A0A3Q0KLQ3_SCHMA Loading...

TBC1 domain family member 15, putative

AlphaFold DB , UniProt , Accession A0A3Q0KLQ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 633 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	20.7	Very low	27.9	Very low	242 Å²	242	149.3 Å²	149.3	100%	1.192	81%	0.807	S	S	*	*				0	129.1	0	-92.2	176.4	171.1	0	0	108
2	Y	20.7	Very low	29.8	Very low	235 Å²	235	145 Å²	145	92%	0.922	78%	0.782	S	S	*	*			trans	51.7	136.1	177.5	-82	-87.8	0	0	0	121.3
3	I	22.7	Very low	31.8	Very low	159 Å²	159	140.5 Å²	140.5	82%	0.815	77%	0.768	S	S	*	*			trans	-82.5	143.3	-172.5	-66.5	157.8	0	0	0	110.5
4	S	23.6	Very low	33.8	Very low	98 Å²	98	133.9 Å²	133.9	69%	0.685	73%	0.731	S	S	*	*			trans	-171.3	97.8	137.6	179.9	0	0	0	0	110.2	Q6	S4-Q6 PolarHBondContact O-N 2.84Å
5	N	24.4	Very low	35.8	Very low	168 Å²	168	129.6 Å²	129.6	90%	0.898	70%	0.702	S	S	*	*			trans	-79.7	95.3	154.9	-98.5	-19.3	0	0	0	106.7
6	Q	25.5	Very low	37.6	Very low	166 Å²	166	122.8 Å²	122.8	78%	0.776	67%	0.672	S	S	*	*			trans	-140.4	106.7	153.9	-74.6	-167.7	-12.9	0	0	107.5	S4 P8	S4-Q6 PolarHBondContact O-N 2.84Å; Q6-P8 VanDerWaalsContact O-CD 3.31Å; Q6-P8 WeakPolarHBondContact O-CD 3.44Å
7	C	24.8	Very low	39.2	Very low	117 Å²	117	118.1 Å²	118.1	79%	0.791	65%	0.648	S	S	*	*			trans	-70.3	111.9	154	-151.6	0	0	0	0	104.8	T9	C7-T9 PolarHBondContact O-N 2.96Å
8	P	31.2	Very low	40.7	Very low	85 Å²	85	111.6 Å²	111.6	55%	0.552	61%	0.612	S	S	*	*			trans	-75.1	108.2	168	20.2	-7.8	0	0	0	105.5	Q6 D10 S11	Q6-P8 VanDerWaalsContact O-CD 3.31Å; Q6-P8 WeakPolarHBondContact O-CD 3.44Å; P8-D10 PolarHBondContact O-N 3.08Å; P8-S11 PolarHBondContact O-N 3.48Å
9	T	30.6	Very low	42.2	Very low	130 Å²	130	106.3 Å²	106.3	80%	0.798	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	20.1	171.6	40.8	0	0	0	0	113.5	C7	C7-T9 PolarHBondContact O-N 2.96Å
10	D	34	Very low	43.5	Very low	148 Å²	148	101.1 Å²	101.1	79%	0.791	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.5	54.3	171.7	-74.3	-47.5	0	0	0	109.7	P8 I12	P8-D10 PolarHBondContact O-N 3.08Å; D10-I12 PolarHBondContact O-N 3.4Å
11	S	48.3	Very low	44.5	Very low	94 Å²	94	96.7 Å²	96.7	66%	0.657	53%	0.53	S	S	*	.			trans	-78.6	107.3	170.5	44.6	0	0	0	0	109.2	P8 S13	P8-S11 PolarHBondContact O-N 3.48Å; S11-S13 PolarHBondContact O-N 3.26Å; S11-S13 VanDerWaalsContact O-N 3.09Å
12	I	51.7	Low	46.9	Very low	98 Å²	98	88 Å²	88	50%	0.503	49%	0.489	S	S	.	.			trans	-61.2	114.1	175.6	-55.5	170.8	0	0	0	107.7	D10 I14 L41	D10-I12 PolarHBondContact O-N 3.4Å; I12-I14 PolarHBondContact O-N 3.1Å; I12-L41 HydrophobicContact CB-CD2 3.99Å; I12-L41 HydrophobicContact CD1-CD2 4.25Å; I12-L41 HydrophobicContact CG2-CD1 4.17Å; I12-L41 HydrophobicContact CG2-CD2 3.49Å; I12-L41 VanDerWaalsContact CG2-CD2 3.49Å; I12-L41 HydrophobicContact CG2-CG 3.83Å
13	S	55.1	Low	49	Very low	87 Å²	87	80.9 Å²	80.9	61%	0.608	46%	0.463	S	S	*	.			trans	-76.2	106.1	-179.5	-176.4	0	0	0	0	109.7	S11	S11-S13 PolarHBondContact O-N 3.26Å; S11-S13 VanDerWaalsContact O-N 3.09Å
14	I	59.6	Low	50.7	Low	47 Å²	47	76 Å²	76	24%	0.241	45%	0.453	C	S	.	.			trans	-84.9	121.3	176.4	-56.4	167.8	0	0	0	108.3	I12 P33 Q37 L41 D45	I12-I14 PolarHBondContact O-N 3.1Å; I14-P33 HydrophobicContact CG2-CB 4.08Å; I14-Q37 HydrophobicContact CG2-CG 4.11Å; I14-L41 HydrophobicContact CD1-CD2 3.86Å; I14-L41 HydrophobicContact CG1-CD1 4.07Å; I14-L41 HydrophobicContact CG1-CD2 3.65Å; I14-D45 HydrophobicContact CD1-CB 3.71Å
15	K	63.6	Low	52.6	Low	70 Å²	70	75.8 Å²	75.8	30%	0.304	45%	0.451	S	S	.	.			trans	-82.4	141.3	173.1	-51.5	-179	-153.4	152.4	0	109.7	P33 H34 D36 Q37	K15-P33 CarbonylContact O-C 3.46Å; K15-P33 WeakPolarHBondContact O-CA 3.27Å; K15-H34 HydrophobicContact CB-CB 4.35Å; K15-H34 PolarHBondContact O-N 3.49Å; K15-D36 IonicContact NZ-OD2 3.27Å; K15-D36 PolarHBondContact NZ-OD2 2.96Å; K15-Q37 PolarHBondContact O-NE2 3.17Å
16	G	65.7	Low	54.7	Low	21 Å²	21	70.7 Å²	70.7	22%	0.216	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	173.1	177.5	0	0	0	0	0	111.5	W31 V32 H34	G16-W31 VanDerWaalsContact C-CH2 3.4Å; G16-W31 VanDerWaalsContact CA-CZ2 3.46Å; G16-W31 VanDerWaalsContact N-CH2 3.32Å; G16-W31 WeakPolarHBondContact O-CZ3 3.48Å; G16-V32 CarbonylContact C-O 3.51Å; G16-V32 WeakPolarHBondContact CA-O 3.37Å; G16-H34 WeakPolarHBondContact CA-CD2 3.37Å
17	T	64.1	Low	57.1	Low	43 Å²	43	63.8 Å²	63.8	26%	0.264	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.8	174.3	-56	0	0	0	0	108.1	V32 H34	T17-V32 PolarHBondContact N-O 3.35Å; T17-V32 PolarHBondContact O-N 3Å; T17-H34 PolarHBondContact OG1-NE2 3.4Å
18	L	67.4	Low	59.6	Low	1 Å²	1	58.2 Å²	58.2	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	141.4	168.1	-163.9	82.9	0	0	0	107.5	I29 H30 W31 F85 F87 F95 F225	L18-I29 HydrophobicContact CD1-CG2 3.8Å; L18-I29 HydrophobicContact CD2-CG2 4.1Å; L18-I29 HydrophobicContact CG-CG2 3.9Å; L18-H30 CarbonylContact C-O 3.51Å; L18-H30 VanDerWaalsContact CA-O 3.22Å; L18-H30 WeakPolarHBondContact CA-O 3.37Å; L18-H30 WeakPolarHBondContact CD1-O 3.29Å; L18-W31 HydrophobicContact CB-CE3 3.99Å; L18-W31 HydrophobicContact CB-CZ3 4.36Å; L18-W31 HydrophobicContact CD1-CB 3.97Å; L18-W31 HydrophobicContact CD1-CE3 3.97Å; L18-F85 HydrophobicContact CD1-CD1 4.07Å; L18-F85 HydrophobicContact CD1-CE1 3.75Å; L18-F85 HydrophobicContact CD1-CZ 4.1Å; L18-F87 HydrophobicContact CD2-CE1 4.13Å; L18-F87 HydrophobicContact CD2-CZ 4.47Å; L18-F95 HydrophobicContact CD2-CD2 3.95Å; L18-F95 HydrophobicContact CD2-CE2 3.35Å; L18-F95 HydrophobicContact CD2-CZ 3.67Å; L18-F95 HydrophobicContact CG-CE2 4.44Å; L18-F225 HydrophobicContact CB-CD1 3.66Å; L18-F225 HydrophobicContact CB-CE1 3.65Å; L18-F225 HydrophobicContact CD2-CD1 4.34Å; L18-F225 HydrophobicContact CD2-CE1 4.34Å; L18-F225 HydrophobicContact CG-CD1 4.47Å; L18-F225 VanDerWaalsContact O-CD1 3.23Å; L18-F225 WeakPolarHBondContact O-CD1 3.36Å
19	F	67.5	Low	62	Low	10 Å²	10	54.2 Å²	54.2	4%	0.044	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	157	173.4	57.7	-83.2	0	0	0	111.1	T21 H30 V32 I179 A226 V228	F19-T21 HydrophobicContact CD2-CG2 4.02Å; F19-T21 HydrophobicContact CE2-CG2 3.97Å; F19-H30 HydrophobicContact CD1-CB 3.91Å; F19-H30 HydrophobicContact CD2-CB 3.79Å; F19-H30 AromaticContact CD2-CD2 3.86Å; F19-H30 HydrophobicContact CE1-CB 3.36Å; F19-H30 HydrophobicContact CE2-CB 3.24Å; F19-H30 AromaticContact CE2-CD2 3.38Å; F19-H30 WeakPolarHBondContact CE2-CD2 3.45Å; F19-H30 AromaticContact CE2-CG 3.27Å; F19-H30 AromaticContact CE2-ND1 3.95Å; F19-H30 HydrophobicContact CG-CB 4.07Å; F19-H30 HydrophobicContact CZ-CB 2.95Å; F19-H30 AromaticContact CZ-CG 3.39Å; F19-H30 AromaticContact CZ-ND1 3.91Å; F19-H30 PolarHBondContact N-O 3.45Å; F19-H30 PolarHBondContact O-N 3.02Å; F19-V32 HydrophobicContact CE1-CB 4.3Å; F19-V32 HydrophobicContact CE1-CG2 3.6Å; F19-V32 HydrophobicContact CZ-CG2 4.18Å; F19-I179 HydrophobicContact CE1-CD1 3.4Å; F19-I179 VanDerWaalsContact CE1-CD1 3.4Å; F19-I179 HydrophobicContact CE1-CG1 4.28Å; F19-I179 HydrophobicContact CE2-CD1 3.85Å; F19-I179 HydrophobicContact CZ-CD1 2.99Å; F19-I179 HydrophobicContact CZ-CG1 3.79Å; F19-I179 HydrophobicContact CZ-CG2 4.15Å; F19-A226 VanDerWaalsContact CB-O 3.22Å; F19-A226 WeakPolarHBondContact CB-O 3.47Å; F19-V228 HydrophobicContact CD2-CG2 3.89Å; F19-V228 HydrophobicContact CG-CG2 4.5Å
20	L	69.7	Low	64.1	Low	3 Å²	3	48.6 Å²	48.6	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.2	178.5	-61.5	171.9	0	0	0	108.4	I29 F95 L99 L102 V227 V228	L20-I29 HydrophobicContact CD2-CB 4.1Å; L20-I29 HydrophobicContact CD2-CD1 4.05Å; L20-I29 HydrophobicContact CD2-CG1 3.62Å; L20-I29 HydrophobicContact CD2-CG2 4.05Å; L20-F95 HydrophobicContact CD1-CE2 4.42Å; L20-F95 HydrophobicContact CD2-CE2 4.24Å; L20-F95 HydrophobicContact CG-CE2 4.45Å; L20-L99 HydrophobicContact CD1-CB 4.41Å; L20-L99 HydrophobicContact CD1-CD1 4.29Å; L20-L99 HydrophobicContact CD2-CD1 3.98Å; L20-L102 HydrophobicContact CB-CD1 3.85Å; L20-L102 HydrophobicContact CD1-CD1 4.08Å; L20-V227 WeakPolarHBondContact O-CA 3.44Å; L20-V228 PolarHBondContact O-N 3.26Å
21	T	64.9	Low	66	Low	8 Å²	8	43.3 Å²	43.3	5%	0.049	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.8	174.1	49.1	0	0	0	0	108.7	F19 V27 S28 H30 V228	F19-T21 HydrophobicContact CD2-CG2 4.02Å; F19-T21 HydrophobicContact CE2-CG2 3.97Å; T21-V27 CarbonylContact O-C 3.17Å; T21-V27 VanDerWaalsContact O-CA 3.25Å; T21-V27 WeakPolarHBondContact O-CA 3.34Å; T21-V27 WeakPolarHBondContact O-CG1 3.45Å; T21-S28 PolarHBondContact N-O 3.31Å; T21-S28 PolarHBondContact O-N 3.4Å; T21-S28 WeakPolarHBondContact OG1-CB 3.42Å; T21-S28 PolarHBondContact OG1-O 3.05Å; T21-H30 WeakPolarHBondContact CG2-NE2 3.43Å; T21-H30 PolarHBondContact OG1-CD2 2.88Å; T21-H30 PolarHBondContact OG1-NE2 2.72Å; T21-V228 HydrophobicContact CG2-CB 4.16Å
22	D	70.8	Confident	66.8	Low	61 Å²	61	40.1 Å²	40.1	33%	0.326	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119	169.5	-174.5	5.9	0	0	0	109.5	G24 V27 L102	D22-G24 PolarHBondContact OD1-N 3.3Å; D22-V27 HydrophobicContact CB-CG2 4.47Å; D22-L102 HydrophobicContact CB-CD2 4.18Å
23	H	64.7	Low	67.4	Low	84 Å²	84	36.2 Å²	36.2	39%	0.389	22%	0.217	S	C	.	.			trans	-110.1	21.9	176.9	-64.3	-55.7	0	0	0	112.1	S25 K26	H23-S25 PolarHBondContact O-N 3.04Å; H23-K26 PolarHBondContact N-O 3.47Å
24	G	57.2	Low	67.7	Low	58 Å²	58	35.5 Å²	35.5	60%	0.598	20%	0.204	S	C	*	.	S	Bend	trans	74.3	-41.6	179.3	0	0	0	0	0	114.2	D22	D22-G24 PolarHBondContact OD1-N 3.3Å
25	S	64.2	Low	67.4	Low	92 Å²	92	41.3 Å²	41.3	64%	0.643	23%	0.23	S	C	*	.	S	Bend	trans	-104.4	-11.3	175	66.6	0	0	0	0	113.9	H23	H23-S25 PolarHBondContact O-N 3.04Å
26	K	68.8	Low	67.1	Low	61 Å²	61	42.6 Å²	42.6	27%	0.265	24%	0.24	S	C	.	.			trans	-147.2	126.4	-173.5	-176.2	-177.3	178.8	-153	0	108.8	H23 S28 E50 D52	H23-K26 PolarHBondContact N-O 3.47Å; K26-S28 WeakPolarHBondContact CE-OG 3.33Å; K26-E50 IonicContact NZ-OE1 3.24Å; K26-E50 PolarHBondContact NZ-OE1 3.4Å; K26-D52 WeakPolarHBondContact CE-OD2 3.33Å; K26-D52 WeakPolarHBondContact CG-OD2 3.49Å
27	V	75.6	Confident	66.9	Low	21 Å²	21	43 Å²	43	13%	0.127	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.2	170.5	-173	0	0	0	0	107.9	T21 D22 I53 L102	T21-V27 CarbonylContact O-C 3.17Å; T21-V27 VanDerWaalsContact O-CA 3.25Å; T21-V27 WeakPolarHBondContact O-CA 3.34Å; T21-V27 WeakPolarHBondContact O-CG1 3.45Å; D22-V27 HydrophobicContact CB-CG2 4.47Å; V27-I53 HydrophobicContact CB-CB 4.43Å; V27-I53 HydrophobicContact CB-CD1 3.69Å; V27-I53 HydrophobicContact CB-CG1 4.11Å; V27-I53 HydrophobicContact CG1-CD1 3.28Å; V27-I53 HydrophobicContact CG1-CG1 4.03Å; V27-I53 PolarHBondContact O-N 3.33Å; V27-L102 HydrophobicContact CG1-CB 4.1Å; V27-L102 HydrophobicContact CG1-CD1 4.43Å
28	S	77.6	Confident	66.6	Low	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	142.6	-177	-58.3	0	0	0	0	112.7	T21 K26 I51	T21-S28 PolarHBondContact N-O 3.31Å; T21-S28 PolarHBondContact O-N 3.4Å; T21-S28 WeakPolarHBondContact OG1-CB 3.42Å; T21-S28 PolarHBondContact OG1-O 3.05Å; K26-S28 WeakPolarHBondContact CE-OG 3.33Å; S28-I51 CarbonylContact C-O 2.89Å; S28-I51 VanDerWaalsContact CA-O 3.25Å; S28-I51 WeakPolarHBondContact CA-O 3.48Å
29	I	80.7	Confident	66.1	Low	1 Å²	1	51.5 Å²	51.5	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.8	176.2	-43.9	-163.9	0	0	0	108	L18 L20 E50 I51 I53 M56 L74 F95 L99	L18-I29 HydrophobicContact CD1-CG2 3.8Å; L18-I29 HydrophobicContact CD2-CG2 4.1Å; L18-I29 HydrophobicContact CG-CG2 3.9Å; L20-I29 HydrophobicContact CD2-CB 4.1Å; L20-I29 HydrophobicContact CD2-CD1 4.05Å; L20-I29 HydrophobicContact CD2-CG1 3.62Å; L20-I29 HydrophobicContact CD2-CG2 4.05Å; I29-E50 CarbonylContact O-C 3.57Å; I29-E50 WeakPolarHBondContact O-CA 3.28Å; I29-I51 HydrophobicContact CB-CB 4.39Å; I29-I51 PolarHBondContact N-O 2.99Å; I29-I51 PolarHBondContact O-N 3.44Å; I29-I53 HydrophobicContact CG1-CG1 4.33Å; I29-M56 HydrophobicContact CD1-CE 3.34Å; I29-M56 HydrophobicContact CG1-CE 4.14Å; I29-L74 HydrophobicContact CD1-CD1 4.43Å; I29-L74 HydrophobicContact CG2-CD1 4.31Å; I29-F95 HydrophobicContact CD1-CZ 4.19Å; I29-L99 HydrophobicContact CD1-CD1 4.12Å
30	H	75.5	Confident	65.6	Low	12 Å²	12	55.2 Å²	55.2	6%	0.056	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.5	-178.9	-62.2	-100.9	0	0	0	110.4	L18 F19 T21 Y49 E50	L18-H30 CarbonylContact C-O 3.51Å; L18-H30 VanDerWaalsContact CA-O 3.22Å; L18-H30 WeakPolarHBondContact CA-O 3.37Å; L18-H30 WeakPolarHBondContact CD1-O 3.29Å; F19-H30 HydrophobicContact CD1-CB 3.91Å; F19-H30 HydrophobicContact CD2-CB 3.79Å; F19-H30 AromaticContact CD2-CD2 3.86Å; F19-H30 HydrophobicContact CE1-CB 3.36Å; F19-H30 HydrophobicContact CE2-CB 3.24Å; F19-H30 AromaticContact CE2-CD2 3.38Å; F19-H30 WeakPolarHBondContact CE2-CD2 3.45Å; F19-H30 AromaticContact CE2-CG 3.27Å; F19-H30 AromaticContact CE2-ND1 3.95Å; F19-H30 HydrophobicContact CG-CB 4.07Å; F19-H30 HydrophobicContact CZ-CB 2.95Å; F19-H30 AromaticContact CZ-CG 3.39Å; F19-H30 AromaticContact CZ-ND1 3.91Å; F19-H30 PolarHBondContact N-O 3.45Å; F19-H30 PolarHBondContact O-N 3.02Å; T21-H30 WeakPolarHBondContact CG2-NE2 3.43Å; T21-H30 PolarHBondContact OG1-CD2 2.88Å; T21-H30 PolarHBondContact OG1-NE2 2.72Å; H30-Y49 CarbonylContact C-O 3.2Å; H30-Y49 WeakPolarHBondContact CA-O 3.47Å; H30-E50 WeakPolarHBondContact CE1-CG 3.44Å; H30-E50 IonicContact CE1-OE1 2.77Å; H30-E50 IonicContact CE1-OE2 2.92Å
31	W	72.9	Confident	65.1	Low	38 Å²	38	55.7 Å²	55.7	14%	0.144	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125	169.6	173.8	-108.9	0	0	0	109.9	G16 L18 G48 Y49 F85	G16-W31 VanDerWaalsContact C-CH2 3.4Å; G16-W31 VanDerWaalsContact CA-CZ2 3.46Å; G16-W31 VanDerWaalsContact N-CH2 3.32Å; G16-W31 WeakPolarHBondContact O-CZ3 3.48Å; L18-W31 HydrophobicContact CB-CE3 3.99Å; L18-W31 HydrophobicContact CB-CZ3 4.36Å; L18-W31 HydrophobicContact CD1-CB 3.97Å; L18-W31 HydrophobicContact CD1-CE3 3.97Å; W31-G48 CarbonylContact O-C 3.59Å; W31-G48 WeakPolarHBondContact O-CA 3.08Å; W31-Y49 HydrophobicContact CB-CD1 4.27Å; W31-Y49 HydrophobicContact CB-CD2 3.87Å; W31-Y49 HydrophobicContact CB-CE1 3.9Å; W31-Y49 HydrophobicContact CB-CE2 3.44Å; W31-Y49 VanDerWaalsContact CB-CE2 3.44Å; W31-Y49 HydrophobicContact CB-CG 4.27Å; W31-Y49 VanDerWaalsContact CB-CZ 3.46Å; W31-Y49 AromaticContact CD1-CD1 3.93Å; W31-Y49 AromaticContact CD1-CE1 3.26Å; W31-Y49 AromaticContact CD1-CZ 3.54Å; W31-Y49 HydrophobicContact CG-CD1 4.49Å; W31-Y49 AromaticContact CG-CE1 3.82Å; W31-Y49 HydrophobicContact CG-CE1 3.82Å; W31-Y49 HydrophobicContact CG-CE2 4.13Å; W31-Y49 AromaticContact CG-CZ 3.62Å; W31-Y49 PolarHBondContact N-O 2.9Å; W31-Y49 PolarHBondContact O-N 3.34Å; W31-F85 HydrophobicContact CB-CE1 4.1Å; W31-F85 HydrophobicContact CD2-CD1 4.18Å; W31-F85 AromaticContact CD2-CE1 3.78Å; W31-F85 HydrophobicContact CD2-CE1 3.78Å; W31-F85 AromaticContact CE3-CD1 3.83Å; W31-F85 HydrophobicContact CE3-CD1 3.83Å; W31-F85 AromaticContact CE3-CE1 3.81Å; W31-F85 HydrophobicContact CE3-CE1 3.81Å; W31-F85 AromaticContact CG-CE1 3.93Å; W31-F85 HydrophobicContact CG-CE1 3.93Å; W31-F85 HydrophobicContact CZ3-CD1 4.04Å; W31-F85 HydrophobicContact CZ3-CE1 4.45Å
32	V	66	Low	64.9	Low	26 Å²	26	57.8 Å²	57.8	16%	0.158	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	116	175.8	173.5	0	0	0	0	110.5	G16 T17 F19 I175 I179	G16-V32 CarbonylContact C-O 3.51Å; G16-V32 WeakPolarHBondContact CA-O 3.37Å; T17-V32 PolarHBondContact N-O 3.35Å; T17-V32 PolarHBondContact O-N 3Å; F19-V32 HydrophobicContact CE1-CB 4.3Å; F19-V32 HydrophobicContact CE1-CG2 3.6Å; F19-V32 HydrophobicContact CZ-CG2 4.18Å; V32-I175 HydrophobicContact CB-CG2 4.46Å; V32-I175 HydrophobicContact CG1-CG2 4.11Å; V32-I179 HydrophobicContact CG2-CD1 3.84Å; V32-I179 HydrophobicContact CG2-CG1 3.56Å
33	P	65.1	Low	64.1	Low	16 Å²	16	62.2 Å²	62.2	10%	0.104	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	146.7	176	25.5	-29.2	0	0	0	111.4	I14 K15 R46	I14-P33 HydrophobicContact CG2-CB 4.08Å; K15-P33 CarbonylContact O-C 3.46Å; K15-P33 WeakPolarHBondContact O-CA 3.27Å; P33-R46 WeakPolarHBondContact CG-O 3.41Å
34	H	60.2	Low	63.7	Low	72 Å²	72	66 Å²	66	33%	0.333	37%	0.37	S	S	.	.			trans	-74.7	145.4	178.1	-68.5	-171.4	0	0	0	110.8	K15 G16 T17 D36 Q37	K15-H34 HydrophobicContact CB-CB 4.35Å; K15-H34 PolarHBondContact O-N 3.49Å; G16-H34 WeakPolarHBondContact CA-CD2 3.37Å; T17-H34 PolarHBondContact OG1-NE2 3.4Å; H34-D36 WeakPolarHBondContact CB-OD1 3.27Å; H34-D36 PolarHBondContact O-N 3.28Å; H34-D36 VanDerWaalsContact O-N 3.14Å; H34-Q37 VanDerWaalsContact O-CG 3.29Å; H34-Q37 WeakPolarHBondContact O-CG 3.35Å; H34-Q37 PolarHBondContact O-N 3.42Å; H34-Q37 PolarHBondContact O-NE2 2.89Å
35	H	53.5	Low	63.6	Low	169 Å²	169	67.1 Å²	67.1	78%	0.782	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.1	-178.8	-63.3	-70.7	0	0	0	114.6	Q37	H35-Q37 VanDerWaalsContact C-N 3.26Å; H35-Q37 PolarHBondContact O-N 2.96Å
36	D	58.1	Low	63	Low	97 Å²	97	67.7 Å²	67.7	52%	0.519	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	18.3	179.3	73.4	-39.3	0	0	0	113.9	K15 H34	K15-D36 IonicContact NZ-OD2 3.27Å; K15-D36 PolarHBondContact NZ-OD2 2.96Å; H34-D36 WeakPolarHBondContact CB-OD1 3.27Å; H34-D36 PolarHBondContact O-N 3.28Å; H34-D36 VanDerWaalsContact O-N 3.14Å
37	Q	60.5	Low	62.5	Low	30 Å²	30	70.8 Å²	70.8	14%	0.14	36%	0.364	C	S	.	.			trans	-64.8	143.9	178.2	-78.3	-20.6	-75.6	0	0	112.7	I14 K15 H34 H35 L41	I14-Q37 HydrophobicContact CG2-CG 4.11Å; K15-Q37 PolarHBondContact O-NE2 3.17Å; H34-Q37 VanDerWaalsContact O-CG 3.29Å; H34-Q37 WeakPolarHBondContact O-CG 3.35Å; H34-Q37 PolarHBondContact O-N 3.42Å; H34-Q37 PolarHBondContact O-NE2 2.89Å; H35-Q37 VanDerWaalsContact C-N 3.26Å; H35-Q37 PolarHBondContact O-N 2.96Å; Q37-L41 HydrophobicContact CB-CD1 3.77Å; Q37-L41 HydrophobicContact CG-CD1 3.94Å
38	D	57	Low	61.8	Low	115 Å²	115	71.7 Å²	71.7	62%	0.615	38%	0.378	S	S	*	.			trans	-59.3	140.1	177.8	-117.8	-32.6	0	0	0	112.1	S40 L41 R46	D38-S40 PolarHBondContact O-N 3.48Å; D38-L41 PolarHBondContact O-N 3.25Å; D38-R46 PolarHBondContact O-NH2 3.2Å
39	S	57.6	Low	61.5	Low	108 Å²	108	74.6 Å²	74.6	76%	0.755	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.2	-175	35	0	0	0	0	114.1	R46	S39-R46 PolarHBondContact O-NH2 3.48Å
40	S	57.4	Low	61.3	Low	87 Å²	87	79.3 Å²	79.3	61%	0.608	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-7.5	-178.9	53.3	0	0	0	0	115.6	D38	D38-S40 PolarHBondContact O-N 3.48Å
41	L	58	Low	61.4	Low	13 Å²	13	79 Å²	79	7%	0.068	41%	0.41	C	S	.	.	S	Bend	trans	-73.6	145.3	179	-80.7	158.4	0	0	0	113	I12 I14 Q37 D38 D45 R46	I12-L41 HydrophobicContact CB-CD2 3.99Å; I12-L41 HydrophobicContact CD1-CD2 4.25Å; I12-L41 HydrophobicContact CG2-CD1 4.17Å; I12-L41 HydrophobicContact CG2-CD2 3.49Å; I12-L41 VanDerWaalsContact CG2-CD2 3.49Å; I12-L41 HydrophobicContact CG2-CG 3.83Å; I14-L41 HydrophobicContact CD1-CD2 3.86Å; I14-L41 HydrophobicContact CG1-CD1 4.07Å; I14-L41 HydrophobicContact CG1-CD2 3.65Å; Q37-L41 HydrophobicContact CB-CD1 3.77Å; Q37-L41 HydrophobicContact CG-CD1 3.94Å; D38-L41 PolarHBondContact O-N 3.25Å; L41-D45 HydrophobicContact CD2-CB 4.41Å; L41-R46 HydrophobicContact CB-CG 4.49Å
42	S	60.9	Low	61.8	Low	53 Å²	53	77.9 Å²	77.9	37%	0.371	41%	0.407	S	S	.	.			trans	-64.5	151.9	177.2	87.7	0	0	0	0	111.4	E44 D45 R46	S42-E44 PolarHBondContact O-N 2.98Å; S42-D45 WeakPolarHBondContact CB-OD2 3.49Å; S42-D45 PolarHBondContact O-N 2.82Å; S42-D45 WeakPolarHBondContact OG-CB 3.38Å; S42-D45 PolarHBondContact OG-N 3.37Å; S42-D45 PolarHBondContact OG-OD2 3.19Å; S42-R46 PolarHBondContact O-N 3.08Å
43	Q	55.2	Low	62.6	Low	154 Å²	154	76.8 Å²	76.8	72%	0.72	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.5	179.3	-117.8	-177.9	-0.7	0	0	112.7
44	E	56.6	Low	63.5	Low	163 Å²	163	81.6 Å²	81.6	76%	0.762	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-39	176.5	-70	-168.9	155.6	0	0	111.7	S42 R46 K47	S42-E44 PolarHBondContact O-N 2.98Å; E44-R46 PolarHBondContact O-N 3.25Å; E44-K47 WeakPolarHBondContact O-CB 3.35Å; E44-K47 PolarHBondContact O-N 3.26Å
45	D	53.4	Low	64.6	Low	81 Å²	81	82.4 Å²	82.4	43%	0.433	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.5	179.7	-67.7	-40.5	0	0	0	113.3	I14 L41 S42	I14-D45 HydrophobicContact CD1-CB 3.71Å; L41-D45 HydrophobicContact CD2-CB 4.41Å; S42-D45 WeakPolarHBondContact CB-OD2 3.49Å; S42-D45 PolarHBondContact O-N 2.82Å; S42-D45 WeakPolarHBondContact OG-CB 3.38Å; S42-D45 PolarHBondContact OG-N 3.37Å; S42-D45 PolarHBondContact OG-OD2 3.19Å
46	R	53.2	Low	66	Low	104 Å²	104	74.5 Å²	74.5	39%	0.392	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-8.8	171.7	-69.1	-171.3	-176.2	141	14	113.8	P33 D38 S39 L41 S42 E44 G48	P33-R46 WeakPolarHBondContact CG-O 3.41Å; D38-R46 PolarHBondContact O-NH2 3.2Å; S39-R46 PolarHBondContact O-NH2 3.48Å; L41-R46 HydrophobicContact CB-CG 4.49Å; S42-R46 PolarHBondContact O-N 3.08Å; E44-R46 PolarHBondContact O-N 3.25Å; R46-G48 PolarHBondContact O-N 3.17Å
47	K	57.4	Low	67	Low	126 Å²	126	73.2 Å²	73.2	55%	0.548	38%	0.38	S	S	.	.	S	Bend	trans	-83.4	117.9	175.8	-72.4	179.7	178.9	179.2	0	108.7	E44	E44-K47 WeakPolarHBondContact O-CB 3.35Å; E44-K47 PolarHBondContact O-N 3.26Å
48	G	62	Low	68.1	Low	41 Å²	41	73.8 Å²	73.8	42%	0.423	38%	0.381	S	S	.	.			trans	-60	164.4	166.4	0	0	0	0	0	111.4	W31 R46	W31-G48 CarbonylContact O-C 3.59Å; W31-G48 WeakPolarHBondContact O-CA 3.08Å; R46-G48 PolarHBondContact O-N 3.17Å
49	Y	71.3	Confident	69.5	Low	61 Å²	61	68.3 Å²	68.3	24%	0.239	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	148.4	-179.9	48.4	-96.1	0	0	0	112	H30 W31 I51 Y82 F85	H30-Y49 CarbonylContact C-O 3.2Å; H30-Y49 WeakPolarHBondContact CA-O 3.47Å; W31-Y49 HydrophobicContact CB-CD1 4.27Å; W31-Y49 HydrophobicContact CB-CD2 3.87Å; W31-Y49 HydrophobicContact CB-CE1 3.9Å; W31-Y49 HydrophobicContact CB-CE2 3.44Å; W31-Y49 VanDerWaalsContact CB-CE2 3.44Å; W31-Y49 HydrophobicContact CB-CG 4.27Å; W31-Y49 VanDerWaalsContact CB-CZ 3.46Å; W31-Y49 AromaticContact CD1-CD1 3.93Å; W31-Y49 AromaticContact CD1-CE1 3.26Å; W31-Y49 AromaticContact CD1-CZ 3.54Å; W31-Y49 HydrophobicContact CG-CD1 4.49Å; W31-Y49 AromaticContact CG-CE1 3.82Å; W31-Y49 HydrophobicContact CG-CE1 3.82Å; W31-Y49 HydrophobicContact CG-CE2 4.13Å; W31-Y49 AromaticContact CG-CZ 3.62Å; W31-Y49 PolarHBondContact N-O 2.9Å; W31-Y49 PolarHBondContact O-N 3.34Å; Y49-I51 HydrophobicContact CD2-CD1 4.04Å; Y49-I51 HydrophobicContact CD2-CG1 4.23Å; Y49-I51 HydrophobicContact CE2-CD1 4.07Å; Y49-Y82 HydrophobicContact CD1-CD1 4.28Å; Y49-Y82 HydrophobicContact CD1-CE1 4.31Å; Y49-Y82 AromaticContact CD2-CD1 3.59Å; Y49-Y82 HydrophobicContact CD2-CD1 3.59Å; Y49-Y82 AromaticContact CD2-CE1 3.79Å; Y49-Y82 HydrophobicContact CD2-CE1 3.79Å; Y49-Y82 HydrophobicContact CE1-CD1 4.12Å; Y49-Y82 AromaticContact CE2-CD1 3.4Å; Y49-Y82 HydrophobicContact CE2-CD1 3.4Å; Y49-Y82 VanDerWaalsContact CE2-CD1 3.4Å; Y49-Y82 HydrophobicContact CE2-CE1 4.1Å; Y49-Y82 HydrophobicContact CE2-CG 4.19Å; Y49-Y82 HydrophobicContact CG-CD1 4.02Å; Y49-Y82 AromaticContact CG-CE1 3.89Å; Y49-Y82 HydrophobicContact CG-CE1 3.89Å; Y49-Y82 AromaticContact CZ-CD1 3.68Å; Y49-F85 HydrophobicContact CE2-CE1 4.23Å; Y49-F85 AromaticContact CE2-CZ 3.75Å; Y49-F85 HydrophobicContact CE2-CZ 3.75Å; Y49-F85 AromaticContact CZ-CE1 3.9Å; Y49-F85 AromaticContact CZ-CZ 3.71Å; Y49-F85 WeakPolarHBondContact OH-CE1 3.38Å; Y49-F85 WeakPolarHBondContact OH-CZ 3.49Å
50	E	75.6	Confident	70.7	Confident	99 Å²	99	64.5 Å²	64.5	46%	0.463	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.8	174.3	177	-179.3	174.3	0	0	109.3	K26 I29 H30	K26-E50 IonicContact NZ-OE1 3.24Å; K26-E50 PolarHBondContact NZ-OE1 3.4Å; I29-E50 CarbonylContact O-C 3.57Å; I29-E50 WeakPolarHBondContact O-CA 3.28Å; H30-E50 WeakPolarHBondContact CE1-CG 3.44Å; H30-E50 IonicContact CE1-OE1 2.77Å; H30-E50 IonicContact CE1-OE2 2.92Å
51	I	77.9	Confident	71.8	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	114.7	177.5	-63.6	168.1	0	0	0	108.4	S28 I29 Y49 M56 L74 L76 Y82	S28-I51 CarbonylContact C-O 2.89Å; S28-I51 VanDerWaalsContact CA-O 3.25Å; S28-I51 WeakPolarHBondContact CA-O 3.48Å; I29-I51 HydrophobicContact CB-CB 4.39Å; I29-I51 PolarHBondContact N-O 2.99Å; I29-I51 PolarHBondContact O-N 3.44Å; Y49-I51 HydrophobicContact CD2-CD1 4.04Å; Y49-I51 HydrophobicContact CD2-CG1 4.23Å; Y49-I51 HydrophobicContact CE2-CD1 4.07Å; I51-M56 HydrophobicContact CG2-CE 3.63Å; I51-M56 HydrophobicContact CG2-CG 3.97Å; I51-M56 HydrophobicContact CG2-SD 3.93Å; I51-L74 HydrophobicContact CD1-CD1 4.05Å; I51-L76 HydrophobicContact CG1-CD2 4.47Å; I51-L76 HydrophobicContact CG2-CD2 3.44Å; I51-L76 VanDerWaalsContact CG2-CD2 3.44Å; I51-Y82 HydrophobicContact CD1-CD1 4.08Å; I51-Y82 HydrophobicContact CD1-CD2 4.04Å; I51-Y82 HydrophobicContact CD1-CE1 4.49Å; I51-Y82 HydrophobicContact CD1-CG 3.81Å
52	D	80.9	Confident	72.3	Confident	16 Å²	16	68 Å²	68	9%	0.086	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	133.8	170	-167.1	-40.5	0	0	0	109.8	K26 R54 D55	K26-D52 WeakPolarHBondContact CE-OD2 3.33Å; K26-D52 WeakPolarHBondContact CG-OD2 3.49Å; D52-R54 PolarHBondContact O-N 2.96Å; D52-R54 VanDerWaalsContact O-N 3.12Å; D52-R54 VanDerWaalsContact OD1-CB 3.28Å; D52-R54 WeakPolarHBondContact OD1-CB 3.43Å; D52-R54 WeakPolarHBondContact OD1-CG 3.24Å; D52-R54 PolarHBondContact OD1-N 2.98Å; D52-R54 IonicContact OD1-NE 3.81Å; D52-R54 PolarHBondContact OD1-NE 3.47Å; D52-R54 VanDerWaalsContact OD1-NE 3.17Å; D52-R54 IonicContact OD2-CZ 2.63Å; D52-R54 VanDerWaalsContact OD2-CZ 3.26Å; D52-R54 IonicContact OD2-NE 3.21Å; D52-R54 PolarHBondContact OD2-NE 3.3Å; D52-R54 IonicContact OD2-NH2 3.65Å; D52-R54 PolarHBondContact OD2-NH2 2.88Å; D52-D55 PolarHBondContact O-N 3.26Å
53	I	83.3	Confident	72.3	Confident	2 Å²	2	72 Å²	72	1%	0.01	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-58.2	-26.8	176.4	-69.8	-166.9	0	0	0	111.5	V27 I29 D55 M56 L99 A103 I117	V27-I53 HydrophobicContact CB-CB 4.43Å; V27-I53 HydrophobicContact CB-CD1 3.69Å; V27-I53 HydrophobicContact CB-CG1 4.11Å; V27-I53 HydrophobicContact CG1-CD1 3.28Å; V27-I53 HydrophobicContact CG1-CG1 4.03Å; V27-I53 PolarHBondContact O-N 3.33Å; I29-I53 HydrophobicContact CG1-CG1 4.33Å; I53-D55 PolarHBondContact O-N 3.07Å; I53-M56 WeakPolarHBondContact O-CB 3.46Å; I53-M56 PolarHBondContact O-N 3.45Å; I53-L99 HydrophobicContact CD1-CD1 3.69Å; I53-A103 HydrophobicContact CD1-CB 3.76Å; I53-A103 HydrophobicContact CG2-CB 4.25Å; I53-I117 HydrophobicContact CG2-CG2 3.68Å
54	R	82.8	Confident	72.1	Confident	117 Å²	117	66.6 Å²	66.6	44%	0.442	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-65.3	-24	175.8	-65.4	178.2	-70.5	-177.5	3.1	113.2	D52 K77 P119	D52-R54 PolarHBondContact O-N 2.96Å; D52-R54 VanDerWaalsContact O-N 3.12Å; D52-R54 VanDerWaalsContact OD1-CB 3.28Å; D52-R54 WeakPolarHBondContact OD1-CB 3.43Å; D52-R54 WeakPolarHBondContact OD1-CG 3.24Å; D52-R54 PolarHBondContact OD1-N 2.98Å; D52-R54 IonicContact OD1-NE 3.81Å; D52-R54 PolarHBondContact OD1-NE 3.47Å; D52-R54 VanDerWaalsContact OD1-NE 3.17Å; D52-R54 IonicContact OD2-CZ 2.63Å; D52-R54 VanDerWaalsContact OD2-CZ 3.26Å; D52-R54 IonicContact OD2-NE 3.21Å; D52-R54 PolarHBondContact OD2-NE 3.3Å; D52-R54 IonicContact OD2-NH2 3.65Å; D52-R54 PolarHBondContact OD2-NH2 2.88Å; R54-K77 WeakPolarHBondContact O-CE 3.14Å; R54-K77 PolarHBondContact O-NZ 3.27Å; R54-P119 HydrophobicContact CG-CB 4.38Å; R54-P119 HydrophobicContact CG-CG 4.21Å
55	D	83.6	Confident	71.6	Confident	90 Å²	90	65.2 Å²	65.2	48%	0.481	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-93.7	-8.5	-179.6	-62.3	-32.6	0	0	0	112.8	D52 I53 L76 K77	D52-D55 PolarHBondContact O-N 3.26Å; I53-D55 PolarHBondContact O-N 3.07Å; D55-L76 HydrophobicContact CB-CD2 4.34Å; D55-L76 CarbonylContact O-C 3.57Å; D55-L76 VanDerWaalsContact O-CA 3.31Å; D55-L76 WeakPolarHBondContact O-CA 3.36Å; D55-K77 PolarHBondContact O-N 2.73Å
56	M	82.9	Confident	71.2	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.015	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	143.1	174.9	-72.8	-77.5	-153.3	0	0	112.1	I29 I51 I53 L74 L76 K77 I117	I29-M56 HydrophobicContact CD1-CE 3.34Å; I29-M56 HydrophobicContact CG1-CE 4.14Å; I51-M56 HydrophobicContact CG2-CE 3.63Å; I51-M56 HydrophobicContact CG2-CG 3.97Å; I51-M56 HydrophobicContact CG2-SD 3.93Å; I53-M56 WeakPolarHBondContact O-CB 3.46Å; I53-M56 PolarHBondContact O-N 3.45Å; M56-L74 HydrophobicContact CE-CB 3.79Å; M56-L74 HydrophobicContact CE-CD1 3.85Å; M56-L74 HydrophobicContact CE-CD2 3.71Å; M56-L74 HydrophobicContact CE-CG 3.95Å; M56-L74 HydrophobicContact SD-CB 4.05Å; M56-L76 HydrophobicContact SD-CD2 4.12Å; M56-K77 WeakPolarHBondContact O-CE 3.33Å; M56-I117 HydrophobicContact CB-CB 4.48Å
57	D	79	Confident	70.7	Confident	70 Å²	70	68.3 Å²	68.3	37%	0.374	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-57.6	169.1	-170.5	21.2	0	0	0	110.2	S75 K77	D57-S75 PolarHBondContact N-O 3.45Å; D57-K77 HydrophobicContact CB-CG 4.05Å
58	F	83.8	Confident	70.2	Confident	41 Å²	41	68.4 Å²	68.4	18%	0.18	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	156.2	178.6	57.3	-85.9	0	0	0	112.5	V60 S75 R114 Y115	F58-V60 HydrophobicContact CD2-CG2 3.54Å; F58-V60 HydrophobicContact CE2-CG2 3.69Å; F58-S75 WeakPolarHBondContact CZ-OG 3.43Å; F58-S75 PolarHBondContact N-O 2.98Å; F58-S75 WeakPolarHBondContact O-CB 3.44Å; F58-S75 PolarHBondContact O-N 3.02Å; F58-R114 HydrophobicContact CB-CG 4.03Å; F58-R114 HydrophobicContact CD2-CG 3.98Å; F58-R114 HydrophobicContact CG-CG 4.24Å; F58-Y115 CarbonylContact C-O 3.42Å; F58-Y115 VanDerWaalsContact CA-O 3.24Å; F58-Y115 WeakPolarHBondContact CA-O 3.44Å; F58-Y115 WeakPolarHBondContact CB-O 3.31Å
59	L	86.5	Confident	69.6	Low	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.7	172.8	176	159.8	0	0	0	109.1	I61 V72 Y73 L74 F95 L96 L99 R114 Y115 I117	L59-I61 HydrophobicContact CD2-CG1 3.88Å; L59-V72 HydrophobicContact CD1-CG1 3.72Å; L59-V72 HydrophobicContact CD2-CG1 4.03Å; L59-V72 HydrophobicContact CD2-CG2 4.39Å; L59-V72 HydrophobicContact CG-CG1 3.63Å; L59-Y73 CarbonylContact C-O 3.57Å; L59-Y73 WeakPolarHBondContact CA-O 3.49Å; L59-L74 HydrophobicContact CB-CD2 4.32Å; L59-L74 HydrophobicContact CD1-CD2 3.67Å; L59-L74 HydrophobicContact CG-CD2 3.95Å; L59-F95 HydrophobicContact CD1-CD1 4.37Å; L59-F95 HydrophobicContact CD1-CE1 3.76Å; L59-L96 HydrophobicContact CD1-CD2 4.02Å; L59-L96 HydrophobicContact CD2-CD2 3.99Å; L59-L99 HydrophobicContact CD1-CD2 4.11Å; L59-R114 CarbonylContact O-C 3.48Å; L59-R114 WeakPolarHBondContact O-CA 3.47Å; L59-Y115 HydrophobicContact CD2-CD2 4.06Å; L59-Y115 PolarHBondContact N-O 2.77Å; L59-Y115 PolarHBondContact O-N 3Å; L59-I117 HydrophobicContact CB-CD1 3.62Å; L59-I117 HydrophobicContact CB-CG1 4.3Å; L59-I117 HydrophobicContact CD1-CD1 4.03Å; L59-I117 HydrophobicContact CG-CD1 4.49Å
60	V	83	Confident	69.2	Low	29 Å²	29	71.3 Å²	71.3	18%	0.176	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.9	177	-172.3	0	0	0	0	110.5	F58 Y73 N113 R114	F58-V60 HydrophobicContact CD2-CG2 3.54Å; F58-V60 HydrophobicContact CE2-CG2 3.69Å; V60-Y73 PolarHBondContact N-O 3.44Å; V60-Y73 PolarHBondContact O-N 2.86Å; V60-N113 CarbonylContact C-O 3.55Å; V60-N113 WeakPolarHBondContact CA-O 3.43Å; V60-R114 HydrophobicContact CG2-CG 4.3Å
61	I	80	Confident	68.9	Low	10 Å²	10	66.8 Å²	66.8	5%	0.051	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.9	170.2	-64.8	-175.4	0	0	0	109	L59 R70 G71 V72 L96 N113 Y115	L59-I61 HydrophobicContact CD2-CG1 3.88Å; I61-R70 HydrophobicContact CG2-CB 4.26Å; I61-G71 WeakPolarHBondContact CA-O 3.27Å; I61-V72 HydrophobicContact CG1-CG2 4.13Å; I61-L96 HydrophobicContact CD1-CD1 3.35Å; I61-L96 HydrophobicContact CD1-CG 4.1Å; I61-L96 HydrophobicContact CG1-CD1 4.48Å; I61-N113 PolarHBondContact N-O 3.26Å; I61-N113 VanDerWaalsContact O-CB 3.26Å; I61-N113 WeakPolarHBondContact O-CB 3.36Å; I61-Y115 HydrophobicContact CD1-CD2 4.48Å; I61-Y115 HydrophobicContact CD1-CE2 3.86Å; I61-Y115 HydrophobicContact CG1-CE2 4.25Å
62	R	69.9	Low	68.8	Low	164 Å²	164	66.6 Å²	66.6	62%	0.619	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	131.1	172.7	-91	-111.6	-179.3	-173.3	0.7	110.7	G71 Y73	R62-G71 PolarHBondContact N-O 3.3Å; R62-G71 PolarHBondContact O-N 2.72Å; R62-G71 VanDerWaalsContact O-N 3.15Å; R62-Y73 HydrophobicContact CB-CD2 4.27Å; R62-Y73 HydrophobicContact CB-CE2 3.93Å; R62-Y73 HydrophobicContact CG-CD2 4.07Å; R62-Y73 HydrophobicContact CG-CE2 3.81Å
63	K	59.5	Low	68.8	Low	137 Å²	137	69.8 Å²	69.8	60%	0.596	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	115.5	161.2	-64.9	179.5	-176.6	174.4	0	107.4
64	A	52.6	Low	68.8	Low	40 Å²	40	69.8 Å²	69.8	33%	0.331	36%	0.355	S	S	.	.			trans	-74.6	135.6	170.8	0	0	0	0	0	109	C66 F67	A64-C66 PolarHBondContact O-N 3.38Å; A64-C66 VanDerWaalsContact O-N 3.17Å; A64-F67 HydrophobicContact CB-CB 4.42Å
65	P	45.8	Very low	68.7	Low	133 Å²	133	65 Å²	65	86%	0.864	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.4	-178.6	-20.4	31.1	0	0	0	114.4
66	C	43.3	Very low	68.6	Low	109 Å²	109	61.5 Å²	61.5	74%	0.736	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	0.1	-168.4	-44.2	0	0	0	0	114.3	A64	A64-C66 PolarHBondContact O-N 3.38Å; A64-C66 VanDerWaalsContact O-N 3.17Å
67	F	43.9	Very low	68.5	Low	141 Å²	141	67.9 Å²	67.9	62%	0.618	35%	0.348	S	S	*	.			trans	-138.2	141.5	-179.8	-76.3	-82.8	0	0	0	111.2	A64 C69	A64-F67 HydrophobicContact CB-CB 4.42Å; F67-C69 PolarHBondContact O-N 2.71Å
68	P	47.4	Very low	68.2	Low	128 Å²	128	68.7 Å²	68.7	83%	0.831	36%	0.359	S	S	*	.	S	Bend	trans	-69.9	-7.6	176.7	28.4	-33.1	0	0	0	113.4	R70	P68-R70 PolarHBondContact O-N 2.67Å
69	C	49.3	Very low	67.4	Low	47 Å²	47	74.8 Å²	74.8	32%	0.318	39%	0.388	S	S	.	.			trans	-75.4	117.7	-178.8	-55.1	0	0	0	0	110.8	F67	F67-C69 PolarHBondContact O-N 2.71Å
70	R	62.8	Low	66.5	Low	117 Å²	117	80.6 Å²	80.6	44%	0.442	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	114.7	169.2	-66.1	-177.6	-179.1	-179.7	0.1	108.6	I61 P68 S92	I61-R70 HydrophobicContact CG2-CB 4.26Å; P68-R70 PolarHBondContact O-N 2.67Å; R70-S92 WeakPolarHBondContact CB-OG 3.46Å; R70-S92 WeakPolarHBondContact CD-OG 3.38Å
71	G	67.9	Low	65.9	Low	4 Å²	4	83.4 Å²	83.4	4%	0.041	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	149.5	176.7	0	0	0	0	0	112	I61 R62 F85	I61-G71 WeakPolarHBondContact CA-O 3.27Å; R62-G71 PolarHBondContact N-O 3.3Å; R62-G71 PolarHBondContact O-N 2.72Å; R62-G71 VanDerWaalsContact O-N 3.15Å; G71-F85 VanDerWaalsContact CA-O 3.3Å; G71-F85 WeakPolarHBondContact CA-O 3.33Å
72	V	76.3	Confident	65.6	Low	1 Å²	1	85 Å²	85	1%	0.006	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136.4	173.3	167.5	0	0	0	0	110.6	L59 I61 L74 P84 F85 F87 F95	L59-V72 HydrophobicContact CD1-CG1 3.72Å; L59-V72 HydrophobicContact CD2-CG1 4.03Å; L59-V72 HydrophobicContact CD2-CG2 4.39Å; L59-V72 HydrophobicContact CG-CG1 3.63Å; I61-V72 HydrophobicContact CG1-CG2 4.13Å; V72-L74 HydrophobicContact CG1-CD2 3.69Å; V72-L74 HydrophobicContact CG1-CG 4.26Å; V72-P84 WeakPolarHBondContact O-CA 3.26Å; V72-F85 PolarHBondContact N-O 2.89Å; V72-F85 WeakPolarHBondContact O-CD2 3.36Å; V72-F85 PolarHBondContact O-N 3.05Å; V72-F87 HydrophobicContact CB-CE2 3.92Å; V72-F87 HydrophobicContact CB-CZ 4.07Å; V72-F87 HydrophobicContact CG2-CE2 3.51Å; V72-F87 HydrophobicContact CG2-CZ 4.03Å; V72-F95 HydrophobicContact CG1-CE1 4.37Å; V72-F95 HydrophobicContact CG2-CD1 4.45Å
73	Y	81.6	Confident	65.7	Low	83 Å²	83	79 Å²	79	33%	0.325	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.2	165.9	-69.5	-92.3	0	0	0	109.6	L59 V60 R62 Y82 P84	L59-Y73 CarbonylContact C-O 3.57Å; L59-Y73 WeakPolarHBondContact CA-O 3.49Å; V60-Y73 PolarHBondContact N-O 3.44Å; V60-Y73 PolarHBondContact O-N 2.86Å; R62-Y73 HydrophobicContact CB-CD2 4.27Å; R62-Y73 HydrophobicContact CB-CE2 3.93Å; R62-Y73 HydrophobicContact CG-CD2 4.07Å; R62-Y73 HydrophobicContact CG-CE2 3.81Å; Y73-Y82 WeakPolarHBondContact CA-O 3.45Å; Y73-P84 HydrophobicContact CD2-CB 4.46Å; Y73-P84 HydrophobicContact CE1-CB 3.9Å; Y73-P84 HydrophobicContact CE1-CG 4.14Å; Y73-P84 HydrophobicContact CE2-CB 3.78Å; Y73-P84 VanDerWaalsContact CZ-CB 3.47Å; Y73-P84 WeakPolarHBondContact OH-CG 3.34Å
74	L	82.6	Confident	66.1	Low	1 Å²	1	75.5 Å²	75.5	1%	0.005	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.9	177.3	-54.8	173.9	0	0	0	108.2	I29 I51 M56 L59 V72 P81 Y82 F85	I29-L74 HydrophobicContact CD1-CD1 4.43Å; I29-L74 HydrophobicContact CG2-CD1 4.31Å; I51-L74 HydrophobicContact CD1-CD1 4.05Å; M56-L74 HydrophobicContact CE-CB 3.79Å; M56-L74 HydrophobicContact CE-CD1 3.85Å; M56-L74 HydrophobicContact CE-CD2 3.71Å; M56-L74 HydrophobicContact CE-CG 3.95Å; M56-L74 HydrophobicContact SD-CB 4.05Å; L59-L74 HydrophobicContact CB-CD2 4.32Å; L59-L74 HydrophobicContact CD1-CD2 3.67Å; L59-L74 HydrophobicContact CG-CD2 3.95Å; V72-L74 HydrophobicContact CG1-CD2 3.69Å; V72-L74 HydrophobicContact CG1-CG 4.26Å; L74-P81 CarbonylContact O-C 3.55Å; L74-P81 WeakPolarHBondContact O-CA 3.49Å; L74-Y82 PolarHBondContact N-O 3.03Å; L74-Y82 PolarHBondContact O-N 3.21Å; L74-F85 HydrophobicContact CB-CE2 4.44Å; L74-F85 HydrophobicContact CD1-CD2 4.12Å; L74-F85 HydrophobicContact CD1-CE2 3.39Å; L74-F85 HydrophobicContact CD1-CZ 3.97Å; L74-F85 HydrophobicContact CG-CD2 4.21Å; L74-F85 HydrophobicContact CG-CE2 3.7Å
75	S	81.8	Confident	67.1	Low	16 Å²	16	74 Å²	74	11%	0.112	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.7	176.7	-171.4	0	0	0	0	110.1	D57 F58	D57-S75 PolarHBondContact N-O 3.45Å; F58-S75 WeakPolarHBondContact CZ-OG 3.43Å; F58-S75 PolarHBondContact N-O 2.98Å; F58-S75 WeakPolarHBondContact O-CB 3.44Å; F58-S75 PolarHBondContact O-N 3.02Å
76	L	81.3	Confident	68.2	Low	18 Å²	18	72.8 Å²	72.8	9%	0.094	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	161.3	171.1	-57.8	-175	0	0	0	111.4	I51 D55 M56 S78 Q79 K80 Y82	I51-L76 HydrophobicContact CG1-CD2 4.47Å; I51-L76 HydrophobicContact CG2-CD2 3.44Å; I51-L76 VanDerWaalsContact CG2-CD2 3.44Å; D55-L76 HydrophobicContact CB-CD2 4.34Å; D55-L76 CarbonylContact O-C 3.57Å; D55-L76 VanDerWaalsContact O-CA 3.31Å; D55-L76 WeakPolarHBondContact O-CA 3.36Å; M56-L76 HydrophobicContact SD-CD2 4.12Å; L76-S78 WeakPolarHBondContact CB-OG 3.15Å; L76-S78 PolarHBondContact O-N 3.07Å; L76-Q79 WeakPolarHBondContact O-CA 3.45Å; L76-Q79 PolarHBondContact O-N 3.04Å; L76-K80 PolarHBondContact N-O 3.18Å; L76-Y82 HydrophobicContact CD1-CD2 4.28Å; L76-Y82 HydrophobicContact CD1-CE2 3.47Å; L76-Y82 VanDerWaalsContact CD1-CE2 3.47Å; L76-Y82 HydrophobicContact CG-CD2 4.18Å; L76-Y82 HydrophobicContact CG-CE2 3.85Å
77	K	80.2	Confident	69.3	Low	137 Å²	137	68.6 Å²	68.6	60%	0.596	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.5	170	-69	172.3	179.3	169.5	0	112.9	R54 D55 M56 D57 Q79	R54-K77 WeakPolarHBondContact O-CE 3.14Å; R54-K77 PolarHBondContact O-NZ 3.27Å; D55-K77 PolarHBondContact O-N 2.73Å; M56-K77 WeakPolarHBondContact O-CE 3.33Å; D57-K77 HydrophobicContact CB-CG 4.05Å; K77-Q79 PolarHBondContact O-N 3.49Å
78	S	73.3	Confident	69.9	Low	86 Å²	86	71.1 Å²	71.1	60%	0.601	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	4.5	172.6	59.5	0	0	0	0	114.2	L76 K80	L76-S78 WeakPolarHBondContact CB-OG 3.15Å; L76-S78 PolarHBondContact O-N 3.07Å; S78-K80 PolarHBondContact O-N 2.93Å
79	Q	67.3	Low	70	Confident	170 Å²	170	70.4 Å²	70.4	79%	0.794	35%	0.346	S	S	*	.	S	Bend	trans	62.7	14.9	-177	-57.5	-168.5	5.6	0	0	115.9	L76 K77 P81	L76-Q79 WeakPolarHBondContact O-CA 3.45Å; L76-Q79 PolarHBondContact O-N 3.04Å; K77-Q79 PolarHBondContact O-N 3.49Å; Q79-P81 WeakPolarHBondContact O-CD 3.45Å
80	K	67.7	Low	70.3	Confident	121 Å²	121	70.2 Å²	70.2	53%	0.526	35%	0.352	S	S	.	.			trans	-84.2	118.4	171.1	-168.6	174.9	179.2	-178.1	0	110	L76 S78 Y82	L76-K80 PolarHBondContact N-O 3.18Å; S78-K80 PolarHBondContact O-N 2.93Å; K80-Y82 HydrophobicContact CB-CE2 4.23Å; K80-Y82 HydrophobicContact CD-CE2 4.06Å; K80-Y82 HydrophobicContact CG-CE2 3.99Å
81	P	70.1	Confident	70.6	Confident	89 Å²	89	65.9 Å²	65.9	58%	0.578	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	142.4	173.8	33	-33.1	0	0	0	111.3	L74 Q79	L74-P81 CarbonylContact O-C 3.55Å; L74-P81 WeakPolarHBondContact O-CA 3.49Å; Q79-P81 WeakPolarHBondContact O-CD 3.45Å
82	Y	73.9	Confident	70.9	Confident	44 Å²	44	65.8 Å²	65.8	17%	0.173	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.3	172	-69.6	-102.8	0	0	0	109.3	Y49 I51 Y73 L74 L76 K80	Y49-Y82 HydrophobicContact CD1-CD1 4.28Å; Y49-Y82 HydrophobicContact CD1-CE1 4.31Å; Y49-Y82 AromaticContact CD2-CD1 3.59Å; Y49-Y82 HydrophobicContact CD2-CD1 3.59Å; Y49-Y82 AromaticContact CD2-CE1 3.79Å; Y49-Y82 HydrophobicContact CD2-CE1 3.79Å; Y49-Y82 HydrophobicContact CE1-CD1 4.12Å; Y49-Y82 AromaticContact CE2-CD1 3.4Å; Y49-Y82 HydrophobicContact CE2-CD1 3.4Å; Y49-Y82 VanDerWaalsContact CE2-CD1 3.4Å; Y49-Y82 HydrophobicContact CE2-CE1 4.1Å; Y49-Y82 HydrophobicContact CE2-CG 4.19Å; Y49-Y82 HydrophobicContact CG-CD1 4.02Å; Y49-Y82 AromaticContact CG-CE1 3.89Å; Y49-Y82 HydrophobicContact CG-CE1 3.89Å; Y49-Y82 AromaticContact CZ-CD1 3.68Å; I51-Y82 HydrophobicContact CD1-CD1 4.08Å; I51-Y82 HydrophobicContact CD1-CD2 4.04Å; I51-Y82 HydrophobicContact CD1-CE1 4.49Å; I51-Y82 HydrophobicContact CD1-CG 3.81Å; Y73-Y82 WeakPolarHBondContact CA-O 3.45Å; L74-Y82 PolarHBondContact N-O 3.03Å; L74-Y82 PolarHBondContact O-N 3.21Å; L76-Y82 HydrophobicContact CD1-CD2 4.28Å; L76-Y82 HydrophobicContact CD1-CE2 3.47Å; L76-Y82 VanDerWaalsContact CD1-CE2 3.47Å; L76-Y82 HydrophobicContact CG-CD2 4.18Å; L76-Y82 HydrophobicContact CG-CE2 3.85Å; K80-Y82 HydrophobicContact CB-CE2 4.23Å; K80-Y82 HydrophobicContact CD-CE2 4.06Å; K80-Y82 HydrophobicContact CG-CE2 3.99Å
83	G	71	Confident	70.8	Confident	38 Å²	38	68.9 Å²	68.9	39%	0.392	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.5	-169.4	-174.3	0	0	0	0	0	113.6
84	P	68.7	Low	70.1	Confident	62 Å²	62	66.1 Å²	66.1	40%	0.403	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-71.6	132.9	8.9	25.3	-30	0	0	0	113.3	V72 Y73 E86	V72-P84 WeakPolarHBondContact O-CA 3.26Å; Y73-P84 HydrophobicContact CD2-CB 4.46Å; Y73-P84 HydrophobicContact CE1-CB 3.9Å; Y73-P84 HydrophobicContact CE1-CG 4.14Å; Y73-P84 HydrophobicContact CE2-CB 3.78Å; Y73-P84 VanDerWaalsContact CZ-CB 3.47Å; Y73-P84 WeakPolarHBondContact OH-CG 3.34Å; P84-E86 PolarHBondContact O-N 2.89Å
85	F	73.3	Confident	69.8	Low	8 Å²	8	66.1 Å²	66.1	4%	0.035	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	106	166	-56.6	-80.7	0	0	0	109.1	L18 W31 Y49 G71 V72 L74 F87	L18-F85 HydrophobicContact CD1-CD1 4.07Å; L18-F85 HydrophobicContact CD1-CE1 3.75Å; L18-F85 HydrophobicContact CD1-CZ 4.1Å; W31-F85 HydrophobicContact CB-CE1 4.1Å; W31-F85 HydrophobicContact CD2-CD1 4.18Å; W31-F85 AromaticContact CD2-CE1 3.78Å; W31-F85 HydrophobicContact CD2-CE1 3.78Å; W31-F85 AromaticContact CE3-CD1 3.83Å; W31-F85 HydrophobicContact CE3-CD1 3.83Å; W31-F85 AromaticContact CE3-CE1 3.81Å; W31-F85 HydrophobicContact CE3-CE1 3.81Å; W31-F85 AromaticContact CG-CE1 3.93Å; W31-F85 HydrophobicContact CG-CE1 3.93Å; W31-F85 HydrophobicContact CZ3-CD1 4.04Å; W31-F85 HydrophobicContact CZ3-CE1 4.45Å; Y49-F85 HydrophobicContact CE2-CE1 4.23Å; Y49-F85 AromaticContact CE2-CZ 3.75Å; Y49-F85 HydrophobicContact CE2-CZ 3.75Å; Y49-F85 AromaticContact CZ-CE1 3.9Å; Y49-F85 AromaticContact CZ-CZ 3.71Å; Y49-F85 WeakPolarHBondContact OH-CE1 3.38Å; Y49-F85 WeakPolarHBondContact OH-CZ 3.49Å; G71-F85 VanDerWaalsContact CA-O 3.3Å; G71-F85 WeakPolarHBondContact CA-O 3.33Å; V72-F85 PolarHBondContact N-O 2.89Å; V72-F85 WeakPolarHBondContact O-CD2 3.36Å; V72-F85 PolarHBondContact O-N 3.05Å; L74-F85 HydrophobicContact CB-CE2 4.44Å; L74-F85 HydrophobicContact CD1-CD2 4.12Å; L74-F85 HydrophobicContact CD1-CE2 3.39Å; L74-F85 HydrophobicContact CD1-CZ 3.97Å; L74-F85 HydrophobicContact CG-CD2 4.21Å; L74-F85 HydrophobicContact CG-CE2 3.7Å; F85-F87 HydrophobicContact CB-CE1 4.01Å; F85-F87 HydrophobicContact CB-CZ 4.17Å
86	E	68.7	Low	69.8	Low	109 Å²	109	66.2 Å²	66.2	51%	0.509	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	118.6	173.2	-65.5	-170.9	173.9	0	0	110.1	P84	P84-E86 PolarHBondContact O-N 2.89Å
87	F	65.2	Low	69.5	Low	20 Å²	20	72 Å²	72	9%	0.088	38%	0.383	C	S	.	.			trans	-89.1	120.2	-173.8	-55.8	-58.5	0	0	0	111.1	L18 V72 F85 F95 F225	L18-F87 HydrophobicContact CD2-CE1 4.13Å; L18-F87 HydrophobicContact CD2-CZ 4.47Å; V72-F87 HydrophobicContact CB-CE2 3.92Å; V72-F87 HydrophobicContact CB-CZ 4.07Å; V72-F87 HydrophobicContact CG2-CE2 3.51Å; V72-F87 HydrophobicContact CG2-CZ 4.03Å; F85-F87 HydrophobicContact CB-CE1 4.01Å; F85-F87 HydrophobicContact CB-CZ 4.17Å; F87-F95 HydrophobicContact CE1-CG 4.45Å; F87-F95 HydrophobicContact CE2-CB 4.09Å; F87-F95 HydrophobicContact CE2-CD1 4.44Å; F87-F95 HydrophobicContact CE2-CG 4.36Å; F87-F95 HydrophobicContact CZ-CB 3.86Å; F87-F95 AromaticContact CZ-CD1 3.92Å; F87-F95 HydrophobicContact CZ-CD1 3.92Å; F87-F95 HydrophobicContact CZ-CD2 4.3Å; F87-F95 AromaticContact CZ-CG 3.74Å; F87-F95 HydrophobicContact CZ-CG 3.74Å; F87-F225 HydrophobicContact CB-CZ 4.21Å; F87-F225 AromaticContact CD1-CE1 3.55Å; F87-F225 HydrophobicContact CD1-CE1 3.55Å; F87-F225 AromaticContact CD1-CE2 3.87Å; F87-F225 HydrophobicContact CD1-CE2 3.87Å; F87-F225 AromaticContact CD1-CZ 3Å; F87-F225 HydrophobicContact CD1-CZ 3Å; F87-F225 HydrophobicContact CE1-CD1 4.46Å; F87-F225 AromaticContact CE1-CE1 3.44Å; F87-F225 HydrophobicContact CE1-CE1 3.44Å; F87-F225 VanDerWaalsContact CE1-CE1 3.44Å; F87-F225 HydrophobicContact CE1-CE2 4.15Å; F87-F225 AromaticContact CE1-CZ 3.32Å; F87-F225 HydrophobicContact CE1-CZ 3.32Å; F87-F225 HydrophobicContact CG-CE2 4.32Å; F87-F225 AromaticContact CG-CZ 3.8Å; F87-F225 HydrophobicContact CG-CZ 3.8Å; F87-F225 HydrophobicContact CZ-CZ 4.39Å
88	R	56.7	Low	69.1	Low	195 Å²	195	66.2 Å²	66.2	74%	0.736	36%	0.359	S	S	*	.	S	Bend	trans	-75.6	-25.4	173.9	-70.2	-174	178.4	-160.8	-3.4	113.3
89	K	50	Low	69.5	Low	113 Å²	113	62.1 Å²	62.1	49%	0.491	33%	0.33	S	S	.	.	S	Bend	trans	-138.4	153.6	178.1	-70.6	-171.8	176.6	-174.4	0	109.7	G91 G223	K89-G91 PolarHBondContact O-N 3.39Å; K89-G223 CarbonylContact C-O 3.53Å
90	G	56.7	Low	70.3	Confident	43 Å²	43	56.3 Å²	56.3	44%	0.443	31%	0.309	S	S	.	.	S	Bend	trans	72	-36.4	-178.9	0	0	0	0	0	115.6	S94 G223	G90-S94 WeakPolarHBondContact O-CB 3.39Å; G90-G223 WeakPolarHBondContact CA-O 3.47Å; G90-G223 PolarHBondContact N-O 2.91Å
91	G	68.8	Low	70.7	Confident	26 Å²	26	53.6 Å²	53.6	27%	0.268	31%	0.305	S	S	.	.	H	α-helix	trans	69.5	176	-178.1	0	0	0	0	0	113.1	K89 S93 S94 F95	K89-G91 PolarHBondContact O-N 3.39Å; G91-S93 PolarHBondContact O-N 3.38Å; G91-S94 PolarHBondContact O-N 2.63Å; G91-F95 PolarHBondContact O-N 2.89Å
92	S	74	Confident	70.9	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.007	29%	0.285	C	S	.	.	H	α-helix	trans	-67.5	-21.5	-177.1	64.8	0	0	0	0	114.3	R70 L96	R70-S92 WeakPolarHBondContact CB-OG 3.46Å; R70-S92 WeakPolarHBondContact CD-OG 3.38Å; S92-L96 WeakPolarHBondContact O-CG 3.36Å; S92-L96 PolarHBondContact O-N 3.47Å; S92-L96 VanDerWaalsContact O-N 3.12Å
93	S	72.8	Confident	71.2	Confident	66 Å²	66	48.7 Å²	48.7	46%	0.462	28%	0.277	S	S	.	.	H	α-helix	trans	-76.6	-42	179.3	-62.9	0	0	0	0	112.4	G91 L96 Q97	G91-S93 PolarHBondContact O-N 3.38Å; S93-L96 PolarHBondContact O-N 2.83Å; S93-Q97 PolarHBondContact O-N 3.21Å; S93-Q97 VanDerWaalsContact O-N 3.08Å
94	S	68.1	Low	71.7	Confident	26 Å²	26	48.8 Å²	48.8	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-45.3	172.2	170.1	0	0	0	0	110.7	G90 G91 L96 Q97 S98	G90-S94 WeakPolarHBondContact O-CB 3.39Å; G91-S94 PolarHBondContact O-N 2.63Å; S94-L96 VanDerWaalsContact C-N 3.32Å; S94-L96 PolarHBondContact O-N 2.96Å; S94-Q97 WeakPolarHBondContact O-CB 3.12Å; S94-Q97 PolarHBondContact O-N 3.25Å; S94-S98 PolarHBondContact O-N 3.02Å; S94-S98 PolarHBondContact O-OG 2.77Å
95	F	76.3	Confident	72.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57	-43.3	175.6	176.9	-106.4	0	0	0	112.9	L18 L20 I29 L59 V72 F87 G91 Q97 S98 L99 F225	L18-F95 HydrophobicContact CD2-CD2 3.95Å; L18-F95 HydrophobicContact CD2-CE2 3.35Å; L18-F95 HydrophobicContact CD2-CZ 3.67Å; L18-F95 HydrophobicContact CG-CE2 4.44Å; L20-F95 HydrophobicContact CD1-CE2 4.42Å; L20-F95 HydrophobicContact CD2-CE2 4.24Å; L20-F95 HydrophobicContact CG-CE2 4.45Å; I29-F95 HydrophobicContact CD1-CZ 4.19Å; L59-F95 HydrophobicContact CD1-CD1 4.37Å; L59-F95 HydrophobicContact CD1-CE1 3.76Å; V72-F95 HydrophobicContact CG1-CE1 4.37Å; V72-F95 HydrophobicContact CG2-CD1 4.45Å; F87-F95 HydrophobicContact CE1-CG 4.45Å; F87-F95 HydrophobicContact CE2-CB 4.09Å; F87-F95 HydrophobicContact CE2-CD1 4.44Å; F87-F95 HydrophobicContact CE2-CG 4.36Å; F87-F95 HydrophobicContact CZ-CB 3.86Å; F87-F95 AromaticContact CZ-CD1 3.92Å; F87-F95 HydrophobicContact CZ-CD1 3.92Å; F87-F95 HydrophobicContact CZ-CD2 4.3Å; F87-F95 AromaticContact CZ-CG 3.74Å; F87-F95 HydrophobicContact CZ-CG 3.74Å; G91-F95 PolarHBondContact O-N 2.89Å; F95-Q97 VanDerWaalsContact C-N 3.31Å; F95-Q97 PolarHBondContact O-N 3.36Å; F95-S98 PolarHBondContact O-N 3.18Å; F95-L99 HydrophobicContact CE1-CD2 4.26Å; F95-L99 HydrophobicContact CZ-CD2 4.44Å; F95-L99 WeakPolarHBondContact O-CB 3.45Å; F95-L99 PolarHBondContact O-N 2.99Å; F95-F225 HydrophobicContact CD2-CD1 4.38Å; F95-F225 HydrophobicContact CD2-CG 4.38Å
96	L	80.7	Confident	73	Confident	19 Å²	19	53 Å²	53	10%	0.099	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-34.9	175.8	-83.8	-176.5	0	0	0	113.1	L59 I61 S92 S93 S94 S100 V105 Y115	L59-L96 HydrophobicContact CD1-CD2 4.02Å; L59-L96 HydrophobicContact CD2-CD2 3.99Å; I61-L96 HydrophobicContact CD1-CD1 3.35Å; I61-L96 HydrophobicContact CD1-CG 4.1Å; I61-L96 HydrophobicContact CG1-CD1 4.48Å; S92-L96 WeakPolarHBondContact O-CG 3.36Å; S92-L96 PolarHBondContact O-N 3.47Å; S92-L96 VanDerWaalsContact O-N 3.12Å; S93-L96 PolarHBondContact O-N 2.83Å; S94-L96 VanDerWaalsContact C-N 3.32Å; S94-L96 PolarHBondContact O-N 2.96Å; L96-S100 VanDerWaalsContact O-CB 3.28Å; L96-S100 WeakPolarHBondContact O-CB 3.23Å; L96-S100 PolarHBondContact O-N 3.29Å; L96-S100 PolarHBondContact O-OG 3.33Å; L96-V105 HydrophobicContact CD2-CG1 4.14Å; L96-Y115 HydrophobicContact CD1-CD1 4.23Å; L96-Y115 HydrophobicContact CD1-CD2 4.08Å; L96-Y115 HydrophobicContact CD1-CE1 3.81Å; L96-Y115 HydrophobicContact CD1-CE2 3.68Å; L96-Y115 HydrophobicContact CD1-CG 4.36Å; L96-Y115 HydrophobicContact CD2-CD1 4.38Å; L96-Y115 HydrophobicContact CD2-CD2 4.43Å; L96-Y115 HydrophobicContact CD2-CG 4.22Å
97	Q	76.9	Confident	73.8	Confident	140 Å²	140	53.7 Å²	53.7	65%	0.654	28%	0.277	S	S	*	.	H	α-helix	trans	-68.5	-44.1	177.4	-173.4	176.7	5.3	0	0	111.4	S93 S94 F95 L99 S100 S101	S93-Q97 PolarHBondContact O-N 3.21Å; S93-Q97 VanDerWaalsContact O-N 3.08Å; S94-Q97 WeakPolarHBondContact O-CB 3.12Å; S94-Q97 PolarHBondContact O-N 3.25Å; F95-Q97 VanDerWaalsContact C-N 3.31Å; F95-Q97 PolarHBondContact O-N 3.36Å; Q97-L99 VanDerWaalsContact C-N 3.32Å; Q97-L99 PolarHBondContact O-N 3.48Å; Q97-S100 PolarHBondContact O-N 3.49Å; Q97-S100 PolarHBondContact O-OG 2.98Å; Q97-S101 PolarHBondContact O-N 2.99Å; Q97-S101 VanDerWaalsContact O-N 3.16Å
98	S	71	Confident	74.6	Confident	14 Å²	14	53.9 Å²	53.9	10%	0.098	28%	0.281	C	S	.	.	H	α-helix	trans	-68.7	-32.6	175.3	-47.3	0	0	0	0	111.8	S94 F95 S101	S94-S98 PolarHBondContact O-N 3.02Å; S94-S98 PolarHBondContact O-OG 2.77Å; F95-S98 PolarHBondContact O-N 3.18Å; S98-S101 PolarHBondContact O-OG 3.21Å
99	L	81.7	Confident	75.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-71.4	-36.6	174	-172.7	63.7	0	0	0	112.1	L20 I29 I53 L59 F95 Q97 S101 L102 A103 V105 I117	L20-L99 HydrophobicContact CD1-CB 4.41Å; L20-L99 HydrophobicContact CD1-CD1 4.29Å; L20-L99 HydrophobicContact CD2-CD1 3.98Å; I29-L99 HydrophobicContact CD1-CD1 4.12Å; I53-L99 HydrophobicContact CD1-CD1 3.69Å; L59-L99 HydrophobicContact CD1-CD2 4.11Å; F95-L99 HydrophobicContact CE1-CD2 4.26Å; F95-L99 HydrophobicContact CZ-CD2 4.44Å; F95-L99 WeakPolarHBondContact O-CB 3.45Å; F95-L99 PolarHBondContact O-N 2.99Å; Q97-L99 VanDerWaalsContact C-N 3.32Å; Q97-L99 PolarHBondContact O-N 3.48Å; L99-S101 VanDerWaalsContact C-N 3.29Å; L99-S101 PolarHBondContact O-N 3.06Å; L99-L102 PolarHBondContact O-N 3.03Å; L99-A103 PolarHBondContact O-N 2.81Å; L99-V105 HydrophobicContact CB-CG2 4.41Å; L99-V105 HydrophobicContact CD2-CG2 4.17Å; L99-V105 HydrophobicContact CG-CG2 3.87Å; L99-I117 HydrophobicContact CD2-CD1 3.67Å; L99-I117 HydrophobicContact CD2-CG1 4.16Å
100	S	83.7	Confident	76.8	Confident	49 Å²	49	54.8 Å²	54.8	34%	0.343	30%	0.3	S	S	.	.	H	α-helix	trans	-72.8	-20.4	179.3	70.8	0	0	0	0	113.3	L96 Q97 L102 A103 R120	L96-S100 VanDerWaalsContact O-CB 3.28Å; L96-S100 WeakPolarHBondContact O-CB 3.23Å; L96-S100 PolarHBondContact O-N 3.29Å; L96-S100 PolarHBondContact O-OG 3.33Å; Q97-S100 PolarHBondContact O-N 3.49Å; Q97-S100 PolarHBondContact O-OG 2.98Å; S100-L102 VanDerWaalsContact C-N 3.33Å; S100-A103 CarbonylContact C-O 3.51Å; S100-R120 PolarHBondContact O-NH2 3.37Å
101	S	76.2	Confident	77.8	Confident	64 Å²	64	55.8 Å²	55.8	45%	0.448	30%	0.295	S	S	.	.	H	α-helix	trans	-72	-26.6	170.7	70.9	0	0	0	0	112.6	Q97 S98 L99 R120	Q97-S101 PolarHBondContact O-N 2.99Å; Q97-S101 VanDerWaalsContact O-N 3.16Å; S98-S101 PolarHBondContact O-OG 3.21Å; L99-S101 VanDerWaalsContact C-N 3.29Å; L99-S101 PolarHBondContact O-N 3.06Å; S101-R120 PolarHBondContact O-NH1 2.92Å; S101-R120 VanDerWaalsContact O-NH1 3.08Å; S101-R120 PolarHBondContact O-NH2 2.78Å
102	L	73.6	Confident	78.2	Confident	29 Å²	29	61 Å²	61	15%	0.152	31%	0.313	C	S	.	.	H	α-helix	trans	-103.6	-25	-177.3	-59.8	176.7	0	0	0	114	L20 D22 V27 L99 S100 V227	L20-L102 HydrophobicContact CB-CD1 3.85Å; L20-L102 HydrophobicContact CD1-CD1 4.08Å; D22-L102 HydrophobicContact CB-CD2 4.18Å; V27-L102 HydrophobicContact CG1-CB 4.1Å; V27-L102 HydrophobicContact CG1-CD1 4.43Å; L99-L102 PolarHBondContact O-N 3.03Å; S100-L102 VanDerWaalsContact C-N 3.33Å; L102-V227 HydrophobicContact CD1-CG1 4.33Å; L102-V227 HydrophobicContact CD1-CG2 4.48Å
103	A	80.4	Confident	78.4	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.008	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	163.5	-176.6	0	0	0	0	0	112.1	I53 L99 S100 V105 I117	I53-A103 HydrophobicContact CD1-CB 3.76Å; I53-A103 HydrophobicContact CG2-CB 4.25Å; L99-A103 PolarHBondContact O-N 2.81Å; S100-A103 CarbonylContact C-O 3.51Å; A103-V105 HydrophobicContact CB-CG2 4.34Å; A103-V105 PolarHBondContact O-N 3.35Å; A103-I117 HydrophobicContact CB-CG2 4.05Å
104	D	82.3	Confident	79	Confident	39 Å²	39	64.6 Å²	64.6	21%	0.209	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	104	169.3	-179.1	12.6	0	0	0	108.3	R106 R118 R120	D104-R106 WeakPolarHBondContact OD1-CG 3.24Å; D104-R106 IonicContact OD1-NE 3.86Å; D104-R106 PolarHBondContact OD1-NE 2.84Å; D104-R106 VanDerWaalsContact OD1-NE 3.14Å; D104-R106 IonicContact OD1-NH2 3.97Å; D104-R106 IonicContact OD2-CZ 3.23Å; D104-R106 VanDerWaalsContact OD2-CZ 3.24Å; D104-R106 IonicContact OD2-NE 3.42Å; D104-R106 PolarHBondContact OD2-NE 2.56Å; D104-R106 IonicContact OD2-NH2 2.96Å; D104-R106 PolarHBondContact OD2-NH2 2.82Å; D104-R118 HydrophobicContact CB-CB 4.35Å; D104-R118 PolarHBondContact N-O 3.07Å; D104-R118 PolarHBondContact O-N 2.92Å; D104-R120 HydrophobicContact CB-CG 4.44Å
105	V	85.4	Confident	79.8	Confident	30 Å²	30	65.4 Å²	65.4	18%	0.182	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.9	-178.3	-177.4	0	0	0	0	108.8	L96 L99 A103 Y115 I117	L96-V105 HydrophobicContact CD2-CG1 4.14Å; L99-V105 HydrophobicContact CB-CG2 4.41Å; L99-V105 HydrophobicContact CD2-CG2 4.17Å; L99-V105 HydrophobicContact CG-CG2 3.87Å; A103-V105 HydrophobicContact CB-CG2 4.34Å; A103-V105 PolarHBondContact O-N 3.35Å; V105-Y115 HydrophobicContact CG1-CD1 3.96Å; V105-Y115 HydrophobicContact CG1-CG 4.4Å; V105-I117 HydrophobicContact CG2-CG2 4.47Å
106	R	84	Confident	80.3	Confident	129 Å²	129	67.9 Å²	67.9	49%	0.487	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.9	-178.4	-59.2	-171.3	-170.1	-170	3.1	111.3	D104 Y115 I116	D104-R106 WeakPolarHBondContact OD1-CG 3.24Å; D104-R106 IonicContact OD1-NE 3.86Å; D104-R106 PolarHBondContact OD1-NE 2.84Å; D104-R106 VanDerWaalsContact OD1-NE 3.14Å; D104-R106 IonicContact OD1-NH2 3.97Å; D104-R106 IonicContact OD2-CZ 3.23Å; D104-R106 VanDerWaalsContact OD2-CZ 3.24Å; D104-R106 IonicContact OD2-NE 3.42Å; D104-R106 PolarHBondContact OD2-NE 2.56Å; D104-R106 IonicContact OD2-NH2 2.96Å; D104-R106 PolarHBondContact OD2-NH2 2.82Å; R106-Y115 CarbonylContact O-C 3.54Å; R106-Y115 WeakPolarHBondContact O-CA 3.3Å; R106-I116 PolarHBondContact N-O 2.88Å; R106-I116 PolarHBondContact O-N 3.25Å
107	R	85	Confident	80.4	Confident	124 Å²	124	67.2 Å²	67.2	47%	0.468	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	133.8	173	-161.3	173.2	-174.7	-163	-3.9	110.1	E112 Y115	R107-E112 VanDerWaalsContact CZ-O 3.24Å; R107-E112 IonicContact CZ-OE2 2.7Å; R107-E112 PolarHBondContact NE-O 2.96Å; R107-E112 PolarHBondContact NH2-O 3.15Å; R107-E112 IonicContact NH2-OE2 3.11Å; R107-E112 PolarHBondContact NH2-OE2 3.28Å; R107-Y115 HydrophobicContact CB-CD1 4.07Å; R107-Y115 HydrophobicContact CB-CE1 3.84Å; R107-Y115 HydrophobicContact CG-CD1 4.31Å; R107-Y115 HydrophobicContact CG-CE1 3.85Å
108	C	82.6	Confident	80.6	Confident	24 Å²	24	66.5 Å²	66.5	16%	0.162	32%	0.32	C	S	.	.			trans	-69.9	144.4	177.4	-165.4	0	0	0	0	110.4	R114	C108-R114 HydrophobicContact CB-CB 4.06Å; C108-R114 HydrophobicContact CB-CG 4.38Å; C108-R114 VanDerWaalsContact CB-O 3.28Å; C108-R114 WeakPolarHBondContact CB-O 3.14Å; C108-R114 PolarHBondContact N-O 3.26Å
109	H	76.3	Confident	80.7	Confident	166 Å²	166	69 Å²	69	77%	0.769	34%	0.336	S	S	*	.	S	Bend	trans	-73.7	-29.6	177.2	-74.4	-62.4	0	0	0	112.9
110	D	76.3	Confident	80.2	Confident	160 Å²	160	75.7 Å²	75.7	86%	0.856	36%	0.361	S	S	*	.	S	Bend	trans	-90.3	-20.1	-172.8	-57.7	-30.8	0	0	0	113.7
111	D	78.8	Confident	78.8	Confident	64 Å²	64	76.5 Å²	76.5	34%	0.342	37%	0.365	S	S	.	.			trans	-142.7	111.9	178.8	-177.4	-5.1	0	0	0	109.8	N113 R114	D111-N113 PolarHBondContact O-N 3.22Å; D111-N113 WeakPolarHBondContact OD1-CB 3.43Å; D111-N113 PolarHBondContact OD1-N 3.15Å; D111-R114 HydrophobicContact CB-CB 3.85Å; D111-R114 PolarHBondContact O-N 3.23Å
112	E	75.6	Confident	77.4	Confident	137 Å²	137	80.5 Å²	80.5	64%	0.64	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-20.7	179.1	-89.6	-157.9	-148.2	0	0	114.3	R107	R107-E112 VanDerWaalsContact CZ-O 3.24Å; R107-E112 IonicContact CZ-OE2 2.7Å; R107-E112 PolarHBondContact NE-O 2.96Å; R107-E112 PolarHBondContact NH2-O 3.15Å; R107-E112 IonicContact NH2-OE2 3.11Å; R107-E112 PolarHBondContact NH2-OE2 3.28Å
113	N	79.9	Confident	75.5	Confident	57 Å²	57	87.5 Å²	87.5	31%	0.305	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-2.3	-178.8	-68.2	-43.9	0	0	0	113.2	V60 I61 D111	V60-N113 CarbonylContact C-O 3.55Å; V60-N113 WeakPolarHBondContact CA-O 3.43Å; I61-N113 PolarHBondContact N-O 3.26Å; I61-N113 VanDerWaalsContact O-CB 3.26Å; I61-N113 WeakPolarHBondContact O-CB 3.36Å; D111-N113 PolarHBondContact O-N 3.22Å; D111-N113 WeakPolarHBondContact OD1-CB 3.43Å; D111-N113 PolarHBondContact OD1-N 3.15Å
114	R	83.8	Confident	72.9	Confident	84 Å²	84	94.8 Å²	94.8	32%	0.317	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.4	-176.2	-169.3	173.5	-178.4	-165.6	-1.7	110.9	F58 L59 V60 C108 D111	F58-R114 HydrophobicContact CB-CG 4.03Å; F58-R114 HydrophobicContact CD2-CG 3.98Å; F58-R114 HydrophobicContact CG-CG 4.24Å; L59-R114 CarbonylContact O-C 3.48Å; L59-R114 WeakPolarHBondContact O-CA 3.47Å; V60-R114 HydrophobicContact CG2-CG 4.3Å; C108-R114 HydrophobicContact CB-CB 4.06Å; C108-R114 HydrophobicContact CB-CG 4.38Å; C108-R114 VanDerWaalsContact CB-O 3.28Å; C108-R114 WeakPolarHBondContact CB-O 3.14Å; C108-R114 PolarHBondContact N-O 3.26Å; D111-R114 HydrophobicContact CB-CB 3.85Å; D111-R114 PolarHBondContact O-N 3.23Å
115	Y	86.3	Confident	70.2	Confident	43 Å²	43	101.6 Å²	101.6	17%	0.169	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.9	178.7	-66.1	-98.6	0	0	0	109.5	F58 L59 I61 L96 V105 R106 R107	F58-Y115 CarbonylContact C-O 3.42Å; F58-Y115 VanDerWaalsContact CA-O 3.24Å; F58-Y115 WeakPolarHBondContact CA-O 3.44Å; F58-Y115 WeakPolarHBondContact CB-O 3.31Å; L59-Y115 HydrophobicContact CD2-CD2 4.06Å; L59-Y115 PolarHBondContact N-O 2.77Å; L59-Y115 PolarHBondContact O-N 3Å; I61-Y115 HydrophobicContact CD1-CD2 4.48Å; I61-Y115 HydrophobicContact CD1-CE2 3.86Å; I61-Y115 HydrophobicContact CG1-CE2 4.25Å; L96-Y115 HydrophobicContact CD1-CD1 4.23Å; L96-Y115 HydrophobicContact CD1-CD2 4.08Å; L96-Y115 HydrophobicContact CD1-CE1 3.81Å; L96-Y115 HydrophobicContact CD1-CE2 3.68Å; L96-Y115 HydrophobicContact CD1-CG 4.36Å; L96-Y115 HydrophobicContact CD2-CD1 4.38Å; L96-Y115 HydrophobicContact CD2-CD2 4.43Å; L96-Y115 HydrophobicContact CD2-CG 4.22Å; V105-Y115 HydrophobicContact CG1-CD1 3.96Å; V105-Y115 HydrophobicContact CG1-CG 4.4Å; R106-Y115 CarbonylContact O-C 3.54Å; R106-Y115 WeakPolarHBondContact O-CA 3.3Å; R107-Y115 HydrophobicContact CB-CD1 4.07Å; R107-Y115 HydrophobicContact CB-CE1 3.84Å; R107-Y115 HydrophobicContact CG-CD1 4.31Å; R107-Y115 HydrophobicContact CG-CE1 3.85Å
116	I	85.6	Confident	67.3	Low	53 Å²	53	104.4 Å²	104.4	27%	0.272	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.3	171.8	-58.8	172.4	0	0	0	106.9	R106 R118	R106-I116 PolarHBondContact N-O 2.88Å; R106-I116 PolarHBondContact O-N 3.25Å; I116-R118 HydrophobicContact CG2-CG 4.26Å
117	I	83.9	Confident	64.5	Low	5 Å²	5	103.3 Å²	103.3	3%	0.026	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130	178.1	-55.2	164.1	0	0	0	107.6	I53 M56 L59 L99 A103 V105	I53-I117 HydrophobicContact CG2-CG2 3.68Å; M56-I117 HydrophobicContact CB-CB 4.48Å; L59-I117 HydrophobicContact CB-CD1 3.62Å; L59-I117 HydrophobicContact CB-CG1 4.3Å; L59-I117 HydrophobicContact CD1-CD1 4.03Å; L59-I117 HydrophobicContact CG-CD1 4.49Å; L99-I117 HydrophobicContact CD2-CD1 3.67Å; L99-I117 HydrophobicContact CD2-CG1 4.16Å; A103-I117 HydrophobicContact CB-CG2 4.05Å; V105-I117 HydrophobicContact CG2-CG2 4.47Å
118	R	80.7	Confident	61.6	Low	124 Å²	124	104.4 Å²	104.4	47%	0.468	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.3	172.8	-65.2	-178.1	-177.8	152.6	0.3	110	D104 I116 R120	D104-R118 HydrophobicContact CB-CB 4.35Å; D104-R118 PolarHBondContact N-O 3.07Å; D104-R118 PolarHBondContact O-N 2.92Å; I116-R118 HydrophobicContact CG2-CG 4.26Å; R118-R120 PolarHBondContact O-N 2.78Å
119	P	73.1	Confident	59	Low	68 Å²	68	114.5 Å²	114.5	44%	0.442	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-58.1	138.1	167.2	26.3	-33.4	0	0	0	108.9	R54	R54-P119 HydrophobicContact CG-CB 4.38Å; R54-P119 HydrophobicContact CG-CG 4.21Å
120	R	71.1	Confident	56.5	Low	139 Å²	139	114.2 Å²	114.2	53%	0.525	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-62.3	131.2	172.6	-77	-177.7	-179.8	-174.7	0.1	108.3	S100 S101 D104 R118 Q122	S100-R120 PolarHBondContact O-NH2 3.37Å; S101-R120 PolarHBondContact O-NH1 2.92Å; S101-R120 VanDerWaalsContact O-NH1 3.08Å; S101-R120 PolarHBondContact O-NH2 2.78Å; D104-R120 HydrophobicContact CB-CG 4.44Å; R118-R120 PolarHBondContact O-N 2.78Å; R120-Q122 PolarHBondContact O-N 3.14Å
121	P	54.4	Low	54.2	Low	66 Å²	66	114.6 Å²	114.6	43%	0.429	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-58.2	133.9	167.2	-18.7	31.1	0	0	0	108.3	Y123	P121-Y123 HydrophobicContact CB-CD1 4.42Å; P121-Y123 HydrophobicContact CB-CD2 3.87Å; P121-Y123 HydrophobicContact CB-CE1 4.21Å; P121-Y123 HydrophobicContact CB-CE2 3.65Å; P121-Y123 HydrophobicContact CB-CG 4.27Å; P121-Y123 HydrophobicContact CG-CD2 4.26Å; P121-Y123 HydrophobicContact CG-CE1 4.39Å; P121-Y123 HydrophobicContact CG-CE2 3.53Å; P121-Y123 VanDerWaalsContact O-CD2 3.28Å; P121-Y123 WeakPolarHBondContact O-CD2 3.34Å; P121-Y123 PolarHBondContact O-N 3.05Å
122	Q	45.7	Very low	51.7	Low	148 Å²	148	117.2 Å²	117.2	69%	0.692	58%	0.58	S	S	*	*			trans	-64.7	90.7	161.2	-73.3	178.9	-13.2	0	0	106.2	R120 N124	R120-Q122 PolarHBondContact O-N 3.14Å; Q122-N124 PolarHBondContact O-N 3.32Å; Q122-N124 VanDerWaalsContact O-N 3.07Å
123	Y	35	Very low	49.5	Very low	177 Å²	177	118.4 Å²	118.4	69%	0.694	59%	0.591	S	S	*	*			trans	-74.4	102.3	179.5	-78.1	-77.2	0	0	0	108.2	P121 F125	P121-Y123 HydrophobicContact CB-CD1 4.42Å; P121-Y123 HydrophobicContact CB-CD2 3.87Å; P121-Y123 HydrophobicContact CB-CE1 4.21Å; P121-Y123 HydrophobicContact CB-CE2 3.65Å; P121-Y123 HydrophobicContact CB-CG 4.27Å; P121-Y123 HydrophobicContact CG-CD2 4.26Å; P121-Y123 HydrophobicContact CG-CE1 4.39Å; P121-Y123 HydrophobicContact CG-CE2 3.53Å; P121-Y123 VanDerWaalsContact O-CD2 3.28Å; P121-Y123 WeakPolarHBondContact O-CD2 3.34Å; P121-Y123 PolarHBondContact O-N 3.05Å; Y123-F125 PolarHBondContact O-N 3.01Å
124	N	26.1	Very low	47	Very low	153 Å²	153	120.8 Å²	120.8	82%	0.818	61%	0.609	S	S	*	*			trans	-51.6	120.7	147.6	-77.3	-21.5	0	0	0	106.9	Q122 A126	Q122-N124 PolarHBondContact O-N 3.32Å; Q122-N124 VanDerWaalsContact O-N 3.07Å; N124-A126 PolarHBondContact O-N 3.33Å
125	F	25.4	Very low	44.1	Very low	182 Å²	182	126.5 Å²	126.5	80%	0.798	64%	0.637	S	S	*	*			trans	-44.8	106.4	-178.5	-92.2	-95.9	0	0	0	111.4	Y123	Y123-F125 PolarHBondContact O-N 3.01Å
126	A	24	Very low	41.4	Very low	90 Å²	90	131.4 Å²	131.4	74%	0.744	67%	0.671	S	S	*	*			trans	-120.2	94.4	158.9	0	0	0	0	0	106.7	N124 N128	N124-A126 PolarHBondContact O-N 3.33Å; A126-N128 PolarHBondContact O-N 3.35Å
127	S	26	Very low	38.5	Very low	105 Å²	105	137.2 Å²	137.2	73%	0.734	70%	0.697	S	S	*	*			trans	-48	122.5	168.9	164.6	0	0	0	0	110.6
128	N	23.1	Very low	35.8	Very low	147 Å²	147	144.7 Å²	144.7	79%	0.786	74%	0.737	S	S	*	*			trans	-158.6	92.5	154.4	-89.4	-29.3	0	0	0	109.4	A126	A126-N128 PolarHBondContact O-N 3.35Å
129	Y	27.4	Very low	33.1	Very low	236 Å²	236	147.8 Å²	147.8	93%	0.925	75%	0.754	S	S	*	*			trans	-125.6	110	160	-77	-76.9	0	0	0	108.6
130	H	24.3	Very low	30.7	Very low	161 Å²	161	155.5 Å²	155.5	75%	0.745	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-89.9	133.1	164.4	-96.1	-52.8	0	0	0	109.2
131	L	27.8	Very low	28.4	Very low	167 Å²	167	156.7 Å²	156.7	87%	0.874	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-87.7	140.6	165.4	-78.3	155.4	0	0	0	109.6
132	P	26.6	Very low	26.9	Very low	119 Å²	119	164.1 Å²	164.1	77%	0.773	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-91.1	137	171.1	32.6	-28.2	0	0	0	112.3
133	D	28.8	Very low	25.8	Very low	163 Å²	163	162 Å²	162	87%	0.872	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-71	149.3	177	-111.6	-31.4	0	0	0	113.4
134	P	27.5	Very low	25.1	Very low	106 Å²	106	159 Å²	159	69%	0.688	82%	0.817	S	S	*	*			trans	-98.8	98.1	-177.8	36	-28	0	0	0	112.3
135	F	23.6	Very low	25.1	Very low	205 Å²	205	156.8 Å²	156.8	90%	0.899	82%	0.821	S	S	*	*			trans	-155.7	107.5	155.7	-93.1	-81	0	0	0	109.5
136	V	29	Very low	24.9	Very low	145 Å²	145	159.3 Å²	159.3	88%	0.879	83%	0.825	S	S	*	*			trans	-164.1	124.9	135.3	165.9	0	0	0	0	109.3
137	Q	25	Very low	25	Very low	176 Å²	176	162.3 Å²	162.3	82%	0.822	83%	0.834	S	S	*	*			trans	-60.3	130.4	164.6	-64.8	166.7	-12.8	0	0	110.9
138	N	27.4	Very low	24.8	Very low	162 Å²	162	161 Å²	161	87%	0.866	84%	0.836	S	S	*	*				-167.2	131.1	127.3	-104.2	-33.1	0	0	0	114.7
139	K	23.3	Very low	24.8	Very low	189 Å²	189	157.7 Å²	157.7	82%	0.822	84%	0.837	S	S	*	*			trans	-61.8	145.7	165.2	-66.5	169.3	174.2	174.6	0	110.1
140	R	23.9	Very low	24.5	Very low	230 Å²	230	151.6 Å²	151.6	87%	0.868	84%	0.836	S	S	*	*				178.6	118.1	120.2	-93.9	171.8	-172	-170.5	4.2	111.7
141	H	22.3	Very low	24.4	Very low	163 Å²	163	147.3 Å²	147.3	76%	0.755	83%	0.834	S	S	*	*			trans	37.1	117	143.5	-57.6	-68.1	0	0	0	120.1
142	F	23.5	Very low	24.2	Very low	223 Å²	223	148 Å²	148	98%	0.978	84%	0.838	S	S	*	*				-149.1	129	114.3	-98.2	-77.6	0	0	0	109.7
143	S	21.5	Very low	24	Very low	103 Å²	103	149.5 Å²	149.5	72%	0.72	85%	0.845	S	S	*	*			trans	-111.4	135.3	-179.5	54.9	0	0	0	0	111
144	S	21.6	Very low	23.8	Very low	113 Å²	113	144.9 Å²	144.9	79%	0.79	84%	0.835	S	S	*	*			trans	68.8	119.2	142.3	-177.1	0	0	0	0	120.5
145	A	25.2	Very low	23.7	Very low	108 Å²	108	145.5 Å²	145.5	89%	0.893	84%	0.842	S	S	*	*				-141	118.1	125.6	0	0	0	0	0	110.5
146	R	20.5	Very low	23.9	Very low	235 Å²	235	141.6 Å²	141.6	89%	0.887	84%	0.837	S	S	*	*			trans	-92	135.2	170.5	-124.3	179.9	-177.6	178	0.2	107.9
147	V	26.6	Very low	23.7	Very low	153 Å²	153	140.9 Å²	140.9	93%	0.927	82%	0.823	S	S	*	*			trans	-141	124.8	144.5	-179.8	0	0	0	0	106.9
148	G	22.9	Very low	23.7	Very low	76 Å²	76	137.9 Å²	137.9	78%	0.784	82%	0.821	S	S	*	*			trans	-104.9	-171.2	-173.7	0	0	0	0	0	114.4
149	G	21.6	Very low	23.7	Very low	78 Å²	78	133.7 Å²	133.7	80%	0.804	82%	0.816	S	S	*	*			trans	138.2	91.1	157.1	0	0	0	0	0	116.1
150	A	22.2	Very low	23.7	Very low	109 Å²	109	133.6 Å²	133.6	90%	0.901	82%	0.819	S	S	*	*			trans	67.7	119.7	142.1	0	0	0	0	0	121.9
151	G	21.3	Very low	23.8	Very low	70 Å²	70	130.9 Å²	130.9	72%	0.722	82%	0.82	S	S	*	*			trans	102.2	99.3	131.9	0	0	0	0	0	117
152	L	24.9	Very low	23.9	Very low	181 Å²	181	126 Å²	126	95%	0.948	81%	0.814	S	S	*	*				168.3	142.3	118.6	-87.3	163	0	0	0	110.8
153	V	22.2	Very low	23.9	Very low	152 Å²	152	119.2 Å²	119.2	92%	0.921	80%	0.799	S	S	*	*			trans	-72.5	130.2	176.3	175	0	0	0	0	109
154	G	23.2	Very low	23.9	Very low	65 Å²	65	119.2 Å²	119.2	67%	0.67	80%	0.799	S	S	*	*			trans	162.8	117.9	169.9	0	0	0	0	0	114.3
155	S	25.6	Very low	24.1	Very low	119 Å²	119	119.5 Å²	119.5	83%	0.832	79%	0.792	S	S	*	*			trans	-52.1	145.1	162.2	167.3	0	0	0	0	111.3
156	P	28.7	Very low	24.1	Very low	123 Å²	123	124.6 Å²	124.6	80%	0.799	79%	0.788	S	S	*	*				-147.1	133.2	124.3	32.1	-13.6	0	0	0	114.7
157	F	24	Very low	24.2	Very low	131 Å²	131	120 Å²	120	58%	0.575	78%	0.781	S	S	*	*			trans	-119.5	146	152	-146.7	-93.1	0	0	0	107.7	L596	F157-L596 HydrophobicContact CD1-CD2 3.83Å; F157-L596 HydrophobicContact CD2-CD2 4.06Å; F157-L596 HydrophobicContact CE1-CD1 4.23Å; F157-L596 HydrophobicContact CE1-CD2 3.25Å; F157-L596 HydrophobicContact CE1-CG 4.27Å; F157-L596 HydrophobicContact CE2-CD1 3.66Å; F157-L596 HydrophobicContact CE2-CD2 3.5Å; F157-L596 VanDerWaalsContact CE2-CD2 3.5Å; F157-L596 HydrophobicContact CE2-CG 4.17Å; F157-L596 HydrophobicContact CG-CD2 4.25Å; F157-L596 HydrophobicContact CZ-CD1 3.29Å; F157-L596 HydrophobicContact CZ-CD2 3.09Å; F157-L596 HydrophobicContact CZ-CG 3.75Å
158	S	25.9	Very low	24.2	Very low	113 Å²	113	119.9 Å²	119.9	79%	0.79	77%	0.773	S	S	*	*			trans	83.8	107	171.5	-49.2	0	0	0	0	118
159	G	25.9	Very low	24.3	Very low	73 Å²	73	120.3 Å²	120.3	75%	0.753	78%	0.777	S	S	*	*			trans	-172.7	99.3	165.5	0	0	0	0	0	112.3
160	Q	25.3	Very low	24.6	Very low	187 Å²	187	122.7 Å²	122.7	87%	0.874	77%	0.77	S	S	*	*			trans	164.7	104.6	135.5	-97.2	176.5	-6.9	0	0	109.3
161	L	24.7	Very low	25.2	Very low	173 Å²	173	123.7 Å²	123.7	91%	0.906	76%	0.756	S	S	*	*	S	Bend	trans	-174	124.1	143.7	-99.6	150.1	0	0	0	109.1
162	G	24.9	Very low	25.7	Very low	60 Å²	60	123.2 Å²	123.2	62%	0.619	74%	0.739	S	S	*	*	S	Bend	trans	89.5	82.5	162.4	0	0	0	0	0	116.9
163	A	23.8	Very low	26.1	Very low	81 Å²	81	117.7 Å²	117.7	67%	0.669	71%	0.71	S	S	*	*			trans	166.8	92.5	132.7	0	0	0	0	0	112.4
164	S	21.8	Very low	26.7	Very low	104 Å²	104	113.3 Å²	113.3	73%	0.727	69%	0.686	S	S	*	*			trans	-159.3	114.8	138.6	-166.8	0	0	0	0	108
165	L	24.9	Very low	27.3	Very low	119 Å²	119	111.9 Å²	111.9	62%	0.623	66%	0.663	S	S	*	*			trans	157	65.3	151.6	-80	166.7	0	0	0	110.5
166	R	25.1	Very low	27.7	Very low	215 Å²	215	106.7 Å²	106.7	81%	0.811	63%	0.627	S	S	*	*	S	Bend	trans	-91.9	85.2	146.1	-69.9	-171.8	-156.3	-154.6	4.7	106.7
167	N	23.8	Very low	28	Very low	139 Å²	139	103 Å²	103	74%	0.743	60%	0.604	S	S	*	*	S	Bend	trans	165.6	125.9	156.7	-84.8	-20.7	0	0	0	107
168	I	24.8	Very low	28.7	Very low	150 Å²	150	100.1 Å²	100.1	77%	0.769	60%	0.597	S	S	*	*			trans	89.6	51.5	-163.8	-44.7	155.2	0	0	0	113.2	I170	I168-I170 HydrophobicContact CG2-CG1 4.43Å; I168-I170 PolarHBondContact O-N 3.44Å
169	G	25.1	Very low	29.3	Very low	84 Å²	84	97 Å²	97	87%	0.866	57%	0.571	S	S	*	*			trans	-85.1	68.2	150.3	0	0	0	0	0	109.5	H171	G169-H171 PolarHBondContact O-N 3.45Å
170	I	27.7	Very low	29.6	Very low	129 Å²	129	97.1 Å²	97.1	66%	0.662	55%	0.554	S	S	*	*			trans	-81.5	110.6	158.6	-64.1	177.5	0	0	0	104.8	I168 V172	I168-I170 HydrophobicContact CG2-CG1 4.43Å; I168-I170 PolarHBondContact O-N 3.44Å; I170-V172 PolarHBondContact O-N 2.97Å
171	H	36.1	Very low	30.1	Very low	130 Å²	130	90.6 Å²	90.6	60%	0.602	53%	0.529	S	S	*	.			trans	-33.1	105	-175.6	-117.4	-65.8	0	0	0	113.3	G169 N173 S174 I175	G169-H171 PolarHBondContact O-N 3.45Å; H171-N173 PolarHBondContact O-N 3.32Å; H171-S174 WeakPolarHBondContact O-CA 3.36Å; H171-S174 VanDerWaalsContact O-CB 3.26Å; H171-S174 WeakPolarHBondContact O-CB 3.24Å; H171-S174 PolarHBondContact O-N 3.39Å; H171-I175 PolarHBondContact O-N 2.77Å
172	V	31.7	Very low	30.2	Very low	60 Å²	60	87.6 Å²	87.6	36%	0.364	52%	0.52	S	S	.	.	H	α-helix	trans	-60.8	-32.6	170.1	-177	0	0	0	0	110	I170 S174 I175 V176 T218	I170-V172 PolarHBondContact O-N 2.97Å; V172-S174 PolarHBondContact O-N 2.98Å; V172-I175 WeakPolarHBondContact O-CB 3.47Å; V172-I175 PolarHBondContact O-N 3.24Å; V172-V176 HydrophobicContact CG1-CG2 4.35Å; V172-V176 WeakPolarHBondContact O-CG2 3.41Å; V172-V176 PolarHBondContact O-N 2.86Å; V172-T218 HydrophobicContact CB-CG2 4.27Å; V172-T218 HydrophobicContact CG1-CG2 3.41Å; V172-T218 VanDerWaalsContact CG1-CG2 3.41Å
173	N	32.5	Very low	30.5	Very low	64 Å²	64	90.9 Å²	90.9	34%	0.342	52%	0.523	S	S	.	.	H	α-helix	trans	-60.8	-28	170.8	-60.7	-4.8	0	0	0	113.3	H171 S177	H171-N173 PolarHBondContact O-N 3.32Å; N173-S177 WeakPolarHBondContact O-CB 3.27Å; N173-S177 PolarHBondContact O-N 3.29Å; N173-S177 PolarHBondContact O-OG 2.93Å
174	S	35.7	Very low	30.6	Very low	60 Å²	60	95.2 Å²	95.2	42%	0.42	53%	0.534	S	S	.	.	H	α-helix	trans	-75.9	-30.9	173.9	-179.6	0	0	0	0	112.1	H171 V172 S177 T178	H171-S174 WeakPolarHBondContact O-CA 3.36Å; H171-S174 VanDerWaalsContact O-CB 3.26Å; H171-S174 WeakPolarHBondContact O-CB 3.24Å; H171-S174 PolarHBondContact O-N 3.39Å; V172-S174 PolarHBondContact O-N 2.98Å; S174-S177 WeakPolarHBondContact CA-OG 3.49Å; S174-S177 PolarHBondContact O-OG 3.05Å; S174-T178 PolarHBondContact O-N 3.07Å; S174-T178 PolarHBondContact O-OG1 3.1Å
175	I	36.4	Very low	31	Very low	36 Å²	36	96.2 Å²	96.2	19%	0.185	53%	0.53	C	S	.	.	H	α-helix	trans	-70	-47.6	173.8	-66.7	173.7	0	0	0	108.4	V32 H171 V172 S177 T178 I179	V32-I175 HydrophobicContact CB-CG2 4.46Å; V32-I175 HydrophobicContact CG1-CG2 4.11Å; H171-I175 PolarHBondContact O-N 2.77Å; V172-I175 WeakPolarHBondContact O-CB 3.47Å; V172-I175 PolarHBondContact O-N 3.24Å; I175-S177 PolarHBondContact O-N 3.42Å; I175-T178 WeakPolarHBondContact O-CA 3.3Å; I175-T178 VanDerWaalsContact O-CB 3.31Å; I175-T178 WeakPolarHBondContact O-CB 3.43Å; I175-T178 PolarHBondContact O-N 3.16Å; I175-I179 HydrophobicContact CG2-CD1 3.67Å; I175-I179 HydrophobicContact CG2-CG1 4.5Å; I175-I179 VanDerWaalsContact O-CD1 3.25Å; I175-I179 WeakPolarHBondContact O-CD1 3.24Å; I175-I179 WeakPolarHBondContact O-CG1 3.47Å; I175-I179 PolarHBondContact O-N 3.12Å
176	V	33.5	Very low	31	Very low	10 Å²	10	97.7 Å²	97.7	6%	0.061	54%	0.539	C	S	.	.	H	α-helix	trans	-61.5	-39.4	177.6	-179.4	0	0	0	0	112.3	V172 T178 I179 L180 L216 V228	V172-V176 HydrophobicContact CG1-CG2 4.35Å; V172-V176 WeakPolarHBondContact O-CG2 3.41Å; V172-V176 PolarHBondContact O-N 2.86Å; V176-T178 PolarHBondContact O-N 3.41Å; V176-I179 PolarHBondContact O-N 3.18Å; V176-L180 HydrophobicContact CG1-CD1 4.24Å; V176-L180 PolarHBondContact O-N 3.02Å; V176-L180 VanDerWaalsContact O-N 3.14Å; V176-L216 HydrophobicContact CG1-CB 3.91Å; V176-L216 HydrophobicContact CG1-CD1 3.17Å; V176-L216 HydrophobicContact CG1-CG 4.02Å; V176-V228 HydrophobicContact CG1-CG1 4.36Å; V176-V228 HydrophobicContact CG2-CG1 4.19Å; V176-V228 HydrophobicContact CG2-CG2 4.01Å
177	S	34.8	Very low	31.2	Very low	46 Å²	46	94.1 Å²	94.1	32%	0.322	53%	0.531	S	S	.	.	H	α-helix	trans	-64.5	-29.5	173.2	69.3	0	0	0	0	113.1	N173 S174 I175 S181	N173-S177 WeakPolarHBondContact O-CB 3.27Å; N173-S177 PolarHBondContact O-N 3.29Å; N173-S177 PolarHBondContact O-OG 2.93Å; S174-S177 WeakPolarHBondContact CA-OG 3.49Å; S174-S177 PolarHBondContact O-OG 3.05Å; I175-S177 PolarHBondContact O-N 3.42Å; S177-S181 PolarHBondContact O-OG 3.13Å; S177-S181 VanDerWaalsContact O-OG 3.05Å
178	T	38.7	Very low	31.4	Very low	69 Å²	69	95.2 Å²	95.2	42%	0.423	54%	0.537	S	S	.	.	H	α-helix	trans	-75.3	-37.7	176.4	-53.6	0	0	0	0	111.4	S174 I175 V176 S181	S174-T178 PolarHBondContact O-N 3.07Å; S174-T178 PolarHBondContact O-OG1 3.1Å; I175-T178 WeakPolarHBondContact O-CA 3.3Å; I175-T178 VanDerWaalsContact O-CB 3.31Å; I175-T178 WeakPolarHBondContact O-CB 3.43Å; I175-T178 PolarHBondContact O-N 3.16Å; V176-T178 PolarHBondContact O-N 3.41Å; T178-S181 PolarHBondContact O-N 2.92Å
179	I	38	Very low	31.6	Very low	48 Å²	48	94.3 Å²	94.3	25%	0.246	53%	0.532	C	S	.	.	H	α-helix	trans	-67	-37.7	178.2	-66.5	147.2	0	0	0	111.9	F19 V32 I175 V176 S181	F19-I179 HydrophobicContact CE1-CD1 3.4Å; F19-I179 VanDerWaalsContact CE1-CD1 3.4Å; F19-I179 HydrophobicContact CE1-CG1 4.28Å; F19-I179 HydrophobicContact CE2-CD1 3.85Å; F19-I179 HydrophobicContact CZ-CD1 2.99Å; F19-I179 HydrophobicContact CZ-CG1 3.79Å; F19-I179 HydrophobicContact CZ-CG2 4.15Å; V32-I179 HydrophobicContact CG2-CD1 3.84Å; V32-I179 HydrophobicContact CG2-CG1 3.56Å; I175-I179 HydrophobicContact CG2-CD1 3.67Å; I175-I179 HydrophobicContact CG2-CG1 4.5Å; I175-I179 VanDerWaalsContact O-CD1 3.25Å; I175-I179 WeakPolarHBondContact O-CD1 3.24Å; I175-I179 WeakPolarHBondContact O-CG1 3.47Å; I175-I179 PolarHBondContact O-N 3.12Å; V176-I179 PolarHBondContact O-N 3.18Å; I179-S181 PolarHBondContact O-N 3.17Å
180	L	32.6	Very low	31.8	Very low	75 Å²	75	94.4 Å²	94.4	39%	0.393	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	3.9	178.8	-72.1	169.6	0	0	0	114.1	V176 P182 E212 L216	V176-L180 HydrophobicContact CG1-CD1 4.24Å; V176-L180 PolarHBondContact O-N 3.02Å; V176-L180 VanDerWaalsContact O-N 3.14Å; L180-P182 WeakPolarHBondContact O-CD 3.46Å; L180-E212 HydrophobicContact CD1-CG 4.32Å; L180-L216 HydrophobicContact CD1-CD1 3.19Å
181	S	34.6	Very low	32.3	Very low	50 Å²	50	94.4 Å²	94.4	35%	0.35	53%	0.533	S	S	.	.	S	Bend	trans	-103	86.2	171.3	-62.8	0	0	0	0	109.4	S177 T178 I179 N183 Q209	S177-S181 PolarHBondContact O-OG 3.13Å; S177-S181 VanDerWaalsContact O-OG 3.05Å; T178-S181 PolarHBondContact O-N 2.92Å; I179-S181 PolarHBondContact O-N 3.17Å; S181-N183 PolarHBondContact O-N 3.47Å; S181-Q209 PolarHBondContact OG-NE2 3.01Å
182	P	27.7	Very low	32.2	Very low	110 Å²	110	95.3 Å²	95.3	71%	0.714	54%	0.543	S	S	*	.			trans	-69.8	108	174.2	29.2	-31.1	0	0	0	108.1	L180 L184	L180-P182 WeakPolarHBondContact O-CD 3.46Å; P182-L184 PolarHBondContact O-N 2.84Å
183	N	30.2	Very low	32.3	Very low	129 Å²	129	100.2 Å²	100.2	69%	0.69	57%	0.567	S	S	*	*			trans	30.7	88.7	160.2	-64.1	-43.5	0	0	0	115.7	S181 I185	S181-N183 PolarHBondContact O-N 3.47Å; N183-I185 PolarHBondContact O-N 2.86Å
184	L	27.5	Very low	32.5	Very low	173 Å²	173	99.8 Å²	99.8	91%	0.906	58%	0.578	S	S	*	*			trans	-73.8	89.1	151.1	-83.2	164.7	0	0	0	107.9	P182	P182-L184 PolarHBondContact O-N 2.84Å
185	I	28.6	Very low	32.7	Very low	125 Å²	125	100.9 Å²	100.9	64%	0.641	59%	0.585	S	S	*	*			trans	16.2	112	144	-56.1	171.7	0	0	0	114.7	N183 E187	N183-I185 PolarHBondContact O-N 2.86Å; I185-E187 HydrophobicContact CG2-CB 3.87Å; I185-E187 HydrophobicContact CG2-CG 3.64Å; I185-E187 PolarHBondContact O-N 3.23Å; I185-E187 VanDerWaalsContact O-N 3.17Å
186	D	26.4	Very low	33.1	Very low	150 Å²	150	103.9 Å²	103.9	80%	0.802	61%	0.609	S	S	*	*			trans	-68.9	93.9	155.8	-163.6	8.7	0	0	0	107.9
187	E	28.7	Very low	33.3	Very low	140 Å²	140	110.9 Å²	110.9	65%	0.654	64%	0.641	S	S	*	*			trans	-134.1	114.1	162.6	-84.9	-171.1	-178.6	0	0	109.9	I185 I189	I185-E187 HydrophobicContact CG2-CB 3.87Å; I185-E187 HydrophobicContact CG2-CG 3.64Å; I185-E187 PolarHBondContact O-N 3.23Å; I185-E187 VanDerWaalsContact O-N 3.17Å; E187-I189 VanDerWaalsContact C-N 3.35Å; E187-I189 HydrophobicContact CB-CG1 4.46Å; E187-I189 PolarHBondContact O-N 2.96Å
188	N	27.5	Very low	33.6	Very low	162 Å²	162	115.3 Å²	115.3	87%	0.866	66%	0.657	S	S	*	*			trans	-52.9	93.1	162	-74.8	-68.3	0	0	0	110.4
189	I	28.9	Very low	34	Very low	130 Å²	130	120 Å²	120	67%	0.667	67%	0.668	S	S	*	*			trans	-136.2	112	165.5	-58.2	-179.5	0	0	0	108.8	E187	E187-I189 VanDerWaalsContact C-N 3.35Å; E187-I189 HydrophobicContact CB-CG1 4.46Å; E187-I189 PolarHBondContact O-N 2.96Å
190	A	29.4	Very low	34.2	Very low	86 Å²	86	124.4 Å²	124.4	71%	0.711	69%	0.685	S	S	*	*			trans	-60.3	137.3	167.5	0	0	0	0	0	110	N192	A190-N192 PolarHBondContact O-N 3.42Å; A190-N192 VanDerWaalsContact O-N 3.1Å
191	P	38.6	Very low	34.9	Very low	130 Å²	130	123.7 Å²	123.7	84%	0.844	69%	0.69	S	S	*	*			trans	-82	101	176.5	31.6	-28.7	0	0	0	108.8
192	N	33.4	Very low	35.6	Very low	149 Å²	149	127.4 Å²	127.4	80%	0.797	70%	0.7	S	S	*	*			trans	-93.6	111.9	155	-128.4	-2.1	0	0	0	106.8	A190	A190-N192 PolarHBondContact O-N 3.42Å; A190-N192 VanDerWaalsContact O-N 3.1Å
193	N	34.8	Very low	36.5	Very low	163 Å²	163	124 Å²	124	87%	0.872	68%	0.678	S	S	*	*			trans	47.2	84.1	165.3	-63.8	-16.1	0	0	0	117.8
194	G	35.6	Very low	37.5	Very low	55 Å²	55	122.6 Å²	122.6	57%	0.567	67%	0.67	S	S	*	*			trans	-115	130.8	164.2	0	0	0	0	0	111.4
195	S	41.1	Very low	38.6	Very low	82 Å²	82	116.8 Å²	116.8	57%	0.573	65%	0.647	S	S	*	*			trans	-62.8	153.7	-174.2	42.4	0	0	0	0	114.4	E197 E198	S195-E197 PolarHBondContact O-N 2.83Å; S195-E198 PolarHBondContact O-N 2.86Å; S195-E198 VanDerWaalsContact O-N 3.08Å
196	S	43.7	Very low	39.8	Very low	99 Å²	99	115 Å²	115	69%	0.692	64%	0.636	S	S	*	*	H	α-helix	trans	-48.3	-20.3	-179.4	-60.9	0	0	0	0	116.3	F200	S196-F200 WeakPolarHBondContact O-CD2 3.31Å; S196-F200 PolarHBondContact O-N 2.96Å
197	E	38.1	Very low	40.9	Very low	158 Å²	158	111.8 Å²	111.8	74%	0.738	62%	0.619	S	S	*	*	H	α-helix	trans	-66	-35.9	176.7	-70.4	-179.3	162.9	0	0	113.8	S195 F200 A201	S195-E197 PolarHBondContact O-N 2.83Å; E197-F200 PolarHBondContact O-N 3.36Å; E197-A201 WeakPolarHBondContact O-CB 3.29Å; E197-A201 PolarHBondContact O-N 3.4Å
198	E	41.8	Very low	42.1	Very low	138 Å²	138	110.1 Å²	110.1	65%	0.645	61%	0.614	S	S	*	*	H	α-helix	trans	-69.4	-36.8	178.7	-90.1	-179.1	152.2	0	0	112.3	S195 A201 K202	S195-E198 PolarHBondContact O-N 2.86Å; S195-E198 VanDerWaalsContact O-N 3.08Å; E198-A201 PolarHBondContact O-N 2.9Å; E198-K202 WeakPolarHBondContact O-CB 3.36Å; E198-K202 PolarHBondContact O-N 3.16Å
199	Y	46.3	Very low	43.4	Very low	168 Å²	168	106.6 Å²	106.6	66%	0.659	59%	0.592	S	S	*	*	H	α-helix	trans	-65.8	-42.8	175.1	-175	-97.5	0	0	0	111.3	K202 C203	Y199-K202 PolarHBondContact O-N 2.97Å; Y199-C203 PolarHBondContact O-N 3.15Å; Y199-C203 PolarHBondContact O-SG 3.43Å; Y199-C203 VanDerWaalsContact O-SG 3.4Å
200	F	42.1	Very low	44.8	Very low	140 Å²	140	106.3 Å²	106.3	61%	0.614	59%	0.586	S	S	*	*	H	α-helix	trans	-63.4	-43.4	175.5	-97.2	-82.4	0	0	0	112.5	S196 E197 K202 C203 I204	S196-F200 WeakPolarHBondContact O-CD2 3.31Å; S196-F200 PolarHBondContact O-N 2.96Å; E197-F200 PolarHBondContact O-N 3.36Å; F200-K202 VanDerWaalsContact C-N 3.28Å; F200-K202 PolarHBondContact O-N 2.62Å; F200-C203 PolarHBondContact O-N 3.07Å; F200-I204 WeakPolarHBondContact O-CG1 3.3Å; F200-I204 PolarHBondContact O-N 3.3Å
201	A	47.2	Very low	46.2	Very low	60 Å²	60	107 Å²	107	50%	0.496	58%	0.577	S	S	.	*	H	α-helix	trans	-60.6	-39	176.1	0	0	0	0	0	111.9	E197 E198 I204 A205	E197-A201 WeakPolarHBondContact O-CB 3.29Å; E197-A201 PolarHBondContact O-N 3.4Å; E198-A201 PolarHBondContact O-N 2.9Å; A201-I204 PolarHBondContact O-N 3.38Å; A201-A205 WeakPolarHBondContact O-CB 3.5Å; A201-A205 PolarHBondContact O-N 3.48Å
202	K	50	Low	47.1	Very low	128 Å²	128	103.9 Å²	103.9	56%	0.557	55%	0.551	S	S	*	*	H	α-helix	trans	-65.2	-44.7	176.1	-168.6	175.9	179.3	177.6	0	112.4	E198 Y199 F200 I204 A205 E206	E198-K202 WeakPolarHBondContact O-CB 3.36Å; E198-K202 PolarHBondContact O-N 3.16Å; Y199-K202 PolarHBondContact O-N 2.97Å; F200-K202 VanDerWaalsContact C-N 3.28Å; F200-K202 PolarHBondContact O-N 2.62Å; K202-I204 PolarHBondContact O-N 3.14Å; K202-A205 PolarHBondContact O-N 3.38Å; K202-E206 WeakPolarHBondContact O-CG 3.49Å; K202-E206 PolarHBondContact O-N 3.33Å
203	C	46.7	Very low	48.3	Very low	38 Å²	38	97.5 Å²	97.5	26%	0.257	52%	0.519	S	S	.	.	H	α-helix	trans	-61.7	-42	175.8	-67.8	0	0	0	0	112.3	Y199 F200 A205 E206 D207	Y199-C203 PolarHBondContact O-N 3.15Å; Y199-C203 PolarHBondContact O-SG 3.43Å; Y199-C203 VanDerWaalsContact O-SG 3.4Å; F200-C203 PolarHBondContact O-N 3.07Å; C203-A205 VanDerWaalsContact C-N 3.35Å; C203-A205 PolarHBondContact O-N 3.36Å; C203-E206 PolarHBondContact O-N 3.27Å; C203-D207 PolarHBondContact O-N 2.96Å
204	I	51.5	Low	49.8	Very low	101 Å²	101	92.9 Å²	92.9	52%	0.518	50%	0.503	S	S	.	.	H	α-helix	trans	-62.7	-42.8	176.2	-67.1	169	0	0	0	110.8	F200 A201 K202 D207 L208	F200-I204 WeakPolarHBondContact O-CG1 3.3Å; F200-I204 PolarHBondContact O-N 3.3Å; A201-I204 PolarHBondContact O-N 3.38Å; K202-I204 PolarHBondContact O-N 3.14Å; I204-D207 PolarHBondContact O-N 2.83Å; I204-L208 HydrophobicContact CG2-CD1 3.98Å; I204-L208 HydrophobicContact CG2-CG 4.35Å; I204-L208 WeakPolarHBondContact O-CB 3.44Å; I204-L208 WeakPolarHBondContact O-CG 3.4Å; I204-L208 PolarHBondContact O-N 3.11Å
205	A	49.5	Very low	51.3	Low	51 Å²	51	92.2 Å²	92.2	42%	0.421	48%	0.484	S	S	.	.	H	α-helix	trans	-63.3	-42.1	177.5	0	0	0	0	0	112.2	A201 K202 C203 L208 Q209	A201-A205 WeakPolarHBondContact O-CB 3.5Å; A201-A205 PolarHBondContact O-N 3.48Å; K202-A205 PolarHBondContact O-N 3.38Å; C203-A205 VanDerWaalsContact C-N 3.35Å; C203-A205 PolarHBondContact O-N 3.36Å; A205-L208 PolarHBondContact O-N 2.97Å; A205-Q209 WeakPolarHBondContact O-CG 3.2Å; A205-Q209 PolarHBondContact O-N 3.02Å
206	E	54.3	Low	52.3	Low	88 Å²	88	89 Å²	89	41%	0.411	46%	0.46	S	S	.	.	H	α-helix	trans	-62.4	-41.1	175.2	-74.4	176.1	-171.8	0	0	112	K202 C203 Q209 K210	K202-E206 WeakPolarHBondContact O-CG 3.49Å; K202-E206 PolarHBondContact O-N 3.33Å; C203-E206 PolarHBondContact O-N 3.27Å; E206-Q209 PolarHBondContact O-N 3.41Å; E206-K210 WeakPolarHBondContact O-CG 3.48Å; E206-K210 PolarHBondContact O-N 3.39Å
207	D	49	Very low	53.4	Low	81 Å²	81	86.1 Å²	86.1	43%	0.433	43%	0.434	S	S	.	.	H	α-helix	trans	-71.3	-38.3	177.8	-74.4	-18.1	0	0	0	112.4	C203 I204 Q209 K210 I211	C203-D207 PolarHBondContact O-N 2.96Å; I204-D207 PolarHBondContact O-N 2.83Å; D207-Q209 VanDerWaalsContact C-N 3.33Å; D207-Q209 PolarHBondContact O-N 3.13Å; D207-K210 PolarHBondContact O-N 3.15Å; D207-K210 IonicContact OD1-NZ 2.68Å; D207-K210 PolarHBondContact OD1-NZ 3.29Å; D207-I211 VanDerWaalsContact O-CG1 3.27Å; D207-I211 WeakPolarHBondContact O-CG1 3.24Å; D207-I211 PolarHBondContact O-N 3.45Å
208	L	53.8	Low	54.6	Low	106 Å²	106	80.6 Å²	80.6	56%	0.555	41%	0.411	S	S	*	.	H	α-helix	trans	-60.8	-41.2	171.8	-75.4	172.7	0	0	0	111.7	I204 A205 I211 E212	I204-L208 HydrophobicContact CG2-CD1 3.98Å; I204-L208 HydrophobicContact CG2-CG 4.35Å; I204-L208 WeakPolarHBondContact O-CB 3.44Å; I204-L208 WeakPolarHBondContact O-CG 3.4Å; I204-L208 PolarHBondContact O-N 3.11Å; A205-L208 PolarHBondContact O-N 2.97Å; L208-I211 PolarHBondContact O-N 2.86Å; L208-E212 WeakPolarHBondContact O-CB 3.44Å; L208-E212 PolarHBondContact O-N 3.22Å
209	Q	55.4	Low	55.4	Low	88 Å²	88	76.1 Å²	76.1	41%	0.411	39%	0.393	S	S	.	.	H	α-helix	trans	-63.9	-41	175.1	-81.6	-172.6	-21.7	0	0	112.6	S181 A205 E206 D207 I211 E212 A213	S181-Q209 PolarHBondContact OG-NE2 3.01Å; A205-Q209 WeakPolarHBondContact O-CG 3.2Å; A205-Q209 PolarHBondContact O-N 3.02Å; E206-Q209 PolarHBondContact O-N 3.41Å; D207-Q209 VanDerWaalsContact C-N 3.33Å; D207-Q209 PolarHBondContact O-N 3.13Å; Q209-I211 VanDerWaalsContact C-N 3.35Å; Q209-E212 PolarHBondContact O-N 3.4Å; Q209-A213 WeakPolarHBondContact O-CB 3.39Å; Q209-A213 PolarHBondContact O-N 3.46Å
210	K	59.5	Low	55.7	Low	124 Å²	124	75.7 Å²	75.7	54%	0.539	40%	0.402	S	S	.	.	H	α-helix	trans	-62.5	-43	174.9	-70.7	171.8	-158.2	151.3	0	111.5	E206 D207 E212 A213 A214	E206-K210 WeakPolarHBondContact O-CG 3.48Å; E206-K210 PolarHBondContact O-N 3.39Å; D207-K210 PolarHBondContact O-N 3.15Å; D207-K210 IonicContact OD1-NZ 2.68Å; D207-K210 PolarHBondContact OD1-NZ 3.29Å; K210-E212 VanDerWaalsContact C-N 3.32Å; K210-A213 PolarHBondContact O-N 2.84Å; K210-A214 WeakPolarHBondContact O-CB 3.5Å; K210-A214 PolarHBondContact O-N 3.47Å
211	I	56.9	Low	56.1	Low	100 Å²	100	72.4 Å²	72.4	51%	0.513	39%	0.391	S	S	.	.	H	α-helix	trans	-61.7	-43.1	176.2	-68.3	164.7	0	0	0	110.1	D207 L208 Q209 A214 R215	D207-I211 VanDerWaalsContact O-CG1 3.27Å; D207-I211 WeakPolarHBondContact O-CG1 3.24Å; D207-I211 PolarHBondContact O-N 3.45Å; L208-I211 PolarHBondContact O-N 2.86Å; Q209-I211 VanDerWaalsContact C-N 3.35Å; I211-A214 PolarHBondContact O-N 2.99Å; I211-R215 WeakPolarHBondContact O-CG 3.35Å; I211-R215 PolarHBondContact O-N 2.89Å
212	E	59	Low	56	Low	64 Å²	64	75.9 Å²	75.9	30%	0.299	40%	0.397	S	S	.	.	H	α-helix	trans	-68.7	-40.4	179.9	-165.8	156	-147.3	0	0	112.3	L180 L208 Q209 K210 R215 L216 R230	L180-E212 HydrophobicContact CD1-CG 4.32Å; L208-E212 WeakPolarHBondContact O-CB 3.44Å; L208-E212 PolarHBondContact O-N 3.22Å; Q209-E212 PolarHBondContact O-N 3.4Å; K210-E212 VanDerWaalsContact C-N 3.32Å; E212-R215 PolarHBondContact O-N 3.33Å; E212-L216 WeakPolarHBondContact O-CD1 3.43Å; E212-R230 IonicContact OE1-CZ 3Å; E212-R230 VanDerWaalsContact OE1-CZ 3.24Å; E212-R230 IonicContact OE1-NH1 3.17Å; E212-R230 PolarHBondContact OE1-NH1 2.88Å; E212-R230 IonicContact OE1-NH2 2.9Å; E212-R230 PolarHBondContact OE1-NH2 3.14Å
213	A	59.1	Low	56	Low	16 Å²	16	70.1 Å²	70.1	13%	0.132	37%	0.374	C	S	.	.	H	α-helix	trans	-64.8	-37.4	174.4	0	0	0	0	0	112.8	Q209 K210 R215 L216	Q209-A213 WeakPolarHBondContact O-CB 3.39Å; Q209-A213 PolarHBondContact O-N 3.46Å; K210-A213 PolarHBondContact O-N 2.84Å; A213-R215 PolarHBondContact O-N 3.41Å; A213-L216 PolarHBondContact O-N 3.48Å
214	A	64.8	Low	56	Low	65 Å²	65	70.2 Å²	70.2	54%	0.537	38%	0.382	S	S	.	.	H	α-helix	trans	-66.3	-19.2	176.9	0	0	0	0	0	113.4	K210 I211	K210-A214 WeakPolarHBondContact O-CB 3.5Å; K210-A214 PolarHBondContact O-N 3.47Å; I211-A214 PolarHBondContact O-N 2.99Å
215	R	67.4	Low	56.3	Low	42 Å²	42	66.3 Å²	66.3	16%	0.158	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-0.1	179.4	-70.3	-179.2	62.6	-154	-14.6	113.8	I211 E212 A213 R230 R231 P232 N233	I211-R215 WeakPolarHBondContact O-CG 3.35Å; I211-R215 PolarHBondContact O-N 2.89Å; E212-R215 PolarHBondContact O-N 3.33Å; A213-R215 PolarHBondContact O-N 3.41Å; R215-R230 CarbonylContact O-C 3.54Å; R215-R230 WeakPolarHBondContact O-CA 3.32Å; R215-R231 PolarHBondContact NH2-O 3.11Å; R215-R231 PolarHBondContact O-N 3.49Å; R215-P232 PolarHBondContact NH2-O 3.45Å; R215-P232 VanDerWaalsContact NH2-O 3.15Å; R215-N233 PolarHBondContact NH1-OD1 2.8Å; R215-N233 VanDerWaalsContact NH2-N 3.12Å; R215-N233 PolarHBondContact NH2-OD1 3.45Å
216	L	63.2	Low	56.6	Low	14 Å²	14	64.9 Å²	64.9	7%	0.073	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.5	178.8	-64.9	155.9	0	0	0	108.1	V176 L180 E212 A213 V228 E229 R230	V176-L216 HydrophobicContact CG1-CB 3.91Å; V176-L216 HydrophobicContact CG1-CD1 3.17Å; V176-L216 HydrophobicContact CG1-CG 4.02Å; L180-L216 HydrophobicContact CD1-CD1 3.19Å; E212-L216 WeakPolarHBondContact O-CD1 3.43Å; A213-L216 PolarHBondContact O-N 3.48Å; L216-V228 HydrophobicContact CB-CG1 4.03Å; L216-V228 HydrophobicContact CD2-CG1 3.87Å; L216-V228 HydrophobicContact CG-CG1 4.48Å; L216-E229 WeakPolarHBondContact CA-O 3.49Å; L216-R230 HydrophobicContact CD2-CB 3.91Å; L216-R230 HydrophobicContact CD2-CG 4.05Å
217	R	66.8	Low	56.8	Low	39 Å²	39	61.6 Å²	61.6	15%	0.147	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	149.7	176	67	179.6	176.6	-140	-13.8	109.1	V228 E229 E439 E450	R217-V228 CarbonylContact O-C 3.53Å; R217-V228 WeakPolarHBondContact O-CA 3.36Å; R217-E229 HydrophobicContact CG-CB 3.8Å; R217-E229 IonicContact CZ-OE2 2.56Å; R217-E229 PolarHBondContact N-O 3.36Å; R217-E229 IonicContact NE-OE2 3.26Å; R217-E229 PolarHBondContact NE-OE2 3.03Å; R217-E229 IonicContact NH2-OE2 3.35Å; R217-E229 PolarHBondContact NH2-OE2 3.41Å; R217-E229 PolarHBondContact O-N 3.14Å; R217-E439 IonicContact CZ-OE1 3.41Å; R217-E439 IonicContact CZ-OE2 3.27Å; R217-E439 IonicContact NH1-OE1 3.14Å; R217-E439 PolarHBondContact NH1-OE1 2.91Å; R217-E439 IonicContact NH1-OE2 2.92Å; R217-E439 PolarHBondContact NH1-OE2 2.53Å; R217-E439 VanDerWaalsContact NH1-OE2 3.17Å; R217-E439 IonicContact NH2-OE1 2.77Å; R217-E439 PolarHBondContact NH2-OE1 3.22Å; R217-E439 IonicContact NH2-OE2 3.05Å; R217-E439 PolarHBondContact NH2-OE2 2.74Å; R217-E450 WeakPolarHBondContact CD-OE1 3.4Å; R217-E450 IonicContact CZ-OE1 3.92Å; R217-E450 IonicContact NE-OE1 3.52Å; R217-E450 IonicContact NH1-OE1 3.38Å; R217-E450 PolarHBondContact NH1-OE1 2.99Å; R217-E450 IonicContact NH1-OE2 3.16Å
218	T	61.6	Low	57.4	Low	41 Å²	41	58 Å²	58	25%	0.252	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.1	178.9	54	0	0	0	0	110.3	V172 A226 V227 V228	V172-T218 HydrophobicContact CB-CG2 4.27Å; V172-T218 HydrophobicContact CG1-CG2 3.41Å; V172-T218 VanDerWaalsContact CG1-CG2 3.41Å; T218-A226 HydrophobicContact CG2-CB 4.26Å; T218-V227 CarbonylContact C-O 3.5Å; T218-V227 VanDerWaalsContact CA-O 3.3Å; T218-V227 WeakPolarHBondContact CA-O 3.41Å; T218-V228 HydrophobicContact CG2-CG2 3.91Å
219	T	58.9	Low	58	Low	44 Å²	44	56 Å²	56	27%	0.27	30%	0.304	S	S	.	.			trans	-69.4	133.4	168.3	60.3	0	0	0	0	109.4	D221 V227	T219-D221 PolarHBondContact O-N 3.2Å; T219-V227 HydrophobicContact CG2-CB 3.94Å; T219-V227 PolarHBondContact N-O 2.99Å; T219-V227 WeakPolarHBondContact OG1-CB 3.42Å; T219-V227 PolarHBondContact OG1-N 3.39Å
220	D	53	Low	58.6	Low	159 Å²	159	56.3 Å²	56.3	85%	0.85	30%	0.301	S	S	*	.			trans	-74.5	75	171.7	-71.2	-28.4	0	0	0	108.9
221	D	50	Low	59.4	Low	71 Å²	71	52.2 Å²	52.2	38%	0.38	28%	0.282	S	S	.	.			trans	-94.4	118.9	174.8	-158.4	-15.4	0	0	0	109.7	T219 G223	T219-D221 PolarHBondContact O-N 3.2Å; D221-G223 PolarHBondContact O-N 3.06Å; D221-G223 PolarHBondContact OD1-N 3.48Å
222	E	45.4	Very low	60.3	Low	133 Å²	133	49.3 Å²	49.3	62%	0.621	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.1	179.4	-67.5	-170.2	160.3	0	0	112.3	G224	E222-G224 VanDerWaalsContact C-N 3.35Å; E222-G224 PolarHBondContact O-N 3.45Å
223	G	49.6	Very low	61.1	Low	8 Å²	8	51.2 Å²	51.2	8%	0.082	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-7.1	-175.9	0	0	0	0	0	117.2	K89 G90 D221 F225	K89-G223 CarbonylContact C-O 3.53Å; G90-G223 WeakPolarHBondContact CA-O 3.47Å; G90-G223 PolarHBondContact N-O 2.91Å; D221-G223 PolarHBondContact O-N 3.06Å; D221-G223 PolarHBondContact OD1-N 3.48Å; G223-F225 WeakPolarHBondContact O-CD2 3.39Å; G223-F225 WeakPolarHBondContact O-CE2 3.49Å
224	G	47.2	Very low	62.2	Low	40 Å²	40	55.5 Å²	55.5	41%	0.412	31%	0.309	S	S	.	.	S	Bend	trans	82.2	13.3	-179.5	0	0	0	0	0	115.4	E222	E222-G224 VanDerWaalsContact C-N 3.35Å; E222-G224 PolarHBondContact O-N 3.45Å
225	F	57.1	Low	63.2	Low	18 Å²	18	54.5 Å²	54.5	8%	0.079	29%	0.294	C	S	.	.			trans	-130.3	118.3	168.8	-52.1	-79.4	0	0	0	106.8	L18 F87 F95 G223	L18-F225 HydrophobicContact CB-CD1 3.66Å; L18-F225 HydrophobicContact CB-CE1 3.65Å; L18-F225 HydrophobicContact CD2-CD1 4.34Å; L18-F225 HydrophobicContact CD2-CE1 4.34Å; L18-F225 HydrophobicContact CG-CD1 4.47Å; L18-F225 VanDerWaalsContact O-CD1 3.23Å; L18-F225 WeakPolarHBondContact O-CD1 3.36Å; F87-F225 HydrophobicContact CB-CZ 4.21Å; F87-F225 AromaticContact CD1-CE1 3.55Å; F87-F225 HydrophobicContact CD1-CE1 3.55Å; F87-F225 AromaticContact CD1-CE2 3.87Å; F87-F225 HydrophobicContact CD1-CE2 3.87Å; F87-F225 AromaticContact CD1-CZ 3Å; F87-F225 HydrophobicContact CD1-CZ 3Å; F87-F225 HydrophobicContact CE1-CD1 4.46Å; F87-F225 AromaticContact CE1-CE1 3.44Å; F87-F225 HydrophobicContact CE1-CE1 3.44Å; F87-F225 VanDerWaalsContact CE1-CE1 3.44Å; F87-F225 HydrophobicContact CE1-CE2 4.15Å; F87-F225 AromaticContact CE1-CZ 3.32Å; F87-F225 HydrophobicContact CE1-CZ 3.32Å; F87-F225 HydrophobicContact CG-CE2 4.32Å; F87-F225 AromaticContact CG-CZ 3.8Å; F87-F225 HydrophobicContact CG-CZ 3.8Å; F87-F225 HydrophobicContact CZ-CZ 4.39Å; F95-F225 HydrophobicContact CD2-CD1 4.38Å; F95-F225 HydrophobicContact CD2-CG 4.38Å; G223-F225 WeakPolarHBondContact O-CD2 3.39Å; G223-F225 WeakPolarHBondContact O-CE2 3.49Å
226	A	56.4	Low	64.3	Low	22 Å²	22	58 Å²	58	18%	0.182	33%	0.325	C	S	.	.			trans	-94	134.2	176.9	0	0	0	0	0	109.5	F19 T218	F19-A226 VanDerWaalsContact CB-O 3.22Å; F19-A226 WeakPolarHBondContact CB-O 3.47Å; T218-A226 HydrophobicContact CG2-CB 4.26Å
227	V	58.6	Low	65.7	Low	19 Å²	19	59.6 Å²	59.6	12%	0.115	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.5	167	-178.8	0	0	0	0	107.1	L20 L102 T218 T219 E229	L20-V227 WeakPolarHBondContact O-CA 3.44Å; L102-V227 HydrophobicContact CD1-CG1 4.33Å; L102-V227 HydrophobicContact CD1-CG2 4.48Å; T218-V227 CarbonylContact C-O 3.5Å; T218-V227 VanDerWaalsContact CA-O 3.3Å; T218-V227 WeakPolarHBondContact CA-O 3.41Å; T219-V227 HydrophobicContact CG2-CB 3.94Å; T219-V227 PolarHBondContact N-O 2.99Å; T219-V227 WeakPolarHBondContact OG1-CB 3.42Å; T219-V227 PolarHBondContact OG1-N 3.39Å; V227-E229 HydrophobicContact CG1-CG 4.45Å
228	V	61.9	Low	67	Low	5 Å²	5	58.9 Å²	58.9	3%	0.03	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	110.7	175.8	-175.3	0	0	0	0	108	F19 L20 T21 V176 L216 R217 T218	F19-V228 HydrophobicContact CD2-CG2 3.89Å; F19-V228 HydrophobicContact CG-CG2 4.5Å; L20-V228 PolarHBondContact O-N 3.26Å; T21-V228 HydrophobicContact CG2-CB 4.16Å; V176-V228 HydrophobicContact CG1-CG1 4.36Å; V176-V228 HydrophobicContact CG2-CG1 4.19Å; V176-V228 HydrophobicContact CG2-CG2 4.01Å; L216-V228 HydrophobicContact CB-CG1 4.03Å; L216-V228 HydrophobicContact CD2-CG1 3.87Å; L216-V228 HydrophobicContact CG-CG1 4.48Å; R217-V228 CarbonylContact O-C 3.53Å; R217-V228 WeakPolarHBondContact O-CA 3.36Å; T218-V228 HydrophobicContact CG2-CG2 3.91Å
229	E	65.9	Low	68.5	Low	65 Å²	65	62.4 Å²	62.4	30%	0.304	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141.3	172.9	-68.1	177.7	-176.9	0	0	109.9	L216 R217 V227 K455	L216-E229 WeakPolarHBondContact CA-O 3.49Å; R217-E229 HydrophobicContact CG-CB 3.8Å; R217-E229 IonicContact CZ-OE2 2.56Å; R217-E229 PolarHBondContact N-O 3.36Å; R217-E229 IonicContact NE-OE2 3.26Å; R217-E229 PolarHBondContact NE-OE2 3.03Å; R217-E229 IonicContact NH2-OE2 3.35Å; R217-E229 PolarHBondContact NH2-OE2 3.41Å; R217-E229 PolarHBondContact O-N 3.14Å; V227-E229 HydrophobicContact CG1-CG 4.45Å; E229-K455 IonicContact OE2-NZ 3.17Å
230	R	68.8	Low	70.2	Confident	93 Å²	93	64.5 Å²	64.5	35%	0.351	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.7	171.3	-169.5	179.4	-179.8	151	7.9	109	E212 R215 L216	E212-R230 IonicContact OE1-CZ 3Å; E212-R230 VanDerWaalsContact OE1-CZ 3.24Å; E212-R230 IonicContact OE1-NH1 3.17Å; E212-R230 PolarHBondContact OE1-NH1 2.88Å; E212-R230 IonicContact OE1-NH2 2.9Å; E212-R230 PolarHBondContact OE1-NH2 3.14Å; R215-R230 CarbonylContact O-C 3.54Å; R215-R230 WeakPolarHBondContact O-CA 3.32Å; L216-R230 HydrophobicContact CD2-CB 3.91Å; L216-R230 HydrophobicContact CD2-CG 4.05Å
231	R	75.1	Confident	72.2	Confident	38 Å²	38	58.9 Å²	58.9	14%	0.143	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-57.4	144.1	170.6	-70.7	-149.9	-175.4	111.8	5.3	110.3	R215 E439 E447 E450	R215-R231 PolarHBondContact NH2-O 3.11Å; R215-R231 PolarHBondContact O-N 3.49Å; R231-E439 VanDerWaalsContact CD-OE1 3.23Å; R231-E439 WeakPolarHBondContact CD-OE1 3.5Å; R231-E439 VanDerWaalsContact CG-OE1 3.24Å; R231-E439 WeakPolarHBondContact CG-OE1 3.4Å; R231-E439 IonicContact NE-OE1 3.97Å; R231-E447 IonicContact CZ-OE1 3.51Å; R231-E447 VanDerWaalsContact NH1-CD 3.28Å; R231-E447 IonicContact NH1-OE1 3.45Å; R231-E447 PolarHBondContact NH1-OE1 2.93Å; R231-E450 IonicContact CZ-OE2 3.79Å; R231-E450 IonicContact NE-OE2 2.74Å; R231-E450 PolarHBondContact NE-OE2 3.25Å; R231-E450 IonicContact NH2-OE2 3.52Å; R231-E450 PolarHBondContact NH2-OE2 3Å
232	P	75.6	Confident	74.3	Confident	40 Å²	40	61.8 Å²	61.8	26%	0.26	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-50.7	152	174	-24.3	33.7	0	0	0	112.1	R215 E439 I440 P554	R215-P232 PolarHBondContact NH2-O 3.45Å; R215-P232 VanDerWaalsContact NH2-O 3.15Å; P232-E439 VanDerWaalsContact CD-CD 3.41Å; P232-E439 VanDerWaalsContact CD-OE1 3.25Å; P232-E439 WeakPolarHBondContact CD-OE1 3.3Å; P232-E439 HydrophobicContact CG-CG 4.26Å; P232-I440 HydrophobicContact CB-CD1 3.5Å; P232-I440 HydrophobicContact CG-CD1 3.75Å; P232-P554 HydrophobicContact CB-CG 4.23Å; P232-P554 HydrophobicContact CG-CG 4.4Å
233	N	76.9	Confident	76.7	Confident	103 Å²	103	57 Å²	57	55%	0.551	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-61.8	138.4	170.3	-70.9	-32.4	0	0	0	108.3	R215 I235	R215-N233 PolarHBondContact NH1-OD1 2.8Å; R215-N233 VanDerWaalsContact NH2-N 3.12Å; R215-N233 PolarHBondContact NH2-OD1 3.45Å; N233-I235 VanDerWaalsContact O-CG1 3.27Å; N233-I235 WeakPolarHBondContact O-CG1 3.25Å; N233-I235 PolarHBondContact O-N 3.38Å
234	P	81.1	Confident	78.8	Confident	107 Å²	107	64.3 Å²	64.3	70%	0.695	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-53.5	124.9	171.1	-25.4	34	0	0	0	110
235	I	86.9	Confident	81.1	Confident	44 Å²	44	64.8 Å²	64.8	23%	0.226	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-103.9	129.8	179.6	-52.3	-176.9	0	0	0	107.6	N233 L237 I440 I549 L553	N233-I235 VanDerWaalsContact O-CG1 3.27Å; N233-I235 WeakPolarHBondContact O-CG1 3.25Å; N233-I235 PolarHBondContact O-N 3.38Å; I235-L237 PolarHBondContact O-N 3.16Å; I235-I440 HydrophobicContact CD1-CD1 4.09Å; I235-I440 HydrophobicContact CD1-CG2 4.37Å; I235-I549 HydrophobicContact CG2-CD1 3.92Å; I235-L553 HydrophobicContact CD1-CD2 3.91Å
236	S	89.3	Confident	82.9	Confident	115 Å²	115	66.6 Å²	66.6	80%	0.804	37%	0.374	S	S	*	.			trans	-74.6	107.3	172.9	-176.2	0	0	0	0	109.1
237	L	93.1	Very high	84.9	Confident	47 Å²	47	72.4 Å²	72.4	25%	0.246	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-75.6	139.3	179.5	-56.9	174.5	0	0	0	111	I235 I440 V441 L546 I549	I235-L237 PolarHBondContact O-N 3.16Å; L237-I440 HydrophobicContact CD2-CG2 4.43Å; L237-V441 HydrophobicContact CD1-CG1 4.41Å; L237-L546 HydrophobicContact CD2-CD2 3.93Å; L237-I549 HydrophobicContact CD2-CD1 3.61Å
238	P	94.1	Very high	86.7	Confident	24 Å²	24	73.7 Å²	73.7	16%	0.156	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-67.1	165.2	172.4	29.1	-33.5	0	0	0	110.7	Q545 Q548 I549	P238-Q545 HydrophobicContact CG-CG 3.84Å; P238-Q545 WeakPolarHBondContact CG-O 3.25Å; P238-Q545 WeakPolarHBondContact O-CG 3.43Å; P238-Q545 PolarHBondContact O-NE2 3.02Å; P238-Q548 HydrophobicContact CG-CB 4.18Å; P238-I549 HydrophobicContact CG-CG2 4.11Å
239	P	94.5	Very high	88.4	Confident	116 Å²	116	73.4 Å²	73.4	75%	0.753	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-56.1	142.4	173.3	-23.7	33.9	0	0	0	112.1
240	M	93.5	Very high	89.9	Confident	88 Å²	88	72.3 Å²	72.3	43%	0.433	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-59.9	126.8	176.2	-79.5	-73.1	-83.1	0	0	110.5	A541 L542 Q545	M240-A541 HydrophobicContact CE-CB 3.39Å; M240-A541 HydrophobicContact SD-CB 4.33Å; M240-L542 HydrophobicContact CE-CB 4.3Å; M240-Q545 HydrophobicContact SD-CB 3.77Å; M240-Q545 HydrophobicContact SD-CG 4.06Å; M240-Q545 PolarHBondContact SD-OE1 3.33Å
241	P	95.3	Very high	91.3	Very high	40 Å²	40	71 Å²	71	26%	0.26	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-66.5	149.6	177.5	28.3	-33.8	0	0	0	110.6	V243 A541	P241-V243 PolarHBondContact O-N 3.34Å; P241-A541 VanDerWaalsContact CD-O 3.29Å; P241-A541 WeakPolarHBondContact CD-O 3.24Å; P241-A541 HydrophobicContact CG-CB 4.27Å; P241-A541 WeakPolarHBondContact CG-O 3.23Å
242	T	94.8	Very high	92.3	Very high	133 Å²	133	72.9 Å²	72.9	82%	0.816	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-77.3	124.5	174.3	-56.8	0	0	0	0	109.5
243	V	95.4	Very high	93.3	Very high	32 Å²	32	74 Å²	74	19%	0.194	42%	0.421	C	S	.	.			trans	-120.9	139.4	177.5	176.4	0	0	0	0	109	P241 I537 T540 A541	P241-V243 PolarHBondContact O-N 3.34Å; V243-I537 HydrophobicContact CB-CG2 4.16Å; V243-T540 HydrophobicContact CG1-CG2 3.8Å; V243-T540 HydrophobicContact CG2-CG2 4.04Å; V243-A541 HydrophobicContact CB-CB 4.47Å; V243-A541 HydrophobicContact CG2-CB 3.8Å
244	Q	93.9	Very high	94.2	Very high	161 Å²	161	69.8 Å²	69.8	75%	0.752	40%	0.397	S	S	*	.			trans	-130.9	142.3	174.1	-67.4	-171.3	-11.3	0	0	110
245	R	95.2	Very high	94.9	Very high	51 Å²	51	71.2 Å²	71.2	19%	0.192	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-76.7	143.1	174.7	-68.2	-73.5	-59.4	-87.1	-12.6	110.2	N276 E533 I537	R245-N276 WeakPolarHBondContact CA-O 3.26Å; R245-N276 VanDerWaalsContact CD-O 3.27Å; R245-N276 WeakPolarHBondContact CD-O 3.41Å; R245-N276 PolarHBondContact NE-O 3.03Å; R245-E533 VanDerWaalsContact CG-OE2 3.28Å; R245-E533 WeakPolarHBondContact CG-OE2 3.42Å; R245-E533 VanDerWaalsContact CZ-CD 3.41Å; R245-E533 IonicContact CZ-OE1 2.9Å; R245-E533 IonicContact CZ-OE2 2.98Å; R245-E533 IonicContact NE-OE2 3.32Å; R245-E533 PolarHBondContact NE-OE2 3.22Å; R245-E533 IonicContact NH1-OE1 2.74Å; R245-E533 PolarHBondContact NH1-OE1 3.27Å; R245-E533 IonicContact NH1-OE2 3.5Å; R245-E533 PolarHBondContact NH1-OE2 2.5Å; R245-E533 IonicContact NH2-OE1 3.67Å; R245-E533 PolarHBondContact NH2-OE1 2.98Å; R245-E533 IonicContact NH2-OE2 2.66Å; R245-E533 PolarHBondContact NH2-OE2 2.87Å; R245-I537 HydrophobicContact CG-CD1 3.96Å; R245-I537 HydrophobicContact CG-CG1 3.77Å
246	S	95.4	Very high	95.3	Very high	55 Å²	55	78.7 Å²	78.7	39%	0.385	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-95.1	172	175.9	66.3	0	0	0	0	111.4	N276 G277	S246-N276 PolarHBondContact N-O 2.66Å; S246-N276 VanDerWaalsContact OG-C 3.25Å; S246-N276 WeakPolarHBondContact OG-CB 3.48Å; S246-N276 PolarHBondContact OG-O 3.33Å; S246-G277 VanDerWaalsContact O-CA 3.24Å; S246-G277 WeakPolarHBondContact O-CA 3.26Å; S246-G277 WeakPolarHBondContact OG-CA 3.4Å; S246-G277 PolarHBondContact OG-N 3.49Å
247	L	96.5	Very high	95.5	Very high	144 Å²	144	73.9 Å²	73.9	75%	0.754	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-64.8	149.4	167.3	-67.3	173.3	0	0	0	110.4
248	P	97.6	Very high	95.7	Very high	46 Å²	46	74 Å²	74	30%	0.299	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-63.8	154	177.4	26.7	-34.7	0	0	0	111.7	N250 G277 G278 E280	P248-N250 PolarHBondContact O-N 3.36Å; P248-N250 VanDerWaalsContact O-N 3.13Å; P248-G277 WeakPolarHBondContact CA-O 3.49Å; P248-G277 WeakPolarHBondContact CB-O 3.34Å; P248-G278 CarbonylContact C-O 3.46Å; P248-G278 WeakPolarHBondContact CA-O 3.47Å; P248-E280 HydrophobicContact CB-CG 4.39Å; P248-E280 HydrophobicContact CG-CG 4.15Å
249	L	98	Very high	95.7	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-56.6	117.7	173.2	179.1	69.7	0	0	0	109.5	Q253 W254 L270 I273 I274 G278 E280 L283 V287	L249-Q253 HydrophobicContact CD1-CB 3.62Å; L249-W254 HydrophobicContact CD2-CE3 4.19Å; L249-L270 HydrophobicContact CD1-CD2 3.76Å; L249-L270 HydrophobicContact CD2-CD2 4.23Å; L249-I273 HydrophobicContact CB-CG2 4Å; L249-I273 HydrophobicContact CD1-CG2 3.9Å; L249-I274 HydrophobicContact CB-CG1 4.37Å; L249-I274 HydrophobicContact CD2-CD1 4.17Å; L249-I274 HydrophobicContact CD2-CG1 3.98Å; L249-G278 PolarHBondContact N-O 3Å; L249-E280 WeakPolarHBondContact O-CG 3.17Å; L249-E280 PolarHBondContact O-N 3.07Å; L249-E280 VanDerWaalsContact O-N 3.07Å; L249-L283 HydrophobicContact CG-CD1 4.33Å; L249-L283 WeakPolarHBondContact O-CD1 3.49Å; L249-V287 HydrophobicContact CD2-CG2 4.39Å
250	N	97.3	Very high	95.7	Very high	42 Å²	42	74.6 Å²	74.6	23%	0.225	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-101.1	165.1	178.9	66.9	56.4	0	0	0	113.3	P248 T252 Q253 W254 E280 L283	P248-N250 PolarHBondContact O-N 3.36Å; P248-N250 VanDerWaalsContact O-N 3.13Å; N250-T252 PolarHBondContact O-N 3.44Å; N250-T252 VanDerWaalsContact O-N 3.12Å; N250-T252 WeakPolarHBondContact OD1-CA 3.25Å; N250-T252 VanDerWaalsContact OD1-CB 3.3Å; N250-T252 WeakPolarHBondContact OD1-CB 3.34Å; N250-T252 PolarHBondContact OD1-N 2.91Å; N250-Q253 VanDerWaalsContact N-OE1 3.15Å; N250-Q253 PolarHBondContact ND2-OE1 3.08Å; N250-Q253 PolarHBondContact O-N 2.98Å; N250-Q253 VanDerWaalsContact O-N 3.11Å; N250-Q253 PolarHBondContact OD1-N 2.85Å; N250-W254 PolarHBondContact O-N 2.7Å; N250-E280 VanDerWaalsContact CA-CD 3.48Å; N250-E280 WeakPolarHBondContact CA-OE2 3.45Å; N250-E280 HydrophobicContact CB-CG 4.3Å; N250-E280 VanDerWaalsContact CB-OE1 3.27Å; N250-E280 WeakPolarHBondContact CB-OE1 3.41Å; N250-E280 VanDerWaalsContact CB-OE2 3.31Å; N250-E280 WeakPolarHBondContact CB-OE2 3.36Å; N250-L283 VanDerWaalsContact C-CD1 3.44Å
251	M	96.7	Very high	95.9	Very high	65 Å²	65	75.4 Å²	75.4	32%	0.32	39%	0.39	S	S	.	.	H	α-helix	trans	-55.4	-32.9	-178.8	-175.4	60.6	68.5	0	0	113.4	K255 E280 L283	M251-K255 HydrophobicContact CG-CD 4.27Å; M251-K255 WeakPolarHBondContact O-CB 3.31Å; M251-K255 VanDerWaalsContact O-CG 3.32Å; M251-K255 WeakPolarHBondContact O-CG 3.12Å; M251-K255 PolarHBondContact O-N 3.3Å; M251-K255 HydrophobicContact SD-CD 4.38Å; M251-K255 HydrophobicContact SD-CG 4.29Å; M251-E280 PolarHBondContact N-OE2 2.75Å; M251-L283 HydrophobicContact CE-CD2 3.39Å; M251-L283 HydrophobicContact CE-CG 3.98Å; M251-L283 HydrophobicContact SD-CD2 3.78Å
252	T	96.4	Very high	95.8	Very high	77 Å²	77	74.1 Å²	74.1	47%	0.472	38%	0.384	S	S	.	.	H	α-helix	trans	-71.1	-44.6	179.4	-56.6	0	0	0	0	111.2	N250 R256	N250-T252 PolarHBondContact O-N 3.44Å; N250-T252 VanDerWaalsContact O-N 3.12Å; N250-T252 WeakPolarHBondContact OD1-CA 3.25Å; N250-T252 VanDerWaalsContact OD1-CB 3.3Å; N250-T252 WeakPolarHBondContact OD1-CB 3.34Å; N250-T252 PolarHBondContact OD1-N 2.91Å; T252-R256 VanDerWaalsContact O-CG 3.29Å; T252-R256 WeakPolarHBondContact O-CG 3.43Å; T252-R256 PolarHBondContact O-N 2.93Å; T252-R256 VanDerWaalsContact O-N 3.13Å
253	Q	96.2	Very high	95.8	Very high	65 Å²	65	72.4 Å²	72.4	30%	0.304	36%	0.362	S	S	.	.	H	α-helix	trans	-64.2	-43.9	175.4	-72	170.8	-48.3	0	0	111.2	L249 N250 R256 S257	L249-Q253 HydrophobicContact CD1-CB 3.62Å; N250-Q253 VanDerWaalsContact N-OE1 3.15Å; N250-Q253 PolarHBondContact ND2-OE1 3.08Å; N250-Q253 PolarHBondContact O-N 2.98Å; N250-Q253 VanDerWaalsContact O-N 3.11Å; N250-Q253 PolarHBondContact OD1-N 2.85Å; Q253-R256 PolarHBondContact O-N 3.17Å; Q253-S257 PolarHBondContact O-N 3.48Å; Q253-S257 VanDerWaalsContact O-N 3.15Å
254	W	96.6	Very high	95.7	Very high	14 Å²	14	71.4 Å²	71.4	5%	0.053	36%	0.356	C	S	.	.	H	α-helix	trans	-56.5	-53.3	175.2	175.7	-110.4	0	0	0	111.5	L249 N250 R256 S257 L258 V264 L270 L283 I286 V287 Y290	L249-W254 HydrophobicContact CD2-CE3 4.19Å; N250-W254 PolarHBondContact O-N 2.7Å; W254-R256 VanDerWaalsContact C-N 3.29Å; W254-R256 PolarHBondContact O-N 3.48Å; W254-S257 WeakPolarHBondContact O-CB 3.31Å; W254-S257 PolarHBondContact O-N 2.87Å; W254-S257 PolarHBondContact O-OG 2.7Å; W254-L258 HydrophobicContact CZ2-CD2 4.17Å; W254-V264 HydrophobicContact CH2-CG2 4.03Å; W254-V264 HydrophobicContact CZ3-CG2 4.45Å; W254-L270 HydrophobicContact CE3-CD1 4.02Å; W254-L270 HydrophobicContact CZ3-CD1 3.73Å; W254-L283 HydrophobicContact CB-CD1 3.94Å; W254-L283 HydrophobicContact CB-CD2 4.07Å; W254-L283 HydrophobicContact CG-CD2 3.85Å; W254-I286 HydrophobicContact CZ2-CG2 4.03Å; W254-V287 HydrophobicContact CD2-CG2 4.17Å; W254-V287 HydrophobicContact CE3-CG2 3.88Å; W254-V287 HydrophobicContact CH2-CG2 4.19Å; W254-V287 HydrophobicContact CZ2-CG2 4.47Å; W254-V287 HydrophobicContact CZ3-CG1 4.45Å; W254-V287 HydrophobicContact CZ3-CG2 3.88Å; W254-Y290 AromaticContact CH2-CD2 3.87Å; W254-Y290 HydrophobicContact CH2-CD2 3.87Å; W254-Y290 AromaticContact CH2-CE2 3.77Å; W254-Y290 HydrophobicContact CH2-CE2 3.77Å; W254-Y290 HydrophobicContact CZ2-CD2 4.4Å; W254-Y290 AromaticContact CZ2-CE2 3.92Å; W254-Y290 HydrophobicContact CZ2-CE2 3.92Å
255	K	95.3	Very high	95.6	Very high	137 Å²	137	67.6 Å²	67.6	60%	0.596	34%	0.341	S	S	*	.	H	α-helix	trans	-59.5	-37	179.2	-74.5	177.7	178.5	-179.7	0	113.4	M251 S257 L258	M251-K255 HydrophobicContact CG-CD 4.27Å; M251-K255 WeakPolarHBondContact O-CB 3.31Å; M251-K255 VanDerWaalsContact O-CG 3.32Å; M251-K255 WeakPolarHBondContact O-CG 3.12Å; M251-K255 PolarHBondContact O-N 3.3Å; M251-K255 HydrophobicContact SD-CD 4.38Å; M251-K255 HydrophobicContact SD-CG 4.29Å; K255-S257 PolarHBondContact O-N 3.18Å; K255-L258 PolarHBondContact O-N 3.45Å
256	R	95.5	Very high	95.3	Very high	201 Å²	201	74.1 Å²	74.1	76%	0.758	37%	0.366	S	S	*	.	H	α-helix	trans	-68.1	-23.3	176.7	-73.8	175.2	-173.7	173	4.2	113.4	T252 Q253 W254 L258	T252-R256 VanDerWaalsContact O-CG 3.29Å; T252-R256 WeakPolarHBondContact O-CG 3.43Å; T252-R256 PolarHBondContact O-N 2.93Å; T252-R256 VanDerWaalsContact O-N 3.13Å; Q253-R256 PolarHBondContact O-N 3.17Å; W254-R256 VanDerWaalsContact C-N 3.29Å; W254-R256 PolarHBondContact O-N 3.48Å; R256-L258 VanDerWaalsContact C-N 3.28Å
257	S	94.9	Very high	95.2	Very high	14 Å²	14	73.1 Å²	73.1	10%	0.098	36%	0.358	C	S	.	.	H	α-helix	trans	-78.8	-13	176.7	74.6	0	0	0	0	113.1	Q253 W254 K255 N265	Q253-S257 PolarHBondContact O-N 3.48Å; Q253-S257 VanDerWaalsContact O-N 3.15Å; W254-S257 WeakPolarHBondContact O-CB 3.31Å; W254-S257 PolarHBondContact O-N 2.87Å; W254-S257 PolarHBondContact O-OG 2.7Å; K255-S257 PolarHBondContact O-N 3.18Å; S257-N265 WeakPolarHBondContact O-CB 3.49Å; S257-N265 PolarHBondContact O-N 3.13Å
258	L	95.7	Very high	95	Very high	49 Å²	49	71.2 Å²	71.2	26%	0.257	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-89	140	-179	-57.5	177.2	0	0	0	111.5	W254 K255 R256 R263 V264	W254-L258 HydrophobicContact CZ2-CD2 4.17Å; K255-L258 PolarHBondContact O-N 3.45Å; R256-L258 VanDerWaalsContact C-N 3.28Å; L258-R263 CarbonylContact C-O 3.58Å; L258-R263 VanDerWaalsContact CA-O 3.29Å; L258-R263 WeakPolarHBondContact CA-O 3.11Å; L258-V264 HydrophobicContact CD2-CG2 3.82Å
259	D	94.8	Very high	94.8	Very high	26 Å²	26	73 Å²	73	14%	0.139	35%	0.352	C	S	.	.			trans	-76.4	171.9	165.1	78.7	4.1	0	0	0	111.3	E261 G262 R263 N265	D259-E261 PolarHBondContact O-N 3.43Å; D259-E261 VanDerWaalsContact OD1-C 3.28Å; D259-E261 WeakPolarHBondContact OD1-CA 3.32Å; D259-E261 PolarHBondContact OD1-N 3.2Å; D259-G262 PolarHBondContact O-N 2.85Å; D259-G262 PolarHBondContact OD1-N 3.05Å; D259-R263 PolarHBondContact N-O 2.93Å; D259-R263 PolarHBondContact OD1-N 3.17Å; D259-R263 VanDerWaalsContact OD2-CB 3.26Å; D259-R263 WeakPolarHBondContact OD2-CB 3.47Å; D259-R263 WeakPolarHBondContact OD2-CD 3.2Å; D259-R263 WeakPolarHBondContact OD2-CG 3.28Å; D259-N265 WeakPolarHBondContact CB-ND2 3.41Å; D259-N265 PolarHBondContact N-ND2 2.83Å
260	P	95.5	Very high	94.7	Very high	127 Å²	127	73.2 Å²	73.2	83%	0.825	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-26.9	178.3	-26.1	36.7	0	0	0	114.6	G262	P260-G262 VanDerWaalsContact C-N 3.35Å
261	E	96	Very high	94.7	Very high	104 Å²	104	74.1 Å²	74.1	49%	0.486	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-2.1	177.1	-61.5	73.2	-156.5	0	0	113.2	D259 T300 A301	D259-E261 PolarHBondContact O-N 3.43Å; D259-E261 VanDerWaalsContact OD1-C 3.28Å; D259-E261 WeakPolarHBondContact OD1-CA 3.32Å; D259-E261 PolarHBondContact OD1-N 3.2Å; E261-T300 HydrophobicContact CB-CG2 3.71Å; E261-T300 WeakPolarHBondContact O-CB 3.5Å; E261-A301 PolarHBondContact O-N 3.25Å
262	G	93.2	Very high	94.6	Very high	13 Å²	13	74.7 Å²	74.7	13%	0.134	36%	0.356	C	S	.	.	S	Bend	trans	84.2	13.4	178.9	0	0	0	0	0	115.3	D259 P260	D259-G262 PolarHBondContact O-N 2.85Å; D259-G262 PolarHBondContact OD1-N 3.05Å; P260-G262 VanDerWaalsContact C-N 3.35Å
263	R	94.7	Very high	94.7	Very high	98 Å²	98	73.2 Å²	73.2	37%	0.37	34%	0.344	S	S	.	.			trans	-74.9	150.7	171.2	-49.8	-177.7	167.1	132	0.7	110.4	L258 D259 N265 T298 T300	L258-R263 CarbonylContact C-O 3.58Å; L258-R263 VanDerWaalsContact CA-O 3.29Å; L258-R263 WeakPolarHBondContact CA-O 3.11Å; D259-R263 PolarHBondContact N-O 2.93Å; D259-R263 PolarHBondContact OD1-N 3.17Å; D259-R263 VanDerWaalsContact OD2-CB 3.26Å; D259-R263 WeakPolarHBondContact OD2-CB 3.47Å; D259-R263 WeakPolarHBondContact OD2-CD 3.2Å; D259-R263 WeakPolarHBondContact OD2-CG 3.28Å; R263-N265 PolarHBondContact O-N 3.16Å; R263-T298 WeakPolarHBondContact CD-O 3.39Å; R263-T298 PolarHBondContact NE-O 3.3Å; R263-T300 HydrophobicContact CG-CG2 3.86Å; R263-T300 VanDerWaalsContact NE-CG2 3.26Å
264	V	94.4	Very high	94.7	Very high	10 Å²	10	70.1 Å²	70.1	6%	0.061	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-84.9	111	177.7	-179.4	0	0	0	0	110.1	W254 L258 P267 L270 Y290 W297	W254-V264 HydrophobicContact CH2-CG2 4.03Å; W254-V264 HydrophobicContact CZ3-CG2 4.45Å; L258-V264 HydrophobicContact CD2-CG2 3.82Å; V264-P267 HydrophobicContact CG1-CB 4.45Å; V264-L270 HydrophobicContact CG1-CD1 3.39Å; V264-L270 HydrophobicContact CG1-CG 4.49Å; V264-Y290 HydrophobicContact CG2-CD1 4.46Å; V264-Y290 HydrophobicContact CG2-CE1 4.09Å; V264-W297 HydrophobicContact CB-CE3 3.89Å; V264-W297 HydrophobicContact CG1-CE3 3.75Å; V264-W297 HydrophobicContact CG1-CZ3 4.08Å; V264-W297 HydrophobicContact CG2-CE3 3.88Å; V264-W297 HydrophobicContact CG2-CZ3 4.32Å; V264-W297 PolarHBondContact N-O 2.79Å
265	N	90.7	Very high	94.8	Very high	82 Å²	82	69.7 Å²	69.7	44%	0.439	33%	0.328	S	S	.	.	S	Bend	trans	-75.5	131.7	171.8	-71.1	-42.1	0	0	0	110.7	S257 D259 R263	S257-N265 WeakPolarHBondContact O-CB 3.49Å; S257-N265 PolarHBondContact O-N 3.13Å; D259-N265 WeakPolarHBondContact CB-ND2 3.41Å; D259-N265 PolarHBondContact N-ND2 2.83Å; R263-N265 PolarHBondContact O-N 3.16Å
266	R	89.5	Confident	94.9	Very high	188 Å²	188	65 Å²	65	71%	0.709	31%	0.309	S	S	*	.			trans	53.9	63.7	175.2	-49.2	-179.1	101.2	99.7	-0.5	112.5	E268 N269	R266-E268 PolarHBondContact O-N 3.42Å; R266-E268 VanDerWaalsContact O-N 3.08Å; R266-N269 HydrophobicContact CB-CB 4.4Å; R266-N269 WeakPolarHBondContact O-CB 3.27Å; R266-N269 PolarHBondContact O-N 2.92Å
267	P	92.7	Very high	94.9	Very high	33 Å²	33	55.8 Å²	55.8	21%	0.214	28%	0.278	C	S	.	.	H	α-helix	trans	-55.8	-29.6	-177.7	23.4	-34.7	0	0	0	113.4	V264 N269 L270 R271 W297	V264-P267 HydrophobicContact CG1-CB 4.45Å; P267-N269 VanDerWaalsContact C-N 3.3Å; P267-N269 PolarHBondContact O-N 2.71Å; P267-L270 PolarHBondContact O-N 3.26Å; P267-L270 VanDerWaalsContact O-N 3.14Å; P267-R271 WeakPolarHBondContact O-CG 3.4Å; P267-R271 PolarHBondContact O-N 2.98Å; P267-W297 HydrophobicContact CB-CB 4.39Å; P267-W297 HydrophobicContact CB-CD2 4.07Å; P267-W297 HydrophobicContact CB-CE3 3.97Å; P267-W297 HydrophobicContact CB-CG 4.29Å
268	E	93	Very high	95	Very high	104 Å²	104	55.2 Å²	55.2	49%	0.486	27%	0.274	S	S	.	.	H	α-helix	trans	-61.3	-36.1	177.2	-48.4	-52.6	160.6	0	0	113	R266 L270 R271 E272	R266-E268 PolarHBondContact O-N 3.42Å; R266-E268 VanDerWaalsContact O-N 3.08Å; E268-L270 VanDerWaalsContact C-N 3.34Å; E268-L270 PolarHBondContact O-N 3.24Å; E268-R271 PolarHBondContact O-N 2.85Å; E268-R271 IonicContact OE1-NH1 2.84Å; E268-R271 PolarHBondContact OE1-NH1 2.84Å; E268-R271 VanDerWaalsContact OE1-NH1 3.11Å; E268-R271 WeakPolarHBondContact OE2-CD 3.12Å; E268-R271 IonicContact OE2-CZ 3.79Å; E268-R271 IonicContact OE2-NH1 2.88Å; E268-R271 PolarHBondContact OE2-NH1 2.95Å; E268-E272 PolarHBondContact O-N 2.65Å
269	N	93.9	Very high	95.1	Very high	83 Å²	83	53.1 Å²	53.1	44%	0.444	26%	0.263	S	S	.	.	H	α-helix	trans	-67.9	-36.7	176.5	-70.9	16.3	0	0	0	111.3	R266 P267 I273	R266-N269 HydrophobicContact CB-CB 4.4Å; R266-N269 WeakPolarHBondContact O-CB 3.27Å; R266-N269 PolarHBondContact O-N 2.92Å; P267-N269 VanDerWaalsContact C-N 3.3Å; P267-N269 PolarHBondContact O-N 2.71Å; N269-I273 VanDerWaalsContact O-CG1 3.31Å; N269-I273 WeakPolarHBondContact O-CG1 3.44Å; N269-I273 PolarHBondContact O-N 3.03Å; N269-I273 VanDerWaalsContact O-N 3.11Å
270	L	95.6	Very high	95.3	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-68.3	-42.3	174.7	-75.7	-179.2	0	0	0	111.2	L249 W254 V264 P267 E268 E272 I273 I274 W297	L249-L270 HydrophobicContact CD1-CD2 3.76Å; L249-L270 HydrophobicContact CD2-CD2 4.23Å; W254-L270 HydrophobicContact CE3-CD1 4.02Å; W254-L270 HydrophobicContact CZ3-CD1 3.73Å; V264-L270 HydrophobicContact CG1-CD1 3.39Å; V264-L270 HydrophobicContact CG1-CG 4.49Å; P267-L270 PolarHBondContact O-N 3.26Å; P267-L270 VanDerWaalsContact O-N 3.14Å; E268-L270 VanDerWaalsContact C-N 3.34Å; E268-L270 PolarHBondContact O-N 3.24Å; L270-E272 VanDerWaalsContact C-N 3.25Å; L270-E272 PolarHBondContact O-N 2.88Å; L270-I273 PolarHBondContact O-N 3.28Å; L270-I273 VanDerWaalsContact O-N 3.14Å; L270-I274 HydrophobicContact CB-CD1 4.47Å; L270-I274 WeakPolarHBondContact O-CB 3.22Å; L270-I274 WeakPolarHBondContact O-CD1 3.39Å; L270-I274 WeakPolarHBondContact O-CG1 3.5Å; L270-I274 PolarHBondContact O-N 3.49Å; L270-W297 HydrophobicContact CD1-CZ3 4.17Å
271	R	96.4	Very high	95.3	Very high	60 Å²	60	54.8 Å²	54.8	23%	0.226	26%	0.262	C	S	.	.	H	α-helix	trans	-56.1	-43.1	175.2	-75.9	171	170.3	169.1	-3.1	111.3	P267 E268 I274 F275 T486	P267-R271 WeakPolarHBondContact O-CG 3.4Å; P267-R271 PolarHBondContact O-N 2.98Å; E268-R271 PolarHBondContact O-N 2.85Å; E268-R271 IonicContact OE1-NH1 2.84Å; E268-R271 PolarHBondContact OE1-NH1 2.84Å; E268-R271 VanDerWaalsContact OE1-NH1 3.11Å; E268-R271 WeakPolarHBondContact OE2-CD 3.12Å; E268-R271 IonicContact OE2-CZ 3.79Å; E268-R271 IonicContact OE2-NH1 2.88Å; E268-R271 PolarHBondContact OE2-NH1 2.95Å; R271-I274 PolarHBondContact O-N 2.68Å; R271-F275 VanDerWaalsContact O-CB 3.24Å; R271-F275 WeakPolarHBondContact O-CB 3.48Å; R271-F275 PolarHBondContact O-N 3.17Å; R271-T486 HydrophobicContact CB-CG2 4.46Å; R271-T486 WeakPolarHBondContact CD-O 3.24Å; R271-T486 WeakPolarHBondContact CG-O 3.26Å; R271-T486 PolarHBondContact NE-O 3.33Å; R271-T486 WeakPolarHBondContact O-CG2 3.44Å
272	E	96.6	Very high	95.4	Very high	78 Å²	78	56.3 Å²	56.3	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-60.7	-47.9	174	178.7	170.4	-145	0	0	112.8	E268 L270 I274 F275 N276 Y488	E268-E272 PolarHBondContact O-N 2.65Å; L270-E272 VanDerWaalsContact C-N 3.25Å; L270-E272 PolarHBondContact O-N 2.88Å; E272-I274 VanDerWaalsContact C-N 3.34Å; E272-I274 PolarHBondContact O-N 3Å; E272-F275 PolarHBondContact O-N 2.84Å; E272-N276 WeakPolarHBondContact CG-ND2 3.43Å; E272-N276 WeakPolarHBondContact O-CB 3.26Å; E272-N276 PolarHBondContact O-N 3.04Å; E272-N276 PolarHBondContact O-ND2 3.05Å; E272-Y488 HydrophobicContact CB-CD2 4.06Å; E272-Y488 HydrophobicContact CB-CE1 4.13Å; E272-Y488 HydrophobicContact CB-CE2 3.61Å; E272-Y488 HydrophobicContact CG-CE1 3.85Å; E272-Y488 HydrophobicContact CG-CE2 4.05Å; E272-Y488 WeakPolarHBondContact CG-OH 3.45Å; E272-Y488 PolarHBondContact OE1-OH 2.85Å
273	I	96.9	Very high	95.6	Very high	45 Å²	45	55.7 Å²	55.7	23%	0.231	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-45.4	179.3	-67.1	164.3	0	0	0	110.6	L249 N269 L270 N276 G277	L249-I273 HydrophobicContact CB-CG2 4Å; L249-I273 HydrophobicContact CD1-CG2 3.9Å; N269-I273 VanDerWaalsContact O-CG1 3.31Å; N269-I273 WeakPolarHBondContact O-CG1 3.44Å; N269-I273 PolarHBondContact O-N 3.03Å; N269-I273 VanDerWaalsContact O-N 3.11Å; L270-I273 PolarHBondContact O-N 3.28Å; L270-I273 VanDerWaalsContact O-N 3.14Å; I273-N276 PolarHBondContact O-N 3.31Å; I273-G277 PolarHBondContact O-N 3.38Å
274	I	97.9	Very high	95.8	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-43.4	-179.8	-65.2	166.2	0	0	0	110.2	L249 L270 R271 E272 N276 G278 I279 V287 L291 E482 T486	L249-I274 HydrophobicContact CB-CG1 4.37Å; L249-I274 HydrophobicContact CD2-CD1 4.17Å; L249-I274 HydrophobicContact CD2-CG1 3.98Å; L270-I274 HydrophobicContact CB-CD1 4.47Å; L270-I274 WeakPolarHBondContact O-CB 3.22Å; L270-I274 WeakPolarHBondContact O-CD1 3.39Å; L270-I274 WeakPolarHBondContact O-CG1 3.5Å; L270-I274 PolarHBondContact O-N 3.49Å; R271-I274 PolarHBondContact O-N 2.68Å; E272-I274 VanDerWaalsContact C-N 3.34Å; E272-I274 PolarHBondContact O-N 3Å; I274-N276 PolarHBondContact O-N 2.93Å; I274-G278 VanDerWaalsContact O-CA 3.26Å; I274-G278 WeakPolarHBondContact O-CA 3.32Å; I274-G278 PolarHBondContact O-N 3.03Å; I274-I279 HydrophobicContact CB-CG1 4.48Å; I274-I279 HydrophobicContact CD1-CD1 4.28Å; I274-I279 HydrophobicContact CG1-CD1 4.3Å; I274-I279 HydrophobicContact CG1-CG1 4.03Å; I274-I279 HydrophobicContact CG2-CD1 3.97Å; I274-I279 HydrophobicContact CG2-CG1 3.84Å; I274-V287 HydrophobicContact CD1-CG1 3.82Å; I274-L291 HydrophobicContact CD1-CD1 4.44Å; I274-L291 HydrophobicContact CD1-CD2 4.29Å; I274-L291 HydrophobicContact CG2-CD1 4.29Å; I274-E482 HydrophobicContact CG2-CB 3.94Å; I274-T486 HydrophobicContact CB-CG2 3.68Å; I274-T486 HydrophobicContact CG2-CG2 3.44Å; I274-T486 VanDerWaalsContact CG2-CG2 3.44Å
275	F	97.8	Very high	95.9	Very high	5 Å²	5	52.8 Å²	52.8	2%	0.022	26%	0.261	C	S	.	.	H	α-helix	trans	-60.7	-44.4	177.2	177.8	-93.3	0	0	0	112	R271 E272 A483 T486 Y488 F493 T540	R271-F275 VanDerWaalsContact O-CB 3.24Å; R271-F275 WeakPolarHBondContact O-CB 3.48Å; R271-F275 PolarHBondContact O-N 3.17Å; E272-F275 PolarHBondContact O-N 2.84Å; F275-A483 HydrophobicContact CD2-CB 4.15Å; F275-T486 HydrophobicContact CB-CG2 4.23Å; F275-Y488 HydrophobicContact CB-CD1 3.86Å; F275-Y488 HydrophobicContact CB-CG 4.15Å; F275-Y488 AromaticContact CD1-CD1 3.54Å; F275-Y488 HydrophobicContact CD1-CD1 3.54Å; F275-Y488 HydrophobicContact CD1-CE1 4.2Å; F275-Y488 HydrophobicContact CD2-CD1 4.38Å; F275-Y488 HydrophobicContact CE1-CD1 4.14Å; F275-Y488 AromaticContact CG-CD1 3.67Å; F275-Y488 HydrophobicContact CG-CD1 3.67Å; F275-Y488 HydrophobicContact CG-CG 4.25Å; F275-F493 AromaticContact CE2-CD1 3.78Å; F275-F493 HydrophobicContact CE2-CD1 3.78Å; F275-F493 AromaticContact CE2-CD2 3.93Å; F275-F493 HydrophobicContact CE2-CD2 3.93Å; F275-F493 AromaticContact CE2-CE1 3.72Å; F275-F493 HydrophobicContact CE2-CE1 3.72Å; F275-F493 AromaticContact CE2-CE2 3.88Å; F275-F493 HydrophobicContact CE2-CE2 3.88Å; F275-F493 AromaticContact CE2-CG 3.89Å; F275-F493 HydrophobicContact CE2-CG 3.89Å; F275-F493 AromaticContact CE2-CZ 3.77Å; F275-F493 HydrophobicContact CE2-CZ 3.77Å; F275-F493 HydrophobicContact CZ-CD1 4.43Å; F275-F493 HydrophobicContact CZ-CD2 4.02Å; F275-F493 HydrophobicContact CZ-CE1 4.04Å; F275-F493 AromaticContact CZ-CE2 3.59Å; F275-F493 HydrophobicContact CZ-CE2 3.59Å; F275-F493 HydrophobicContact CZ-CG 4.43Å; F275-F493 AromaticContact CZ-CZ 3.6Å; F275-F493 HydrophobicContact CZ-CZ 3.6Å; F275-T540 HydrophobicContact CE1-CG2 3.88Å; F275-T540 HydrophobicContact CZ-CG2 4.26Å; F275-T540 WeakPolarHBondContact CZ-OG1 3.21Å
276	N	96.5	Very high	96.3	Very high	37 Å²	37	52.3 Å²	52.3	20%	0.198	26%	0.257	C	S	.	.	H	α-helix	trans	-79.3	-25.9	-175.6	-70.6	-47.4	0	0	0	113.9	R245 S246 E272 I273 I274	R245-N276 WeakPolarHBondContact CA-O 3.26Å; R245-N276 VanDerWaalsContact CD-O 3.27Å; R245-N276 WeakPolarHBondContact CD-O 3.41Å; R245-N276 PolarHBondContact NE-O 3.03Å; S246-N276 PolarHBondContact N-O 2.66Å; S246-N276 VanDerWaalsContact OG-C 3.25Å; S246-N276 WeakPolarHBondContact OG-CB 3.48Å; S246-N276 PolarHBondContact OG-O 3.33Å; E272-N276 WeakPolarHBondContact CG-ND2 3.43Å; E272-N276 WeakPolarHBondContact O-CB 3.26Å; E272-N276 PolarHBondContact O-N 3.04Å; E272-N276 PolarHBondContact O-ND2 3.05Å; I273-N276 PolarHBondContact O-N 3.31Å; I274-N276 PolarHBondContact O-N 2.93Å
277	G	96.2	Very high	96.6	Very high	9 Å²	9	43.3 Å²	43.3	9%	0.093	22%	0.223	C	C	.	.	H	α-helix	trans	-131	-16.8	-171.7	0	0	0	0	0	116.7	S246 P248 I273	S246-G277 VanDerWaalsContact O-CA 3.24Å; S246-G277 WeakPolarHBondContact O-CA 3.26Å; S246-G277 WeakPolarHBondContact OG-CA 3.4Å; S246-G277 PolarHBondContact OG-N 3.49Å; P248-G277 WeakPolarHBondContact CA-O 3.49Å; P248-G277 WeakPolarHBondContact CB-O 3.34Å; I273-G277 PolarHBondContact O-N 3.38Å
278	G	97.5	Very high	96.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.01	21%	0.213	C	C	.	.			trans	76.9	-161.9	-168.8	0	0	0	0	0	112.8	P248 L249 I274	P248-G278 CarbonylContact C-O 3.46Å; P248-G278 WeakPolarHBondContact CA-O 3.47Å; L249-G278 PolarHBondContact N-O 3Å; I274-G278 VanDerWaalsContact O-CA 3.26Å; I274-G278 WeakPolarHBondContact O-CA 3.32Å; I274-G278 PolarHBondContact O-N 3.03Å
279	I	98.4	Very high	97.2	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-126.6	140.4	-174.4	-50.3	176.4	0	0	0	111	I274 L283 K284 V287 L291 E482	I274-I279 HydrophobicContact CB-CG1 4.48Å; I274-I279 HydrophobicContact CD1-CD1 4.28Å; I274-I279 HydrophobicContact CG1-CD1 4.3Å; I274-I279 HydrophobicContact CG1-CG1 4.03Å; I274-I279 HydrophobicContact CG2-CD1 3.97Å; I274-I279 HydrophobicContact CG2-CG1 3.84Å; I279-L283 HydrophobicContact CG2-CB 3.59Å; I279-K284 HydrophobicContact CB-CG 4.17Å; I279-K284 HydrophobicContact CG2-CG 4.14Å; I279-K284 WeakPolarHBondContact O-CE 3.46Å; I279-K284 PolarHBondContact O-NZ 3.44Å; I279-V287 HydrophobicContact CD1-CB 3.95Å; I279-V287 HydrophobicContact CD1-CG1 3.63Å; I279-V287 HydrophobicContact CG2-CG2 4.45Å; I279-L291 HydrophobicContact CD1-CD1 3.9Å; I279-E482 HydrophobicContact CD1-CB 4.42Å; I279-E482 HydrophobicContact CD1-CG 3.68Å; I279-E482 HydrophobicContact CG1-CG 4.01Å; I279-E482 PolarHBondContact N-OE2 3.4Å
280	E	97.8	Very high	97.3	Very high	79 Å²	79	34.6 Å²	34.6	37%	0.369	18%	0.176	S	C	.	.			trans	-61.1	142.8	169.2	-75.6	-176.9	164.8	0	0	111.9	P248 L249 N250 M251 D282 L283 K284	P248-E280 HydrophobicContact CB-CG 4.39Å; P248-E280 HydrophobicContact CG-CG 4.15Å; L249-E280 WeakPolarHBondContact O-CG 3.17Å; L249-E280 PolarHBondContact O-N 3.07Å; L249-E280 VanDerWaalsContact O-N 3.07Å; N250-E280 VanDerWaalsContact CA-CD 3.48Å; N250-E280 WeakPolarHBondContact CA-OE2 3.45Å; N250-E280 HydrophobicContact CB-CG 4.3Å; N250-E280 VanDerWaalsContact CB-OE1 3.27Å; N250-E280 WeakPolarHBondContact CB-OE1 3.41Å; N250-E280 VanDerWaalsContact CB-OE2 3.31Å; N250-E280 WeakPolarHBondContact CB-OE2 3.36Å; M251-E280 PolarHBondContact N-OE2 2.75Å; E280-D282 VanDerWaalsContact C-N 3.26Å; E280-D282 PolarHBondContact O-N 2.96Å; E280-D282 VanDerWaalsContact O-N 3.12Å; E280-L283 PolarHBondContact O-N 2.78Å; E280-K284 PolarHBondContact O-N 3.25Å
281	N	96.6	Very high	97.4	Very high	108 Å²	108	34.8 Å²	34.8	58%	0.578	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-39.2	-172.8	-73.9	-14.3	0	0	0	114	L283 K284 P285	N281-L283 PolarHBondContact O-N 3.23Å; N281-K284 PolarHBondContact O-N 2.61Å; N281-K284 WeakPolarHBondContact OD1-CE 3.43Å; N281-P285 WeakPolarHBondContact O-CD 3.09Å
282	D	96.3	Very high	97.5	Very high	136 Å²	136	32.2 Å²	32.2	73%	0.727	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.6	-177.7	-62	-19.6	0	0	0	113	E280	E280-D282 VanDerWaalsContact C-N 3.26Å; E280-D282 PolarHBondContact O-N 2.96Å; E280-D282 VanDerWaalsContact O-N 3.12Å
283	L	97.9	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-23.4	178.7	-78.6	176.5	0	0	0	113.1	L249 N250 M251 W254 I279 E280 N281 P285 I286 V287	L249-L283 HydrophobicContact CG-CD1 4.33Å; L249-L283 WeakPolarHBondContact O-CD1 3.49Å; N250-L283 VanDerWaalsContact C-CD1 3.44Å; M251-L283 HydrophobicContact CE-CD2 3.39Å; M251-L283 HydrophobicContact CE-CG 3.98Å; M251-L283 HydrophobicContact SD-CD2 3.78Å; W254-L283 HydrophobicContact CB-CD1 3.94Å; W254-L283 HydrophobicContact CB-CD2 4.07Å; W254-L283 HydrophobicContact CG-CD2 3.85Å; I279-L283 HydrophobicContact CG2-CB 3.59Å; E280-L283 PolarHBondContact O-N 2.78Å; N281-L283 PolarHBondContact O-N 3.23Å; L283-P285 VanDerWaalsContact C-CD 3.46Å; L283-I286 PolarHBondContact O-N 3.01Å; L283-V287 HydrophobicContact CB-CG2 4.15Å; L283-V287 WeakPolarHBondContact O-CG2 3.38Å; L283-V287 PolarHBondContact O-N 2.93Å
284	K	98.4	Very high	97.4	Very high	7 Å²	7	28.9 Å²	28.9	3%	0.03	16%	0.162	C	C	.	.	H	α-helix	trans	-51.5	-46.4	-176	-58.7	-173.7	-174	-60.6	0	112.8	I279 E280 N281 I286 V287 W288 V398 M478 E482	I279-K284 HydrophobicContact CB-CG 4.17Å; I279-K284 HydrophobicContact CG2-CG 4.14Å; I279-K284 WeakPolarHBondContact O-CE 3.46Å; I279-K284 PolarHBondContact O-NZ 3.44Å; E280-K284 PolarHBondContact O-N 3.25Å; N281-K284 PolarHBondContact O-N 2.61Å; N281-K284 WeakPolarHBondContact OD1-CE 3.43Å; K284-I286 PolarHBondContact O-N 3.01Å; K284-V287 PolarHBondContact O-N 3.13Å; K284-W288 WeakPolarHBondContact O-CB 3.41Å; K284-W288 VanDerWaalsContact O-CD1 3.24Å; K284-W288 PolarHBondContact O-N 3.18Å; K284-V398 HydrophobicContact CB-CG1 3.63Å; K284-M478 HydrophobicContact CD-CB 4.46Å; K284-M478 HydrophobicContact CD-SD 3.71Å; K284-E482 WeakPolarHBondContact CD-OE1 3.45Å; K284-E482 WeakPolarHBondContact CG-OE1 3.36Å; K284-E482 IonicContact NZ-OE1 3.04Å; K284-E482 PolarHBondContact NZ-OE1 3.17Å; K284-E482 IonicContact NZ-OE2 3.45Å; K284-E482 PolarHBondContact NZ-OE2 3.48Å
285	P	98.2	Very high	97.4	Very high	41 Å²	41	29.4 Å²	29.4	27%	0.266	16%	0.164	S	C	.	.	H	α-helix	trans	-62.6	-21	-178.8	-21.3	33.6	0	0	0	114.7	N281 L283 K289 V398	N281-P285 WeakPolarHBondContact O-CD 3.09Å; L283-P285 VanDerWaalsContact C-CD 3.46Å; P285-K289 VanDerWaalsContact O-CE 3.27Å; P285-K289 WeakPolarHBondContact O-CE 3.29Å; P285-K289 WeakPolarHBondContact O-CG 3.44Å; P285-V398 HydrophobicContact CG-CG1 4.26Å; P285-V398 WeakPolarHBondContact CG-O 3.42Å
286	I	97.4	Very high	97.3	Very high	71 Å²	71	32 Å²	32	36%	0.364	18%	0.176	S	C	.	.	H	α-helix	trans	-92.6	-53.8	178.9	-58.6	170.5	0	0	0	109.4	W254 L283 K284 W288 K289 Y290	W254-I286 HydrophobicContact CZ2-CG2 4.03Å; L283-I286 PolarHBondContact O-N 3.01Å; K284-I286 PolarHBondContact O-N 3.01Å; I286-W288 PolarHBondContact O-N 3.34Å; I286-K289 WeakPolarHBondContact O-CB 3.45Å; I286-K289 PolarHBondContact O-N 2.94Å; I286-Y290 HydrophobicContact CG2-CE2 4.4Å; I286-Y290 WeakPolarHBondContact O-CD2 3.4Å
287	V	97.9	Very high	97.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-71.1	-32.3	-171.8	-177.1	0	0	0	0	111.8	L249 W254 I274 I279 L283 K284 K289 Y290 L291	L249-V287 HydrophobicContact CD2-CG2 4.39Å; W254-V287 HydrophobicContact CD2-CG2 4.17Å; W254-V287 HydrophobicContact CE3-CG2 3.88Å; W254-V287 HydrophobicContact CH2-CG2 4.19Å; W254-V287 HydrophobicContact CZ2-CG2 4.47Å; W254-V287 HydrophobicContact CZ3-CG1 4.45Å; W254-V287 HydrophobicContact CZ3-CG2 3.88Å; I274-V287 HydrophobicContact CD1-CG1 3.82Å; I279-V287 HydrophobicContact CD1-CB 3.95Å; I279-V287 HydrophobicContact CD1-CG1 3.63Å; I279-V287 HydrophobicContact CG2-CG2 4.45Å; L283-V287 HydrophobicContact CB-CG2 4.15Å; L283-V287 WeakPolarHBondContact O-CG2 3.38Å; L283-V287 PolarHBondContact O-N 2.93Å; K284-V287 PolarHBondContact O-N 3.13Å; V287-K289 PolarHBondContact O-N 3Å; V287-Y290 PolarHBondContact O-N 3.4Å; V287-L291 HydrophobicContact CG1-CD1 4.23Å; V287-L291 HydrophobicContact CG1-CG 4.29Å; V287-L291 PolarHBondContact O-N 2.94Å
288	W	98.4	Very high	97.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.6	-33.4	176	-77.7	26.2	0	0	0	112.3	K284 I286 Y290 L291 L292 L394 I395 V398 I399 M478 W481 E482 W485	K284-W288 WeakPolarHBondContact O-CB 3.41Å; K284-W288 VanDerWaalsContact O-CD1 3.24Å; K284-W288 PolarHBondContact O-N 3.18Å; I286-W288 PolarHBondContact O-N 3.34Å; W288-Y290 PolarHBondContact O-N 2.88Å; W288-L291 PolarHBondContact O-N 3.18Å; W288-L292 VanDerWaalsContact O-CB 3.31Å; W288-L292 WeakPolarHBondContact O-CB 3.37Å; W288-L292 WeakPolarHBondContact O-CG 3.2Å; W288-L292 PolarHBondContact O-N 3.16Å; W288-L394 HydrophobicContact CH2-CD2 4.34Å; W288-L394 HydrophobicContact CH2-CG 4.16Å; W288-I395 HydrophobicContact CZ3-CG1 4.24Å; W288-V398 HydrophobicContact CD2-CB 4.47Å; W288-V398 HydrophobicContact CD2-CG1 3.93Å; W288-V398 HydrophobicContact CE3-CB 3.96Å; W288-V398 HydrophobicContact CE3-CG1 3.89Å; W288-V398 HydrophobicContact CE3-CG2 4.24Å; W288-V398 HydrophobicContact CG-CG1 4.49Å; W288-V398 HydrophobicContact CH2-CB 4.34Å; W288-V398 HydrophobicContact CH2-CG2 3.7Å; W288-V398 HydrophobicContact CZ2-CG2 4.14Å; W288-V398 HydrophobicContact CZ3-CB 3.88Å; W288-V398 HydrophobicContact CZ3-CG1 4.25Å; W288-V398 HydrophobicContact CZ3-CG2 3.74Å; W288-I399 HydrophobicContact CB-CD1 4.12Å; W288-M478 HydrophobicContact CH2-CB 4.37Å; W288-M478 HydrophobicContact CH2-CG 3.79Å; W288-M478 HydrophobicContact CZ2-CB 3.91Å; W288-M478 HydrophobicContact CZ2-CG 3.73Å; W288-W481 HydrophobicContact CH2-CE3 4.3Å; W288-E482 HydrophobicContact CZ2-CG 4.48Å; W288-E482 PolarHBondContact NE1-OE1 3.44Å; W288-W485 HydrophobicContact CD2-CH2 4.11Å; W288-W485 AromaticContact CD2-CZ3 3.54Å; W288-W485 HydrophobicContact CD2-CZ3 3.54Å; W288-W485 AromaticContact CE2-CZ3 3.66Å; W288-W485 AromaticContact CE3-CH2 3.79Å; W288-W485 HydrophobicContact CE3-CH2 3.79Å; W288-W485 AromaticContact CE3-CZ3 3.71Å; W288-W485 HydrophobicContact CE3-CZ3 3.71Å; W288-W485 AromaticContact CG-CZ3 3.97Å; W288-W485 HydrophobicContact CG-CZ3 3.97Å; W288-W485 AromaticContact CH2-CH2 3.86Å; W288-W485 HydrophobicContact CH2-CH2 3.86Å; W288-W485 HydrophobicContact CH2-CZ3 4.05Å; W288-W485 HydrophobicContact CZ2-CH2 4.19Å; W288-W485 AromaticContact CZ2-CZ3 3.92Å; W288-W485 HydrophobicContact CZ2-CZ3 3.92Å; W288-W485 AromaticContact CZ3-CH2 3.67Å; W288-W485 HydrophobicContact CZ3-CH2 3.67Å; W288-W485 AromaticContact CZ3-CZ3 3.97Å; W288-W485 HydrophobicContact CZ3-CZ3 3.97Å
289	K	98.2	Very high	97.1	Very high	22 Å²	22	39.8 Å²	39.8	10%	0.096	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-36.4	176	-59.4	178.7	173.7	-177.4	0	111.8	P285 I286 V287 G293 Y294 Y295 I399 D404	P285-K289 VanDerWaalsContact O-CE 3.27Å; P285-K289 WeakPolarHBondContact O-CE 3.29Å; P285-K289 WeakPolarHBondContact O-CG 3.44Å; I286-K289 WeakPolarHBondContact O-CB 3.45Å; I286-K289 PolarHBondContact O-N 2.94Å; V287-K289 PolarHBondContact O-N 3Å; K289-G293 PolarHBondContact O-N 3.31Å; K289-Y294 HydrophobicContact CB-CD1 3.98Å; K289-Y294 HydrophobicContact CD-CD1 4.14Å; K289-Y294 HydrophobicContact CD-CE1 4.23Å; K289-Y294 HydrophobicContact CG-CD1 3.92Å; K289-Y294 HydrophobicContact CG-CE1 4.46Å; K289-Y294 WeakPolarHBondContact O-CA 3.36Å; K289-Y294 WeakPolarHBondContact O-CB 3.41Å; K289-Y294 PolarHBondContact O-N 3.46Å; K289-Y295 HydrophobicContact CB-CD1 4.34Å; K289-Y295 HydrophobicContact CB-CD2 3.94Å; K289-Y295 HydrophobicContact CB-CE2 4.4Å; K289-Y295 HydrophobicContact CB-CG 3.9Å; K289-Y295 HydrophobicContact CD-CD2 4.11Å; K289-Y295 HydrophobicContact CD-CE1 4.22Å; K289-Y295 HydrophobicContact CD-CE2 3.7Å; K289-Y295 PolarHBondContact O-N 3.5Å; K289-I399 HydrophobicContact CG-CD1 4.47Å; K289-D404 WeakPolarHBondContact CE-OD2 3.45Å; K289-D404 IonicContact NZ-OD1 2.85Å; K289-D404 IonicContact NZ-OD2 2.65Å; K289-D404 PolarHBondContact NZ-OD2 3.29Å
290	Y	97.5	Very high	97.1	Very high	14 Å²	14	40.2 Å²	40.2	6%	0.055	22%	0.215	C	C	.	.	H	α-helix	trans	-77	-43.3	176.4	-69.2	-89.4	0	0	0	112.4	W254 V264 I286 V287 W288 L292 G293 Y295 W297	W254-Y290 AromaticContact CH2-CD2 3.87Å; W254-Y290 HydrophobicContact CH2-CD2 3.87Å; W254-Y290 AromaticContact CH2-CE2 3.77Å; W254-Y290 HydrophobicContact CH2-CE2 3.77Å; W254-Y290 HydrophobicContact CZ2-CD2 4.4Å; W254-Y290 AromaticContact CZ2-CE2 3.92Å; W254-Y290 HydrophobicContact CZ2-CE2 3.92Å; V264-Y290 HydrophobicContact CG2-CD1 4.46Å; V264-Y290 HydrophobicContact CG2-CE1 4.09Å; I286-Y290 HydrophobicContact CG2-CE2 4.4Å; I286-Y290 WeakPolarHBondContact O-CD2 3.4Å; V287-Y290 PolarHBondContact O-N 3.4Å; W288-Y290 PolarHBondContact O-N 2.88Å; Y290-L292 VanDerWaalsContact C-N 3.29Å; Y290-L292 PolarHBondContact O-N 3.08Å; Y290-G293 PolarHBondContact O-N 3.42Å; Y290-G293 VanDerWaalsContact O-N 3.09Å; Y290-Y295 HydrophobicContact CD2-CD2 4.21Å; Y290-Y295 HydrophobicContact CE1-CD2 4.46Å; Y290-Y295 AromaticContact CE2-CD2 3.66Å; Y290-Y295 HydrophobicContact CE2-CD2 3.66Å; Y290-Y295 HydrophobicContact CE2-CG 4.42Å; Y290-Y295 AromaticContact CZ-CD2 3.81Å; Y290-W297 VanDerWaalsContact CB-CZ2 3.48Å; Y290-W297 HydrophobicContact CD1-CD2 4.06Å; Y290-W297 AromaticContact CD1-CE3 3.97Å; Y290-W297 HydrophobicContact CD1-CE3 3.97Å; Y290-W297 HydrophobicContact CD1-CG 4.43Å; Y290-W297 HydrophobicContact CD1-CZ3 4.39Å; Y290-W297 HydrophobicContact CG-CD2 4.47Å; Y290-W297 HydrophobicContact CG-CE3 4.26Å; Y290-W297 HydrophobicContact CG-CH2 4.42Å; Y290-W297 HydrophobicContact CG-CZ3 4.23Å; Y290-W297 PolarHBondContact O-NE1 3.33Å
291	L	97.4	Very high	97	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.052	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-36.2	179.2	-71.4	175.4	0	0	0	112.5	I274 I279 V287 W288 G293 W297 W485 T486	I274-L291 HydrophobicContact CD1-CD1 4.44Å; I274-L291 HydrophobicContact CD1-CD2 4.29Å; I274-L291 HydrophobicContact CG2-CD1 4.29Å; I279-L291 HydrophobicContact CD1-CD1 3.9Å; V287-L291 HydrophobicContact CG1-CD1 4.23Å; V287-L291 HydrophobicContact CG1-CG 4.29Å; V287-L291 PolarHBondContact O-N 2.94Å; W288-L291 PolarHBondContact O-N 3.18Å; L291-G293 VanDerWaalsContact C-N 3.28Å; L291-W297 HydrophobicContact CD2-CH2 4.22Å; L291-W297 HydrophobicContact CD2-CZ2 4.05Å; L291-W297 HydrophobicContact CG-CZ2 4.5Å; L291-W485 HydrophobicContact CB-CB 4.01Å; L291-W485 HydrophobicContact CB-CE3 4.28Å; L291-W485 HydrophobicContact CD1-CE3 4.38Å; L291-T486 HydrophobicContact CD2-CG2 4.3Å
292	L	97.2	Very high	97	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.031	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	4.6	177.2	-64.9	170.6	0	0	0	112.8	W288 Y290 Y294 I395 C408 G411 L412 W485	W288-L292 VanDerWaalsContact O-CB 3.31Å; W288-L292 WeakPolarHBondContact O-CB 3.37Å; W288-L292 WeakPolarHBondContact O-CG 3.2Å; W288-L292 PolarHBondContact O-N 3.16Å; Y290-L292 VanDerWaalsContact C-N 3.29Å; Y290-L292 PolarHBondContact O-N 3.08Å; L292-Y294 PolarHBondContact O-N 3.22Å; L292-I395 HydrophobicContact CD1-CD1 4.08Å; L292-I395 HydrophobicContact CD1-CG1 4.48Å; L292-C408 HydrophobicContact CD1-CB 3.65Å; L292-G411 WeakPolarHBondContact O-CA 3.49Å; L292-L412 HydrophobicContact CD2-CB 3.97Å; L292-L412 HydrophobicContact CD2-CD1 4.25Å; L292-W485 HydrophobicContact CD1-CH2 3.98Å; L292-W485 HydrophobicContact CD1-CZ2 4.45Å; L292-W485 HydrophobicContact CD1-CZ3 4.08Å; L292-W485 HydrophobicContact CD2-CD2 3.77Å; L292-W485 HydrophobicContact CD2-CE3 4.08Å; L292-W485 HydrophobicContact CD2-CG 4.25Å; L292-W485 HydrophobicContact CD2-CH2 4.08Å; L292-W485 HydrophobicContact CD2-CZ2 3.79Å; L292-W485 HydrophobicContact CD2-CZ3 4.23Å; L292-W485 HydrophobicContact CG-CD2 4.36Å; L292-W485 HydrophobicContact CG-CE3 4.18Å; L292-W485 HydrophobicContact CG-CH2 4.31Å; L292-W485 HydrophobicContact CG-CZ3 4.16Å
293	G	95.8	Very high	97.1	Very high	41 Å²	41	36.2 Å²	36.2	42%	0.423	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	11.7	174.7	0	0	0	0	0	115.3	K289 Y290 L291 Q296	K289-G293 PolarHBondContact O-N 3.31Å; Y290-G293 PolarHBondContact O-N 3.42Å; Y290-G293 VanDerWaalsContact O-N 3.09Å; L291-G293 VanDerWaalsContact C-N 3.28Å; G293-Q296 PolarHBondContact O-NE2 3.49Å; G293-Q296 VanDerWaalsContact O-NE2 3.14Å
294	Y	97.3	Very high	97.1	Very high	12 Å²	12	36.3 Å²	36.3	5%	0.047	20%	0.197	C	C	.	.	S	Bend	trans	-69.7	-50.4	171.6	172.3	-149.1	0	0	0	110.5	K289 L292 L307 K308 K311 D404 W407	K289-Y294 HydrophobicContact CB-CD1 3.98Å; K289-Y294 HydrophobicContact CD-CD1 4.14Å; K289-Y294 HydrophobicContact CD-CE1 4.23Å; K289-Y294 HydrophobicContact CG-CD1 3.92Å; K289-Y294 HydrophobicContact CG-CE1 4.46Å; K289-Y294 WeakPolarHBondContact O-CA 3.36Å; K289-Y294 WeakPolarHBondContact O-CB 3.41Å; K289-Y294 PolarHBondContact O-N 3.46Å; L292-Y294 PolarHBondContact O-N 3.22Å; Y294-L307 VanDerWaalsContact O-CD2 3.26Å; Y294-L307 WeakPolarHBondContact O-CD2 3.03Å; Y294-K308 WeakPolarHBondContact OH-CG 3.3Å; Y294-K311 HydrophobicContact CE2-CB 4.01Å; Y294-K311 HydrophobicContact CE2-CG 4.13Å; Y294-D404 HydrophobicContact CE1-CB 4.04Å; Y294-D404 VanDerWaalsContact CE1-OD1 3.25Å; Y294-D404 WeakPolarHBondContact CE1-OD1 3.48Å; Y294-D404 PolarHBondContact OH-OD1 2.94Å; Y294-W407 HydrophobicContact CD1-CB 4.2Å; Y294-W407 HydrophobicContact CD2-CB 3.61Å; Y294-W407 HydrophobicContact CD2-CG 4.3Å; Y294-W407 HydrophobicContact CE1-CB 4.3Å; Y294-W407 HydrophobicContact CE2-CB 3.74Å; Y294-W407 HydrophobicContact CE2-CG 4.06Å; Y294-W407 HydrophobicContact CG-CB 3.86Å
295	Y	97.2	Very high	97.1	Very high	13 Å²	13	41.1 Å²	41.1	5%	0.051	22%	0.22	C	C	.	.	S	Bend	trans	-91.2	142.3	169.2	-75.7	1.3	0	0	0	110.7	K289 Y290 N304 K308	K289-Y295 HydrophobicContact CB-CD1 4.34Å; K289-Y295 HydrophobicContact CB-CD2 3.94Å; K289-Y295 HydrophobicContact CB-CE2 4.4Å; K289-Y295 HydrophobicContact CB-CG 3.9Å; K289-Y295 HydrophobicContact CD-CD2 4.11Å; K289-Y295 HydrophobicContact CD-CE1 4.22Å; K289-Y295 HydrophobicContact CD-CE2 3.7Å; K289-Y295 PolarHBondContact O-N 3.5Å; Y290-Y295 HydrophobicContact CD2-CD2 4.21Å; Y290-Y295 HydrophobicContact CE1-CD2 4.46Å; Y290-Y295 AromaticContact CE2-CD2 3.66Å; Y290-Y295 HydrophobicContact CE2-CD2 3.66Å; Y290-Y295 HydrophobicContact CE2-CG 4.42Å; Y290-Y295 AromaticContact CZ-CD2 3.81Å; Y295-N304 HydrophobicContact CD1-CB 4.19Å; Y295-N304 HydrophobicContact CD2-CB 4.23Å; Y295-N304 HydrophobicContact CE1-CB 4.35Å; Y295-N304 HydrophobicContact CE2-CB 4.42Å; Y295-N304 HydrophobicContact CG-CB 4.13Å; Y295-K308 HydrophobicContact CE1-CB 4.27Å
296	Q	95.5	Very high	97.1	Very high	60 Å²	60	45.1 Å²	45.1	28%	0.28	23%	0.23	S	C	.	.			trans	-92	129.7	179.3	-55.6	-55.7	-41	0	0	109.8	G293 T298 Y299 N304 L307	G293-Q296 PolarHBondContact O-NE2 3.49Å; G293-Q296 VanDerWaalsContact O-NE2 3.14Å; Q296-T298 PolarHBondContact O-N 3.45Å; Q296-Y299 HydrophobicContact CB-CD1 3.63Å; Q296-Y299 HydrophobicContact CB-CD2 3.77Å; Q296-Y299 HydrophobicContact CB-CE1 3.99Å; Q296-Y299 HydrophobicContact CB-CE2 4.12Å; Q296-Y299 HydrophobicContact CB-CG 3.52Å; Q296-Y299 HydrophobicContact CG-CD1 4.18Å; Q296-Y299 HydrophobicContact CG-CD2 3.82Å; Q296-Y299 HydrophobicContact CG-CE1 4.06Å; Q296-Y299 HydrophobicContact CG-CE2 3.7Å; Q296-Y299 HydrophobicContact CG-CG 4.07Å; Q296-Y299 PolarHBondContact O-N 2.95Å; Q296-N304 PolarHBondContact N-OD1 3.31Å; Q296-N304 PolarHBondContact O-ND2 2.85Å; Q296-L307 HydrophobicContact CG-CD2 4.37Å
297	W	94.7	Very high	97.1	Very high	31 Å²	31	43.2 Å²	43.2	12%	0.117	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-33	179.6	-60.6	94.3	0	0	0	113.1	V264 P267 L270 Y290 L291	V264-W297 HydrophobicContact CB-CE3 3.89Å; V264-W297 HydrophobicContact CG1-CE3 3.75Å; V264-W297 HydrophobicContact CG1-CZ3 4.08Å; V264-W297 HydrophobicContact CG2-CE3 3.88Å; V264-W297 HydrophobicContact CG2-CZ3 4.32Å; V264-W297 PolarHBondContact N-O 2.79Å; P267-W297 HydrophobicContact CB-CB 4.39Å; P267-W297 HydrophobicContact CB-CD2 4.07Å; P267-W297 HydrophobicContact CB-CE3 3.97Å; P267-W297 HydrophobicContact CB-CG 4.29Å; L270-W297 HydrophobicContact CD1-CZ3 4.17Å; Y290-W297 VanDerWaalsContact CB-CZ2 3.48Å; Y290-W297 HydrophobicContact CD1-CD2 4.06Å; Y290-W297 AromaticContact CD1-CE3 3.97Å; Y290-W297 HydrophobicContact CD1-CE3 3.97Å; Y290-W297 HydrophobicContact CD1-CG 4.43Å; Y290-W297 HydrophobicContact CD1-CZ3 4.39Å; Y290-W297 HydrophobicContact CG-CD2 4.47Å; Y290-W297 HydrophobicContact CG-CE3 4.26Å; Y290-W297 HydrophobicContact CG-CH2 4.42Å; Y290-W297 HydrophobicContact CG-CZ3 4.23Å; Y290-W297 PolarHBondContact O-NE1 3.33Å; L291-W297 HydrophobicContact CD2-CH2 4.22Å; L291-W297 HydrophobicContact CD2-CZ2 4.05Å; L291-W297 HydrophobicContact CG-CZ2 4.5Å
298	T	94.5	Very high	97.1	Very high	105 Å²	105	45.7 Å²	45.7	64%	0.644	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-12.4	-177.3	53.4	0	0	0	0	113.7	R263 Q296	R263-T298 WeakPolarHBondContact CD-O 3.39Å; R263-T298 PolarHBondContact NE-O 3.3Å; Q296-T298 PolarHBondContact O-N 3.45Å
299	Y	96.8	Very high	97.1	Very high	73 Å²	73	47.8 Å²	47.8	29%	0.286	25%	0.249	S	C	.	.	S	Bend	trans	-82	145	-178.4	-77.6	18.3	0	0	0	110.6	Q296 E303 N304 L307	Q296-Y299 HydrophobicContact CB-CD1 3.63Å; Q296-Y299 HydrophobicContact CB-CD2 3.77Å; Q296-Y299 HydrophobicContact CB-CE1 3.99Å; Q296-Y299 HydrophobicContact CB-CE2 4.12Å; Q296-Y299 HydrophobicContact CB-CG 3.52Å; Q296-Y299 HydrophobicContact CG-CD1 4.18Å; Q296-Y299 HydrophobicContact CG-CD2 3.82Å; Q296-Y299 HydrophobicContact CG-CE1 4.06Å; Q296-Y299 HydrophobicContact CG-CE2 3.7Å; Q296-Y299 HydrophobicContact CG-CG 4.07Å; Q296-Y299 PolarHBondContact O-N 2.95Å; Y299-E303 WeakPolarHBondContact CA-OE2 3.48Å; Y299-E303 HydrophobicContact CD2-CB 3.88Å; Y299-E303 HydrophobicContact CG-CB 3.95Å; Y299-N304 PolarHBondContact O-ND2 2.72Å; Y299-L307 HydrophobicContact CE2-CD2 4.41Å
300	T	97.3	Very high	97.1	Very high	15 Å²	15	51.9 Å²	51.9	9%	0.092	27%	0.268	C	S	.	.			trans	-63.4	165.6	168	58	0	0	0	0	110.8	E261 R263 E302 E303 N304	E261-T300 HydrophobicContact CB-CG2 3.71Å; E261-T300 WeakPolarHBondContact O-CB 3.5Å; R263-T300 HydrophobicContact CG-CG2 3.86Å; R263-T300 VanDerWaalsContact NE-CG2 3.26Å; T300-E302 VanDerWaalsContact C-N 3.26Å; T300-E302 PolarHBondContact O-N 2.94Å; T300-E303 WeakPolarHBondContact CB-OE2 3.37Å; T300-E303 WeakPolarHBondContact CG2-OE2 3.31Å; T300-E303 PolarHBondContact N-OE2 3.43Å; T300-E303 PolarHBondContact O-N 2.7Å; T300-E303 WeakPolarHBondContact OG1-CB 3.5Å; T300-E303 VanDerWaalsContact OG1-CD 3.29Å; T300-E303 WeakPolarHBondContact OG1-CG 3.29Å; T300-E303 PolarHBondContact OG1-N 3.23Å; T300-E303 VanDerWaalsContact OG1-N 3.13Å; T300-E303 PolarHBondContact OG1-OE2 3.42Å; T300-N304 PolarHBondContact O-N 3.46Å; T300-N304 PolarHBondContact O-ND2 3.26Å
301	A	96.2	Very high	97.1	Very high	50 Å²	50	53.4 Å²	53.4	41%	0.413	28%	0.275	S	S	.	.	H	α-helix	trans	-57.5	-42.1	173.1	0	0	0	0	0	111.4	E261 N304 E305	E261-A301 PolarHBondContact O-N 3.25Å; A301-N304 PolarHBondContact O-N 3.21Å; A301-E305 WeakPolarHBondContact O-CG 3.45Å; A301-E305 PolarHBondContact O-N 2.6Å
302	E	97.8	Very high	97.1	Very high	129 Å²	129	54.2 Å²	54.2	60%	0.603	28%	0.282	S	S	*	.	H	α-helix	trans	-67.1	-38.8	179.3	-160.3	-165.2	164.8	0	0	112.5	T300 E305 R306	T300-E302 VanDerWaalsContact C-N 3.26Å; T300-E302 PolarHBondContact O-N 2.94Å; E302-E305 PolarHBondContact O-N 2.91Å; E302-R306 WeakPolarHBondContact O-CG 3.28Å; E302-R306 PolarHBondContact O-N 3.1Å; E302-R306 IonicContact OE1-NH1 2.98Å; E302-R306 PolarHBondContact OE1-NH1 2.82Å; E302-R306 IonicContact OE2-NH1 2.76Å; E302-R306 PolarHBondContact OE2-NH1 3.34Å
303	E	98.2	Very high	97.2	Very high	60 Å²	60	61.1 Å²	61.1	28%	0.28	31%	0.307	S	S	.	.	H	α-helix	trans	-64.1	-42.3	175.2	-75.9	165.1	149.4	0	0	112.1	Y299 T300 R306 L307	Y299-E303 WeakPolarHBondContact CA-OE2 3.48Å; Y299-E303 HydrophobicContact CD2-CB 3.88Å; Y299-E303 HydrophobicContact CG-CB 3.95Å; T300-E303 WeakPolarHBondContact CB-OE2 3.37Å; T300-E303 WeakPolarHBondContact CG2-OE2 3.31Å; T300-E303 PolarHBondContact N-OE2 3.43Å; T300-E303 PolarHBondContact O-N 2.7Å; T300-E303 WeakPolarHBondContact OG1-CB 3.5Å; T300-E303 VanDerWaalsContact OG1-CD 3.29Å; T300-E303 WeakPolarHBondContact OG1-CG 3.29Å; T300-E303 PolarHBondContact OG1-N 3.23Å; T300-E303 VanDerWaalsContact OG1-N 3.13Å; T300-E303 PolarHBondContact OG1-OE2 3.42Å; E303-R306 PolarHBondContact O-N 2.9Å; E303-L307 WeakPolarHBondContact O-CB 3.37Å; E303-L307 PolarHBondContact O-N 3.48Å
304	N	97.8	Very high	97.3	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.011	30%	0.301	C	S	.	.	H	α-helix	trans	-67.1	-35.1	175.8	-79.5	-47.1	0	0	0	112.2	Y295 Q296 Y299 T300 A301 L307 K308	Y295-N304 HydrophobicContact CD1-CB 4.19Å; Y295-N304 HydrophobicContact CD2-CB 4.23Å; Y295-N304 HydrophobicContact CE1-CB 4.35Å; Y295-N304 HydrophobicContact CE2-CB 4.42Å; Y295-N304 HydrophobicContact CG-CB 4.13Å; Q296-N304 PolarHBondContact N-OD1 3.31Å; Q296-N304 PolarHBondContact O-ND2 2.85Å; Y299-N304 PolarHBondContact O-ND2 2.72Å; T300-N304 PolarHBondContact O-N 3.46Å; T300-N304 PolarHBondContact O-ND2 3.26Å; A301-N304 PolarHBondContact O-N 3.21Å; N304-L307 PolarHBondContact O-N 3.48Å; N304-K308 WeakPolarHBondContact O-CB 3.4Å; N304-K308 PolarHBondContact O-N 3.36Å
305	E	97.2	Very high	97.3	Very high	108 Å²	108	61.6 Å²	61.6	51%	0.505	30%	0.299	S	S	.	.	H	α-helix	trans	-67.9	-37.7	172.9	-74	-56.7	137.5	0	0	112.5	A301 E302 K308 A309	A301-E305 WeakPolarHBondContact O-CG 3.45Å; A301-E305 PolarHBondContact O-N 2.6Å; E302-E305 PolarHBondContact O-N 2.91Å; E305-K308 PolarHBondContact O-N 3.33Å; E305-A309 PolarHBondContact O-N 2.98Å
306	R	98.3	Very high	97.3	Very high	125 Å²	125	65.1 Å²	65.1	47%	0.472	32%	0.315	S	S	.	.	H	α-helix	trans	-63.3	-43.3	172	-74.1	-169.8	-66.1	-104.2	3.7	111.8	E302 E303 K308 A309 E310	E302-R306 WeakPolarHBondContact O-CG 3.28Å; E302-R306 PolarHBondContact O-N 3.1Å; E302-R306 IonicContact OE1-NH1 2.98Å; E302-R306 PolarHBondContact OE1-NH1 2.82Å; E302-R306 IonicContact OE2-NH1 2.76Å; E302-R306 PolarHBondContact OE2-NH1 3.34Å; E303-R306 PolarHBondContact O-N 2.9Å; R306-K308 VanDerWaalsContact C-N 3.35Å; R306-A309 PolarHBondContact O-N 2.75Å; R306-E310 PolarHBondContact O-N 3.22Å
307	L	97.6	Very high	97.4	Very high	31 Å²	31	67.9 Å²	67.9	16%	0.162	33%	0.331	C	S	.	.	H	α-helix	trans	-60	-45.4	175	179.1	63.2	0	0	0	111	Y294 Q296 Y299 E303 N304 A309 E310 K311	Y294-L307 VanDerWaalsContact O-CD2 3.26Å; Y294-L307 WeakPolarHBondContact O-CD2 3.03Å; Q296-L307 HydrophobicContact CG-CD2 4.37Å; Y299-L307 HydrophobicContact CE2-CD2 4.41Å; E303-L307 WeakPolarHBondContact O-CB 3.37Å; E303-L307 PolarHBondContact O-N 3.48Å; N304-L307 PolarHBondContact O-N 3.48Å; L307-A309 PolarHBondContact O-N 3Å; L307-E310 PolarHBondContact O-N 3.21Å; L307-K311 HydrophobicContact CD1-CG 3.97Å; L307-K311 HydrophobicContact CG-CG 4.28Å; L307-K311 VanDerWaalsContact O-CB 3.29Å; L307-K311 WeakPolarHBondContact O-CB 3.39Å; L307-K311 VanDerWaalsContact O-CG 3.26Å; L307-K311 WeakPolarHBondContact O-CG 3.36Å; L307-K311 PolarHBondContact O-N 3.39Å
308	K	97.9	Very high	97.5	Very high	52 Å²	52	67.9 Å²	67.9	23%	0.226	33%	0.333	C	S	.	.	H	α-helix	trans	-56.4	-48	174.5	172.9	167	177.7	166.4	0	111.9	Y294 Y295 N304 E305 R306 E310 K311 S312 D404	Y294-K308 WeakPolarHBondContact OH-CG 3.3Å; Y295-K308 HydrophobicContact CE1-CB 4.27Å; N304-K308 WeakPolarHBondContact O-CB 3.4Å; N304-K308 PolarHBondContact O-N 3.36Å; E305-K308 PolarHBondContact O-N 3.33Å; R306-K308 VanDerWaalsContact C-N 3.35Å; K308-E310 VanDerWaalsContact C-N 3.3Å; K308-E310 PolarHBondContact O-N 2.89Å; K308-K311 PolarHBondContact O-N 2.78Å; K308-S312 VanDerWaalsContact O-CB 3.27Å; K308-S312 WeakPolarHBondContact O-CB 3.47Å; K308-S312 PolarHBondContact O-N 3.48Å; K308-D404 VanDerWaalsContact CE-OD1 3.3Å; K308-D404 WeakPolarHBondContact CE-OD1 3.43Å; K308-D404 IonicContact NZ-OD1 3.48Å; K308-D404 PolarHBondContact NZ-OD1 2.83Å; K308-D404 IonicContact NZ-OD2 3.14Å; K308-D404 PolarHBondContact NZ-OD2 3.19Å
309	A	98.3	Very high	97.7	Very high	45 Å²	45	64.1 Å²	64.1	37%	0.372	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-32.9	179.7	0	0	0	0	0	113.1	E305 R306 L307 R313	E305-A309 PolarHBondContact O-N 2.98Å; R306-A309 PolarHBondContact O-N 2.75Å; L307-A309 PolarHBondContact O-N 3Å; A309-R313 VanDerWaalsContact O-CZ 3.3Å; A309-R313 PolarHBondContact O-N 3.18Å; A309-R313 PolarHBondContact O-NE 3.47Å; A309-R313 PolarHBondContact O-NH2 3.34Å
310	E	98.1	Very high	97.7	Very high	108 Å²	108	64.8 Å²	64.8	51%	0.505	32%	0.319	S	S	.	.	H	α-helix	trans	-68.5	-49.9	172.9	-177.2	-179.7	167	0	0	112	R306 L307 K308 S312 R313 E314	R306-E310 PolarHBondContact O-N 3.22Å; L307-E310 PolarHBondContact O-N 3.21Å; K308-E310 VanDerWaalsContact C-N 3.3Å; K308-E310 PolarHBondContact O-N 2.89Å; E310-S312 VanDerWaalsContact C-N 3.31Å; E310-S312 PolarHBondContact O-N 3.45Å; E310-R313 WeakPolarHBondContact O-CB 3.37Å; E310-R313 PolarHBondContact O-N 2.78Å; E310-R313 VanDerWaalsContact O-N 3.08Å; E310-E314 PolarHBondContact O-N 2.75Å; E310-E314 VanDerWaalsContact O-N 3.08Å
311	K	97.7	Very high	97.5	Very high	45 Å²	45	69.2 Å²	69.2	20%	0.196	34%	0.338	C	S	.	.	H	α-helix	trans	-64	-35.2	-179.2	-73.8	-74	164.4	-161.6	0	112.5	Y294 L307 K308 R313 E314 Y315 W407	Y294-K311 HydrophobicContact CE2-CB 4.01Å; Y294-K311 HydrophobicContact CE2-CG 4.13Å; L307-K311 HydrophobicContact CD1-CG 3.97Å; L307-K311 HydrophobicContact CG-CG 4.28Å; L307-K311 VanDerWaalsContact O-CB 3.29Å; L307-K311 WeakPolarHBondContact O-CB 3.39Å; L307-K311 VanDerWaalsContact O-CG 3.26Å; L307-K311 WeakPolarHBondContact O-CG 3.36Å; L307-K311 PolarHBondContact O-N 3.39Å; K308-K311 PolarHBondContact O-N 2.78Å; K311-R313 PolarHBondContact O-N 3.29Å; K311-E314 IonicContact NZ-OE1 3.86Å; K311-E314 IonicContact NZ-OE2 3.43Å; K311-E314 PolarHBondContact NZ-OE2 3.22Å; K311-E314 PolarHBondContact O-N 2.87Å; K311-Y315 WeakPolarHBondContact O-CB 3.22Å; K311-Y315 PolarHBondContact O-N 2.88Å; K311-W407 VanDerWaalsContact C-NE1 3.32Å; K311-W407 HydrophobicContact CB-CD2 4.19Å; K311-W407 HydrophobicContact CB-CG 4.16Å; K311-W407 HydrophobicContact CB-CZ2 4.33Å; K311-W407 HydrophobicContact CD-CD2 3.55Å; K311-W407 HydrophobicContact CD-CE3 3.74Å; K311-W407 HydrophobicContact CD-CG 4.26Å; K311-W407 HydrophobicContact CD-CH2 3.66Å; K311-W407 HydrophobicContact CD-CZ2 3.45Å; K311-W407 VanDerWaalsContact CD-CZ2 3.45Å; K311-W407 HydrophobicContact CD-CZ3 3.79Å; K311-W407 HydrophobicContact CG-CD2 4.34Å; K311-W407 PolarHBondContact O-NE1 3.28Å
312	S	97.9	Very high	97.4	Very high	28 Å²	28	68.3 Å²	68.3	20%	0.196	32%	0.323	C	S	.	.	H	α-helix	trans	-56.8	-45.8	169.6	173.6	0	0	0	0	112.6	K308 E310 H316 E403	K308-S312 VanDerWaalsContact O-CB 3.27Å; K308-S312 WeakPolarHBondContact O-CB 3.47Å; K308-S312 PolarHBondContact O-N 3.48Å; E310-S312 VanDerWaalsContact C-N 3.31Å; E310-S312 PolarHBondContact O-N 3.45Å; S312-H316 PolarHBondContact O-N 3.04Å; S312-H316 VanDerWaalsContact O-N 3.12Å; S312-H316 PolarHBondContact O-ND1 3.11Å; S312-E403 WeakPolarHBondContact CA-OE2 3.2Å; S312-E403 WeakPolarHBondContact CB-OE2 3.02Å; S312-E403 PolarHBondContact OG-OE2 2.84Å
313	R	98.2	Very high	97.2	Very high	150 Å²	150	67.3 Å²	67.3	57%	0.566	32%	0.317	S	S	*	.	H	α-helix	trans	-66.3	-44.1	178.2	-74.1	-179.1	-111.8	107.5	1.4	111.7	A309 E310 K311 H316 I317	A309-R313 VanDerWaalsContact O-CZ 3.3Å; A309-R313 PolarHBondContact O-N 3.18Å; A309-R313 PolarHBondContact O-NE 3.47Å; A309-R313 PolarHBondContact O-NH2 3.34Å; E310-R313 WeakPolarHBondContact O-CB 3.37Å; E310-R313 PolarHBondContact O-N 2.78Å; E310-R313 VanDerWaalsContact O-N 3.08Å; K311-R313 PolarHBondContact O-N 3.29Å; R313-H316 PolarHBondContact O-N 3.28Å; R313-I317 WeakPolarHBondContact O-CG1 3.45Å; R313-I317 PolarHBondContact O-N 3Å
314	E	97.7	Very high	97	Very high	62 Å²	62	68.5 Å²	68.5	29%	0.29	33%	0.332	S	S	.	.	H	α-helix	trans	-59.8	-46.6	177.6	-175.1	-179.6	178.3	0	0	111.4	E310 K311 H316 I317 L318 W407	E310-E314 PolarHBondContact O-N 2.75Å; E310-E314 VanDerWaalsContact O-N 3.08Å; K311-E314 IonicContact NZ-OE1 3.86Å; K311-E314 IonicContact NZ-OE2 3.43Å; K311-E314 PolarHBondContact NZ-OE2 3.22Å; K311-E314 PolarHBondContact O-N 2.87Å; E314-H316 PolarHBondContact O-N 2.89Å; E314-I317 WeakPolarHBondContact O-CB 3.38Å; E314-I317 PolarHBondContact O-N 2.78Å; E314-L318 HydrophobicContact CG-CD1 4.38Å; E314-L318 WeakPolarHBondContact O-CG 3.38Å; E314-L318 PolarHBondContact O-N 3.03Å; E314-L318 VanDerWaalsContact O-N 3.14Å; E314-W407 HydrophobicContact CB-CZ2 3.98Å; E314-W407 HydrophobicContact CG-CH2 4.1Å; E314-W407 HydrophobicContact CG-CZ2 3.89Å; E314-W407 VanDerWaalsContact OE2-CH2 3.28Å; E314-W407 WeakPolarHBondContact OE2-CH2 3.18Å; E314-W407 WeakPolarHBondContact OE2-CZ2 3.33Å
315	Y	98.5	Very high	96.6	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.008	34%	0.339	C	S	.	.	H	α-helix	trans	-56.5	-47.4	175.3	173.5	-95.8	0	0	0	112.4	K311 I317 L318 K319 T374 E402 E403 F406	K311-Y315 WeakPolarHBondContact O-CB 3.22Å; K311-Y315 PolarHBondContact O-N 2.88Å; Y315-I317 VanDerWaalsContact C-N 3.31Å; Y315-I317 PolarHBondContact O-N 3.43Å; Y315-L318 PolarHBondContact O-N 2.84Å; Y315-K319 HydrophobicContact CE1-CB 4.33Å; Y315-K319 HydrophobicContact CE1-CD 3.67Å; Y315-K319 WeakPolarHBondContact O-CB 3.25Å; Y315-K319 PolarHBondContact O-N 3.06Å; Y315-K319 WeakPolarHBondContact OH-CD 3.06Å; Y315-T374 HydrophobicContact CD2-CG2 3.79Å; Y315-T374 HydrophobicContact CE2-CG2 3.67Å; Y315-E402 VanDerWaalsContact OH-CD 3.22Å; Y315-E402 WeakPolarHBondContact OH-CG 3.49Å; Y315-E402 PolarHBondContact OH-OE1 3.06Å; Y315-E403 HydrophobicContact CD1-CB 4.34Å; Y315-E403 HydrophobicContact CD1-CG 3.58Å; Y315-E403 HydrophobicContact CE1-CG 3.91Å; Y315-E403 HydrophobicContact CG-CG 4.24Å; Y315-F406 HydrophobicContact CD2-CB 3.68Å; Y315-F406 AromaticContact CD2-CD1 3.57Å; Y315-F406 HydrophobicContact CD2-CD1 3.57Å; Y315-F406 AromaticContact CD2-CD2 3.75Å; Y315-F406 HydrophobicContact CD2-CD2 3.75Å; Y315-F406 HydrophobicContact CD2-CE1 4.13Å; Y315-F406 HydrophobicContact CD2-CE2 4.28Å; Y315-F406 AromaticContact CD2-CG 3.37Å; Y315-F406 HydrophobicContact CD2-CG 3.37Å; Y315-F406 HydrophobicContact CD2-CZ 4.47Å; Y315-F406 HydrophobicContact CE2-CB 3.62Å; Y315-F406 HydrophobicContact CE2-CD1 4.27Å; Y315-F406 AromaticContact CE2-CD2 3.68Å; Y315-F406 HydrophobicContact CE2-CD2 3.68Å; Y315-F406 HydrophobicContact CE2-CE2 4.44Å; Y315-F406 AromaticContact CE2-CG 3.59Å; Y315-F406 HydrophobicContact CE2-CG 3.59Å; Y315-F406 HydrophobicContact CG-CD1 4.49Å
316	H	98	Very high	96.3	Very high	86 Å²	86	66.9 Å²	66.9	40%	0.398	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-35.7	179.3	-82.3	93.8	0	0	0	113.3	S312 R313 E314 T320 E403	S312-H316 PolarHBondContact O-N 3.04Å; S312-H316 VanDerWaalsContact O-N 3.12Å; S312-H316 PolarHBondContact O-ND1 3.11Å; R313-H316 PolarHBondContact O-N 3.28Å; E314-H316 PolarHBondContact O-N 2.89Å; H316-T320 WeakPolarHBondContact O-CB 3.29Å; H316-T320 PolarHBondContact O-N 2.83Å; H316-T320 PolarHBondContact O-OG1 3.36Å; H316-E403 IonicContact CE1-OE1 3.88Å; H316-E403 PolarHBondContact CE1-OE1 3.16Å; H316-E403 IonicContact CE1-OE2 2.85Å; H316-E403 IonicContact ND1-OE1 3.03Å; H316-E403 IonicContact NE2-OE1 3.02Å
317	I	97.5	Very high	95.9	Very high	119 Å²	119	66 Å²	66	61%	0.61	34%	0.34	S	S	*	.	H	α-helix	trans	-61.4	-49.7	175	-70.2	165.3	0	0	0	109.7	R313 E314 Y315 T320 F321	R313-I317 WeakPolarHBondContact O-CG1 3.45Å; R313-I317 PolarHBondContact O-N 3Å; E314-I317 WeakPolarHBondContact O-CB 3.38Å; E314-I317 PolarHBondContact O-N 2.78Å; Y315-I317 VanDerWaalsContact C-N 3.31Å; Y315-I317 PolarHBondContact O-N 3.43Å; I317-T320 PolarHBondContact O-N 3.04Å; I317-F321 WeakPolarHBondContact O-CB 3.25Å; I317-F321 PolarHBondContact O-N 2.92Å
318	L	96.6	Very high	95.5	Very high	31 Å²	31	69.6 Å²	69.6	16%	0.162	36%	0.36	C	S	.	.	H	α-helix	trans	-62.7	-45.2	179.1	-63.2	165.6	0	0	0	111.5	E314 Y315 F321 W322 T374 I377 Y378 F406	E314-L318 HydrophobicContact CG-CD1 4.38Å; E314-L318 WeakPolarHBondContact O-CG 3.38Å; E314-L318 PolarHBondContact O-N 3.03Å; E314-L318 VanDerWaalsContact O-N 3.14Å; Y315-L318 PolarHBondContact O-N 2.84Å; L318-F321 WeakPolarHBondContact O-CB 3.45Å; L318-F321 PolarHBondContact O-N 2.8Å; L318-W322 VanDerWaalsContact O-CD1 3.26Å; L318-W322 PolarHBondContact O-N 2.83Å; L318-T374 HydrophobicContact CB-CG2 3.63Å; L318-I377 HydrophobicContact CD2-CG2 3.95Å; L318-Y378 HydrophobicContact CD1-CD2 3.81Å; L318-Y378 HydrophobicContact CD1-CG 4.43Å; L318-F406 HydrophobicContact CD1-CZ 4.33Å
319	K	97.5	Very high	95	Very high	26 Å²	26	74.9 Å²	74.9	11%	0.113	38%	0.378	C	S	.	.	H	α-helix	trans	-63.1	-44.5	179.1	-174.5	172.4	-175.8	166.4	0	112.2	Y315 F321 W322 K323 D370 T374 E402	Y315-K319 HydrophobicContact CE1-CB 4.33Å; Y315-K319 HydrophobicContact CE1-CD 3.67Å; Y315-K319 WeakPolarHBondContact O-CB 3.25Å; Y315-K319 PolarHBondContact O-N 3.06Å; Y315-K319 WeakPolarHBondContact OH-CD 3.06Å; K319-F321 VanDerWaalsContact C-N 3.3Å; K319-F321 PolarHBondContact O-N 3.14Å; K319-W322 HydrophobicContact CG-CZ2 4.37Å; K319-W322 PolarHBondContact O-NE1 2.87Å; K319-K323 VanDerWaalsContact CE-CE 3.48Å; K319-K323 HydrophobicContact CG-CD 4.29Å; K319-K323 HydrophobicContact CG-CG 4.48Å; K319-K323 WeakPolarHBondContact O-CB 2.99Å; K319-K323 WeakPolarHBondContact O-CG 3.38Å; K319-K323 PolarHBondContact O-N 2.87Å; K319-D370 WeakPolarHBondContact CE-OD2 3.4Å; K319-D370 IonicContact NZ-OD2 3.26Å; K319-D370 PolarHBondContact NZ-OD2 3.37Å; K319-T374 HydrophobicContact CB-CG2 4.35Å; K319-E402 IonicContact NZ-OE1 3.95Å; K319-E402 PolarHBondContact NZ-OE1 2.93Å; K319-E402 IonicContact NZ-OE2 2.6Å; K319-E402 PolarHBondContact NZ-OE2 3.46Å
320	T	97	Very high	94.5	Very high	86 Å²	86	75.3 Å²	75.3	53%	0.528	37%	0.373	S	S	.	.	H	α-helix	trans	-65	-37	178.1	-57.6	0	0	0	0	111.3	H316 I317 W322 K323 S324	H316-T320 WeakPolarHBondContact O-CB 3.29Å; H316-T320 PolarHBondContact O-N 2.83Å; H316-T320 PolarHBondContact O-OG1 3.36Å; I317-T320 PolarHBondContact O-N 3.04Å; T320-W322 PolarHBondContact O-N 3.32Å; T320-K323 PolarHBondContact O-N 2.86Å; T320-S324 VanDerWaalsContact O-CB 3.26Å; T320-S324 WeakPolarHBondContact O-CB 3.22Å; T320-S324 PolarHBondContact O-N 3.41Å; T320-S324 PolarHBondContact O-OG 3.2Å
321	F	93.4	Very high	93.9	Very high	109 Å²	109	73 Å²	73	48%	0.478	37%	0.371	S	S	.	.	H	α-helix	trans	-56.3	-51.6	178.7	173.6	-95.7	0	0	0	112.1	I317 L318 K319 S324 M325 I377	I317-F321 WeakPolarHBondContact O-CB 3.25Å; I317-F321 PolarHBondContact O-N 2.92Å; L318-F321 WeakPolarHBondContact O-CB 3.45Å; L318-F321 PolarHBondContact O-N 2.8Å; K319-F321 VanDerWaalsContact C-N 3.3Å; K319-F321 PolarHBondContact O-N 3.14Å; F321-S324 PolarHBondContact O-OG 2.93Å; F321-M325 HydrophobicContact CD1-CE 4.48Å; F321-M325 HydrophobicContact CE1-CE 3.8Å; F321-M325 HydrophobicContact CZ-CE 4.15Å; F321-I377 HydrophobicContact CD1-CD1 4.19Å; F321-I377 HydrophobicContact CD1-CG1 4.44Å; F321-I377 HydrophobicContact CD1-CG2 3.77Å; F321-I377 HydrophobicContact CE1-CD1 4.13Å; F321-I377 HydrophobicContact CE1-CG2 4.26Å
322	W	93.6	Very high	93.4	Very high	30 Å²	30	79.4 Å²	79.4	11%	0.114	39%	0.394	C	S	.	.	H	α-helix	trans	-77.5	-36.1	179.9	70.9	-100.8	0	0	0	112.9	L318 K319 T320 S324 M325 F336 D370 I373 T374 I377	L318-W322 VanDerWaalsContact O-CD1 3.26Å; L318-W322 PolarHBondContact O-N 2.83Å; K319-W322 HydrophobicContact CG-CZ2 4.37Å; K319-W322 PolarHBondContact O-NE1 2.87Å; T320-W322 PolarHBondContact O-N 3.32Å; W322-S324 PolarHBondContact O-N 2.79Å; W322-M325 VanDerWaalsContact O-CB 3.23Å; W322-M325 WeakPolarHBondContact O-CB 3.36Å; W322-M325 PolarHBondContact O-N 3.02Å; W322-M325 VanDerWaalsContact O-N 3.08Å; W322-F336 HydrophobicContact CB-CE2 4.29Å; W322-F336 HydrophobicContact CB-CZ 4.09Å; W322-D370 VanDerWaalsContact CH2-OD1 3.27Å; W322-D370 WeakPolarHBondContact CH2-OD1 3.05Å; W322-D370 HydrophobicContact CZ2-CB 4.33Å; W322-D370 WeakPolarHBondContact CZ2-OD1 3.06Å; W322-I373 HydrophobicContact CB-CG2 4.38Å; W322-I373 HydrophobicContact CD2-CB 4.31Å; W322-I373 HydrophobicContact CD2-CG2 3.37Å; W322-I373 HydrophobicContact CE3-CG2 3.67Å; W322-I373 HydrophobicContact CG-CG2 3.7Å; W322-I373 HydrophobicContact CH2-CB 4.36Å; W322-I373 HydrophobicContact CH2-CD1 3.87Å; W322-I373 HydrophobicContact CH2-CG2 4.22Å; W322-I373 HydrophobicContact CZ2-CB 4.03Å; W322-I373 HydrophobicContact CZ2-CD1 4.37Å; W322-I373 HydrophobicContact CZ2-CG2 3.98Å; W322-I373 HydrophobicContact CZ3-CD1 4.02Å; W322-I373 HydrophobicContact CZ3-CG2 4.08Å; W322-T374 PolarHBondContact NE1-OG1 3.25Å; W322-I377 HydrophobicContact CB-CD1 4.13Å; W322-I377 HydrophobicContact CB-CG1 3.85Å; W322-I377 HydrophobicContact CG-CG1 4.23Å
323	K	94.9	Very high	92.8	Very high	109 Å²	109	81.1 Å²	81.1	47%	0.474	40%	0.398	S	S	.	.	H	α-helix	trans	-63.9	-27.1	177.3	-77.6	-160.7	176.4	-166.7	0	113.3	K319 T320 D370	K319-K323 VanDerWaalsContact CE-CE 3.48Å; K319-K323 HydrophobicContact CG-CD 4.29Å; K319-K323 HydrophobicContact CG-CG 4.48Å; K319-K323 WeakPolarHBondContact O-CB 2.99Å; K319-K323 WeakPolarHBondContact O-CG 3.38Å; K319-K323 PolarHBondContact O-N 2.87Å; T320-K323 PolarHBondContact O-N 2.86Å; K323-D370 VanDerWaalsContact CE-OD1 3.27Å; K323-D370 WeakPolarHBondContact CE-OD1 3.28Å; K323-D370 WeakPolarHBondContact CE-OD2 3.39Å; K323-D370 IonicContact NZ-OD1 3.23Å; K323-D370 PolarHBondContact NZ-OD1 3.39Å; K323-D370 IonicContact NZ-OD2 2.72Å; K323-D370 PolarHBondContact NZ-OD2 3.34Å
324	S	92.6	Very high	92.2	Very high	84 Å²	84	75.1 Å²	75.1	59%	0.587	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	1.6	177	64.8	0	0	0	0	113.9	T320 F321 W322 S326	T320-S324 VanDerWaalsContact O-CB 3.26Å; T320-S324 WeakPolarHBondContact O-CB 3.22Å; T320-S324 PolarHBondContact O-N 3.41Å; T320-S324 PolarHBondContact O-OG 3.2Å; F321-S324 PolarHBondContact O-OG 2.93Å; W322-S324 PolarHBondContact O-N 2.79Å; S324-S326 PolarHBondContact O-N 2.9Å
325	M	89.5	Confident	91.2	Very high	31 Å²	31	75.5 Å²	75.5	15%	0.153	39%	0.387	C	S	.	.			trans	-68.7	128.1	178.1	-164.9	167.6	-60.5	0	0	110.3	F321 W322 R329 E330 F333 F336	F321-M325 HydrophobicContact CD1-CE 4.48Å; F321-M325 HydrophobicContact CE1-CE 3.8Å; F321-M325 HydrophobicContact CZ-CE 4.15Å; W322-M325 VanDerWaalsContact O-CB 3.23Å; W322-M325 WeakPolarHBondContact O-CB 3.36Å; W322-M325 PolarHBondContact O-N 3.02Å; W322-M325 VanDerWaalsContact O-N 3.08Å; M325-R329 HydrophobicContact CG-CB 3.72Å; M325-R329 HydrophobicContact SD-CB 4.4Å; M325-E330 HydrophobicContact CG-CB 4.37Å; M325-E330 HydrophobicContact SD-CB 4.26Å; M325-F333 HydrophobicContact CE-CD1 3.96Å; M325-F333 HydrophobicContact CE-CE1 4.33Å; M325-F333 HydrophobicContact SD-CD1 4.05Å; M325-F336 HydrophobicContact SD-CD1 4.38Å; M325-F336 HydrophobicContact SD-CE1 4.44Å
326	S	90.7	Very high	90.7	Very high	45 Å²	45	75.6 Å²	75.6	32%	0.315	39%	0.388	S	S	.	.			trans	-74.1	152.3	176.9	69.7	0	0	0	0	111.2	S324 D328 R329 E330	S324-S326 PolarHBondContact O-N 2.9Å; S326-D328 PolarHBondContact O-N 3Å; S326-D328 VanDerWaalsContact O-N 3.13Å; S326-R329 WeakPolarHBondContact O-CB 3.28Å; S326-R329 PolarHBondContact O-N 2.98Å; S326-R329 WeakPolarHBondContact OG-CG 3.49Å; S326-R329 PolarHBondContact OG-N 2.86Å; S326-E330 PolarHBondContact O-N 2.84Å
327	P	89.8	Confident	90.3	Very high	106 Å²	106	76.7 Å²	76.7	69%	0.688	39%	0.388	S	S	*	.	H	α-helix	trans	-54	-37	177.9	-27.8	34.9	0	0	0	113.2	R329 E330 A331	P327-R329 PolarHBondContact O-N 3.07Å; P327-E330 PolarHBondContact O-N 3.38Å; P327-A331 VanDerWaalsContact O-CB 3.31Å; P327-A331 WeakPolarHBondContact O-CB 3.4Å; P327-A331 PolarHBondContact O-N 3.28Å
328	D	90.4	Very high	89.7	Confident	107 Å²	107	73.4 Å²	73.4	57%	0.572	37%	0.372	S	S	*	.	H	α-helix	trans	-62.9	-38.5	174.9	-82.8	-46.9	0	0	0	113.6	S326 R332	S326-D328 PolarHBondContact O-N 3Å; S326-D328 VanDerWaalsContact O-N 3.13Å; D328-R332 PolarHBondContact O-NE 3.28Å; D328-R332 PolarHBondContact O-NH1 3.03Å; D328-R332 VanDerWaalsContact O-NH1 3.14Å; D328-R332 PolarHBondContact O-NH2 2.93Å
329	R	86.7	Confident	89.3	Confident	164 Å²	164	72.3 Å²	72.3	62%	0.619	37%	0.366	S	S	*	.	H	α-helix	trans	-72.9	-44.8	177.7	-74.4	178.9	-175.9	-180	2.4	110.3	M325 S326 P327 A331 R332 F333	M325-R329 HydrophobicContact CG-CB 3.72Å; M325-R329 HydrophobicContact SD-CB 4.4Å; S326-R329 WeakPolarHBondContact O-CB 3.28Å; S326-R329 PolarHBondContact O-N 2.98Å; S326-R329 WeakPolarHBondContact OG-CG 3.49Å; S326-R329 PolarHBondContact OG-N 2.86Å; P327-R329 PolarHBondContact O-N 3.07Å; R329-A331 VanDerWaalsContact C-N 3.31Å; R329-A331 PolarHBondContact O-N 3.39Å; R329-R332 CarbonylContact O-C 3.5Å; R329-R332 PolarHBondContact O-N 3.26Å; R329-R332 VanDerWaalsContact O-N 3.08Å; R329-F333 PolarHBondContact O-N 3.24Å
330	E	87.1	Confident	89	Confident	54 Å²	54	73.1 Å²	73.1	25%	0.252	37%	0.369	S	S	.	.	H	α-helix	trans	-58.1	-44.2	176.6	-174.7	176.3	177	0	0	111.3	M325 S326 P327 R332 F333 F336 K340	M325-E330 HydrophobicContact CG-CB 4.37Å; M325-E330 HydrophobicContact SD-CB 4.26Å; S326-E330 PolarHBondContact O-N 2.84Å; P327-E330 PolarHBondContact O-N 3.38Å; E330-R332 PolarHBondContact O-N 2.99Å; E330-R332 VanDerWaalsContact O-N 3.14Å; E330-F333 PolarHBondContact O-N 2.75Å; E330-F336 HydrophobicContact CG-CD1 4.17Å; E330-F336 HydrophobicContact CG-CE1 4.09Å; E330-K340 VanDerWaalsContact OE1-CD 3.31Å; E330-K340 WeakPolarHBondContact OE1-CD 3.4Å
331	A	86.8	Confident	88.7	Confident	58 Å²	58	71.8 Å²	71.8	48%	0.479	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-26.9	177.1	0	0	0	0	0	113.8	P327 R329	P327-A331 VanDerWaalsContact O-CB 3.31Å; P327-A331 WeakPolarHBondContact O-CB 3.4Å; P327-A331 PolarHBondContact O-N 3.28Å; R329-A331 VanDerWaalsContact C-N 3.31Å; R329-A331 PolarHBondContact O-N 3.39Å
332	R	87.4	Confident	88.5	Confident	180 Å²	180	67.1 Å²	67.1	68%	0.679	34%	0.342	S	S	*	.	H	α-helix	trans	-94.1	-8.5	176.8	-68.7	-173.3	-69.9	-87.1	2	113.3	D328 R329 E330 G334	D328-R332 PolarHBondContact O-NE 3.28Å; D328-R332 PolarHBondContact O-NH1 3.03Å; D328-R332 VanDerWaalsContact O-NH1 3.14Å; D328-R332 PolarHBondContact O-NH2 2.93Å; R329-R332 CarbonylContact O-C 3.5Å; R329-R332 PolarHBondContact O-N 3.26Å; R329-R332 VanDerWaalsContact O-N 3.08Å; E330-R332 PolarHBondContact O-N 2.99Å; E330-R332 VanDerWaalsContact O-N 3.14Å; R332-G334 PolarHBondContact O-N 2.94Å
333	F	85.6	Confident	88.6	Confident	64 Å²	64	65.7 Å²	65.7	28%	0.281	34%	0.337	S	S	.	.			trans	-98.5	69	176	-163.5	176.4	0	0	0	110.1	M325 R329 E330 L335 F336 R337 M380	M325-F333 HydrophobicContact CE-CD1 3.96Å; M325-F333 HydrophobicContact CE-CE1 4.33Å; M325-F333 HydrophobicContact SD-CD1 4.05Å; R329-F333 PolarHBondContact O-N 3.24Å; E330-F333 PolarHBondContact O-N 2.75Å; F333-L335 HydrophobicContact CE2-CB 4.43Å; F333-L335 PolarHBondContact O-N 3.31Å; F333-F336 HydrophobicContact CB-CB 4.25Å; F333-F336 HydrophobicContact CD1-CB 3.52Å; F333-F336 HydrophobicContact CD1-CD1 4.4Å; F333-F336 HydrophobicContact CD1-CG 4.07Å; F333-F336 HydrophobicContact CD2-CB 3.74Å; F333-F336 HydrophobicContact CE1-CB 3.69Å; F333-F336 HydrophobicContact CE1-CG 4.25Å; F333-F336 HydrophobicContact CE2-CB 3.9Å; F333-F336 HydrophobicContact CG-CB 3.56Å; F333-F336 HydrophobicContact CG-CG 4.47Å; F333-F336 HydrophobicContact CZ-CB 3.88Å; F333-F336 PolarHBondContact O-N 3.12Å; F333-F336 VanDerWaalsContact O-N 3.14Å; F333-R337 PolarHBondContact O-N 2.6Å; F333-M380 HydrophobicContact CZ-SD 4.03Å
334	G	83.8	Confident	88.5	Confident	25 Å²	25	64.1 Å²	64.1	26%	0.258	33%	0.334	S	S	.	.	H	α-helix	trans	-50.6	-49.4	-171.9	0	0	0	0	0	114	R332 F336 R337 D338	R332-G334 PolarHBondContact O-N 2.94Å; G334-F336 PolarHBondContact O-N 2.72Å; G334-R337 PolarHBondContact O-N 3.18Å; G334-D338 WeakPolarHBondContact O-CB 3.41Å; G334-D338 PolarHBondContact O-N 2.84Å
335	L	78.6	Confident	88.5	Confident	69 Å²	69	65.4 Å²	65.4	36%	0.361	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-43.7	-179.3	-175	65	0	0	0	113.1	F333 R339 P594	F333-L335 HydrophobicContact CE2-CB 4.43Å; F333-L335 PolarHBondContact O-N 3.31Å; L335-R339 WeakPolarHBondContact O-CD 3.31Å; L335-R339 WeakPolarHBondContact O-CG 3.42Å; L335-R339 PolarHBondContact O-N 3.3Å; L335-P594 HydrophobicContact CD1-CG 4.18Å
336	F	87.1	Confident	88.7	Confident	4 Å²	4	64 Å²	64	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-66.8	-46.8	176.9	170.5	-99.9	0	0	0	111.4	W322 M325 E330 F333 G334 D338 R339 K340 I373 T376 I377	W322-F336 HydrophobicContact CB-CE2 4.29Å; W322-F336 HydrophobicContact CB-CZ 4.09Å; M325-F336 HydrophobicContact SD-CD1 4.38Å; M325-F336 HydrophobicContact SD-CE1 4.44Å; E330-F336 HydrophobicContact CG-CD1 4.17Å; E330-F336 HydrophobicContact CG-CE1 4.09Å; F333-F336 HydrophobicContact CB-CB 4.25Å; F333-F336 HydrophobicContact CD1-CB 3.52Å; F333-F336 HydrophobicContact CD1-CD1 4.4Å; F333-F336 HydrophobicContact CD1-CG 4.07Å; F333-F336 HydrophobicContact CD2-CB 3.74Å; F333-F336 HydrophobicContact CE1-CB 3.69Å; F333-F336 HydrophobicContact CE1-CG 4.25Å; F333-F336 HydrophobicContact CE2-CB 3.9Å; F333-F336 HydrophobicContact CG-CB 3.56Å; F333-F336 HydrophobicContact CG-CG 4.47Å; F333-F336 HydrophobicContact CZ-CB 3.88Å; F333-F336 PolarHBondContact O-N 3.12Å; F333-F336 VanDerWaalsContact O-N 3.14Å; G334-F336 PolarHBondContact O-N 2.72Å; F336-D338 VanDerWaalsContact C-N 3.33Å; F336-D338 PolarHBondContact O-N 3.27Å; F336-R339 PolarHBondContact O-N 3.11Å; F336-K340 HydrophobicContact CE1-CD 4.22Å; F336-K340 HydrophobicContact CZ-CD 4.31Å; F336-K340 WeakPolarHBondContact O-CB 3.44Å; F336-K340 PolarHBondContact O-N 3.31Å; F336-I373 HydrophobicContact CE2-CG2 3.76Å; F336-I373 HydrophobicContact CZ-CG2 3.84Å; F336-T376 HydrophobicContact CD2-CG2 4.21Å; F336-I377 HydrophobicContact CD2-CD1 3.6Å; F336-I377 HydrophobicContact CE2-CD1 3.58Å; F336-I377 HydrophobicContact CE2-CG1 4.16Å
337	R	89.3	Confident	89	Confident	110 Å²	110	62.2 Å²	62.2	42%	0.415	31%	0.309	S	S	.	.	H	α-helix	trans	-58.7	-45.1	179.7	-177.3	-161.5	65.8	-158.1	-3.3	111.5	F333 G334 K340 C341	F333-R337 PolarHBondContact O-N 2.6Å; G334-R337 PolarHBondContact O-N 3.18Å; R337-K340 PolarHBondContact O-N 2.98Å; R337-C341 WeakPolarHBondContact O-CB 3.36Å; R337-C341 PolarHBondContact O-N 3.31Å
338	D	85.9	Confident	89.2	Confident	49 Å²	49	60.4 Å²	60.4	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-66	-40.9	-178	-63.4	-8.2	0	0	0	110.6	G334 F336 C341 F342	G334-D338 WeakPolarHBondContact O-CB 3.41Å; G334-D338 PolarHBondContact O-N 2.84Å; F336-D338 VanDerWaalsContact C-N 3.33Å; F336-D338 PolarHBondContact O-N 3.27Å; D338-C341 WeakPolarHBondContact O-CB 3.45Å; D338-C341 PolarHBondContact O-N 3.03Å; D338-F342 WeakPolarHBondContact O-CD2 3.36Å; D338-F342 PolarHBondContact O-N 3.15Å
339	R	87	Confident	89.4	Confident	8 Å²	8	59.6 Å²	59.6	3%	0.03	29%	0.286	C	S	.	.	H	α-helix	trans	-66.3	-42.1	174.2	-71.7	170.3	176	165.9	-3	113.3	L335 F336 C341 F342 I343 T376 M380 D381 F382 G383	L335-R339 WeakPolarHBondContact O-CD 3.31Å; L335-R339 WeakPolarHBondContact O-CG 3.42Å; L335-R339 PolarHBondContact O-N 3.3Å; F336-R339 PolarHBondContact O-N 3.11Å; R339-C341 VanDerWaalsContact C-N 3.26Å; R339-C341 PolarHBondContact O-N 2.83Å; R339-F342 PolarHBondContact O-N 2.83Å; R339-I343 PolarHBondContact O-N 3Å; R339-I343 VanDerWaalsContact O-N 3.15Å; R339-T376 HydrophobicContact CB-CG2 4Å; R339-M380 VanDerWaalsContact CZ-O 3.31Å; R339-M380 PolarHBondContact NH1-O 2.93Å; R339-M380 PolarHBondContact NH2-O 3.07Å; R339-M380 VanDerWaalsContact NH2-O 3.12Å; R339-D381 PolarHBondContact NH2-O 3.12Å; R339-F382 PolarHBondContact NH2-O 2.82Å; R339-G383 VanDerWaalsContact CZ-CA 3.5Å
340	K	91.5	Very high	89.8	Confident	43 Å²	43	52 Å²	52	19%	0.187	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-39.1	174.5	-171.6	-172.5	174.3	-62	0	111	E330 F336 R337 F342 I343 D344 I373	E330-K340 VanDerWaalsContact OE1-CD 3.31Å; E330-K340 WeakPolarHBondContact OE1-CD 3.4Å; F336-K340 HydrophobicContact CE1-CD 4.22Å; F336-K340 HydrophobicContact CZ-CD 4.31Å; F336-K340 WeakPolarHBondContact O-CB 3.44Å; F336-K340 PolarHBondContact O-N 3.31Å; R337-K340 PolarHBondContact O-N 2.98Å; K340-F342 VanDerWaalsContact C-N 3.33Å; K340-F342 PolarHBondContact O-N 3.45Å; K340-I343 WeakPolarHBondContact O-CB 3.15Å; K340-I343 PolarHBondContact O-N 2.87Å; K340-I343 VanDerWaalsContact O-N 3.17Å; K340-D344 VanDerWaalsContact NZ-CG 3.33Å; K340-D344 IonicContact NZ-OD1 2.77Å; K340-D344 PolarHBondContact NZ-OD1 3.27Å; K340-D344 VanDerWaalsContact NZ-OD1 3.11Å; K340-D344 IonicContact NZ-OD2 2.71Å; K340-D344 PolarHBondContact NZ-OD2 3.21Å; K340-D344 WeakPolarHBondContact O-CB 3.47Å; K340-D344 PolarHBondContact O-N 3.21Å; K340-I373 HydrophobicContact CG-CD1 4.15Å; K340-I373 HydrophobicContact CG-CG1 4.37Å
341	C	91.2	Very high	90.1	Very high	59 Å²	59	51.1 Å²	51.1	40%	0.399	26%	0.255	S	S	.	.	H	α-helix	trans	-59	-41.1	175.7	-174.5	0	0	0	0	112.4	R337 D338 R339 D344 K345	R337-C341 WeakPolarHBondContact O-CB 3.36Å; R337-C341 PolarHBondContact O-N 3.31Å; D338-C341 WeakPolarHBondContact O-CB 3.45Å; D338-C341 PolarHBondContact O-N 3.03Å; R339-C341 VanDerWaalsContact C-N 3.26Å; R339-C341 PolarHBondContact O-N 2.83Å; C341-D344 PolarHBondContact O-N 3.16Å; C341-K345 WeakPolarHBondContact O-CG 3.49Å; C341-K345 PolarHBondContact O-N 3.43Å; C341-K345 VanDerWaalsContact O-N 3.17Å
342	F	89.1	Confident	90.5	Very high	11 Å²	11	53.9 Å²	53.9	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-65	-42.2	174.2	-70.2	-69.6	0	0	0	112.2	D338 R339 K340 D344 K345 D346 Y384 T595 N598	D338-F342 WeakPolarHBondContact O-CD2 3.36Å; D338-F342 PolarHBondContact O-N 3.15Å; R339-F342 PolarHBondContact O-N 2.83Å; K340-F342 VanDerWaalsContact C-N 3.33Å; K340-F342 PolarHBondContact O-N 3.45Å; F342-D344 VanDerWaalsContact C-N 3.34Å; F342-D344 PolarHBondContact O-N 2.73Å; F342-K345 WeakPolarHBondContact O-CB 2.9Å; F342-K345 PolarHBondContact O-N 2.79Å; F342-K345 VanDerWaalsContact O-N 3.15Å; F342-D346 WeakPolarHBondContact O-CB 3.31Å; F342-D346 PolarHBondContact O-N 3.17Å; F342-Y384 HydrophobicContact CB-CD1 3.72Å; F342-Y384 HydrophobicContact CB-CE1 3.77Å; F342-T595 HydrophobicContact CE2-CG2 3.85Å; F342-T595 HydrophobicContact CZ-CG2 3.85Å; F342-N598 HydrophobicContact CD1-CB 3.87Å; F342-N598 HydrophobicContact CD2-CB 4.07Å; F342-N598 VanDerWaalsContact CD2-ND2 3.32Å; F342-N598 WeakPolarHBondContact CD2-ND2 3.49Å; F342-N598 HydrophobicContact CE1-CB 3.52Å; F342-N598 HydrophobicContact CE2-CB 3.73Å; F342-N598 HydrophobicContact CG-CB 4.14Å; F342-N598 HydrophobicContact CZ-CB 3.44Å; F342-N598 VanDerWaalsContact CZ-CB 3.44Å
343	I	94.8	Very high	90.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-45	174.8	-63.4	166.5	0	0	0	110.8	R339 K340 K345 D346 V347 L372 I373 Y384	R339-I343 PolarHBondContact O-N 3Å; R339-I343 VanDerWaalsContact O-N 3.15Å; K340-I343 WeakPolarHBondContact O-CB 3.15Å; K340-I343 PolarHBondContact O-N 2.87Å; K340-I343 VanDerWaalsContact O-N 3.17Å; I343-K345 PolarHBondContact O-N 3.29Å; I343-D346 PolarHBondContact O-N 2.98Å; I343-D346 VanDerWaalsContact O-N 3.15Å; I343-V347 HydrophobicContact CG2-CG2 3.71Å; I343-V347 WeakPolarHBondContact O-CB 3.41Å; I343-V347 WeakPolarHBondContact O-CG2 3.5Å; I343-V347 PolarHBondContact O-N 3.3Å; I343-L372 HydrophobicContact CD1-CB 3.78Å; I343-L372 HydrophobicContact CG1-CB 4.09Å; I343-L372 HydrophobicContact CG2-CB 4.04Å; I343-L372 HydrophobicContact CG2-CD1 4.07Å; I343-I373 HydrophobicContact CD1-CG1 3.87Å; I343-I373 HydrophobicContact CG2-CG1 4.32Å; I343-Y384 HydrophobicContact CD1-CD2 4.06Å; I343-Y384 HydrophobicContact CD1-CG 3.96Å; I343-Y384 HydrophobicContact CG1-CD1 3.74Å; I343-Y384 HydrophobicContact CG1-CD2 3.56Å; I343-Y384 HydrophobicContact CG1-CE1 4.1Å; I343-Y384 HydrophobicContact CG1-CE2 3.91Å; I343-Y384 HydrophobicContact CG1-CG 3.46Å; I343-Y384 VanDerWaalsContact CG1-CG 3.46Å
344	D	94.4	Very high	91.1	Very high	75 Å²	75	53.7 Å²	53.7	40%	0.401	26%	0.26	S	S	.	.	H	α-helix	trans	-62.5	-24.4	179.4	-67.8	-25	0	0	0	112.1	K340 C341 F342 P348	K340-D344 VanDerWaalsContact NZ-CG 3.33Å; K340-D344 IonicContact NZ-OD1 2.77Å; K340-D344 PolarHBondContact NZ-OD1 3.27Å; K340-D344 VanDerWaalsContact NZ-OD1 3.11Å; K340-D344 IonicContact NZ-OD2 2.71Å; K340-D344 PolarHBondContact NZ-OD2 3.21Å; K340-D344 WeakPolarHBondContact O-CB 3.47Å; K340-D344 PolarHBondContact O-N 3.21Å; C341-D344 PolarHBondContact O-N 3.16Å; F342-D344 VanDerWaalsContact C-N 3.34Å; F342-D344 PolarHBondContact O-N 2.73Å; D344-P348 WeakPolarHBondContact O-CD 3.14Å; D344-P348 VanDerWaalsContact O-CG 3.27Å; D344-P348 WeakPolarHBondContact O-CG 3.37Å
345	K	91.6	Very high	91.6	Very high	111 Å²	111	59.3 Å²	59.3	48%	0.483	28%	0.284	S	S	.	.	H	α-helix	trans	-83.4	-40.4	172.2	-69.5	174.8	-179	-177.6	0	112.9	C341 F342 I343	C341-K345 WeakPolarHBondContact O-CG 3.49Å; C341-K345 PolarHBondContact O-N 3.43Å; C341-K345 VanDerWaalsContact O-N 3.17Å; F342-K345 WeakPolarHBondContact O-CB 2.9Å; F342-K345 PolarHBondContact O-N 2.79Å; F342-K345 VanDerWaalsContact O-N 3.15Å; I343-K345 PolarHBondContact O-N 3.29Å
346	D	93.6	Very high	92.4	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.011	27%	0.273	C	S	.	.	H	α-helix	trans	-81.4	-39.6	-170.7	-74.8	-4	0	0	0	113.8	F342 I343 R349 T350 Y384 N389	F342-D346 WeakPolarHBondContact O-CB 3.31Å; F342-D346 PolarHBondContact O-N 3.17Å; I343-D346 PolarHBondContact O-N 2.98Å; I343-D346 VanDerWaalsContact O-N 3.15Å; D346-R349 WeakPolarHBondContact O-CG 3.42Å; D346-R349 PolarHBondContact O-N 3.46Å; D346-R349 IonicContact OD1-CZ 2.7Å; D346-R349 IonicContact OD1-NE 3.65Å; D346-R349 PolarHBondContact OD1-NE 2.83Å; D346-R349 VanDerWaalsContact OD1-NE 3.14Å; D346-R349 IonicContact OD1-NH2 3.75Å; D346-R349 PolarHBondContact OD1-NH2 3.4Å; D346-R349 IonicContact OD2-NH2 2.65Å; D346-T350 PolarHBondContact O-N 2.85Å; D346-T350 PolarHBondContact O-OG1 2.84Å; D346-Y384 VanDerWaalsContact CB-OH 3.31Å; D346-Y384 WeakPolarHBondContact CB-OH 3.3Å; D346-Y384 WeakPolarHBondContact OD2-CE1 3.15Å; D346-Y384 PolarHBondContact OD2-OH 3.48Å; D346-N389 HydrophobicContact CB-CB 4.28Å
347	V	96.7	Very high	92.9	Very high	8 Å²	8	57.3 Å²	57.3	5%	0.048	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-60.4	-48.1	-177.9	169.2	0	0	0	0	111.9	I343 R349 T350 L365 L368 L372	I343-V347 HydrophobicContact CG2-CG2 3.71Å; I343-V347 WeakPolarHBondContact O-CB 3.41Å; I343-V347 WeakPolarHBondContact O-CG2 3.5Å; I343-V347 PolarHBondContact O-N 3.3Å; V347-R349 PolarHBondContact O-N 3.39Å; V347-R349 VanDerWaalsContact O-N 3.09Å; V347-T350 WeakPolarHBondContact O-CB 3.36Å; V347-T350 PolarHBondContact O-N 2.64Å; V347-T350 PolarHBondContact O-OG1 2.96Å; V347-L365 HydrophobicContact CG1-CB 4.07Å; V347-L365 HydrophobicContact CG1-CD2 4.19Å; V347-L365 WeakPolarHBondContact CG1-O 3.48Å; V347-L368 HydrophobicContact CG1-CB 4.48Å; V347-L368 HydrophobicContact CG1-CD2 4.25Å; V347-L368 HydrophobicContact CG2-CD2 4.21Å; V347-L368 HydrophobicContact CG2-CG 4.41Å; V347-L372 HydrophobicContact CG2-CD1 3.86Å
348	P	94.9	Very high	93.1	Very high	67 Å²	67	54.2 Å²	54.2	44%	0.435	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-62.1	-22.4	-177.7	-25.4	36.1	0	0	0	115.1	D344 R352	D344-P348 WeakPolarHBondContact O-CD 3.14Å; D344-P348 VanDerWaalsContact O-CG 3.27Å; D344-P348 WeakPolarHBondContact O-CG 3.37Å; P348-R352 VanDerWaalsContact O-CD 3.3Å; P348-R352 WeakPolarHBondContact O-CD 3.49Å; P348-R352 PolarHBondContact O-NH1 2.97Å
349	R	93.8	Very high	93.5	Very high	91 Å²	91	55.4 Å²	55.4	34%	0.343	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-95.1	-5.2	178.4	60.7	179.7	-174.6	135.5	-4.5	113.9	D346 V347 D351 D606	D346-R349 WeakPolarHBondContact O-CG 3.42Å; D346-R349 PolarHBondContact O-N 3.46Å; D346-R349 IonicContact OD1-CZ 2.7Å; D346-R349 IonicContact OD1-NE 3.65Å; D346-R349 PolarHBondContact OD1-NE 2.83Å; D346-R349 VanDerWaalsContact OD1-NE 3.14Å; D346-R349 IonicContact OD1-NH2 3.75Å; D346-R349 PolarHBondContact OD1-NH2 3.4Å; D346-R349 IonicContact OD2-NH2 2.65Å; V347-R349 PolarHBondContact O-N 3.39Å; V347-R349 VanDerWaalsContact O-N 3.09Å; R349-D351 PolarHBondContact O-N 3.15Å; R349-D606 IonicContact CZ-OD2 3.88Å; R349-D606 IonicContact NH1-OD1 3.17Å; R349-D606 PolarHBondContact NH1-OD1 2.9Å; R349-D606 IonicContact NH1-OD2 3.56Å; R349-D606 PolarHBondContact NH1-OD2 3.22Å
350	T	95.3	Very high	93.9	Very high	3 Å²	3	58 Å²	58	2%	0.018	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	120	-173.3	-58.3	0	0	0	0	111.9	D346 V347 R352 L368 N389 A393	D346-T350 PolarHBondContact O-N 2.85Å; D346-T350 PolarHBondContact O-OG1 2.84Å; V347-T350 WeakPolarHBondContact O-CB 3.36Å; V347-T350 PolarHBondContact O-N 2.64Å; V347-T350 PolarHBondContact O-OG1 2.96Å; T350-R352 WeakPolarHBondContact O-CD 3.34Å; T350-R352 PolarHBondContact O-N 3.33Å; T350-L368 HydrophobicContact CG2-CD2 3.88Å; T350-N389 PolarHBondContact OG1-ND2 3.24Å; T350-A393 HydrophobicContact CG2-CB 3.69Å
351	D	94.6	Very high	93.9	Very high	37 Å²	37	60.1 Å²	60.1	20%	0.198	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.5	38.8	167.1	-66.5	-29.4	0	0	0	116.4	R349 K353 T354 Y357 K469 Y474	R349-D351 PolarHBondContact O-N 3.15Å; D351-K353 PolarHBondContact O-N 3.49Å; D351-T354 WeakPolarHBondContact O-CB 3.28Å; D351-T354 PolarHBondContact O-N 3.37Å; D351-Y357 HydrophobicContact CB-CD2 4.13Å; D351-K469 IonicContact OD1-NZ 2.86Å; D351-K469 PolarHBondContact OD1-NZ 3.15Å; D351-K469 VanDerWaalsContact OD1-NZ 3.16Å; D351-K469 IonicContact OD2-NZ 3.15Å; D351-K469 PolarHBondContact OD2-NZ 2.89Å; D351-Y474 HydrophobicContact CB-CE2 4.29Å; D351-Y474 WeakPolarHBondContact CB-OH 3.39Å; D351-Y474 VanDerWaalsContact CG-OH 3.26Å; D351-Y474 VanDerWaalsContact OD2-CE2 3.28Å; D351-Y474 WeakPolarHBondContact OD2-CE2 3.28Å; D351-Y474 VanDerWaalsContact OD2-CZ 3.28Å; D351-Y474 PolarHBondContact OD2-OH 2.79Å
352	R	95.3	Very high	94.1	Very high	115 Å²	115	64.1 Å²	64.1	43%	0.434	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-11.7	-174.2	-57.9	-56.7	-61.1	-77.3	-5.5	115.3	P348 T350 T354 Y357 S358	P348-R352 VanDerWaalsContact O-CD 3.3Å; P348-R352 WeakPolarHBondContact O-CD 3.49Å; P348-R352 PolarHBondContact O-NH1 2.97Å; T350-R352 WeakPolarHBondContact O-CD 3.34Å; T350-R352 PolarHBondContact O-N 3.33Å; R352-T354 VanDerWaalsContact C-N 3.34Å; R352-Y357 WeakPolarHBondContact CD-O 3.49Å; R352-Y357 PolarHBondContact NE-O 2.82Å; R352-S358 PolarHBondContact NE-O 3.41Å; R352-S358 PolarHBondContact NH2-O 3.16Å
353	K	92	Very high	94.4	Very high	206 Å²	206	64.7 Å²	64.7	90%	0.896	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-14.1	174	-64.6	178.3	-178.3	170.2	0	113	D351	D351-K353 PolarHBondContact O-N 3.49Å
354	T	92.2	Very high	94.5	Very high	34 Å²	34	65.1 Å²	65.1	21%	0.209	33%	0.332	C	S	.	.	S	Bend	trans	-92	130.8	178.5	-55.9	0	0	0	0	109.5	D351 R352 F356 Y357 S358 Y397 Y474	D351-T354 WeakPolarHBondContact O-CB 3.28Å; D351-T354 PolarHBondContact O-N 3.37Å; R352-T354 VanDerWaalsContact C-N 3.34Å; T354-F356 HydrophobicContact CG2-CB 4.16Å; T354-F356 PolarHBondContact O-N 2.98Å; T354-Y357 CarbonylContact O-C 3.55Å; T354-Y357 PolarHBondContact O-N 2.66Å; T354-S358 PolarHBondContact O-N 2.89Å; T354-Y397 HydrophobicContact CG2-CD2 4.45Å; T354-Y397 HydrophobicContact CG2-CE2 4.16Å; T354-Y474 HydrophobicContact CG2-CE1 4.16Å
355	D	94	Very high	94.7	Very high	144 Å²	144	62.3 Å²	62.3	77%	0.77	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-29.6	-179.9	-63.1	-14.6	0	0	0	113.9	Y357 S358	D355-Y357 VanDerWaalsContact C-N 3.3Å; D355-Y357 PolarHBondContact O-N 3.33Å; D355-S358 PolarHBondContact O-OG 3.01Å; D355-S358 VanDerWaalsContact O-OG 3.12Å
356	F	96.1	Very high	95	Very high	30 Å²	30	60.2 Å²	60.2	13%	0.132	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-27.3	178.4	-166.7	-90.6	0	0	0	113.3	T354 N364 L396 Y397 K400	T354-F356 HydrophobicContact CG2-CB 4.16Å; T354-F356 PolarHBondContact O-N 2.98Å; F356-N364 HydrophobicContact CD1-CB 4.03Å; F356-N364 HydrophobicContact CE1-CB 3.8Å; F356-N364 HydrophobicContact CZ-CB 4.36Å; F356-N364 WeakPolarHBondContact O-CB 3.37Å; F356-N364 PolarHBondContact O-ND2 2.99Å; F356-L396 HydrophobicContact CE1-CG 4.23Å; F356-Y397 HydrophobicContact CB-CD2 3.58Å; F356-Y397 HydrophobicContact CB-CE2 3.84Å; F356-Y397 HydrophobicContact CD1-CD2 4.15Å; F356-Y397 AromaticContact CD2-CD2 4Å; F356-Y397 HydrophobicContact CD2-CD2 4Å; F356-Y397 HydrophobicContact CD2-CE2 4.42Å; F356-Y397 AromaticContact CG-CD2 3.65Å; F356-Y397 HydrophobicContact CG-CD2 3.65Å; F356-Y397 HydrophobicContact CG-CE2 4.26Å; F356-K400 HydrophobicContact CE2-CG 4.37Å
357	Y	97.1	Very high	95.2	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122	10.9	-179	-63.3	-62.2	0	0	0	112.5	D351 R352 T354 D355 D359 N364 L365 A393 L396 Y474	D351-Y357 HydrophobicContact CB-CD2 4.13Å; R352-Y357 WeakPolarHBondContact CD-O 3.49Å; R352-Y357 PolarHBondContact NE-O 2.82Å; T354-Y357 CarbonylContact O-C 3.55Å; T354-Y357 PolarHBondContact O-N 2.66Å; D355-Y357 VanDerWaalsContact C-N 3.3Å; D355-Y357 PolarHBondContact O-N 3.33Å; Y357-D359 PolarHBondContact O-N 3.29Å; Y357-N364 HydrophobicContact CD1-CB 4.08Å; Y357-N364 HydrophobicContact CE1-CB 4.1Å; Y357-L365 HydrophobicContact CD1-CD2 3.74Å; Y357-L365 HydrophobicContact CD1-CG 4.3Å; Y357-L365 HydrophobicContact CG-CD2 4.31Å; Y357-A393 HydrophobicContact CE2-CB 3.89Å; Y357-A393 WeakPolarHBondContact OH-CA 3.34Å; Y357-A393 PolarHBondContact OH-O 2.88Å; Y357-L396 HydrophobicContact CE1-CD2 4.42Å; Y357-L396 WeakPolarHBondContact OH-CB 3.37Å; Y357-Y474 WeakPolarHBondContact CE2-OH 3.39Å
358	S	95.1	Very high	95.3	Very high	46 Å²	46	62.6 Å²	62.6	32%	0.322	32%	0.322	S	S	.	.	S	Bend	trans	-61.4	-35.7	-177.6	58	0	0	0	0	111.9	R352 T354 D355	R352-S358 PolarHBondContact NE-O 3.41Å; R352-S358 PolarHBondContact NH2-O 3.16Å; T354-S358 PolarHBondContact O-N 2.89Å; D355-S358 PolarHBondContact O-OG 3.01Å; D355-S358 VanDerWaalsContact O-OG 3.12Å
359	D	93.5	Very high	95.4	Very high	74 Å²	74	60.4 Å²	60.4	40%	0.396	31%	0.308	S	S	.	.			trans	-147.4	-178.9	170.4	61.9	57	0	0	0	110.3	Y357 S361	Y357-D359 PolarHBondContact O-N 3.29Å; D359-S361 WeakPolarHBondContact OD1-CB 3.47Å; D359-S361 PolarHBondContact OD1-N 3.4Å; D359-S361 PolarHBondContact OD1-OG 2.88Å
360	D	94.9	Very high	95.7	Very high	61 Å²	61	56.7 Å²	56.7	33%	0.326	30%	0.295	S	S	.	.	S	Bend	trans	-105.6	20.9	178.1	-156.2	34.8	0	0	0	113.5	H362 G363 N364 L365 T366	D360-H362 PolarHBondContact O-N 2.97Å; D360-G363 PolarHBondContact O-N 3.49Å; D360-G363 WeakPolarHBondContact OD1-CA 3.49Å; D360-N364 PolarHBondContact OD1-N 3.38Å; D360-L365 HydrophobicContact CB-CB 4.16Å; D360-L365 HydrophobicContact CB-CD1 4.21Å; D360-L365 WeakPolarHBondContact OD1-CA 3.48Å; D360-L365 WeakPolarHBondContact OD1-CB 3.31Å; D360-L365 PolarHBondContact OD1-N 3.48Å; D360-T366 PolarHBondContact OD1-N 2.85Å; D360-T366 WeakPolarHBondContact OD2-CB 3.47Å; D360-T366 PolarHBondContact OD2-N 2.89Å; D360-T366 PolarHBondContact OD2-OG1 3.28Å
361	S	92.8	Very high	95.8	Very high	88 Å²	88	56.6 Å²	56.6	62%	0.615	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-31	179.3	63.3	0	0	0	0	112.6	D359	D359-S361 WeakPolarHBondContact OD1-CB 3.47Å; D359-S361 PolarHBondContact OD1-N 3.4Å; D359-S361 PolarHBondContact OD1-OG 2.88Å
362	H	93.6	Very high	96	Very high	144 Å²	144	54.8 Å²	54.8	67%	0.667	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	3.6	175.2	-62.1	-54.5	0	0	0	113.9	D360 N364	D360-H362 PolarHBondContact O-N 2.97Å; H362-N364 VanDerWaalsContact C-N 3.26Å; H362-N364 PolarHBondContact O-N 3.26Å
363	G	96.3	Very high	96.1	Very high	22 Å²	22	49.5 Å²	49.5	23%	0.227	27%	0.265	C	S	.	.	S	Bend	trans	68.8	19.1	-178.2	0	0	0	0	0	114.3	D360 T366 R367	D360-G363 PolarHBondContact O-N 3.49Å; D360-G363 WeakPolarHBondContact OD1-CA 3.49Å; G363-T366 PolarHBondContact O-N 3.2Å; G363-R367 WeakPolarHBondContact O-CB 3.48Å; G363-R367 VanDerWaalsContact O-CG 3.27Å; G363-R367 WeakPolarHBondContact O-CG 3.37Å; G363-R367 PolarHBondContact O-N 2.91Å
364	N	97.4	Very high	96.4	Very high	9 Å²	9	39.7 Å²	39.7	5%	0.048	22%	0.222	C	C	.	.	H	α-helix	trans	-70.7	-38.7	-176.6	-67.2	-23.3	0	0	0	112.8	F356 Y357 D360 H362 R367 L368	F356-N364 HydrophobicContact CD1-CB 4.03Å; F356-N364 HydrophobicContact CE1-CB 3.8Å; F356-N364 HydrophobicContact CZ-CB 4.36Å; F356-N364 WeakPolarHBondContact O-CB 3.37Å; F356-N364 PolarHBondContact O-ND2 2.99Å; Y357-N364 HydrophobicContact CD1-CB 4.08Å; Y357-N364 HydrophobicContact CE1-CB 4.1Å; D360-N364 PolarHBondContact OD1-N 3.38Å; H362-N364 VanDerWaalsContact C-N 3.26Å; H362-N364 PolarHBondContact O-N 3.26Å; N364-R367 PolarHBondContact OD1-NH2 3.31Å; N364-L368 PolarHBondContact O-N 3.03Å
365	L	97.6	Very high	96.6	Very high	17 Å²	17	38.1 Å²	38.1	9%	0.089	21%	0.212	C	C	.	.	H	α-helix	trans	-71.7	-38.8	173.7	-66.3	171.8	0	0	0	110	V347 Y357 D360 R367 L368 S369	V347-L365 HydrophobicContact CG1-CB 4.07Å; V347-L365 HydrophobicContact CG1-CD2 4.19Å; V347-L365 WeakPolarHBondContact CG1-O 3.48Å; Y357-L365 HydrophobicContact CD1-CD2 3.74Å; Y357-L365 HydrophobicContact CD1-CG 4.3Å; Y357-L365 HydrophobicContact CG-CD2 4.31Å; D360-L365 HydrophobicContact CB-CB 4.16Å; D360-L365 HydrophobicContact CB-CD1 4.21Å; D360-L365 WeakPolarHBondContact OD1-CA 3.48Å; D360-L365 WeakPolarHBondContact OD1-CB 3.31Å; D360-L365 PolarHBondContact OD1-N 3.48Å; L365-R367 VanDerWaalsContact C-N 3.34Å; L365-R367 PolarHBondContact O-N 3.42Å; L365-L368 WeakPolarHBondContact O-CB 3.26Å; L365-L368 PolarHBondContact O-N 3.26Å; L365-S369 PolarHBondContact O-N 3.32Å
366	T	97.6	Very high	96.6	Very high	66 Å²	66	31.3 Å²	31.3	41%	0.405	18%	0.176	S	C	.	.	H	α-helix	trans	-58.3	-45.4	172.4	-71.9	0	0	0	0	111.5	D360 G363 S369 D370	D360-T366 PolarHBondContact OD1-N 2.85Å; D360-T366 WeakPolarHBondContact OD2-CB 3.47Å; D360-T366 PolarHBondContact OD2-N 2.89Å; D360-T366 PolarHBondContact OD2-OG1 3.28Å; G363-T366 PolarHBondContact O-N 3.2Å; T366-S369 PolarHBondContact O-N 3.4Å; T366-D370 WeakPolarHBondContact O-CB 3.31Å; T366-D370 PolarHBondContact O-N 3.05Å
367	R	98.2	Very high	96.5	Very high	61 Å²	61	30.5 Å²	30.5	23%	0.23	17%	0.173	C	C	.	.	H	α-helix	trans	-65	-39.2	176.3	-73.9	-173.1	-65.4	165.1	5.9	112.7	G363 N364 L365 S369 D370 I371 L396 K400 E402	G363-R367 WeakPolarHBondContact O-CB 3.48Å; G363-R367 VanDerWaalsContact O-CG 3.27Å; G363-R367 WeakPolarHBondContact O-CG 3.37Å; G363-R367 PolarHBondContact O-N 2.91Å; N364-R367 PolarHBondContact OD1-NH2 3.31Å; L365-R367 VanDerWaalsContact C-N 3.34Å; L365-R367 PolarHBondContact O-N 3.42Å; R367-S369 VanDerWaalsContact C-N 3.33Å; R367-S369 PolarHBondContact O-N 3.28Å; R367-D370 PolarHBondContact O-N 2.97Å; R367-I371 VanDerWaalsContact O-CG1 3.26Å; R367-I371 WeakPolarHBondContact O-CG1 3.43Å; R367-I371 PolarHBondContact O-N 3.04Å; R367-L396 HydrophobicContact CB-CD2 4.06Å; R367-K400 PolarHBondContact NH1-O 3.1Å; R367-E402 HydrophobicContact CB-CG 4.27Å; R367-E402 HydrophobicContact CG-CG 4.24Å
368	L	98.6	Very high	96.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.9	-48.1	173.8	-168	74.6	0	0	0	110.9	V347 T350 N364 L365 L372 L392 A393 L396	V347-L368 HydrophobicContact CG1-CB 4.48Å; V347-L368 HydrophobicContact CG1-CD2 4.25Å; V347-L368 HydrophobicContact CG2-CD2 4.21Å; V347-L368 HydrophobicContact CG2-CG 4.41Å; T350-L368 HydrophobicContact CG2-CD2 3.88Å; N364-L368 PolarHBondContact O-N 3.03Å; L365-L368 WeakPolarHBondContact O-CB 3.26Å; L365-L368 PolarHBondContact O-N 3.26Å; L368-L372 HydrophobicContact CG-CD1 4.49Å; L368-L372 WeakPolarHBondContact O-CG 3.4Å; L368-L372 PolarHBondContact O-N 3.12Å; L368-L392 HydrophobicContact CD1-CB 4.05Å; L368-L392 HydrophobicContact CD1-CD2 3.53Å; L368-L392 HydrophobicContact CD1-CG 3.55Å; L368-L392 HydrophobicContact CG-CD2 4.2Å; L368-A393 HydrophobicContact CD1-CB 4.31Å; L368-L396 HydrophobicContact CB-CD2 4.05Å; L368-L396 HydrophobicContact CD1-CD2 4.06Å
369	S	98.3	Very high	96.1	Very high	20 Å²	20	34 Å²	34	14%	0.14	18%	0.182	C	C	.	.	H	α-helix	trans	-61.8	-48.1	176.2	-173.4	0	0	0	0	112.3	L365 T366 R367 I371 L372 I373	L365-S369 PolarHBondContact O-N 3.32Å; T366-S369 PolarHBondContact O-N 3.4Å; R367-S369 VanDerWaalsContact C-N 3.33Å; R367-S369 PolarHBondContact O-N 3.28Å; S369-I371 VanDerWaalsContact C-N 3.3Å; S369-I371 PolarHBondContact O-N 3.4Å; S369-L372 PolarHBondContact O-N 3.02Å; S369-I373 VanDerWaalsContact O-CG1 3.29Å; S369-I373 WeakPolarHBondContact O-CG1 3.47Å; S369-I373 PolarHBondContact O-N 3.24Å
370	D	98.4	Very high	95.7	Very high	14 Å²	14	34.7 Å²	34.7	8%	0.075	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-41.6	-178.4	-85.7	-6	0	0	0	111.3	K319 W322 K323 T366 R367 T374 E402	K319-D370 WeakPolarHBondContact CE-OD2 3.4Å; K319-D370 IonicContact NZ-OD2 3.26Å; K319-D370 PolarHBondContact NZ-OD2 3.37Å; W322-D370 VanDerWaalsContact CH2-OD1 3.27Å; W322-D370 WeakPolarHBondContact CH2-OD1 3.05Å; W322-D370 HydrophobicContact CZ2-CB 4.33Å; W322-D370 WeakPolarHBondContact CZ2-OD1 3.06Å; K323-D370 VanDerWaalsContact CE-OD1 3.27Å; K323-D370 WeakPolarHBondContact CE-OD1 3.28Å; K323-D370 WeakPolarHBondContact CE-OD2 3.39Å; K323-D370 IonicContact NZ-OD1 3.23Å; K323-D370 PolarHBondContact NZ-OD1 3.39Å; K323-D370 IonicContact NZ-OD2 2.72Å; K323-D370 PolarHBondContact NZ-OD2 3.34Å; T366-D370 WeakPolarHBondContact O-CB 3.31Å; T366-D370 PolarHBondContact O-N 3.05Å; R367-D370 PolarHBondContact O-N 2.97Å; D370-T374 VanDerWaalsContact O-CB 3.27Å; D370-T374 WeakPolarHBondContact O-CB 3.23Å; D370-T374 PolarHBondContact O-N 3.19Å; D370-T374 PolarHBondContact O-OG1 3.5Å; D370-E402 WeakPolarHBondContact CB-OE1 3.27Å
371	I	98.8	Very high	95	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-47.3	176.8	-67.7	168.3	0	0	0	111.2	R367 S369 I373 T374 Y375 L392 L396 E402 F406	R367-I371 VanDerWaalsContact O-CG1 3.26Å; R367-I371 WeakPolarHBondContact O-CG1 3.43Å; R367-I371 PolarHBondContact O-N 3.04Å; S369-I371 VanDerWaalsContact C-N 3.3Å; S369-I371 PolarHBondContact O-N 3.4Å; I371-I373 PolarHBondContact O-N 2.95Å; I371-T374 PolarHBondContact O-N 3.42Å; I371-Y375 WeakPolarHBondContact O-CB 2.87Å; I371-Y375 PolarHBondContact O-N 3.24Å; I371-L392 HydrophobicContact CB-CD2 3.75Å; I371-L392 HydrophobicContact CD1-CD1 4.35Å; I371-L392 HydrophobicContact CD1-CD2 4.5Å; I371-L392 HydrophobicContact CG2-CD1 3.71Å; I371-L392 HydrophobicContact CG2-CD2 3.46Å; I371-L392 VanDerWaalsContact CG2-CD2 3.46Å; I371-L392 HydrophobicContact CG2-CG 4.25Å; I371-L396 HydrophobicContact CD1-CD1 4.13Å; I371-L396 HydrophobicContact CD1-CD2 4.33Å; I371-E402 HydrophobicContact CD1-CG 3.8Å; I371-E402 WeakPolarHBondContact CD1-O 3.17Å; I371-E402 HydrophobicContact CG1-CG 3.63Å; I371-F406 HydrophobicContact CG1-CB 4.42Å; I371-F406 HydrophobicContact CG2-CB 4.04Å; I371-F406 HydrophobicContact CG2-CD2 4.01Å
372	L	98.4	Very high	94.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-40.4	-179.2	-69	170.3	0	0	0	112.4	I343 V347 L368 S369 Y375 T376 Y384 M388 N389 L392 F409	I343-L372 HydrophobicContact CD1-CB 3.78Å; I343-L372 HydrophobicContact CG1-CB 4.09Å; I343-L372 HydrophobicContact CG2-CB 4.04Å; I343-L372 HydrophobicContact CG2-CD1 4.07Å; V347-L372 HydrophobicContact CG2-CD1 3.86Å; L368-L372 HydrophobicContact CG-CD1 4.49Å; L368-L372 WeakPolarHBondContact O-CG 3.4Å; L368-L372 PolarHBondContact O-N 3.12Å; S369-L372 PolarHBondContact O-N 3.02Å; L372-Y375 PolarHBondContact O-N 3.09Å; L372-T376 PolarHBondContact O-N 2.74Å; L372-T376 PolarHBondContact O-OG1 3.42Å; L372-Y384 HydrophobicContact CB-CD2 4.44Å; L372-Y384 HydrophobicContact CD1-CE2 3.91Å; L372-Y384 HydrophobicContact CD2-CD2 4.07Å; L372-Y384 HydrophobicContact CD2-CE2 3.93Å; L372-Y384 HydrophobicContact CG-CE2 4.37Å; L372-M388 HydrophobicContact CD2-CB 4.38Å; L372-N389 HydrophobicContact CD1-CB 3.91Å; L372-L392 HydrophobicContact CD1-CD2 4.4Å; L372-L392 HydrophobicContact CD2-CB 4.3Å; L372-L392 HydrophobicContact CD2-CD2 3.71Å; L372-L392 HydrophobicContact CG-CD2 3.62Å; L372-F409 HydrophobicContact CD2-CE1 4.24Å; L372-F409 HydrophobicContact CD2-CZ 4.15Å
373	I	97.3	Very high	94.3	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.015	15%	0.15	C	C	.	.	H	α-helix	trans	-66.7	-42.1	175.6	-62.6	169.5	0	0	0	109.8	W322 F336 K340 I343 S369 I371 Y375 T376 I377	W322-I373 HydrophobicContact CB-CG2 4.38Å; W322-I373 HydrophobicContact CD2-CB 4.31Å; W322-I373 HydrophobicContact CD2-CG2 3.37Å; W322-I373 HydrophobicContact CE3-CG2 3.67Å; W322-I373 HydrophobicContact CG-CG2 3.7Å; W322-I373 HydrophobicContact CH2-CB 4.36Å; W322-I373 HydrophobicContact CH2-CD1 3.87Å; W322-I373 HydrophobicContact CH2-CG2 4.22Å; W322-I373 HydrophobicContact CZ2-CB 4.03Å; W322-I373 HydrophobicContact CZ2-CD1 4.37Å; W322-I373 HydrophobicContact CZ2-CG2 3.98Å; W322-I373 HydrophobicContact CZ3-CD1 4.02Å; W322-I373 HydrophobicContact CZ3-CG2 4.08Å; F336-I373 HydrophobicContact CE2-CG2 3.76Å; F336-I373 HydrophobicContact CZ-CG2 3.84Å; K340-I373 HydrophobicContact CG-CD1 4.15Å; K340-I373 HydrophobicContact CG-CG1 4.37Å; I343-I373 HydrophobicContact CD1-CG1 3.87Å; I343-I373 HydrophobicContact CG2-CG1 4.32Å; S369-I373 VanDerWaalsContact O-CG1 3.29Å; S369-I373 WeakPolarHBondContact O-CG1 3.47Å; S369-I373 PolarHBondContact O-N 3.24Å; I371-I373 PolarHBondContact O-N 2.95Å; I373-Y375 VanDerWaalsContact C-N 3.29Å; I373-Y375 PolarHBondContact O-N 3.32Å; I373-T376 WeakPolarHBondContact O-CB 3.39Å; I373-T376 PolarHBondContact O-N 2.82Å; I373-T376 VanDerWaalsContact O-N 3.15Å; I373-I377 PolarHBondContact O-N 3.46Å
374	T	98.1	Very high	94.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.1	-37.2	176.6	-54.5	0	0	0	0	111.3	Y315 L318 K319 W322 D370 I371 T376 I377 Y378 F406	Y315-T374 HydrophobicContact CD2-CG2 3.79Å; Y315-T374 HydrophobicContact CE2-CG2 3.67Å; L318-T374 HydrophobicContact CB-CG2 3.63Å; K319-T374 HydrophobicContact CB-CG2 4.35Å; W322-T374 PolarHBondContact NE1-OG1 3.25Å; D370-T374 VanDerWaalsContact O-CB 3.27Å; D370-T374 WeakPolarHBondContact O-CB 3.23Å; D370-T374 PolarHBondContact O-N 3.19Å; D370-T374 PolarHBondContact O-OG1 3.5Å; I371-T374 PolarHBondContact O-N 3.42Å; T374-T376 VanDerWaalsContact C-N 3.33Å; T374-T376 PolarHBondContact O-N 3.29Å; T374-I377 PolarHBondContact O-N 3.26Å; T374-Y378 PolarHBondContact O-N 3.19Å; T374-F406 HydrophobicContact CG2-CD2 4.19Å; T374-F406 HydrophobicContact CG2-CE2 3.76Å; T374-F406 HydrophobicContact CG2-CZ 4.27Å
375	Y	97.4	Very high	93.7	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-66	-37.5	175.1	-177.4	-91.5	0	0	0	111.7	I371 L372 I373 I377 Y378 N379 F382 G383 M388 F409 V410 M413	I371-Y375 WeakPolarHBondContact O-CB 2.87Å; I371-Y375 PolarHBondContact O-N 3.24Å; L372-Y375 PolarHBondContact O-N 3.09Å; I373-Y375 VanDerWaalsContact C-N 3.29Å; I373-Y375 PolarHBondContact O-N 3.32Å; Y375-I377 PolarHBondContact O-N 2.9Å; Y375-Y378 HydrophobicContact CD2-CD1 4.3Å; Y375-Y378 HydrophobicContact CE2-CD1 4.23Å; Y375-Y378 WeakPolarHBondContact O-CB 3.43Å; Y375-Y378 PolarHBondContact O-N 3.31Å; Y375-Y378 VanDerWaalsContact O-N 3.1Å; Y375-N379 PolarHBondContact O-N 3.04Å; Y375-F382 AromaticContact CE1-CD1 3.77Å; Y375-F382 HydrophobicContact CE1-CD1 3.77Å; Y375-F382 HydrophobicContact CE1-CE1 4.01Å; Y375-G383 WeakPolarHBondContact CD1-O 3.41Å; Y375-G383 WeakPolarHBondContact CE1-O 2.95Å; Y375-M388 HydrophobicContact CD1-CE 3.49Å; Y375-M388 VanDerWaalsContact CD1-CE 3.49Å; Y375-M388 HydrophobicContact CE1-CE 3.39Å; Y375-M388 HydrophobicContact CG-CE 4.48Å; Y375-F409 HydrophobicContact CD1-CE1 4.06Å; Y375-F409 AromaticContact CD2-CD1 3.88Å; Y375-F409 HydrophobicContact CD2-CD1 3.88Å; Y375-F409 AromaticContact CD2-CE1 3.87Å; Y375-F409 HydrophobicContact CD2-CE1 3.87Å; Y375-F409 HydrophobicContact CE1-CE1 4.47Å; Y375-F409 HydrophobicContact CE2-CD1 4.42Å; Y375-F409 HydrophobicContact CE2-CE1 4.31Å; Y375-F409 HydrophobicContact CG-CD1 4.12Å; Y375-F409 AromaticContact CG-CE1 3.75Å; Y375-F409 HydrophobicContact CG-CE1 3.75Å; Y375-V410 HydrophobicContact CD2-CG2 3.86Å; Y375-V410 HydrophobicContact CE2-CG2 4Å; Y375-M413 HydrophobicContact CE1-CG 4.33Å; Y375-M413 HydrophobicContact CE2-CB 3.94Å; Y375-M413 HydrophobicContact CE2-CG 3.96Å; Y375-M413 WeakPolarHBondContact OH-CB 3.44Å
376	T	93.9	Very high	93	Very high	2 Å²	2	27 Å²	27	1%	0.012	14%	0.135	C	C	.	.	H	α-helix	trans	-61.1	-31.6	174.7	-60	0	0	0	0	112.6	F336 R339 L372 I373 T374 N379 M380	F336-T376 HydrophobicContact CD2-CG2 4.21Å; R339-T376 HydrophobicContact CB-CG2 4Å; L372-T376 PolarHBondContact O-N 2.74Å; L372-T376 PolarHBondContact O-OG1 3.42Å; I373-T376 WeakPolarHBondContact O-CB 3.39Å; I373-T376 PolarHBondContact O-N 2.82Å; I373-T376 VanDerWaalsContact O-N 3.15Å; T374-T376 VanDerWaalsContact C-N 3.33Å; T374-T376 PolarHBondContact O-N 3.29Å; T376-N379 CarbonylContact O-C 3.57Å; T376-M380 WeakPolarHBondContact O-CA 3.23Å; T376-M380 PolarHBondContact O-N 3.14Å
377	I	92.6	Very high	92.6	Very high	13 Å²	13	23.9 Å²	23.9	7%	0.067	12%	0.116	C	C	.	.	H	α-helix	trans	-79.8	-37.2	172.8	-60.9	-59.2	0	0	0	111.9	L318 F321 W322 F336 I373 T374 Y375 M380	L318-I377 HydrophobicContact CD2-CG2 3.95Å; F321-I377 HydrophobicContact CD1-CD1 4.19Å; F321-I377 HydrophobicContact CD1-CG1 4.44Å; F321-I377 HydrophobicContact CD1-CG2 3.77Å; F321-I377 HydrophobicContact CE1-CD1 4.13Å; F321-I377 HydrophobicContact CE1-CG2 4.26Å; W322-I377 HydrophobicContact CB-CD1 4.13Å; W322-I377 HydrophobicContact CB-CG1 3.85Å; W322-I377 HydrophobicContact CG-CG1 4.23Å; F336-I377 HydrophobicContact CD2-CD1 3.6Å; F336-I377 HydrophobicContact CE2-CD1 3.58Å; F336-I377 HydrophobicContact CE2-CG1 4.16Å; I373-I377 PolarHBondContact O-N 3.46Å; T374-I377 PolarHBondContact O-N 3.26Å; Y375-I377 PolarHBondContact O-N 2.9Å; I377-M380 WeakPolarHBondContact O-CG 3.49Å
378	Y	94.1	Very high	92.5	Very high	84 Å²	84	21 Å²	21	33%	0.329	11%	0.105	S	C	.	.	H	α-helix	trans	-60.8	-47.5	178	176.5	-105.7	0	0	0	111.8	L318 T374 Y375 F406 W407 V410	L318-Y378 HydrophobicContact CD1-CD2 3.81Å; L318-Y378 HydrophobicContact CD1-CG 4.43Å; T374-Y378 PolarHBondContact O-N 3.19Å; Y375-Y378 HydrophobicContact CD2-CD1 4.3Å; Y375-Y378 HydrophobicContact CE2-CD1 4.23Å; Y375-Y378 WeakPolarHBondContact O-CB 3.43Å; Y375-Y378 PolarHBondContact O-N 3.31Å; Y375-Y378 VanDerWaalsContact O-N 3.1Å; Y378-F406 HydrophobicContact CD2-CZ 4.33Å; Y378-F406 AromaticContact CG-CZ 3.99Å; Y378-F406 HydrophobicContact CG-CZ 3.99Å; Y378-W407 HydrophobicContact CD2-CH2 4.43Å; Y378-W407 AromaticContact CE2-CH2 3.91Å; Y378-W407 HydrophobicContact CE2-CH2 3.91Å; Y378-W407 HydrophobicContact CE2-CZ3 4.03Å; Y378-V410 HydrophobicContact CD1-CG2 4.05Å; Y378-V410 HydrophobicContact CE1-CG1 3.72Å; Y378-V410 HydrophobicContact CE1-CG2 3.97Å
379	N	89.6	Confident	92.3	Very high	34 Å²	34	21.1 Å²	21.1	18%	0.182	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	81.6	175.7	-171.3	-15.3	0	0	0	109.3	Y375 T376 D381 F382 G383 E417	Y375-N379 PolarHBondContact O-N 3.04Å; T376-N379 CarbonylContact O-C 3.57Å; N379-D381 VanDerWaalsContact C-N 3.3Å; N379-D381 PolarHBondContact O-N 3.48Å; N379-F382 HydrophobicContact CB-CB 4.32Å; N379-F382 WeakPolarHBondContact ND2-CB 3.39Å; N379-F382 PolarHBondContact O-N 3.39Å; N379-F382 VanDerWaalsContact OD1-CB 3.28Å; N379-F382 WeakPolarHBondContact OD1-CB 3.07Å; N379-F382 PolarHBondContact OD1-N 3.37Å; N379-F382 VanDerWaalsContact OD1-N 3.12Å; N379-G383 WeakPolarHBondContact O-CA 2.86Å; N379-G383 PolarHBondContact O-N 3.05Å; N379-E417 PolarHBondContact ND2-OE2 3.19Å
380	M	85.1	Confident	92.2	Very high	90 Å²	90	20.3 Å²	20.3	44%	0.443	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.2	-177.5	-69.4	-171.2	-64.6	0	0	114.1	F333 R339 T376 I377	F333-M380 HydrophobicContact CZ-SD 4.03Å; R339-M380 VanDerWaalsContact CZ-O 3.31Å; R339-M380 PolarHBondContact NH1-O 2.93Å; R339-M380 PolarHBondContact NH2-O 3.07Å; R339-M380 VanDerWaalsContact NH2-O 3.12Å; T376-M380 WeakPolarHBondContact O-CA 3.23Å; T376-M380 PolarHBondContact O-N 3.14Å; I377-M380 WeakPolarHBondContact O-CG 3.49Å
381	D	81.2	Confident	92.2	Very high	151 Å²	151	19.7 Å²	19.7	81%	0.807	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-39.9	177.2	-68.6	-27.3	0	0	0	110	R339 N379	R339-D381 PolarHBondContact NH2-O 3.12Å; N379-D381 VanDerWaalsContact C-N 3.3Å; N379-D381 PolarHBondContact O-N 3.48Å
382	F	84.9	Confident	92.2	Very high	15 Å²	15	19.7 Å²	19.7	7%	0.066	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-62.9	176	-177.3	-98.7	0	0	0	112.5	R339 Y375 N379 F385 M388 M413 E417 F420	R339-F382 PolarHBondContact NH2-O 2.82Å; Y375-F382 AromaticContact CE1-CD1 3.77Å; Y375-F382 HydrophobicContact CE1-CD1 3.77Å; Y375-F382 HydrophobicContact CE1-CE1 4.01Å; N379-F382 HydrophobicContact CB-CB 4.32Å; N379-F382 WeakPolarHBondContact ND2-CB 3.39Å; N379-F382 PolarHBondContact O-N 3.39Å; N379-F382 VanDerWaalsContact OD1-CB 3.28Å; N379-F382 WeakPolarHBondContact OD1-CB 3.07Å; N379-F382 PolarHBondContact OD1-N 3.37Å; N379-F382 VanDerWaalsContact OD1-N 3.12Å; F382-F385 HydrophobicContact CD1-CD2 4.26Å; F382-F385 HydrophobicContact CD1-CE2 4.19Å; F382-F385 HydrophobicContact CD2-CD2 4.23Å; F382-F385 AromaticContact CD2-CE2 3.66Å; F382-F385 HydrophobicContact CD2-CE2 3.66Å; F382-F385 AromaticContact CE1-CD2 3.76Å; F382-F385 HydrophobicContact CE1-CD2 3.76Å; F382-F385 HydrophobicContact CE1-CE2 4.1Å; F382-F385 AromaticContact CE2-CD2 3.69Å; F382-F385 HydrophobicContact CE2-CD2 3.69Å; F382-F385 AromaticContact CE2-CE2 3.5Å; F382-F385 HydrophobicContact CE2-CE2 3.5Å; F382-F385 HydrophobicContact CG-CD2 4.49Å; F382-F385 HydrophobicContact CG-CE2 4.01Å; F382-F385 AromaticContact CZ-CD2 3.45Å; F382-F385 HydrophobicContact CZ-CD2 3.45Å; F382-F385 VanDerWaalsContact CZ-CD2 3.45Å; F382-F385 AromaticContact CZ-CE2 3.77Å; F382-F385 HydrophobicContact CZ-CE2 3.77Å; F382-F385 WeakPolarHBondContact O-CE2 3.41Å; F382-M388 HydrophobicContact CE1-CE 3.93Å; F382-M388 HydrophobicContact CE1-SD 3.64Å; F382-M388 HydrophobicContact CZ-SD 4.22Å; F382-M413 HydrophobicContact CE1-CE 3.6Å; F382-M413 HydrophobicContact CZ-CE 3.68Å; F382-E417 HydrophobicContact CD1-CG 4.17Å; F382-E417 HydrophobicContact CD2-CG 3.2Å; F382-E417 HydrophobicContact CE1-CG 4.11Å; F382-E417 HydrophobicContact CE2-CB 4.2Å; F382-E417 HydrophobicContact CE2-CG 3.15Å; F382-E417 WeakPolarHBondContact CE2-O 3.32Å; F382-E417 HydrophobicContact CG-CG 3.73Å; F382-E417 HydrophobicContact CZ-CB 4.37Å; F382-E417 HydrophobicContact CZ-CG 3.61Å; F382-F420 HydrophobicContact CE2-CB 3.66Å; F382-F420 HydrophobicContact CZ-CB 3.53Å; F382-F420 HydrophobicContact CZ-CD2 4.13Å; F382-F420 HydrophobicContact CZ-CG 4.05Å
383	G	87.1	Confident	92.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.			trans	79.5	-130	177	0	0	0	0	0	115.2	R339 Y375 N379	R339-G383 VanDerWaalsContact CZ-CA 3.5Å; Y375-G383 WeakPolarHBondContact CD1-O 3.41Å; Y375-G383 WeakPolarHBondContact CE1-O 2.95Å; N379-G383 WeakPolarHBondContact O-CA 2.86Å; N379-G383 PolarHBondContact O-N 3.05Å
384	Y	91.4	Very high	92.2	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	10%	0.095	C	C	.	.			trans	-118.9	134.4	-179.7	177.8	-96.1	0	0	0	111	F342 I343 D346 L372 M388 N389 N598	F342-Y384 HydrophobicContact CB-CD1 3.72Å; F342-Y384 HydrophobicContact CB-CE1 3.77Å; I343-Y384 HydrophobicContact CD1-CD2 4.06Å; I343-Y384 HydrophobicContact CD1-CG 3.96Å; I343-Y384 HydrophobicContact CG1-CD1 3.74Å; I343-Y384 HydrophobicContact CG1-CD2 3.56Å; I343-Y384 HydrophobicContact CG1-CE1 4.1Å; I343-Y384 HydrophobicContact CG1-CE2 3.91Å; I343-Y384 HydrophobicContact CG1-CG 3.46Å; I343-Y384 VanDerWaalsContact CG1-CG 3.46Å; D346-Y384 VanDerWaalsContact CB-OH 3.31Å; D346-Y384 WeakPolarHBondContact CB-OH 3.3Å; D346-Y384 WeakPolarHBondContact OD2-CE1 3.15Å; D346-Y384 PolarHBondContact OD2-OH 3.48Å; L372-Y384 HydrophobicContact CB-CD2 4.44Å; L372-Y384 HydrophobicContact CD1-CE2 3.91Å; L372-Y384 HydrophobicContact CD2-CD2 4.07Å; L372-Y384 HydrophobicContact CD2-CE2 3.93Å; L372-Y384 HydrophobicContact CG-CE2 4.37Å; Y384-M388 HydrophobicContact CD2-CB 4.02Å; Y384-M388 HydrophobicContact CD2-CE 4.5Å; Y384-M388 HydrophobicContact CD2-SD 4.29Å; Y384-M388 HydrophobicContact CE2-CB 3.7Å; Y384-N389 PolarHBondContact OH-OD1 2.99Å; Y384-N598 PolarHBondContact O-ND2 2.71Å; Y384-N598 VanDerWaalsContact O-ND2 3.07Å
385	F	88.7	Confident	92.2	Very high	11 Å²	11	19.5 Å²	19.5	5%	0.048	10%	0.095	C	C	.	.			trans	-125.2	145.8	169.8	-64.9	-83.3	0	0	0	112	F382 G387 M388 F420 P594 L597 N598 L601	F382-F385 HydrophobicContact CD1-CD2 4.26Å; F382-F385 HydrophobicContact CD1-CE2 4.19Å; F382-F385 HydrophobicContact CD2-CD2 4.23Å; F382-F385 AromaticContact CD2-CE2 3.66Å; F382-F385 HydrophobicContact CD2-CE2 3.66Å; F382-F385 AromaticContact CE1-CD2 3.76Å; F382-F385 HydrophobicContact CE1-CD2 3.76Å; F382-F385 HydrophobicContact CE1-CE2 4.1Å; F382-F385 AromaticContact CE2-CD2 3.69Å; F382-F385 HydrophobicContact CE2-CD2 3.69Å; F382-F385 AromaticContact CE2-CE2 3.5Å; F382-F385 HydrophobicContact CE2-CE2 3.5Å; F382-F385 HydrophobicContact CG-CD2 4.49Å; F382-F385 HydrophobicContact CG-CE2 4.01Å; F382-F385 AromaticContact CZ-CD2 3.45Å; F382-F385 HydrophobicContact CZ-CD2 3.45Å; F382-F385 VanDerWaalsContact CZ-CD2 3.45Å; F382-F385 AromaticContact CZ-CE2 3.77Å; F382-F385 HydrophobicContact CZ-CE2 3.77Å; F382-F385 WeakPolarHBondContact O-CE2 3.41Å; F385-G387 PolarHBondContact O-N 2.91Å; F385-M388 HydrophobicContact CB-SD 4.08Å; F385-M388 HydrophobicContact CD2-SD 4.38Å; F385-M388 PolarHBondContact N-SD 2.88Å; F385-M388 VanDerWaalsContact O-CB 3.24Å; F385-M388 WeakPolarHBondContact O-CB 3.48Å; F385-M388 VanDerWaalsContact O-CG 3.26Å; F385-M388 WeakPolarHBondContact O-CG 3.33Å; F385-M388 PolarHBondContact O-N 2.96Å; F385-M388 VanDerWaalsContact O-N 3.08Å; F385-F420 HydrophobicContact CB-CB 4.12Å; F385-F420 HydrophobicContact CB-CD1 3.55Å; F385-F420 HydrophobicContact CB-CE1 4.32Å; F385-F420 HydrophobicContact CB-CG 4.14Å; F385-F420 HydrophobicContact CD2-CB 3.85Å; F385-F420 HydrophobicContact CE2-CB 4.46Å; F385-F420 HydrophobicContact CG-CB 3.99Å; F385-F420 HydrophobicContact CG-CD1 4.33Å; F385-P594 HydrophobicContact CE1-CB 4.26Å; F385-P594 HydrophobicContact CZ-CB 4.38Å; F385-L597 HydrophobicContact CD1-CB 4.34Å; F385-L597 HydrophobicContact CD1-CD2 3.61Å; F385-L597 HydrophobicContact CD1-CG 4.23Å; F385-L597 HydrophobicContact CE1-CB 4.05Å; F385-L597 HydrophobicContact CE1-CD2 3.33Å; F385-L597 HydrophobicContact CE1-CG 4.16Å; F385-L597 HydrophobicContact CZ-CD2 4.14Å; F385-N598 WeakPolarHBondContact CA-OD1 3.34Å; F385-N598 WeakPolarHBondContact CD1-OD1 3.34Å; F385-L601 HydrophobicContact CB-CD1 3.95Å; F385-L601 HydrophobicContact CD1-CD1 4.19Å; F385-L601 HydrophobicContact CG-CD1 4.48Å
386	Q	84.4	Confident	92.3	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	134.8	178.9	-179.6	166.5	-25.7	0	0	110.8	N598 L601 E602 M605	Q386-N598 PolarHBondContact N-OD1 2.89Å; Q386-L601 HydrophobicContact CB-CB 4.14Å; Q386-E602 VanDerWaalsContact CD-CA 3.47Å; Q386-E602 VanDerWaalsContact NE2-CA 3.34Å; Q386-E602 VanDerWaalsContact OE1-CA 3.25Å; Q386-E602 VanDerWaalsContact OE1-CG 3.25Å; Q386-M605 HydrophobicContact CG-SD 3.94Å
387	G	88.8	Confident	92.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.3	-14.3	-173.4	0	0	0	0	0	114.1	F385 N389 D390 L391	F385-G387 PolarHBondContact O-N 2.91Å; G387-N389 VanDerWaalsContact C-N 3.28Å; G387-N389 PolarHBondContact N-OD1 3.35Å; G387-N389 PolarHBondContact O-N 2.97Å; G387-D390 WeakPolarHBondContact O-CB 3.41Å; G387-D390 PolarHBondContact O-N 3.44Å; G387-L391 PolarHBondContact O-N 2.9Å
388	M	94.8	Very high	92.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.3	-31	171.1	-74.5	175.1	63.3	0	0	112.7	L372 Y375 F382 Y384 F385 D390 L391 L392 F409 M413 F420	L372-M388 HydrophobicContact CD2-CB 4.38Å; Y375-M388 HydrophobicContact CD1-CE 3.49Å; Y375-M388 VanDerWaalsContact CD1-CE 3.49Å; Y375-M388 HydrophobicContact CE1-CE 3.39Å; Y375-M388 HydrophobicContact CG-CE 4.48Å; F382-M388 HydrophobicContact CE1-CE 3.93Å; F382-M388 HydrophobicContact CE1-SD 3.64Å; F382-M388 HydrophobicContact CZ-SD 4.22Å; Y384-M388 HydrophobicContact CD2-CB 4.02Å; Y384-M388 HydrophobicContact CD2-CE 4.5Å; Y384-M388 HydrophobicContact CD2-SD 4.29Å; Y384-M388 HydrophobicContact CE2-CB 3.7Å; F385-M388 HydrophobicContact CB-SD 4.08Å; F385-M388 HydrophobicContact CD2-SD 4.38Å; F385-M388 PolarHBondContact N-SD 2.88Å; F385-M388 VanDerWaalsContact O-CB 3.24Å; F385-M388 WeakPolarHBondContact O-CB 3.48Å; F385-M388 VanDerWaalsContact O-CG 3.26Å; F385-M388 WeakPolarHBondContact O-CG 3.33Å; F385-M388 PolarHBondContact O-N 2.96Å; F385-M388 VanDerWaalsContact O-N 3.08Å; M388-D390 VanDerWaalsContact C-N 3.35Å; M388-L391 PolarHBondContact O-N 2.77Å; M388-L392 PolarHBondContact O-N 2.91Å; M388-F409 HydrophobicContact CB-CZ 4.09Å; M388-F409 HydrophobicContact CE-CE1 3.82Å; M388-F409 HydrophobicContact CE-CZ 3.61Å; M388-F409 HydrophobicContact CG-CZ 4.45Å; M388-M413 HydrophobicContact CE-CE 3.93Å; M388-M413 HydrophobicContact CE-CG 4.36Å; M388-M413 HydrophobicContact CE-SD 4.1Å; M388-M413 HydrophobicContact CG-CE 4.07Å; M388-M413 HydrophobicContact CG-SD 4.18Å; M388-M413 HydrophobicContact SD-CE 4.01Å; M388-F420 HydrophobicContact CG-CE1 4.2Å; M388-F420 HydrophobicContact CG-CZ 4.16Å
389	N	96.1	Very high	93	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.016	10%	0.097	C	C	.	.	H	α-helix	trans	-61.7	-41.8	172	66.5	-54.2	0	0	0	112	D346 T350 L372 Y384 G387 L391 L392 A393	D346-N389 HydrophobicContact CB-CB 4.28Å; T350-N389 PolarHBondContact OG1-ND2 3.24Å; L372-N389 HydrophobicContact CD1-CB 3.91Å; Y384-N389 PolarHBondContact OH-OD1 2.99Å; G387-N389 VanDerWaalsContact C-N 3.28Å; G387-N389 PolarHBondContact N-OD1 3.35Å; G387-N389 PolarHBondContact O-N 2.97Å; N389-L391 VanDerWaalsContact C-N 3.29Å; N389-L391 PolarHBondContact O-N 3.08Å; N389-L392 PolarHBondContact O-N 2.88Å; N389-A393 WeakPolarHBondContact O-CB 3.4Å; N389-A393 PolarHBondContact O-N 3.3Å
390	D	96	Very high	93.3	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-61.2	-40.3	177	-88.7	-51.3	0	0	0	110.9	G387 M388 K469 R470 M605	G387-D390 WeakPolarHBondContact O-CB 3.41Å; G387-D390 PolarHBondContact O-N 3.44Å; M388-D390 VanDerWaalsContact C-N 3.35Å; D390-K469 HydrophobicContact CB-CG 4.2Å; D390-K469 IonicContact OD1-NZ 2.83Å; D390-R470 IonicContact OD1-NE 3.32Å; D390-R470 IonicContact OD2-CZ 2.66Å; D390-R470 IonicContact OD2-NE 3.82Å; D390-R470 PolarHBondContact OD2-NE 3.28Å; D390-R470 IonicContact OD2-NH2 3.97Å; D390-R470 PolarHBondContact OD2-NH2 2.87Å; D390-M605 WeakPolarHBondContact OD2-CE 3.44Å
391	L	97.2	Very high	93.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67	-48.3	176.8	-67.5	177.6	0	0	0	112.1	G387 M388 N389 F409 L412 M413 L416 F420 I466 W481	G387-L391 PolarHBondContact O-N 2.9Å; M388-L391 PolarHBondContact O-N 2.77Å; N389-L391 VanDerWaalsContact C-N 3.29Å; N389-L391 PolarHBondContact O-N 3.08Å; L391-F409 HydrophobicContact CB-CE2 4.19Å; L391-L412 HydrophobicContact CB-CD2 3.98Å; L391-L412 HydrophobicContact CD2-CD2 4.35Å; L391-M413 HydrophobicContact CD1-SD 4.34Å; L391-L416 HydrophobicContact CD1-CD1 3.73Å; L391-L416 HydrophobicContact CD2-CD1 4.17Å; L391-F420 HydrophobicContact CD1-CE2 4.16Å; L391-F420 HydrophobicContact CD1-CZ 3.95Å; L391-I466 HydrophobicContact CD2-CB 4.24Å; L391-I466 HydrophobicContact CG-CG2 4.47Å; L391-W481 HydrophobicContact CD2-CH2 4.01Å; L391-W481 HydrophobicContact CD2-CZ2 3.77Å; L391-W481 WeakPolarHBondContact O-CH2 3.32Å
392	L	98.6	Very high	94.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.3	-36.1	-178.7	176.5	64.4	0	0	0	112.6	L368 I371 L372 M388 N389 L394 I395 L396 F409	L368-L392 HydrophobicContact CD1-CB 4.05Å; L368-L392 HydrophobicContact CD1-CD2 3.53Å; L368-L392 HydrophobicContact CD1-CG 3.55Å; L368-L392 HydrophobicContact CG-CD2 4.2Å; I371-L392 HydrophobicContact CB-CD2 3.75Å; I371-L392 HydrophobicContact CD1-CD1 4.35Å; I371-L392 HydrophobicContact CD1-CD2 4.5Å; I371-L392 HydrophobicContact CG2-CD1 3.71Å; I371-L392 HydrophobicContact CG2-CD2 3.46Å; I371-L392 VanDerWaalsContact CG2-CD2 3.46Å; I371-L392 HydrophobicContact CG2-CG 4.25Å; L372-L392 HydrophobicContact CD1-CD2 4.4Å; L372-L392 HydrophobicContact CD2-CB 4.3Å; L372-L392 HydrophobicContact CD2-CD2 3.71Å; L372-L392 HydrophobicContact CG-CD2 3.62Å; M388-L392 PolarHBondContact O-N 2.91Å; N389-L392 PolarHBondContact O-N 2.88Å; L392-L394 VanDerWaalsContact C-N 3.26Å; L392-L394 PolarHBondContact O-N 3.36Å; L392-I395 PolarHBondContact O-N 3.27Å; L392-L396 PolarHBondContact O-N 2.95Å; L392-F409 HydrophobicContact CB-CD2 3.77Å; L392-F409 HydrophobicContact CB-CE2 3.8Å; L392-F409 HydrophobicContact CB-CG 4.37Å; L392-F409 HydrophobicContact CB-CZ 4.41Å; L392-F409 HydrophobicContact CD1-CB 3.69Å; L392-F409 HydrophobicContact CD1-CD1 4.45Å; L392-F409 HydrophobicContact CD1-CD2 3.9Å; L392-F409 HydrophobicContact CD1-CG 3.75Å; L392-F409 HydrophobicContact CG-CD2 4.38Å
393	A	98.2	Very high	95.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-54.3	-43.1	-175.5	0	0	0	0	0	112.3	T350 Y357 L368 N389 Y397	T350-A393 HydrophobicContact CG2-CB 3.69Å; Y357-A393 HydrophobicContact CE2-CB 3.89Å; Y357-A393 WeakPolarHBondContact OH-CA 3.34Å; Y357-A393 PolarHBondContact OH-O 2.88Å; L368-A393 HydrophobicContact CD1-CB 4.31Å; N389-A393 WeakPolarHBondContact O-CB 3.4Å; N389-A393 PolarHBondContact O-N 3.3Å; A393-Y397 VanDerWaalsContact O-CB 3.29Å; A393-Y397 WeakPolarHBondContact O-CB 3.5Å; A393-Y397 PolarHBondContact O-N 3.5Å
394	L	98.1	Very high	95.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-72.1	-35.4	179.3	-168.1	62.5	0	0	0	112.5	W288 L392 Y397 V398 Y474 T477 M478 W481	W288-L394 HydrophobicContact CH2-CD2 4.34Å; W288-L394 HydrophobicContact CH2-CG 4.16Å; L392-L394 VanDerWaalsContact C-N 3.26Å; L392-L394 PolarHBondContact O-N 3.36Å; L394-Y397 HydrophobicContact CD1-CD1 4.43Å; L394-Y397 PolarHBondContact O-N 2.74Å; L394-V398 WeakPolarHBondContact O-CG2 3.37Å; L394-V398 PolarHBondContact O-N 3.05Å; L394-V398 VanDerWaalsContact O-N 3.15Å; L394-Y474 HydrophobicContact CD1-CD1 3.31Å; L394-Y474 HydrophobicContact CD1-CD2 4.27Å; L394-Y474 HydrophobicContact CD1-CE1 3.7Å; L394-Y474 HydrophobicContact CD1-CG 3.63Å; L394-T477 HydrophobicContact CD2-CG2 3.43Å; L394-T477 VanDerWaalsContact CD2-CG2 3.43Å; L394-M478 HydrophobicContact CD1-CG 3.93Å; L394-M478 HydrophobicContact CD2-CG 4.02Å; L394-M478 HydrophobicContact CG-CG 4.12Å; L394-W481 HydrophobicContact CB-CH2 3.93Å; L394-W481 HydrophobicContact CB-CZ3 3.71Å; L394-W481 HydrophobicContact CD2-CD2 4.15Å; L394-W481 HydrophobicContact CD2-CE3 3.72Å; L394-W481 HydrophobicContact CD2-CH2 4.07Å; L394-W481 HydrophobicContact CD2-CZ2 4.47Å; L394-W481 HydrophobicContact CD2-CZ3 3.71Å; L394-W481 HydrophobicContact CG-CE3 4.44Å; L394-W481 HydrophobicContact CG-CZ3 4.1Å
395	I	98.7	Very high	96.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.5	-50.5	174.2	-66.4	178.1	0	0	0	110.3	W288 L292 L392 Y397 V398 I399 C408 F409 L412 W481	W288-I395 HydrophobicContact CZ3-CG1 4.24Å; L292-I395 HydrophobicContact CD1-CD1 4.08Å; L292-I395 HydrophobicContact CD1-CG1 4.48Å; L392-I395 PolarHBondContact O-N 3.27Å; I395-Y397 VanDerWaalsContact C-N 3.3Å; I395-Y397 PolarHBondContact O-N 2.9Å; I395-V398 PolarHBondContact O-N 2.92Å; I395-V398 VanDerWaalsContact O-N 3.16Å; I395-I399 HydrophobicContact CG2-CG1 3.94Å; I395-I399 WeakPolarHBondContact O-CB 3.23Å; I395-I399 WeakPolarHBondContact O-CG1 3.45Å; I395-I399 PolarHBondContact O-N 2.94Å; I395-C408 HydrophobicContact CG2-CB 3.71Å; I395-F409 HydrophobicContact CD1-CB 4.35Å; I395-F409 HydrophobicContact CD1-CD2 4.32Å; I395-L412 HydrophobicContact CD1-CB 4.03Å; I395-L412 HydrophobicContact CD1-CD2 3.69Å; I395-L412 HydrophobicContact CD1-CG 4.49Å; I395-W481 HydrophobicContact CG1-CZ3 4.38Å
396	L	98.7	Very high	96.8	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65	-35	-179.4	177	61.2	0	0	0	111.8	F356 Y357 R367 L368 I371 L392 V398 K400 S405	F356-L396 HydrophobicContact CE1-CG 4.23Å; Y357-L396 HydrophobicContact CE1-CD2 4.42Å; Y357-L396 WeakPolarHBondContact OH-CB 3.37Å; R367-L396 HydrophobicContact CB-CD2 4.06Å; L368-L396 HydrophobicContact CB-CD2 4.05Å; L368-L396 HydrophobicContact CD1-CD2 4.06Å; I371-L396 HydrophobicContact CD1-CD1 4.13Å; I371-L396 HydrophobicContact CD1-CD2 4.33Å; L392-L396 PolarHBondContact O-N 2.95Å; L396-V398 VanDerWaalsContact C-N 3.34Å; L396-V398 PolarHBondContact O-N 3.38Å; L396-K400 WeakPolarHBondContact O-CA 3.35Å; L396-K400 PolarHBondContact O-N 3.35Å; L396-S405 WeakPolarHBondContact CD1-OG 3.46Å
397	Y	98.2	Very high	97.5	Very high	81 Å²	81	18.4 Å²	18.4	32%	0.318	8%	0.084	S	C	.	.	H	α-helix	trans	-59.2	-42.9	172.6	176.6	-93.4	0	0	0	112.8	T354 F356 A393 L394 I395 K400 Y474 M478	T354-Y397 HydrophobicContact CG2-CD2 4.45Å; T354-Y397 HydrophobicContact CG2-CE2 4.16Å; F356-Y397 HydrophobicContact CB-CD2 3.58Å; F356-Y397 HydrophobicContact CB-CE2 3.84Å; F356-Y397 HydrophobicContact CD1-CD2 4.15Å; F356-Y397 AromaticContact CD2-CD2 4Å; F356-Y397 HydrophobicContact CD2-CD2 4Å; F356-Y397 HydrophobicContact CD2-CE2 4.42Å; F356-Y397 AromaticContact CG-CD2 3.65Å; F356-Y397 HydrophobicContact CG-CD2 3.65Å; F356-Y397 HydrophobicContact CG-CE2 4.26Å; A393-Y397 VanDerWaalsContact O-CB 3.29Å; A393-Y397 WeakPolarHBondContact O-CB 3.5Å; A393-Y397 PolarHBondContact O-N 3.5Å; L394-Y397 HydrophobicContact CD1-CD1 4.43Å; L394-Y397 PolarHBondContact O-N 2.74Å; I395-Y397 VanDerWaalsContact C-N 3.3Å; I395-Y397 PolarHBondContact O-N 2.9Å; Y397-K400 WeakPolarHBondContact O-CG 3.47Å; Y397-Y474 AromaticContact CD1-CD1 3.73Å; Y397-Y474 HydrophobicContact CD1-CD1 3.73Å; Y397-Y474 HydrophobicContact CD1-CE1 4.04Å; Y397-Y474 HydrophobicContact CD2-CD1 4.05Å; Y397-Y474 AromaticContact CD2-CE1 3.78Å; Y397-Y474 HydrophobicContact CD2-CE1 3.78Å; Y397-Y474 AromaticContact CE1-CD1 3.96Å; Y397-Y474 HydrophobicContact CE1-CD1 3.96Å; Y397-Y474 HydrophobicContact CE2-CD1 4.26Å; Y397-Y474 HydrophobicContact CE2-CE1 4.35Å; Y397-Y474 AromaticContact CG-CD1 3.78Å; Y397-Y474 HydrophobicContact CG-CD1 3.78Å; Y397-Y474 AromaticContact CG-CE1 3.61Å; Y397-Y474 HydrophobicContact CG-CE1 3.61Å; Y397-M478 HydrophobicContact CE1-CE 4.47Å
398	V	98.3	Very high	97.9	Very high	10 Å²	10	18.4 Å²	18.4	6%	0.061	8%	0.084	C	C	.	.	H	α-helix	trans	-78.4	-53.5	-178.5	173.9	0	0	0	0	111.8	K284 P285 W288 L394 I395 L396 M478	K284-V398 HydrophobicContact CB-CG1 3.63Å; P285-V398 HydrophobicContact CG-CG1 4.26Å; P285-V398 WeakPolarHBondContact CG-O 3.42Å; W288-V398 HydrophobicContact CD2-CB 4.47Å; W288-V398 HydrophobicContact CD2-CG1 3.93Å; W288-V398 HydrophobicContact CE3-CB 3.96Å; W288-V398 HydrophobicContact CE3-CG1 3.89Å; W288-V398 HydrophobicContact CE3-CG2 4.24Å; W288-V398 HydrophobicContact CG-CG1 4.49Å; W288-V398 HydrophobicContact CH2-CB 4.34Å; W288-V398 HydrophobicContact CH2-CG2 3.7Å; W288-V398 HydrophobicContact CZ2-CG2 4.14Å; W288-V398 HydrophobicContact CZ3-CB 3.88Å; W288-V398 HydrophobicContact CZ3-CG1 4.25Å; W288-V398 HydrophobicContact CZ3-CG2 3.74Å; L394-V398 WeakPolarHBondContact O-CG2 3.37Å; L394-V398 PolarHBondContact O-N 3.05Å; L394-V398 VanDerWaalsContact O-N 3.15Å; I395-V398 PolarHBondContact O-N 2.92Å; I395-V398 VanDerWaalsContact O-N 3.16Å; L396-V398 VanDerWaalsContact C-N 3.34Å; L396-V398 PolarHBondContact O-N 3.38Å; V398-M478 HydrophobicContact CG2-CG 4.07Å; V398-M478 HydrophobicContact CG2-SD 3.37Å; V398-M478 WeakPolarHBondContact CG2-SD 3.35Å
399	I	98.3	Very high	98.1	Very high	14 Å²	14	18.4 Å²	18.4	7%	0.072	8%	0.084	C	C	.	.	H	α-helix	trans	-73	-35.3	-173.9	-58.6	-56.7	0	0	0	111.2	W288 K289 I395 D401 D404 S405	W288-I399 HydrophobicContact CB-CD1 4.12Å; K289-I399 HydrophobicContact CG-CD1 4.47Å; I395-I399 HydrophobicContact CG2-CG1 3.94Å; I395-I399 WeakPolarHBondContact O-CB 3.23Å; I395-I399 WeakPolarHBondContact O-CG1 3.45Å; I395-I399 PolarHBondContact O-N 2.94Å; I399-D401 HydrophobicContact CG2-CB 4.37Å; I399-D401 PolarHBondContact O-N 3.42Å; I399-D404 HydrophobicContact CG2-CB 3.49Å; I399-D404 VanDerWaalsContact CG2-CB 3.49Å; I399-S405 WeakPolarHBondContact CB-OG 3.4Å
400	K	97.3	Very high	98.2	Very high	128 Å²	128	18.5 Å²	18.5	56%	0.557	9%	0.085	S	C	*	.			trans	62.3	-34.7	-178.4	-57.5	177.8	-178	176.9	0	115.8	F356 R367 L396 Y397	F356-K400 HydrophobicContact CE2-CG 4.37Å; R367-K400 PolarHBondContact NH1-O 3.1Å; L396-K400 WeakPolarHBondContact O-CA 3.35Å; L396-K400 PolarHBondContact O-N 3.35Å; Y397-K400 WeakPolarHBondContact O-CG 3.47Å
401	D	97.9	Very high	98.2	Very high	61 Å²	61	18.8 Å²	18.8	33%	0.326	9%	0.089	S	C	.	.			trans	-74	135.3	174.1	179.4	-100.3	0	0	0	110.7	I399 E403 D404 S405	I399-D401 HydrophobicContact CG2-CB 4.37Å; I399-D401 PolarHBondContact O-N 3.42Å; D401-E403 PolarHBondContact OD1-N 3.06Å; D401-D404 HydrophobicContact CB-CB 4.13Å; D401-D404 WeakPolarHBondContact OD1-CB 3.3Å; D401-D404 PolarHBondContact OD1-N 3.09Å; D401-S405 WeakPolarHBondContact O-CB 3.29Å; D401-S405 PolarHBondContact O-N 3.24Å; D401-S405 PolarHBondContact O-OG 2.89Å
402	E	98.3	Very high	98.2	Very high	31 Å²	31	18.9 Å²	18.9	15%	0.145	9%	0.089	C	C	.	.	H	α-helix	trans	-69.9	-43.5	-171	-166.2	179.9	170.8	0	0	112.5	Y315 K319 R367 D370 I371 S405 F406	Y315-E402 VanDerWaalsContact OH-CD 3.22Å; Y315-E402 WeakPolarHBondContact OH-CG 3.49Å; Y315-E402 PolarHBondContact OH-OE1 3.06Å; K319-E402 IonicContact NZ-OE1 3.95Å; K319-E402 PolarHBondContact NZ-OE1 2.93Å; K319-E402 IonicContact NZ-OE2 2.6Å; K319-E402 PolarHBondContact NZ-OE2 3.46Å; R367-E402 HydrophobicContact CB-CG 4.27Å; R367-E402 HydrophobicContact CG-CG 4.24Å; D370-E402 WeakPolarHBondContact CB-OE1 3.27Å; I371-E402 HydrophobicContact CD1-CG 3.8Å; I371-E402 WeakPolarHBondContact CD1-O 3.17Å; I371-E402 HydrophobicContact CG1-CG 3.63Å; E402-S405 PolarHBondContact O-N 3.12Å; E402-F406 PolarHBondContact O-N 2.77Å
403	E	98.3	Very high	98	Very high	40 Å²	40	18.9 Å²	18.9	19%	0.187	9%	0.089	C	C	.	.	H	α-helix	trans	-72.9	-46.2	-175.3	-61.1	164.6	-146.8	0	0	110.9	S312 Y315 H316 D401 S405 F406 W407	S312-E403 WeakPolarHBondContact CA-OE2 3.2Å; S312-E403 WeakPolarHBondContact CB-OE2 3.02Å; S312-E403 PolarHBondContact OG-OE2 2.84Å; Y315-E403 HydrophobicContact CD1-CB 4.34Å; Y315-E403 HydrophobicContact CD1-CG 3.58Å; Y315-E403 HydrophobicContact CE1-CG 3.91Å; Y315-E403 HydrophobicContact CG-CG 4.24Å; H316-E403 IonicContact CE1-OE1 3.88Å; H316-E403 PolarHBondContact CE1-OE1 3.16Å; H316-E403 IonicContact CE1-OE2 2.85Å; H316-E403 IonicContact ND1-OE1 3.03Å; H316-E403 IonicContact NE2-OE1 3.02Å; D401-E403 PolarHBondContact OD1-N 3.06Å; E403-S405 VanDerWaalsContact C-N 3.26Å; E403-S405 PolarHBondContact O-N 3.45Å; E403-F406 WeakPolarHBondContact O-CB 3.42Å; E403-F406 PolarHBondContact O-N 2.89Å; E403-W407 VanDerWaalsContact O-CD1 3.22Å; E403-W407 PolarHBondContact O-N 2.97Å; E403-W407 VanDerWaalsContact O-N 3.13Å
404	D	98.6	Very high	97.7	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-63	-36.8	175.4	-71.6	-23.2	0	0	0	110.5	K289 Y294 K308 I399 D401 W407 C408	K289-D404 WeakPolarHBondContact CE-OD2 3.45Å; K289-D404 IonicContact NZ-OD1 2.85Å; K289-D404 IonicContact NZ-OD2 2.65Å; K289-D404 PolarHBondContact NZ-OD2 3.29Å; Y294-D404 HydrophobicContact CE1-CB 4.04Å; Y294-D404 VanDerWaalsContact CE1-OD1 3.25Å; Y294-D404 WeakPolarHBondContact CE1-OD1 3.48Å; Y294-D404 PolarHBondContact OH-OD1 2.94Å; K308-D404 VanDerWaalsContact CE-OD1 3.3Å; K308-D404 WeakPolarHBondContact CE-OD1 3.43Å; K308-D404 IonicContact NZ-OD1 3.48Å; K308-D404 PolarHBondContact NZ-OD1 2.83Å; K308-D404 IonicContact NZ-OD2 3.14Å; K308-D404 PolarHBondContact NZ-OD2 3.19Å; I399-D404 HydrophobicContact CG2-CB 3.49Å; I399-D404 VanDerWaalsContact CG2-CB 3.49Å; D401-D404 HydrophobicContact CB-CB 4.13Å; D401-D404 WeakPolarHBondContact OD1-CB 3.3Å; D401-D404 PolarHBondContact OD1-N 3.09Å; D404-W407 PolarHBondContact O-N 3.09Å; D404-C408 WeakPolarHBondContact O-CB 3.11Å; D404-C408 PolarHBondContact O-N 3.45Å; D404-C408 PolarHBondContact O-SG 3.46Å
405	S	98.8	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.8	-41.9	175.5	-63.2	0	0	0	0	111.8	L396 I399 D401 E402 E403 C408 F409	L396-S405 WeakPolarHBondContact CD1-OG 3.46Å; I399-S405 WeakPolarHBondContact CB-OG 3.4Å; D401-S405 WeakPolarHBondContact O-CB 3.29Å; D401-S405 PolarHBondContact O-N 3.24Å; D401-S405 PolarHBondContact O-OG 2.89Å; E402-S405 PolarHBondContact O-N 3.12Å; E403-S405 VanDerWaalsContact C-N 3.26Å; E403-S405 PolarHBondContact O-N 3.45Å; S405-C408 PolarHBondContact O-N 3Å; S405-F409 VanDerWaalsContact O-CB 3.26Å; S405-F409 WeakPolarHBondContact O-CB 3.4Å; S405-F409 PolarHBondContact O-N 3.32Å
406	F	98.8	Very high	97.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.2	-48.4	175.7	171.2	-89.4	0	0	0	111.5	Y315 L318 I371 T374 Y378 E402 E403 F409 V410	Y315-F406 HydrophobicContact CD2-CB 3.68Å; Y315-F406 AromaticContact CD2-CD1 3.57Å; Y315-F406 HydrophobicContact CD2-CD1 3.57Å; Y315-F406 AromaticContact CD2-CD2 3.75Å; Y315-F406 HydrophobicContact CD2-CD2 3.75Å; Y315-F406 HydrophobicContact CD2-CE1 4.13Å; Y315-F406 HydrophobicContact CD2-CE2 4.28Å; Y315-F406 AromaticContact CD2-CG 3.37Å; Y315-F406 HydrophobicContact CD2-CG 3.37Å; Y315-F406 HydrophobicContact CD2-CZ 4.47Å; Y315-F406 HydrophobicContact CE2-CB 3.62Å; Y315-F406 HydrophobicContact CE2-CD1 4.27Å; Y315-F406 AromaticContact CE2-CD2 3.68Å; Y315-F406 HydrophobicContact CE2-CD2 3.68Å; Y315-F406 HydrophobicContact CE2-CE2 4.44Å; Y315-F406 AromaticContact CE2-CG 3.59Å; Y315-F406 HydrophobicContact CE2-CG 3.59Å; Y315-F406 HydrophobicContact CG-CD1 4.49Å; L318-F406 HydrophobicContact CD1-CZ 4.33Å; I371-F406 HydrophobicContact CG1-CB 4.42Å; I371-F406 HydrophobicContact CG2-CB 4.04Å; I371-F406 HydrophobicContact CG2-CD2 4.01Å; T374-F406 HydrophobicContact CG2-CD2 4.19Å; T374-F406 HydrophobicContact CG2-CE2 3.76Å; T374-F406 HydrophobicContact CG2-CZ 4.27Å; Y378-F406 HydrophobicContact CD2-CZ 4.33Å; Y378-F406 AromaticContact CG-CZ 3.99Å; Y378-F406 HydrophobicContact CG-CZ 3.99Å; E402-F406 PolarHBondContact O-N 2.77Å; E403-F406 WeakPolarHBondContact O-CB 3.42Å; E403-F406 PolarHBondContact O-N 2.89Å; F406-F409 WeakPolarHBondContact O-CB 3.41Å; F406-F409 PolarHBondContact O-N 3.31Å; F406-F409 VanDerWaalsContact O-N 3.15Å; F406-V410 HydrophobicContact CD1-CG2 4.2Å; F406-V410 HydrophobicContact CE1-CG2 3.72Å; F406-V410 HydrophobicContact CE2-CG2 4.34Å; F406-V410 HydrophobicContact CZ-CG2 3.79Å; F406-V410 WeakPolarHBondContact O-CG2 3.31Å; F406-V410 PolarHBondContact O-N 3.4Å
407	W	98.6	Very high	96.6	Very high	11 Å²	11	25.7 Å²	25.7	4%	0.042	12%	0.121	C	C	.	.	H	α-helix	trans	-72.5	-32.6	-178	-71.4	110.5	0	0	0	113.5	Y294 K311 E314 Y378 E403 D404 F409 V410 G411	Y294-W407 HydrophobicContact CD1-CB 4.2Å; Y294-W407 HydrophobicContact CD2-CB 3.61Å; Y294-W407 HydrophobicContact CD2-CG 4.3Å; Y294-W407 HydrophobicContact CE1-CB 4.3Å; Y294-W407 HydrophobicContact CE2-CB 3.74Å; Y294-W407 HydrophobicContact CE2-CG 4.06Å; Y294-W407 HydrophobicContact CG-CB 3.86Å; K311-W407 VanDerWaalsContact C-NE1 3.32Å; K311-W407 HydrophobicContact CB-CD2 4.19Å; K311-W407 HydrophobicContact CB-CG 4.16Å; K311-W407 HydrophobicContact CB-CZ2 4.33Å; K311-W407 HydrophobicContact CD-CD2 3.55Å; K311-W407 HydrophobicContact CD-CE3 3.74Å; K311-W407 HydrophobicContact CD-CG 4.26Å; K311-W407 HydrophobicContact CD-CH2 3.66Å; K311-W407 HydrophobicContact CD-CZ2 3.45Å; K311-W407 VanDerWaalsContact CD-CZ2 3.45Å; K311-W407 HydrophobicContact CD-CZ3 3.79Å; K311-W407 HydrophobicContact CG-CD2 4.34Å; K311-W407 PolarHBondContact O-NE1 3.28Å; E314-W407 HydrophobicContact CB-CZ2 3.98Å; E314-W407 HydrophobicContact CG-CH2 4.1Å; E314-W407 HydrophobicContact CG-CZ2 3.89Å; E314-W407 VanDerWaalsContact OE2-CH2 3.28Å; E314-W407 WeakPolarHBondContact OE2-CH2 3.18Å; E314-W407 WeakPolarHBondContact OE2-CZ2 3.33Å; Y378-W407 HydrophobicContact CD2-CH2 4.43Å; Y378-W407 AromaticContact CE2-CH2 3.91Å; Y378-W407 HydrophobicContact CE2-CH2 3.91Å; Y378-W407 HydrophobicContact CE2-CZ3 4.03Å; E403-W407 VanDerWaalsContact O-CD1 3.22Å; E403-W407 PolarHBondContact O-N 2.97Å; E403-W407 VanDerWaalsContact O-N 3.13Å; D404-W407 PolarHBondContact O-N 3.09Å; W407-F409 VanDerWaalsContact C-N 3.31Å; W407-V410 HydrophobicContact CE3-CB 4.18Å; W407-V410 HydrophobicContact CE3-CG1 4.31Å; W407-V410 HydrophobicContact CE3-CG2 4.13Å; W407-V410 HydrophobicContact CZ3-CG1 4.33Å; W407-V410 HydrophobicContact CZ3-CG2 4.32Å; W407-G411 PolarHBondContact O-N 3.43Å
408	C	98.7	Very high	96	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.5	-40.1	167.4	-70.5	0	0	0	0	111.5	L292 I395 D404 S405 G411 L412	L292-C408 HydrophobicContact CD1-CB 3.65Å; I395-C408 HydrophobicContact CG2-CB 3.71Å; D404-C408 WeakPolarHBondContact O-CB 3.11Å; D404-C408 PolarHBondContact O-N 3.45Å; D404-C408 PolarHBondContact O-SG 3.46Å; S405-C408 PolarHBondContact O-N 3Å; C408-G411 PolarHBondContact O-N 2.91Å; C408-L412 PolarHBondContact O-N 3.4Å
409	F	98.6	Very high	95.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.9	-41.3	177.6	-179.1	-109.6	0	0	0	112.5	L372 Y375 M388 L391 L392 I395 S405 F406 W407 G411 L412 M413	L372-F409 HydrophobicContact CD2-CE1 4.24Å; L372-F409 HydrophobicContact CD2-CZ 4.15Å; Y375-F409 HydrophobicContact CD1-CE1 4.06Å; Y375-F409 AromaticContact CD2-CD1 3.88Å; Y375-F409 HydrophobicContact CD2-CD1 3.88Å; Y375-F409 AromaticContact CD2-CE1 3.87Å; Y375-F409 HydrophobicContact CD2-CE1 3.87Å; Y375-F409 HydrophobicContact CE1-CE1 4.47Å; Y375-F409 HydrophobicContact CE2-CD1 4.42Å; Y375-F409 HydrophobicContact CE2-CE1 4.31Å; Y375-F409 HydrophobicContact CG-CD1 4.12Å; Y375-F409 AromaticContact CG-CE1 3.75Å; Y375-F409 HydrophobicContact CG-CE1 3.75Å; M388-F409 HydrophobicContact CB-CZ 4.09Å; M388-F409 HydrophobicContact CE-CE1 3.82Å; M388-F409 HydrophobicContact CE-CZ 3.61Å; M388-F409 HydrophobicContact CG-CZ 4.45Å; L391-F409 HydrophobicContact CB-CE2 4.19Å; L392-F409 HydrophobicContact CB-CD2 3.77Å; L392-F409 HydrophobicContact CB-CE2 3.8Å; L392-F409 HydrophobicContact CB-CG 4.37Å; L392-F409 HydrophobicContact CB-CZ 4.41Å; L392-F409 HydrophobicContact CD1-CB 3.69Å; L392-F409 HydrophobicContact CD1-CD1 4.45Å; L392-F409 HydrophobicContact CD1-CD2 3.9Å; L392-F409 HydrophobicContact CD1-CG 3.75Å; L392-F409 HydrophobicContact CG-CD2 4.38Å; I395-F409 HydrophobicContact CD1-CB 4.35Å; I395-F409 HydrophobicContact CD1-CD2 4.32Å; S405-F409 VanDerWaalsContact O-CB 3.26Å; S405-F409 WeakPolarHBondContact O-CB 3.4Å; S405-F409 PolarHBondContact O-N 3.32Å; F406-F409 WeakPolarHBondContact O-CB 3.41Å; F406-F409 PolarHBondContact O-N 3.31Å; F406-F409 VanDerWaalsContact O-N 3.15Å; W407-F409 VanDerWaalsContact C-N 3.31Å; F409-G411 VanDerWaalsContact C-N 3.26Å; F409-G411 PolarHBondContact O-N 3.14Å; F409-L412 WeakPolarHBondContact O-CB 3.42Å; F409-L412 PolarHBondContact O-N 3.37Å; F409-L412 VanDerWaalsContact O-N 3.12Å; F409-M413 HydrophobicContact CD1-CG 4.13Å; F409-M413 HydrophobicContact CD2-CG 4.31Å; F409-M413 HydrophobicContact CE1-CG 3.66Å; F409-M413 HydrophobicContact CE1-SD 4.35Å; F409-M413 HydrophobicContact CE2-CG 3.87Å; F409-M413 HydrophobicContact CE2-SD 3.8Å; F409-M413 HydrophobicContact CG-CG 4.43Å; F409-M413 HydrophobicContact CZ-CG 3.51Å; F409-M413 HydrophobicContact CZ-SD 3.61Å; F409-M413 WeakPolarHBondContact O-CG 3.24Å; F409-M413 PolarHBondContact O-N 3Å
410	V	97.7	Very high	94.6	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.03	11%	0.11	C	C	.	.	H	α-helix	trans	-55.9	-45	169.8	170.4	0	0	0	0	110.4	Y375 Y378 F406 W407 L412 M413 N414	Y375-V410 HydrophobicContact CD2-CG2 3.86Å; Y375-V410 HydrophobicContact CE2-CG2 4Å; Y378-V410 HydrophobicContact CD1-CG2 4.05Å; Y378-V410 HydrophobicContact CE1-CG1 3.72Å; Y378-V410 HydrophobicContact CE1-CG2 3.97Å; F406-V410 HydrophobicContact CD1-CG2 4.2Å; F406-V410 HydrophobicContact CE1-CG2 3.72Å; F406-V410 HydrophobicContact CE2-CG2 4.34Å; F406-V410 HydrophobicContact CZ-CG2 3.79Å; F406-V410 WeakPolarHBondContact O-CG2 3.31Å; F406-V410 PolarHBondContact O-N 3.4Å; W407-V410 HydrophobicContact CE3-CB 4.18Å; W407-V410 HydrophobicContact CE3-CG1 4.31Å; W407-V410 HydrophobicContact CE3-CG2 4.13Å; W407-V410 HydrophobicContact CZ3-CG1 4.33Å; W407-V410 HydrophobicContact CZ3-CG2 4.32Å; V410-L412 VanDerWaalsContact C-N 3.34Å; V410-L412 PolarHBondContact O-N 3.39Å; V410-M413 PolarHBondContact O-N 3.38Å; V410-N414 VanDerWaalsContact O-CG 3.27Å; V410-N414 PolarHBondContact O-N 3.02Å; V410-N414 PolarHBondContact O-ND2 3.27Å
411	G	96.7	Very high	93.5	Very high	10 Å²	10	18.7 Å²	18.7	10%	0.103	10%	0.098	C	C	.	.	H	α-helix	trans	-57.7	-42.1	174.3	0	0	0	0	0	114	L292 W407 C408 F409	L292-G411 WeakPolarHBondContact O-CA 3.49Å; W407-G411 PolarHBondContact O-N 3.43Å; C408-G411 PolarHBondContact O-N 2.91Å; F409-G411 VanDerWaalsContact C-N 3.26Å; F409-G411 PolarHBondContact O-N 3.14Å
412	L	96.7	Very high	91.7	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-66.8	-44	174	-178.9	61.8	0	0	0	111.8	L292 L391 I395 C408 F409 V410 N414 R415 L416 W485	L292-L412 HydrophobicContact CD2-CB 3.97Å; L292-L412 HydrophobicContact CD2-CD1 4.25Å; L391-L412 HydrophobicContact CB-CD2 3.98Å; L391-L412 HydrophobicContact CD2-CD2 4.35Å; I395-L412 HydrophobicContact CD1-CB 4.03Å; I395-L412 HydrophobicContact CD1-CD2 3.69Å; I395-L412 HydrophobicContact CD1-CG 4.49Å; C408-L412 PolarHBondContact O-N 3.4Å; F409-L412 WeakPolarHBondContact O-CB 3.42Å; F409-L412 PolarHBondContact O-N 3.37Å; F409-L412 VanDerWaalsContact O-N 3.12Å; V410-L412 VanDerWaalsContact C-N 3.34Å; V410-L412 PolarHBondContact O-N 3.39Å; L412-N414 VanDerWaalsContact C-N 3.34Å; L412-N414 PolarHBondContact O-N 3.03Å; L412-R415 CarbonylContact O-C 3.57Å; L412-R415 WeakPolarHBondContact O-CA 3.16Å; L412-R415 VanDerWaalsContact O-CB 3.29Å; L412-R415 WeakPolarHBondContact O-CB 3.3Å; L412-R415 PolarHBondContact O-N 3.29Å; L412-L416 HydrophobicContact CD1-CD1 3.64Å; L412-L416 HydrophobicContact CD1-CG 4.16Å; L412-L416 HydrophobicContact CD2-CD1 4.31Å; L412-L416 HydrophobicContact CG-CD1 3.85Å; L412-L416 HydrophobicContact CG-CG 4.49Å; L412-L416 PolarHBondContact O-N 3.13Å; L412-W485 HydrophobicContact CD1-CZ2 4.11Å
413	M	94.4	Very high	90.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.2	-35	-178.7	-68.9	-52.2	-55.5	0	0	112	Y375 F382 M388 L391 F409 V410 R415 L416 E417 F420	Y375-M413 HydrophobicContact CE1-CG 4.33Å; Y375-M413 HydrophobicContact CE2-CB 3.94Å; Y375-M413 HydrophobicContact CE2-CG 3.96Å; Y375-M413 WeakPolarHBondContact OH-CB 3.44Å; F382-M413 HydrophobicContact CE1-CE 3.6Å; F382-M413 HydrophobicContact CZ-CE 3.68Å; M388-M413 HydrophobicContact CE-CE 3.93Å; M388-M413 HydrophobicContact CE-CG 4.36Å; M388-M413 HydrophobicContact CE-SD 4.1Å; M388-M413 HydrophobicContact CG-CE 4.07Å; M388-M413 HydrophobicContact CG-SD 4.18Å; M388-M413 HydrophobicContact SD-CE 4.01Å; L391-M413 HydrophobicContact CD1-SD 4.34Å; F409-M413 HydrophobicContact CD1-CG 4.13Å; F409-M413 HydrophobicContact CD2-CG 4.31Å; F409-M413 HydrophobicContact CE1-CG 3.66Å; F409-M413 HydrophobicContact CE1-SD 4.35Å; F409-M413 HydrophobicContact CE2-CG 3.87Å; F409-M413 HydrophobicContact CE2-SD 3.8Å; F409-M413 HydrophobicContact CG-CG 4.43Å; F409-M413 HydrophobicContact CZ-CG 3.51Å; F409-M413 HydrophobicContact CZ-SD 3.61Å; F409-M413 WeakPolarHBondContact O-CG 3.24Å; F409-M413 PolarHBondContact O-N 3Å; V410-M413 PolarHBondContact O-N 3.38Å; M413-R415 PolarHBondContact O-N 3.14Å; M413-L416 PolarHBondContact O-N 2.96Å; M413-E417 VanDerWaalsContact O-CB 3.23Å; M413-E417 WeakPolarHBondContact O-CB 3.22Å; M413-E417 PolarHBondContact O-N 3.32Å; M413-F420 HydrophobicContact CE-CD2 3.94Å; M413-F420 HydrophobicContact CE-CE2 3.98Å
414	N	91.9	Very high	89.1	Confident	56 Å²	56	17.6 Å²	17.6	30%	0.299	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-22.4	169.2	-71.6	-19.4	0	0	0	113	V410 L412	V410-N414 VanDerWaalsContact O-CG 3.27Å; V410-N414 PolarHBondContact O-N 3.02Å; V410-N414 PolarHBondContact O-ND2 3.27Å; L412-N414 VanDerWaalsContact C-N 3.34Å; L412-N414 PolarHBondContact O-N 3.03Å
415	R	91.8	Very high	87.9	Confident	29 Å²	29	21 Å²	21	11%	0.109	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-8.1	176.6	-57.6	173.2	61.7	115.9	10.3	114.5	L412 M413 F484 W485 D487 A567 T568	L412-R415 CarbonylContact O-C 3.57Å; L412-R415 WeakPolarHBondContact O-CA 3.16Å; L412-R415 VanDerWaalsContact O-CB 3.29Å; L412-R415 WeakPolarHBondContact O-CB 3.3Å; L412-R415 PolarHBondContact O-N 3.29Å; M413-R415 PolarHBondContact O-N 3.14Å; R415-F484 PolarHBondContact NH2-O 2.92Å; R415-W485 PolarHBondContact NH1-O 2.94Å; R415-D487 IonicContact CZ-OD1 3.95Å; R415-D487 IonicContact CZ-OD2 2.93Å; R415-D487 IonicContact NH1-OD1 3.01Å; R415-D487 IonicContact NH1-OD2 2.78Å; R415-D487 PolarHBondContact NH1-OD2 3.46Å; R415-D487 IonicContact NH2-OD1 2.79Å; R415-D487 PolarHBondContact NH2-OD1 3.27Å; R415-D487 IonicContact NH2-OD2 2.7Å; R415-D487 PolarHBondContact NH2-OD2 2.82Å; R415-A567 CarbonylContact C-O 3.56Å; R415-A567 CarbonylContact O-C 3.57Å; R415-T568 HydrophobicContact CB-CG2 4.22Å; R415-T568 VanDerWaalsContact O-CA 3.3Å; R415-T568 WeakPolarHBondContact O-CA 3.46Å; R415-T568 PolarHBondContact O-N 3.25Å
416	L	91.9	Very high	87.1	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.5	-9.3	-173.3	-61.9	-178.5	0	0	0	114.1	L391 L412 M413 S418 N419 F420 H467 A567	L391-L416 HydrophobicContact CD1-CD1 3.73Å; L391-L416 HydrophobicContact CD2-CD1 4.17Å; L412-L416 HydrophobicContact CD1-CD1 3.64Å; L412-L416 HydrophobicContact CD1-CG 4.16Å; L412-L416 HydrophobicContact CD2-CD1 4.31Å; L412-L416 HydrophobicContact CG-CD1 3.85Å; L412-L416 HydrophobicContact CG-CG 4.49Å; L412-L416 PolarHBondContact O-N 3.13Å; M413-L416 PolarHBondContact O-N 2.96Å; L416-S418 PolarHBondContact O-N 3.41Å; L416-S418 VanDerWaalsContact O-N 3.15Å; L416-N419 VanDerWaalsContact O-CB 3.22Å; L416-N419 WeakPolarHBondContact O-CB 3.47Å; L416-N419 PolarHBondContact O-N 3.38Å; L416-F420 HydrophobicContact CB-CE2 4.3Å; L416-F420 WeakPolarHBondContact O-CD2 3.5Å; L416-H467 WeakPolarHBondContact CD2-CE1 3.41Å; L416-H467 WeakPolarHBondContact CD2-NE2 3.06Å; L416-A567 HydrophobicContact CD2-CB 4.18Å
417	E	88.3	Confident	86.3	Confident	57 Å²	57	21.5 Å²	21.5	27%	0.266	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-53.6	-39.7	-175.6	-168	-176.1	129.8	0	0	112.2	N379 F382 M413 N419 F420	N379-E417 PolarHBondContact ND2-OE2 3.19Å; F382-E417 HydrophobicContact CD1-CG 4.17Å; F382-E417 HydrophobicContact CD2-CG 3.2Å; F382-E417 HydrophobicContact CE1-CG 4.11Å; F382-E417 HydrophobicContact CE2-CB 4.2Å; F382-E417 HydrophobicContact CE2-CG 3.15Å; F382-E417 WeakPolarHBondContact CE2-O 3.32Å; F382-E417 HydrophobicContact CG-CG 3.73Å; F382-E417 HydrophobicContact CZ-CB 4.37Å; F382-E417 HydrophobicContact CZ-CG 3.61Å; M413-E417 VanDerWaalsContact O-CB 3.23Å; M413-E417 WeakPolarHBondContact O-CB 3.22Å; M413-E417 PolarHBondContact O-N 3.32Å; E417-N419 PolarHBondContact O-N 2.66Å; E417-N419 VanDerWaalsContact O-N 3.15Å; E417-F420 PolarHBondContact O-N 2.76Å
418	S	85.8	Confident	85.4	Confident	31 Å²	31	27.7 Å²	27.7	22%	0.217	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-57.7	-29.7	177.8	57	0	0	0	0	112.8	L416 F420 N421 A426 L566 A567	L416-S418 PolarHBondContact O-N 3.41Å; L416-S418 VanDerWaalsContact O-N 3.15Å; S418-F420 PolarHBondContact O-N 2.99Å; S418-N421 PolarHBondContact O-N 3.16Å; S418-N421 PolarHBondContact O-ND2 2.91Å; S418-A426 VanDerWaalsContact O-CB 3.22Å; S418-A426 WeakPolarHBondContact O-CB 3.34Å; S418-L566 WeakPolarHBondContact CB-O 3.35Å; S418-L566 PolarHBondContact OG-O 3.49Å; S418-A567 PolarHBondContact OG-O 3.29Å
419	N	85.3	Confident	84.8	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-68.1	-21.7	178.3	-66.3	-1.5	0	0	0	112.8	L416 E417 L424 V427 Q430 L464 L465	L416-N419 VanDerWaalsContact O-CB 3.22Å; L416-N419 WeakPolarHBondContact O-CB 3.47Å; L416-N419 PolarHBondContact O-N 3.38Å; E417-N419 PolarHBondContact O-N 2.66Å; E417-N419 VanDerWaalsContact O-N 3.15Å; N419-L424 WeakPolarHBondContact O-CD2 3.44Å; N419-V427 HydrophobicContact CB-CG2 3.53Å; N419-V427 VanDerWaalsContact O-CG2 3.24Å; N419-V427 WeakPolarHBondContact O-CG2 3.42Å; N419-Q430 PolarHBondContact OD1-NE2 3.33Å; N419-L464 PolarHBondContact ND2-O 2.95Å; N419-L465 HydrophobicContact CB-CD1 4.18Å
420	F	82.6	Confident	84.5	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-105.6	15.9	-178.3	-59.8	-88.7	0	0	0	112.4	F382 F385 M388 L391 M413 L416 E417 S418 L465 L597 L601	F382-F420 HydrophobicContact CE2-CB 3.66Å; F382-F420 HydrophobicContact CZ-CB 3.53Å; F382-F420 HydrophobicContact CZ-CD2 4.13Å; F382-F420 HydrophobicContact CZ-CG 4.05Å; F385-F420 HydrophobicContact CB-CB 4.12Å; F385-F420 HydrophobicContact CB-CD1 3.55Å; F385-F420 HydrophobicContact CB-CE1 4.32Å; F385-F420 HydrophobicContact CB-CG 4.14Å; F385-F420 HydrophobicContact CD2-CB 3.85Å; F385-F420 HydrophobicContact CE2-CB 4.46Å; F385-F420 HydrophobicContact CG-CB 3.99Å; F385-F420 HydrophobicContact CG-CD1 4.33Å; M388-F420 HydrophobicContact CG-CE1 4.2Å; M388-F420 HydrophobicContact CG-CZ 4.16Å; L391-F420 HydrophobicContact CD1-CE2 4.16Å; L391-F420 HydrophobicContact CD1-CZ 3.95Å; M413-F420 HydrophobicContact CE-CD2 3.94Å; M413-F420 HydrophobicContact CE-CE2 3.98Å; L416-F420 HydrophobicContact CB-CE2 4.3Å; L416-F420 WeakPolarHBondContact O-CD2 3.5Å; E417-F420 PolarHBondContact O-N 2.76Å; S418-F420 PolarHBondContact O-N 2.99Å; F420-L465 HydrophobicContact CD1-CD1 3.84Å; F420-L465 HydrophobicContact CE1-CD1 3.64Å; F420-L465 HydrophobicContact CE1-CD2 4.27Å; F420-L465 HydrophobicContact CE1-CG 3.92Å; F420-L465 HydrophobicContact CE2-CD1 4.46Å; F420-L465 HydrophobicContact CG-CD1 4.34Å; F420-L465 HydrophobicContact CZ-CD1 3.97Å; F420-L465 HydrophobicContact CZ-CG 4.16Å; F420-L597 VanDerWaalsContact O-CD2 3.24Å; F420-L597 WeakPolarHBondContact O-CD2 3.46Å; F420-L601 HydrophobicContact CD1-CD1 4.27Å
421	N	74.1	Confident	84.1	Confident	56 Å²	56	32.3 Å²	32.3	30%	0.299	17%	0.166	S	C	.	.	S	Bend	trans	-67.4	151.9	176.8	77.2	24.5	0	0	0	111.4	S418 E423 L424 N425	S418-N421 PolarHBondContact O-N 3.16Å; S418-N421 PolarHBondContact O-ND2 2.91Å; N421-E423 PolarHBondContact O-N 3.19Å; N421-E423 PolarHBondContact OD1-N 3.27Å; N421-L424 WeakPolarHBondContact O-CD2 3.38Å; N421-L424 PolarHBondContact O-N 2.99Å; N421-L424 VanDerWaalsContact OD1-CA 3.29Å; N421-L424 WeakPolarHBondContact OD1-CA 3.34Å; N421-L424 PolarHBondContact OD1-N 2.89Å; N421-N425 PolarHBondContact OD1-N 3.41Å; N421-N425 VanDerWaalsContact OD1-N 3.1Å
422	G	60	Low	83.7	Confident	28 Å²	28	35.2 Å²	35.2	29%	0.289	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-23.6	-172.7	0	0	0	0	0	116.4	Y592	G422-Y592 VanDerWaalsContact O-CE1 3.25Å; G422-Y592 WeakPolarHBondContact O-CE1 3.18Å
423	E	67.3	Low	83.5	Confident	73 Å²	73	36.1 Å²	36.1	34%	0.341	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-1.9	178.1	-63.8	-174.3	163.6	0	0	113	N421 N425 R428 Y590	N421-E423 PolarHBondContact O-N 3.19Å; N421-E423 PolarHBondContact OD1-N 3.27Å; E423-N425 WeakPolarHBondContact CB-ND2 3.32Å; E423-N425 WeakPolarHBondContact CB-OD1 3.34Å; E423-N425 PolarHBondContact O-N 2.85Å; E423-N425 PolarHBondContact O-OD1 3.46Å; E423-N425 PolarHBondContact OE2-ND2 3.41Å; E423-R428 PolarHBondContact O-NH1 3.28Å; E423-Y590 WeakPolarHBondContact OE1-CE1 3.36Å
424	L	74.4	Confident	83.6	Confident	8 Å²	8	36.1 Å²	36.1	4%	0.042	18%	0.183	C	C	.	.			trans	49.9	26.3	-173.2	-57.4	172.6	0	0	0	113.7	N419 N421 A426 V427 R428 F461 L597 L601 L604	N419-L424 WeakPolarHBondContact O-CD2 3.44Å; N421-L424 WeakPolarHBondContact O-CD2 3.38Å; N421-L424 PolarHBondContact O-N 2.99Å; N421-L424 VanDerWaalsContact OD1-CA 3.29Å; N421-L424 WeakPolarHBondContact OD1-CA 3.34Å; N421-L424 PolarHBondContact OD1-N 2.89Å; L424-A426 VanDerWaalsContact C-N 3.28Å; L424-A426 PolarHBondContact O-N 3.34Å; L424-V427 PolarHBondContact O-N 3.03Å; L424-R428 WeakPolarHBondContact O-CG 3.24Å; L424-R428 PolarHBondContact O-N 3.44Å; L424-F461 HydrophobicContact CD1-CE2 4.01Å; L424-F461 HydrophobicContact CD1-CZ 4.05Å; L424-L597 HydrophobicContact CD1-CD1 4.03Å; L424-L597 HydrophobicContact CD2-CD1 3.98Å; L424-L597 HydrophobicContact CD2-CD2 4.41Å; L424-L597 HydrophobicContact CG-CD1 3.83Å; L424-L601 HydrophobicContact CD1-CD2 4.34Å; L424-L601 HydrophobicContact CD2-CD2 4.14Å; L424-L604 HydrophobicContact CD1-CD1 4.45Å
425	N	74.6	Confident	83.7	Confident	74 Å²	74	33.7 Å²	33.7	40%	0.396	17%	0.169	S	C	.	.	H	α-helix	trans	-61.8	-36.8	-172.3	-71.8	-23.5	0	0	0	112	N421 E423 R428 E429	N421-N425 PolarHBondContact OD1-N 3.41Å; N421-N425 VanDerWaalsContact OD1-N 3.1Å; E423-N425 WeakPolarHBondContact CB-ND2 3.32Å; E423-N425 WeakPolarHBondContact CB-OD1 3.34Å; E423-N425 PolarHBondContact O-N 2.85Å; E423-N425 PolarHBondContact O-OD1 3.46Å; E423-N425 PolarHBondContact OE2-ND2 3.41Å; N425-R428 PolarHBondContact O-N 2.77Å; N425-E429 WeakPolarHBondContact O-CB 3.28Å; N425-E429 PolarHBondContact O-N 3.48Å
426	A	81.4	Confident	83.7	Confident	12 Å²	12	33.7 Å²	33.7	10%	0.099	17%	0.174	C	C	.	.	H	α-helix	trans	-67.4	-38.5	-179.3	0	0	0	0	0	111.8	S418 L424 Q430	S418-A426 VanDerWaalsContact O-CB 3.22Å; S418-A426 WeakPolarHBondContact O-CB 3.34Å; L424-A426 VanDerWaalsContact C-N 3.28Å; L424-A426 PolarHBondContact O-N 3.34Å; A426-Q430 VanDerWaalsContact O-CG 3.28Å; A426-Q430 WeakPolarHBondContact O-CG 3.43Å; A426-Q430 PolarHBondContact O-N 2.72Å; A426-Q430 PolarHBondContact O-NE2 2.88Å
427	V	81.7	Confident	83.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-71.3	-43.1	177.1	178.6	0	0	0	0	110.5	N419 L424 E429 Q430 F431 F461 L465	N419-V427 HydrophobicContact CB-CG2 3.53Å; N419-V427 VanDerWaalsContact O-CG2 3.24Å; N419-V427 WeakPolarHBondContact O-CG2 3.42Å; L424-V427 PolarHBondContact O-N 3.03Å; V427-E429 VanDerWaalsContact C-N 3.3Å; V427-E429 PolarHBondContact O-N 2.83Å; V427-Q430 WeakPolarHBondContact O-CB 3.47Å; V427-Q430 PolarHBondContact O-N 2.99Å; V427-Q430 VanDerWaalsContact O-N 3.14Å; V427-F431 HydrophobicContact CG1-CE1 3.87Å; V427-F431 HydrophobicContact CG1-CE2 3.8Å; V427-F431 HydrophobicContact CG1-CZ 3.32Å; V427-F431 PolarHBondContact O-N 3.49Å; V427-F461 HydrophobicContact CG1-CD2 3.89Å; V427-F461 HydrophobicContact CG1-CE2 3.93Å; V427-L465 HydrophobicContact CG2-CD1 4.33Å
428	R	80.3	Confident	84.3	Confident	141 Å²	141	31 Å²	31	53%	0.532	16%	0.161	S	C	.	.	H	α-helix	trans	-58.2	-43.5	174.7	-73	176.7	173.8	157.3	-1.5	111.9	E423 L424 N425 Q430 F431 N432	E423-R428 PolarHBondContact O-NH1 3.28Å; L424-R428 WeakPolarHBondContact O-CG 3.24Å; L424-R428 PolarHBondContact O-N 3.44Å; N425-R428 PolarHBondContact O-N 2.77Å; R428-Q430 VanDerWaalsContact C-N 3.33Å; R428-Q430 PolarHBondContact O-N 3.46Å; R428-F431 WeakPolarHBondContact O-CB 3.37Å; R428-F431 PolarHBondContact O-N 2.91Å; R428-F431 VanDerWaalsContact O-N 3.12Å; R428-N432 PolarHBondContact O-N 3.45Å
429	E	85.9	Confident	84.7	Confident	89 Å²	89	30 Å²	30	42%	0.416	15%	0.153	S	C	.	.	H	α-helix	trans	-68.6	-33.4	177.6	-169.8	58.8	-156.4	0	0	112.1	N425 V427 F431 N432 Q433 L566	N425-E429 WeakPolarHBondContact O-CB 3.28Å; N425-E429 PolarHBondContact O-N 3.48Å; V427-E429 VanDerWaalsContact C-N 3.3Å; V427-E429 PolarHBondContact O-N 2.83Å; E429-F431 VanDerWaalsContact C-N 3.29Å; E429-F431 PolarHBondContact O-N 2.92Å; E429-N432 WeakPolarHBondContact O-CB 3.35Å; E429-N432 PolarHBondContact O-N 3.31Å; E429-N432 VanDerWaalsContact O-N 3.14Å; E429-N432 PolarHBondContact OE2-ND2 3.21Å; E429-Q433 WeakPolarHBondContact O-CG 3.42Å; E429-Q433 PolarHBondContact O-N 3.33Å; E429-L566 HydrophobicContact CB-CD1 3.66Å; E429-L566 HydrophobicContact CG-CD1 3.23Å
430	Q	92	Very high	85.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-32.6	170.2	-74.7	166.6	65.5	0	0	112.7	N419 A426 V427 R428 Q433 L434 L464 H494 I495 L566	N419-Q430 PolarHBondContact OD1-NE2 3.33Å; A426-Q430 VanDerWaalsContact O-CG 3.28Å; A426-Q430 WeakPolarHBondContact O-CG 3.43Å; A426-Q430 PolarHBondContact O-N 2.72Å; A426-Q430 PolarHBondContact O-NE2 2.88Å; V427-Q430 WeakPolarHBondContact O-CB 3.47Å; V427-Q430 PolarHBondContact O-N 2.99Å; V427-Q430 VanDerWaalsContact O-N 3.14Å; R428-Q430 VanDerWaalsContact C-N 3.33Å; R428-Q430 PolarHBondContact O-N 3.46Å; Q430-Q433 WeakPolarHBondContact O-CB 3.42Å; Q430-Q433 PolarHBondContact O-N 3.16Å; Q430-L434 WeakPolarHBondContact O-CB 3.44Å; Q430-L434 PolarHBondContact O-N 2.85Å; Q430-L464 HydrophobicContact CB-CD1 3.77Å; Q430-H494 PolarHBondContact OE1-NE2 3.42Å; Q430-I495 HydrophobicContact CB-CD1 3.82Å; Q430-I495 HydrophobicContact CG-CD1 4.01Å; Q430-L566 HydrophobicContact CG-CB 4.31Å
431	F	88.9	Confident	85.8	Confident	13 Å²	13	31.5 Å²	31.5	6%	0.057	16%	0.162	C	C	.	.	H	α-helix	trans	-66.3	-40.7	170	-56.7	-33.9	0	0	0	112	V427 R428 E429 Q433 L434 F435 E456 M457 C460 F461 L464	V427-F431 HydrophobicContact CG1-CE1 3.87Å; V427-F431 HydrophobicContact CG1-CE2 3.8Å; V427-F431 HydrophobicContact CG1-CZ 3.32Å; V427-F431 PolarHBondContact O-N 3.49Å; R428-F431 WeakPolarHBondContact O-CB 3.37Å; R428-F431 PolarHBondContact O-N 2.91Å; R428-F431 VanDerWaalsContact O-N 3.12Å; E429-F431 VanDerWaalsContact C-N 3.29Å; E429-F431 PolarHBondContact O-N 2.92Å; F431-Q433 VanDerWaalsContact C-N 3.28Å; F431-Q433 PolarHBondContact O-N 3.26Å; F431-L434 PolarHBondContact O-N 2.85Å; F431-F435 WeakPolarHBondContact O-CB 3.29Å; F431-F435 PolarHBondContact O-N 3.09Å; F431-E456 WeakPolarHBondContact CB-O 3.48Å; F431-E456 VanDerWaalsContact CD2-O 3.31Å; F431-E456 WeakPolarHBondContact CD2-O 3.43Å; F431-M457 HydrophobicContact CB-CB 4.32Å; F431-M457 HydrophobicContact CG-CB 4.46Å; F431-C460 HydrophobicContact CD1-CB 4.31Å; F431-C460 HydrophobicContact CE1-CB 4.08Å; F431-F461 HydrophobicContact CE2-CD2 4.08Å; F431-F461 HydrophobicContact CZ-CB 3.84Å; F431-F461 AromaticContact CZ-CD2 3.73Å; F431-F461 HydrophobicContact CZ-CD2 3.73Å; F431-F461 HydrophobicContact CZ-CG 4.24Å; F431-L464 HydrophobicContact CD1-CD1 3.58Å; F431-L464 HydrophobicContact CE1-CB 4.41Å; F431-L464 HydrophobicContact CE1-CD1 3.62Å; F431-L464 HydrophobicContact CE1-CG 4.15Å
432	N	88.1	Confident	86.8	Confident	71 Å²	71	30.2 Å²	30.2	38%	0.38	16%	0.155	S	C	.	.	H	α-helix	trans	-61	-40.6	174.7	-65.3	-26.2	0	0	0	111.2	R428 E429 F435 S436	R428-N432 PolarHBondContact O-N 3.45Å; E429-N432 WeakPolarHBondContact O-CB 3.35Å; E429-N432 PolarHBondContact O-N 3.31Å; E429-N432 VanDerWaalsContact O-N 3.14Å; E429-N432 PolarHBondContact OE2-ND2 3.21Å; N432-F435 PolarHBondContact O-N 3.29Å; N432-S436 VanDerWaalsContact O-CB 3.29Å; N432-S436 WeakPolarHBondContact O-CB 3.38Å; N432-S436 PolarHBondContact O-N 2.88Å; N432-S436 PolarHBondContact O-OG 2.75Å
433	Q	93.4	Very high	88.4	Confident	21 Å²	21	31.3 Å²	31.3	10%	0.098	16%	0.157	C	C	.	.	H	α-helix	trans	-61.9	-47.7	173.7	-72.6	-179.5	-24.5	0	0	111.6	E429 Q430 F431 F435 S436 L437 I495 I560	E429-Q433 WeakPolarHBondContact O-CG 3.42Å; E429-Q433 PolarHBondContact O-N 3.33Å; Q430-Q433 WeakPolarHBondContact O-CB 3.42Å; Q430-Q433 PolarHBondContact O-N 3.16Å; F431-Q433 VanDerWaalsContact C-N 3.28Å; F431-Q433 PolarHBondContact O-N 3.26Å; Q433-F435 PolarHBondContact O-N 2.77Å; Q433-S436 PolarHBondContact O-N 3.14Å; Q433-L437 WeakPolarHBondContact O-CB 3.43Å; Q433-L437 PolarHBondContact O-N 2.79Å; Q433-I495 HydrophobicContact CB-CG2 4.33Å; Q433-I560 HydrophobicContact CB-CD1 3.59Å; Q433-I560 HydrophobicContact CB-CG1 3.81Å; Q433-I560 HydrophobicContact CG-CD1 3.92Å; Q433-I560 HydrophobicContact CG-CG1 3.71Å; Q433-I560 VanDerWaalsContact O-CD1 3.31Å; Q433-I560 WeakPolarHBondContact O-CD1 3.32Å
434	L	96.1	Very high	89.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-45.4	177	177.7	56	0	0	0	112	Q430 F431 L437 I438 M457 C460 I495 A498 A499 L502	Q430-L434 WeakPolarHBondContact O-CB 3.44Å; Q430-L434 PolarHBondContact O-N 2.85Å; F431-L434 PolarHBondContact O-N 2.85Å; L434-L437 PolarHBondContact O-N 3.47Å; L434-I438 HydrophobicContact CD1-CD1 3.99Å; L434-I438 HydrophobicContact CD1-CG1 4.5Å; L434-I438 HydrophobicContact CG-CD1 4.2Å; L434-I438 WeakPolarHBondContact O-CG1 3.48Å; L434-I438 PolarHBondContact O-N 2.88Å; L434-M457 HydrophobicContact CB-SD 4.09Å; L434-M457 HydrophobicContact CD2-SD 3.76Å; L434-M457 HydrophobicContact CG-CE 4.48Å; L434-M457 HydrophobicContact CG-SD 3.63Å; L434-C460 HydrophobicContact CD2-CB 4.19Å; L434-I495 HydrophobicContact CB-CG2 4.14Å; L434-I495 HydrophobicContact CD1-CG2 4.39Å; L434-A498 HydrophobicContact CD1-CB 3.8Å; L434-A498 HydrophobicContact CD2-CB 3.8Å; L434-A498 HydrophobicContact CG-CB 4.44Å; L434-A499 HydrophobicContact CD1-CB 3.69Å; L434-L502 HydrophobicContact CD1-CD1 4.44Å; L434-L502 HydrophobicContact CD2-CD1 3.94Å; L434-L502 HydrophobicContact CG-CD1 4.34Å
435	F	94.1	Very high	90.8	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.018	16%	0.162	C	C	.	.	H	α-helix	trans	-64.2	-45.3	177.2	-172.6	-85.7	0	0	0	111.5	F431 N432 Q433 L437 I438 E439 L449 E450 K455 M457	F431-F435 WeakPolarHBondContact O-CB 3.29Å; F431-F435 PolarHBondContact O-N 3.09Å; N432-F435 PolarHBondContact O-N 3.29Å; Q433-F435 PolarHBondContact O-N 2.77Å; F435-L437 VanDerWaalsContact C-N 3.26Å; F435-L437 PolarHBondContact O-N 2.92Å; F435-I438 PolarHBondContact O-N 2.86Å; F435-I438 VanDerWaalsContact O-N 3.16Å; F435-E439 HydrophobicContact CE1-CB 4.23Å; F435-E439 WeakPolarHBondContact O-CB 3.47Å; F435-E439 PolarHBondContact O-N 3.07Å; F435-L449 HydrophobicContact CE2-CB 4.24Å; F435-E450 HydrophobicContact CE1-CG 4.45Å; F435-E450 WeakPolarHBondContact CE1-OE1 3.28Å; F435-E450 HydrophobicContact CE2-CG 4.12Å; F435-E450 HydrophobicContact CZ-CG 3.59Å; F435-E450 WeakPolarHBondContact CZ-OE1 3.17Å; F435-K455 HydrophobicContact CD1-CG 4.12Å; F435-K455 HydrophobicContact CD2-CB 4.32Å; F435-K455 HydrophobicContact CD2-CG 3.78Å; F435-K455 WeakPolarHBondContact CD2-O 3.36Å; F435-K455 HydrophobicContact CE1-CD 4.41Å; F435-K455 HydrophobicContact CE1-CG 4.02Å; F435-K455 HydrophobicContact CE2-CB 4.09Å; F435-K455 HydrophobicContact CE2-CG 3.71Å; F435-K455 HydrophobicContact CG-CG 4.02Å; F435-K455 HydrophobicContact CZ-CD 4.48Å; F435-K455 HydrophobicContact CZ-CG 3.85Å; F435-M457 HydrophobicContact CB-CE 4.01Å; F435-M457 HydrophobicContact CB-SD 3.96Å; F435-M457 HydrophobicContact CD2-CE 3.56Å; F435-M457 HydrophobicContact CD2-SD 4.35Å; F435-M457 HydrophobicContact CE2-CE 4.45Å; F435-M457 HydrophobicContact CG-CE 4.24Å
436	S	92.5	Very high	91.7	Very high	29 Å²	29	27.6 Å²	27.6	20%	0.203	14%	0.143	C	C	.	.	H	α-helix	trans	-59.5	-39	177.3	-61	0	0	0	0	111.8	N432 Q433 E439 I440	N432-S436 VanDerWaalsContact O-CB 3.29Å; N432-S436 WeakPolarHBondContact O-CB 3.38Å; N432-S436 PolarHBondContact O-N 2.88Å; N432-S436 PolarHBondContact O-OG 2.75Å; Q433-S436 PolarHBondContact O-N 3.14Å; S436-E439 PolarHBondContact O-N 2.98Å; S436-I440 PolarHBondContact O-N 3.16Å
437	L	95.8	Very high	92.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-47.5	175.3	-176	62.9	0	0	0	111.1	Q433 L434 F435 E439 I440 V441 I495 F496 A499 L542 L546 V557	Q433-L437 WeakPolarHBondContact O-CB 3.43Å; Q433-L437 PolarHBondContact O-N 2.79Å; L434-L437 PolarHBondContact O-N 3.47Å; F435-L437 VanDerWaalsContact C-N 3.26Å; F435-L437 PolarHBondContact O-N 2.92Å; L437-E439 VanDerWaalsContact C-N 3.32Å; L437-E439 PolarHBondContact O-N 3.19Å; L437-I440 PolarHBondContact O-N 2.86Å; L437-V441 HydrophobicContact CD1-CG2 4.3Å; L437-V441 WeakPolarHBondContact O-CB 3.41Å; L437-V441 WeakPolarHBondContact O-CG2 3.39Å; L437-V441 PolarHBondContact O-N 3.09Å; L437-I495 HydrophobicContact CD2-CG2 4.27Å; L437-F496 HydrophobicContact CD1-CD1 4.37Å; L437-F496 HydrophobicContact CD1-CE1 3.86Å; L437-F496 HydrophobicContact CD2-CD1 3.73Å; L437-F496 HydrophobicContact CD2-CE1 3.93Å; L437-F496 HydrophobicContact CD2-CG 4.2Å; L437-A499 HydrophobicContact CD2-CB 3.65Å; L437-A499 HydrophobicContact CG-CB 4.3Å; L437-L542 HydrophobicContact CD2-CD2 4.37Å; L437-L546 HydrophobicContact CD1-CD1 3.3Å; L437-V557 HydrophobicContact CD1-CG1 4.23Å
438	I	96.6	Very high	92.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.8	-37.9	177.3	-70.8	166.8	0	0	0	111.4	L434 F435 I440 V441 D442 F445 M457 A499 L502	L434-I438 HydrophobicContact CD1-CD1 3.99Å; L434-I438 HydrophobicContact CD1-CG1 4.5Å; L434-I438 HydrophobicContact CG-CD1 4.2Å; L434-I438 WeakPolarHBondContact O-CG1 3.48Å; L434-I438 PolarHBondContact O-N 2.88Å; F435-I438 PolarHBondContact O-N 2.86Å; F435-I438 VanDerWaalsContact O-N 3.16Å; I438-I440 VanDerWaalsContact C-N 3.29Å; I438-I440 PolarHBondContact O-N 3.44Å; I438-V441 PolarHBondContact O-N 2.89Å; I438-D442 CarbonylContact O-C 3.58Å; I438-D442 PolarHBondContact O-N 2.79Å; I438-F445 HydrophobicContact CG2-CD1 3.71Å; I438-F445 HydrophobicContact CG2-CE1 4.36Å; I438-M457 HydrophobicContact CD1-CE 3.52Å; I438-A499 HydrophobicContact CG1-CB 4.35Å; I438-L502 HydrophobicContact CD1-CB 4.14Å; I438-L502 HydrophobicContact CD1-CD1 3.59Å
439	E	94	Very high	93.5	Very high	10 Å²	10	26.2 Å²	26.2	5%	0.047	14%	0.139	C	C	.	.	H	α-helix	trans	-61.6	-36.2	178.2	177.4	168.6	-147.6	0	0	112.6	R217 R231 P232 F435 S436 L437 P443 S446	R217-E439 IonicContact CZ-OE1 3.41Å; R217-E439 IonicContact CZ-OE2 3.27Å; R217-E439 IonicContact NH1-OE1 3.14Å; R217-E439 PolarHBondContact NH1-OE1 2.91Å; R217-E439 IonicContact NH1-OE2 2.92Å; R217-E439 PolarHBondContact NH1-OE2 2.53Å; R217-E439 VanDerWaalsContact NH1-OE2 3.17Å; R217-E439 IonicContact NH2-OE1 2.77Å; R217-E439 PolarHBondContact NH2-OE1 3.22Å; R217-E439 IonicContact NH2-OE2 3.05Å; R217-E439 PolarHBondContact NH2-OE2 2.74Å; R231-E439 VanDerWaalsContact CD-OE1 3.23Å; R231-E439 WeakPolarHBondContact CD-OE1 3.5Å; R231-E439 VanDerWaalsContact CG-OE1 3.24Å; R231-E439 WeakPolarHBondContact CG-OE1 3.4Å; R231-E439 IonicContact NE-OE1 3.97Å; P232-E439 VanDerWaalsContact CD-CD 3.41Å; P232-E439 VanDerWaalsContact CD-OE1 3.25Å; P232-E439 WeakPolarHBondContact CD-OE1 3.3Å; P232-E439 HydrophobicContact CG-CG 4.26Å; F435-E439 HydrophobicContact CE1-CB 4.23Å; F435-E439 WeakPolarHBondContact O-CB 3.47Å; F435-E439 PolarHBondContact O-N 3.07Å; S436-E439 PolarHBondContact O-N 2.98Å; L437-E439 VanDerWaalsContact C-N 3.32Å; L437-E439 PolarHBondContact O-N 3.19Å; E439-P443 WeakPolarHBondContact O-CG 3.48Å; E439-S446 WeakPolarHBondContact CA-OG 3.36Å
440	I	94.1	Very high	93.7	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.036	13%	0.126	C	C	.	.	H	α-helix	trans	-75.6	-40.2	173.6	-68.1	-51.2	0	0	0	112	P232 I235 L237 S436 L437 I438 L546 L553 P554 V557	P232-I440 HydrophobicContact CB-CD1 3.5Å; P232-I440 HydrophobicContact CG-CD1 3.75Å; I235-I440 HydrophobicContact CD1-CD1 4.09Å; I235-I440 HydrophobicContact CD1-CG2 4.37Å; L237-I440 HydrophobicContact CD2-CG2 4.43Å; S436-I440 PolarHBondContact O-N 3.16Å; L437-I440 PolarHBondContact O-N 2.86Å; I438-I440 VanDerWaalsContact C-N 3.29Å; I438-I440 PolarHBondContact O-N 3.44Å; I440-L546 HydrophobicContact CG2-CD2 4.23Å; I440-L553 HydrophobicContact CG2-CD2 3.87Å; I440-P554 HydrophobicContact CD1-CG 3.82Å; I440-P554 HydrophobicContact CG1-CG 4.33Å; I440-V557 HydrophobicContact CG1-CG2 3.82Å
441	V	95.8	Very high	93.6	Very high	26 Å²	26	27.5 Å²	27.5	16%	0.158	15%	0.154	C	C	.	.	H	α-helix	trans	-79	-40.6	-171.1	176	0	0	0	0	112.1	L237 L437 I438 L503 L542 L546	L237-V441 HydrophobicContact CD1-CG1 4.41Å; L437-V441 HydrophobicContact CD1-CG2 4.3Å; L437-V441 WeakPolarHBondContact O-CB 3.41Å; L437-V441 WeakPolarHBondContact O-CG2 3.39Å; L437-V441 PolarHBondContact O-N 3.09Å; I438-V441 PolarHBondContact O-N 2.89Å; V441-L503 HydrophobicContact CB-CD1 4.41Å; V441-L503 HydrophobicContact CG1-CD1 3.67Å; V441-L503 HydrophobicContact CG1-CD2 4.38Å; V441-L542 HydrophobicContact CB-CD1 4.44Å; V441-L542 HydrophobicContact CG1-CD1 3.83Å; V441-L542 HydrophobicContact CG2-CD1 3.68Å; V441-L546 HydrophobicContact CG2-CD1 4.13Å; V441-L546 HydrophobicContact CG2-CD2 4.38Å
442	D	95.6	Very high	93.6	Very high	29 Å²	29	30.3 Å²	30.3	16%	0.155	17%	0.167	C	C	.	.			trans	-144.4	81.8	-178.2	-163.6	-37.8	0	0	0	111	I438 T444 F445 S446 L503 R506	I438-D442 CarbonylContact O-C 3.58Å; I438-D442 PolarHBondContact O-N 2.79Å; D442-T444 PolarHBondContact O-N 3.16Å; D442-F445 HydrophobicContact CB-CB 3.96Å; D442-F445 PolarHBondContact O-N 3.15Å; D442-F445 WeakPolarHBondContact OD1-CB 3.41Å; D442-F445 PolarHBondContact OD1-N 3.4Å; D442-S446 PolarHBondContact O-N 3.04Å; D442-L503 HydrophobicContact CB-CD2 3.79Å; D442-R506 IonicContact OD1-CZ 3.03Å; D442-R506 IonicContact OD1-NE 3.04Å; D442-R506 PolarHBondContact OD1-NE 3.32Å; D442-R506 IonicContact OD1-NH2 2.73Å; D442-R506 PolarHBondContact OD1-NH2 3.38Å; D442-R506 WeakPolarHBondContact OD2-CD 3.26Å; D442-R506 IonicContact OD2-CZ 3.18Å; D442-R506 IonicContact OD2-NE 3.41Å; D442-R506 PolarHBondContact OD2-NE 2.89Å; D442-R506 IonicContact OD2-NH2 3.75Å
443	P	93.8	Very high	93.5	Very high	50 Å²	50	32 Å²	32	33%	0.325	18%	0.184	S	C	.	.	H	α-helix	trans	-56.2	-35.5	-178.1	-26	32.8	0	0	0	113.5	E439 S446 E447	E439-P443 WeakPolarHBondContact O-CG 3.48Å; P443-S446 WeakPolarHBondContact CA-OG 3.25Å; P443-S446 PolarHBondContact O-N 3.23Å; P443-S446 PolarHBondContact O-OG 2.84Å; P443-E447 WeakPolarHBondContact O-CB 3.3Å; P443-E447 WeakPolarHBondContact O-CG 3.45Å; P443-E447 PolarHBondContact O-N 3.47Å
444	T	94.8	Very high	93.2	Very high	77 Å²	77	31 Å²	31	47%	0.472	18%	0.18	S	C	.	.	H	α-helix	trans	-65.3	-40.1	177.9	-57	0	0	0	0	111.4	D442 E447 Y448 M510	D442-T444 PolarHBondContact O-N 3.16Å; T444-E447 WeakPolarHBondContact O-CB 3.37Å; T444-Y448 PolarHBondContact O-N 3.32Å; T444-M510 HydrophobicContact CG2-CE 4.19Å
445	F	96.7	Very high	92.8	Very high	1 Å²	1	34 Å²	34	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-71	-40.5	176.5	-174.4	-134.1	0	0	0	112	I438 D442 E447 Y448 L449 L502 L503 R506 I509 M510	I438-F445 HydrophobicContact CG2-CD1 3.71Å; I438-F445 HydrophobicContact CG2-CE1 4.36Å; D442-F445 HydrophobicContact CB-CB 3.96Å; D442-F445 PolarHBondContact O-N 3.15Å; D442-F445 WeakPolarHBondContact OD1-CB 3.41Å; D442-F445 PolarHBondContact OD1-N 3.4Å; F445-E447 VanDerWaalsContact C-N 3.3Å; F445-E447 PolarHBondContact O-N 3.47Å; F445-Y448 WeakPolarHBondContact O-CB 3.25Å; F445-Y448 PolarHBondContact O-N 2.96Å; F445-L449 HydrophobicContact CD1-CD1 4.35Å; F445-L449 HydrophobicContact CD2-CG 4.42Å; F445-L449 HydrophobicContact CE1-CD1 3.99Å; F445-L449 HydrophobicContact CE2-CD1 4.4Å; F445-L449 HydrophobicContact CE2-CD2 4.09Å; F445-L449 HydrophobicContact CE2-CG 4.11Å; F445-L449 HydrophobicContact CZ-CD1 4.01Å; F445-L449 HydrophobicContact CZ-CD2 4.12Å; F445-L449 HydrophobicContact CZ-CG 4.19Å; F445-L449 WeakPolarHBondContact O-CG 3.29Å; F445-L449 PolarHBondContact O-N 2.88Å; F445-L502 HydrophobicContact CE1-CB 4.31Å; F445-L503 HydrophobicContact CD1-CD2 4.22Å; F445-R506 HydrophobicContact CB-CG 4.04Å; F445-R506 HydrophobicContact CD1-CB 4.47Å; F445-R506 HydrophobicContact CD1-CG 4.36Å; F445-R506 HydrophobicContact CD2-CB 4.32Å; F445-R506 HydrophobicContact CD2-CG 3.78Å; F445-R506 HydrophobicContact CE2-CB 4.43Å; F445-R506 HydrophobicContact CE2-CG 4.33Å; F445-R506 HydrophobicContact CG-CB 4.35Å; F445-R506 HydrophobicContact CG-CG 3.81Å; F445-I509 HydrophobicContact CE2-CB 4.31Å; F445-I509 HydrophobicContact CE2-CD1 4.32Å; F445-I509 HydrophobicContact CE2-CG2 4.04Å; F445-I509 HydrophobicContact CZ-CD1 3.98Å; F445-M510 HydrophobicContact CB-SD 4.34Å; F445-M510 HydrophobicContact CD2-CG 4.07Å; F445-M510 HydrophobicContact CD2-SD 3.88Å
446	S	94.7	Very high	92.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-39.3	174.4	60.2	0	0	0	0	112.5	E439 D442 P443 Y448 L449 E450	E439-S446 WeakPolarHBondContact CA-OG 3.36Å; D442-S446 PolarHBondContact O-N 3.04Å; P443-S446 WeakPolarHBondContact CA-OG 3.25Å; P443-S446 PolarHBondContact O-N 3.23Å; P443-S446 PolarHBondContact O-OG 2.84Å; S446-Y448 VanDerWaalsContact C-N 3.32Å; S446-Y448 PolarHBondContact O-N 2.92Å; S446-L449 PolarHBondContact O-N 3.09Å; S446-E450 PolarHBondContact O-N 2.78Å
447	E	92.2	Very high	91.9	Very high	88 Å²	88	39.8 Å²	39.8	41%	0.411	22%	0.216	S	C	.	.	H	α-helix	trans	-60.2	-43.7	174.2	-88.5	172.5	-165.6	0	0	112.1	R231 P443 T444 F445 E450 S451	R231-E447 IonicContact CZ-OE1 3.51Å; R231-E447 VanDerWaalsContact NH1-CD 3.28Å; R231-E447 IonicContact NH1-OE1 3.45Å; R231-E447 PolarHBondContact NH1-OE1 2.93Å; P443-E447 WeakPolarHBondContact O-CB 3.3Å; P443-E447 WeakPolarHBondContact O-CG 3.45Å; P443-E447 PolarHBondContact O-N 3.47Å; T444-E447 WeakPolarHBondContact O-CB 3.37Å; F445-E447 VanDerWaalsContact C-N 3.3Å; F445-E447 PolarHBondContact O-N 3.47Å; E447-E450 PolarHBondContact O-N 2.87Å; E447-S451 WeakPolarHBondContact O-CB 3.48Å; E447-S451 PolarHBondContact O-N 3.04Å
448	Y	95.4	Very high	91.1	Very high	34 Å²	34	43.3 Å²	43.3	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-60.3	-49.4	176	-178.3	-90	0	0	0	111.1	T444 F445 S446 E450 S451 K452 I509 M510 K513 Y514	T444-Y448 PolarHBondContact O-N 3.32Å; F445-Y448 WeakPolarHBondContact O-CB 3.25Å; F445-Y448 PolarHBondContact O-N 2.96Å; S446-Y448 VanDerWaalsContact C-N 3.32Å; S446-Y448 PolarHBondContact O-N 2.92Å; Y448-E450 PolarHBondContact O-N 2.97Å; Y448-S451 PolarHBondContact O-N 3.34Å; Y448-S451 PolarHBondContact O-OG 3.45Å; Y448-K452 HydrophobicContact CD1-CG 4.36Å; Y448-K452 HydrophobicContact CE1-CG 3.82Å; Y448-K452 HydrophobicContact CE2-CG 4.39Å; Y448-K452 WeakPolarHBondContact O-CG 3.5Å; Y448-K452 PolarHBondContact O-N 3.15Å; Y448-K452 VanDerWaalsContact O-N 3.16Å; Y448-K452 WeakPolarHBondContact OH-CE 3.39Å; Y448-I509 HydrophobicContact CD1-CG2 4.2Å; Y448-I509 HydrophobicContact CE1-CG2 3.72Å; Y448-M510 HydrophobicContact CD1-CG 3.98Å; Y448-M510 HydrophobicContact CD2-CG 4Å; Y448-M510 HydrophobicContact CE1-CG 4.46Å; Y448-M510 HydrophobicContact CE2-CG 4.44Å; Y448-M510 HydrophobicContact CG-CG 3.75Å; Y448-K513 WeakPolarHBondContact OH-CA 3.27Å; Y448-K513 PolarHBondContact OH-O 2.84Å; Y448-Y514 PolarHBondContact OH-N 2.85Å; Y448-Y514 PolarHBondContact OH-O 2.57Å
449	L	93.5	Very high	90.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-44.7	178.9	-67.3	176.4	0	0	0	111.8	F435 F445 S446 S451 K452 S453 A454 M457 F459 I519	F435-L449 HydrophobicContact CE2-CB 4.24Å; F445-L449 HydrophobicContact CD1-CD1 4.35Å; F445-L449 HydrophobicContact CD2-CG 4.42Å; F445-L449 HydrophobicContact CE1-CD1 3.99Å; F445-L449 HydrophobicContact CE2-CD1 4.4Å; F445-L449 HydrophobicContact CE2-CD2 4.09Å; F445-L449 HydrophobicContact CE2-CG 4.11Å; F445-L449 HydrophobicContact CZ-CD1 4.01Å; F445-L449 HydrophobicContact CZ-CD2 4.12Å; F445-L449 HydrophobicContact CZ-CG 4.19Å; F445-L449 WeakPolarHBondContact O-CG 3.29Å; F445-L449 PolarHBondContact O-N 2.88Å; S446-L449 PolarHBondContact O-N 3.09Å; L449-S451 PolarHBondContact O-N 3.44Å; L449-K452 CarbonylContact O-C 3.47Å; L449-K452 PolarHBondContact O-N 3.45Å; L449-S453 PolarHBondContact O-N 3.31Å; L449-A454 HydrophobicContact CB-CB 4.32Å; L449-A454 HydrophobicContact CD2-CB 4.12Å; L449-A454 WeakPolarHBondContact O-CA 3.32Å; L449-A454 WeakPolarHBondContact O-CB 3.22Å; L449-A454 PolarHBondContact O-N 2.7Å; L449-M457 HydrophobicContact CD1-CE 3.6Å; L449-F459 HydrophobicContact CD2-CZ 4.49Å; L449-I519 HydrophobicContact CD2-CD1 3.8Å
450	E	89.8	Confident	90.4	Very high	33 Å²	33	43.1 Å²	43.1	15%	0.154	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-45.9	174.6	-85.7	-179.9	176.8	0	0	112.2	R217 R231 F435 S446 E447 Y448 K452 S453 K455	R217-E450 WeakPolarHBondContact CD-OE1 3.4Å; R217-E450 IonicContact CZ-OE1 3.92Å; R217-E450 IonicContact NE-OE1 3.52Å; R217-E450 IonicContact NH1-OE1 3.38Å; R217-E450 PolarHBondContact NH1-OE1 2.99Å; R217-E450 IonicContact NH1-OE2 3.16Å; R231-E450 IonicContact CZ-OE2 3.79Å; R231-E450 IonicContact NE-OE2 2.74Å; R231-E450 PolarHBondContact NE-OE2 3.25Å; R231-E450 IonicContact NH2-OE2 3.52Å; R231-E450 PolarHBondContact NH2-OE2 3Å; F435-E450 HydrophobicContact CE1-CG 4.45Å; F435-E450 WeakPolarHBondContact CE1-OE1 3.28Å; F435-E450 HydrophobicContact CE2-CG 4.12Å; F435-E450 HydrophobicContact CZ-CG 3.59Å; F435-E450 WeakPolarHBondContact CZ-OE1 3.17Å; S446-E450 PolarHBondContact O-N 2.78Å; E447-E450 PolarHBondContact O-N 2.87Å; Y448-E450 PolarHBondContact O-N 2.97Å; E450-K452 PolarHBondContact O-N 2.98Å; E450-K452 VanDerWaalsContact O-N 3.08Å; E450-S453 PolarHBondContact O-N 3.15Å; E450-K455 HydrophobicContact CG-CB 3.9Å; E450-K455 HydrophobicContact CG-CD 3.93Å; E450-K455 HydrophobicContact CG-CG 3.99Å; E450-K455 WeakPolarHBondContact OE1-CD 3.49Å; E450-K455 IonicContact OE1-NZ 2.88Å
451	S	90.2	Very high	90.1	Very high	84 Å²	84	43.4 Å²	43.4	59%	0.587	24%	0.239	S	C	*	.	H	α-helix	trans	-62	-19.5	178.9	79.9	0	0	0	0	113.8	E447 Y448 L449	E447-S451 WeakPolarHBondContact O-CB 3.48Å; E447-S451 PolarHBondContact O-N 3.04Å; Y448-S451 PolarHBondContact O-N 3.34Å; Y448-S451 PolarHBondContact O-OG 3.45Å; L449-S451 PolarHBondContact O-N 3.44Å
452	K	89.4	Confident	89.7	Confident	72 Å²	72	43.1 Å²	43.1	31%	0.313	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	10.5	177.4	-62.3	-57.3	-176.7	178.9	0	113.4	Y448 L449 E450 A454	Y448-K452 HydrophobicContact CD1-CG 4.36Å; Y448-K452 HydrophobicContact CE1-CG 3.82Å; Y448-K452 HydrophobicContact CE2-CG 4.39Å; Y448-K452 WeakPolarHBondContact O-CG 3.5Å; Y448-K452 PolarHBondContact O-N 3.15Å; Y448-K452 VanDerWaalsContact O-N 3.16Å; Y448-K452 WeakPolarHBondContact OH-CE 3.39Å; L449-K452 CarbonylContact O-C 3.47Å; L449-K452 PolarHBondContact O-N 3.45Å; E450-K452 PolarHBondContact O-N 2.98Å; E450-K452 VanDerWaalsContact O-N 3.08Å; K452-A454 HydrophobicContact CB-CB 4.39Å; K452-A454 PolarHBondContact O-N 3.26Å
453	S	85.4	Confident	89.7	Confident	106 Å²	106	41.8 Å²	41.8	74%	0.741	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	35.7	-175	-53.7	0	0	0	0	112.4	L449 E450	L449-S453 PolarHBondContact O-N 3.31Å; E450-S453 PolarHBondContact O-N 3.15Å
454	A	87.4	Confident	89.6	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.008	21%	0.213	C	C	.	.			trans	-109.9	11.8	-176.9	0	0	0	0	0	112.6	L449 K452 E456 M457 F459 A516 I519	L449-A454 HydrophobicContact CB-CB 4.32Å; L449-A454 HydrophobicContact CD2-CB 4.12Å; L449-A454 WeakPolarHBondContact O-CA 3.32Å; L449-A454 WeakPolarHBondContact O-CB 3.22Å; L449-A454 PolarHBondContact O-N 2.7Å; K452-A454 HydrophobicContact CB-CB 4.39Å; K452-A454 PolarHBondContact O-N 3.26Å; A454-E456 VanDerWaalsContact C-N 3.33Å; A454-E456 PolarHBondContact O-N 2.93Å; A454-M457 PolarHBondContact O-N 3.05Å; A454-F459 HydrophobicContact CB-CE1 4.01Å; A454-A516 HydrophobicContact CB-CB 4.28Å; A454-I519 HydrophobicContact CB-CD1 4.02Å
455	K	86.6	Confident	89.4	Confident	63 Å²	63	35.8 Å²	35.8	27%	0.274	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-38.7	-178.9	-177.2	-176.2	-179.8	179.8	0	113.1	E229 F435 E450 M457	E229-K455 IonicContact OE2-NZ 3.17Å; F435-K455 HydrophobicContact CD1-CG 4.12Å; F435-K455 HydrophobicContact CD2-CB 4.32Å; F435-K455 HydrophobicContact CD2-CG 3.78Å; F435-K455 WeakPolarHBondContact CD2-O 3.36Å; F435-K455 HydrophobicContact CE1-CD 4.41Å; F435-K455 HydrophobicContact CE1-CG 4.02Å; F435-K455 HydrophobicContact CE2-CB 4.09Å; F435-K455 HydrophobicContact CE2-CG 3.71Å; F435-K455 HydrophobicContact CG-CG 4.02Å; F435-K455 HydrophobicContact CZ-CD 4.48Å; F435-K455 HydrophobicContact CZ-CG 3.85Å; E450-K455 HydrophobicContact CG-CB 3.9Å; E450-K455 HydrophobicContact CG-CD 3.93Å; E450-K455 HydrophobicContact CG-CG 3.99Å; E450-K455 WeakPolarHBondContact OE1-CD 3.49Å; E450-K455 IonicContact OE1-NZ 2.88Å; K455-M457 WeakPolarHBondContact O-CG 3.26Å; K455-M457 PolarHBondContact O-N 2.81Å
456	E	80.7	Confident	89.2	Confident	153 Å²	153	35.7 Å²	35.7	72%	0.715	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-10.2	-176.6	-62.9	176.7	173.4	0	0	113.4	F431 A454	F431-E456 WeakPolarHBondContact CB-O 3.48Å; F431-E456 VanDerWaalsContact CD2-O 3.31Å; F431-E456 WeakPolarHBondContact CD2-O 3.43Å; A454-E456 VanDerWaalsContact C-N 3.33Å; A454-E456 PolarHBondContact O-N 2.93Å
457	M	86.7	Confident	89.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.			trans	50.9	41.5	175	-62.2	177.5	163.2	0	0	116.1	F431 L434 F435 I438 L449 A454 K455 F459 C460 L502	F431-M457 HydrophobicContact CB-CB 4.32Å; F431-M457 HydrophobicContact CG-CB 4.46Å; L434-M457 HydrophobicContact CB-SD 4.09Å; L434-M457 HydrophobicContact CD2-SD 3.76Å; L434-M457 HydrophobicContact CG-CE 4.48Å; L434-M457 HydrophobicContact CG-SD 3.63Å; F435-M457 HydrophobicContact CB-CE 4.01Å; F435-M457 HydrophobicContact CB-SD 3.96Å; F435-M457 HydrophobicContact CD2-CE 3.56Å; F435-M457 HydrophobicContact CD2-SD 4.35Å; F435-M457 HydrophobicContact CE2-CE 4.45Å; F435-M457 HydrophobicContact CG-CE 4.24Å; I438-M457 HydrophobicContact CD1-CE 3.52Å; L449-M457 HydrophobicContact CD1-CE 3.6Å; A454-M457 PolarHBondContact O-N 3.05Å; K455-M457 WeakPolarHBondContact O-CG 3.26Å; K455-M457 PolarHBondContact O-N 2.81Å; M457-F459 HydrophobicContact CB-CE1 4.46Å; M457-F459 HydrophobicContact CB-CE2 4.22Å; M457-F459 HydrophobicContact CB-CZ 4.02Å; M457-F459 HydrophobicContact CG-CE1 4.48Å; M457-F459 HydrophobicContact CG-CE2 4.21Å; M457-F459 HydrophobicContact CG-CZ 3.78Å; M457-F459 PolarHBondContact O-N 3.22Å; M457-C460 WeakPolarHBondContact O-CB 3.18Å; M457-C460 PolarHBondContact O-N 3.46Å; M457-L502 HydrophobicContact CE-CD1 4.32Å
458	P	79.8	Confident	89.4	Confident	74 Å²	74	31.6 Å²	31.6	48%	0.481	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-61.7	-22.6	179.5	27.9	-36.2	0	0	0	112.6	C460 F461	P458-C460 PolarHBondContact O-N 2.93Å; P458-F461 WeakPolarHBondContact O-CB 3.23Å; P458-F461 PolarHBondContact O-N 3.19Å
459	F	85.9	Confident	89.5	Confident	7 Å²	7	30.4 Å²	30.4	3%	0.031	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-64.8	-14.3	173	50.6	-97.6	0	0	0	114.2	L449 A454 M457 L502 I519 L520 V523	L449-F459 HydrophobicContact CD2-CZ 4.49Å; A454-F459 HydrophobicContact CB-CE1 4.01Å; M457-F459 HydrophobicContact CB-CE1 4.46Å; M457-F459 HydrophobicContact CB-CE2 4.22Å; M457-F459 HydrophobicContact CB-CZ 4.02Å; M457-F459 HydrophobicContact CG-CE1 4.48Å; M457-F459 HydrophobicContact CG-CE2 4.21Å; M457-F459 HydrophobicContact CG-CZ 3.78Å; M457-F459 PolarHBondContact O-N 3.22Å; F459-L502 HydrophobicContact CD2-CD2 4.5Å; F459-L502 HydrophobicContact CE2-CD1 4.38Å; F459-L502 HydrophobicContact CE2-CD2 3.99Å; F459-I519 HydrophobicContact CD1-CG2 3.76Å; F459-I519 HydrophobicContact CD2-CG2 3.97Å; F459-I519 HydrophobicContact CE1-CG2 3.77Å; F459-I519 HydrophobicContact CE2-CG2 3.97Å; F459-I519 HydrophobicContact CG-CG2 3.87Å; F459-I519 HydrophobicContact CZ-CG2 3.87Å; F459-L520 HydrophobicContact CB-CB 4.03Å; F459-L520 HydrophobicContact CB-CD1 3.63Å; F459-L520 HydrophobicContact CB-CG 4.46Å; F459-V523 HydrophobicContact CB-CB 4.38Å; F459-V523 HydrophobicContact CB-CG1 4.39Å; F459-V523 HydrophobicContact CD2-CG2 3.97Å; F459-V523 VanDerWaalsContact O-CG1 3.28Å; F459-V523 WeakPolarHBondContact O-CG1 3.43Å
460	C	91.1	Very high	89.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-93.1	3.7	172	-62.8	0	0	0	0	112.9	F431 L434 M457 P458 R462 W463 L464	F431-C460 HydrophobicContact CD1-CB 4.31Å; F431-C460 HydrophobicContact CE1-CB 4.08Å; L434-C460 HydrophobicContact CD2-CB 4.19Å; M457-C460 WeakPolarHBondContact O-CB 3.18Å; M457-C460 PolarHBondContact O-N 3.46Å; P458-C460 PolarHBondContact O-N 2.93Å; C460-R462 PolarHBondContact O-N 3.12Å; C460-W463 HydrophobicContact CB-CE3 4.18Å; C460-W463 VanDerWaalsContact O-CB 3.31Å; C460-W463 WeakPolarHBondContact O-CB 3.48Å; C460-W463 PolarHBondContact O-N 3.39Å; C460-W463 VanDerWaalsContact O-N 3.12Å; C460-L464 PolarHBondContact O-N 3.39Å
461	F	86.8	Confident	89.8	Confident	13 Å²	13	31.1 Å²	31.1	6%	0.057	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-50.7	-172.6	-176.4	-89.3	0	0	0	113.3	L424 V427 F431 P458 W463 L464 L465 L601 L604	L424-F461 HydrophobicContact CD1-CE2 4.01Å; L424-F461 HydrophobicContact CD1-CZ 4.05Å; V427-F461 HydrophobicContact CG1-CD2 3.89Å; V427-F461 HydrophobicContact CG1-CE2 3.93Å; F431-F461 HydrophobicContact CE2-CD2 4.08Å; F431-F461 HydrophobicContact CZ-CB 3.84Å; F431-F461 AromaticContact CZ-CD2 3.73Å; F431-F461 HydrophobicContact CZ-CD2 3.73Å; F431-F461 HydrophobicContact CZ-CG 4.24Å; P458-F461 WeakPolarHBondContact O-CB 3.23Å; P458-F461 PolarHBondContact O-N 3.19Å; F461-W463 PolarHBondContact O-N 2.94Å; F461-L464 PolarHBondContact O-N 3.32Å; F461-L465 HydrophobicContact CD1-CD2 4.4Å; F461-L465 HydrophobicContact CE1-CB 4.3Å; F461-L465 HydrophobicContact CE1-CD2 3.56Å; F461-L465 HydrophobicContact CE1-CG 4.41Å; F461-L465 HydrophobicContact CZ-CD1 4.46Å; F461-L465 HydrophobicContact CZ-CD2 4Å; F461-L465 VanDerWaalsContact O-CB 3.3Å; F461-L465 WeakPolarHBondContact O-CB 3.43Å; F461-L465 PolarHBondContact O-N 3.37Å; F461-L601 HydrophobicContact CE1-CD2 3.88Å; F461-L601 HydrophobicContact CZ-CD2 3.54Å; F461-L604 HydrophobicContact CD1-CB 3.6Å; F461-L604 HydrophobicContact CD1-CD1 4.14Å; F461-L604 HydrophobicContact CD1-CG 4.37Å; F461-L604 HydrophobicContact CD2-CD1 4.24Å; F461-L604 HydrophobicContact CE1-CB 3.5Å; F461-L604 HydrophobicContact CE1-CD1 3.66Å; F461-L604 HydrophobicContact CE1-CG 4.2Å; F461-L604 HydrophobicContact CE2-CD1 3.85Å; F461-L604 HydrophobicContact CG-CB 4.4Å; F461-L604 HydrophobicContact CG-CD1 4.41Å; F461-L604 HydrophobicContact CZ-CB 4.28Å; F461-L604 HydrophobicContact CZ-CD1 3.54Å
462	R	87.9	Confident	90.2	Very high	20 Å²	20	27.6 Å²	27.6	8%	0.075	14%	0.142	C	C	.	.	H	α-helix	trans	-60.6	-32.8	177.4	-165.2	171.9	75.7	-167.9	-1.4	112.3	C460 I466 E471	C460-R462 PolarHBondContact O-N 3.12Å; R462-I466 HydrophobicContact CG-CD1 3.98Å; R462-I466 HydrophobicContact CG-CG1 4.24Å; R462-I466 WeakPolarHBondContact O-CG1 3.29Å; R462-I466 PolarHBondContact O-N 2.89Å; R462-E471 IonicContact CZ-OE1 2.82Å; R462-E471 VanDerWaalsContact CZ-OE1 3.27Å; R462-E471 IonicContact NE-OE1 3.48Å; R462-E471 PolarHBondContact NE-OE1 3.1Å; R462-E471 IonicContact NH2-OE1 2.96Å; R462-E471 PolarHBondContact NH2-OE1 3.42Å; R462-E471 IonicContact NH2-OE2 3.96Å; R462-E471 PolarHBondContact NH2-OE2 3.05Å
463	W	94.9	Very high	90.5	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-65.1	-49.4	178.7	-66.4	-0	0	0	0	112.1	C460 F461 H467 F468 E471 A498 I501 L502 V523 L526 I530	C460-W463 HydrophobicContact CB-CE3 4.18Å; C460-W463 VanDerWaalsContact O-CB 3.31Å; C460-W463 WeakPolarHBondContact O-CB 3.48Å; C460-W463 PolarHBondContact O-N 3.39Å; C460-W463 VanDerWaalsContact O-N 3.12Å; F461-W463 PolarHBondContact O-N 2.94Å; W463-H467 CarbonylContact O-C 3.49Å; W463-H467 WeakPolarHBondContact O-CA 3.43Å; W463-H467 PolarHBondContact O-N 3.47Å; W463-H467 VanDerWaalsContact O-N 3.09Å; W463-F468 HydrophobicContact CB-CD1 3.64Å; W463-F468 HydrophobicContact CB-CD2 4.5Å; W463-F468 HydrophobicContact CB-CE1 3.42Å; W463-F468 VanDerWaalsContact CB-CE1 3.42Å; W463-F468 HydrophobicContact CB-CE2 4.29Å; W463-F468 HydrophobicContact CB-CG 4.19Å; W463-F468 HydrophobicContact CB-CZ 3.76Å; W463-F468 AromaticContact CD2-CD1 3.95Å; W463-F468 HydrophobicContact CD2-CD1 3.95Å; W463-F468 AromaticContact CD2-CE1 3.5Å; W463-F468 HydrophobicContact CD2-CE1 3.5Å; W463-F468 VanDerWaalsContact CD2-CE1 3.5Å; W463-F468 HydrophobicContact CD2-CZ 4.41Å; W463-F468 HydrophobicContact CE3-CD1 4.44Å; W463-F468 AromaticContact CE3-CE1 3.55Å; W463-F468 HydrophobicContact CE3-CE1 3.55Å; W463-F468 HydrophobicContact CE3-CZ 4.2Å; W463-F468 AromaticContact CG-CD1 3.6Å; W463-F468 HydrophobicContact CG-CD1 3.6Å; W463-F468 AromaticContact CG-CE1 3.49Å; W463-F468 HydrophobicContact CG-CE1 3.49Å; W463-F468 VanDerWaalsContact CG-CE1 3.49Å; W463-F468 HydrophobicContact CG-CZ 4.29Å; W463-F468 HydrophobicContact CZ3-CE1 4.39Å; W463-F468 PolarHBondContact O-N 2.75Å; W463-E471 VanDerWaalsContact CD1-CG 3.46Å; W463-E471 HydrophobicContact CG-CG 4.45Å; W463-A498 HydrophobicContact CE3-CB 4.35Å; W463-I501 HydrophobicContact CH2-CB 4.09Å; W463-I501 HydrophobicContact CH2-CG2 3.45Å; W463-I501 VanDerWaalsContact CH2-CG2 3.45Å; W463-I501 HydrophobicContact CZ2-CG2 4.08Å; W463-I501 HydrophobicContact CZ3-CB 4.23Å; W463-I501 HydrophobicContact CZ3-CG2 4.1Å; W463-L502 HydrophobicContact CH2-CD2 4.08Å; W463-L502 HydrophobicContact CH2-CG 4.42Å; W463-L502 HydrophobicContact CZ3-CD2 4.05Å; W463-L502 HydrophobicContact CZ3-CG 3.99Å; W463-V523 HydrophobicContact CH2-CG1 4.07Å; W463-V523 HydrophobicContact CZ2-CB 4.48Å; W463-V523 HydrophobicContact CZ2-CG1 3.44Å; W463-V523 VanDerWaalsContact CZ2-CG1 3.44Å; W463-L526 HydrophobicContact CZ2-CD1 4.37Å; W463-I530 HydrophobicContact CZ2-CD1 4.44Å
464	L	92.2	Very high	91.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-82.5	-32.5	-174.2	-55.8	-170.8	0	0	0	112.6	N419 Q430 F431 C460 F461 H467 F468 I495 A498	N419-L464 PolarHBondContact ND2-O 2.95Å; Q430-L464 HydrophobicContact CB-CD1 3.77Å; F431-L464 HydrophobicContact CD1-CD1 3.58Å; F431-L464 HydrophobicContact CE1-CB 4.41Å; F431-L464 HydrophobicContact CE1-CD1 3.62Å; F431-L464 HydrophobicContact CE1-CG 4.15Å; C460-L464 PolarHBondContact O-N 3.39Å; F461-L464 PolarHBondContact O-N 3.32Å; L464-H467 PolarHBondContact O-CD2 2.9Å; L464-F468 HydrophobicContact CD2-CE2 4.32Å; L464-F468 HydrophobicContact CD2-CZ 4.33Å; L464-I495 HydrophobicContact CD1-CD1 4.2Å; L464-I495 HydrophobicContact CD2-CD1 4.38Å; L464-A498 HydrophobicContact CD2-CB 4.24Å
465	L	89.8	Confident	91.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.4	-49.9	178.9	-175.2	70.6	0	0	0	112.1	N419 F420 V427 F461 L601 M605	N419-L465 HydrophobicContact CB-CD1 4.18Å; F420-L465 HydrophobicContact CD1-CD1 3.84Å; F420-L465 HydrophobicContact CE1-CD1 3.64Å; F420-L465 HydrophobicContact CE1-CD2 4.27Å; F420-L465 HydrophobicContact CE1-CG 3.92Å; F420-L465 HydrophobicContact CE2-CD1 4.46Å; F420-L465 HydrophobicContact CG-CD1 4.34Å; F420-L465 HydrophobicContact CZ-CD1 3.97Å; F420-L465 HydrophobicContact CZ-CG 4.16Å; V427-L465 HydrophobicContact CG2-CD1 4.33Å; F461-L465 HydrophobicContact CD1-CD2 4.4Å; F461-L465 HydrophobicContact CE1-CB 4.3Å; F461-L465 HydrophobicContact CE1-CD2 3.56Å; F461-L465 HydrophobicContact CE1-CG 4.41Å; F461-L465 HydrophobicContact CZ-CD1 4.46Å; F461-L465 HydrophobicContact CZ-CD2 4Å; F461-L465 VanDerWaalsContact O-CB 3.3Å; F461-L465 WeakPolarHBondContact O-CB 3.43Å; F461-L465 PolarHBondContact O-N 3.37Å; L465-L601 HydrophobicContact CD2-CD2 3.82Å; L465-M605 HydrophobicContact CD2-CG 4.15Å; L465-M605 HydrophobicContact CD2-SD 3.88Å
466	I	92.5	Very high	92	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	25.7	-175.4	58.2	165	0	0	0	112.9	L391 R462 F468 K469 R470 M605	L391-I466 HydrophobicContact CD2-CB 4.24Å; L391-I466 HydrophobicContact CG-CG2 4.47Å; R462-I466 HydrophobicContact CG-CD1 3.98Å; R462-I466 HydrophobicContact CG-CG1 4.24Å; R462-I466 WeakPolarHBondContact O-CG1 3.29Å; R462-I466 PolarHBondContact O-N 2.89Å; I466-F468 VanDerWaalsContact C-N 3.28Å; I466-F468 PolarHBondContact O-N 3.36Å; I466-F468 VanDerWaalsContact O-N 3.16Å; I466-K469 HydrophobicContact CB-CB 4.5Å; I466-K469 HydrophobicContact CD1-CB 4.25Å; I466-K469 VanDerWaalsContact O-CB 3.29Å; I466-K469 WeakPolarHBondContact O-CB 3.44Å; I466-K469 PolarHBondContact O-N 3.33Å; I466-R470 HydrophobicContact CD1-CB 4.06Å; I466-R470 HydrophobicContact CD1-CG 3.61Å; I466-M605 HydrophobicContact CD1-CE 4.03Å; I466-M605 HydrophobicContact CG2-CE 4.02Å
467	H	95.3	Very high	92.9	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.009	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	51.4	176.4	-81.4	-157.6	0	0	0	112.9	L416 W463 L464 K469 W481 F484	L416-H467 WeakPolarHBondContact CD2-CE1 3.41Å; L416-H467 WeakPolarHBondContact CD2-NE2 3.06Å; W463-H467 CarbonylContact O-C 3.49Å; W463-H467 WeakPolarHBondContact O-CA 3.43Å; W463-H467 PolarHBondContact O-N 3.47Å; W463-H467 VanDerWaalsContact O-N 3.09Å; L464-H467 PolarHBondContact O-CD2 2.9Å; H467-K469 PolarHBondContact O-N 2.98Å; H467-K469 VanDerWaalsContact O-N 3.1Å; H467-W481 PolarHBondContact O-NE1 2.83Å; H467-F484 HydrophobicContact CB-CD2 4.38Å; H467-F484 HydrophobicContact CB-CE2 4.36Å; H467-F484 AromaticContact ND1-CD2 3.71Å
468	F	97.1	Very high	93.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	14.9	176.1	-54.8	-100.7	0	0	0	116	W463 L464 I466 R470 E471 F472 L480 F484 F497 A498 I501	W463-F468 HydrophobicContact CB-CD1 3.64Å; W463-F468 HydrophobicContact CB-CD2 4.5Å; W463-F468 HydrophobicContact CB-CE1 3.42Å; W463-F468 VanDerWaalsContact CB-CE1 3.42Å; W463-F468 HydrophobicContact CB-CE2 4.29Å; W463-F468 HydrophobicContact CB-CG 4.19Å; W463-F468 HydrophobicContact CB-CZ 3.76Å; W463-F468 AromaticContact CD2-CD1 3.95Å; W463-F468 HydrophobicContact CD2-CD1 3.95Å; W463-F468 AromaticContact CD2-CE1 3.5Å; W463-F468 HydrophobicContact CD2-CE1 3.5Å; W463-F468 VanDerWaalsContact CD2-CE1 3.5Å; W463-F468 HydrophobicContact CD2-CZ 4.41Å; W463-F468 HydrophobicContact CE3-CD1 4.44Å; W463-F468 AromaticContact CE3-CE1 3.55Å; W463-F468 HydrophobicContact CE3-CE1 3.55Å; W463-F468 HydrophobicContact CE3-CZ 4.2Å; W463-F468 AromaticContact CG-CD1 3.6Å; W463-F468 HydrophobicContact CG-CD1 3.6Å; W463-F468 AromaticContact CG-CE1 3.49Å; W463-F468 HydrophobicContact CG-CE1 3.49Å; W463-F468 VanDerWaalsContact CG-CE1 3.49Å; W463-F468 HydrophobicContact CG-CZ 4.29Å; W463-F468 HydrophobicContact CZ3-CE1 4.39Å; W463-F468 PolarHBondContact O-N 2.75Å; L464-F468 HydrophobicContact CD2-CE2 4.32Å; L464-F468 HydrophobicContact CD2-CZ 4.33Å; I466-F468 VanDerWaalsContact C-N 3.28Å; I466-F468 PolarHBondContact O-N 3.36Å; I466-F468 VanDerWaalsContact O-N 3.16Å; F468-R470 PolarHBondContact O-N 3.36Å; F468-R470 VanDerWaalsContact O-N 3.09Å; F468-E471 HydrophobicContact CB-CB 4.41Å; F468-E471 HydrophobicContact CB-CG 4.2Å; F468-E471 HydrophobicContact CD1-CG 4.25Å; F468-E471 PolarHBondContact O-N 3.15Å; F468-F472 HydrophobicContact CB-CD2 3.88Å; F468-F472 HydrophobicContact CB-CE2 3.82Å; F468-F472 HydrophobicContact CD1-CE2 4.36Å; F468-F472 HydrophobicContact CG-CE2 4.37Å; F468-L480 HydrophobicContact CB-CD2 3.85Å; F468-L480 HydrophobicContact CD2-CD2 4.29Å; F468-L480 HydrophobicContact CG-CD2 4.26Å; F468-F484 HydrophobicContact CD2-CE2 4.02Å; F468-F484 HydrophobicContact CD2-CZ 4.15Å; F468-F484 HydrophobicContact CE2-CE2 4.32Å; F468-F484 HydrophobicContact CE2-CZ 4.15Å; F468-F497 HydrophobicContact CD1-CD1 4.29Å; F468-F497 HydrophobicContact CD1-CE1 4.1Å; F468-F497 HydrophobicContact CD2-CD1 4.11Å; F468-F497 HydrophobicContact CD2-CE1 4.35Å; F468-F497 AromaticContact CE1-CD1 3.94Å; F468-F497 HydrophobicContact CE1-CD1 3.94Å; F468-F497 HydrophobicContact CE1-CE1 4.14Å; F468-F497 AromaticContact CE2-CD1 3.8Å; F468-F497 HydrophobicContact CE2-CD1 3.8Å; F468-F497 HydrophobicContact CE2-CE1 4.44Å; F468-F497 HydrophobicContact CG-CD1 4.36Å; F468-F497 HydrophobicContact CG-CE1 4.2Å; F468-F497 AromaticContact CZ-CD1 3.7Å; F468-F497 HydrophobicContact CZ-CD1 3.7Å; F468-F497 HydrophobicContact CZ-CE1 4.32Å; F468-A498 HydrophobicContact CZ-CB 3.88Å; F468-I501 HydrophobicContact CD1-CD1 4.17Å; F468-I501 HydrophobicContact CE1-CD1 3.69Å
469	K	95.8	Very high	94.3	Very high	8 Å²	8	19.6 Å²	19.6	4%	0.035	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-34	-178.3	169.9	60.5	176.2	52.1	0	114	D351 D390 I466 H467 E471 T477 W481	D351-K469 IonicContact OD1-NZ 2.86Å; D351-K469 PolarHBondContact OD1-NZ 3.15Å; D351-K469 VanDerWaalsContact OD1-NZ 3.16Å; D351-K469 IonicContact OD2-NZ 3.15Å; D351-K469 PolarHBondContact OD2-NZ 2.89Å; D390-K469 HydrophobicContact CB-CG 4.2Å; D390-K469 IonicContact OD1-NZ 2.83Å; I466-K469 HydrophobicContact CB-CB 4.5Å; I466-K469 HydrophobicContact CD1-CB 4.25Å; I466-K469 VanDerWaalsContact O-CB 3.29Å; I466-K469 WeakPolarHBondContact O-CB 3.44Å; I466-K469 PolarHBondContact O-N 3.33Å; H467-K469 PolarHBondContact O-N 2.98Å; H467-K469 VanDerWaalsContact O-N 3.1Å; K469-E471 VanDerWaalsContact C-N 3.34Å; K469-T477 HydrophobicContact CB-CG2 4.39Å; K469-T477 HydrophobicContact CD-CG2 3.92Å; K469-W481 HydrophobicContact CB-CZ2 4.04Å; K469-W481 HydrophobicContact CD-CZ2 4.44Å
470	R	94.7	Very high	94.9	Very high	50 Å²	50	19.2 Å²	19.2	19%	0.189	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-2.6	178.7	-75.6	-177.1	179.6	-149.3	7.1	114.6	D390 I466 F468 S527 D606	D390-R470 IonicContact OD1-NE 3.32Å; D390-R470 IonicContact OD2-CZ 2.66Å; D390-R470 IonicContact OD2-NE 3.82Å; D390-R470 PolarHBondContact OD2-NE 3.28Å; D390-R470 IonicContact OD2-NH2 3.97Å; D390-R470 PolarHBondContact OD2-NH2 2.87Å; I466-R470 HydrophobicContact CD1-CB 4.06Å; I466-R470 HydrophobicContact CD1-CG 3.61Å; F468-R470 PolarHBondContact O-N 3.36Å; F468-R470 VanDerWaalsContact O-N 3.09Å; R470-S527 PolarHBondContact O-OG 3.15Å; R470-D606 IonicContact NH1-OD1 3.41Å
471	E	96.5	Very high	95.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-10.1	-177	-43	-48.8	148.9	0	0	113.1	R462 W463 F468 K469 S527 M528 I530	R462-E471 IonicContact CZ-OE1 2.82Å; R462-E471 VanDerWaalsContact CZ-OE1 3.27Å; R462-E471 IonicContact NE-OE1 3.48Å; R462-E471 PolarHBondContact NE-OE1 3.1Å; R462-E471 IonicContact NH2-OE1 2.96Å; R462-E471 PolarHBondContact NH2-OE1 3.42Å; R462-E471 IonicContact NH2-OE2 3.96Å; R462-E471 PolarHBondContact NH2-OE2 3.05Å; W463-E471 VanDerWaalsContact CD1-CG 3.46Å; W463-E471 HydrophobicContact CG-CG 4.45Å; F468-E471 HydrophobicContact CB-CB 4.41Å; F468-E471 HydrophobicContact CB-CG 4.2Å; F468-E471 HydrophobicContact CD1-CG 4.25Å; F468-E471 PolarHBondContact O-N 3.15Å; K469-E471 VanDerWaalsContact C-N 3.34Å; E471-S527 WeakPolarHBondContact OE2-CA 3.44Å; E471-S527 WeakPolarHBondContact OE2-CB 3.44Å; E471-M528 WeakPolarHBondContact O-CA 3.49Å; E471-M528 PolarHBondContact O-N 3.45Å; E471-I530 HydrophobicContact CB-CD1 4.01Å
472	F	97.5	Very high	95.8	Very high	10 Å²	10	18.7 Å²	18.7	4%	0.044	9%	0.088	C	C	.	.	S	Bend	trans	-136.5	157.5	-169.5	-69.1	-72.5	0	0	0	112.5	F468 D476 T477 L480 F497 I530 L532	F468-F472 HydrophobicContact CB-CD2 3.88Å; F468-F472 HydrophobicContact CB-CE2 3.82Å; F468-F472 HydrophobicContact CD1-CE2 4.36Å; F468-F472 HydrophobicContact CG-CE2 4.37Å; F472-D476 HydrophobicContact CB-CB 3.86Å; F472-D476 HydrophobicContact CD1-CB 4.01Å; F472-D476 HydrophobicContact CG-CB 4.27Å; F472-T477 WeakPolarHBondContact CB-OG1 3.47Å; F472-L480 HydrophobicContact CD2-CD2 3.94Å; F472-L480 HydrophobicContact CE2-CD2 3.81Å; F472-F497 AromaticContact CE2-CE1 3.82Å; F472-F497 HydrophobicContact CE2-CE1 3.82Å; F472-F497 AromaticContact CE2-CZ 3.99Å; F472-F497 HydrophobicContact CE2-CZ 3.99Å; F472-F497 AromaticContact CZ-CE1 3.93Å; F472-F497 HydrophobicContact CZ-CE1 3.93Å; F472-F497 AromaticContact CZ-CZ 3.68Å; F472-F497 HydrophobicContact CZ-CZ 3.68Å; F472-I530 HydrophobicContact CE1-CB 3.69Å; F472-I530 HydrophobicContact CE1-CG2 3.84Å; F472-I530 HydrophobicContact CZ-CB 3.75Å; F472-I530 HydrophobicContact CZ-CD1 4.17Å; F472-I530 HydrophobicContact CZ-CG2 3.61Å; F472-L532 HydrophobicContact CD1-CB 4.26Å; F472-L532 HydrophobicContact CD1-CD1 4.42Å; F472-L532 HydrophobicContact CE1-CB 3.91Å; F472-L532 HydrophobicContact CE1-CD1 4.04Å; F472-L532 HydrophobicContact CZ-CD1 4.23Å
473	S	96.8	Very high	96.2	Very high	37 Å²	37	17.9 Å²	17.9	26%	0.259	9%	0.086	S	C	.	.			trans	-67.2	159	169.3	76.5	0	0	0	0	110.7	K475 D476 T477	S473-K475 PolarHBondContact O-N 2.7Å; S473-K475 VanDerWaalsContact O-N 3.15Å; S473-D476 PolarHBondContact O-N 2.85Å; S473-D476 PolarHBondContact OG-N 3.08Å; S473-D476 PolarHBondContact OG-OD2 2.97Å; S473-T477 PolarHBondContact O-N 3.44Å; S473-T477 PolarHBondContact O-OG1 2.86Å
474	Y	96.4	Very high	96.3	Very high	30 Å²	30	18.2 Å²	18.2	12%	0.118	9%	0.087	C	C	.	.	H	α-helix	trans	-50.5	-43.2	175.7	-92.7	-135.5	0	0	0	112.6	D351 T354 Y357 L394 Y397 D476 T477 M478	D351-Y474 HydrophobicContact CB-CE2 4.29Å; D351-Y474 WeakPolarHBondContact CB-OH 3.39Å; D351-Y474 VanDerWaalsContact CG-OH 3.26Å; D351-Y474 VanDerWaalsContact OD2-CE2 3.28Å; D351-Y474 WeakPolarHBondContact OD2-CE2 3.28Å; D351-Y474 VanDerWaalsContact OD2-CZ 3.28Å; D351-Y474 PolarHBondContact OD2-OH 2.79Å; T354-Y474 HydrophobicContact CG2-CE1 4.16Å; Y357-Y474 WeakPolarHBondContact CE2-OH 3.39Å; L394-Y474 HydrophobicContact CD1-CD1 3.31Å; L394-Y474 HydrophobicContact CD1-CD2 4.27Å; L394-Y474 HydrophobicContact CD1-CE1 3.7Å; L394-Y474 HydrophobicContact CD1-CG 3.63Å; Y397-Y474 AromaticContact CD1-CD1 3.73Å; Y397-Y474 HydrophobicContact CD1-CD1 3.73Å; Y397-Y474 HydrophobicContact CD1-CE1 4.04Å; Y397-Y474 HydrophobicContact CD2-CD1 4.05Å; Y397-Y474 AromaticContact CD2-CE1 3.78Å; Y397-Y474 HydrophobicContact CD2-CE1 3.78Å; Y397-Y474 AromaticContact CE1-CD1 3.96Å; Y397-Y474 HydrophobicContact CE1-CD1 3.96Å; Y397-Y474 HydrophobicContact CE2-CD1 4.26Å; Y397-Y474 HydrophobicContact CE2-CE1 4.35Å; Y397-Y474 AromaticContact CG-CD1 3.78Å; Y397-Y474 HydrophobicContact CG-CD1 3.78Å; Y397-Y474 AromaticContact CG-CE1 3.61Å; Y397-Y474 HydrophobicContact CG-CE1 3.61Å; Y474-D476 VanDerWaalsContact C-N 3.32Å; Y474-D476 PolarHBondContact O-N 3.33Å; Y474-T477 PolarHBondContact O-N 2.87Å; Y474-M478 WeakPolarHBondContact O-CB 3.3Å; Y474-M478 WeakPolarHBondContact O-CE 3.42Å; Y474-M478 VanDerWaalsContact O-CG 3.23Å; Y474-M478 WeakPolarHBondContact O-CG 3.33Å; Y474-M478 PolarHBondContact O-N 3.3Å
475	K	96.7	Very high	96.5	Very high	144 Å²	144	18.4 Å²	18.4	63%	0.626	9%	0.088	S	C	*	.	H	α-helix	trans	-59.5	-45.2	178.3	-176.3	-174.4	173.3	-171	0	111.9	S473 T479	S473-K475 PolarHBondContact O-N 2.7Å; S473-K475 VanDerWaalsContact O-N 3.15Å; K475-T479 PolarHBondContact O-N 3.32Å; K475-T479 PolarHBondContact O-OG1 3.04Å
476	D	97.8	Very high	96.8	Very high	54 Å²	54	18.4 Å²	18.4	29%	0.289	9%	0.088	S	C	.	.	H	α-helix	trans	-73.6	-43.2	-177.4	-64.6	-30.6	0	0	0	110.8	F472 S473 Y474 M478 T479 L480 L532	F472-D476 HydrophobicContact CB-CB 3.86Å; F472-D476 HydrophobicContact CD1-CB 4.01Å; F472-D476 HydrophobicContact CG-CB 4.27Å; S473-D476 PolarHBondContact O-N 2.85Å; S473-D476 PolarHBondContact OG-N 3.08Å; S473-D476 PolarHBondContact OG-OD2 2.97Å; Y474-D476 VanDerWaalsContact C-N 3.32Å; Y474-D476 PolarHBondContact O-N 3.33Å; D476-M478 VanDerWaalsContact C-N 3.33Å; D476-M478 PolarHBondContact O-N 3.31Å; D476-T479 PolarHBondContact O-N 2.99Å; D476-T479 VanDerWaalsContact O-N 3.16Å; D476-L480 WeakPolarHBondContact O-CB 3.31Å; D476-L480 PolarHBondContact O-N 2.77Å; D476-L532 HydrophobicContact CB-CB 4.48Å; D476-L532 HydrophobicContact CB-CD2 3.66Å; D476-L532 WeakPolarHBondContact O-CD2 3.07Å
477	T	98.2	Very high	96.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.7	-42.2	175	-48.8	0	0	0	0	111.6	L394 K469 F472 S473 Y474 T479 L480 W481	L394-T477 HydrophobicContact CD2-CG2 3.43Å; L394-T477 VanDerWaalsContact CD2-CG2 3.43Å; K469-T477 HydrophobicContact CB-CG2 4.39Å; K469-T477 HydrophobicContact CD-CG2 3.92Å; F472-T477 WeakPolarHBondContact CB-OG1 3.47Å; S473-T477 PolarHBondContact O-N 3.44Å; S473-T477 PolarHBondContact O-OG1 2.86Å; Y474-T477 PolarHBondContact O-N 2.87Å; T477-T479 VanDerWaalsContact C-N 3.32Å; T477-T479 PolarHBondContact O-N 2.9Å; T477-L480 PolarHBondContact O-N 2.83Å; T477-W481 HydrophobicContact CG2-CD2 3.96Å; T477-W481 HydrophobicContact CG2-CG 4.2Å; T477-W481 HydrophobicContact CG2-CZ2 3.95Å; T477-W481 WeakPolarHBondContact O-CB 3.2Å; T477-W481 PolarHBondContact O-N 3.12Å
478	M	98.2	Very high	96.8	Very high	13 Å²	13	22.8 Å²	22.8	6%	0.064	11%	0.108	C	C	.	.	H	α-helix	trans	-57.2	-46.6	175.2	-76	-175.3	-75.8	0	0	111.4	K284 W288 L394 Y397 V398 Y474 D476 W481 E482	K284-M478 HydrophobicContact CD-CB 4.46Å; K284-M478 HydrophobicContact CD-SD 3.71Å; W288-M478 HydrophobicContact CH2-CB 4.37Å; W288-M478 HydrophobicContact CH2-CG 3.79Å; W288-M478 HydrophobicContact CZ2-CB 3.91Å; W288-M478 HydrophobicContact CZ2-CG 3.73Å; L394-M478 HydrophobicContact CD1-CG 3.93Å; L394-M478 HydrophobicContact CD2-CG 4.02Å; L394-M478 HydrophobicContact CG-CG 4.12Å; Y397-M478 HydrophobicContact CE1-CE 4.47Å; V398-M478 HydrophobicContact CG2-CG 4.07Å; V398-M478 HydrophobicContact CG2-SD 3.37Å; V398-M478 WeakPolarHBondContact CG2-SD 3.35Å; Y474-M478 WeakPolarHBondContact O-CB 3.3Å; Y474-M478 WeakPolarHBondContact O-CE 3.42Å; Y474-M478 VanDerWaalsContact O-CG 3.23Å; Y474-M478 WeakPolarHBondContact O-CG 3.33Å; Y474-M478 PolarHBondContact O-N 3.3Å; D476-M478 VanDerWaalsContact C-N 3.33Å; D476-M478 PolarHBondContact O-N 3.31Å; M478-W481 PolarHBondContact O-N 3.46Å; M478-E482 WeakPolarHBondContact O-CB 3.21Å; M478-E482 VanDerWaalsContact O-CD 3.27Å; M478-E482 WeakPolarHBondContact O-CG 3.4Å; M478-E482 PolarHBondContact O-N 3.24Å
479	T	98.1	Very high	96.6	Very high	22 Å²	22	27.8 Å²	27.8	14%	0.135	13%	0.127	C	C	.	.	H	α-helix	trans	-66.5	-40.1	-179.5	-53.4	0	0	0	0	111.5	K475 D476 T477 A483 L532	K475-T479 PolarHBondContact O-N 3.32Å; K475-T479 PolarHBondContact O-OG1 3.04Å; D476-T479 PolarHBondContact O-N 2.99Å; D476-T479 VanDerWaalsContact O-N 3.16Å; T477-T479 VanDerWaalsContact C-N 3.32Å; T477-T479 PolarHBondContact O-N 2.9Å; T479-A483 PolarHBondContact O-N 3.15Å; T479-L532 HydrophobicContact CG2-CD2 4.3Å
480	L	98.4	Very high	96.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-46.9	177.1	-177.5	60.6	0	0	0	112	F468 F472 D476 T477 E482 A483 F484 F497 L532 I536	F468-L480 HydrophobicContact CB-CD2 3.85Å; F468-L480 HydrophobicContact CD2-CD2 4.29Å; F468-L480 HydrophobicContact CG-CD2 4.26Å; F472-L480 HydrophobicContact CD2-CD2 3.94Å; F472-L480 HydrophobicContact CE2-CD2 3.81Å; D476-L480 WeakPolarHBondContact O-CB 3.31Å; D476-L480 PolarHBondContact O-N 2.77Å; T477-L480 PolarHBondContact O-N 2.83Å; L480-E482 VanDerWaalsContact C-N 3.33Å; L480-E482 PolarHBondContact O-N 3.39Å; L480-A483 WeakPolarHBondContact O-CB 3.16Å; L480-A483 PolarHBondContact O-N 3.12Å; L480-F484 HydrophobicContact CD1-CD1 4.29Å; L480-F484 HydrophobicContact CD1-CE1 3.58Å; L480-F484 HydrophobicContact CD1-CE2 4.15Å; L480-F484 HydrophobicContact CD1-CZ 3.5Å; L480-F484 VanDerWaalsContact CD1-CZ 3.5Å; L480-F484 HydrophobicContact CD2-CE2 4.1Å; L480-F484 HydrophobicContact CD2-CZ 4.06Å; L480-F484 HydrophobicContact CG-CD2 4.37Å; L480-F484 HydrophobicContact CG-CE1 4.14Å; L480-F484 HydrophobicContact CG-CE2 3.83Å; L480-F484 HydrophobicContact CG-CZ 3.71Å; L480-F484 PolarHBondContact O-N 2.93Å; L480-F497 HydrophobicContact CD1-CD1 4.01Å; L480-F497 HydrophobicContact CD1-CD2 3.98Å; L480-F497 HydrophobicContact CD1-CE1 3.74Å; L480-F497 HydrophobicContact CD1-CE2 3.73Å; L480-F497 HydrophobicContact CD1-CG 4.11Å; L480-F497 HydrophobicContact CD1-CZ 3.59Å; L480-F497 HydrophobicContact CD2-CD1 4.31Å; L480-F497 HydrophobicContact CD2-CE1 3.67Å; L480-F497 HydrophobicContact CD2-CZ 4.04Å; L480-F497 HydrophobicContact CG-CE1 4.38Å; L480-F497 HydrophobicContact CG-CZ 4.47Å; L480-L532 HydrophobicContact CB-CD1 4.01Å; L480-L532 HydrophobicContact CD1-CD1 4.11Å; L480-L532 HydrophobicContact CG-CD1 4.46Å; L480-I536 HydrophobicContact CD1-CD1 4.23Å; L480-I536 HydrophobicContact CD1-CG1 4.34Å
481	W	98.2	Very high	96.5	Very high	2 Å²	2	28 Å²	28	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-65.4	-37.9	179.8	-75.4	9.6	0	0	0	112.1	W288 L391 L394 I395 H467 K469 T477 M478 A483 F484 W485	W288-W481 HydrophobicContact CH2-CE3 4.3Å; L391-W481 HydrophobicContact CD2-CH2 4.01Å; L391-W481 HydrophobicContact CD2-CZ2 3.77Å; L391-W481 WeakPolarHBondContact O-CH2 3.32Å; L394-W481 HydrophobicContact CB-CH2 3.93Å; L394-W481 HydrophobicContact CB-CZ3 3.71Å; L394-W481 HydrophobicContact CD2-CD2 4.15Å; L394-W481 HydrophobicContact CD2-CE3 3.72Å; L394-W481 HydrophobicContact CD2-CH2 4.07Å; L394-W481 HydrophobicContact CD2-CZ2 4.47Å; L394-W481 HydrophobicContact CD2-CZ3 3.71Å; L394-W481 HydrophobicContact CG-CE3 4.44Å; L394-W481 HydrophobicContact CG-CZ3 4.1Å; I395-W481 HydrophobicContact CG1-CZ3 4.38Å; H467-W481 PolarHBondContact O-NE1 2.83Å; K469-W481 HydrophobicContact CB-CZ2 4.04Å; K469-W481 HydrophobicContact CD-CZ2 4.44Å; T477-W481 HydrophobicContact CG2-CD2 3.96Å; T477-W481 HydrophobicContact CG2-CG 4.2Å; T477-W481 HydrophobicContact CG2-CZ2 3.95Å; T477-W481 WeakPolarHBondContact O-CB 3.2Å; T477-W481 PolarHBondContact O-N 3.12Å; M478-W481 PolarHBondContact O-N 3.46Å; W481-A483 VanDerWaalsContact C-N 3.29Å; W481-A483 PolarHBondContact O-N 2.98Å; W481-F484 PolarHBondContact O-N 3.3Å; W481-F484 VanDerWaalsContact O-N 3.13Å; W481-W485 HydrophobicContact CB-CD2 4.23Å; W481-W485 HydrophobicContact CB-CE3 4.41Å; W481-W485 HydrophobicContact CB-CH2 3.99Å; W481-W485 HydrophobicContact CB-CZ2 3.74Å; W481-W485 HydrophobicContact CB-CZ3 4.3Å; W481-W485 HydrophobicContact CD2-CH2 4.28Å; W481-W485 AromaticContact CD2-CZ2 3.8Å; W481-W485 HydrophobicContact CD2-CZ2 3.8Å; W481-W485 AromaticContact CE3-CH2 3.48Å; W481-W485 HydrophobicContact CE3-CH2 3.48Å; W481-W485 VanDerWaalsContact CE3-CH2 3.48Å; W481-W485 AromaticContact CE3-CZ2 3.28Å; W481-W485 HydrophobicContact CE3-CZ2 3.28Å; W481-W485 HydrophobicContact CG-CZ2 4.05Å; W481-W485 HydrophobicContact CZ3-CH2 4.27Å; W481-W485 HydrophobicContact CZ3-CZ2 4.06Å; W481-W485 WeakPolarHBondContact O-CB 3.44Å; W481-W485 VanDerWaalsContact O-CD2 3.27Å; W481-W485 PolarHBondContact O-N 3.01Å
482	E	98.2	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-55.9	-44.9	171.7	-76.3	162.8	-177.6	0	0	111.5	I274 I279 K284 W288 M478 L480 T486	I274-E482 HydrophobicContact CG2-CB 3.94Å; I279-E482 HydrophobicContact CD1-CB 4.42Å; I279-E482 HydrophobicContact CD1-CG 3.68Å; I279-E482 HydrophobicContact CG1-CG 4.01Å; I279-E482 PolarHBondContact N-OE2 3.4Å; K284-E482 WeakPolarHBondContact CD-OE1 3.45Å; K284-E482 WeakPolarHBondContact CG-OE1 3.36Å; K284-E482 IonicContact NZ-OE1 3.04Å; K284-E482 PolarHBondContact NZ-OE1 3.17Å; K284-E482 IonicContact NZ-OE2 3.45Å; K284-E482 PolarHBondContact NZ-OE2 3.48Å; W288-E482 HydrophobicContact CZ2-CG 4.48Å; W288-E482 PolarHBondContact NE1-OE1 3.44Å; M478-E482 WeakPolarHBondContact O-CB 3.21Å; M478-E482 VanDerWaalsContact O-CD 3.27Å; M478-E482 WeakPolarHBondContact O-CG 3.4Å; M478-E482 PolarHBondContact O-N 3.24Å; L480-E482 VanDerWaalsContact C-N 3.33Å; L480-E482 PolarHBondContact O-N 3.39Å; E482-T486 WeakPolarHBondContact O-CG2 3.21Å; E482-T486 PolarHBondContact O-N 2.9Å
483	A	97.4	Very high	96.5	Very high	3 Å²	3	27.7 Å²	27.7	3%	0.025	13%	0.128	C	C	.	.	H	α-helix	trans	-63.1	-44.6	174.4	0	0	0	0	0	111.9	F275 T479 L480 W481 W485 T486	F275-A483 HydrophobicContact CD2-CB 4.15Å; T479-A483 PolarHBondContact O-N 3.15Å; L480-A483 WeakPolarHBondContact O-CB 3.16Å; L480-A483 PolarHBondContact O-N 3.12Å; W481-A483 VanDerWaalsContact C-N 3.29Å; W481-A483 PolarHBondContact O-N 2.98Å; A483-W485 PolarHBondContact O-N 3.43Å; A483-T486 PolarHBondContact O-N 2.66Å; A483-T486 PolarHBondContact O-OG1 3.32Å
484	F	97.2	Very high	96.5	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.035	12%	0.117	C	C	.	.	H	α-helix	trans	-62.7	-40.9	179	-68.9	-7.2	0	0	0	113.1	R415 H467 F468 L480 W481 T486 D487 F493 H494 F497	R415-F484 PolarHBondContact NH2-O 2.92Å; H467-F484 HydrophobicContact CB-CD2 4.38Å; H467-F484 HydrophobicContact CB-CE2 4.36Å; H467-F484 AromaticContact ND1-CD2 3.71Å; F468-F484 HydrophobicContact CD2-CE2 4.02Å; F468-F484 HydrophobicContact CD2-CZ 4.15Å; F468-F484 HydrophobicContact CE2-CE2 4.32Å; F468-F484 HydrophobicContact CE2-CZ 4.15Å; L480-F484 HydrophobicContact CD1-CD1 4.29Å; L480-F484 HydrophobicContact CD1-CE1 3.58Å; L480-F484 HydrophobicContact CD1-CE2 4.15Å; L480-F484 HydrophobicContact CD1-CZ 3.5Å; L480-F484 VanDerWaalsContact CD1-CZ 3.5Å; L480-F484 HydrophobicContact CD2-CE2 4.1Å; L480-F484 HydrophobicContact CD2-CZ 4.06Å; L480-F484 HydrophobicContact CG-CD2 4.37Å; L480-F484 HydrophobicContact CG-CE1 4.14Å; L480-F484 HydrophobicContact CG-CE2 3.83Å; L480-F484 HydrophobicContact CG-CZ 3.71Å; L480-F484 PolarHBondContact O-N 2.93Å; W481-F484 PolarHBondContact O-N 3.3Å; W481-F484 VanDerWaalsContact O-N 3.13Å; F484-T486 VanDerWaalsContact C-N 3.29Å; F484-T486 PolarHBondContact O-N 2.75Å; F484-D487 PolarHBondContact O-N 2.88Å; F484-F493 AromaticContact CD1-CD1 3.8Å; F484-F493 HydrophobicContact CD1-CD1 3.8Å; F484-F493 AromaticContact CE1-CD1 3.78Å; F484-F493 HydrophobicContact CE1-CD1 3.78Å; F484-F493 HydrophobicContact CE1-CE1 4.39Å; F484-H494 HydrophobicContact CD1-CB 4.45Å; F484-H494 HydrophobicContact CD2-CB 4.25Å; F484-H494 HydrophobicContact CE1-CB 4.03Å; F484-H494 HydrophobicContact CE2-CB 3.81Å; F484-H494 HydrophobicContact CZ-CB 3.68Å; F484-F497 HydrophobicContact CE1-CB 4.09Å; F484-F497 HydrophobicContact CE1-CG 4.29Å; F484-F497 HydrophobicContact CZ-CB 4.13Å; F484-F497 AromaticContact CZ-CD1 3.99Å; F484-F497 HydrophobicContact CZ-CD1 3.99Å; F484-F497 HydrophobicContact CZ-CG 4.14Å
485	W	96.8	Very high	96.5	Very high	3 Å²	3	24.7 Å²	24.7	1%	0.011	11%	0.111	C	C	.	.	H	α-helix	trans	-78.6	-12.9	-175.3	-57.5	-26.6	0	0	0	114.1	W288 L291 L292 L412 R415 W481 A483 D487	W288-W485 HydrophobicContact CD2-CH2 4.11Å; W288-W485 AromaticContact CD2-CZ3 3.54Å; W288-W485 HydrophobicContact CD2-CZ3 3.54Å; W288-W485 AromaticContact CE2-CZ3 3.66Å; W288-W485 AromaticContact CE3-CH2 3.79Å; W288-W485 HydrophobicContact CE3-CH2 3.79Å; W288-W485 AromaticContact CE3-CZ3 3.71Å; W288-W485 HydrophobicContact CE3-CZ3 3.71Å; W288-W485 AromaticContact CG-CZ3 3.97Å; W288-W485 HydrophobicContact CG-CZ3 3.97Å; W288-W485 AromaticContact CH2-CH2 3.86Å; W288-W485 HydrophobicContact CH2-CH2 3.86Å; W288-W485 HydrophobicContact CH2-CZ3 4.05Å; W288-W485 HydrophobicContact CZ2-CH2 4.19Å; W288-W485 AromaticContact CZ2-CZ3 3.92Å; W288-W485 HydrophobicContact CZ2-CZ3 3.92Å; W288-W485 AromaticContact CZ3-CH2 3.67Å; W288-W485 HydrophobicContact CZ3-CH2 3.67Å; W288-W485 AromaticContact CZ3-CZ3 3.97Å; W288-W485 HydrophobicContact CZ3-CZ3 3.97Å; L291-W485 HydrophobicContact CB-CB 4.01Å; L291-W485 HydrophobicContact CB-CE3 4.28Å; L291-W485 HydrophobicContact CD1-CE3 4.38Å; L292-W485 HydrophobicContact CD1-CH2 3.98Å; L292-W485 HydrophobicContact CD1-CZ2 4.45Å; L292-W485 HydrophobicContact CD1-CZ3 4.08Å; L292-W485 HydrophobicContact CD2-CD2 3.77Å; L292-W485 HydrophobicContact CD2-CE3 4.08Å; L292-W485 HydrophobicContact CD2-CG 4.25Å; L292-W485 HydrophobicContact CD2-CH2 4.08Å; L292-W485 HydrophobicContact CD2-CZ2 3.79Å; L292-W485 HydrophobicContact CD2-CZ3 4.23Å; L292-W485 HydrophobicContact CG-CD2 4.36Å; L292-W485 HydrophobicContact CG-CE3 4.18Å; L292-W485 HydrophobicContact CG-CH2 4.31Å; L292-W485 HydrophobicContact CG-CZ3 4.16Å; L412-W485 HydrophobicContact CD1-CZ2 4.11Å; R415-W485 PolarHBondContact NH1-O 2.94Å; W481-W485 HydrophobicContact CB-CD2 4.23Å; W481-W485 HydrophobicContact CB-CE3 4.41Å; W481-W485 HydrophobicContact CB-CH2 3.99Å; W481-W485 HydrophobicContact CB-CZ2 3.74Å; W481-W485 HydrophobicContact CB-CZ3 4.3Å; W481-W485 HydrophobicContact CD2-CH2 4.28Å; W481-W485 AromaticContact CD2-CZ2 3.8Å; W481-W485 HydrophobicContact CD2-CZ2 3.8Å; W481-W485 AromaticContact CE3-CH2 3.48Å; W481-W485 HydrophobicContact CE3-CH2 3.48Å; W481-W485 VanDerWaalsContact CE3-CH2 3.48Å; W481-W485 AromaticContact CE3-CZ2 3.28Å; W481-W485 HydrophobicContact CE3-CZ2 3.28Å; W481-W485 HydrophobicContact CG-CZ2 4.05Å; W481-W485 HydrophobicContact CZ3-CH2 4.27Å; W481-W485 HydrophobicContact CZ3-CZ2 4.06Å; W481-W485 WeakPolarHBondContact O-CB 3.44Å; W481-W485 VanDerWaalsContact O-CD2 3.27Å; W481-W485 PolarHBondContact O-N 3.01Å; A483-W485 PolarHBondContact O-N 3.43Å; W485-D487 PolarHBondContact O-N 2.99Å
486	T	95.9	Very high	96.6	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-26.5	174.9	62.7	0	0	0	0	112.6	R271 I274 F275 L291 E482 A483 F484 Y488	R271-T486 HydrophobicContact CB-CG2 4.46Å; R271-T486 WeakPolarHBondContact CD-O 3.24Å; R271-T486 WeakPolarHBondContact CG-O 3.26Å; R271-T486 PolarHBondContact NE-O 3.33Å; R271-T486 WeakPolarHBondContact O-CG2 3.44Å; I274-T486 HydrophobicContact CB-CG2 3.68Å; I274-T486 HydrophobicContact CG2-CG2 3.44Å; I274-T486 VanDerWaalsContact CG2-CG2 3.44Å; F275-T486 HydrophobicContact CB-CG2 4.23Å; L291-T486 HydrophobicContact CD2-CG2 4.3Å; E482-T486 WeakPolarHBondContact O-CG2 3.21Å; E482-T486 PolarHBondContact O-N 2.9Å; A483-T486 PolarHBondContact O-N 2.66Å; A483-T486 PolarHBondContact O-OG1 3.32Å; F484-T486 VanDerWaalsContact C-N 3.29Å; F484-T486 PolarHBondContact O-N 2.75Å; T486-Y488 PolarHBondContact O-N 3.05Å; T486-Y488 WeakPolarHBondContact OG1-CB 3.26Å; T486-Y488 PolarHBondContact OG1-N 3.01Å
487	D	94.2	Very high	96.6	Very high	44 Å²	44	15.2 Å²	15.2	24%	0.235	7%	0.068	C	C	.	.			trans	49.7	27	-168.9	-59.8	-46.5	0	0	0	112.2	R415 F484 W485 R489 K491	R415-D487 IonicContact CZ-OD1 3.95Å; R415-D487 IonicContact CZ-OD2 2.93Å; R415-D487 IonicContact NH1-OD1 3.01Å; R415-D487 IonicContact NH1-OD2 2.78Å; R415-D487 PolarHBondContact NH1-OD2 3.46Å; R415-D487 IonicContact NH2-OD1 2.79Å; R415-D487 PolarHBondContact NH2-OD1 3.27Å; R415-D487 IonicContact NH2-OD2 2.7Å; R415-D487 PolarHBondContact NH2-OD2 2.82Å; F484-D487 PolarHBondContact O-N 2.88Å; W485-D487 PolarHBondContact O-N 2.99Å; D487-R489 PolarHBondContact O-N 2.92Å; D487-K491 HydrophobicContact CB-CG 4.28Å
488	Y	93.7	Very high	96.6	Very high	50 Å²	50	15.2 Å²	15.2	20%	0.196	7%	0.068	C	C	.	.			trans	-71.7	127.9	-179.6	-174.7	-114.6	0	0	0	108.9	E272 F275 T486 T490	E272-Y488 HydrophobicContact CB-CD2 4.06Å; E272-Y488 HydrophobicContact CB-CE1 4.13Å; E272-Y488 HydrophobicContact CB-CE2 3.61Å; E272-Y488 HydrophobicContact CG-CE1 3.85Å; E272-Y488 HydrophobicContact CG-CE2 4.05Å; E272-Y488 WeakPolarHBondContact CG-OH 3.45Å; E272-Y488 PolarHBondContact OE1-OH 2.85Å; F275-Y488 HydrophobicContact CB-CD1 3.86Å; F275-Y488 HydrophobicContact CB-CG 4.15Å; F275-Y488 AromaticContact CD1-CD1 3.54Å; F275-Y488 HydrophobicContact CD1-CD1 3.54Å; F275-Y488 HydrophobicContact CD1-CE1 4.2Å; F275-Y488 HydrophobicContact CD2-CD1 4.38Å; F275-Y488 HydrophobicContact CE1-CD1 4.14Å; F275-Y488 AromaticContact CG-CD1 3.67Å; F275-Y488 HydrophobicContact CG-CD1 3.67Å; F275-Y488 HydrophobicContact CG-CG 4.25Å; T486-Y488 PolarHBondContact O-N 3.05Å; T486-Y488 WeakPolarHBondContact OG1-CB 3.26Å; T486-Y488 PolarHBondContact OG1-N 3.01Å; Y488-T490 PolarHBondContact O-N 2.66Å
489	R	91.5	Very high	96.6	Very high	104 Å²	104	14.6 Å²	14.6	39%	0.392	7%	0.065	S	C	.	.	S	Bend	trans	69.8	-46.6	-177.3	-60.1	-82	-66	-79.6	-19.7	115.5	D487 L543 E547	D487-R489 PolarHBondContact O-N 2.92Å; R489-L543 HydrophobicContact CB-CD2 3.8Å; R489-E547 IonicContact CZ-OE1 2.84Å; R489-E547 VanDerWaalsContact CZ-OE1 3.26Å; R489-E547 IonicContact CZ-OE2 3.64Å; R489-E547 IonicContact NE-OE1 3.49Å; R489-E547 PolarHBondContact NE-OE1 3.25Å; R489-E547 IonicContact NE-OE2 3.66Å; R489-E547 PolarHBondContact NE-OE2 3.18Å; R489-E547 IonicContact NH2-OE1 3.99Å; R489-E547 PolarHBondContact NH2-OE1 3.4Å; R489-E547 IonicContact NH2-OE2 3.52Å; R489-E547 PolarHBondContact NH2-OE2 2.99Å
490	T	94.8	Very high	96.6	Very high	6 Å²	6	13.8 Å²	13.8	4%	0.037	6%	0.06	C	C	.	.			trans	-148.3	147.4	177.2	-177.1	0	0	0	0	111.3	Y488 N492 F493 F496 L543 I560 I561	Y488-T490 PolarHBondContact O-N 2.66Å; T490-N492 VanDerWaalsContact C-N 3.29Å; T490-N492 PolarHBondContact OG1-N 3.43Å; T490-F493 HydrophobicContact CG2-CB 3.95Å; T490-F493 HydrophobicContact CG2-CD2 4.27Å; T490-F496 HydrophobicContact CG2-CD2 4.12Å; T490-F496 HydrophobicContact CG2-CE2 4.07Å; T490-L543 HydrophobicContact CG2-CD1 4.12Å; T490-L543 HydrophobicContact CG2-CD2 3.57Å; T490-I560 PolarHBondContact OG1-O 3.36Å; T490-I561 VanDerWaalsContact CB-O 3.25Å; T490-I561 WeakPolarHBondContact CB-O 3.4Å; T490-I561 PolarHBondContact OG1-O 2.86Å
491	K	94.2	Very high	96.6	Very high	56 Å²	56	13.8 Å²	13.8	24%	0.243	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-17	172.4	-58.6	-171.5	179.2	-165.8	0	112.5	D487	D487-K491 HydrophobicContact CB-CG 4.28Å
492	N	95.6	Very high	96.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	27.2	-176.6	-66.3	-53.7	0	0	0	113	T490 H494 I495 F496 I560 Q564 S565	T490-N492 VanDerWaalsContact C-N 3.29Å; T490-N492 PolarHBondContact OG1-N 3.43Å; N492-H494 PolarHBondContact O-N 2.78Å; N492-H494 VanDerWaalsContact O-N 3.1Å; N492-I495 HydrophobicContact CB-CG1 4.14Å; N492-I495 WeakPolarHBondContact O-CB 3.44Å; N492-I495 PolarHBondContact O-N 3.33Å; N492-F496 WeakPolarHBondContact O-CD2 3.46Å; N492-I560 HydrophobicContact CB-CG2 4.12Å; N492-I560 WeakPolarHBondContact CB-O 3.49Å; N492-I560 PolarHBondContact ND2-O 3.29Å; N492-Q564 PolarHBondContact ND2-O 3.37Å; N492-S565 WeakPolarHBondContact OD1-CA 3.3Å; N492-S565 WeakPolarHBondContact OD1-CB 3.21Å; N492-S565 PolarHBondContact OD1-OG 3.38Å
493	F	97.4	Very high	96.6	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.018	7%	0.071	C	C	.	.	H	α-helix	trans	-59.4	-28.7	-174.7	-170.2	-111.4	0	0	0	113.1	F275 F484 T490 I495 F496 F497 A539 L543	F275-F493 AromaticContact CE2-CD1 3.78Å; F275-F493 HydrophobicContact CE2-CD1 3.78Å; F275-F493 AromaticContact CE2-CD2 3.93Å; F275-F493 HydrophobicContact CE2-CD2 3.93Å; F275-F493 AromaticContact CE2-CE1 3.72Å; F275-F493 HydrophobicContact CE2-CE1 3.72Å; F275-F493 AromaticContact CE2-CE2 3.88Å; F275-F493 HydrophobicContact CE2-CE2 3.88Å; F275-F493 AromaticContact CE2-CG 3.89Å; F275-F493 HydrophobicContact CE2-CG 3.89Å; F275-F493 AromaticContact CE2-CZ 3.77Å; F275-F493 HydrophobicContact CE2-CZ 3.77Å; F275-F493 HydrophobicContact CZ-CD1 4.43Å; F275-F493 HydrophobicContact CZ-CD2 4.02Å; F275-F493 HydrophobicContact CZ-CE1 4.04Å; F275-F493 AromaticContact CZ-CE2 3.59Å; F275-F493 HydrophobicContact CZ-CE2 3.59Å; F275-F493 HydrophobicContact CZ-CG 4.43Å; F275-F493 AromaticContact CZ-CZ 3.6Å; F275-F493 HydrophobicContact CZ-CZ 3.6Å; F484-F493 AromaticContact CD1-CD1 3.8Å; F484-F493 HydrophobicContact CD1-CD1 3.8Å; F484-F493 AromaticContact CE1-CD1 3.78Å; F484-F493 HydrophobicContact CE1-CD1 3.78Å; F484-F493 HydrophobicContact CE1-CE1 4.39Å; T490-F493 HydrophobicContact CG2-CB 3.95Å; T490-F493 HydrophobicContact CG2-CD2 4.27Å; F493-I495 PolarHBondContact O-N 3.36Å; F493-F496 HydrophobicContact CD2-CB 4.41Å; F493-F496 PolarHBondContact O-N 2.89Å; F493-F497 WeakPolarHBondContact O-CB 3.43Å; F493-F497 PolarHBondContact O-N 2.57Å; F493-A539 HydrophobicContact CE2-CB 3.93Å; F493-A539 HydrophobicContact CZ-CB 3.7Å; F493-L543 HydrophobicContact CD2-CD2 4.33Å
494	H	96.8	Very high	96.6	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.019	9%	0.085	C	C	.	.	H	α-helix	trans	-60.4	-29.9	173.6	57.6	-80.5	0	0	0	113.4	Q430 F484 N492 F497 A498 S565	Q430-H494 PolarHBondContact OE1-NE2 3.42Å; F484-H494 HydrophobicContact CD1-CB 4.45Å; F484-H494 HydrophobicContact CD2-CB 4.25Å; F484-H494 HydrophobicContact CE1-CB 4.03Å; F484-H494 HydrophobicContact CE2-CB 3.81Å; F484-H494 HydrophobicContact CZ-CB 3.68Å; N492-H494 PolarHBondContact O-N 2.78Å; N492-H494 VanDerWaalsContact O-N 3.1Å; H494-F497 PolarHBondContact O-N 3.44Å; H494-A498 WeakPolarHBondContact O-CB 3.41Å; H494-A498 PolarHBondContact O-N 2.99Å; H494-S565 PolarHBondContact CE1-OG 2.91Å
495	I	97.4	Very high	96.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-71.7	-44.2	175	-53.2	-58.1	0	0	0	110.6	Q430 Q433 L434 L437 L464 N492 F493 F497 A498 A499 I560	Q430-I495 HydrophobicContact CB-CD1 3.82Å; Q430-I495 HydrophobicContact CG-CD1 4.01Å; Q433-I495 HydrophobicContact CB-CG2 4.33Å; L434-I495 HydrophobicContact CB-CG2 4.14Å; L434-I495 HydrophobicContact CD1-CG2 4.39Å; L437-I495 HydrophobicContact CD2-CG2 4.27Å; L464-I495 HydrophobicContact CD1-CD1 4.2Å; L464-I495 HydrophobicContact CD2-CD1 4.38Å; N492-I495 HydrophobicContact CB-CG1 4.14Å; N492-I495 WeakPolarHBondContact O-CB 3.44Å; N492-I495 PolarHBondContact O-N 3.33Å; F493-I495 PolarHBondContact O-N 3.36Å; I495-F497 VanDerWaalsContact C-N 3.27Å; I495-F497 PolarHBondContact O-N 3.04Å; I495-A498 PolarHBondContact O-N 3.24Å; I495-A499 WeakPolarHBondContact O-CB 3.21Å; I495-A499 PolarHBondContact O-N 2.85Å; I495-I560 HydrophobicContact CB-CG2 4.5Å; I495-I560 HydrophobicContact CG2-CG2 4.35Å
496	F	98.1	Very high	96.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.3	-36.9	173.9	-66.9	-87.7	0	0	0	111.7	L437 T490 N492 F493 A499 A500 A539 L542 L543 L546 I560 I561	L437-F496 HydrophobicContact CD1-CD1 4.37Å; L437-F496 HydrophobicContact CD1-CE1 3.86Å; L437-F496 HydrophobicContact CD2-CD1 3.73Å; L437-F496 HydrophobicContact CD2-CE1 3.93Å; L437-F496 HydrophobicContact CD2-CG 4.2Å; T490-F496 HydrophobicContact CG2-CD2 4.12Å; T490-F496 HydrophobicContact CG2-CE2 4.07Å; N492-F496 WeakPolarHBondContact O-CD2 3.46Å; F493-F496 HydrophobicContact CD2-CB 4.41Å; F493-F496 PolarHBondContact O-N 2.89Å; F496-A499 PolarHBondContact O-N 3.25Å; F496-A500 WeakPolarHBondContact O-CB 3.26Å; F496-A500 PolarHBondContact O-N 3.48Å; F496-A539 HydrophobicContact CB-CB 4.27Å; F496-L542 HydrophobicContact CD1-CD2 4.32Å; F496-L542 HydrophobicContact CD1-CG 4.32Å; F496-L543 HydrophobicContact CD1-CB 4.07Å; F496-L543 HydrophobicContact CD1-CD1 4.46Å; F496-L543 HydrophobicContact CD2-CD1 4.45Å; F496-L543 HydrophobicContact CE1-CB 4.26Å; F496-L543 HydrophobicContact CE1-CD1 3.95Å; F496-L543 HydrophobicContact CE2-CD1 3.94Å; F496-L543 HydrophobicContact CG-CB 4.38Å; F496-L543 HydrophobicContact CZ-CD1 3.68Å; F496-L546 HydrophobicContact CE1-CD1 4.05Å; F496-I560 HydrophobicContact CE2-CG2 3.77Å; F496-I560 HydrophobicContact CZ-CG2 3.95Å; F496-I561 HydrophobicContact CE1-CG1 4.46Å; F496-I561 HydrophobicContact CZ-CG1 3.74Å
497	F	98.4	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65	-45.2	175.3	-170.6	-103.1	0	0	0	112.1	F468 F472 L480 F484 F493 H494 I495 A499 A500 I501 L532 S535 I536 A539	F468-F497 HydrophobicContact CD1-CD1 4.29Å; F468-F497 HydrophobicContact CD1-CE1 4.1Å; F468-F497 HydrophobicContact CD2-CD1 4.11Å; F468-F497 HydrophobicContact CD2-CE1 4.35Å; F468-F497 AromaticContact CE1-CD1 3.94Å; F468-F497 HydrophobicContact CE1-CD1 3.94Å; F468-F497 HydrophobicContact CE1-CE1 4.14Å; F468-F497 AromaticContact CE2-CD1 3.8Å; F468-F497 HydrophobicContact CE2-CD1 3.8Å; F468-F497 HydrophobicContact CE2-CE1 4.44Å; F468-F497 HydrophobicContact CG-CD1 4.36Å; F468-F497 HydrophobicContact CG-CE1 4.2Å; F468-F497 AromaticContact CZ-CD1 3.7Å; F468-F497 HydrophobicContact CZ-CD1 3.7Å; F468-F497 HydrophobicContact CZ-CE1 4.32Å; F472-F497 AromaticContact CE2-CE1 3.82Å; F472-F497 HydrophobicContact CE2-CE1 3.82Å; F472-F497 AromaticContact CE2-CZ 3.99Å; F472-F497 HydrophobicContact CE2-CZ 3.99Å; F472-F497 AromaticContact CZ-CE1 3.93Å; F472-F497 HydrophobicContact CZ-CE1 3.93Å; F472-F497 AromaticContact CZ-CZ 3.68Å; F472-F497 HydrophobicContact CZ-CZ 3.68Å; L480-F497 HydrophobicContact CD1-CD1 4.01Å; L480-F497 HydrophobicContact CD1-CD2 3.98Å; L480-F497 HydrophobicContact CD1-CE1 3.74Å; L480-F497 HydrophobicContact CD1-CE2 3.73Å; L480-F497 HydrophobicContact CD1-CG 4.11Å; L480-F497 HydrophobicContact CD1-CZ 3.59Å; L480-F497 HydrophobicContact CD2-CD1 4.31Å; L480-F497 HydrophobicContact CD2-CE1 3.67Å; L480-F497 HydrophobicContact CD2-CZ 4.04Å; L480-F497 HydrophobicContact CG-CE1 4.38Å; L480-F497 HydrophobicContact CG-CZ 4.47Å; F484-F497 HydrophobicContact CE1-CB 4.09Å; F484-F497 HydrophobicContact CE1-CG 4.29Å; F484-F497 HydrophobicContact CZ-CB 4.13Å; F484-F497 AromaticContact CZ-CD1 3.99Å; F484-F497 HydrophobicContact CZ-CD1 3.99Å; F484-F497 HydrophobicContact CZ-CG 4.14Å; F493-F497 WeakPolarHBondContact O-CB 3.43Å; F493-F497 PolarHBondContact O-N 2.57Å; H494-F497 PolarHBondContact O-N 3.44Å; I495-F497 VanDerWaalsContact C-N 3.27Å; I495-F497 PolarHBondContact O-N 3.04Å; F497-A499 VanDerWaalsContact C-N 3.34Å; F497-A499 PolarHBondContact O-N 3.41Å; F497-A500 PolarHBondContact O-N 3.45Å; F497-I501 HydrophobicContact CD1-CD1 3.81Å; F497-I501 HydrophobicContact CE1-CD1 3.48Å; F497-I501 VanDerWaalsContact CE1-CD1 3.48Å; F497-I501 HydrophobicContact CE1-CG1 4.47Å; F497-I501 HydrophobicContact CZ-CD1 4.01Å; F497-I501 WeakPolarHBondContact O-CG1 3.29Å; F497-I501 PolarHBondContact O-N 3.4Å; F497-I501 VanDerWaalsContact O-N 3.14Å; F497-L532 HydrophobicContact CE2-CD1 4.33Å; F497-L532 HydrophobicContact CZ-CD1 4.01Å; F497-S535 VanDerWaalsContact CE2-CB 3.47Å; F497-I536 HydrophobicContact CD2-CG1 4.13Å; F497-I536 HydrophobicContact CE2-CG1 3.68Å; F497-A539 HydrophobicContact CB-CB 4.34Å; F497-A539 HydrophobicContact CD2-CB 4.3Å
498	A	98.3	Very high	96.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.2	-46.2	172.6	0	0	0	0	0	111.8	L434 W463 L464 F468 H494 I495 A500 I501 L502	L434-A498 HydrophobicContact CD1-CB 3.8Å; L434-A498 HydrophobicContact CD2-CB 3.8Å; L434-A498 HydrophobicContact CG-CB 4.44Å; W463-A498 HydrophobicContact CE3-CB 4.35Å; L464-A498 HydrophobicContact CD2-CB 4.24Å; F468-A498 HydrophobicContact CZ-CB 3.88Å; H494-A498 WeakPolarHBondContact O-CB 3.41Å; H494-A498 PolarHBondContact O-N 2.99Å; I495-A498 PolarHBondContact O-N 3.24Å; A498-A500 PolarHBondContact O-N 3.08Å; A498-I501 PolarHBondContact O-N 2.83Å; A498-L502 PolarHBondContact O-N 3.31Å
499	A	98.3	Very high	96.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.1	-43.5	178.7	0	0	0	0	0	111.7	L434 L437 I438 I495 F496 F497 I501 L502 L503 L542	L434-A499 HydrophobicContact CD1-CB 3.69Å; L437-A499 HydrophobicContact CD2-CB 3.65Å; L437-A499 HydrophobicContact CG-CB 4.3Å; I438-A499 HydrophobicContact CG1-CB 4.35Å; I495-A499 WeakPolarHBondContact O-CB 3.21Å; I495-A499 PolarHBondContact O-N 2.85Å; F496-A499 PolarHBondContact O-N 3.25Å; F497-A499 VanDerWaalsContact C-N 3.34Å; F497-A499 PolarHBondContact O-N 3.41Å; A499-I501 VanDerWaalsContact C-N 3.31Å; A499-I501 PolarHBondContact O-N 2.88Å; A499-L502 PolarHBondContact O-N 3.08Å; A499-L503 VanDerWaalsContact O-CB 3.3Å; A499-L503 WeakPolarHBondContact O-CB 3.43Å; A499-L503 WeakPolarHBondContact O-CG 3.48Å; A499-L503 PolarHBondContact O-N 3.41Å; A499-L542 HydrophobicContact CB-CD2 4.11Å
500	A	98.4	Very high	97.2	Very high	4 Å²	4	21 Å²	21	3%	0.033	11%	0.108	C	C	.	.	H	α-helix	trans	-58.9	-42.2	177.7	0	0	0	0	0	112.1	F496 F497 A498 S504 R538 A539	F496-A500 WeakPolarHBondContact O-CB 3.26Å; F496-A500 PolarHBondContact O-N 3.48Å; F497-A500 PolarHBondContact O-N 3.45Å; A498-A500 PolarHBondContact O-N 3.08Å; A500-S504 WeakPolarHBondContact O-CB 3.28Å; A500-S504 PolarHBondContact O-N 2.81Å; A500-S504 VanDerWaalsContact O-N 3.07Å; A500-R538 HydrophobicContact CB-CB 3.89Å; A500-A539 HydrophobicContact CB-CB 3.89Å
501	I	98.5	Very high	97.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-51.1	175.7	-63.1	161.6	0	0	0	110	W463 F468 F497 A498 A499 L503 S504 Q505 L526 I530	W463-I501 HydrophobicContact CH2-CB 4.09Å; W463-I501 HydrophobicContact CH2-CG2 3.45Å; W463-I501 VanDerWaalsContact CH2-CG2 3.45Å; W463-I501 HydrophobicContact CZ2-CG2 4.08Å; W463-I501 HydrophobicContact CZ3-CB 4.23Å; W463-I501 HydrophobicContact CZ3-CG2 4.1Å; F468-I501 HydrophobicContact CD1-CD1 4.17Å; F468-I501 HydrophobicContact CE1-CD1 3.69Å; F497-I501 HydrophobicContact CD1-CD1 3.81Å; F497-I501 HydrophobicContact CE1-CD1 3.48Å; F497-I501 VanDerWaalsContact CE1-CD1 3.48Å; F497-I501 HydrophobicContact CE1-CG1 4.47Å; F497-I501 HydrophobicContact CZ-CD1 4.01Å; F497-I501 WeakPolarHBondContact O-CG1 3.29Å; F497-I501 PolarHBondContact O-N 3.4Å; F497-I501 VanDerWaalsContact O-N 3.14Å; A498-I501 PolarHBondContact O-N 2.83Å; A499-I501 VanDerWaalsContact C-N 3.31Å; A499-I501 PolarHBondContact O-N 2.88Å; I501-L503 PolarHBondContact O-N 3.33Å; I501-S504 WeakPolarHBondContact O-CB 3.24Å; I501-S504 PolarHBondContact O-N 2.81Å; I501-S504 VanDerWaalsContact O-N 3.15Å; I501-S504 PolarHBondContact O-OG 2.86Å; I501-Q505 WeakPolarHBondContact O-CG 3.47Å; I501-Q505 PolarHBondContact O-N 3.43Å; I501-L526 HydrophobicContact CG2-CD1 4.3Å; I501-I530 HydrophobicContact CD1-CD1 4.04Å; I501-I530 HydrophobicContact CD1-CG2 4.1Å; I501-I530 HydrophobicContact CG1-CG2 3.94Å; I501-I530 HydrophobicContact CG2-CD1 4.13Å
502	L	97.8	Very high	97.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-61	-44.4	-178.6	-72.3	177	0	0	0	112.7	L434 I438 F445 M457 F459 W463 A498 A499 S504 Q505 R506 V523	L434-L502 HydrophobicContact CD1-CD1 4.44Å; L434-L502 HydrophobicContact CD2-CD1 3.94Å; L434-L502 HydrophobicContact CG-CD1 4.34Å; I438-L502 HydrophobicContact CD1-CB 4.14Å; I438-L502 HydrophobicContact CD1-CD1 3.59Å; F445-L502 HydrophobicContact CE1-CB 4.31Å; M457-L502 HydrophobicContact CE-CD1 4.32Å; F459-L502 HydrophobicContact CD2-CD2 4.5Å; F459-L502 HydrophobicContact CE2-CD1 4.38Å; F459-L502 HydrophobicContact CE2-CD2 3.99Å; W463-L502 HydrophobicContact CH2-CD2 4.08Å; W463-L502 HydrophobicContact CH2-CG 4.42Å; W463-L502 HydrophobicContact CZ3-CD2 4.05Å; W463-L502 HydrophobicContact CZ3-CG 3.99Å; A498-L502 PolarHBondContact O-N 3.31Å; A499-L502 PolarHBondContact O-N 3.08Å; L502-S504 VanDerWaalsContact C-N 3.26Å; L502-S504 PolarHBondContact O-N 3.13Å; L502-Q505 CarbonylContact O-C 3.56Å; L502-Q505 WeakPolarHBondContact O-CA 3.25Å; L502-Q505 PolarHBondContact O-N 3.15Å; L502-R506 PolarHBondContact O-N 3.44Å; L502-V523 HydrophobicContact CD2-CG2 4.39Å
503	L	97.7	Very high	97.4	Very high	41 Å²	41	38.9 Å²	38.9	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-62.9	-33.7	177.3	-69.4	167.7	0	0	0	111.6	V441 D442 F445 A499 I501 Q505 R506 L542	V441-L503 HydrophobicContact CB-CD1 4.41Å; V441-L503 HydrophobicContact CG1-CD1 3.67Å; V441-L503 HydrophobicContact CG1-CD2 4.38Å; D442-L503 HydrophobicContact CB-CD2 3.79Å; F445-L503 HydrophobicContact CD1-CD2 4.22Å; A499-L503 VanDerWaalsContact O-CB 3.3Å; A499-L503 WeakPolarHBondContact O-CB 3.43Å; A499-L503 WeakPolarHBondContact O-CG 3.48Å; A499-L503 PolarHBondContact O-N 3.41Å; I501-L503 PolarHBondContact O-N 3.33Å; L503-Q505 PolarHBondContact O-N 3.49Å; L503-R506 VanDerWaalsContact O-CB 3.24Å; L503-R506 WeakPolarHBondContact O-CB 3.17Å; L503-R506 PolarHBondContact O-N 3.02Å; L503-L542 HydrophobicContact CD1-CD2 4.19Å
504	S	97.4	Very high	97.3	Very high	47 Å²	47	40.4 Å²	40.4	33%	0.329	19%	0.193	S	C	.	.	H	α-helix	trans	-65.5	-24.7	172.5	82.6	0	0	0	0	113.3	A500 I501 L502	A500-S504 WeakPolarHBondContact O-CB 3.28Å; A500-S504 PolarHBondContact O-N 2.81Å; A500-S504 VanDerWaalsContact O-N 3.07Å; I501-S504 WeakPolarHBondContact O-CB 3.24Å; I501-S504 PolarHBondContact O-N 2.81Å; I501-S504 VanDerWaalsContact O-N 3.15Å; I501-S504 PolarHBondContact O-OG 2.86Å; L502-S504 VanDerWaalsContact C-N 3.26Å; L502-S504 PolarHBondContact O-N 3.13Å
505	Q	97.3	Very high	97	Very high	31 Å²	31	43.8 Å²	43.8	15%	0.145	21%	0.211	C	C	.	.	H	α-helix	trans	-98.7	-6.2	-178.9	-59.9	-53.7	-50.6	0	0	113.6	I501 L502 L503 D507 N508 I509 H522 L526	I501-Q505 WeakPolarHBondContact O-CG 3.47Å; I501-Q505 PolarHBondContact O-N 3.43Å; L502-Q505 CarbonylContact O-C 3.56Å; L502-Q505 WeakPolarHBondContact O-CA 3.25Å; L502-Q505 PolarHBondContact O-N 3.15Å; L503-Q505 PolarHBondContact O-N 3.49Å; Q505-D507 VanDerWaalsContact C-N 3.34Å; Q505-D507 PolarHBondContact O-N 3.2Å; Q505-N508 WeakPolarHBondContact O-CB 3.1Å; Q505-N508 PolarHBondContact O-N 3.28Å; Q505-N508 PolarHBondContact OE1-ND2 3.17Å; Q505-I509 HydrophobicContact CB-CD1 4Å; Q505-I509 HydrophobicContact CB-CG1 4.49Å; Q505-I509 WeakPolarHBondContact O-CG1 3.44Å; Q505-I509 PolarHBondContact O-N 2.99Å; Q505-H522 PolarHBondContact OE1-NE2 3.35Å; Q505-L526 HydrophobicContact CG-CD1 3.8Å; Q505-L526 HydrophobicContact CG-CD2 4.3Å
506	R	96.9	Very high	96.5	Very high	52 Å²	52	45.2 Å²	45.2	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-42.3	-56.6	-179.6	176.6	-156.7	-168.3	-98.9	4.5	113.1	D442 F445 L502 L503 N508 I509 M510	D442-R506 IonicContact OD1-CZ 3.03Å; D442-R506 IonicContact OD1-NE 3.04Å; D442-R506 PolarHBondContact OD1-NE 3.32Å; D442-R506 IonicContact OD1-NH2 2.73Å; D442-R506 PolarHBondContact OD1-NH2 3.38Å; D442-R506 WeakPolarHBondContact OD2-CD 3.26Å; D442-R506 IonicContact OD2-CZ 3.18Å; D442-R506 IonicContact OD2-NE 3.41Å; D442-R506 PolarHBondContact OD2-NE 2.89Å; D442-R506 IonicContact OD2-NH2 3.75Å; F445-R506 HydrophobicContact CB-CG 4.04Å; F445-R506 HydrophobicContact CD1-CB 4.47Å; F445-R506 HydrophobicContact CD1-CG 4.36Å; F445-R506 HydrophobicContact CD2-CB 4.32Å; F445-R506 HydrophobicContact CD2-CG 3.78Å; F445-R506 HydrophobicContact CE2-CB 4.43Å; F445-R506 HydrophobicContact CE2-CG 4.33Å; F445-R506 HydrophobicContact CG-CB 4.35Å; F445-R506 HydrophobicContact CG-CG 3.81Å; L502-R506 PolarHBondContact O-N 3.44Å; L503-R506 VanDerWaalsContact O-CB 3.24Å; L503-R506 WeakPolarHBondContact O-CB 3.17Å; L503-R506 PolarHBondContact O-N 3.02Å; R506-N508 VanDerWaalsContact C-N 3.33Å; R506-N508 PolarHBondContact O-N 2.85Å; R506-I509 PolarHBondContact O-N 3Å; R506-M510 HydrophobicContact CG-SD 3.85Å; R506-M510 WeakPolarHBondContact O-CB 3.47Å; R506-M510 PolarHBondContact O-N 3.41Å
507	D	97.2	Very high	96	Very high	92 Å²	92	49.5 Å²	49.5	49%	0.492	25%	0.246	S	C	.	.	H	α-helix	trans	-67.4	-35.8	-174	-66.9	-25.9	0	0	0	111.6	Q505 N511	Q505-D507 VanDerWaalsContact C-N 3.34Å; Q505-D507 PolarHBondContact O-N 3.2Å; D507-N511 WeakPolarHBondContact O-CB 3.3Å; D507-N511 PolarHBondContact O-N 3.22Å; D507-N511 PolarHBondContact O-ND2 3.2Å
508	N	96.1	Very high	95.8	Very high	64 Å²	64	51.7 Å²	51.7	34%	0.342	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-45.3	173.2	-75.5	-46.2	0	0	0	111.2	Q505 R506 R512	Q505-N508 WeakPolarHBondContact O-CB 3.1Å; Q505-N508 PolarHBondContact O-N 3.28Å; Q505-N508 PolarHBondContact OE1-ND2 3.17Å; R506-N508 VanDerWaalsContact C-N 3.33Å; R506-N508 PolarHBondContact O-N 2.85Å; N508-R512 VanDerWaalsContact O-CB 3.24Å; N508-R512 WeakPolarHBondContact O-CB 3.41Å; N508-R512 VanDerWaalsContact O-CG 3.23Å; N508-R512 WeakPolarHBondContact O-CG 3.46Å; N508-R512 PolarHBondContact O-N 2.87Å
509	I	97	Very high	95.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-50.2	-178.6	-68.9	166.8	0	0	0	111	F445 Y448 Q505 R506 K513 Y514 I519	F445-I509 HydrophobicContact CE2-CB 4.31Å; F445-I509 HydrophobicContact CE2-CD1 4.32Å; F445-I509 HydrophobicContact CE2-CG2 4.04Å; F445-I509 HydrophobicContact CZ-CD1 3.98Å; Y448-I509 HydrophobicContact CD1-CG2 4.2Å; Y448-I509 HydrophobicContact CE1-CG2 3.72Å; Q505-I509 HydrophobicContact CB-CD1 4Å; Q505-I509 HydrophobicContact CB-CG1 4.49Å; Q505-I509 WeakPolarHBondContact O-CG1 3.44Å; Q505-I509 PolarHBondContact O-N 2.99Å; R506-I509 PolarHBondContact O-N 3Å; I509-K513 PolarHBondContact O-N 2.91Å; I509-K513 VanDerWaalsContact O-N 3.16Å; I509-Y514 HydrophobicContact CB-CD2 4.41Å; I509-Y514 HydrophobicContact CG1-CD2 4.14Å; I509-Y514 PolarHBondContact O-N 2.76Å; I509-Y514 VanDerWaalsContact O-N 3.1Å; I509-I519 HydrophobicContact CG2-CD1 4.03Å; I509-I519 HydrophobicContact CG2-CG1 3.86Å
510	M	97.1	Very high	95.1	Very high	36 Å²	36	54.1 Å²	54.1	18%	0.177	27%	0.274	C	S	.	.	H	α-helix	trans	-72.6	-45.6	-175.7	-76.5	178.4	31.7	0	0	112.7	T444 F445 Y448 R506 R512 K513	T444-M510 HydrophobicContact CG2-CE 4.19Å; F445-M510 HydrophobicContact CB-SD 4.34Å; F445-M510 HydrophobicContact CD2-CG 4.07Å; F445-M510 HydrophobicContact CD2-SD 3.88Å; Y448-M510 HydrophobicContact CD1-CG 3.98Å; Y448-M510 HydrophobicContact CD2-CG 4Å; Y448-M510 HydrophobicContact CE1-CG 4.46Å; Y448-M510 HydrophobicContact CE2-CG 4.44Å; Y448-M510 HydrophobicContact CG-CG 3.75Å; R506-M510 HydrophobicContact CG-SD 3.85Å; R506-M510 WeakPolarHBondContact O-CB 3.47Å; R506-M510 PolarHBondContact O-N 3.41Å; M510-R512 VanDerWaalsContact C-N 3.31Å; M510-R512 PolarHBondContact O-N 2.79Å; M510-K513 PolarHBondContact O-N 3.05Å
511	N	97.1	Very high	94.8	Very high	122 Å²	122	60.2 Å²	60.2	65%	0.652	30%	0.299	S	S	*	.	H	α-helix	trans	-67.2	-35.7	-176.9	-66.3	-27.3	0	0	0	111.6	D507 K513	D507-N511 WeakPolarHBondContact O-CB 3.3Å; D507-N511 PolarHBondContact O-N 3.22Å; D507-N511 PolarHBondContact O-ND2 3.2Å; N511-K513 VanDerWaalsContact C-N 3.26Å
512	R	95.9	Very high	94.6	Very high	155 Å²	155	61 Å²	61	59%	0.585	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.7	174.7	-60.3	178.6	-178.9	-161.5	1.8	113.3	N508 M510 Y514	N508-R512 VanDerWaalsContact O-CB 3.24Å; N508-R512 WeakPolarHBondContact O-CB 3.41Å; N508-R512 VanDerWaalsContact O-CG 3.23Å; N508-R512 WeakPolarHBondContact O-CG 3.46Å; N508-R512 PolarHBondContact O-N 2.87Å; M510-R512 VanDerWaalsContact C-N 3.31Å; M510-R512 PolarHBondContact O-N 2.79Å; R512-Y514 VanDerWaalsContact C-N 3.32Å; R512-Y514 HydrophobicContact CB-CD1 3.64Å; R512-Y514 HydrophobicContact CB-CE1 3.35Å; R512-Y514 HydrophobicContact CB-CG 4.42Å; R512-Y514 VanDerWaalsContact CD-CZ 3.42Å; R512-Y514 WeakPolarHBondContact CD-OH 3.13Å; R512-Y514 HydrophobicContact CG-CE1 4.15Å; R512-Y514 PolarHBondContact NH1-OH 2.83Å; R512-Y514 PolarHBondContact O-N 3.22Å
513	K	95.2	Very high	94.4	Very high	161 Å²	161	60.9 Å²	60.9	70%	0.7	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	41.4	177.5	-57.8	-178.9	-179.9	179.9	0	113.5	Y448 I509 M510 N511	Y448-K513 WeakPolarHBondContact OH-CA 3.27Å; Y448-K513 PolarHBondContact OH-O 2.84Å; I509-K513 PolarHBondContact O-N 2.91Å; I509-K513 VanDerWaalsContact O-N 3.16Å; M510-K513 PolarHBondContact O-N 3.05Å; N511-K513 VanDerWaalsContact C-N 3.26Å
514	Y	95.8	Very high	94	Very high	37 Å²	37	60.4 Å²	60.4	15%	0.145	30%	0.3	C	S	.	.			trans	-60	135.2	179.4	-69.5	-12.1	0	0	0	112.8	Y448 I509 R512 H522	Y448-Y514 PolarHBondContact OH-N 2.85Å; Y448-Y514 PolarHBondContact OH-O 2.57Å; I509-Y514 HydrophobicContact CB-CD2 4.41Å; I509-Y514 HydrophobicContact CG1-CD2 4.14Å; I509-Y514 PolarHBondContact O-N 2.76Å; I509-Y514 VanDerWaalsContact O-N 3.1Å; R512-Y514 VanDerWaalsContact C-N 3.32Å; R512-Y514 HydrophobicContact CB-CD1 3.64Å; R512-Y514 HydrophobicContact CB-CE1 3.35Å; R512-Y514 HydrophobicContact CB-CG 4.42Å; R512-Y514 VanDerWaalsContact CD-CZ 3.42Å; R512-Y514 WeakPolarHBondContact CD-OH 3.13Å; R512-Y514 HydrophobicContact CG-CE1 4.15Å; R512-Y514 PolarHBondContact NH1-OH 2.83Å; R512-Y514 PolarHBondContact O-N 3.22Å; Y514-H522 HydrophobicContact CD2-CB 4.05Å; Y514-H522 HydrophobicContact CE2-CB 3.59Å; Y514-H522 AromaticContact CE2-CG 3.59Å; Y514-H522 AromaticContact CE2-ND1 3.61Å
515	D	90.7	Very high	93.9	Very high	74 Å²	74	61.1 Å²	61.1	40%	0.396	30%	0.298	S	S	.	.			trans	-83.1	178.3	165.3	61.7	11.7	0	0	0	111.4	N517 S518 I519	D515-N517 VanDerWaalsContact C-N 3.29Å; D515-N517 PolarHBondContact O-N 3.33Å; D515-N517 PolarHBondContact OD1-N 2.74Å; D515-S518 PolarHBondContact O-N 3.19Å; D515-S518 VanDerWaalsContact O-N 3.15Å; D515-S518 WeakPolarHBondContact OD1-CB 3.39Å; D515-S518 PolarHBondContact OD1-N 3.38Å; D515-S518 PolarHBondContact OD1-OG 3.48Å; D515-I519 VanDerWaalsContact O-CG1 3.26Å; D515-I519 WeakPolarHBondContact O-CG1 3.42Å; D515-I519 PolarHBondContact O-N 3.02Å
516	A	88	Confident	93.8	Very high	30 Å²	30	60.5 Å²	60.5	25%	0.248	30%	0.296	C	S	.	.	H	α-helix	trans	-54.4	-42	-177.4	0	0	0	0	0	113.5	A454 I519 L520	A454-A516 HydrophobicContact CB-CB 4.28Å; A516-I519 PolarHBondContact O-N 3.4Å; A516-L520 PolarHBondContact O-N 2.81Å
517	N	87.8	Confident	93.7	Very high	91 Å²	91	59.7 Å²	59.7	49%	0.487	30%	0.298	S	S	.	.	H	α-helix	trans	-69.5	-40	178.9	-68.1	-31.2	0	0	0	112	D515 I519 L520 K521	D515-N517 VanDerWaalsContact C-N 3.29Å; D515-N517 PolarHBondContact O-N 3.33Å; D515-N517 PolarHBondContact OD1-N 2.74Å; N517-I519 VanDerWaalsContact C-N 3.33Å; N517-L520 PolarHBondContact O-N 2.8Å; N517-K521 PolarHBondContact O-N 3.02Å
518	S	93.5	Very high	93.7	Very high	45 Å²	45	61 Å²	61	32%	0.315	30%	0.302	S	S	.	.	H	α-helix	trans	-67.5	-34.9	176	-56.8	0	0	0	0	111.7	D515 H522	D515-S518 PolarHBondContact O-N 3.19Å; D515-S518 VanDerWaalsContact O-N 3.15Å; D515-S518 WeakPolarHBondContact OD1-CB 3.39Å; D515-S518 PolarHBondContact OD1-N 3.38Å; D515-S518 PolarHBondContact OD1-OG 3.48Å; S518-H522 VanDerWaalsContact O-CB 3.3Å; S518-H522 WeakPolarHBondContact O-CB 3.1Å; S518-H522 PolarHBondContact O-N 3.09Å
519	I	93	Very high	93.7	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.9	-48.7	172.1	-66.7	164.5	0	0	0	109.9	L449 A454 F459 I509 D515 A516 N517 K521 H522 V523	L449-I519 HydrophobicContact CD2-CD1 3.8Å; A454-I519 HydrophobicContact CB-CD1 4.02Å; F459-I519 HydrophobicContact CD1-CG2 3.76Å; F459-I519 HydrophobicContact CD2-CG2 3.97Å; F459-I519 HydrophobicContact CE1-CG2 3.77Å; F459-I519 HydrophobicContact CE2-CG2 3.97Å; F459-I519 HydrophobicContact CG-CG2 3.87Å; F459-I519 HydrophobicContact CZ-CG2 3.87Å; I509-I519 HydrophobicContact CG2-CD1 4.03Å; I509-I519 HydrophobicContact CG2-CG1 3.86Å; D515-I519 VanDerWaalsContact O-CG1 3.26Å; D515-I519 WeakPolarHBondContact O-CG1 3.42Å; D515-I519 PolarHBondContact O-N 3.02Å; A516-I519 PolarHBondContact O-N 3.4Å; N517-I519 VanDerWaalsContact C-N 3.33Å; I519-K521 VanDerWaalsContact C-N 3.34Å; I519-K521 PolarHBondContact O-N 2.89Å; I519-H522 PolarHBondContact O-N 3.31Å; I519-V523 HydrophobicContact CG2-CG2 4.2Å; I519-V523 WeakPolarHBondContact O-CB 3.26Å; I519-V523 WeakPolarHBondContact O-CG2 3.42Å; I519-V523 PolarHBondContact O-N 3.01Å
520	L	89.2	Confident	93.8	Very high	52 Å²	52	65.7 Å²	65.7	27%	0.272	32%	0.321	S	S	.	.	H	α-helix	trans	-55.5	-48.6	176.2	174.9	64.2	0	0	0	111.6	F459 A516 N517 V523 N524	F459-L520 HydrophobicContact CB-CB 4.03Å; F459-L520 HydrophobicContact CB-CD1 3.63Å; F459-L520 HydrophobicContact CB-CG 4.46Å; A516-L520 PolarHBondContact O-N 2.81Å; N517-L520 PolarHBondContact O-N 2.8Å; L520-V523 PolarHBondContact O-N 3.24Å; L520-N524 WeakPolarHBondContact O-CB 3.43Å; L520-N524 PolarHBondContact O-N 3.48Å; L520-N524 PolarHBondContact O-ND2 3.31Å
521	K	90.5	Very high	93.8	Very high	131 Å²	131	67.4 Å²	67.4	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-59.2	-48.8	176.4	-179.9	173.9	174.8	173.9	0	111.8	N517 I519 V523 N524 E525	N517-K521 PolarHBondContact O-N 3.02Å; I519-K521 VanDerWaalsContact C-N 3.34Å; I519-K521 PolarHBondContact O-N 2.89Å; K521-V523 PolarHBondContact O-N 3.37Å; K521-N524 PolarHBondContact O-N 3.44Å; K521-E525 WeakPolarHBondContact CE-OE1 3.31Å; K521-E525 IonicContact NZ-OE1 3.97Å; K521-E525 WeakPolarHBondContact O-CG 3.48Å; K521-E525 PolarHBondContact O-N 2.95Å
522	H	95.3	Very high	93.8	Very high	17 Å²	17	62 Å²	62	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-46	179.1	-179.1	80.1	0	0	0	111.6	Q505 Y514 S518 I519 N524 E525 L526	Q505-H522 PolarHBondContact OE1-NE2 3.35Å; Y514-H522 HydrophobicContact CD2-CB 4.05Å; Y514-H522 HydrophobicContact CE2-CB 3.59Å; Y514-H522 AromaticContact CE2-CG 3.59Å; Y514-H522 AromaticContact CE2-ND1 3.61Å; S518-H522 VanDerWaalsContact O-CB 3.3Å; S518-H522 WeakPolarHBondContact O-CB 3.1Å; S518-H522 PolarHBondContact O-N 3.09Å; I519-H522 PolarHBondContact O-N 3.31Å; H522-N524 PolarHBondContact O-N 2.93Å; H522-E525 WeakPolarHBondContact O-CB 3.43Å; H522-E525 PolarHBondContact O-N 2.65Å; H522-L526 WeakPolarHBondContact O-CG 3.46Å; H522-L526 PolarHBondContact O-N 3.14Å
523	V	93.8	Very high	93.8	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-43.8	178	163.4	0	0	0	0	111.3	F459 W463 L502 I519 L520 K521 E525 L526	F459-V523 HydrophobicContact CB-CB 4.38Å; F459-V523 HydrophobicContact CB-CG1 4.39Å; F459-V523 HydrophobicContact CD2-CG2 3.97Å; F459-V523 VanDerWaalsContact O-CG1 3.28Å; F459-V523 WeakPolarHBondContact O-CG1 3.43Å; W463-V523 HydrophobicContact CH2-CG1 4.07Å; W463-V523 HydrophobicContact CZ2-CB 4.48Å; W463-V523 HydrophobicContact CZ2-CG1 3.44Å; W463-V523 VanDerWaalsContact CZ2-CG1 3.44Å; L502-V523 HydrophobicContact CD2-CG2 4.39Å; I519-V523 HydrophobicContact CG2-CG2 4.2Å; I519-V523 WeakPolarHBondContact O-CB 3.26Å; I519-V523 WeakPolarHBondContact O-CG2 3.42Å; I519-V523 PolarHBondContact O-N 3.01Å; L520-V523 PolarHBondContact O-N 3.24Å; K521-V523 PolarHBondContact O-N 3.37Å; V523-E525 VanDerWaalsContact C-N 3.31Å; V523-E525 PolarHBondContact O-N 3.01Å; V523-L526 VanDerWaalsContact O-CB 3.31Å; V523-L526 WeakPolarHBondContact O-CB 3.48Å; V523-L526 PolarHBondContact O-N 2.55Å; V523-L526 VanDerWaalsContact O-N 3.16Å
524	N	89.4	Confident	93.9	Very high	30 Å²	30	53.6 Å²	53.6	16%	0.16	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-37.4	175.5	-72.8	-24.3	0	0	0	112.3	L520 K521 H522 L526 S527 N607	L520-N524 WeakPolarHBondContact O-CB 3.43Å; L520-N524 PolarHBondContact O-N 3.48Å; L520-N524 PolarHBondContact O-ND2 3.31Å; K521-N524 PolarHBondContact O-N 3.44Å; H522-N524 PolarHBondContact O-N 2.93Å; N524-L526 PolarHBondContact O-N 2.96Å; N524-S527 WeakPolarHBondContact O-CB 3.09Å; N524-S527 PolarHBondContact O-N 3.15Å; N524-N607 WeakPolarHBondContact ND2-CB 3.49Å
525	E	94.9	Very high	94	Very high	63 Å²	63	51.9 Å²	51.9	29%	0.294	27%	0.271	S	S	.	.	H	α-helix	trans	-69.2	-12.8	176.9	-74.1	175.1	-175.4	0	0	113.8	K521 H522 V523 S527 K529	K521-E525 WeakPolarHBondContact CE-OE1 3.31Å; K521-E525 IonicContact NZ-OE1 3.97Å; K521-E525 WeakPolarHBondContact O-CG 3.48Å; K521-E525 PolarHBondContact O-N 2.95Å; H522-E525 WeakPolarHBondContact O-CB 3.43Å; H522-E525 PolarHBondContact O-N 2.65Å; V523-E525 VanDerWaalsContact C-N 3.31Å; V523-E525 PolarHBondContact O-N 3.01Å; E525-S527 VanDerWaalsContact C-N 3.27Å; E525-K529 WeakPolarHBondContact O-CD 3.27Å; E525-K529 WeakPolarHBondContact O-CE 3.45Å; E525-K529 PolarHBondContact O-NZ 2.6Å
526	L	96	Very high	94.3	Very high	17 Å²	17	48.5 Å²	48.5	9%	0.089	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-17.2	172.8	-63.2	172.2	0	0	0	112.9	W463 I501 Q505 H522 V523 N524 M528 K529 I530	W463-L526 HydrophobicContact CZ2-CD1 4.37Å; I501-L526 HydrophobicContact CG2-CD1 4.3Å; Q505-L526 HydrophobicContact CG-CD1 3.8Å; Q505-L526 HydrophobicContact CG-CD2 4.3Å; H522-L526 WeakPolarHBondContact O-CG 3.46Å; H522-L526 PolarHBondContact O-N 3.14Å; V523-L526 VanDerWaalsContact O-CB 3.31Å; V523-L526 WeakPolarHBondContact O-CB 3.48Å; V523-L526 PolarHBondContact O-N 2.55Å; V523-L526 VanDerWaalsContact O-N 3.16Å; N524-L526 PolarHBondContact O-N 2.96Å; L526-M528 PolarHBondContact O-N 3.02Å; L526-K529 WeakPolarHBondContact O-CA 3.39Å; L526-K529 WeakPolarHBondContact O-CB 3.01Å; L526-K529 PolarHBondContact O-N 3.03Å; L526-I530 HydrophobicContact CB-CD1 4.25Å; L526-I530 HydrophobicContact CB-CG1 3.91Å; L526-I530 WeakPolarHBondContact O-CG1 3.44Å; L526-I530 PolarHBondContact O-N 3.36Å
527	S	95.1	Very high	94.8	Very high	36 Å²	36	49.4 Å²	49.4	25%	0.252	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	131.7	178.3	175.7	0	0	0	0	110.7	R470 E471 N524 E525 K529	R470-S527 PolarHBondContact O-OG 3.15Å; E471-S527 WeakPolarHBondContact OE2-CA 3.44Å; E471-S527 WeakPolarHBondContact OE2-CB 3.44Å; N524-S527 WeakPolarHBondContact O-CB 3.09Å; N524-S527 PolarHBondContact O-N 3.15Å; E525-S527 VanDerWaalsContact C-N 3.27Å; S527-K529 PolarHBondContact O-N 2.7Å; S527-K529 VanDerWaalsContact O-N 3.11Å
528	M	95.7	Very high	95.3	Very high	118 Å²	118	50.7 Å²	50.7	58%	0.581	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	4.6	-176.2	-52.9	-61	-65.2	0	0	115.7	E471 L526	E471-M528 WeakPolarHBondContact O-CA 3.49Å; E471-M528 PolarHBondContact O-N 3.45Å; L526-M528 PolarHBondContact O-N 3.02Å
529	K	97.4	Very high	95.5	Very high	149 Å²	149	48.5 Å²	48.5	65%	0.648	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.7	-6	179.8	-58.1	177.1	-165.1	150.4	0	113.4	E525 L526 S527 P531	E525-K529 WeakPolarHBondContact O-CD 3.27Å; E525-K529 WeakPolarHBondContact O-CE 3.45Å; E525-K529 PolarHBondContact O-NZ 2.6Å; L526-K529 WeakPolarHBondContact O-CA 3.39Å; L526-K529 WeakPolarHBondContact O-CB 3.01Å; L526-K529 PolarHBondContact O-N 3.03Å; S527-K529 PolarHBondContact O-N 2.7Å; S527-K529 VanDerWaalsContact O-N 3.11Å; K529-P531 WeakPolarHBondContact O-CD 3.39Å
530	I	97.7	Very high	95.8	Very high	15 Å²	15	49.2 Å²	49.2	8%	0.077	24%	0.24	C	C	.	.	S	Bend	trans	-71.5	124.2	178.8	-56.5	175.1	0	0	0	109.2	W463 E471 F472 I501 L526 L532 S535	W463-I530 HydrophobicContact CZ2-CD1 4.44Å; E471-I530 HydrophobicContact CB-CD1 4.01Å; F472-I530 HydrophobicContact CE1-CB 3.69Å; F472-I530 HydrophobicContact CE1-CG2 3.84Å; F472-I530 HydrophobicContact CZ-CB 3.75Å; F472-I530 HydrophobicContact CZ-CD1 4.17Å; F472-I530 HydrophobicContact CZ-CG2 3.61Å; I501-I530 HydrophobicContact CD1-CD1 4.04Å; I501-I530 HydrophobicContact CD1-CG2 4.1Å; I501-I530 HydrophobicContact CG1-CG2 3.94Å; I501-I530 HydrophobicContact CG2-CD1 4.13Å; L526-I530 HydrophobicContact CB-CD1 4.25Å; L526-I530 HydrophobicContact CB-CG1 3.91Å; L526-I530 WeakPolarHBondContact O-CG1 3.44Å; L526-I530 PolarHBondContact O-N 3.36Å; I530-L532 PolarHBondContact O-N 3.17Å; I530-S535 WeakPolarHBondContact CG2-OG 3.5Å
531	P	97	Very high	96.2	Very high	71 Å²	71	47 Å²	47	46%	0.461	23%	0.229	S	C	.	.			trans	-74.3	98.9	175.9	30.4	-33	0	0	0	109.6	K529 E533 D534 S535	K529-P531 WeakPolarHBondContact O-CD 3.39Å; P531-E533 PolarHBondContact O-N 3.28Å; P531-D534 HydrophobicContact CB-CB 4.19Å; P531-D534 HydrophobicContact CG-CB 4.26Å; P531-D534 PolarHBondContact O-N 3.12Å; P531-S535 WeakPolarHBondContact O-CB 3.43Å; P531-S535 PolarHBondContact O-N 2.97Å; P531-S535 PolarHBondContact O-OG 3.47Å
532	L	97.7	Very high	96.5	Very high	9 Å²	9	41 Å²	41	5%	0.047	20%	0.203	C	C	.	.	H	α-helix	trans	-52.2	-54.7	-174	174.3	67	0	0	0	112.7	F472 D476 T479 L480 F497 I530 D534 S535 I536	F472-L532 HydrophobicContact CD1-CB 4.26Å; F472-L532 HydrophobicContact CD1-CD1 4.42Å; F472-L532 HydrophobicContact CE1-CB 3.91Å; F472-L532 HydrophobicContact CE1-CD1 4.04Å; F472-L532 HydrophobicContact CZ-CD1 4.23Å; D476-L532 HydrophobicContact CB-CB 4.48Å; D476-L532 HydrophobicContact CB-CD2 3.66Å; D476-L532 WeakPolarHBondContact O-CD2 3.07Å; T479-L532 HydrophobicContact CG2-CD2 4.3Å; L480-L532 HydrophobicContact CB-CD1 4.01Å; L480-L532 HydrophobicContact CD1-CD1 4.11Å; L480-L532 HydrophobicContact CG-CD1 4.46Å; F497-L532 HydrophobicContact CE2-CD1 4.33Å; F497-L532 HydrophobicContact CZ-CD1 4.01Å; I530-L532 PolarHBondContact O-N 3.17Å; L532-D534 PolarHBondContact O-N 3.5Å; L532-S535 WeakPolarHBondContact O-CB 3.48Å; L532-S535 PolarHBondContact O-N 3.25Å; L532-S535 VanDerWaalsContact O-N 3.16Å; L532-I536 HydrophobicContact CD1-CD1 3.72Å; L532-I536 HydrophobicContact CD1-CG1 4.12Å; L532-I536 HydrophobicContact CG-CD1 4.02Å; L532-I536 PolarHBondContact O-N 2.83Å
533	E	96.2	Very high	96.7	Very high	81 Å²	81	40.2 Å²	40.2	38%	0.379	20%	0.199	S	C	.	.	H	α-helix	trans	-62.6	-44.5	-173.1	-66.7	-64.9	120.5	0	0	112.1	R245 P531 S535 I536 I537	R245-E533 VanDerWaalsContact CG-OE2 3.28Å; R245-E533 WeakPolarHBondContact CG-OE2 3.42Å; R245-E533 VanDerWaalsContact CZ-CD 3.41Å; R245-E533 IonicContact CZ-OE1 2.9Å; R245-E533 IonicContact CZ-OE2 2.98Å; R245-E533 IonicContact NE-OE2 3.32Å; R245-E533 PolarHBondContact NE-OE2 3.22Å; R245-E533 IonicContact NH1-OE1 2.74Å; R245-E533 PolarHBondContact NH1-OE1 3.27Å; R245-E533 IonicContact NH1-OE2 3.5Å; R245-E533 PolarHBondContact NH1-OE2 2.5Å; R245-E533 IonicContact NH2-OE1 3.67Å; R245-E533 PolarHBondContact NH2-OE1 2.98Å; R245-E533 IonicContact NH2-OE2 2.66Å; R245-E533 PolarHBondContact NH2-OE2 2.87Å; P531-E533 PolarHBondContact O-N 3.28Å; E533-S535 VanDerWaalsContact C-N 3.31Å; E533-S535 PolarHBondContact O-N 3.46Å; E533-I536 PolarHBondContact O-N 3.4Å; E533-I537 WeakPolarHBondContact O-CB 3.44Å; E533-I537 VanDerWaalsContact O-CG1 3.24Å; E533-I537 WeakPolarHBondContact O-CG1 3.37Å; E533-I537 PolarHBondContact O-N 2.92Å
534	D	97.2	Very high	96.8	Very high	58 Å²	58	40.7 Å²	40.7	31%	0.31	20%	0.204	S	C	.	.	H	α-helix	trans	-64.7	-37.8	176.1	-179.1	75.6	0	0	0	111.1	P531 L532 I537 R538	P531-D534 HydrophobicContact CB-CB 4.19Å; P531-D534 HydrophobicContact CG-CB 4.26Å; P531-D534 PolarHBondContact O-N 3.12Å; L532-D534 PolarHBondContact O-N 3.5Å; D534-I537 PolarHBondContact O-N 2.99Å; D534-R538 WeakPolarHBondContact O-CB 3.28Å; D534-R538 WeakPolarHBondContact O-CG 3.17Å; D534-R538 PolarHBondContact O-N 3.07Å; D534-R538 IonicContact OD1-CZ 3.11Å; D534-R538 IonicContact OD1-NE 3.43Å; D534-R538 PolarHBondContact OD1-NE 2.99Å; D534-R538 IonicContact OD1-NH2 3.24Å; D534-R538 PolarHBondContact OD1-NH2 3.28Å; D534-R538 IonicContact OD2-CZ 3.33Å; D534-R538 IonicContact OD2-NE 3.86Å; D534-R538 PolarHBondContact OD2-NE 3.15Å; D534-R538 IonicContact OD2-NH2 2.72Å; D534-R538 PolarHBondContact OD2-NH2 3.4Å
535	S	98.1	Very high	97.2	Very high	2 Å²	2	40 Å²	40	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-41.3	178.1	-57.1	0	0	0	0	111.8	F497 I530 P531 L532 E533 A539	F497-S535 VanDerWaalsContact CE2-CB 3.47Å; I530-S535 WeakPolarHBondContact CG2-OG 3.5Å; P531-S535 WeakPolarHBondContact O-CB 3.43Å; P531-S535 PolarHBondContact O-N 2.97Å; P531-S535 PolarHBondContact O-OG 3.47Å; L532-S535 WeakPolarHBondContact O-CB 3.48Å; L532-S535 PolarHBondContact O-N 3.25Å; L532-S535 VanDerWaalsContact O-N 3.16Å; E533-S535 VanDerWaalsContact C-N 3.31Å; E533-S535 PolarHBondContact O-N 3.46Å; S535-A539 VanDerWaalsContact O-CB 3.3Å; S535-A539 WeakPolarHBondContact O-CB 3.48Å; S535-A539 PolarHBondContact O-N 3.34Å
536	I	97.8	Very high	97.3	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-47.7	173.3	-70.1	177.1	0	0	0	110	L480 F497 L532 E533 R538 A539 T540	L480-I536 HydrophobicContact CD1-CD1 4.23Å; L480-I536 HydrophobicContact CD1-CG1 4.34Å; F497-I536 HydrophobicContact CD2-CG1 4.13Å; F497-I536 HydrophobicContact CE2-CG1 3.68Å; L532-I536 HydrophobicContact CD1-CD1 3.72Å; L532-I536 HydrophobicContact CD1-CG1 4.12Å; L532-I536 HydrophobicContact CG-CD1 4.02Å; L532-I536 PolarHBondContact O-N 2.83Å; E533-I536 PolarHBondContact O-N 3.4Å; I536-R538 VanDerWaalsContact C-N 3.34Å; I536-R538 PolarHBondContact O-N 3.37Å; I536-A539 PolarHBondContact O-N 3.21Å; I536-T540 WeakPolarHBondContact O-CB 3.46Å; I536-T540 PolarHBondContact O-N 3.47Å; I536-T540 PolarHBondContact O-OG1 3.42Å
537	I	97.9	Very high	97.2	Very high	49 Å²	49	38.9 Å²	38.9	25%	0.251	19%	0.194	S	C	.	.	H	α-helix	trans	-56.7	-47.8	178.6	-72.6	166.7	0	0	0	111	V243 R245 E533 D534 T540 A541	V243-I537 HydrophobicContact CB-CG2 4.16Å; R245-I537 HydrophobicContact CG-CD1 3.96Å; R245-I537 HydrophobicContact CG-CG1 3.77Å; E533-I537 WeakPolarHBondContact O-CB 3.44Å; E533-I537 VanDerWaalsContact O-CG1 3.24Å; E533-I537 WeakPolarHBondContact O-CG1 3.37Å; E533-I537 PolarHBondContact O-N 2.92Å; D534-I537 PolarHBondContact O-N 2.99Å; I537-T540 PolarHBondContact O-N 3.22Å; I537-A541 VanDerWaalsContact O-CB 3.27Å; I537-A541 WeakPolarHBondContact O-CB 3.44Å; I537-A541 PolarHBondContact O-N 3.31Å
538	R	98	Very high	97.2	Very high	118 Å²	118	42.9 Å²	42.9	45%	0.445	21%	0.209	S	C	.	.	H	α-helix	trans	-63.2	-43.3	178	-73.9	179.8	-161.9	-78.3	-16.7	112.2	A500 D534 I536 A541 L542	A500-R538 HydrophobicContact CB-CB 3.89Å; D534-R538 WeakPolarHBondContact O-CB 3.28Å; D534-R538 WeakPolarHBondContact O-CG 3.17Å; D534-R538 PolarHBondContact O-N 3.07Å; D534-R538 IonicContact OD1-CZ 3.11Å; D534-R538 IonicContact OD1-NE 3.43Å; D534-R538 PolarHBondContact OD1-NE 2.99Å; D534-R538 IonicContact OD1-NH2 3.24Å; D534-R538 PolarHBondContact OD1-NH2 3.28Å; D534-R538 IonicContact OD2-CZ 3.33Å; D534-R538 IonicContact OD2-NE 3.86Å; D534-R538 PolarHBondContact OD2-NE 3.15Å; D534-R538 IonicContact OD2-NH2 2.72Å; D534-R538 PolarHBondContact OD2-NH2 3.4Å; I536-R538 VanDerWaalsContact C-N 3.34Å; I536-R538 PolarHBondContact O-N 3.37Å; R538-A541 PolarHBondContact O-N 3.08Å; R538-L542 VanDerWaalsContact O-CB 3.26Å; R538-L542 WeakPolarHBondContact O-CB 3.36Å; R538-L542 PolarHBondContact O-N 3.39Å
539	A	98.4	Very high	97.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63	-45.3	178.3	0	0	0	0	0	111.8	F493 F496 F497 A500 S535 I536 L542 L543	F493-A539 HydrophobicContact CE2-CB 3.93Å; F493-A539 HydrophobicContact CZ-CB 3.7Å; F496-A539 HydrophobicContact CB-CB 4.27Å; F497-A539 HydrophobicContact CB-CB 4.34Å; F497-A539 HydrophobicContact CD2-CB 4.3Å; A500-A539 HydrophobicContact CB-CB 3.89Å; S535-A539 VanDerWaalsContact O-CB 3.3Å; S535-A539 WeakPolarHBondContact O-CB 3.48Å; S535-A539 PolarHBondContact O-N 3.34Å; I536-A539 PolarHBondContact O-N 3.21Å; A539-L542 PolarHBondContact O-N 3.08Å; A539-L543 PolarHBondContact O-N 3.5Å
540	T	98	Very high	96.9	Very high	14 Å²	14	32.4 Å²	32.4	9%	0.086	16%	0.163	C	C	.	.	H	α-helix	trans	-63.7	-42	175.8	-55.5	0	0	0	0	111.5	V243 F275 I536 I537 L542 L543 G544	V243-T540 HydrophobicContact CG1-CG2 3.8Å; V243-T540 HydrophobicContact CG2-CG2 4.04Å; F275-T540 HydrophobicContact CE1-CG2 3.88Å; F275-T540 HydrophobicContact CZ-CG2 4.26Å; F275-T540 WeakPolarHBondContact CZ-OG1 3.21Å; I536-T540 WeakPolarHBondContact O-CB 3.46Å; I536-T540 PolarHBondContact O-N 3.47Å; I536-T540 PolarHBondContact O-OG1 3.42Å; I537-T540 PolarHBondContact O-N 3.22Å; T540-L542 VanDerWaalsContact C-N 3.35Å; T540-L543 PolarHBondContact O-N 3.38Å; T540-G544 PolarHBondContact O-N 3.4Å
541	A	97.9	Very high	96.6	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-66.2	-38.9	177.4	0	0	0	0	0	111.5	M240 P241 V243 I537 R538 G544 Q545	M240-A541 HydrophobicContact CE-CB 3.39Å; M240-A541 HydrophobicContact SD-CB 4.33Å; P241-A541 VanDerWaalsContact CD-O 3.29Å; P241-A541 WeakPolarHBondContact CD-O 3.24Å; P241-A541 HydrophobicContact CG-CB 4.27Å; P241-A541 WeakPolarHBondContact CG-O 3.23Å; V243-A541 HydrophobicContact CB-CB 4.47Å; V243-A541 HydrophobicContact CG2-CB 3.8Å; I537-A541 VanDerWaalsContact O-CB 3.27Å; I537-A541 WeakPolarHBondContact O-CB 3.44Å; I537-A541 PolarHBondContact O-N 3.31Å; R538-A541 PolarHBondContact O-N 3.08Å; A541-G544 PolarHBondContact O-N 2.95Å; A541-Q545 WeakPolarHBondContact O-CB 3.43Å; A541-Q545 PolarHBondContact O-N 3.1Å
542	L	98	Very high	96.3	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-46.3	177.4	-178.9	62.3	0	0	0	111.3	M240 L437 V441 F496 A499 L503 R538 A539 T540 G544 Q545 L546	M240-L542 HydrophobicContact CE-CB 4.3Å; L437-L542 HydrophobicContact CD2-CD2 4.37Å; V441-L542 HydrophobicContact CB-CD1 4.44Å; V441-L542 HydrophobicContact CG1-CD1 3.83Å; V441-L542 HydrophobicContact CG2-CD1 3.68Å; F496-L542 HydrophobicContact CD1-CD2 4.32Å; F496-L542 HydrophobicContact CD1-CG 4.32Å; A499-L542 HydrophobicContact CB-CD2 4.11Å; L503-L542 HydrophobicContact CD1-CD2 4.19Å; R538-L542 VanDerWaalsContact O-CB 3.26Å; R538-L542 WeakPolarHBondContact O-CB 3.36Å; R538-L542 PolarHBondContact O-N 3.39Å; A539-L542 PolarHBondContact O-N 3.08Å; T540-L542 VanDerWaalsContact C-N 3.35Å; L542-G544 PolarHBondContact O-N 2.91Å; L542-Q545 WeakPolarHBondContact O-CB 3.49Å; L542-Q545 PolarHBondContact O-N 3.28Å; L542-L546 HydrophobicContact CD1-CD1 4.28Å; L542-L546 HydrophobicContact CG-CD1 4.3Å; L542-L546 WeakPolarHBondContact O-CG 3.27Å; L542-L546 PolarHBondContact O-N 3.48Å
543	L	97.7	Very high	95.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-56.7	-49.7	173	175.2	61.9	0	0	0	111.1	R489 T490 F493 F496 A539 T540 Q545 L546 E547 I561	R489-L543 HydrophobicContact CB-CD2 3.8Å; T490-L543 HydrophobicContact CG2-CD1 4.12Å; T490-L543 HydrophobicContact CG2-CD2 3.57Å; F493-L543 HydrophobicContact CD2-CD2 4.33Å; F496-L543 HydrophobicContact CD1-CB 4.07Å; F496-L543 HydrophobicContact CD1-CD1 4.46Å; F496-L543 HydrophobicContact CD2-CD1 4.45Å; F496-L543 HydrophobicContact CE1-CB 4.26Å; F496-L543 HydrophobicContact CE1-CD1 3.95Å; F496-L543 HydrophobicContact CE2-CD1 3.94Å; F496-L543 HydrophobicContact CG-CB 4.38Å; F496-L543 HydrophobicContact CZ-CD1 3.68Å; A539-L543 PolarHBondContact O-N 3.5Å; T540-L543 PolarHBondContact O-N 3.38Å; L543-Q545 VanDerWaalsContact C-N 3.3Å; L543-Q545 PolarHBondContact O-N 2.75Å; L543-L546 PolarHBondContact O-N 3.46Å; L543-E547 HydrophobicContact CD1-CG 4.29Å; L543-E547 WeakPolarHBondContact O-CG 3.44Å; L543-E547 PolarHBondContact O-N 3.5Å; L543-I561 HydrophobicContact CD1-CG1 4.34Å; L543-I561 HydrophobicContact CD1-CG2 3.99Å
544	G	96.9	Very high	95.6	Very high	10 Å²	10	37.8 Å²	37.8	10%	0.103	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-28.2	178.7	0	0	0	0	0	114.4	T540 A541 L542 Q548	T540-G544 PolarHBondContact O-N 3.4Å; A541-G544 PolarHBondContact O-N 2.95Å; L542-G544 PolarHBondContact O-N 2.91Å; G544-Q548 WeakPolarHBondContact O-CG 3.45Å; G544-Q548 PolarHBondContact O-NE2 2.85Å
545	Q	97	Very high	95.2	Very high	15 Å²	15	41 Å²	41	7%	0.07	21%	0.213	C	C	.	.	H	α-helix	trans	-68.9	-44.8	174	-173	-168.5	36.7	0	0	110.9	P238 M240 A541 L542 L543 Q548	P238-Q545 HydrophobicContact CG-CG 3.84Å; P238-Q545 WeakPolarHBondContact CG-O 3.25Å; P238-Q545 WeakPolarHBondContact O-CG 3.43Å; P238-Q545 PolarHBondContact O-NE2 3.02Å; M240-Q545 HydrophobicContact SD-CB 3.77Å; M240-Q545 HydrophobicContact SD-CG 4.06Å; M240-Q545 PolarHBondContact SD-OE1 3.33Å; A541-Q545 WeakPolarHBondContact O-CB 3.43Å; A541-Q545 PolarHBondContact O-N 3.1Å; L542-Q545 WeakPolarHBondContact O-CB 3.49Å; L542-Q545 PolarHBondContact O-N 3.28Å; L543-Q545 VanDerWaalsContact C-N 3.3Å; L543-Q545 PolarHBondContact O-N 2.75Å; Q545-Q548 PolarHBondContact O-N 3.48Å
546	L	96.9	Very high	94.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-74.8	-34.9	-177.6	-68	174	0	0	0	112.6	L237 L437 I440 V441 F496 L542 L543 Q548 I549 S550 L553 I561	L237-L546 HydrophobicContact CD2-CD2 3.93Å; L437-L546 HydrophobicContact CD1-CD1 3.3Å; I440-L546 HydrophobicContact CG2-CD2 4.23Å; V441-L546 HydrophobicContact CG2-CD1 4.13Å; V441-L546 HydrophobicContact CG2-CD2 4.38Å; F496-L546 HydrophobicContact CE1-CD1 4.05Å; L542-L546 HydrophobicContact CD1-CD1 4.28Å; L542-L546 HydrophobicContact CG-CD1 4.3Å; L542-L546 WeakPolarHBondContact O-CG 3.27Å; L542-L546 PolarHBondContact O-N 3.48Å; L543-L546 PolarHBondContact O-N 3.46Å; L546-Q548 PolarHBondContact O-N 3.17Å; L546-I549 HydrophobicContact CD2-CD1 4.37Å; L546-I549 CarbonylContact O-C 3.38Å; L546-I549 WeakPolarHBondContact O-CG1 3.27Å; L546-I549 PolarHBondContact O-N 2.95Å; L546-I549 VanDerWaalsContact O-N 3.08Å; L546-S550 PolarHBondContact O-N 3.12Å; L546-S550 VanDerWaalsContact O-N 3.15Å; L546-L553 HydrophobicContact CB-CD1 3.97Å; L546-L553 HydrophobicContact CD2-CD1 4.25Å; L546-L553 HydrophobicContact CD2-CD2 4.06Å; L546-L553 WeakPolarHBondContact O-CD1 3.4Å; L546-I561 HydrophobicContact CB-CD1 3.95Å
547	E	95.4	Very high	94.3	Very high	57 Å²	57	43.7 Å²	43.7	27%	0.266	23%	0.232	S	C	.	.	H	α-helix	trans	-57.8	-34.2	173.3	-79.2	175.5	-170	0	0	113.1	R489 L543 I549 S550 I561	R489-E547 IonicContact CZ-OE1 2.84Å; R489-E547 VanDerWaalsContact CZ-OE1 3.26Å; R489-E547 IonicContact CZ-OE2 3.64Å; R489-E547 IonicContact NE-OE1 3.49Å; R489-E547 PolarHBondContact NE-OE1 3.25Å; R489-E547 IonicContact NE-OE2 3.66Å; R489-E547 PolarHBondContact NE-OE2 3.18Å; R489-E547 IonicContact NH2-OE1 3.99Å; R489-E547 PolarHBondContact NH2-OE1 3.4Å; R489-E547 IonicContact NH2-OE2 3.52Å; R489-E547 PolarHBondContact NH2-OE2 2.99Å; L543-E547 HydrophobicContact CD1-CG 4.29Å; L543-E547 WeakPolarHBondContact O-CG 3.44Å; L543-E547 PolarHBondContact O-N 3.5Å; E547-I549 PolarHBondContact O-N 2.58Å; E547-S550 WeakPolarHBondContact O-CB 3.03Å; E547-S550 PolarHBondContact O-N 3.11Å; E547-I561 HydrophobicContact CG-CG2 3.95Å
548	Q	94.7	Very high	94.1	Very high	120 Å²	120	43.4 Å²	43.4	56%	0.561	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-21.9	178.5	-73.6	170.2	65.3	0	0	113.4	P238 G544 Q545 L546	P238-Q548 HydrophobicContact CG-CB 4.18Å; G544-Q548 WeakPolarHBondContact O-CG 3.45Å; G544-Q548 PolarHBondContact O-NE2 2.85Å; Q545-Q548 PolarHBondContact O-N 3.48Å; L546-Q548 PolarHBondContact O-N 3.17Å
549	I	94.8	Very high	93.8	Very high	30 Å²	30	41.7 Å²	41.7	15%	0.154	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	21.7	-178.2	57.4	167	0	0	0	111.8	I235 L237 P238 L546 E547 D551 S552 L553	I235-I549 HydrophobicContact CG2-CD1 3.92Å; L237-I549 HydrophobicContact CD2-CD1 3.61Å; P238-I549 HydrophobicContact CG-CG2 4.11Å; L546-I549 HydrophobicContact CD2-CD1 4.37Å; L546-I549 CarbonylContact O-C 3.38Å; L546-I549 WeakPolarHBondContact O-CG1 3.27Å; L546-I549 PolarHBondContact O-N 2.95Å; L546-I549 VanDerWaalsContact O-N 3.08Å; E547-I549 PolarHBondContact O-N 2.58Å; I549-D551 PolarHBondContact O-N 3.4Å; I549-D551 VanDerWaalsContact O-N 3.07Å; I549-S552 PolarHBondContact O-N 3.22Å; I549-L553 HydrophobicContact CD1-CD2 3.87Å; I549-L553 HydrophobicContact CG1-CD2 4.16Å; I549-L553 HydrophobicContact CG1-CG 4.28Å; I549-L553 PolarHBondContact O-N 2.85Å
550	S	92.1	Very high	93.5	Very high	17 Å²	17	41.7 Å²	41.7	12%	0.119	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-49.9	-40.7	-172.9	-169.2	0	0	0	0	112.9	L546 E547 S552 L553 Q558 H562	L546-S550 PolarHBondContact O-N 3.12Å; L546-S550 VanDerWaalsContact O-N 3.15Å; E547-S550 WeakPolarHBondContact O-CB 3.03Å; E547-S550 PolarHBondContact O-N 3.11Å; S550-S552 PolarHBondContact O-N 3.17Å; S550-L553 PolarHBondContact O-N 2.77Å; S550-Q558 VanDerWaalsContact O-CD 3.3Å; S550-Q558 WeakPolarHBondContact O-CG 3.27Å; S550-Q558 PolarHBondContact O-NE2 2.85Å; S550-H562 PolarHBondContact OG-NE2 3.4Å
551	D	90.1	Very high	93.4	Very high	158 Å²	158	41.1 Å²	41.1	85%	0.845	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-66.9	-21.7	-178.8	-61.2	-27.4	0	0	0	114	I549	I549-D551 PolarHBondContact O-N 3.4Å; I549-D551 VanDerWaalsContact O-N 3.07Å
552	S	90.8	Very high	93.1	Very high	86 Å²	86	46.5 Å²	46.5	60%	0.601	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-96.7	-10.4	179.9	-58.4	0	0	0	0	113.2	I549 S550	I549-S552 PolarHBondContact O-N 3.22Å; S550-S552 PolarHBondContact O-N 3.17Å
553	L	91	Very high	92.6	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.037	26%	0.258	C	S	.	.	S	Bend	trans	-76.6	152.2	-179.7	-64.4	178.2	0	0	0	111.1	I235 I440 L546 I549 S550 V557 Q558 I561	I235-L553 HydrophobicContact CD1-CD2 3.91Å; I440-L553 HydrophobicContact CG2-CD2 3.87Å; L546-L553 HydrophobicContact CB-CD1 3.97Å; L546-L553 HydrophobicContact CD2-CD1 4.25Å; L546-L553 HydrophobicContact CD2-CD2 4.06Å; L546-L553 WeakPolarHBondContact O-CD1 3.4Å; I549-L553 HydrophobicContact CD1-CD2 3.87Å; I549-L553 HydrophobicContact CG1-CD2 4.16Å; I549-L553 HydrophobicContact CG1-CG 4.28Å; I549-L553 PolarHBondContact O-N 2.85Å; S550-L553 PolarHBondContact O-N 2.77Å; L553-V557 HydrophobicContact CB-CB 4.46Å; L553-V557 HydrophobicContact CD1-CG1 4.02Å; L553-Q558 HydrophobicContact CB-CG 4.03Å; L553-Q558 PolarHBondContact O-NE2 2.72Å; L553-I561 HydrophobicContact CD1-CD1 3.66Å
554	P	89.2	Confident	92	Very high	38 Å²	38	51.7 Å²	51.7	25%	0.247	28%	0.279	C	S	.	.			trans	-59.8	149.4	169.4	-18.8	31.1	0	0	0	111.3	P232 I440 S556 V557 Q558	P232-P554 HydrophobicContact CB-CG 4.23Å; P232-P554 HydrophobicContact CG-CG 4.4Å; I440-P554 HydrophobicContact CD1-CG 3.82Å; I440-P554 HydrophobicContact CG1-CG 4.33Å; P554-S556 PolarHBondContact O-N 3.23Å; P554-S556 VanDerWaalsContact O-N 3.16Å; P554-V557 PolarHBondContact O-N 2.63Å; P554-Q558 PolarHBondContact O-N 3.15Å
555	H	88.3	Confident	91.3	Very high	127 Å²	127	51.2 Å²	51.2	59%	0.588	27%	0.274	S	S	*	.	H	α-helix	trans	-53.3	-37.9	178.6	-72.1	-54.4	0	0	0	113.1	V557 Q558 D559	H555-V557 VanDerWaalsContact C-N 3.25Å; H555-V557 PolarHBondContact O-N 2.96Å; H555-Q558 PolarHBondContact O-N 3.4Å; H555-D559 WeakPolarHBondContact O-CB 3.27Å; H555-D559 VanDerWaalsContact O-CG 3.3Å; H555-D559 PolarHBondContact O-N 3.38Å
556	S	85.7	Confident	90.2	Very high	59 Å²	59	53.6 Å²	53.6	41%	0.413	29%	0.287	S	S	.	.	H	α-helix	trans	-57.4	-37.2	176.4	55.1	0	0	0	0	113	P554 I560	P554-S556 PolarHBondContact O-N 3.23Å; P554-S556 VanDerWaalsContact O-N 3.16Å; S556-I560 VanDerWaalsContact O-CG1 3.28Å; S556-I560 WeakPolarHBondContact O-CG1 3.09Å; S556-I560 PolarHBondContact O-N 3.41Å
557	V	92.2	Very high	88.6	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-82.5	-35	178.2	-177.8	0	0	0	0	111.7	L437 I440 L553 P554 H555 D559 I560 I561	L437-V557 HydrophobicContact CD1-CG1 4.23Å; I440-V557 HydrophobicContact CG1-CG2 3.82Å; L553-V557 HydrophobicContact CB-CB 4.46Å; L553-V557 HydrophobicContact CD1-CG1 4.02Å; P554-V557 PolarHBondContact O-N 2.63Å; H555-V557 VanDerWaalsContact C-N 3.25Å; H555-V557 PolarHBondContact O-N 2.96Å; V557-D559 VanDerWaalsContact C-N 3.28Å; V557-D559 PolarHBondContact O-N 3.2Å; V557-I560 WeakPolarHBondContact O-CB 3.29Å; V557-I560 PolarHBondContact O-N 3.17Å; V557-I561 HydrophobicContact CG1-CD1 4.43Å; V557-I561 WeakPolarHBondContact O-CG1 3.33Å; V557-I561 PolarHBondContact O-N 3.32Å; V557-I561 VanDerWaalsContact O-N 3.13Å
558	Q	93.1	Very high	86.7	Confident	42 Å²	42	51.7 Å²	51.7	20%	0.196	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-40.8	171.5	-63.6	-178.2	24.9	0	0	111.4	S550 L553 P554 H555 I560 I561 H562	S550-Q558 VanDerWaalsContact O-CD 3.3Å; S550-Q558 WeakPolarHBondContact O-CG 3.27Å; S550-Q558 PolarHBondContact O-NE2 2.85Å; L553-Q558 HydrophobicContact CB-CG 4.03Å; L553-Q558 PolarHBondContact O-NE2 2.72Å; P554-Q558 PolarHBondContact O-N 3.15Å; H555-Q558 PolarHBondContact O-N 3.4Å; Q558-I560 VanDerWaalsContact C-N 3.31Å; Q558-I560 PolarHBondContact O-N 2.86Å; Q558-I561 PolarHBondContact O-N 2.94Å; Q558-H562 PolarHBondContact O-CD2 2.88Å; Q558-H562 PolarHBondContact O-N 2.71Å
559	D	91.2	Very high	84.2	Confident	82 Å²	82	48.5 Å²	48.5	44%	0.439	27%	0.271	S	S	.	.	H	α-helix	trans	-66.3	-31.4	176.7	-73.7	-18.8	0	0	0	112.1	H555 V557 G563	H555-D559 WeakPolarHBondContact O-CB 3.27Å; H555-D559 VanDerWaalsContact O-CG 3.3Å; H555-D559 PolarHBondContact O-N 3.38Å; V557-D559 VanDerWaalsContact C-N 3.28Å; V557-D559 PolarHBondContact O-N 3.2Å; D559-G563 WeakPolarHBondContact O-CA 3.39Å; D559-G563 PolarHBondContact O-N 3.31Å
560	I	93.2	Very high	81.7	Confident	1 Å²	1	57 Å²	57	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-42.9	172.2	-63.4	163.3	0	0	0	110.3	Q433 T490 N492 I495 F496 S556 V557 Q558	Q433-I560 HydrophobicContact CB-CD1 3.59Å; Q433-I560 HydrophobicContact CB-CG1 3.81Å; Q433-I560 HydrophobicContact CG-CD1 3.92Å; Q433-I560 HydrophobicContact CG-CG1 3.71Å; Q433-I560 VanDerWaalsContact O-CD1 3.31Å; Q433-I560 WeakPolarHBondContact O-CD1 3.32Å; T490-I560 PolarHBondContact OG1-O 3.36Å; N492-I560 HydrophobicContact CB-CG2 4.12Å; N492-I560 WeakPolarHBondContact CB-O 3.49Å; N492-I560 PolarHBondContact ND2-O 3.29Å; I495-I560 HydrophobicContact CB-CG2 4.5Å; I495-I560 HydrophobicContact CG2-CG2 4.35Å; F496-I560 HydrophobicContact CE2-CG2 3.77Å; F496-I560 HydrophobicContact CZ-CG2 3.95Å; S556-I560 VanDerWaalsContact O-CG1 3.28Å; S556-I560 WeakPolarHBondContact O-CG1 3.09Å; S556-I560 PolarHBondContact O-N 3.41Å; V557-I560 WeakPolarHBondContact O-CB 3.29Å; V557-I560 PolarHBondContact O-N 3.17Å; Q558-I560 VanDerWaalsContact C-N 3.31Å; Q558-I560 PolarHBondContact O-N 2.86Å
561	I	94.8	Very high	79	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-68.2	-55.5	-178.6	-63.2	166.3	0	0	0	110.7	T490 F496 L543 L546 E547 L553 V557 Q558	T490-I561 VanDerWaalsContact CB-O 3.25Å; T490-I561 WeakPolarHBondContact CB-O 3.4Å; T490-I561 PolarHBondContact OG1-O 2.86Å; F496-I561 HydrophobicContact CE1-CG1 4.46Å; F496-I561 HydrophobicContact CZ-CG1 3.74Å; L543-I561 HydrophobicContact CD1-CG1 4.34Å; L543-I561 HydrophobicContact CD1-CG2 3.99Å; L546-I561 HydrophobicContact CB-CD1 3.95Å; E547-I561 HydrophobicContact CG-CG2 3.95Å; L553-I561 HydrophobicContact CD1-CD1 3.66Å; V557-I561 HydrophobicContact CG1-CD1 4.43Å; V557-I561 WeakPolarHBondContact O-CG1 3.33Å; V557-I561 PolarHBondContact O-N 3.32Å; V557-I561 VanDerWaalsContact O-N 3.13Å; Q558-I561 PolarHBondContact O-N 2.94Å
562	H	92.4	Very high	76.2	Confident	119 Å²	119	59.5 Å²	59.5	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-105.5	-15.7	-167.2	-57	-65.8	0	0	0	114.2	S550 Q558	S550-H562 PolarHBondContact OG-NE2 3.4Å; Q558-H562 PolarHBondContact O-CD2 2.88Å; Q558-H562 PolarHBondContact O-N 2.71Å
563	G	87.3	Confident	73.1	Confident	20 Å²	20	62.3 Å²	62.3	21%	0.206	32%	0.322	C	S	.	.	S	Bend	trans	-76.9	177.3	-174.9	0	0	0	0	0	113.4	D559	D559-G563 WeakPolarHBondContact O-CA 3.39Å; D559-G563 PolarHBondContact O-N 3.31Å
564	Q	86	Confident	70	Confident	95 Å²	95	68.1 Å²	68.1	44%	0.444	35%	0.353	S	S	.	.			trans	-70.1	150.9	172.2	-65	-56.4	-37.6	0	0	110.3	N492 S569	N492-Q564 PolarHBondContact ND2-O 3.37Å; Q564-S569 WeakPolarHBondContact CB-OG 3.46Å
565	S	82	Confident	67.1	Low	0 Å²	0	75.3 Å²	75.3	0%	0	38%	0.376	C	S	.	.			trans	-81	133.3	173.4	-177.6	0	0	0	0	111.6	N492 H494 A567 T568 S569	N492-S565 WeakPolarHBondContact OD1-CA 3.3Å; N492-S565 WeakPolarHBondContact OD1-CB 3.21Å; N492-S565 PolarHBondContact OD1-OG 3.38Å; H494-S565 PolarHBondContact CE1-OG 2.91Å; S565-A567 PolarHBondContact O-N 3.41Å; S565-A567 PolarHBondContact OG-N 2.85Å; S565-T568 VanDerWaalsContact CB-OG1 3.23Å; S565-T568 WeakPolarHBondContact CB-OG1 3.32Å; S565-T568 PolarHBondContact O-N 3.31Å; S565-T568 PolarHBondContact OG-N 2.97Å; S565-S569 WeakPolarHBondContact O-CA 3.41Å; S565-S569 WeakPolarHBondContact O-CB 3.34Å; S565-S569 PolarHBondContact O-N 3.23Å
566	L	73.7	Confident	64.1	Low	65 Å²	65	78.7 Å²	78.7	34%	0.34	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-28.3	175.2	-62.8	176.1	0	0	0	112.3	S418 E429 Q430	S418-L566 WeakPolarHBondContact CB-O 3.35Å; S418-L566 PolarHBondContact OG-O 3.49Å; E429-L566 HydrophobicContact CB-CD1 3.66Å; E429-L566 HydrophobicContact CG-CD1 3.23Å; Q430-L566 HydrophobicContact CG-CB 4.31Å
567	A	61.8	Low	61.3	Low	2 Å²	2	84.4 Å²	84.4	2%	0.017	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-57.9	166.3	0	0	0	0	0	109.4	R415 L416 S418 S565 S569	R415-A567 CarbonylContact C-O 3.56Å; R415-A567 CarbonylContact O-C 3.57Å; L416-A567 HydrophobicContact CD2-CB 4.18Å; S418-A567 PolarHBondContact OG-O 3.29Å; S565-A567 PolarHBondContact O-N 3.41Å; S565-A567 PolarHBondContact OG-N 2.85Å; A567-S569 PolarHBondContact O-N 3.19Å
568	T	56.3	Low	58.2	Low	16 Å²	16	93.6 Å²	93.6	10%	0.098	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.8	-163.6	87.2	0	0	0	0	116.7	R415 S565 R570	R415-T568 HydrophobicContact CB-CG2 4.22Å; R415-T568 VanDerWaalsContact O-CA 3.3Å; R415-T568 WeakPolarHBondContact O-CA 3.46Å; R415-T568 PolarHBondContact O-N 3.25Å; S565-T568 VanDerWaalsContact CB-OG1 3.23Å; S565-T568 WeakPolarHBondContact CB-OG1 3.32Å; S565-T568 PolarHBondContact O-N 3.31Å; S565-T568 PolarHBondContact OG-N 2.97Å; T568-R570 PolarHBondContact O-N 3.06Å
569	S	43.1	Very low	55	Low	53 Å²	53	98.7 Å²	98.7	37%	0.371	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	82.6	-168.4	-174.1	0	0	0	0	113.4	Q564 S565 A567	Q564-S569 WeakPolarHBondContact CB-OG 3.46Å; S565-S569 WeakPolarHBondContact O-CA 3.41Å; S565-S569 WeakPolarHBondContact O-CB 3.34Å; S565-S569 PolarHBondContact O-N 3.23Å; A567-S569 PolarHBondContact O-N 3.19Å
570	R	42.6	Very low	52	Low	207 Å²	207	101.1 Å²	101.1	78%	0.781	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.4	-6.9	146.2	-79.3	-160.1	176	162.8	-0.8	117.2	T568	T568-R570 PolarHBondContact O-N 3.06Å
571	H	34.9	Very low	48.8	Very low	105 Å²	105	106.6 Å²	106.6	49%	0.486	53%	0.534	S	S	.	.			trans	-140.2	95	-178.9	-78.1	-69.3	0	0	0	114.7
572	V	30.8	Very low	45.5	Very low	123 Å²	123	112 Å²	112	75%	0.745	57%	0.571	S	S	*	*	S	Bend	trans	-131.3	-11.3	150.9	178.6	0	0	0	0	112.3
573	N	26.1	Very low	42.4	Very low	146 Å²	146	113.2 Å²	113.2	78%	0.781	59%	0.587	S	S	*	*			trans	-119.5	85.8	179	-75.2	-21.5	0	0	0	111.6
574	D	26.3	Very low	39.4	Very low	128 Å²	128	121.2 Å²	121.2	68%	0.684	62%	0.619	S	S	*	*			trans	-132.8	49.2	158.4	-120.6	-13	0	0	0	110
575	Y	27	Very low	36.6	Very low	190 Å²	190	127.4 Å²	127.4	75%	0.745	64%	0.638	S	S	*	*	S	Bend	trans	-149.6	77.1	166.6	-73.8	-74.5	0	0	0	109.3
576	K	25.8	Very low	33.9	Very low	198 Å²	198	133.4 Å²	133.4	86%	0.861	68%	0.68	S	S	*	*	S	Bend	trans	137.6	122.7	169.9	-83	164.6	-175.8	-174.5	0	107.8
577	E	27.6	Very low	31.7	Very low	178 Å²	178	134.9 Å²	134.9	83%	0.832	70%	0.696	S	S	*	*			cis	-152.2	144	19.6	-92.8	168.2	159	0	0	109.1
578	K	26.9	Very low	29.9	Very low	195 Å²	195	140.6 Å²	140.6	85%	0.848	74%	0.736	S	S	*	*			trans	-79.8	123.7	160	-77.5	177.9	174.9	176.7	0	108.5
579	N	25.1	Very low	28.6	Very low	148 Å²	148	145.4 Å²	145.4	79%	0.791	76%	0.76	S	S	*	*			trans	138.9	100.5	147.1	-73.4	-21.9	0	0	0	112.3
580	T	27.9	Very low	28.1	Very low	134 Å²	134	150.9 Å²	150.9	82%	0.822	77%	0.773	S	S	*	*				-175.4	153.2	126.3	17.2	0	0	0	0	112.2
581	S	26	Very low	27.5	Very low	116 Å²	116	149.7 Å²	149.7	81%	0.811	78%	0.782	S	S	*	*			trans	-68.6	136.7	-162.1	51.9	0	0	0	0	116.9
582	C	25.3	Very low	27.9	Very low	114 Å²	114	148.8 Å²	148.8	77%	0.77	78%	0.776	S	S	*	*			trans	-83.6	138.4	174.7	-70.5	0	0	0	0	113.8
583	T	27.9	Very low	29	Very low	145 Å²	145	145.5 Å²	145.5	89%	0.89	76%	0.758	S	S	*	*			trans	-113.6	132.2	155.2	21.9	0	0	0	0	109.3
584	E	24.6	Very low	30.5	Very low	187 Å²	187	140.2 Å²	140.2	87%	0.874	73%	0.731	S	S	*	*			trans	-71.9	137.7	-168.8	-60.4	170	159.6	0	0	113.8
585	R	27.5	Very low	32	Very low	225 Å²	225	135.9 Å²	135.9	85%	0.849	71%	0.71	S	S	*	*			trans	-147.2	111.7	150	-97.2	-173.7	-174.9	-167.2	-0.1	110.3
586	S	24.9	Very low	33.4	Very low	126 Å²	126	128.5 Å²	128.5	88%	0.881	68%	0.683	S	S	*	*			trans	-76	132.9	172.8	-48.6	0	0	0	0	111.4
587	S	26.7	Very low	35.2	Very low	96 Å²	96	119 Å²	119	67%	0.671	64%	0.642	S	S	*	*			trans	-140.7	118	159.7	57.9	0	0	0	0	110
588	S	25	Very low	37.2	Very low	123 Å²	123	110.6 Å²	110.6	86%	0.86	60%	0.602	S	S	*	*			trans	-65.1	120.7	173.7	52.2	0	0	0	0	111.4
589	I	29.5	Very low	39.2	Very low	117 Å²	117	106.2 Å²	106.2	60%	0.6	59%	0.585	S	S	*	*			trans	-144.2	119.1	-179	-77	-169.6	0	0	0	110.4
590	Y	32.7	Very low	41.3	Very low	167 Å²	167	103 Å²	103	66%	0.655	57%	0.565	S	S	*	*			trans	81.1	100.5	164.3	-52.6	-53.3	0	0	0	122.7	E423 Y592	E423-Y590 WeakPolarHBondContact OE1-CE1 3.36Å; Y590-Y592 PolarHBondContact O-N 2.99Å
591	D	29	Very low	43.2	Very low	182 Å²	182	96.6 Å²	96.6	97%	0.973	53%	0.526	S	S	*	.			trans	-83	76.3	148.9	-88.5	-34.3	0	0	0	109.6
592	Y	42.9	Very low	45.4	Very low	87 Å²	87	94.2 Å²	94.2	34%	0.341	50%	0.502	S	S	.	.			trans	-115.5	121.3	166.2	-166.9	-91.4	0	0	0	108.6	G422 Y590 P594 L597 E600	G422-Y592 VanDerWaalsContact O-CE1 3.25Å; G422-Y592 WeakPolarHBondContact O-CE1 3.18Å; Y590-Y592 PolarHBondContact O-N 2.99Å; Y592-P594 WeakPolarHBondContact O-CD 3.5Å; Y592-L597 HydrophobicContact CE1-CB 4.1Å; Y592-L597 HydrophobicContact CE1-CD1 4.35Å; Y592-E600 PolarHBondContact OH-OE1 3.48Å; Y592-E600 PolarHBondContact OH-OE2 3.2Å
593	S	54	Low	47.4	Very low	54 Å²	54	92.5 Å²	92.5	38%	0.378	49%	0.488	S	S	.	.			trans	-79.7	120.3	-174.5	-172.7	0	0	0	0	110.5	T595 L596	S593-T595 PolarHBondContact O-N 3.14Å; S593-T595 PolarHBondContact OG-OG1 2.99Å; S593-T595 VanDerWaalsContact OG-OG1 3.06Å; S593-L596 WeakPolarHBondContact O-CB 3.42Å; S593-L596 PolarHBondContact O-N 3.21Å
594	P	58.3	Low	49.2	Very low	34 Å²	34	88.7 Å²	88.7	22%	0.221	46%	0.461	C	S	.	.	H	α-helix	trans	-53.7	-24.5	177.7	-28.2	36.3	0	0	0	114.5	L335 F385 Y592 L596 L597 N598	L335-P594 HydrophobicContact CD1-CG 4.18Å; F385-P594 HydrophobicContact CE1-CB 4.26Å; F385-P594 HydrophobicContact CZ-CB 4.38Å; Y592-P594 WeakPolarHBondContact O-CD 3.5Å; P594-L596 VanDerWaalsContact C-N 3.33Å; P594-L596 PolarHBondContact O-N 3Å; P594-L597 PolarHBondContact O-N 3.06Å; P594-N598 PolarHBondContact O-N 2.63Å
595	T	57.3	Low	51.2	Low	37 Å²	37	79.8 Å²	79.8	23%	0.227	42%	0.42	C	S	.	.	H	α-helix	trans	-60.1	-41.3	176.1	-25.9	0	0	0	0	112.3	F342 S593 N598 E599	F342-T595 HydrophobicContact CE2-CG2 3.85Å; F342-T595 HydrophobicContact CZ-CG2 3.85Å; S593-T595 PolarHBondContact O-N 3.14Å; S593-T595 PolarHBondContact OG-OG1 2.99Å; S593-T595 VanDerWaalsContact OG-OG1 3.06Å; T595-N598 PolarHBondContact O-N 3.12Å; T595-E599 PolarHBondContact O-N 3.44Å
596	L	56.2	Low	52.8	Low	35 Å²	35	71.8 Å²	71.8	18%	0.183	39%	0.394	C	S	.	.	H	α-helix	trans	-68.1	-38.8	-179.5	-73.4	162.5	0	0	0	111.6	F157 S593 P594 N598 E599 E600	F157-L596 HydrophobicContact CD1-CD2 3.83Å; F157-L596 HydrophobicContact CD2-CD2 4.06Å; F157-L596 HydrophobicContact CE1-CD1 4.23Å; F157-L596 HydrophobicContact CE1-CD2 3.25Å; F157-L596 HydrophobicContact CE1-CG 4.27Å; F157-L596 HydrophobicContact CE2-CD1 3.66Å; F157-L596 HydrophobicContact CE2-CD2 3.5Å; F157-L596 VanDerWaalsContact CE2-CD2 3.5Å; F157-L596 HydrophobicContact CE2-CG 4.17Å; F157-L596 HydrophobicContact CG-CD2 4.25Å; F157-L596 HydrophobicContact CZ-CD1 3.29Å; F157-L596 HydrophobicContact CZ-CD2 3.09Å; F157-L596 HydrophobicContact CZ-CG 3.75Å; S593-L596 WeakPolarHBondContact O-CB 3.42Å; S593-L596 PolarHBondContact O-N 3.21Å; P594-L596 VanDerWaalsContact C-N 3.33Å; P594-L596 PolarHBondContact O-N 3Å; L596-N598 VanDerWaalsContact C-N 3.3Å; L596-N598 PolarHBondContact O-N 2.81Å; L596-E599 PolarHBondContact O-N 3.47Å; L596-E600 WeakPolarHBondContact O-CG 3.38Å; L596-E600 PolarHBondContact O-N 3.08Å
597	L	63.2	Low	54	Low	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-61.4	-42.2	177	-164.7	63.2	0	0	0	111.4	F385 F420 L424 Y592 P594 E599 E600 L601	F385-L597 HydrophobicContact CD1-CB 4.34Å; F385-L597 HydrophobicContact CD1-CD2 3.61Å; F385-L597 HydrophobicContact CD1-CG 4.23Å; F385-L597 HydrophobicContact CE1-CB 4.05Å; F385-L597 HydrophobicContact CE1-CD2 3.33Å; F385-L597 HydrophobicContact CE1-CG 4.16Å; F385-L597 HydrophobicContact CZ-CD2 4.14Å; F420-L597 VanDerWaalsContact O-CD2 3.24Å; F420-L597 WeakPolarHBondContact O-CD2 3.46Å; L424-L597 HydrophobicContact CD1-CD1 4.03Å; L424-L597 HydrophobicContact CD2-CD1 3.98Å; L424-L597 HydrophobicContact CD2-CD2 4.41Å; L424-L597 HydrophobicContact CG-CD1 3.83Å; Y592-L597 HydrophobicContact CE1-CB 4.1Å; Y592-L597 HydrophobicContact CE1-CD1 4.35Å; P594-L597 PolarHBondContact O-N 3.06Å; L597-E599 VanDerWaalsContact C-N 3.33Å; L597-E599 PolarHBondContact O-N 3.04Å; L597-E600 PolarHBondContact O-N 3.26Å; L597-L601 HydrophobicContact CD2-CD1 4.47Å; L597-L601 HydrophobicContact CG-CD1 4.13Å; L597-L601 HydrophobicContact CG-CG 4.27Å; L597-L601 WeakPolarHBondContact O-CB 3.45Å; L597-L601 WeakPolarHBondContact O-CG 3.38Å; L597-L601 PolarHBondContact O-N 2.74Å
598	N	71	Confident	54.6	Low	1 Å²	1	72.1 Å²	72.1	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-64.7	-37.8	179.1	-85.6	-28.7	0	0	0	113	F342 Y384 F385 Q386 P594 T595 L596 L601 E602	F342-N598 HydrophobicContact CD1-CB 3.87Å; F342-N598 HydrophobicContact CD2-CB 4.07Å; F342-N598 VanDerWaalsContact CD2-ND2 3.32Å; F342-N598 WeakPolarHBondContact CD2-ND2 3.49Å; F342-N598 HydrophobicContact CE1-CB 3.52Å; F342-N598 HydrophobicContact CE2-CB 3.73Å; F342-N598 HydrophobicContact CG-CB 4.14Å; F342-N598 HydrophobicContact CZ-CB 3.44Å; F342-N598 VanDerWaalsContact CZ-CB 3.44Å; Y384-N598 PolarHBondContact O-ND2 2.71Å; Y384-N598 VanDerWaalsContact O-ND2 3.07Å; F385-N598 WeakPolarHBondContact CA-OD1 3.34Å; F385-N598 WeakPolarHBondContact CD1-OD1 3.34Å; Q386-N598 PolarHBondContact N-OD1 2.89Å; P594-N598 PolarHBondContact O-N 2.63Å; T595-N598 PolarHBondContact O-N 3.12Å; L596-N598 VanDerWaalsContact C-N 3.3Å; L596-N598 PolarHBondContact O-N 2.81Å; N598-L601 PolarHBondContact O-N 2.96Å; N598-E602 WeakPolarHBondContact O-CB 3.31Å; N598-E602 PolarHBondContact O-N 2.98Å
599	E	69.2	Low	55	Low	102 Å²	102	73 Å²	73	48%	0.477	37%	0.365	S	S	.	.	H	α-helix	trans	-64.8	-40.9	173.3	-67.2	175.7	-177.5	0	0	111.4	T595 L596 L597 E602 V603	T595-E599 PolarHBondContact O-N 3.44Å; L596-E599 PolarHBondContact O-N 3.47Å; L597-E599 VanDerWaalsContact C-N 3.33Å; L597-E599 PolarHBondContact O-N 3.04Å; E599-E602 WeakPolarHBondContact O-CB 3.4Å; E599-E602 PolarHBondContact O-N 3.26Å; E599-V603 PolarHBondContact O-N 3.39Å
600	E	67.5	Low	54.8	Low	81 Å²	81	75.7 Å²	75.7	38%	0.379	37%	0.373	S	S	.	.	H	α-helix	trans	-63.7	-43.8	174.2	-72	-179.7	-170.9	0	0	112	Y592 L596 L597 E602 V603 L604	Y592-E600 PolarHBondContact OH-OE1 3.48Å; Y592-E600 PolarHBondContact OH-OE2 3.2Å; L596-E600 WeakPolarHBondContact O-CG 3.38Å; L596-E600 PolarHBondContact O-N 3.08Å; L597-E600 PolarHBondContact O-N 3.26Å; E600-E602 VanDerWaalsContact C-N 3.28Å; E600-E602 PolarHBondContact O-N 3.42Å; E600-V603 PolarHBondContact O-N 3.14Å; E600-L604 VanDerWaalsContact O-CG 3.3Å; E600-L604 WeakPolarHBondContact O-CG 3.46Å; E600-L604 PolarHBondContact O-N 3.26Å; E600-L604 VanDerWaalsContact O-N 3.08Å
601	L	68.6	Low	54.7	Low	0 Å²	0	72 Å²	72	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-63.6	-35.2	176.2	-70.1	176.6	0	0	0	111.6	F385 Q386 F420 L424 F461 L465 L597 N598 L604 M605	F385-L601 HydrophobicContact CB-CD1 3.95Å; F385-L601 HydrophobicContact CD1-CD1 4.19Å; F385-L601 HydrophobicContact CG-CD1 4.48Å; Q386-L601 HydrophobicContact CB-CB 4.14Å; F420-L601 HydrophobicContact CD1-CD1 4.27Å; L424-L601 HydrophobicContact CD1-CD2 4.34Å; L424-L601 HydrophobicContact CD2-CD2 4.14Å; F461-L601 HydrophobicContact CE1-CD2 3.88Å; F461-L601 HydrophobicContact CZ-CD2 3.54Å; L465-L601 HydrophobicContact CD2-CD2 3.82Å; L597-L601 HydrophobicContact CD2-CD1 4.47Å; L597-L601 HydrophobicContact CG-CD1 4.13Å; L597-L601 HydrophobicContact CG-CG 4.27Å; L597-L601 WeakPolarHBondContact O-CB 3.45Å; L597-L601 WeakPolarHBondContact O-CG 3.38Å; L597-L601 PolarHBondContact O-N 2.74Å; N598-L601 PolarHBondContact O-N 2.96Å; L601-L604 PolarHBondContact O-N 3.45Å; L601-M605 VanDerWaalsContact O-CB 3.3Å; L601-M605 WeakPolarHBondContact O-CB 3.23Å; L601-M605 VanDerWaalsContact O-CG 3.25Å; L601-M605 WeakPolarHBondContact O-CG 3.26Å; L601-M605 PolarHBondContact O-N 3.44Å
602	E	71.5	Confident	54.7	Low	65 Å²	65	68.9 Å²	68.9	30%	0.304	35%	0.354	S	S	.	.	H	α-helix	trans	-56.7	-52.1	175.4	-164.3	166.5	-170.9	0	0	111.4	Q386 N598 E599 E600 L604 M605 D606	Q386-E602 VanDerWaalsContact CD-CA 3.47Å; Q386-E602 VanDerWaalsContact NE2-CA 3.34Å; Q386-E602 VanDerWaalsContact OE1-CA 3.25Å; Q386-E602 VanDerWaalsContact OE1-CG 3.25Å; N598-E602 WeakPolarHBondContact O-CB 3.31Å; N598-E602 PolarHBondContact O-N 2.98Å; E599-E602 WeakPolarHBondContact O-CB 3.4Å; E599-E602 PolarHBondContact O-N 3.26Å; E600-E602 VanDerWaalsContact C-N 3.28Å; E600-E602 PolarHBondContact O-N 3.42Å; E602-L604 VanDerWaalsContact C-N 3.34Å; E602-L604 PolarHBondContact O-N 2.9Å; E602-M605 PolarHBondContact O-N 2.9Å; E602-D606 WeakPolarHBondContact O-CB 3.44Å; E602-D606 PolarHBondContact O-N 3.43Å
603	V	68.1	Low	54.1	Low	78 Å²	78	71.2 Å²	71.2	47%	0.473	37%	0.373	S	S	.	.	H	α-helix	trans	-63.2	-39.7	178.7	177.4	0	0	0	0	112	E599 E600 L622	E599-V603 PolarHBondContact O-N 3.39Å; E600-V603 PolarHBondContact O-N 3.14Å; V603-L622 HydrophobicContact CG1-CD1 4.47Å; V603-L622 HydrophobicContact CG1-CD2 4.26Å
604	L	65.7	Low	53.1	Low	65 Å²	65	76.2 Å²	76.2	34%	0.34	39%	0.39	S	S	.	.	H	α-helix	trans	-72.9	-29.1	-178.3	-68.4	171.6	0	0	0	112.8	L424 F461 E600 L601 E602 N607	L424-L604 HydrophobicContact CD1-CD1 4.45Å; F461-L604 HydrophobicContact CD1-CB 3.6Å; F461-L604 HydrophobicContact CD1-CD1 4.14Å; F461-L604 HydrophobicContact CD1-CG 4.37Å; F461-L604 HydrophobicContact CD2-CD1 4.24Å; F461-L604 HydrophobicContact CE1-CB 3.5Å; F461-L604 HydrophobicContact CE1-CD1 3.66Å; F461-L604 HydrophobicContact CE1-CG 4.2Å; F461-L604 HydrophobicContact CE2-CD1 3.85Å; F461-L604 HydrophobicContact CG-CB 4.4Å; F461-L604 HydrophobicContact CG-CD1 4.41Å; F461-L604 HydrophobicContact CZ-CB 4.28Å; F461-L604 HydrophobicContact CZ-CD1 3.54Å; E600-L604 VanDerWaalsContact O-CG 3.3Å; E600-L604 WeakPolarHBondContact O-CG 3.46Å; E600-L604 PolarHBondContact O-N 3.26Å; E600-L604 VanDerWaalsContact O-N 3.08Å; L601-L604 PolarHBondContact O-N 3.45Å; E602-L604 VanDerWaalsContact C-N 3.34Å; E602-L604 PolarHBondContact O-N 2.9Å; L604-N607 PolarHBondContact O-ND2 3.14Å
605	M	66.2	Low	51.7	Low	0 Å²	0	82 Å²	82	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-88.1	-35.7	-179.9	-71	-169.3	60.5	0	0	113.5	Q386 D390 L465 I466 L601 E602 N607	Q386-M605 HydrophobicContact CG-SD 3.94Å; D390-M605 WeakPolarHBondContact OD2-CE 3.44Å; L465-M605 HydrophobicContact CD2-CG 4.15Å; L465-M605 HydrophobicContact CD2-SD 3.88Å; I466-M605 HydrophobicContact CD1-CE 4.03Å; I466-M605 HydrophobicContact CG2-CE 4.02Å; L601-M605 VanDerWaalsContact O-CB 3.3Å; L601-M605 WeakPolarHBondContact O-CB 3.23Å; L601-M605 VanDerWaalsContact O-CG 3.25Å; L601-M605 WeakPolarHBondContact O-CG 3.26Å; L601-M605 PolarHBondContact O-N 3.44Å; E602-M605 PolarHBondContact O-N 2.9Å; M605-N607 PolarHBondContact O-N 2.97Å; M605-N607 VanDerWaalsContact O-N 3.09Å
606	D	61.1	Low	50.2	Low	58 Å²	58	88.3 Å²	88.3	31%	0.31	45%	0.45	S	S	.	.			trans	-87.1	78.6	-177.5	-70.6	-24.2	0	0	0	110.7	R349 R470 E602	R349-D606 IonicContact CZ-OD2 3.88Å; R349-D606 IonicContact NH1-OD1 3.17Å; R349-D606 PolarHBondContact NH1-OD1 2.9Å; R349-D606 IonicContact NH1-OD2 3.56Å; R349-D606 PolarHBondContact NH1-OD2 3.22Å; R470-D606 IonicContact NH1-OD1 3.41Å; E602-D606 WeakPolarHBondContact O-CB 3.44Å; E602-D606 PolarHBondContact O-N 3.43Å
607	N	50.4	Low	48.8	Very low	63 Å²	63	92.2 Å²	92.2	34%	0.337	48%	0.475	S	S	.	.			trans	-115.1	51	164.9	-74.3	-63.4	0	0	0	109.9	N524 L604 M605	N524-N607 WeakPolarHBondContact ND2-CB 3.49Å; L604-N607 PolarHBondContact O-ND2 3.14Å; M605-N607 PolarHBondContact O-N 2.97Å; M605-N607 VanDerWaalsContact O-N 3.09Å
608	E	38.4	Very low	47	Very low	166 Å²	166	99.8 Å²	99.8	78%	0.776	52%	0.516	S	S	*	.			trans	-68.9	136	166.8	-70.4	-160.8	155.2	0	0	109.5	F610	E608-F610 PolarHBondContact O-N 3.46Å
609	M	33.4	Very low	45	Very low	140 Å²	140	108.2 Å²	108.2	69%	0.69	56%	0.555	S	S	*	*			trans	-51.9	122.4	-179	-79.9	-173.8	71.2	0	0	111.1	D611	M609-D611 PolarHBondContact O-N 2.97Å
610	F	27.3	Very low	42.9	Very low	175 Å²	175	109.5 Å²	109.5	77%	0.768	58%	0.575	S	S	*	*			trans	-59.1	115.8	154.8	-121.9	-90.8	0	0	0	108	E608 P612	E608-F610 PolarHBondContact O-N 3.46Å; F610-P612 WeakPolarHBondContact O-CD 3.49Å
611	D	28.7	Very low	41.1	Very low	89 Å²	89	111.9 Å²	111.9	48%	0.476	59%	0.589	S	S	.	*			trans	-63.7	123.6	165.4	-172.2	-21.4	0	0	0	107.6	M609 N613 E614	M609-D611 PolarHBondContact O-N 2.97Å; D611-N613 PolarHBondContact O-N 3.41Å; D611-N613 PolarHBondContact OD1-N 3.04Å; D611-N613 PolarHBondContact OD1-ND2 3.08Å; D611-E614 PolarHBondContact O-N 3.43Å
612	P	30.5	Very low	39.1	Very low	117 Å²	117	119.2 Å²	119.2	76%	0.76	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-7	178.9	-19.1	30.3	0	0	0	114.6	F610	F610-P612 WeakPolarHBondContact O-CD 3.49Å
613	N	30.3	Very low	36.9	Very low	136 Å²	136	122.9 Å²	122.9	73%	0.727	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	5.5	-174.3	-61.7	-53.9	0	0	0	115.5	D611	D611-N613 PolarHBondContact O-N 3.41Å; D611-N613 PolarHBondContact OD1-N 3.04Å; D611-N613 PolarHBondContact OD1-ND2 3.08Å
614	E	31.4	Very low	34.9	Very low	159 Å²	159	125.8 Å²	125.8	74%	0.743	66%	0.658	S	S	*	*	S	Bend	trans	-90.4	125	170.3	-82.2	-164.7	155.6	0	0	111.9	D611	D611-E614 PolarHBondContact O-N 3.43Å
615	D	28.9	Very low	33.1	Very low	154 Å²	154	127.7 Å²	127.7	82%	0.824	67%	0.674	S	S	*	*			trans	-53.1	139.3	-164	-90.3	-48.8	0	0	0	115.6	T617	D615-T617 VanDerWaalsContact C-N 3.32Å; D615-T617 PolarHBondContact O-N 2.89Å
616	I	27.3	Very low	31.2	Very low	171 Å²	171	132.8 Å²	132.8	88%	0.877	71%	0.71	S	S	*	*	S	Bend	trans	-62.8	84.8	171.3	-57.3	165.3	0	0	0	109
617	T	26.7	Very low	29.6	Very low	116 Å²	116	133.1 Å²	133.1	71%	0.712	72%	0.717	S	S	*	*	S	Bend	trans	-156.2	114.1	155	35.5	0	0	0	0	111	D615	D615-T617 VanDerWaalsContact C-N 3.32Å; D615-T617 PolarHBondContact O-N 2.89Å
618	N	25.8	Very low	28.7	Very low	159 Å²	159	135.9 Å²	135.9	85%	0.85	74%	0.741	S	S	*	*	S	Bend	trans	62	79.8	165.1	-62.6	-26.3	0	0	0	117.3
619	Q	27.6	Very low	28.1	Very low	178 Å²	178	135.3 Å²	135.3	83%	0.832	74%	0.743	S	S	*	*			trans	-156.5	135.3	141.3	-109	166	28.4	0	0	111.5	I621	Q619-I621 PolarHBondContact O-N 3.13Å
620	S	25.6	Very low	27.7	Very low	129 Å²	129	140.6 Å²	140.6	90%	0.902	76%	0.755	S	S	*	*			trans	-62.5	108.9	-175	-45.3	0	0	0	0	110.9	L622	S620-L622 PolarHBondContact O-N 3.14Å
621	I	29.8	Very low	27.6	Very low	132 Å²	132	140.4 Å²	140.4	68%	0.677	76%	0.757	S	S	*	*			trans	-62.3	128	177.7	-61	172.1	0	0	0	109.7	Q619 M623	Q619-I621 PolarHBondContact O-N 3.13Å; I621-M623 HydrophobicContact CB-CG 4.22Å; I621-M623 HydrophobicContact CG2-CG 3.85Å; I621-M623 PolarHBondContact O-N 3.48Å
622	L	25.7	Very low	27.4	Very low	154 Å²	154	145.1 Å²	145.1	81%	0.806	77%	0.774	S	S	*	*			trans	-56.6	84.8	156	-95.8	151.4	0	0	0	108.7	V603 S620	V603-L622 HydrophobicContact CG1-CD1 4.47Å; V603-L622 HydrophobicContact CG1-CD2 4.26Å; S620-L622 PolarHBondContact O-N 3.14Å
623	M	25.6	Very low	27.3	Very low	142 Å²	142	152.7 Å²	152.7	70%	0.7	80%	0.795	S	S	*	*			trans	-88.8	120.3	171.1	-76.2	-105.1	-135.5	0	0	108.3	I621 P625	I621-M623 HydrophobicContact CB-CG 4.22Å; I621-M623 HydrophobicContact CG2-CG 3.85Å; I621-M623 PolarHBondContact O-N 3.48Å; M623-P625 WeakPolarHBondContact O-CD 3.31Å
624	I	27.1	Very low	27.1	Very low	138 Å²	138	153.6 Å²	153.6	71%	0.708	80%	0.799	S	S	*	*			trans	-73.4	107.5	149.9	-60.1	175.4	0	0	0	105.1	S626	I624-S626 PolarHBondContact O-N 3.32Å
625	P	28.1	Very low	26.9	Very low	105 Å²	105	153.3 Å²	153.3	68%	0.682	80%	0.802	S	S	*	*			trans	-79.2	119.5	-169.2	-6.6	24.4	0	0	0	110.3	M623 S627	M623-P625 WeakPolarHBondContact O-CD 3.31Å; P625-S627 PolarHBondContact O-N 3.41Å; P625-S627 VanDerWaalsContact O-N 3.09Å
626	S	24.9	Very low	26.8	Very low	107 Å²	107	153.2 Å²	153.2	75%	0.748	80%	0.8	S	S	*	*			trans	-72.8	95.1	162.1	55.3	0	0	0	0	109.9	I624	I624-S626 PolarHBondContact O-N 3.32Å
627	S	29.2	Very low	26.7	Very low	66 Å²	66	152.2 Å²	152.2	46%	0.462	80%	0.796	S	S	.	*			trans	25.3	123.9	160.7	62.8	0	0	0	0	120.4	P625	P625-S627 PolarHBondContact O-N 3.41Å; P625-S627 VanDerWaalsContact O-N 3.09Å
628	S	29.5	Very low	26.7	Very low	120 Å²	120	154.4 Å²	154.4	84%	0.839	80%	0.801	S	S	*	*			trans	-161.6	111.9	145.9	-75.2	0	0	0	0	112.4
629	N	26.4	Very low	26.8	Very low	155 Å²	155	154.1 Å²	154.1	83%	0.829	80%	0.798	S	S	*	*			trans	26	121.7	149.7	-68.8	-29.7	0	0	0	120.6
630	R	26.2	Very low	26.7	Very low	250 Å²	250	152.4 Å²	152.4	94%	0.943	80%	0.795	S	S	*	*				-178.9	158.7	110.1	-97.7	174	-165.1	-158.9	5.3	114
631	Q	24.8	Very low	26.8	Very low	172 Å²	172	154.2 Å²	154.2	80%	0.804	79%	0.787	S	S	*	*			trans	-75.9	146.9	-164.2	-71.5	164	-45.1	0	0	116.2
632	F	25	Very low	26.6	Very low	187 Å²	187	156.1 Å²	156.1	82%	0.82	80%	0.796	S	S	*	*			trans	41	126.1	144.1	-74.7	-84.5	0	0	0	121.6
633	F	26.5	Very low	26.7	Very low	277 Å²	277	156.3 Å²	156.3	100%	1.215	80%	0.795	S	S	*	*				-146.2	0	114.2	-104.6	-77.1	0	0	0	110.9

Retrieved 633 of 633 residues in 448.1 ms (Link to these results)

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