31Å; Q564-K566 PolarHBondContact O-N 3.43Å; Q564-T567 WeakPolarHBondContact O-CB 3.3Å; Q564-T567 PolarHBondContact O-N 3.46Å; Q564-D568 PolarHBondContact NE2-OD1 3.07Å; Q564-D568 PolarHBondContact NE2-OD2 2.73Å; Q564-D568 VanDerWaalsContact O-CG 3.24Å; Q564-D568 PolarHBondContact O-N 2.85Å
565	K	87	Confident	79.8	Confident	122 Å²	122	86.4 Å²	86.4	53%	0.53	47%	0.468	S	S	.	.	H	α-helix	trans	-57.6	-40.7	175.5	-70.5	175.3	-169	167.6	0	112.8	K561 E562 S569	K561-K565 WeakPolarHBondContact O-CG 3.35Å; K561-K565 PolarHBondContact O-N 2.65Å; E562-K565 IonicContact OE1-NZ 3.75Å; E562-K565 PolarHBondContact OE1-NZ 2.74Å; K565-S569 WeakPolarHBondContact O-CB 3.41Å; K565-S569 PolarHBondContact O-N 3.05Å; K565-S569 PolarHBondContact O-OG 2.84Å
566	K	83.7	Confident	77.7	Confident	130 Å²	130	86.5 Å²	86.5	57%	0.565	47%	0.474	S	S	*	.	H	α-helix	trans	-64.7	-37.8	174.5	-75.3	175.8	-177.8	176.7	0	112.3	E562 L563 Q564 S569 L570	E562-K566 WeakPolarHBondContact O-CB 3.34Å; E562-K566 VanDerWaalsContact O-CG 3.31Å; E562-K566 WeakPolarHBondContact O-CG 3.49Å; E562-K566 PolarHBondContact O-N 3.01Å; L563-K566 PolarHBondContact O-N 3.2Å; Q564-K566 VanDerWaalsContact C-N 3.31Å; Q564-K566 PolarHBondContact O-N 3.43Å; K566-S569 VanDerWaalsContact CA-OG 3.3Å; K566-S569 WeakPolarHBondContact CA-OG 3.31Å; K566-S569 PolarHBondContact O-OG 2.95Å; K566-L570 WeakPolarHBondContact O-CB 3.42Å; K566-L570 WeakPolarHBondContact O-CD1 3.35Å; K566-L570 VanDerWaalsContact O-CG 3.23Å; K566-L570 WeakPolarHBondContact O-CG 3.33Å; K566-L570 PolarHBondContact O-N 3.32Å; K566-L570 VanDerWaalsContact O-N 3.09Å
567	T	80.6	Confident	75.8	Confident	71 Å²	71	90.6 Å²	90.6	44%	0.436	49%	0.487	S	S	.	.	H	α-helix	trans	-70.8	-40.7	176.9	-53.8	0	0	0	0	111.6	L563 Q564 L570 T571	L563-T567 PolarHBondContact O-N 3.29Å; L563-T567 PolarHBondContact O-OG1 2.88Å; Q564-T567 WeakPolarHBondContact O-CB 3.3Å; Q564-T567 PolarHBondContact O-N 3.46Å; T567-L570 PolarHBondContact O-N 3.01Å; T567-T571 WeakPolarHBondContact O-CG2 3.23Å; T567-T571 PolarHBondContact O-N 3.08Å; T567-T571 PolarHBondContact O-OG1 2.95Å
568	D	77.2	Confident	73.9	Confident	80 Å²	80	91.5 Å²	91.5	43%	0.428	50%	0.496	S	S	.	.	H	α-helix	trans	-68.2	-36.3	178.2	-64.5	-20.1	0	0	0	111.8	Q564 T571 S572	Q564-D568 PolarHBondContact NE2-OD1 3.07Å; Q564-D568 PolarHBondContact NE2-OD2 2.73Å; Q564-D568 VanDerWaalsContact O-CG 3.24Å; Q564-D568 PolarHBondContact O-N 2.85Å; D568-T571 WeakPolarHBondContact CA-OG1 3.47Å; D568-T571 PolarHBondContact O-OG1 3.31Å; D568-T571 VanDerWaalsContact O-OG1 3.08Å; D568-S572 WeakPolarHBondContact O-CB 3.47Å; D568-S572 PolarHBondContact O-N 2.95Å; D568-S572 PolarHBondContact O-OG 2.99Å
569	S	74.2	Confident	72	Confident	68 Å²	68	97.5 Å²	97.5	48%	0.476	51%	0.514	S	S	.	.	H	α-helix	trans	-69.9	-35.9	173	49.5	0	0	0	0	113.2	K565 K566 S572 G573	K565-S569 WeakPolarHBondContact O-CB 3.41Å; K565-S569 PolarHBondContact O-N 3.05Å; K565-S569 PolarHBondContact O-OG 2.84Å; K566-S569 VanDerWaalsContact CA-OG 3.3Å; K566-S569 WeakPolarHBondContact CA-OG 3.31Å; K566-S569 PolarHBondContact O-OG 2.95Å; S569-S572 WeakPolarHBondContact CA-OG 3.45Å; S569-S572 PolarHBondContact O-OG 3.23Å; S569-S572 VanDerWaalsContact O-OG 3.07Å; S569-G573 PolarHBondContact O-N 2.97Å
570	L	71.7	Confident	70	Confident	130 Å²	130	101 Å²	101	68%	0.681	52%	0.521	S	S	*	.	H	α-helix	trans	-71.9	-37.3	175.8	-75.3	167.3	0	0	0	112.6	K566 T567 A574	K566-L570 WeakPolarHBondContact O-CB 3.42Å; K566-L570 WeakPolarHBondContact O-CD1 3.35Å; K566-L570 VanDerWaalsContact O-CG 3.23Å; K566-L570 WeakPolarHBondContact O-CG 3.33Å; K566-L570 PolarHBondContact O-N 3.32Å; K566-L570 VanDerWaalsContact O-N 3.09Å; T567-L570 PolarHBondContact O-N 3.01Å; L570-A574 WeakPolarHBondContact O-CB 3.48Å; L570-A574 PolarHBondContact O-N 3.47Å
571	T	66.2	Low	68.1	Low	80 Å²	80	104.6 Å²	104.6	49%	0.491	53%	0.528	S	S	.	.	H	α-helix	trans	-72	-41	177	48	0	0	0	0	112	T567 D568 A574 T575	T567-T571 WeakPolarHBondContact O-CG2 3.23Å; T567-T571 PolarHBondContact O-N 3.08Å; T567-T571 PolarHBondContact O-OG1 2.95Å; D568-T571 WeakPolarHBondContact CA-OG1 3.47Å; D568-T571 PolarHBondContact O-OG1 3.31Å; D568-T571 VanDerWaalsContact O-OG1 3.08Å; T571-A574 PolarHBondContact O-N 3.02Å; T571-T575 PolarHBondContact O-N 3.11Å; T571-T575 PolarHBondContact O-OG1 2.93Å
572	S	59.5	Low	66.3	Low	63 Å²	63	103.1 Å²	103.1	44%	0.441	53%	0.531	S	S	.	.	H	α-helix	trans	-63.8	-41.4	172.8	52.3	0	0	0	0	112.8	D568 S569 A574 T575 E576	D568-S572 WeakPolarHBondContact O-CB 3.47Å; D568-S572 PolarHBondContact O-N 2.95Å; D568-S572 PolarHBondContact O-OG 2.99Å; S569-S572 WeakPolarHBondContact CA-OG 3.45Å; S569-S572 PolarHBondContact O-OG 3.23Å; S569-S572 VanDerWaalsContact O-OG 3.07Å; S572-A574 VanDerWaalsContact C-N 3.35Å; S572-A574 PolarHBondContact O-N 2.78Å; S572-T575 WeakPolarHBondContact CA-OG1 3.46Å; S572-T575 PolarHBondContact O-N 3.01Å; S572-T575 PolarHBondContact O-OG1 3.17Å; S572-E576 PolarHBondContact O-N 3.38Å
573	G	55.2	Low	64.4	Low	28 Å²	28	108.4 Å²	108.4	29%	0.289	55%	0.548	S	S	.	.	H	α-helix	trans	-67.9	-27.8	174.4	0	0	0	0	0	114.5	S569 K577	S569-G573 PolarHBondContact O-N 2.97Å; G573-K577 PolarHBondContact O-N 3.21Å
574	A	54.4	Low	62.6	Low	58 Å²	58	108.9 Å²	108.9	48%	0.479	55%	0.551	S	S	.	*	H	α-helix	trans	-72.7	-33.9	173.2	0	0	0	0	0	112.4	L570 T571 S572 S578	L570-A574 WeakPolarHBondContact O-CB 3.48Å; L570-A574 PolarHBondContact O-N 3.47Å; T571-A574 PolarHBondContact O-N 3.02Å; S572-A574 VanDerWaalsContact C-N 3.35Å; S572-A574 PolarHBondContact O-N 2.78Å; A574-S578 PolarHBondContact O-N 3.38Å; A574-S578 PolarHBondContact O-OG 3.34Å
575	T	51.9	Low	61	Low	80 Å²	80	108.1 Å²	108.1	49%	0.491	55%	0.553	S	S	.	*	H	α-helix	trans	-69.9	-28.8	172	26.7	0	0	0	0	114	T571 S572 S578 R579	T571-T575 PolarHBondContact O-N 3.11Å; T571-T575 PolarHBondContact O-OG1 2.93Å; S572-T575 WeakPolarHBondContact CA-OG1 3.46Å; S572-T575 PolarHBondContact O-N 3.01Å; S572-T575 PolarHBondContact O-OG1 3.17Å; T575-S578 WeakPolarHBondContact CA-OG 3.4Å; T575-S578 PolarHBondContact O-OG 3.18Å; T575-S578 VanDerWaalsContact O-OG 3.11Å; T575-R579 WeakPolarHBondContact O-CB 3.42Å; T575-R579 WeakPolarHBondContact O-CG 3.43Å; T575-R579 PolarHBondContact O-N 3.06Å; T575-R579 VanDerWaalsContact O-N 3.16Å
576	E	52.9	Low	59.2	Low	137 Å²	137	110.8 Å²	110.8	64%	0.64	57%	0.565	S	S	*	*	H	α-helix	trans	-71.6	-44.8	171.8	-79	-176.2	152.5	0	0	111.7	S572 S578 R579 E580	S572-E576 PolarHBondContact O-N 3.38Å; E576-S578 VanDerWaalsContact C-N 3.3Å; E576-S578 PolarHBondContact O-N 3.16Å; E576-R579 PolarHBondContact O-N 3.31Å; E576-E580 PolarHBondContact O-N 2.83Å
577	K	53	Low	57.6	Low	152 Å²	152	113.3 Å²	113.3	66%	0.661	58%	0.578	S	S	*	*	H	α-helix	trans	-64.3	-30.3	175.4	-79.8	-178.4	176	178.1	0	113.9	G573 R581	G573-K577 PolarHBondContact O-N 3.21Å; K577-R581 PolarHBondContact O-N 3.36Å; K577-R581 VanDerWaalsContact O-N 3.14Å
578	S	52.2	Low	56	Low	60 Å²	60	114.1 Å²	114.1	42%	0.42	59%	0.587	S	S	.	*	H	α-helix	trans	-77.5	-29.8	174.6	70.8	0	0	0	0	113	A574 T575 E576 S582	A574-S578 PolarHBondContact O-N 3.38Å; A574-S578 PolarHBondContact O-OG 3.34Å; T575-S578 WeakPolarHBondContact CA-OG 3.4Å; T575-S578 PolarHBondContact O-OG 3.18Å; T575-S578 VanDerWaalsContact O-OG 3.11Å; E576-S578 VanDerWaalsContact C-N 3.3Å; E576-S578 PolarHBondContact O-N 3.16Å; S578-S582 PolarHBondContact O-N 3.49Å; S578-S582 VanDerWaalsContact O-N 3.13Å; S578-S582 PolarHBondContact O-OG 3.11Å
579	R	50.9	Low	54.7	Low	194 Å²	194	118.8 Å²	118.8	73%	0.732	61%	0.606	S	S	*	*	H	α-helix	trans	-71.4	-36.4	170.5	-83.9	179.4	166.6	179	-2.1	112.8	T575 E576 S582 R583	T575-R579 WeakPolarHBondContact O-CB 3.42Å; T575-R579 WeakPolarHBondContact O-CG 3.43Å; T575-R579 PolarHBondContact O-N 3.06Å; T575-R579 VanDerWaalsContact O-N 3.16Å; E576-R579 PolarHBondContact O-N 3.31Å; R579-S582 PolarHBondContact O-N 3.04Å; R579-R583 PolarHBondContact O-N 3.09Å
580	E	51.9	Low	53.4	Low	126 Å²	126	118.8 Å²	118.8	59%	0.589	62%	0.617	S	S	*	*	H	α-helix	trans	-66.7	-46.3	172.6	-77.7	-179.2	154.2	0	0	111.7	E576 S582 R583 D584	E576-E580 PolarHBondContact O-N 2.83Å; E580-S582 VanDerWaalsContact C-N 3.26Å; E580-S582 PolarHBondContact O-N 3.47Å; E580-R583 PolarHBondContact O-N 3.01Å; E580-D584 PolarHBondContact O-N 3.13Å; E580-D584 VanDerWaalsContact O-N 3.11Å
581	R	52	Low	52.2	Low	199 Å²	199	120.3 Å²	120.3	75%	0.751	63%	0.625	S	S	*	*	H	α-helix	trans	-60.7	-31.8	174.4	-87.8	-175.4	172	-166.8	-2.3	113.9	K577 R583 V585	K577-R581 PolarHBondContact O-N 3.36Å; K577-R581 VanDerWaalsContact O-N 3.14Å; R581-R583 VanDerWaalsContact C-N 3.33Å; R581-V585 WeakPolarHBondContact O-CG2 3.34Å; R581-V585 PolarHBondContact O-N 3.32Å
582	S	51.5	Low	51	Low	80 Å²	80	123.1 Å²	123.1	56%	0.559	65%	0.646	S	S	*	*	H	α-helix	trans	-77.6	-17.5	175.8	-61.3	0	0	0	0	113.5	S578 R579 E580	S578-S582 PolarHBondContact O-N 3.49Å; S578-S582 VanDerWaalsContact O-N 3.13Å; S578-S582 PolarHBondContact O-OG 3.11Å; R579-S582 PolarHBondContact O-N 3.04Å; E580-S582 VanDerWaalsContact C-N 3.26Å; E580-S582 PolarHBondContact O-N 3.47Å
583	R	50.9	Low	50	Low	200 Å²	200	128.5 Å²	128.5	76%	0.755	70%	0.695	S	S	*	*	H	α-helix	trans	-81.6	-38.5	171.4	-78.2	-180	178.1	174.9	-0.5	111.6	R579 E580 R581 V585 K586	R579-R583 PolarHBondContact O-N 3.09Å; E580-R583 PolarHBondContact O-N 3.01Å; R581-R583 VanDerWaalsContact C-N 3.33Å; R583-V585 PolarHBondContact O-N 3.25Å; R583-K586 PolarHBondContact O-N 3.34Å
584	D	51.8	Low	49.7	Very low	122 Å²	122	133.6 Å²	133.6	65%	0.652	72%	0.715	S	S	*	*	H	α-helix	trans	-67.9	-32.2	177.5	-76.9	-30	0	0	0	113.2	E580 K586 H587	E580-D584 PolarHBondContact O-N 3.13Å; E580-D584 VanDerWaalsContact O-N 3.11Å; D584-K586 VanDerWaalsContact C-N 3.34Å; D584-K586 PolarHBondContact O-N 2.97Å; D584-H587 PolarHBondContact O-N 3.14Å
585	V	52.1	Low	49.5	Very low	90 Å²	90	137.5 Å²	137.5	55%	0.545	73%	0.728	S	S	.	*	G	3₁₀ helix	trans	-73.2	-24.7	177.2	175.5	0	0	0	0	112.6	R581 R583 H587 S588	R581-V585 WeakPolarHBondContact O-CG2 3.34Å; R581-V585 PolarHBondContact O-N 3.32Å; R583-V585 PolarHBondContact O-N 3.25Å; V585-H587 VanDerWaalsContact C-N 3.33Å; V585-S588 PolarHBondContact O-OG 3.12Å; V585-S588 VanDerWaalsContact O-OG 3.12Å
586	K	49.2	Very low	49.4	Very low	179 Å²	179	140.7 Å²	140.7	78%	0.778	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-81.4	-9	174.9	-79.7	-168	176.2	-172.4	0	114.1	R583 D584	R583-K586 PolarHBondContact O-N 3.34Å; D584-K586 VanDerWaalsContact C-N 3.34Å; D584-K586 PolarHBondContact O-N 2.97Å
587	H	49.5	Very low	49.1	Very low	183 Å²	183	140.9 Å²	140.9	85%	0.847	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-94.3	-4.7	173.5	-122.4	38.7	0	0	0	113.4	D584 V585	D584-H587 PolarHBondContact O-N 3.14Å; V585-H587 VanDerWaalsContact C-N 3.33Å
588	S	47.5	Very low	48.9	Very low	88 Å²	88	140.3 Å²	140.3	62%	0.615	75%	0.752	S	S	*	*	S	Bend	trans	-104.3	-0.2	179	59	0	0	0	0	115.5	V585	V585-S588 PolarHBondContact O-OG 3.12Å; V585-S588 VanDerWaalsContact O-OG 3.12Å
589	E	49.2	Very low	48.7	Very low	178 Å²	178	145.6 Å²	145.6	83%	0.832	78%	0.775	S	S	*	*	S	Bend	trans	-111	26.9	176.7	-70.9	-169.7	155.5	0	0	113.2
590	G	47	Very low	48.5	Very low	68 Å²	68	142.1 Å²	142.1	70%	0.701	78%	0.778	S	S	*	*	S	Bend	trans	-105.8	-9.4	177.5	0	0	0	0	0	115.9
591	D	47.4	Very low	48.3	Very low	162 Å²	162	143.4 Å²	143.4	87%	0.866	79%	0.792	S	S	*	*			trans	-129.9	83.1	-177.3	-86.3	-29.7	0	0	0	110.5
592	C	40.8	Very low	47.9	Very low	138 Å²	138	138.8 Å²	138.8	93%	0.932	80%	0.796	S	S	*	*			trans	-155	125.4	147.7	-129.3	0	0	0	0	109.1
593	A	38.4	Very low	47.6	Very low	177 Å²	177	144.1 Å²	144.1	100%	1.463	82%	0.817	S	S	*	*			trans	-65	0	-172.6	0	0	0	0	0	115.1

Retrieved 593 of 593 residues in 235.9 ms (Link to these results)

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