A0A077YWY8_TRITR Loading...

Myotubularin protein 2

AlphaFold DB , UniProt , Accession A0A077YWY8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 673 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	32.6	Very low	29.1	Very low	241 Å²	241	139.7 Å²	139.7	100%	1.187	82%	0.822	S	S	*	*				0	103.9	0	-76	178.6	-167.1	0	0	107.1
2	T	26.2	Very low	29	Very low	137 Å²	137	139 Å²	139	84%	0.84	82%	0.819	S	S	*	*			trans	-86.6	117.2	178.3	-27.9	0	0	0	0	106.7
3	V	28.1	Very low	29.5	Very low	100 Å²	100	134.4 Å²	134.4	61%	0.606	79%	0.788	S	S	*	*			trans	-121.6	110.8	172.8	-168.5	0	0	0	0	107.8	F5	V3-F5 HydrophobicContact CB-CE2 4.1Å; V3-F5 HydrophobicContact CG1-CD2 3.87Å; V3-F5 HydrophobicContact CG1-CE1 4.5Å; V3-F5 HydrophobicContact CG1-CE2 3.27Å; V3-F5 HydrophobicContact CG1-CZ 3.64Å
4	N	24.9	Very low	29.5	Very low	150 Å²	150	134.4 Å²	134.4	80%	0.802	78%	0.782	S	S	*	*			trans	-77.6	131.7	169.6	-67.9	-34.2	0	0	0	108.6
5	F	31.5	Very low	29.5	Very low	179 Å²	179	134.7 Å²	134.7	79%	0.785	79%	0.79	S	S	*	*			trans	-122.7	118.6	164.9	-75.5	-77.8	0	0	0	109.5	V3	V3-F5 HydrophobicContact CB-CE2 4.1Å; V3-F5 HydrophobicContact CG1-CD2 3.87Å; V3-F5 HydrophobicContact CG1-CE1 4.5Å; V3-F5 HydrophobicContact CG1-CE2 3.27Å; V3-F5 HydrophobicContact CG1-CZ 3.64Å
6	E	27.9	Very low	29.7	Very low	200 Å²	200	131.1 Å²	131.1	94%	0.935	79%	0.791	S	S	*	*			trans	-67	135.7	168.6	-74.3	178.1	143.2	0	0	110.3
7	V	32.5	Very low	29.7	Very low	143 Å²	143	131.5 Å²	131.5	87%	0.867	78%	0.782	S	S	*	*			trans	-96.4	105.2	-178.5	-179.4	0	0	0	0	109.5
8	G	27.1	Very low	29.8	Very low	65 Å²	65	132.9 Å²	132.9	67%	0.67	78%	0.779	S	S	*	*			trans	-129.9	127.5	162.5	0	0	0	0	0	109.5
9	A	30.3	Very low	30	Very low	103 Å²	103	131.4 Å²	131.4	85%	0.851	77%	0.767	S	S	*	*	S	Bend	trans	68.7	108.9	170.3	0	0	0	0	0	118.7
10	G	28.4	Very low	29.9	Very low	72 Å²	72	130.5 Å²	130.5	74%	0.742	76%	0.763	S	S	*	*			trans	66.3	92.2	145.6	0	0	0	0	0	117.8	V12	G10-V12 PolarHBondContact O-N 2.74Å; G10-V12 VanDerWaalsContact O-N 3.14Å
11	I	30.2	Very low	30	Very low	147 Å²	147	127.1 Å²	127.1	75%	0.754	74%	0.741	S	S	*	*			trans	-74.3	105.6	168	-57.3	176.9	0	0	0	109.1	L13	I11-L13 HydrophobicContact CG2-CD2 3.66Å; I11-L13 HydrophobicContact CG2-CG 3.79Å
12	V	28.4	Very low	29.7	Very low	131 Å²	131	124.4 Å²	124.4	79%	0.794	73%	0.725	S	S	*	*			trans	-85.1	105	159.8	177.6	0	0	0	0	106.9	G10 L14	G10-V12 PolarHBondContact O-N 2.74Å; G10-V12 VanDerWaalsContact O-N 3.14Å; V12-L14 PolarHBondContact O-N 3.46Å
13	L	35.3	Very low	29.7	Very low	79 Å²	79	120.4 Å²	120.4	41%	0.414	71%	0.711	S	S	.	*			trans	-77	123.6	172.9	-70.3	174.1	0	0	0	110	I11 E17 I19	I11-L13 HydrophobicContact CG2-CD2 3.66Å; I11-L13 HydrophobicContact CG2-CG 3.79Å; L13-E17 WeakPolarHBondContact CD2-OE2 3.43Å; L13-I19 HydrophobicContact CD1-CD1 4Å
14	L	30.3	Very low	29.7	Very low	134 Å²	134	120 Å²	120	70%	0.702	71%	0.713	S	S	*	*			trans	-65.9	155.7	171.1	-68.8	168.1	0	0	0	110.4	V12 G16	V12-L14 PolarHBondContact O-N 3.46Å; L14-G16 PolarHBondContact O-N 2.76Å
15	P	28.3	Very low	29.8	Very low	139 Å²	139	120.9 Å²	120.9	90%	0.903	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	104.7	179	-6.2	20.7	0	0	0	110
16	G	33.4	Very low	29.9	Very low	78 Å²	78	113.2 Å²	113.2	80%	0.804	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	148.1	-11.8	174.4	0	0	0	0	0	117.1	L14	L14-G16 PolarHBondContact O-N 2.76Å
17	E	29.8	Very low	30.1	Very low	138 Å²	138	105.1 Å²	105.1	65%	0.645	65%	0.645	S	S	*	*			trans	-95.9	117.8	-179.1	-65.7	-172.5	157.5	0	0	111.9	L13	L13-E17 WeakPolarHBondContact CD2-OE2 3.43Å
18	E	31.4	Very low	30.3	Very low	156 Å²	156	101 Å²	101	73%	0.729	62%	0.618	S	S	*	*			trans	-90.7	122.8	176.8	-77	-176.8	164.5	0	0	111.1
19	I	32.7	Very low	30.9	Very low	105 Å²	105	99.3 Å²	99.3	54%	0.538	60%	0.595	S	S	.	*			trans	-95.4	108.3	165.3	-60.9	175	0	0	0	108.1	L13 I21	L13-I19 HydrophobicContact CD1-CD1 4Å; I19-I21 HydrophobicContact CG2-CG1 4.4Å; I19-I21 PolarHBondContact O-N 3.38Å
20	V	28.5	Very low	31.3	Very low	113 Å²	113	99.8 Å²	99.8	69%	0.685	58%	0.575	S	S	*	*			trans	-79.7	110.4	178.3	-179.8	0	0	0	0	110.2
21	I	32.5	Very low	32.3	Very low	60 Å²	60	101.3 Å²	101.3	31%	0.308	56%	0.563	S	S	.	*			trans	-96.4	107.3	174	-56.4	176.2	0	0	0	109.4	I19 G23 L34 T60	I19-I21 HydrophobicContact CG2-CG1 4.4Å; I19-I21 PolarHBondContact O-N 3.38Å; I21-G23 PolarHBondContact O-N 3.39Å; I21-L34 WeakPolarHBondContact O-CD1 3.38Å; I21-T60 HydrophobicContact CD1-CG2 4.34Å
22	Q	25.5	Very low	33.4	Very low	183 Å²	183	94.8 Å²	94.8	86%	0.855	53%	0.53	S	S	*	.			trans	-75.4	119.4	171.1	-72.3	-176.3	-9.3	0	0	110.7
23	G	27.3	Very low	34.5	Very low	53 Å²	53	90.5 Å²	90.5	55%	0.546	50%	0.502	S	S	.	.			trans	-137.9	139.4	179.9	0	0	0	0	0	113.9	I21	I21-G23 PolarHBondContact O-N 3.39Å
24	S	27.1	Very low	35.5	Very low	92 Å²	92	91 Å²	91	64%	0.643	51%	0.505	S	S	*	.			trans	-90.9	135.9	-165.4	58.6	0	0	0	0	116.7
25	K	27.1	Very low	36.7	Very low	168 Å²	168	90 Å²	90	73%	0.73	50%	0.499	S	S	*	.			trans	-9.8	96.8	165.7	-56.9	174.6	-177.8	177.5	0	122.3
26	T	33.5	Very low	38.5	Very low	19 Å²	19	83.7 Å²	83.7	12%	0.117	46%	0.458	C	S	.	.			trans	-144.7	154.3	150.6	52.4	0	0	0	0	114.1	L28 S29 R30 K132	T26-L28 PolarHBondContact O-N 3.45Å; T26-L28 VanDerWaalsContact O-N 3.11Å; T26-S29 CarbonylContact O-C 3.53Å; T26-S29 PolarHBondContact O-N 3.11Å; T26-S29 PolarHBondContact O-OG 2.85Å; T26-S29 PolarHBondContact OG1-OG 3.19Å; T26-R30 WeakPolarHBondContact O-CB 3.28Å; T26-R30 VanDerWaalsContact O-CG 3.3Å; T26-R30 WeakPolarHBondContact O-CG 3.29Å; T26-R30 PolarHBondContact O-N 3.19Å; T26-K132 HydrophobicContact CG2-CB 3.83Å; T26-K132 HydrophobicContact CG2-CD 3.63Å; T26-K132 HydrophobicContact CG2-CG 3.63Å
27	A	32	Very low	40.3	Very low	29 Å²	29	81.3 Å²	81.3	24%	0.24	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.8	-160.5	0	0	0	0	0	118.9	Q574 Q577	A27-Q574 PolarHBondContact O-NE2 2.8Å; A27-Q577 VanDerWaalsContact CB-OE1 3.27Å
28	L	38.2	Very low	42.4	Very low	57 Å²	57	83 Å²	83	30%	0.298	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-17.3	176.3	-87.7	133.3	0	0	0	113.7	T26	T26-L28 PolarHBondContact O-N 3.45Å; T26-L28 VanDerWaalsContact O-N 3.11Å
29	S	38.7	Very low	44.2	Very low	29 Å²	29	77.4 Å²	77.4	20%	0.203	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-16.3	175.5	78.5	0	0	0	0	113.6	T26 H31	T26-S29 CarbonylContact O-C 3.53Å; T26-S29 PolarHBondContact O-N 3.11Å; T26-S29 PolarHBondContact O-OG 2.85Å; T26-S29 PolarHBondContact OG1-OG 3.19Å; S29-H31 PolarHBondContact O-N 3.32Å
30	R	39.2	Very low	46.2	Very low	113 Å²	113	77.5 Å²	77.5	43%	0.426	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	122	160.9	-78.9	178.6	-173.8	-175.7	1	105.9	T26	T26-R30 WeakPolarHBondContact O-CB 3.28Å; T26-R30 VanDerWaalsContact O-CG 3.3Å; T26-R30 WeakPolarHBondContact O-CG 3.29Å; T26-R30 PolarHBondContact O-N 3.19Å
31	H	49	Very low	48.7	Very low	105 Å²	105	73.2 Å²	73.2	49%	0.486	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	16.6	165.7	-40.6	-66.7	0	0	0	118.6	S29 D33 E196 R543	S29-H31 PolarHBondContact O-N 3.32Å; H31-D33 PolarHBondContact O-N 2.75Å; H31-E196 WeakPolarHBondContact O-CG 3.42Å; H31-R543 PolarHBondContact O-NH2 3.47Å
32	V	52.9	Low	51.2	Low	10 Å²	10	74.5 Å²	74.5	6%	0.061	38%	0.383	C	S	.	.	S	Bend	trans	-77.8	113	149.1	-173.3	0	0	0	0	105.7	L34 I37 Y64 F190	V32-L34 PolarHBondContact O-N 3.34Å; V32-I37 HydrophobicContact CB-CD1 3.87Å; V32-I37 HydrophobicContact CG1-CD1 3.39Å; V32-I37 HydrophobicContact CG1-CG1 3.65Å; V32-Y64 HydrophobicContact CG1-CD1 4.41Å; V32-Y64 HydrophobicContact CG2-CD1 4.45Å; V32-Y64 HydrophobicContact CG2-CE1 4.05Å; V32-F190 HydrophobicContact CG1-CE1 3.84Å; V32-F190 HydrophobicContact CG1-CZ 3.55Å
33	D	52.2	Low	54.2	Low	40 Å²	40	68 Å²	68	21%	0.214	35%	0.352	C	S	.	.			trans	-55	110.9	177.9	-175.1	10	0	0	0	108.6	H31 I35 S36 I37 E196	H31-D33 PolarHBondContact O-N 2.75Å; D33-I35 PolarHBondContact O-N 3.5Å; D33-I35 VanDerWaalsContact O-N 3.13Å; D33-I35 VanDerWaalsContact OD1-CB 3.23Å; D33-I35 WeakPolarHBondContact OD1-CB 3.36Å; D33-I35 VanDerWaalsContact OD1-CD1 3.32Å; D33-I35 WeakPolarHBondContact OD1-CD1 3.17Å; D33-I35 WeakPolarHBondContact OD1-CG1 3.25Å; D33-I35 PolarHBondContact OD1-N 2.86Å; D33-I35 VanDerWaalsContact OD1-N 3.16Å; D33-S36 PolarHBondContact O-N 3.05Å; D33-I37 PolarHBondContact O-N 3.2Å; D33-E196 HydrophobicContact CB-CB 4.4Å; D33-E196 HydrophobicContact CB-CG 3.52Å
34	L	56.6	Low	57.2	Low	91 Å²	91	68.8 Å²	68.8	48%	0.476	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-57.8	-25.9	178.7	-72.1	164	0	0	0	110.5	I21 V32 S36 I37	I21-L34 WeakPolarHBondContact O-CD1 3.38Å; V32-L34 PolarHBondContact O-N 3.34Å; L34-S36 PolarHBondContact O-N 2.91Å; L34-I37 HydrophobicContact CD2-CD1 4.21Å; L34-I37 PolarHBondContact O-N 3.12Å; L34-I37 VanDerWaalsContact O-N 3.15Å
35	I	55	Low	60.2	Low	111 Å²	111	67.7 Å²	67.7	57%	0.569	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-60.9	-30.8	175.8	-56.9	168.9	0	0	0	111.4	D33	D33-I35 PolarHBondContact O-N 3.5Å; D33-I35 VanDerWaalsContact O-N 3.13Å; D33-I35 VanDerWaalsContact OD1-CB 3.23Å; D33-I35 WeakPolarHBondContact OD1-CB 3.36Å; D33-I35 VanDerWaalsContact OD1-CD1 3.32Å; D33-I35 WeakPolarHBondContact OD1-CD1 3.17Å; D33-I35 WeakPolarHBondContact OD1-CG1 3.25Å; D33-I35 PolarHBondContact OD1-N 2.86Å; D33-I35 VanDerWaalsContact OD1-N 3.16Å
36	S	66.2	Low	63.2	Low	7 Å²	7	59.8 Å²	59.8	5%	0.049	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-91.5	-16.4	-179.9	-55.6	0	0	0	0	113	D33 L34 R38 N63 K195	D33-S36 PolarHBondContact O-N 3.05Å; L34-S36 PolarHBondContact O-N 2.91Å; S36-R38 PolarHBondContact O-N 2.98Å; S36-N63 PolarHBondContact O-ND2 3.07Å; S36-K195 WeakPolarHBondContact OG-CB 3.46Å; S36-K195 PolarHBondContact OG-N 3.36Å
37	I	70.6	Confident	65.9	Low	29 Å²	29	58.9 Å²	58.9	15%	0.149	29%	0.294	C	S	.	.			trans	-82.4	117.7	179.4	-67.7	170.6	0	0	0	108.2	V32 D33 L34 T62 N63 F190	V32-I37 HydrophobicContact CB-CD1 3.87Å; V32-I37 HydrophobicContact CG1-CD1 3.39Å; V32-I37 HydrophobicContact CG1-CG1 3.65Å; D33-I37 PolarHBondContact O-N 3.2Å; L34-I37 HydrophobicContact CD2-CD1 4.21Å; L34-I37 PolarHBondContact O-N 3.12Å; L34-I37 VanDerWaalsContact O-N 3.15Å; I37-T62 HydrophobicContact CG2-CG2 3.47Å; I37-T62 VanDerWaalsContact CG2-CG2 3.47Å; I37-N63 WeakPolarHBondContact CA-OD1 3.47Å; I37-F190 HydrophobicContact CG1-CE2 4.47Å; I37-F190 HydrophobicContact CG1-CZ 4.39Å
38	R	73.8	Confident	68.5	Low	174 Å²	174	57.7 Å²	57.7	66%	0.657	28%	0.284	S	S	*	.			trans	-105.5	123.6	171.7	-64.6	-179.6	-177.7	176.8	-1.4	108.8	S36 F40 T62 N63	S36-R38 PolarHBondContact O-N 2.98Å; R38-F40 HydrophobicContact CB-CE2 3.82Å; R38-F40 HydrophobicContact CB-CZ 4.26Å; R38-F40 WeakPolarHBondContact O-CD2 3.18Å; R38-F40 VanDerWaalsContact O-CE2 3.24Å; R38-F40 WeakPolarHBondContact O-CE2 3.37Å; R38-T62 CarbonylContact O-C 3.43Å; R38-T62 WeakPolarHBondContact O-CA 3.39Å; R38-T62 VanDerWaalsContact O-CB 3.26Å; R38-T62 WeakPolarHBondContact O-CB 3.31Å; R38-N63 PolarHBondContact N-OD1 3.49Å; R38-N63 PolarHBondContact O-N 2.67Å
39	S	70	Confident	70.6	Confident	37 Å²	37	57 Å²	57	26%	0.259	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	131.5	171.5	-62.6	0	0	0	0	109.4
40	F	75.1	Confident	72	Confident	108 Å²	108	56.2 Å²	56.2	47%	0.474	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	-38.1	-179.4	-72.6	-96.3	0	0	0	112.2	R38 V61 N63 C165 L169	R38-F40 HydrophobicContact CB-CE2 3.82Å; R38-F40 HydrophobicContact CB-CZ 4.26Å; R38-F40 WeakPolarHBondContact O-CD2 3.18Å; R38-F40 VanDerWaalsContact O-CE2 3.24Å; R38-F40 WeakPolarHBondContact O-CE2 3.37Å; F40-V61 PolarHBondContact N-O 3.33Å; F40-N63 HydrophobicContact CE2-CB 3.65Å; F40-N63 HydrophobicContact CZ-CB 4.28Å; F40-C165 WeakPolarHBondContact CB-SG 3.4Å; F40-L169 HydrophobicContact CB-CD1 4.19Å; F40-L169 HydrophobicContact CD1-CD1 4.39Å; F40-L169 HydrophobicContact CD2-CD1 3.6Å; F40-L169 HydrophobicContact CE1-CD2 4.49Å; F40-L169 HydrophobicContact CE2-CD1 4.09Å; F40-L169 HydrophobicContact CE2-CD2 4.38Å; F40-L169 HydrophobicContact CG-CD1 3.79Å; F40-L169 HydrophobicContact CZ-CD2 4.29Å
41	V	81	Confident	72.6	Confident	23 Å²	23	53.5 Å²	53.5	14%	0.139	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	134.9	-179.9	-177.8	0	0	0	0	108.9	E43 T60 V61 L162 C165	V41-E43 HydrophobicContact CG1-CG 3.85Å; V41-T60 WeakPolarHBondContact O-CA 3.31Å; V41-V61 PolarHBondContact N-O 2.98Å; V41-V61 PolarHBondContact O-N 3.12Å; V41-L162 HydrophobicContact CB-CD2 4.1Å; V41-L162 HydrophobicContact CG1-CD2 3.43Å; V41-L162 VanDerWaalsContact CG1-CD2 3.43Å; V41-L162 HydrophobicContact CG1-CG 3.96Å; V41-C165 HydrophobicContact CG2-CB 3.59Å
42	L	85.1	Confident	72.8	Confident	86 Å²	86	51 Å²	51	45%	0.45	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	123.5	172.3	-178.4	154.7	0	0	0	107.6	T44 R58 M59	L42-T44 HydrophobicContact CD2-CG2 4.46Å; L42-R58 HydrophobicContact CD2-CG 4.34Å; L42-R58 HydrophobicContact CG-CG 4.29Å; L42-M59 WeakPolarHBondContact CA-O 3.38Å
43	E	88.9	Confident	73.4	Confident	46 Å²	46	52.3 Å²	52.3	22%	0.215	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.3	178.8	-65.9	-71.7	-179	0	0	109.5	V41 I46 R58 M59 A158 L162	V41-E43 HydrophobicContact CG1-CG 3.85Å; E43-I46 HydrophobicContact CB-CD1 4.01Å; E43-I46 HydrophobicContact CB-CG1 4.03Å; E43-R58 WeakPolarHBondContact O-CA 3.32Å; E43-M59 PolarHBondContact N-O 2.9Å; E43-M59 PolarHBondContact O-N 3.4Å; E43-A158 HydrophobicContact CB-CB 4.13Å; E43-A158 VanDerWaalsContact CD-CB 3.48Å; E43-A158 HydrophobicContact CG-CB 3.79Å; E43-A158 WeakPolarHBondContact OE2-CB 3.4Å; E43-L162 HydrophobicContact CB-CD1 3.81Å; E43-L162 HydrophobicContact CB-CD2 4.37Å; E43-L162 HydrophobicContact CB-CG 4.31Å; E43-L162 HydrophobicContact CG-CD1 3.59Å; E43-L162 HydrophobicContact CG-CD2 3.89Å; E43-L162 HydrophobicContact CG-CG 3.64Å
44	T	88.9	Confident	74.8	Confident	70 Å²	70	54.2 Å²	54.2	43%	0.429	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	172.1	173.1	58.2	0	0	0	0	110.5	L42 I46 R58	L42-T44 HydrophobicContact CD2-CG2 4.46Å; T44-I46 PolarHBondContact O-N 3.43Å; T44-I46 VanDerWaalsContact O-N 3.12Å; T44-R58 HydrophobicContact CG2-CG 4.33Å
45	D	89.5	Confident	76.2	Confident	70 Å²	70	50.9 Å²	50.9	37%	0.374	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58	29.9	175.6	-50.9	-53.6	0	0	0	114.2	G57	D45-G57 PolarHBondContact N-O 3.09Å
46	I	91.5	Very high	77.8	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	127.1	172.1	-57.5	-55.8	0	0	0	107.9	E43 T44 I56 G57 M59 F68 F150 A158 L162	E43-I46 HydrophobicContact CB-CD1 4.01Å; E43-I46 HydrophobicContact CB-CG1 4.03Å; T44-I46 PolarHBondContact O-N 3.43Å; T44-I46 VanDerWaalsContact O-N 3.12Å; I46-I56 WeakPolarHBondContact O-CA 3.5Å; I46-G57 PolarHBondContact N-O 3.04Å; I46-G57 PolarHBondContact O-N 3.3Å; I46-M59 HydrophobicContact CB-CB 4.43Å; I46-M59 HydrophobicContact CG1-CB 4.09Å; I46-M59 HydrophobicContact CG1-CE 4.34Å; I46-M59 HydrophobicContact CG2-CE 4.33Å; I46-F68 HydrophobicContact CB-CE2 4.44Å; I46-F68 HydrophobicContact CG2-CE2 4.49Å; I46-F68 WeakPolarHBondContact O-CE2 3.45Å; I46-F150 HydrophobicContact CG2-CB 4.02Å; I46-F150 HydrophobicContact CG2-CD1 3.94Å; I46-F150 HydrophobicContact CG2-CG 4.4Å; I46-A158 HydrophobicContact CD1-CB 4.07Å; I46-L162 HydrophobicContact CD1-CD1 3.79Å; I46-L162 HydrophobicContact CG1-CD1 4.34Å
47	G	89.6	Confident	78.9	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.4	173.7	0	0	0	0	0	110.2	I55 F150 S151	G47-I55 CarbonylContact C-O 3.56Å; G47-F150 CarbonylContact O-C 3.58Å; G47-F150 WeakPolarHBondContact O-CA 3.21Å; G47-S151 PolarHBondContact N-O 3.37Å; G47-S151 PolarHBondContact O-N 3.1Å
48	F	87.3	Confident	79.8	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.3	166.1	174.7	-126.6	0	0	0	109.3	S50 K54 I55 F68 L92 L142 F148 R149 F150	F48-S50 PolarHBondContact O-N 3.2Å; F48-S50 VanDerWaalsContact O-N 3.11Å; F48-K54 WeakPolarHBondContact O-CA 3.13Å; F48-I55 HydrophobicContact CB-CB 4.47Å; F48-I55 HydrophobicContact CD1-CD1 4.36Å; F48-I55 PolarHBondContact N-O 3.4Å; F48-I55 PolarHBondContact O-N 3.26Å; F48-F68 HydrophobicContact CB-CD1 4.25Å; F48-F68 HydrophobicContact CB-CD2 4.5Å; F48-F68 HydrophobicContact CB-CE1 3.66Å; F48-F68 HydrophobicContact CB-CE2 3.93Å; F48-F68 HydrophobicContact CB-CZ 3.48Å; F48-F68 VanDerWaalsContact CB-CZ 3.48Å; F48-F68 HydrophobicContact CD1-CE1 4.32Å; F48-F68 HydrophobicContact CG-CE1 4.26Å; F48-L92 HydrophobicContact CE2-CD2 4.27Å; F48-L92 HydrophobicContact CZ-CD2 4.44Å; F48-L142 HydrophobicContact CE1-CD2 3.69Å; F48-L142 HydrophobicContact CZ-CD2 3.36Å; F48-F148 HydrophobicContact CE2-CB 4.25Å; F48-F148 AromaticContact CE2-CD1 3.84Å; F48-F148 HydrophobicContact CE2-CD1 3.84Å; F48-F148 AromaticContact CZ-CD1 4Å; F48-F148 HydrophobicContact CZ-CD1 4Å; F48-R149 WeakPolarHBondContact CD2-O 3.47Å; F48-F150 HydrophobicContact CB-CD1 4.17Å; F48-F150 HydrophobicContact CB-CE1 4.17Å; F48-F150 AromaticContact CD2-CD1 3.98Å; F48-F150 HydrophobicContact CD2-CD1 3.98Å; F48-F150 AromaticContact CD2-CE1 3.63Å; F48-F150 HydrophobicContact CD2-CE1 3.63Å; F48-F150 HydrophobicContact CD2-CZ 4.07Å; F48-F150 HydrophobicContact CE2-CE1 4.43Å; F48-F150 HydrophobicContact CE2-CZ 4.44Å; F48-F150 HydrophobicContact CG-CE1 4.21Å
49	L	81	Confident	80.6	Confident	42 Å²	42	43.6 Å²	43.6	22%	0.22	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	86.3	-179.8	-50.4	-176.1	0	0	0	109.1	K54 M105 D115 R149	L49-K54 HydrophobicContact CD2-CB 4.19Å; L49-K54 HydrophobicContact CD2-CG 4.06Å; L49-M105 HydrophobicContact CD1-CE 4.41Å; L49-D115 HydrophobicContact CD1-CB 4.01Å; L49-D115 HydrophobicContact CD2-CB 3.73Å; L49-R149 HydrophobicContact CB-CB 3.87Å; L49-R149 HydrophobicContact CD1-CB 4.09Å; L49-R149 HydrophobicContact CG-CB 4.23Å; L49-R149 PolarHBondContact N-O 3.19Å
50	S	68.6	Low	81.6	Confident	12 Å²	12	42 Å²	42	8%	0.084	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	164.1	168.9	82.7	0	0	0	0	109.6	F48 A52 G53 F141	F48-S50 PolarHBondContact O-N 3.2Å; F48-S50 VanDerWaalsContact O-N 3.11Å; S50-A52 PolarHBondContact O-N 2.84Å; S50-A52 PolarHBondContact OG-N 2.92Å; S50-G53 PolarHBondContact N-O 3.41Å; S50-G53 VanDerWaalsContact N-O 3.16Å; S50-G53 PolarHBondContact O-N 3.43Å; S50-G53 PolarHBondContact OG-O 2.98Å; S50-F141 WeakPolarHBondContact CB-O 3.47Å
51	C	52.1	Low	82.3	Confident	57 Å²	57	36.9 Å²	36.9	39%	0.385	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	3.5	172.4	50	0	0	0	0	114.5	G53 S140 F141 L142 Q143	C51-G53 VanDerWaalsContact C-N 3.3Å; C51-S140 CarbonylContact C-O 3.48Å; C51-S140 PolarHBondContact SG-O 3.21Å; C51-F141 PolarHBondContact N-O 3.34Å; C51-F141 VanDerWaalsContact N-O 3.14Å; C51-F141 WeakPolarHBondContact SG-CA 3.43Å; C51-F141 PolarHBondContact SG-N 3.43Å; C51-F141 VanDerWaalsContact SG-N 3.35Å; C51-L142 VanDerWaalsContact SG-CA 3.52Å; C51-L142 PolarHBondContact SG-N 3.38Å; C51-Q143 PolarHBondContact SG-N 3.15Å
52	A	52.2	Low	82.7	Confident	53 Å²	53	36 Å²	36	44%	0.438	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	2.5	161.8	0	0	0	0	0	113.8	S50 F141	S50-A52 PolarHBondContact O-N 2.84Å; S50-A52 PolarHBondContact OG-N 2.92Å; A52-F141 HydrophobicContact CB-CD1 3.32Å; A52-F141 HydrophobicContact CB-CD2 3.95Å; A52-F141 HydrophobicContact CB-CE1 3Å; A52-F141 HydrophobicContact CB-CE2 3.66Å; A52-F141 HydrophobicContact CB-CG 3.81Å; A52-F141 HydrophobicContact CB-CZ 3.19Å
53	G	65.9	Low	82.8	Confident	37 Å²	37	32.6 Å²	32.6	38%	0.381	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	107.3	-173.1	-173.8	0	0	0	0	0	112.2	S50 C51	S50-G53 PolarHBondContact N-O 3.41Å; S50-G53 VanDerWaalsContact N-O 3.16Å; S50-G53 PolarHBondContact O-N 3.43Å; S50-G53 PolarHBondContact OG-O 2.98Å; C51-G53 VanDerWaalsContact C-N 3.3Å
54	K	82.3	Confident	82.8	Confident	79 Å²	79	31 Å²	31	34%	0.343	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	124.6	-175.3	-175.5	-170.1	-165.4	165.9	0	110.9	F48 L49 I56 D115 S151	F48-K54 WeakPolarHBondContact O-CA 3.13Å; L49-K54 HydrophobicContact CD2-CB 4.19Å; L49-K54 HydrophobicContact CD2-CG 4.06Å; K54-I56 HydrophobicContact CD-CD1 3.76Å; K54-I56 HydrophobicContact CG-CD1 4Å; K54-D115 WeakPolarHBondContact CD-OD1 3.47Å; K54-D115 WeakPolarHBondContact CD-OD2 3.25Å; K54-D115 WeakPolarHBondContact CE-OD1 3.46Å; K54-D115 IonicContact NZ-OD1 3.82Å; K54-D115 PolarHBondContact NZ-OD1 3.22Å; K54-D115 IonicContact NZ-OD2 3.31Å; K54-S151 WeakPolarHBondContact CE-OG 3.43Å
55	I	84.6	Confident	82.8	Confident	22 Å²	22	28.9 Å²	28.9	11%	0.113	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.4	172.3	-59.3	172.6	0	0	0	107.8	G47 F48 F68 V74 C90	G47-I55 CarbonylContact C-O 3.56Å; F48-I55 HydrophobicContact CB-CB 4.47Å; F48-I55 HydrophobicContact CD1-CD1 4.36Å; F48-I55 PolarHBondContact N-O 3.4Å; F48-I55 PolarHBondContact O-N 3.26Å; I55-F68 HydrophobicContact CG2-CE1 4.25Å; I55-F68 HydrophobicContact CG2-CZ 4.3Å; I55-F68 WeakPolarHBondContact O-CZ 3.39Å; I55-V74 HydrophobicContact CD1-CG2 4.47Å; I55-V74 HydrophobicContact CG2-CG2 4.14Å; I55-C90 HydrophobicContact CD1-CB 4.32Å; I55-C90 HydrophobicContact CG2-CB 4.36Å
56	I	89.5	Confident	82.8	Confident	64 Å²	64	25.5 Å²	25.5	33%	0.328	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	136.3	176	-54.6	-62.4	0	0	0	109.9	I46 K54 S70 S71	I46-I56 WeakPolarHBondContact O-CA 3.5Å; K54-I56 HydrophobicContact CD-CD1 3.76Å; K54-I56 HydrophobicContact CG-CD1 4Å; I56-S70 WeakPolarHBondContact O-CA 3.3Å; I56-S71 PolarHBondContact O-N 3.31Å
57	G	89.3	Confident	82.6	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	-176.8	179	0	0	0	0	0	114.5	D45 I46 E69	D45-G57 PolarHBondContact N-O 3.09Å; I46-G57 PolarHBondContact N-O 3.04Å; I46-G57 PolarHBondContact O-N 3.3Å; G57-E69 CarbonylContact C-O 3.46Å; G57-E69 WeakPolarHBondContact CA-O 3.42Å
58	R	90.1	Very high	82.5	Confident	103 Å²	103	26.4 Å²	26.4	39%	0.389	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.9	174.6	179.2	179.1	63.4	-172.9	-0.3	109.4	L42 E43 T44 F68 E69	L42-R58 HydrophobicContact CD2-CG 4.34Å; L42-R58 HydrophobicContact CG-CG 4.29Å; E43-R58 WeakPolarHBondContact O-CA 3.32Å; T44-R58 HydrophobicContact CG2-CG 4.33Å; R58-F68 CarbonylContact O-C 3.55Å; R58-F68 WeakPolarHBondContact O-CA 3.18Å; R58-E69 IonicContact CZ-OE2 3.13Å; R58-E69 PolarHBondContact N-O 3.44Å; R58-E69 IonicContact NE-OE2 3.8Å; R58-E69 IonicContact NH2-OE2 2.75Å; R58-E69 PolarHBondContact NH2-OE2 3.28Å; R58-E69 PolarHBondContact O-N 3.33Å
59	M	90.8	Very high	82.4	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.5	173.9	-172.6	169.2	59.1	0	0	111	L42 E43 I46 L66 L67 F68 F119 F150 L162	L42-M59 WeakPolarHBondContact CA-O 3.38Å; E43-M59 PolarHBondContact N-O 2.9Å; E43-M59 PolarHBondContact O-N 3.4Å; I46-M59 HydrophobicContact CB-CB 4.43Å; I46-M59 HydrophobicContact CG1-CB 4.09Å; I46-M59 HydrophobicContact CG1-CE 4.34Å; I46-M59 HydrophobicContact CG2-CE 4.33Å; M59-L66 HydrophobicContact CG-CD1 4.28Å; M59-L66 HydrophobicContact CG-CD2 4.24Å; M59-L66 HydrophobicContact CG-CG 4.01Å; M59-L66 HydrophobicContact SD-CD1 3.5Å; M59-L66 VanDerWaalsContact SD-CD1 3.5Å; M59-L66 HydrophobicContact SD-CD2 4.1Å; M59-L66 HydrophobicContact SD-CG 3.87Å; M59-L67 CarbonylContact C-O 3.53Å; M59-L67 VanDerWaalsContact CA-O 3.32Å; M59-L67 WeakPolarHBondContact CA-O 3.33Å; M59-F68 HydrophobicContact CB-CD2 4.4Å; M59-F119 HydrophobicContact CE-CE1 3.87Å; M59-F119 HydrophobicContact CE-CZ 3.41Å; M59-F119 VanDerWaalsContact CE-CZ 3.41Å; M59-F119 HydrophobicContact SD-CZ 3.83Å; M59-F150 HydrophobicContact SD-CD1 4.46Å; M59-F150 HydrophobicContact SD-CE1 4.47Å; M59-L162 HydrophobicContact CE-CB 4.05Å; M59-L162 HydrophobicContact CE-CD1 3.07Å; M59-L162 HydrophobicContact CE-CD2 3.29Å; M59-L162 HydrophobicContact CE-CG 3.61Å
60	T	89.6	Confident	82.5	Confident	4 Å²	4	25.8 Å²	25.8	3%	0.025	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.7	177.6	-55.8	0	0	0	0	109.4	I21 V41 T62 L67	I21-T60 HydrophobicContact CD1-CG2 4.34Å; V41-T60 WeakPolarHBondContact O-CA 3.31Å; T60-T62 HydrophobicContact CG2-CG2 4.21Å; T60-L67 PolarHBondContact N-O 2.95Å; T60-L67 PolarHBondContact O-N 3.43Å
61	V	90.3	Very high	83.2	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.8	175.3	-175.6	0	0	0	0	109	F40 V41 L162 L166 L169	F40-V61 PolarHBondContact N-O 3.33Å; V41-V61 PolarHBondContact N-O 2.98Å; V41-V61 PolarHBondContact O-N 3.12Å; V61-L162 HydrophobicContact CG2-CD2 3.89Å; V61-L166 HydrophobicContact CB-CD2 4.41Å; V61-L166 HydrophobicContact CG1-CD2 3.66Å; V61-L166 HydrophobicContact CG1-CG 4.17Å; V61-L166 HydrophobicContact CG2-CD1 4.48Å; V61-L166 HydrophobicContact CG2-CD2 3.82Å; V61-L166 HydrophobicContact CG2-CG 3.95Å; V61-L169 HydrophobicContact CG1-CD1 4.06Å
62	T	89.2	Confident	84.3	Confident	6 Å²	6	32.7 Å²	32.7	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	175	178.4	79.2	0	0	0	0	111.4	I37 R38 T60 Y64 R65 L96 L169	I37-T62 HydrophobicContact CG2-CG2 3.47Å; I37-T62 VanDerWaalsContact CG2-CG2 3.47Å; R38-T62 CarbonylContact O-C 3.43Å; R38-T62 WeakPolarHBondContact O-CA 3.39Å; R38-T62 VanDerWaalsContact O-CB 3.26Å; R38-T62 WeakPolarHBondContact O-CB 3.31Å; T60-T62 HydrophobicContact CG2-CG2 4.21Å; T62-Y64 PolarHBondContact O-N 2.91Å; T62-Y64 PolarHBondContact OG1-N 3.13Å; T62-Y64 VanDerWaalsContact OG1-N 3.14Å; T62-R65 HydrophobicContact CG2-CG 4.48Å; T62-R65 PolarHBondContact N-O 3.29Å; T62-R65 PolarHBondContact OG1-N 3.15Å; T62-R65 PolarHBondContact OG1-O 3.43Å; T62-L96 WeakPolarHBondContact O-CD1 3.42Å; T62-L169 WeakPolarHBondContact O-CD1 3.34Å
63	N	88.2	Confident	84.9	Confident	13 Å²	13	35.7 Å²	35.7	7%	0.07	18%	0.18	C	C	.	.	S	Bend	trans	-61.2	-7.9	170.3	54	-22.5	0	0	0	114.4	S36 I37 R38 F40 Q193	S36-N63 PolarHBondContact O-ND2 3.07Å; I37-N63 WeakPolarHBondContact CA-OD1 3.47Å; R38-N63 PolarHBondContact N-OD1 3.49Å; R38-N63 PolarHBondContact O-N 2.67Å; F40-N63 HydrophobicContact CE2-CB 3.65Å; F40-N63 HydrophobicContact CZ-CB 4.28Å; N63-Q193 PolarHBondContact ND2-OE1 2.88Å
64	Y	88.7	Confident	84.6	Confident	12 Å²	12	35.7 Å²	35.7	5%	0.047	17%	0.172	C	C	.	.	S	Bend	trans	-126.1	-35.7	-177	175.8	-117.7	0	0	0	114.5	V32 T62 P95 L96 F190 S541 R543	V32-Y64 HydrophobicContact CG1-CD1 4.41Å; V32-Y64 HydrophobicContact CG2-CD1 4.45Å; V32-Y64 HydrophobicContact CG2-CE1 4.05Å; T62-Y64 PolarHBondContact O-N 2.91Å; T62-Y64 PolarHBondContact OG1-N 3.13Å; T62-Y64 VanDerWaalsContact OG1-N 3.14Å; Y64-P95 HydrophobicContact CE1-CB 4.47Å; Y64-P95 HydrophobicContact CE2-CB 4.15Å; Y64-P95 CarbonylContact O-C 3.52Å; Y64-P95 WeakPolarHBondContact O-CA 3.46Å; Y64-L96 WeakPolarHBondContact O-CG 3.38Å; Y64-L96 PolarHBondContact O-N 2.81Å; Y64-F190 HydrophobicContact CD1-CE1 4.42Å; Y64-F190 HydrophobicContact CD2-CB 3.79Å; Y64-F190 AromaticContact CD2-CD1 3.38Å; Y64-F190 HydrophobicContact CD2-CD1 3.38Å; Y64-F190 HydrophobicContact CD2-CD2 4.39Å; Y64-F190 HydrophobicContact CD2-CE1 4.03Å; Y64-F190 AromaticContact CD2-CG 3.59Å; Y64-F190 HydrophobicContact CD2-CG 3.59Å; Y64-F190 HydrophobicContact CE2-CD1 4.01Å; Y64-F190 HydrophobicContact CG-CB 4.41Å; Y64-F190 AromaticContact CG-CD1 3.71Å; Y64-F190 HydrophobicContact CG-CD1 3.71Å; Y64-F190 HydrophobicContact CG-CD2 4.21Å; Y64-F190 AromaticContact CG-CE1 3.95Å; Y64-F190 HydrophobicContact CG-CE1 3.95Å; Y64-F190 HydrophobicContact CG-CE2 4.41Å; Y64-F190 AromaticContact CG-CG 3.84Å; Y64-F190 HydrophobicContact CG-CG 3.84Å; Y64-F190 HydrophobicContact CG-CZ 4.29Å; Y64-S541 WeakPolarHBondContact CE2-O 3.17Å; Y64-R543 HydrophobicContact CE2-CB 3.68Å; Y64-R543 HydrophobicContact CE2-CG 4.23Å
65	R	88.2	Confident	83.2	Confident	26 Å²	26	37.1 Å²	37.1	10%	0.098	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	159.3	-172	71.7	-176.2	70.5	-174.9	11.1	113	T62 D93 I94	T62-R65 HydrophobicContact CG2-CG 4.48Å; T62-R65 PolarHBondContact N-O 3.29Å; T62-R65 PolarHBondContact OG1-N 3.15Å; T62-R65 PolarHBondContact OG1-O 3.43Å; R65-D93 VanDerWaalsContact CD-OD1 3.32Å; R65-D93 WeakPolarHBondContact CD-OD1 2.94Å; R65-D93 IonicContact CZ-OD2 2.88Å; R65-D93 IonicContact NE-OD1 3.22Å; R65-D93 IonicContact NH1-OD1 3.35Å; R65-D93 IonicContact NH1-OD2 3.16Å; R65-D93 PolarHBondContact NH1-OD2 3.08Å; R65-I94 CarbonylContact C-O 3.51Å; R65-I94 WeakPolarHBondContact CA-O 3.39Å; R65-I94 WeakPolarHBondContact CB-O 3.27Å
66	L	90.1	Very high	81.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.7	157.1	176.8	157.3	0	0	0	108.2	M59 F68 D93 I94 L96 I121 F150 L166	M59-L66 HydrophobicContact CG-CD1 4.28Å; M59-L66 HydrophobicContact CG-CD2 4.24Å; M59-L66 HydrophobicContact CG-CG 4.01Å; M59-L66 HydrophobicContact SD-CD1 3.5Å; M59-L66 VanDerWaalsContact SD-CD1 3.5Å; M59-L66 HydrophobicContact SD-CD2 4.1Å; M59-L66 HydrophobicContact SD-CG 3.87Å; L66-F68 HydrophobicContact CD2-CB 4.38Å; L66-D93 WeakPolarHBondContact O-CA 3.29Å; L66-I94 HydrophobicContact CB-CB 4.45Å; L66-I94 HydrophobicContact CD2-CD1 4.42Å; L66-I94 PolarHBondContact N-O 3.49Å; L66-I94 PolarHBondContact O-N 3.3Å; L66-L96 HydrophobicContact CB-CD2 4.33Å; L66-I121 HydrophobicContact CD1-CD1 3.48Å; L66-I121 VanDerWaalsContact CD1-CD1 3.48Å; L66-F150 HydrophobicContact CD2-CZ 4.2Å; L66-L166 HydrophobicContact CB-CD2 4.18Å; L66-L166 HydrophobicContact CD1-CD1 3.81Å; L66-L166 HydrophobicContact CD1-CD2 3.76Å; L66-L166 HydrophobicContact CD1-CG 4.41Å
67	L	87.2	Confident	79.3	Confident	21 Å²	21	37.1 Å²	37.1	11%	0.11	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.4	172.9	-179.8	69.5	0	0	0	108.8	M59 T60 E69 L92 D93	M59-L67 CarbonylContact C-O 3.53Å; M59-L67 VanDerWaalsContact CA-O 3.32Å; M59-L67 WeakPolarHBondContact CA-O 3.33Å; T60-L67 PolarHBondContact N-O 2.95Å; T60-L67 PolarHBondContact O-N 3.43Å; L67-E69 HydrophobicContact CD1-CG 4.29Å; L67-E69 HydrophobicContact CD2-CG 4.18Å; L67-E69 HydrophobicContact CG-CG 4.01Å; L67-L92 CarbonylContact C-O 3.58Å; L67-L92 WeakPolarHBondContact CA-O 3.44Å; L67-D93 HydrophobicContact CD1-CB 4.11Å
68	F	87.7	Confident	77	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.4	168.2	170.8	-87.1	0	0	0	109.3	I46 F48 I55 R58 M59 L66 T91 L92 F150	I46-F68 HydrophobicContact CB-CE2 4.44Å; I46-F68 HydrophobicContact CG2-CE2 4.49Å; I46-F68 WeakPolarHBondContact O-CE2 3.45Å; F48-F68 HydrophobicContact CB-CD1 4.25Å; F48-F68 HydrophobicContact CB-CD2 4.5Å; F48-F68 HydrophobicContact CB-CE1 3.66Å; F48-F68 HydrophobicContact CB-CE2 3.93Å; F48-F68 HydrophobicContact CB-CZ 3.48Å; F48-F68 VanDerWaalsContact CB-CZ 3.48Å; F48-F68 HydrophobicContact CD1-CE1 4.32Å; F48-F68 HydrophobicContact CG-CE1 4.26Å; I55-F68 HydrophobicContact CG2-CE1 4.25Å; I55-F68 HydrophobicContact CG2-CZ 4.3Å; I55-F68 WeakPolarHBondContact O-CZ 3.39Å; R58-F68 CarbonylContact O-C 3.55Å; R58-F68 WeakPolarHBondContact O-CA 3.18Å; M59-F68 HydrophobicContact CB-CD2 4.4Å; L66-F68 HydrophobicContact CD2-CB 4.38Å; F68-T91 CarbonylContact O-C 3.31Å; F68-T91 VanDerWaalsContact O-CA 3.26Å; F68-T91 WeakPolarHBondContact O-CA 3.45Å; F68-L92 HydrophobicContact CB-CB 4.19Å; F68-L92 HydrophobicContact CD1-CB 4.49Å; F68-L92 PolarHBondContact N-O 3.04Å; F68-L92 PolarHBondContact O-N 3.47Å; F68-F150 HydrophobicContact CB-CE1 4.2Å; F68-F150 HydrophobicContact CD2-CD1 4.41Å; F68-F150 HydrophobicContact CD2-CE1 4.05Å; F68-F150 HydrophobicContact CG-CE1 4.12Å
69	E	84.2	Confident	74.5	Confident	29 Å²	29	36.3 Å²	36.3	14%	0.136	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.6	178.7	-59	-178.5	119.2	0	0	108.9	G57 R58 L67 C90 T91 R131	G57-E69 CarbonylContact C-O 3.46Å; G57-E69 WeakPolarHBondContact CA-O 3.42Å; R58-E69 IonicContact CZ-OE2 3.13Å; R58-E69 PolarHBondContact N-O 3.44Å; R58-E69 IonicContact NE-OE2 3.8Å; R58-E69 IonicContact NH2-OE2 2.75Å; R58-E69 PolarHBondContact NH2-OE2 3.28Å; R58-E69 PolarHBondContact O-N 3.33Å; L67-E69 HydrophobicContact CD1-CG 4.29Å; L67-E69 HydrophobicContact CD2-CG 4.18Å; L67-E69 HydrophobicContact CG-CG 4.01Å; E69-C90 WeakPolarHBondContact CA-O 3.42Å; E69-T91 HydrophobicContact CB-CG2 4.39Å; E69-T91 HydrophobicContact CG-CG2 4.03Å; E69-R131 IonicContact OE1-CZ 3.68Å; E69-R131 IonicContact OE1-NH1 2.75Å; E69-R131 PolarHBondContact OE1-NH1 3.27Å; E69-R131 IonicContact OE1-NH2 3.79Å
70	S	83.9	Confident	72.3	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	142	177.5	66	0	0	0	0	111.4	I56 E72 C90	I56-S70 WeakPolarHBondContact O-CA 3.3Å; S70-E72 WeakPolarHBondContact CB-O 3.43Å; S70-E72 PolarHBondContact OG-O 3.31Å; S70-C90 PolarHBondContact N-O 2.81Å; S70-C90 PolarHBondContact OG-N 3.27Å; S70-C90 PolarHBondContact OG-O 3.09Å
71	S	83.6	Confident	69.8	Low	60 Å²	60	51 Å²	51	42%	0.42	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	-46.4	177	-61.7	0	0	0	0	110.1	I56	I56-S71 PolarHBondContact O-N 3.31Å
72	E	73.7	Confident	67.4	Low	155 Å²	155	58.5 Å²	58.5	72%	0.724	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	159.6	179.3	-65.3	179.9	-177.4	0	0	111.5	S70	S70-E72 WeakPolarHBondContact CB-O 3.43Å; S70-E72 PolarHBondContact OG-O 3.31Å
73	E	66.7	Low	65.1	Low	115 Å²	115	62.1 Å²	62.1	54%	0.537	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	131.3	169.9	-54.5	-173.5	141	0	0	109.2	V87 K89	E73-V87 HydrophobicContact CB-CG1 3.29Å; E73-V87 HydrophobicContact CG-CG1 4.18Å; E73-V87 WeakPolarHBondContact OE2-CG1 3.38Å; E73-K89 HydrophobicContact CG-CG 4.04Å
74	V	59.1	Low	62.8	Low	37 Å²	37	68.7 Å²	68.7	22%	0.224	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	134.6	-179	-177	0	0	0	0	107.5	I55 M76 K88 C90	I55-V74 HydrophobicContact CD1-CG2 4.47Å; I55-V74 HydrophobicContact CG2-CG2 4.14Å; V74-M76 WeakPolarHBondContact O-CG 3.49Å; V74-M76 PolarHBondContact O-N 2.84Å; V74-K88 PolarHBondContact N-O 3.09Å; V74-K88 PolarHBondContact O-N 3.05Å; V74-C90 HydrophobicContact CG2-CB 4.15Å
75	L	52.5	Low	60.6	Low	110 Å²	110	73.5 Å²	73.5	58%	0.576	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-73.7	125.7	-177.1	-144.3	141.1	0	0	0	109.7	F85	L75-F85 HydrophobicContact CD2-CB 4.49Å; L75-F85 HydrophobicContact CD2-CD1 3.35Å; L75-F85 HydrophobicContact CD2-CE1 3.72Å; L75-F85 HydrophobicContact CD2-CG 4.09Å
76	M	49.6	Very low	58.5	Low	16 Å²	16	74.4 Å²	74.4	8%	0.079	39%	0.39	C	S	.	.			trans	-116.6	92.7	-175.5	-52.7	-72.4	-99.6	0	0	111.6	V74 L78 F85 S86 V134 F137	V74-M76 WeakPolarHBondContact O-CG 3.49Å; V74-M76 PolarHBondContact O-N 2.84Å; M76-L78 PolarHBondContact O-N 3.4Å; M76-F85 WeakPolarHBondContact O-CA 3.49Å; M76-S86 WeakPolarHBondContact CB-O 3.28Å; M76-S86 WeakPolarHBondContact CG-O 3.21Å; M76-S86 PolarHBondContact O-N 3.17Å; M76-V134 HydrophobicContact CE-CB 4.27Å; M76-V134 HydrophobicContact CE-CG1 3.97Å; M76-V134 HydrophobicContact CE-CG2 4.33Å; M76-F137 HydrophobicContact CB-CD2 3.35Å; M76-F137 HydrophobicContact CB-CE2 3.52Å; M76-F137 HydrophobicContact CB-CG 4.35Å; M76-F137 HydrophobicContact CE-CB 3.55Å; M76-F137 HydrophobicContact CE-CD2 3.98Å; M76-F137 HydrophobicContact CE-CG 3.97Å; M76-F137 HydrophobicContact CG-CD2 3.97Å; M76-F137 HydrophobicContact CG-CE2 4.48Å; M76-F137 HydrophobicContact SD-CB 3.87Å; M76-F137 HydrophobicContact SD-CD1 4.4Å; M76-F137 HydrophobicContact SD-CD2 3.55Å; M76-F137 VanDerWaalsContact SD-CD2 3.55Å; M76-F137 HydrophobicContact SD-CE2 4.37Å; M76-F137 HydrophobicContact SD-CG 3.61Å
77	T	41.7	Very low	56.4	Low	70 Å²	70	77.7 Å²	77.7	43%	0.429	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-51	97.9	147.8	-28.5	0	0	0	0	119.6	A79 F85 F137	T77-A79 PolarHBondContact O-N 3.28Å; T77-F85 HydrophobicContact CG2-CE1 3.99Å; T77-F137 WeakPolarHBondContact O-CE2 3.44Å; T77-F137 WeakPolarHBondContact O-CZ 3.23Å; T77-F137 WeakPolarHBondContact OG1-CZ 3.38Å
78	L	41.9	Very low	55	Low	32 Å²	32	80.1 Å²	80.1	17%	0.168	42%	0.42	C	S	.	.			trans	-52.3	120.4	177.9	-60.3	175.5	0	0	0	111.5	M76 F80 D81 F84 L136	M76-L78 PolarHBondContact O-N 3.4Å; L78-F80 PolarHBondContact O-N 3.13Å; L78-D81 PolarHBondContact O-N 3.08Å; L78-F84 HydrophobicContact CD1-CB 3.41Å; L78-F84 VanDerWaalsContact CD1-CB 3.41Å; L78-F84 VanDerWaalsContact CD1-O 3.27Å; L78-F84 WeakPolarHBondContact CD1-O 3.42Å; L78-F84 HydrophobicContact CG-CB 4.45Å; L78-F84 WeakPolarHBondContact CG-O 3.39Å; L78-L136 HydrophobicContact CD2-CB 3.11Å; L78-L136 HydrophobicContact CD2-CD1 3.3Å; L78-L136 HydrophobicContact CD2-CD2 3.94Å; L78-L136 HydrophobicContact CD2-CG 3.54Å; L78-L136 HydrophobicContact CG-CB 4.42Å
79	A	38.6	Very low	54	Low	54 Å²	54	85.1 Å²	85.1	45%	0.446	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	115.3	167.6	0	0	0	0	0	107.2	T77	T77-A79 PolarHBondContact O-N 3.28Å
80	F	43.2	Very low	53.4	Low	214 Å²	214	84.5 Å²	84.5	94%	0.939	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	100	-4.5	178.6	-67.9	-88.3	0	0	0	119.5	L78	L78-F80 PolarHBondContact O-N 3.13Å
81	D	37.1	Very low	52.8	Low	98 Å²	98	84.7 Å²	84.7	52%	0.524	44%	0.441	S	S	.	.			trans	-147.9	112.3	170.5	-139.6	-32.3	0	0	0	111.6	L78 S83	L78-D81 PolarHBondContact O-N 3.08Å; D81-S83 VanDerWaalsContact CG-OG 3.27Å; D81-S83 PolarHBondContact O-N 3.33Å; D81-S83 PolarHBondContact OD1-OG 3.2Å
82	I	41.1	Very low	52.6	Low	157 Å²	157	81.8 Å²	81.8	81%	0.805	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-4.3	-176.3	-60.2	168.3	0	0	0	111.2
83	S	41.1	Very low	52.8	Low	82 Å²	82	75.2 Å²	75.2	57%	0.573	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-4.3	-165.7	59.5	0	0	0	0	115.8	D81	D81-S83 VanDerWaalsContact CG-OG 3.27Å; D81-S83 PolarHBondContact O-N 3.33Å; D81-S83 PolarHBondContact OD1-OG 3.2Å
84	F	38.6	Very low	53.7	Low	151 Å²	151	69.7 Å²	69.7	66%	0.662	37%	0.365	S	S	*	.			trans	-138.1	120.8	176.6	-103.5	-101.3	0	0	0	111.3	L78	L78-F84 HydrophobicContact CD1-CB 3.41Å; L78-F84 VanDerWaalsContact CD1-CB 3.41Å; L78-F84 VanDerWaalsContact CD1-O 3.27Å; L78-F84 WeakPolarHBondContact CD1-O 3.42Å; L78-F84 HydrophobicContact CG-CB 4.45Å; L78-F84 WeakPolarHBondContact CG-O 3.39Å
85	F	42.3	Very low	55.1	Low	113 Å²	113	68.2 Å²	68.2	50%	0.496	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-100.4	131.9	166.1	-67.7	-84.6	0	0	0	108.7	L75 M76 T77	L75-F85 HydrophobicContact CD2-CB 4.49Å; L75-F85 HydrophobicContact CD2-CD1 3.35Å; L75-F85 HydrophobicContact CD2-CE1 3.72Å; L75-F85 HydrophobicContact CD2-CG 4.09Å; M76-F85 WeakPolarHBondContact O-CA 3.49Å; T77-F85 HydrophobicContact CG2-CE1 3.99Å
86	S	44.2	Very low	57	Low	46 Å²	46	63.2 Å²	63.2	32%	0.322	33%	0.33	S	S	.	.			trans	-113.2	99	172.3	-167.7	0	0	0	0	110.2	M76 K88	M76-S86 WeakPolarHBondContact CB-O 3.28Å; M76-S86 WeakPolarHBondContact CG-O 3.21Å; M76-S86 PolarHBondContact O-N 3.17Å; S86-K88 PolarHBondContact O-N 3.34Å; S86-K88 WeakPolarHBondContact OG-CD 3.4Å; S86-K88 WeakPolarHBondContact OG-CE 3.38Å
87	V	46.5	Very low	58.9	Low	68 Å²	68	62.9 Å²	62.9	41%	0.412	33%	0.33	S	S	.	.			trans	-72.4	118.7	-179.9	-171.8	0	0	0	0	109.1	E73	E73-V87 HydrophobicContact CB-CG1 3.29Å; E73-V87 HydrophobicContact CG-CG1 4.18Å; E73-V87 WeakPolarHBondContact OE2-CG1 3.38Å
88	K	58.7	Low	61.1	Low	73 Å²	73	59.5 Å²	59.5	32%	0.317	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	140.3	-164.4	-92.9	-179.5	168.4	-170.2	0	112	V74 S86 C90 K132 T133	V74-K88 PolarHBondContact N-O 3.09Å; V74-K88 PolarHBondContact O-N 3.05Å; S86-K88 PolarHBondContact O-N 3.34Å; S86-K88 WeakPolarHBondContact OG-CD 3.4Å; S86-K88 WeakPolarHBondContact OG-CE 3.38Å; K88-C90 PolarHBondContact O-N 2.99Å; K88-K132 PolarHBondContact NZ-O 2.78Å; K88-T133 HydrophobicContact CB-CG2 3.42Å; K88-T133 VanDerWaalsContact CB-CG2 3.42Å; K88-T133 HydrophobicContact CD-CG2 3.54Å; K88-T133 WeakPolarHBondContact CD-O 3.49Å; K88-T133 HydrophobicContact CG-CG2 3.56Å
89	K	65.9	Low	63.4	Low	104 Å²	104	58 Å²	58	45%	0.452	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	130.1	176.2	-69.2	-165.1	173.3	-163.9	0	111.6	E73 T133	E73-K89 HydrophobicContact CG-CG 4.04Å; K89-T133 WeakPolarHBondContact O-CG2 3.35Å
90	C	71.4	Confident	65.6	Low	17 Å²	17	56 Å²	56	12%	0.115	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	131.7	170.6	-175.8	0	0	0	0	108.9	I55 E69 S70 V74 K88	I55-C90 HydrophobicContact CD1-CB 4.32Å; I55-C90 HydrophobicContact CG2-CB 4.36Å; E69-C90 WeakPolarHBondContact CA-O 3.42Å; S70-C90 PolarHBondContact N-O 2.81Å; S70-C90 PolarHBondContact OG-N 3.27Å; S70-C90 PolarHBondContact OG-O 3.09Å; V74-C90 HydrophobicContact CG2-CB 4.15Å; K88-C90 PolarHBondContact O-N 2.99Å
91	T	72.4	Confident	67.8	Low	6 Å²	6	48.3 Å²	48.3	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.9	177.3	57.5	0	0	0	0	110	F68 E69 R131	F68-T91 CarbonylContact O-C 3.31Å; F68-T91 VanDerWaalsContact O-CA 3.26Å; F68-T91 WeakPolarHBondContact O-CA 3.45Å; E69-T91 HydrophobicContact CB-CG2 4.39Å; E69-T91 HydrophobicContact CG-CG2 4.03Å; T91-R131 PolarHBondContact OG1-N 2.99Å
92	L	77.6	Confident	70.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	125.2	177.3	171.7	72.6	0	0	0	108.4	F48 L67 F68 I94 F128 F148 F150	F48-L92 HydrophobicContact CE2-CD2 4.27Å; F48-L92 HydrophobicContact CZ-CD2 4.44Å; L67-L92 CarbonylContact C-O 3.58Å; L67-L92 WeakPolarHBondContact CA-O 3.44Å; F68-L92 HydrophobicContact CB-CB 4.19Å; F68-L92 HydrophobicContact CD1-CB 4.49Å; F68-L92 PolarHBondContact N-O 3.04Å; F68-L92 PolarHBondContact O-N 3.47Å; L92-I94 HydrophobicContact CD1-CD1 4.09Å; L92-I94 HydrophobicContact CD1-CG1 3.92Å; L92-I94 HydrophobicContact CD2-CD1 3.84Å; L92-I94 HydrophobicContact CD2-CG1 4.37Å; L92-I94 HydrophobicContact CG-CD1 3.96Å; L92-I94 HydrophobicContact CG-CG1 3.93Å; L92-F128 HydrophobicContact CD1-CD2 3.42Å; L92-F128 VanDerWaalsContact CD1-CD2 3.42Å; L92-F128 HydrophobicContact CD1-CE2 3.67Å; L92-F148 HydrophobicContact CD1-CD1 3.9Å; L92-F148 HydrophobicContact CD1-CE1 3.45Å; L92-F148 VanDerWaalsContact CD1-CE1 3.45Å; L92-F148 HydrophobicContact CD1-CZ 3.95Å; L92-F148 HydrophobicContact CD2-CD1 3.65Å; L92-F148 HydrophobicContact CD2-CE1 4.11Å; L92-F148 HydrophobicContact CD2-CG 4.18Å; L92-F148 HydrophobicContact CG-CD1 4.43Å; L92-F148 HydrophobicContact CG-CE1 4.43Å; L92-F150 HydrophobicContact CD2-CE1 4.17Å; L92-F150 HydrophobicContact CD2-CZ 3.58Å
93	D	79.6	Confident	72.7	Confident	16 Å²	16	39.2 Å²	39.2	9%	0.086	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	112.3	-179.9	174.4	-7.7	0	0	0	108.8	R65 L66 L67 H129	R65-D93 VanDerWaalsContact CD-OD1 3.32Å; R65-D93 WeakPolarHBondContact CD-OD1 2.94Å; R65-D93 IonicContact CZ-OD2 2.88Å; R65-D93 IonicContact NE-OD1 3.22Å; R65-D93 IonicContact NH1-OD1 3.35Å; R65-D93 IonicContact NH1-OD2 3.16Å; R65-D93 PolarHBondContact NH1-OD2 3.08Å; L66-D93 WeakPolarHBondContact O-CA 3.29Å; L67-D93 HydrophobicContact CD1-CB 4.11Å; D93-H129 HydrophobicContact CB-CB 4.06Å
94	I	85.1	Confident	75.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	109	-175.1	-59.1	175.7	0	0	0	108.6	R65 L66 L92 L96 I99 F148	R65-I94 CarbonylContact C-O 3.51Å; R65-I94 WeakPolarHBondContact CA-O 3.39Å; R65-I94 WeakPolarHBondContact CB-O 3.27Å; L66-I94 HydrophobicContact CB-CB 4.45Å; L66-I94 HydrophobicContact CD2-CD1 4.42Å; L66-I94 PolarHBondContact N-O 3.49Å; L66-I94 PolarHBondContact O-N 3.3Å; L92-I94 HydrophobicContact CD1-CD1 4.09Å; L92-I94 HydrophobicContact CD1-CG1 3.92Å; L92-I94 HydrophobicContact CD2-CD1 3.84Å; L92-I94 HydrophobicContact CD2-CG1 4.37Å; L92-I94 HydrophobicContact CG-CD1 3.96Å; L92-I94 HydrophobicContact CG-CG1 3.93Å; I94-L96 PolarHBondContact O-N 2.76Å; I94-I99 HydrophobicContact CG2-CD1 4.48Å; I94-I99 HydrophobicContact CG2-CG1 4.07Å; I94-F148 HydrophobicContact CD1-CB 4.4Å; I94-F148 HydrophobicContact CD1-CD1 4.29Å; I94-F148 HydrophobicContact CD1-CD2 3.41Å; I94-F148 VanDerWaalsContact CD1-CD2 3.41Å; I94-F148 HydrophobicContact CD1-CE2 3.67Å; I94-F148 HydrophobicContact CD1-CG 3.76Å; I94-F148 HydrophobicContact CD1-CZ 4.25Å; I94-F148 HydrophobicContact CG1-CE2 4.36Å
95	P	88.5	Confident	77.5	Confident	6 Å²	6	35 Å²	35	4%	0.039	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	130.4	169.3	-19.7	31.7	0	0	0	110.3	Y64 G97 T98 F127	Y64-P95 HydrophobicContact CE1-CB 4.47Å; Y64-P95 HydrophobicContact CE2-CB 4.15Å; Y64-P95 CarbonylContact O-C 3.52Å; Y64-P95 WeakPolarHBondContact O-CA 3.46Å; P95-G97 PolarHBondContact O-N 2.63Å; P95-T98 HydrophobicContact CB-CG2 3.99Å; P95-T98 HydrophobicContact CG-CG2 4.24Å; P95-T98 WeakPolarHBondContact O-CB 3.43Å; P95-T98 PolarHBondContact O-N 2.94Å; P95-T98 PolarHBondContact O-OG1 3.17Å; P95-F127 HydrophobicContact CG-CD1 4.19Å; P95-F127 HydrophobicContact CG-CE1 3.63Å; P95-F127 HydrophobicContact CG-CZ 4.22Å
96	L	91.6	Very high	79.5	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-60.7	-32.5	-173.4	-64.5	-176.3	0	0	0	112.6	T62 Y64 L66 I94 T98 I99 L166 L169 A170	T62-L96 WeakPolarHBondContact O-CD1 3.42Å; Y64-L96 WeakPolarHBondContact O-CG 3.38Å; Y64-L96 PolarHBondContact O-N 2.81Å; L66-L96 HydrophobicContact CB-CD2 4.33Å; I94-L96 PolarHBondContact O-N 2.76Å; L96-T98 PolarHBondContact O-N 3.25Å; L96-T98 VanDerWaalsContact O-N 3.12Å; L96-I99 HydrophobicContact CD2-CD1 3.73Å; L96-I99 WeakPolarHBondContact O-CB 3.38Å; L96-I99 PolarHBondContact O-N 2.97Å; L96-L166 HydrophobicContact CD2-CD2 3.67Å; L96-L169 HydrophobicContact CD1-CB 3.46Å; L96-L169 VanDerWaalsContact CD1-CB 3.46Å; L96-L169 HydrophobicContact CD1-CD1 4.43Å; L96-A170 HydrophobicContact CB-CB 4.2Å
97	G	89.4	Confident	81.1	Confident	9 Å²	9	36.5 Å²	36.5	9%	0.093	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-62.1	-18.7	176.4	0	0	0	0	0	114.6	P95 K124 Y540	P95-G97 PolarHBondContact O-N 2.63Å; G97-K124 PolarHBondContact O-NZ 3.06Å; G97-Y540 CarbonylContact C-O 3.15Å; G97-Y540 WeakPolarHBondContact CA-O 3.17Å; G97-Y540 VanDerWaalsContact O-O 3.11Å
98	T	88.2	Confident	82.3	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-81.4	-17.9	175.8	72.9	0	0	0	0	112.6	P95 L96 N100 C123 K124 F127	P95-T98 HydrophobicContact CB-CG2 3.99Å; P95-T98 HydrophobicContact CG-CG2 4.24Å; P95-T98 WeakPolarHBondContact O-CB 3.43Å; P95-T98 PolarHBondContact O-N 2.94Å; P95-T98 PolarHBondContact O-OG1 3.17Å; L96-T98 PolarHBondContact O-N 3.25Å; L96-T98 VanDerWaalsContact O-N 3.12Å; T98-N100 PolarHBondContact O-N 3.46Å; T98-C123 CarbonylContact O-C 3.59Å; T98-C123 VanDerWaalsContact O-CA 3.32Å; T98-C123 WeakPolarHBondContact O-CA 3.35Å; T98-K124 WeakPolarHBondContact O-CG 3.46Å; T98-K124 PolarHBondContact O-N 2.99Å; T98-F127 HydrophobicContact CG2-CD1 4.23Å; T98-F127 HydrophobicContact CG2-CD2 3.48Å; T98-F127 VanDerWaalsContact CG2-CD2 3.48Å; T98-F127 HydrophobicContact CG2-CE1 4.15Å; T98-F127 HydrophobicContact CG2-CE2 3.38Å; T98-F127 HydrophobicContact CG2-CG 3.91Å; T98-F127 HydrophobicContact CG2-CZ 3.74Å
99	I	89.4	Confident	82.9	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	128.7	178.9	-58	177.7	0	0	0	108.6	I94 L96 L102 I121 K124 A170 F171	I94-I99 HydrophobicContact CG2-CD1 4.48Å; I94-I99 HydrophobicContact CG2-CG1 4.07Å; L96-I99 HydrophobicContact CD2-CD1 3.73Å; L96-I99 WeakPolarHBondContact O-CB 3.38Å; L96-I99 PolarHBondContact O-N 2.97Å; I99-L102 HydrophobicContact CG2-CD1 4.49Å; I99-L102 HydrophobicContact CG2-CD2 4.15Å; I99-L102 HydrophobicContact CG2-CG 3.93Å; I99-I121 HydrophobicContact CB-CG2 4.35Å; I99-I121 HydrophobicContact CD1-CG2 3.92Å; I99-I121 HydrophobicContact CG1-CG2 3.76Å; I99-I121 HydrophobicContact CG2-CG2 3.84Å; I99-K124 WeakPolarHBondContact O-CE 3.37Å; I99-A170 HydrophobicContact CB-CB 4.11Å; I99-A170 HydrophobicContact CD1-CB 4.03Å; I99-A170 HydrophobicContact CG2-CB 4.38Å; I99-F171 HydrophobicContact CG2-CE1 4.35Å; I99-F171 HydrophobicContact CG2-CZ 3.78Å
100	N	86.5	Confident	83.2	Confident	12 Å²	12	41.5 Å²	41.5	6%	0.064	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-39.1	178.4	-167	50.4	0	0	0	111.8	T98 F122 K124 P498 R503	T98-N100 PolarHBondContact O-N 3.46Å; N100-F122 WeakPolarHBondContact CA-O 3.38Å; N100-F122 VanDerWaalsContact CB-O 3.27Å; N100-F122 WeakPolarHBondContact CB-O 3.35Å; N100-F122 PolarHBondContact N-O 3.3Å; N100-K124 HydrophobicContact CB-CG 3.71Å; N100-P498 WeakPolarHBondContact ND2-CB 3.42Å; N100-R503 PolarHBondContact OD1-NH1 3.18Å
101	R	87.8	Confident	83.3	Confident	51 Å²	51	41.7 Å²	41.7	19%	0.192	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	150.7	-177.1	-173.5	178.6	71.7	168.4	12.4	110.6	D103 F122 P498	R101-D103 WeakPolarHBondContact CD-OD1 3.48Å; R101-D103 WeakPolarHBondContact CG-OD1 3.34Å; R101-D103 IonicContact CZ-OD1 3.48Å; R101-D103 IonicContact CZ-OD2 2.78Å; R101-D103 IonicContact NE-OD1 3.45Å; R101-D103 PolarHBondContact NE-OD1 2.91Å; R101-D103 IonicContact NE-OD2 3.06Å; R101-D103 PolarHBondContact NE-OD2 2.85Å; R101-D103 IonicContact NH1-OD2 3.93Å; R101-D103 IonicContact NH2-OD2 3.48Å; R101-D103 PolarHBondContact NH2-OD2 3.15Å; R101-F122 HydrophobicContact CB-CB 4.13Å; R101-F122 HydrophobicContact CB-CD2 4.17Å; R101-F122 HydrophobicContact CB-CG 4.45Å; R101-F122 HydrophobicContact CG-CD2 4.42Å; R101-F122 PolarHBondContact N-O 3.49Å; R101-F122 PolarHBondContact O-N 3.36Å; R101-P498 HydrophobicContact CB-CB 4.35Å; R101-P498 HydrophobicContact CB-CG 4.18Å; R101-P498 HydrophobicContact CG-CG 4.24Å
102	L	91.2	Very high	83.2	Confident	14 Å²	14	53 Å²	53	7%	0.073	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.5	172	-70.8	166.2	0	0	0	109.3	I99 E120 I121 F163 L166 Q167 F171	I99-L102 HydrophobicContact CG2-CD1 4.49Å; I99-L102 HydrophobicContact CG2-CD2 4.15Å; I99-L102 HydrophobicContact CG2-CG 3.93Å; L102-E120 WeakPolarHBondContact CA-O 3.42Å; L102-I121 HydrophobicContact CD2-CB 4.02Å; L102-I121 HydrophobicContact CD2-CD1 4.13Å; L102-I121 HydrophobicContact CD2-CG1 3.57Å; L102-I121 HydrophobicContact CD2-CG2 3.96Å; L102-F163 HydrophobicContact CB-CE2 3.81Å; L102-F163 HydrophobicContact CB-CZ 4.03Å; L102-L166 HydrophobicContact CD1-CB 3.7Å; L102-Q167 HydrophobicContact CD1-CB 4.24Å; L102-F171 HydrophobicContact CD1-CE2 3.87Å; L102-F171 HydrophobicContact CG-CE2 4.16Å
103	D	90.9	Very high	83	Confident	51 Å²	51	55.2 Å²	55.2	27%	0.273	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.1	177.9	-65.8	-16.2	0	0	0	110.5	R101 F119 E120 F122	R101-D103 WeakPolarHBondContact CD-OD1 3.48Å; R101-D103 WeakPolarHBondContact CG-OD1 3.34Å; R101-D103 IonicContact CZ-OD1 3.48Å; R101-D103 IonicContact CZ-OD2 2.78Å; R101-D103 IonicContact NE-OD1 3.45Å; R101-D103 PolarHBondContact NE-OD1 2.91Å; R101-D103 IonicContact NE-OD2 3.06Å; R101-D103 PolarHBondContact NE-OD2 2.85Å; R101-D103 IonicContact NH1-OD2 3.93Å; R101-D103 IonicContact NH2-OD2 3.48Å; R101-D103 PolarHBondContact NH2-OD2 3.15Å; D103-F119 CarbonylContact O-C 3.5Å; D103-F119 VanDerWaalsContact O-CA 3.23Å; D103-F119 WeakPolarHBondContact O-CA 3.49Å; D103-F119 WeakPolarHBondContact O-CB 3.39Å; D103-E120 PolarHBondContact N-O 2.95Å; D103-E120 PolarHBondContact O-N 3.33Å; D103-F122 HydrophobicContact CB-CE2 4.14Å; D103-F122 WeakPolarHBondContact OD2-CE2 3.46Å
104	K	91.6	Very high	82.8	Confident	112 Å²	112	62.5 Å²	62.5	49%	0.487	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	135	173.2	-67.8	-179.3	-177.6	173.9	0	109.5	F163	K104-F163 HydrophobicContact CB-CE2 4.5Å; K104-F163 HydrophobicContact CD-CD1 4.38Å; K104-F163 HydrophobicContact CD-CE1 4.31Å; K104-F163 HydrophobicContact CD-CZ 4.43Å; K104-F163 HydrophobicContact CG-CD1 4.2Å; K104-F163 HydrophobicContact CG-CD2 3.74Å; K104-F163 HydrophobicContact CG-CE1 4.01Å; K104-F163 HydrophobicContact CG-CE2 3.53Å; K104-F163 HydrophobicContact CG-CG 4.07Å; K104-F163 HydrophobicContact CG-CZ 3.68Å
105	M	88.5	Confident	82.7	Confident	33 Å²	33	64.5 Å²	64.5	16%	0.163	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.3	170.1	-57.6	-172.1	-57	0	0	109.4	L49 S116 G118 F119 E120 R149 F150 R159	L49-M105 HydrophobicContact CD1-CE 4.41Å; M105-S116 CarbonylContact C-O 3.54Å; M105-G118 PolarHBondContact N-O 2.97Å; M105-G118 PolarHBondContact O-N 3.25Å; M105-G118 VanDerWaalsContact O-O 3.1Å; M105-F119 WeakPolarHBondContact CE-O 3.47Å; M105-E120 HydrophobicContact CG-CB 4.22Å; M105-E120 HydrophobicContact SD-CB 4.15Å; M105-R149 HydrophobicContact CE-CB 4.08Å; M105-R149 HydrophobicContact CE-CG 4.37Å; M105-R149 HydrophobicContact SD-CB 4.3Å; M105-R149 HydrophobicContact SD-CG 3.94Å; M105-F150 VanDerWaalsContact CE-O 3.24Å; M105-F150 WeakPolarHBondContact CE-O 3.09Å; M105-R159 PolarHBondContact O-NH1 3.38Å; M105-R159 VanDerWaalsContact O-NH1 3.13Å
106	G	83.4	Confident	82.5	Confident	22 Å²	22	66 Å²	66	23%	0.227	33%	0.332	C	S	.	.	S	Bend	trans	73.1	170.9	174.7	0	0	0	0	0	116.9	S111 S116 R159	G106-S111 WeakPolarHBondContact CA-OG 3.25Å; G106-S116 WeakPolarHBondContact CA-O 3.39Å; G106-S116 PolarHBondContact N-O 2.9Å; G106-R159 PolarHBondContact O-NH1 3.26Å
107	Y	78.2	Confident	82.3	Confident	168 Å²	168	66.5 Å²	66.5	66%	0.659	33%	0.334	S	S	*	.			trans	-123.8	140	175.2	-63	-85.4	0	0	0	109.3	N109 M110 S111	Y107-N109 PolarHBondContact O-N 2.94Å; Y107-M110 PolarHBondContact O-N 2.99Å; Y107-S111 PolarHBondContact N-OG 2.85Å; Y107-S111 VanDerWaalsContact O-CB 3.29Å; Y107-S111 WeakPolarHBondContact O-CB 3.23Å; Y107-S111 PolarHBondContact O-N 3.41Å; Y107-S111 PolarHBondContact O-OG 2.72Å
108	S	71.8	Confident	82.4	Confident	57 Å²	57	66 Å²	66	40%	0.399	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.4	-174.2	45.6	0	0	0	0	113.9	Q154	S108-Q154 PolarHBondContact O-OE1 3.13Å
109	N	71.5	Confident	82.6	Confident	143 Å²	143	66 Å²	66	77%	0.765	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-3.1	-171.3	-48.5	11.7	0	0	0	112.3	Y107	Y107-N109 PolarHBondContact O-N 2.94Å
110	M	71.6	Confident	82.6	Confident	149 Å²	149	67.3 Å²	67.3	73%	0.734	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.4	-25.8	-170.4	-59.6	-179.7	70.1	0	0	113.6	Y107 R112	Y107-M110 PolarHBondContact O-N 2.99Å; M110-R112 PolarHBondContact O-N 3.45Å; M110-R112 VanDerWaalsContact O-N 3.07Å
111	S	74.8	Confident	82.7	Confident	21 Å²	21	66.7 Å²	66.7	15%	0.147	33%	0.332	C	S	.	.			trans	-75.7	96.7	-179.8	-77.3	0	0	0	0	110.5	G106 Y107 S116 Q154	G106-S111 WeakPolarHBondContact CA-OG 3.25Å; Y107-S111 PolarHBondContact N-OG 2.85Å; Y107-S111 VanDerWaalsContact O-CB 3.29Å; Y107-S111 WeakPolarHBondContact O-CB 3.23Å; Y107-S111 PolarHBondContact O-N 3.41Å; Y107-S111 PolarHBondContact O-OG 2.72Å; S111-S116 VanDerWaalsContact CB-OG 3.31Å; S111-S116 WeakPolarHBondContact CB-OG 3.42Å; S111-S116 PolarHBondContact OG-O 2.89Å; S111-Q154 PolarHBondContact O-NE2 3.26Å
112	R	70.4	Confident	82.6	Confident	243 Å²	243	65.7 Å²	65.7	92%	0.917	33%	0.329	S	S	*	.			trans	-95.6	-11.7	176.8	-65.5	-174.5	179.3	169.7	-0.3	114	M110	M110-R112 PolarHBondContact O-N 3.45Å; M110-R112 VanDerWaalsContact O-N 3.07Å
113	G	73.4	Confident	82.1	Confident	47 Å²	47	65.2 Å²	65.2	49%	0.485	33%	0.327	S	S	.	.	S	Bend	trans	-72.8	144.7	179.7	0	0	0	0	0	111.7	D115 S116	G113-D115 PolarHBondContact O-N 2.75Å; G113-S116 PolarHBondContact N-OG 3.41Å; G113-S116 WeakPolarHBondContact O-CB 3.42Å; G113-S116 PolarHBondContact O-N 2.85Å; G113-S116 PolarHBondContact O-OG 3.31Å
114	E	76	Confident	81.5	Confident	170 Å²	170	63.3 Å²	63.3	79%	0.794	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	135.4	167.7	-169.4	172.8	-167.5	0	0	109.5	S116	E114-S116 PolarHBondContact O-N 2.99Å
115	D	81.5	Confident	80.2	Confident	41 Å²	41	58.1 Å²	58.1	22%	0.219	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	9.6	-179.8	-63.8	-39	0	0	0	117.2	L49 K54 G113 Y117 S151	L49-D115 HydrophobicContact CD1-CB 4.01Å; L49-D115 HydrophobicContact CD2-CB 3.73Å; K54-D115 WeakPolarHBondContact CD-OD1 3.47Å; K54-D115 WeakPolarHBondContact CD-OD2 3.25Å; K54-D115 WeakPolarHBondContact CE-OD1 3.46Å; K54-D115 IonicContact NZ-OD1 3.82Å; K54-D115 PolarHBondContact NZ-OD1 3.22Å; K54-D115 IonicContact NZ-OD2 3.31Å; G113-D115 PolarHBondContact O-N 2.75Å; D115-Y117 PolarHBondContact O-N 2.96Å; D115-S151 WeakPolarHBondContact OD1-CB 3.45Å; D115-S151 PolarHBondContact OD1-OG 3.18Å
116	S	83.9	Confident	78.5	Confident	37 Å²	37	56.7 Å²	56.7	26%	0.259	29%	0.287	S	S	.	.			trans	-78.6	-2.6	-178.6	67.7	0	0	0	0	114.6	M105 G106 S111 G113 E114	M105-S116 CarbonylContact C-O 3.54Å; G106-S116 WeakPolarHBondContact CA-O 3.39Å; G106-S116 PolarHBondContact N-O 2.9Å; S111-S116 VanDerWaalsContact CB-OG 3.31Å; S111-S116 WeakPolarHBondContact CB-OG 3.42Å; S111-S116 PolarHBondContact OG-O 2.89Å; G113-S116 PolarHBondContact N-OG 3.41Å; G113-S116 WeakPolarHBondContact O-CB 3.42Å; G113-S116 PolarHBondContact O-N 2.85Å; G113-S116 PolarHBondContact O-OG 3.31Å; E114-S116 PolarHBondContact O-N 2.99Å
117	Y	88.7	Confident	76.7	Confident	15 Å²	15	56.4 Å²	56.4	6%	0.059	28%	0.279	C	S	.	.	S	Bend	trans	-118.6	121.2	-179.8	-174.2	-98.3	0	0	0	111	D115 S151 S152 Q154 R159	D115-Y117 PolarHBondContact O-N 2.96Å; Y117-S151 CarbonylContact O-C 3.38Å; Y117-S151 VanDerWaalsContact O-CA 3.32Å; Y117-S151 WeakPolarHBondContact O-CA 3.26Å; Y117-S152 WeakPolarHBondContact CD1-O 3.3Å; Y117-S152 PolarHBondContact O-N 3.5Å; Y117-Q154 HydrophobicContact CD1-CG 3.72Å; Y117-Q154 HydrophobicContact CD2-CG 3.95Å; Y117-Q154 HydrophobicContact CE1-CG 4.12Å; Y117-Q154 HydrophobicContact CE2-CG 4.32Å; Y117-Q154 HydrophobicContact CG-CG 3.61Å; Y117-R159 HydrophobicContact CD1-CB 4.4Å; Y117-R159 HydrophobicContact CE1-CB 3.64Å; Y117-R159 HydrophobicContact CE1-CG 4.31Å; Y117-R159 VanDerWaalsContact CE2-NH1 3.28Å; Y117-R159 VanDerWaalsContact CE2-NH2 3.31Å; Y117-R159 PolarHBondContact OH-NE 3.28Å; Y117-R159 PolarHBondContact OH-NH2 3.45Å
118	G	91.2	Very high	74.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-150.6	-170.3	0	0	0	0	0	114	M105 F150 R159	M105-G118 PolarHBondContact N-O 2.97Å; M105-G118 PolarHBondContact O-N 3.25Å; M105-G118 VanDerWaalsContact O-O 3.1Å; G118-F150 CarbonylContact C-O 3.58Å; G118-F150 WeakPolarHBondContact CA-O 3.21Å; G118-R159 WeakPolarHBondContact O-CD 3.16Å
119	F	91.7	Very high	73.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	160.3	174.1	60.7	-89.6	0	0	0	111.8	M59 D103 M105 I121 F150 R159 L162 F163 L166	M59-F119 HydrophobicContact CE-CE1 3.87Å; M59-F119 HydrophobicContact CE-CZ 3.41Å; M59-F119 VanDerWaalsContact CE-CZ 3.41Å; M59-F119 HydrophobicContact SD-CZ 3.83Å; D103-F119 CarbonylContact O-C 3.5Å; D103-F119 VanDerWaalsContact O-CA 3.23Å; D103-F119 WeakPolarHBondContact O-CA 3.49Å; D103-F119 WeakPolarHBondContact O-CB 3.39Å; M105-F119 WeakPolarHBondContact CE-O 3.47Å; F119-I121 HydrophobicContact CD2-CD1 4.48Å; F119-I121 HydrophobicContact CD2-CG1 3.96Å; F119-I121 HydrophobicContact CE2-CD1 3.95Å; F119-I121 HydrophobicContact CE2-CG1 3.89Å; F119-F150 HydrophobicContact CD2-CB 4.5Å; F119-F150 HydrophobicContact CD2-CD2 4.13Å; F119-F150 HydrophobicContact CE1-CB 3.98Å; F119-F150 HydrophobicContact CE2-CB 3.94Å; F119-F150 AromaticContact CE2-CD2 3.38Å; F119-F150 HydrophobicContact CE2-CD2 3.38Å; F119-F150 HydrophobicContact CE2-CE2 4.13Å; F119-F150 AromaticContact CE2-CG 3.93Å; F119-F150 HydrophobicContact CE2-CG 3.93Å; F119-F150 HydrophobicContact CZ-CB 3.63Å; F119-F150 AromaticContact CZ-CD2 3.79Å; F119-F150 HydrophobicContact CZ-CD2 3.79Å; F119-F150 AromaticContact CZ-CG 3.85Å; F119-F150 HydrophobicContact CZ-CG 3.85Å; F119-F150 PolarHBondContact N-O 3.31Å; F119-F150 PolarHBondContact O-N 3.42Å; F119-R159 HydrophobicContact CD1-CG 4.29Å; F119-L162 HydrophobicContact CE1-CB 4.3Å; F119-L162 HydrophobicContact CE1-CD1 4.32Å; F119-F163 HydrophobicContact CB-CD2 3.74Å; F119-F163 HydrophobicContact CB-CE2 4.25Å; F119-F163 HydrophobicContact CG-CD2 4.31Å; F119-L166 HydrophobicContact CE2-CD1 3.95Å; F119-L166 HydrophobicContact CZ-CD1 4.25Å
120	E	90.1	Very high	71.5	Confident	27 Å²	27	42.2 Å²	42.2	13%	0.126	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.7	-177	-168.6	170.7	-142.1	0	0	109.7	L102 D103 M105 F122 T147 F148 R149	L102-E120 WeakPolarHBondContact CA-O 3.42Å; D103-E120 PolarHBondContact N-O 2.95Å; D103-E120 PolarHBondContact O-N 3.33Å; M105-E120 HydrophobicContact CG-CB 4.22Å; M105-E120 HydrophobicContact SD-CB 4.15Å; E120-F122 HydrophobicContact CB-CE2 4.07Å; E120-F122 HydrophobicContact CG-CD2 4.41Å; E120-F122 HydrophobicContact CG-CE2 3.67Å; E120-F122 HydrophobicContact CG-CZ 3.76Å; E120-F122 WeakPolarHBondContact OE2-CZ 3.38Å; E120-T147 VanDerWaalsContact CD-CG2 3.41Å; E120-T147 HydrophobicContact CG-CG2 3.18Å; E120-T147 WeakPolarHBondContact OE1-CG2 3.38Å; E120-F148 CarbonylContact C-O 3.5Å; E120-F148 WeakPolarHBondContact CA-O 3.45Å; E120-R149 HydrophobicContact CB-CG 4.34Å; E120-R149 HydrophobicContact CG-CG 3.76Å; E120-R149 WeakPolarHBondContact OE1-CG 3.34Å; E120-R149 IonicContact OE1-CZ 3.96Å; E120-R149 IonicContact OE1-NE 3.28Å; E120-R149 PolarHBondContact OE1-NE 2.71Å; E120-R149 IonicContact OE1-NH2 3.44Å; E120-R149 PolarHBondContact OE1-NH2 2.69Å
121	I	88.6	Confident	69.7	Low	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.2	179.6	-49.6	-168.1	0	0	0	108.9	L66 I99 L102 F119 T147 F148 F150 L166	L66-I121 HydrophobicContact CD1-CD1 3.48Å; L66-I121 VanDerWaalsContact CD1-CD1 3.48Å; I99-I121 HydrophobicContact CB-CG2 4.35Å; I99-I121 HydrophobicContact CD1-CG2 3.92Å; I99-I121 HydrophobicContact CG1-CG2 3.76Å; I99-I121 HydrophobicContact CG2-CG2 3.84Å; L102-I121 HydrophobicContact CD2-CB 4.02Å; L102-I121 HydrophobicContact CD2-CD1 4.13Å; L102-I121 HydrophobicContact CD2-CG1 3.57Å; L102-I121 HydrophobicContact CD2-CG2 3.96Å; F119-I121 HydrophobicContact CD2-CD1 4.48Å; F119-I121 HydrophobicContact CD2-CG1 3.96Å; F119-I121 HydrophobicContact CE2-CD1 3.95Å; F119-I121 HydrophobicContact CE2-CG1 3.89Å; I121-T147 CarbonylContact O-C 3.52Å; I121-T147 WeakPolarHBondContact O-CA 3.46Å; I121-F148 HydrophobicContact CB-CB 4.28Å; I121-F148 PolarHBondContact N-O 3.12Å; I121-F148 PolarHBondContact O-N 2.92Å; I121-F150 HydrophobicContact CD1-CD2 4.35Å; I121-F150 HydrophobicContact CD1-CE2 3.78Å; I121-F150 HydrophobicContact CG1-CD2 4.32Å; I121-F150 HydrophobicContact CG1-CE2 4.05Å; I121-L166 HydrophobicContact CD1-CD1 4.36Å
122	F	84.8	Confident	67.9	Low	30 Å²	30	44 Å²	44	13%	0.132	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.2	173.7	-60.4	-97.4	0	0	0	110	N100 R101 D103 E120 R146 T147	N100-F122 WeakPolarHBondContact CA-O 3.38Å; N100-F122 VanDerWaalsContact CB-O 3.27Å; N100-F122 WeakPolarHBondContact CB-O 3.35Å; N100-F122 PolarHBondContact N-O 3.3Å; R101-F122 HydrophobicContact CB-CB 4.13Å; R101-F122 HydrophobicContact CB-CD2 4.17Å; R101-F122 HydrophobicContact CB-CG 4.45Å; R101-F122 HydrophobicContact CG-CD2 4.42Å; R101-F122 PolarHBondContact N-O 3.49Å; R101-F122 PolarHBondContact O-N 3.36Å; D103-F122 HydrophobicContact CB-CE2 4.14Å; D103-F122 WeakPolarHBondContact OD2-CE2 3.46Å; E120-F122 HydrophobicContact CB-CE2 4.07Å; E120-F122 HydrophobicContact CG-CD2 4.41Å; E120-F122 HydrophobicContact CG-CE2 3.67Å; E120-F122 HydrophobicContact CG-CZ 3.76Å; E120-F122 WeakPolarHBondContact OE2-CZ 3.38Å; F122-R146 CarbonylContact C-O 3.45Å; F122-R146 WeakPolarHBondContact CA-O 3.34Å; F122-T147 HydrophobicContact CD1-CG2 3.6Å; F122-T147 WeakPolarHBondContact CD1-OG1 3.42Å; F122-T147 HydrophobicContact CD2-CG2 4.34Å; F122-T147 HydrophobicContact CE1-CG2 3.45Å; F122-T147 VanDerWaalsContact CE1-CG2 3.45Å; F122-T147 HydrophobicContact CE2-CG2 4.19Å; F122-T147 HydrophobicContact CG-CG2 4.05Å; F122-T147 HydrophobicContact CZ-CG2 3.76Å
123	C	82.7	Confident	66.2	Low	4 Å²	4	34 Å²	34	3%	0.027	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	145.8	-179.1	-67.3	0	0	0	0	112.6	T98 V125 R146	T98-C123 CarbonylContact O-C 3.59Å; T98-C123 VanDerWaalsContact O-CA 3.32Å; T98-C123 WeakPolarHBondContact O-CA 3.35Å; C123-V125 VanDerWaalsContact C-N 3.3Å; C123-V125 PolarHBondContact O-N 3.3Å; C123-R146 HydrophobicContact CB-CB 4.37Å; C123-R146 PolarHBondContact N-O 2.72Å
124	K	76.4	Confident	64.4	Low	11 Å²	11	33.3 Å²	33.3	5%	0.048	16%	0.163	C	C	.	.	S	Bend	trans	-62.6	-37.9	179.1	-66.4	170.5	-176.2	167.9	0	111.9	G97 T98 I99 N100 R396 V491 G492 Y540	G97-K124 PolarHBondContact O-NZ 3.06Å; T98-K124 WeakPolarHBondContact O-CG 3.46Å; T98-K124 PolarHBondContact O-N 2.99Å; I99-K124 WeakPolarHBondContact O-CE 3.37Å; N100-K124 HydrophobicContact CB-CG 3.71Å; K124-R396 VanDerWaalsContact O-CZ 3.24Å; K124-R396 PolarHBondContact O-NH1 3.23Å; K124-R396 VanDerWaalsContact O-NH1 3.12Å; K124-R396 PolarHBondContact O-NH2 2.9Å; K124-V491 HydrophobicContact CD-CG1 4.17Å; K124-V491 WeakPolarHBondContact CE-O 3.38Å; K124-V491 PolarHBondContact NZ-O 2.88Å; K124-G492 PolarHBondContact NZ-O 2.99Å; K124-Y540 HydrophobicContact CB-CD1 4Å; K124-Y540 HydrophobicContact CB-CE1 4.33Å; K124-Y540 HydrophobicContact CD-CD1 4Å
125	V	65.4	Low	62.7	Low	2 Å²	2	28.7 Å²	28.7	1%	0.012	14%	0.142	C	C	.	.	S	Bend	trans	-131.3	154.1	-176.8	172.7	0	0	0	0	108.9	C123 F127 Y540 Y607	C123-V125 VanDerWaalsContact C-N 3.3Å; C123-V125 PolarHBondContact O-N 3.3Å; V125-F127 HydrophobicContact CB-CD2 4.4Å; V125-F127 HydrophobicContact CG1-CD2 4.47Å; V125-F127 PolarHBondContact O-N 3.29Å; V125-Y540 HydrophobicContact CB-CD2 3.97Å; V125-Y540 HydrophobicContact CB-CE2 3.96Å; V125-Y540 HydrophobicContact CB-CG 4.48Å; V125-Y540 HydrophobicContact CG1-CD2 4.43Å; V125-Y540 HydrophobicContact CG1-CE2 4.27Å; V125-Y540 HydrophobicContact CG2-CD1 4Å; V125-Y540 HydrophobicContact CG2-CD2 3.49Å; V125-Y540 VanDerWaalsContact CG2-CD2 3.49Å; V125-Y540 HydrophobicContact CG2-CE1 3.61Å; V125-Y540 HydrophobicContact CG2-CE2 3.07Å; V125-Y540 HydrophobicContact CG2-CG 3.97Å; V125-Y540 WeakPolarHBondContact CG2-OH 3.32Å; V125-Y607 HydrophobicContact CG1-CE2 4.34Å; V125-Y607 WeakPolarHBondContact CG1-OH 3.35Å
126	F	51.6	Low	60.4	Low	3 Å²	3	30.8 Å²	30.8	1%	0.013	15%	0.152	C	C	.	.			trans	-43.3	105	164.8	-68.5	-67.6	0	0	0	108.7	F145 R146 C399 Y608 R610 W611	F126-F145 HydrophobicContact CD1-CB 3.91Å; F126-F145 HydrophobicContact CE1-CB 4.47Å; F126-R146 HydrophobicContact CD1-CG 4.15Å; F126-R146 VanDerWaalsContact CE2-CZ 3.43Å; F126-C399 HydrophobicContact CE1-CB 4.08Å; F126-C399 HydrophobicContact CZ-CB 3.56Å; F126-Y608 HydrophobicContact CD2-CD1 4.5Å; F126-Y608 WeakPolarHBondContact CD2-O 3.41Å; F126-Y608 WeakPolarHBondContact CE1-O 3.19Å; F126-Y608 AromaticContact CE2-CD1 3.97Å; F126-Y608 HydrophobicContact CE2-CD1 3.97Å; F126-Y608 WeakPolarHBondContact CE2-O 3.37Å; F126-Y608 WeakPolarHBondContact CZ-O 3.38Å; F126-R610 PolarHBondContact O-NH2 3.06Å; F126-W611 VanDerWaalsContact C-CD1 3.49Å; F126-W611 PolarHBondContact O-NE1 3.04Å
127	F	45.8	Very low	58.1	Low	16 Å²	16	29.7 Å²	29.7	7%	0.07	14%	0.143	C	C	.	.			trans	-133.5	113.7	178.3	-117.6	-86.5	0	0	0	108.6	P95 T98 V125 F145 F148 D537	P95-F127 HydrophobicContact CG-CD1 4.19Å; P95-F127 HydrophobicContact CG-CE1 3.63Å; P95-F127 HydrophobicContact CG-CZ 4.22Å; T98-F127 HydrophobicContact CG2-CD1 4.23Å; T98-F127 HydrophobicContact CG2-CD2 3.48Å; T98-F127 VanDerWaalsContact CG2-CD2 3.48Å; T98-F127 HydrophobicContact CG2-CE1 4.15Å; T98-F127 HydrophobicContact CG2-CE2 3.38Å; T98-F127 HydrophobicContact CG2-CG 3.91Å; T98-F127 HydrophobicContact CG2-CZ 3.74Å; V125-F127 HydrophobicContact CB-CD2 4.4Å; V125-F127 HydrophobicContact CG1-CD2 4.47Å; V125-F127 PolarHBondContact O-N 3.29Å; F127-F145 PolarHBondContact N-O 3.28Å; F127-F148 WeakPolarHBondContact O-CZ 3.35Å; F127-D537 HydrophobicContact CE2-CB 4.27Å; F127-D537 HydrophobicContact CZ-CB 3.79Å
128	F	38.3	Very low	55.7	Low	16 Å²	16	30.6 Å²	30.6	7%	0.07	15%	0.151	C	C	.	.			trans	-146.3	89.4	171.1	-178.5	-105.8	0	0	0	109	L92 A130 V134 L142 F148 W611	L92-F128 HydrophobicContact CD1-CD2 3.42Å; L92-F128 VanDerWaalsContact CD1-CD2 3.42Å; L92-F128 HydrophobicContact CD1-CE2 3.67Å; F128-A130 VanDerWaalsContact C-N 3.31Å; F128-A130 HydrophobicContact CD1-CB 3.83Å; F128-A130 HydrophobicContact CE1-CB 3.16Å; F128-A130 HydrophobicContact CZ-CB 3.72Å; F128-A130 PolarHBondContact O-N 2.68Å; F128-V134 HydrophobicContact CE1-CB 4.45Å; F128-V134 HydrophobicContact CE1-CG1 4.26Å; F128-L142 HydrophobicContact CD1-CD1 4.49Å; F128-L142 HydrophobicContact CD2-CD1 3.76Å; F128-L142 HydrophobicContact CE1-CD1 4.41Å; F128-L142 HydrophobicContact CE2-CD1 3.73Å; F128-L142 HydrophobicContact CG-CD1 4.17Å; F128-L142 HydrophobicContact CZ-CD1 4.07Å; F128-F148 HydrophobicContact CD2-CE1 4.18Å; F128-W611 HydrophobicContact CB-CB 4.05Å; F128-W611 HydrophobicContact CB-CD2 3.53Å; F128-W611 HydrophobicContact CB-CE3 3.83Å; F128-W611 HydrophobicContact CB-CG 3.63Å; F128-W611 HydrophobicContact CB-CZ3 4.5Å; F128-W611 HydrophobicContact CD1-CE3 4.21Å; F128-W611 VanDerWaalsContact N-CZ2 3.3Å; F128-W611 WeakPolarHBondContact O-CH2 3.26Å; F128-W611 WeakPolarHBondContact O-CZ3 3.21Å
129	H	39.3	Very low	53	Low	31 Å²	31	33.5 Å²	33.5	14%	0.144	17%	0.172	C	C	.	.			trans	-82.5	84.3	170.1	-165.4	73.4	0	0	0	109.4	D93	D93-H129 HydrophobicContact CB-CB 4.06Å
130	A	35.3	Very low	50.3	Low	23 Å²	23	36 Å²	36	19%	0.19	19%	0.189	C	C	.	.			trans	-73	129.1	156	0	0	0	0	0	108.8	F128 V134	F128-A130 VanDerWaalsContact C-N 3.31Å; F128-A130 HydrophobicContact CD1-CB 3.83Å; F128-A130 HydrophobicContact CE1-CB 3.16Å; F128-A130 HydrophobicContact CZ-CB 3.72Å; F128-A130 PolarHBondContact O-N 2.68Å; A130-V134 HydrophobicContact CB-CB 3.45Å; A130-V134 VanDerWaalsContact CB-CB 3.45Å; A130-V134 HydrophobicContact CB-CG1 4.39Å; A130-V134 HydrophobicContact CB-CG2 3.43Å; A130-V134 VanDerWaalsContact CB-CG2 3.43Å
131	R	34	Very low	47.9	Very low	65 Å²	65	36.9 Å²	36.9	25%	0.245	19%	0.192	C	C	.	.			trans	-50.9	163.5	161.9	-72.6	-179.9	168.9	148.2	0.3	110	E69 T91 T133 V134	E69-R131 IonicContact OE1-CZ 3.68Å; E69-R131 IonicContact OE1-NH1 2.75Å; E69-R131 PolarHBondContact OE1-NH1 3.27Å; E69-R131 IonicContact OE1-NH2 3.79Å; T91-R131 PolarHBondContact OG1-N 2.99Å; R131-T133 WeakPolarHBondContact O-CA 3.46Å; R131-T133 WeakPolarHBondContact O-CB 3.47Å; R131-T133 PolarHBondContact O-N 3.25Å; R131-V134 PolarHBondContact O-N 3Å
132	K	36.2	Very low	45.7	Very low	144 Å²	144	37.5 Å²	37.5	63%	0.626	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.6	40	177.1	-109.1	-170.7	-176	-173.6	0	117	T26 K88	T26-K132 HydrophobicContact CG2-CB 3.83Å; T26-K132 HydrophobicContact CG2-CD 3.63Å; T26-K132 HydrophobicContact CG2-CG 3.63Å; K88-K132 PolarHBondContact NZ-O 2.78Å
133	T	34.9	Very low	43.5	Very low	32 Å²	32	41 Å²	41	20%	0.196	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-154.3	-22	-143	-54.5	0	0	0	0	110.5	K88 K89 R131	K88-T133 HydrophobicContact CB-CG2 3.42Å; K88-T133 VanDerWaalsContact CB-CG2 3.42Å; K88-T133 HydrophobicContact CD-CG2 3.54Å; K88-T133 WeakPolarHBondContact CD-O 3.49Å; K88-T133 HydrophobicContact CG-CG2 3.56Å; K89-T133 WeakPolarHBondContact O-CG2 3.35Å; R131-T133 WeakPolarHBondContact O-CA 3.46Å; R131-T133 WeakPolarHBondContact O-CB 3.47Å; R131-T133 PolarHBondContact O-N 3.25Å
134	V	35.5	Very low	41.6	Very low	32 Å²	32	42.5 Å²	42.5	19%	0.194	22%	0.22	C	C	.	.			trans	-117	47.1	170.4	-166.8	0	0	0	0	109.9	M76 F128 A130 R131	M76-V134 HydrophobicContact CE-CB 4.27Å; M76-V134 HydrophobicContact CE-CG1 3.97Å; M76-V134 HydrophobicContact CE-CG2 4.33Å; F128-V134 HydrophobicContact CE1-CB 4.45Å; F128-V134 HydrophobicContact CE1-CG1 4.26Å; A130-V134 HydrophobicContact CB-CB 3.45Å; A130-V134 VanDerWaalsContact CB-CB 3.45Å; A130-V134 HydrophobicContact CB-CG1 4.39Å; A130-V134 HydrophobicContact CB-CG2 3.43Å; A130-V134 VanDerWaalsContact CB-CG2 3.43Å; R131-V134 PolarHBondContact O-N 3Å
135	E	40.5	Very low	40.6	Very low	74 Å²	74	42.1 Å²	42.1	35%	0.346	22%	0.218	S	C	.	.	S	Bend	trans	-89.7	-5.7	178.3	-85.2	-174.6	146.6	0	0	113.7	H619	E135-H619 IonicContact OE1-CE1 3.76Å; E135-H619 IonicContact OE1-CG 3.67Å; E135-H619 IonicContact OE1-ND1 2.8Å; E135-H619 PolarHBondContact OE1-ND1 3.29Å; E135-H619 IonicContact OE2-CE1 3.64Å; E135-H619 IonicContact OE2-ND1 3.4Å; E135-H619 PolarHBondContact OE2-ND1 2.89Å
136	L	34.9	Very low	40.5	Very low	84 Å²	84	42.9 Å²	42.9	44%	0.44	22%	0.221	S	C	.	.	S	Bend	trans	-146.9	51.9	-172.3	-69.7	146.5	0	0	0	112.1	L78	L78-L136 HydrophobicContact CD2-CB 3.11Å; L78-L136 HydrophobicContact CD2-CD1 3.3Å; L78-L136 HydrophobicContact CD2-CD2 3.94Å; L78-L136 HydrophobicContact CD2-CG 3.54Å; L78-L136 HydrophobicContact CG-CB 4.42Å
137	F	35.6	Very low	41.6	Very low	14 Å²	14	43.4 Å²	43.4	6%	0.061	23%	0.225	C	C	.	.			trans	-140.5	101.4	171.5	-124.4	-92.3	0	0	0	116.7	M76 T77 F141 P613	M76-F137 HydrophobicContact CB-CD2 3.35Å; M76-F137 HydrophobicContact CB-CE2 3.52Å; M76-F137 HydrophobicContact CB-CG 4.35Å; M76-F137 HydrophobicContact CE-CB 3.55Å; M76-F137 HydrophobicContact CE-CD2 3.98Å; M76-F137 HydrophobicContact CE-CG 3.97Å; M76-F137 HydrophobicContact CG-CD2 3.97Å; M76-F137 HydrophobicContact CG-CE2 4.48Å; M76-F137 HydrophobicContact SD-CB 3.87Å; M76-F137 HydrophobicContact SD-CD1 4.4Å; M76-F137 HydrophobicContact SD-CD2 3.55Å; M76-F137 VanDerWaalsContact SD-CD2 3.55Å; M76-F137 HydrophobicContact SD-CE2 4.37Å; M76-F137 HydrophobicContact SD-CG 3.61Å; T77-F137 WeakPolarHBondContact O-CE2 3.44Å; T77-F137 WeakPolarHBondContact O-CZ 3.23Å; T77-F137 WeakPolarHBondContact OG1-CZ 3.38Å; F137-F141 HydrophobicContact CD1-CD1 4.24Å; F137-F141 HydrophobicContact CD1-CD2 4.16Å; F137-F141 AromaticContact CD1-CE1 3.63Å; F137-F141 HydrophobicContact CD1-CE1 3.63Å; F137-F141 AromaticContact CD1-CE2 3.57Å; F137-F141 HydrophobicContact CD1-CE2 3.57Å; F137-F141 HydrophobicContact CD1-CG 4.47Å; F137-F141 AromaticContact CD1-CZ 3.27Å; F137-F141 HydrophobicContact CD1-CZ 3.27Å; F137-F141 HydrophobicContact CE1-CE1 4.22Å; F137-F141 AromaticContact CE1-CE2 3.86Å; F137-F141 HydrophobicContact CE1-CE2 3.86Å; F137-F141 AromaticContact CE1-CZ 3.49Å; F137-F141 HydrophobicContact CE1-CZ 3.49Å; F137-F141 VanDerWaalsContact CE1-CZ 3.49Å; F137-F141 HydrophobicContact CG-CZ 4.49Å; F137-P613 VanDerWaalsContact C-CB 3.44Å; F137-P613 WeakPolarHBondContact O-CB 3.38Å; F137-P613 WeakPolarHBondContact O-CG 3.45Å
138	C	36.4	Very low	43.2	Very low	34 Å²	34	42.7 Å²	42.7	23%	0.23	22%	0.222	C	C	.	.			trans	66.6	116.2	135.1	-150.7	0	0	0	0	117.8	S140 F141	C138-S140 PolarHBondContact O-N 3.47Å; C138-S140 PolarHBondContact SG-OG 2.66Å; C138-F141 HydrophobicContact CB-CD2 3.3Å; C138-F141 HydrophobicContact CB-CE2 3.32Å; C138-F141 HydrophobicContact CB-CG 4.23Å; C138-F141 HydrophobicContact CB-CZ 4.24Å; C138-F141 WeakPolarHBondContact SG-CE2 3.09Å
139	S	34.6	Very low	45.6	Very low	62 Å²	62	45.6 Å²	45.6	43%	0.434	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	17.5	174.1	51.4	0	0	0	0	115.1	Y402	S139-Y402 WeakPolarHBondContact O-CD1 3.24Å
140	S	35.7	Very low	48	Very low	52 Å²	52	44.1 Å²	44.1	36%	0.364	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.7	26.9	-171.1	55.8	0	0	0	0	113	C51 C138	C51-S140 CarbonylContact C-O 3.48Å; C51-S140 PolarHBondContact SG-O 3.21Å; C138-S140 PolarHBondContact O-N 3.47Å; C138-S140 PolarHBondContact SG-OG 2.66Å
141	F	40.4	Very low	50.7	Low	45 Å²	45	43.1 Å²	43.1	20%	0.197	22%	0.217	C	C	.	.	S	Bend	trans	-112.1	-12.9	-166.4	-89.7	-116.2	0	0	0	119	S50 C51 A52 F137 C138	S50-F141 WeakPolarHBondContact CB-O 3.47Å; C51-F141 PolarHBondContact N-O 3.34Å; C51-F141 VanDerWaalsContact N-O 3.14Å; C51-F141 WeakPolarHBondContact SG-CA 3.43Å; C51-F141 PolarHBondContact SG-N 3.43Å; C51-F141 VanDerWaalsContact SG-N 3.35Å; A52-F141 HydrophobicContact CB-CD1 3.32Å; A52-F141 HydrophobicContact CB-CD2 3.95Å; A52-F141 HydrophobicContact CB-CE1 3Å; A52-F141 HydrophobicContact CB-CE2 3.66Å; A52-F141 HydrophobicContact CB-CG 3.81Å; A52-F141 HydrophobicContact CB-CZ 3.19Å; F137-F141 HydrophobicContact CD1-CD1 4.24Å; F137-F141 HydrophobicContact CD1-CD2 4.16Å; F137-F141 AromaticContact CD1-CE1 3.63Å; F137-F141 HydrophobicContact CD1-CE1 3.63Å; F137-F141 AromaticContact CD1-CE2 3.57Å; F137-F141 HydrophobicContact CD1-CE2 3.57Å; F137-F141 HydrophobicContact CD1-CG 4.47Å; F137-F141 AromaticContact CD1-CZ 3.27Å; F137-F141 HydrophobicContact CD1-CZ 3.27Å; F137-F141 HydrophobicContact CE1-CE1 4.22Å; F137-F141 AromaticContact CE1-CE2 3.86Å; F137-F141 HydrophobicContact CE1-CE2 3.86Å; F137-F141 AromaticContact CE1-CZ 3.49Å; F137-F141 HydrophobicContact CE1-CZ 3.49Å; F137-F141 VanDerWaalsContact CE1-CZ 3.49Å; F137-F141 HydrophobicContact CG-CZ 4.49Å; C138-F141 HydrophobicContact CB-CD2 3.3Å; C138-F141 HydrophobicContact CB-CE2 3.32Å; C138-F141 HydrophobicContact CB-CG 4.23Å; C138-F141 HydrophobicContact CB-CZ 4.24Å; C138-F141 WeakPolarHBondContact SG-CE2 3.09Å
142	L	41.8	Very low	53.3	Low	14 Å²	14	40.5 Å²	40.5	7%	0.073	21%	0.209	C	C	.	.			trans	-141.8	101.8	173.3	-69.3	172.2	0	0	0	115.6	F48 C51 F128 D144 F145 Y402	F48-L142 HydrophobicContact CE1-CD2 3.69Å; F48-L142 HydrophobicContact CZ-CD2 3.36Å; C51-L142 VanDerWaalsContact SG-CA 3.52Å; C51-L142 PolarHBondContact SG-N 3.38Å; F128-L142 HydrophobicContact CD1-CD1 4.49Å; F128-L142 HydrophobicContact CD2-CD1 3.76Å; F128-L142 HydrophobicContact CE1-CD1 4.41Å; F128-L142 HydrophobicContact CE2-CD1 3.73Å; F128-L142 HydrophobicContact CG-CD1 4.17Å; F128-L142 HydrophobicContact CZ-CD1 4.07Å; L142-D144 WeakPolarHBondContact O-CA 3.3Å; L142-D144 PolarHBondContact O-N 3.39Å; L142-F145 HydrophobicContact CB-CD1 4Å; L142-F145 HydrophobicContact CB-CE1 3.81Å; L142-F145 HydrophobicContact CB-CZ 4.49Å; L142-F145 HydrophobicContact CD1-CD1 3.86Å; L142-F145 HydrophobicContact CD1-CE1 3.84Å; L142-F145 HydrophobicContact CG-CE1 4.33Å; L142-Y402 PolarHBondContact O-OH 3.33Å
143	Q	38.8	Very low	55.6	Low	103 Å²	103	40.8 Å²	40.8	48%	0.481	21%	0.206	S	C	.	.	S	Bend	trans	-42.4	-19.4	-170.2	-161.1	163.6	13.7	0	0	118.3	C51 V400	C51-Q143 PolarHBondContact SG-N 3.15Å; Q143-V400 WeakPolarHBondContact O-CG1 3.44Å
144	D	43.3	Very low	57.8	Low	36 Å²	36	42.7 Å²	42.7	19%	0.193	21%	0.213	C	C	.	.	S	Bend	trans	-169.4	123	167.2	37.5	5.4	0	0	0	107.2	L142 R146 T147 V400	L142-D144 WeakPolarHBondContact O-CA 3.3Å; L142-D144 PolarHBondContact O-N 3.39Å; D144-R146 PolarHBondContact O-N 3.16Å; D144-T147 PolarHBondContact O-N 3.11Å; D144-T147 WeakPolarHBondContact OD1-CB 3.43Å; D144-T147 WeakPolarHBondContact OD2-CB 3.18Å; D144-T147 PolarHBondContact OD2-OG1 3.45Å; D144-V400 HydrophobicContact CB-CG1 3.81Å; D144-V400 HydrophobicContact CB-CG2 3.86Å
145	F	54	Low	59.9	Low	2 Å²	2	48.9 Å²	48.9	1%	0.009	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	22.7	-178.8	-62.2	-73.2	0	0	0	115.6	F126 F127 L142 Y402 W611 N612	F126-F145 HydrophobicContact CD1-CB 3.91Å; F126-F145 HydrophobicContact CE1-CB 4.47Å; F127-F145 PolarHBondContact N-O 3.28Å; L142-F145 HydrophobicContact CB-CD1 4Å; L142-F145 HydrophobicContact CB-CE1 3.81Å; L142-F145 HydrophobicContact CB-CZ 4.49Å; L142-F145 HydrophobicContact CD1-CD1 3.86Å; L142-F145 HydrophobicContact CD1-CE1 3.84Å; L142-F145 HydrophobicContact CG-CE1 4.33Å; F145-Y402 WeakPolarHBondContact CE2-OH 3.44Å; F145-Y402 HydrophobicContact CZ-CE1 4.48Å; F145-Y402 WeakPolarHBondContact CZ-OH 3.22Å; F145-W611 HydrophobicContact CB-CB 3.93Å; F145-W611 HydrophobicContact CB-CG 4.41Å; F145-W611 HydrophobicContact CD1-CB 3.22Å; F145-W611 HydrophobicContact CD1-CG 4.36Å; F145-W611 HydrophobicContact CD2-CB 4.38Å; F145-W611 HydrophobicContact CE1-CB 3.8Å; F145-W611 WeakPolarHBondContact CE1-O 3.11Å; F145-W611 HydrophobicContact CG-CB 3.59Å; F145-W611 WeakPolarHBondContact CZ-O 3.48Å; F145-N612 HydrophobicContact CE2-CB 3.93Å; F145-N612 HydrophobicContact CZ-CB 4.04Å
146	R	63.7	Low	61.7	Low	18 Å²	18	48.4 Å²	48.4	7%	0.068	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.9	-14.2	177.6	-67.8	-171.7	-116.9	-150.2	5.2	112.8	F122 C123 F126 D144 R396	F122-R146 CarbonylContact C-O 3.45Å; F122-R146 WeakPolarHBondContact CA-O 3.34Å; C123-R146 HydrophobicContact CB-CB 4.37Å; C123-R146 PolarHBondContact N-O 2.72Å; F126-R146 HydrophobicContact CD1-CG 4.15Å; F126-R146 VanDerWaalsContact CE2-CZ 3.43Å; D144-R146 PolarHBondContact O-N 3.16Å; R146-R396 VanDerWaalsContact NH2-CD 3.34Å
147	T	74.4	Confident	63.9	Low	15 Å²	15	51 Å²	51	9%	0.092	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.4	176.1	-38.7	0	0	0	0	110.2	E120 I121 F122 D144	E120-T147 VanDerWaalsContact CD-CG2 3.41Å; E120-T147 HydrophobicContact CG-CG2 3.18Å; E120-T147 WeakPolarHBondContact OE1-CG2 3.38Å; I121-T147 CarbonylContact O-C 3.52Å; I121-T147 WeakPolarHBondContact O-CA 3.46Å; F122-T147 HydrophobicContact CD1-CG2 3.6Å; F122-T147 WeakPolarHBondContact CD1-OG1 3.42Å; F122-T147 HydrophobicContact CD2-CG2 4.34Å; F122-T147 HydrophobicContact CE1-CG2 3.45Å; F122-T147 VanDerWaalsContact CE1-CG2 3.45Å; F122-T147 HydrophobicContact CE2-CG2 4.19Å; F122-T147 HydrophobicContact CG-CG2 4.05Å; F122-T147 HydrophobicContact CZ-CG2 3.76Å; D144-T147 PolarHBondContact O-N 3.11Å; D144-T147 WeakPolarHBondContact OD1-CB 3.43Å; D144-T147 WeakPolarHBondContact OD2-CB 3.18Å; D144-T147 PolarHBondContact OD2-OG1 3.45Å
148	F	80.8	Confident	66.4	Low	1 Å²	1	50.3 Å²	50.3	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	116.3	-178	-58.6	-82.1	0	0	0	108.4	F48 L92 I94 E120 I121 F127 F128 F150	F48-F148 HydrophobicContact CE2-CB 4.25Å; F48-F148 AromaticContact CE2-CD1 3.84Å; F48-F148 HydrophobicContact CE2-CD1 3.84Å; F48-F148 AromaticContact CZ-CD1 4Å; F48-F148 HydrophobicContact CZ-CD1 4Å; L92-F148 HydrophobicContact CD1-CD1 3.9Å; L92-F148 HydrophobicContact CD1-CE1 3.45Å; L92-F148 VanDerWaalsContact CD1-CE1 3.45Å; L92-F148 HydrophobicContact CD1-CZ 3.95Å; L92-F148 HydrophobicContact CD2-CD1 3.65Å; L92-F148 HydrophobicContact CD2-CE1 4.11Å; L92-F148 HydrophobicContact CD2-CG 4.18Å; L92-F148 HydrophobicContact CG-CD1 4.43Å; L92-F148 HydrophobicContact CG-CE1 4.43Å; I94-F148 HydrophobicContact CD1-CB 4.4Å; I94-F148 HydrophobicContact CD1-CD1 4.29Å; I94-F148 HydrophobicContact CD1-CD2 3.41Å; I94-F148 VanDerWaalsContact CD1-CD2 3.41Å; I94-F148 HydrophobicContact CD1-CE2 3.67Å; I94-F148 HydrophobicContact CD1-CG 3.76Å; I94-F148 HydrophobicContact CD1-CZ 4.25Å; I94-F148 HydrophobicContact CG1-CE2 4.36Å; E120-F148 CarbonylContact C-O 3.5Å; E120-F148 WeakPolarHBondContact CA-O 3.45Å; I121-F148 HydrophobicContact CB-CB 4.28Å; I121-F148 PolarHBondContact N-O 3.12Å; I121-F148 PolarHBondContact O-N 2.92Å; F127-F148 WeakPolarHBondContact O-CZ 3.35Å; F128-F148 HydrophobicContact CD2-CE1 4.18Å; F148-F150 HydrophobicContact CB-CD2 4.35Å; F148-F150 HydrophobicContact CB-CE2 3.51Å; F148-F150 HydrophobicContact CB-CZ 4Å
149	R	86.9	Confident	68.9	Low	77 Å²	77	50 Å²	50	29%	0.291	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.4	177.1	-73	-176.9	-169.9	148.7	15.6	109.9	F48 L49 M105 E120	F48-R149 WeakPolarHBondContact CD2-O 3.47Å; L49-R149 HydrophobicContact CB-CB 3.87Å; L49-R149 HydrophobicContact CD1-CB 4.09Å; L49-R149 HydrophobicContact CG-CB 4.23Å; L49-R149 PolarHBondContact N-O 3.19Å; M105-R149 HydrophobicContact CE-CB 4.08Å; M105-R149 HydrophobicContact CE-CG 4.37Å; M105-R149 HydrophobicContact SD-CB 4.3Å; M105-R149 HydrophobicContact SD-CG 3.94Å; E120-R149 HydrophobicContact CB-CG 4.34Å; E120-R149 HydrophobicContact CG-CG 3.76Å; E120-R149 WeakPolarHBondContact OE1-CG 3.34Å; E120-R149 IonicContact OE1-CZ 3.96Å; E120-R149 IonicContact OE1-NE 3.28Å; E120-R149 PolarHBondContact OE1-NE 2.71Å; E120-R149 IonicContact OE1-NH2 3.44Å; E120-R149 PolarHBondContact OE1-NH2 2.69Å
150	F	90.9	Very high	71.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.4	175.3	-60.3	-87.9	0	0	0	109.5	I46 G47 F48 M59 L66 F68 L92 M105 G118 F119 I121 F148	I46-F150 HydrophobicContact CG2-CB 4.02Å; I46-F150 HydrophobicContact CG2-CD1 3.94Å; I46-F150 HydrophobicContact CG2-CG 4.4Å; G47-F150 CarbonylContact O-C 3.58Å; G47-F150 WeakPolarHBondContact O-CA 3.21Å; F48-F150 HydrophobicContact CB-CD1 4.17Å; F48-F150 HydrophobicContact CB-CE1 4.17Å; F48-F150 AromaticContact CD2-CD1 3.98Å; F48-F150 HydrophobicContact CD2-CD1 3.98Å; F48-F150 AromaticContact CD2-CE1 3.63Å; F48-F150 HydrophobicContact CD2-CE1 3.63Å; F48-F150 HydrophobicContact CD2-CZ 4.07Å; F48-F150 HydrophobicContact CE2-CE1 4.43Å; F48-F150 HydrophobicContact CE2-CZ 4.44Å; F48-F150 HydrophobicContact CG-CE1 4.21Å; M59-F150 HydrophobicContact SD-CD1 4.46Å; M59-F150 HydrophobicContact SD-CE1 4.47Å; L66-F150 HydrophobicContact CD2-CZ 4.2Å; F68-F150 HydrophobicContact CB-CE1 4.2Å; F68-F150 HydrophobicContact CD2-CD1 4.41Å; F68-F150 HydrophobicContact CD2-CE1 4.05Å; F68-F150 HydrophobicContact CG-CE1 4.12Å; L92-F150 HydrophobicContact CD2-CE1 4.17Å; L92-F150 HydrophobicContact CD2-CZ 3.58Å; M105-F150 VanDerWaalsContact CE-O 3.24Å; M105-F150 WeakPolarHBondContact CE-O 3.09Å; G118-F150 CarbonylContact C-O 3.58Å; G118-F150 WeakPolarHBondContact CA-O 3.21Å; F119-F150 HydrophobicContact CD2-CB 4.5Å; F119-F150 HydrophobicContact CD2-CD2 4.13Å; F119-F150 HydrophobicContact CE1-CB 3.98Å; F119-F150 HydrophobicContact CE2-CB 3.94Å; F119-F150 AromaticContact CE2-CD2 3.38Å; F119-F150 HydrophobicContact CE2-CD2 3.38Å; F119-F150 HydrophobicContact CE2-CE2 4.13Å; F119-F150 AromaticContact CE2-CG 3.93Å; F119-F150 HydrophobicContact CE2-CG 3.93Å; F119-F150 HydrophobicContact CZ-CB 3.63Å; F119-F150 AromaticContact CZ-CD2 3.79Å; F119-F150 HydrophobicContact CZ-CD2 3.79Å; F119-F150 AromaticContact CZ-CG 3.85Å; F119-F150 HydrophobicContact CZ-CG 3.85Å; F119-F150 PolarHBondContact N-O 3.31Å; F119-F150 PolarHBondContact O-N 3.42Å; I121-F150 HydrophobicContact CD1-CD2 4.35Å; I121-F150 HydrophobicContact CD1-CE2 3.78Å; I121-F150 HydrophobicContact CG1-CD2 4.32Å; I121-F150 HydrophobicContact CG1-CE2 4.05Å; F148-F150 HydrophobicContact CB-CD2 4.35Å; F148-F150 HydrophobicContact CB-CE2 3.51Å; F148-F150 HydrophobicContact CB-CZ 4Å
151	S	91.4	Very high	74.1	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.014	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	152.1	168.6	71	0	0	0	0	111.1	G47 K54 D115 Y117	G47-S151 PolarHBondContact N-O 3.37Å; G47-S151 PolarHBondContact O-N 3.1Å; K54-S151 WeakPolarHBondContact CE-OG 3.43Å; D115-S151 WeakPolarHBondContact OD1-CB 3.45Å; D115-S151 PolarHBondContact OD1-OG 3.18Å; Y117-S151 CarbonylContact O-C 3.38Å; Y117-S151 VanDerWaalsContact O-CA 3.32Å; Y117-S151 WeakPolarHBondContact O-CA 3.26Å
152	S	88.5	Confident	76.5	Confident	10 Å²	10	52.5 Å²	52.5	7%	0.07	24%	0.237	C	C	.	.			trans	-138.9	147.4	175.8	176.5	0	0	0	0	108	Y117	Y117-S152 WeakPolarHBondContact CD1-O 3.3Å; Y117-S152 PolarHBondContact O-N 3.5Å
153	R	84	Confident	78.8	Confident	149 Å²	149	52.3 Å²	52.3	56%	0.562	24%	0.236	S	C	*	.			trans	-69.8	138	171.5	-64.8	-175.6	-178.2	177.6	1.9	109.1	E155 N156	R153-E155 PolarHBondContact O-N 3.19Å; R153-N156 HydrophobicContact CB-CB 4.49Å; R153-N156 PolarHBondContact O-N 3.19Å
154	Q	81.7	Confident	81.3	Confident	73 Å²	73	51.7 Å²	51.7	34%	0.341	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.6	-38.6	-179.3	-70.1	171.8	10	0	0	111.6	S108 S111 Y117 N156 H157	S108-Q154 PolarHBondContact O-OE1 3.13Å; S111-Q154 PolarHBondContact O-NE2 3.26Å; Y117-Q154 HydrophobicContact CD1-CG 3.72Å; Y117-Q154 HydrophobicContact CD2-CG 3.95Å; Y117-Q154 HydrophobicContact CE1-CG 4.12Å; Y117-Q154 HydrophobicContact CE2-CG 4.32Å; Y117-Q154 HydrophobicContact CG-CG 3.61Å; Q154-N156 VanDerWaalsContact C-N 3.29Å; Q154-N156 PolarHBondContact O-N 3.17Å; Q154-H157 PolarHBondContact O-N 3.06Å
155	E	79	Confident	83.6	Confident	161 Å²	161	50.9 Å²	50.9	75%	0.752	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-61	-31.9	178.9	-63.2	164.3	-158.6	0	0	113.3	R153 H157	R153-E155 PolarHBondContact O-N 3.19Å; E155-H157 PolarHBondContact O-CD2 3.41Å; E155-H157 VanDerWaalsContact O-CD2 3.28Å; E155-H157 PolarHBondContact O-N 3.23Å
156	N	78.4	Confident	85.4	Confident	64 Å²	64	50.8 Å²	50.8	34%	0.342	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-77.2	-13	-177.7	-67.5	10.9	0	0	0	112.3	R153 Q154 A158	R153-N156 HydrophobicContact CB-CB 4.49Å; R153-N156 PolarHBondContact O-N 3.19Å; Q154-N156 VanDerWaalsContact C-N 3.29Å; Q154-N156 PolarHBondContact O-N 3.17Å; N156-A158 HydrophobicContact CB-CB 4.42Å; N156-A158 PolarHBondContact O-N 3.43Å
157	H	82.9	Confident	86.7	Confident	139 Å²	139	52.5 Å²	52.5	64%	0.644	24%	0.238	S	C	*	.			trans	53.6	4.6	-175.3	-62.3	-68.9	0	0	0	116.5	Q154 E155 R159 R160 P161	Q154-H157 PolarHBondContact O-N 3.06Å; E155-H157 PolarHBondContact O-CD2 3.41Å; E155-H157 VanDerWaalsContact O-CD2 3.28Å; E155-H157 PolarHBondContact O-N 3.23Å; H157-R159 VanDerWaalsContact C-N 3.32Å; H157-R159 PolarHBondContact O-N 2.79Å; H157-R160 PolarHBondContact O-N 2.65Å; H157-P161 WeakPolarHBondContact O-CD 3.3Å
158	A	86.7	Confident	87.5	Confident	0 Å²	0	57 Å²	57	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.1	-172.1	0	0	0	0	0	114.6	E43 I46 N156 R160 P161 L162	E43-A158 HydrophobicContact CB-CB 4.13Å; E43-A158 VanDerWaalsContact CD-CB 3.48Å; E43-A158 HydrophobicContact CG-CB 3.79Å; E43-A158 WeakPolarHBondContact OE2-CB 3.4Å; I46-A158 HydrophobicContact CD1-CB 4.07Å; N156-A158 HydrophobicContact CB-CB 4.42Å; N156-A158 PolarHBondContact O-N 3.43Å; A158-R160 VanDerWaalsContact C-N 3.31Å; A158-R160 PolarHBondContact O-N 3.06Å; A158-P161 VanDerWaalsContact O-CD 3.26Å; A158-P161 WeakPolarHBondContact O-CD 3.25Å; A158-P161 WeakPolarHBondContact O-CG 3.46Å; A158-L162 HydrophobicContact CB-CD1 4.18Å; A158-L162 WeakPolarHBondContact O-CB 3.5Å; A158-L162 VanDerWaalsContact O-CD1 3.31Å; A158-L162 WeakPolarHBondContact O-CD1 3.3Å; A158-L162 VanDerWaalsContact O-CG 3.3Å; A158-L162 WeakPolarHBondContact O-CG 3.42Å; A158-L162 PolarHBondContact O-N 2.94Å
159	R	89.7	Confident	87.9	Confident	26 Å²	26	58.4 Å²	58.4	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-53.1	-45.7	-178.7	-175.5	-169.6	68.8	164.8	-0.6	112.8	M105 G106 Y117 G118 F119 H157 F163	M105-R159 PolarHBondContact O-NH1 3.38Å; M105-R159 VanDerWaalsContact O-NH1 3.13Å; G106-R159 PolarHBondContact O-NH1 3.26Å; Y117-R159 HydrophobicContact CD1-CB 4.4Å; Y117-R159 HydrophobicContact CE1-CB 3.64Å; Y117-R159 HydrophobicContact CE1-CG 4.31Å; Y117-R159 VanDerWaalsContact CE2-NH1 3.28Å; Y117-R159 VanDerWaalsContact CE2-NH2 3.31Å; Y117-R159 PolarHBondContact OH-NE 3.28Å; Y117-R159 PolarHBondContact OH-NH2 3.45Å; G118-R159 WeakPolarHBondContact O-CD 3.16Å; F119-R159 HydrophobicContact CD1-CG 4.29Å; H157-R159 VanDerWaalsContact C-N 3.32Å; H157-R159 PolarHBondContact O-N 2.79Å; R159-F163 WeakPolarHBondContact O-CB 3.29Å; R159-F163 PolarHBondContact O-N 2.83Å
160	R	88.8	Confident	88.1	Confident	161 Å²	161	54.9 Å²	54.9	61%	0.608	25%	0.251	S	S	*	.	H	α-helix	trans	-66.5	-56.5	-173.5	-176.1	178.1	-177.5	176	-2.1	112.8	H157 A158 L162 F163 E164	H157-R160 PolarHBondContact O-N 2.65Å; A158-R160 VanDerWaalsContact C-N 3.31Å; A158-R160 PolarHBondContact O-N 3.06Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 2.9Å; R160-F163 PolarHBondContact O-N 2.91Å; R160-E164 HydrophobicContact CG-CG 4.39Å; R160-E164 VanDerWaalsContact CG-OE1 3.3Å; R160-E164 WeakPolarHBondContact CG-OE1 3.13Å; R160-E164 IonicContact CZ-OE1 3.69Å; R160-E164 IonicContact NE-OE1 3.89Å; R160-E164 PolarHBondContact NE-OE1 3.03Å; R160-E164 IonicContact NH2-OE1 2.71Å; R160-E164 WeakPolarHBondContact O-CB 3.26Å; R160-E164 WeakPolarHBondContact O-CG 3.43Å; R160-E164 PolarHBondContact O-N 3.14Å
161	P	89.6	Confident	88.3	Confident	51 Å²	51	54.9 Å²	54.9	33%	0.331	25%	0.251	S	S	.	.	H	α-helix	trans	-60.4	-38.8	179.2	22.8	-33	0	0	0	112.1	H157 A158 C165	H157-P161 WeakPolarHBondContact O-CD 3.3Å; A158-P161 VanDerWaalsContact O-CD 3.26Å; A158-P161 WeakPolarHBondContact O-CD 3.25Å; A158-P161 WeakPolarHBondContact O-CG 3.46Å; P161-C165 WeakPolarHBondContact O-CB 3.45Å; P161-C165 PolarHBondContact O-N 3.24Å
162	L	90.7	Very high	88.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-51	175.1	-74.9	166.6	0	0	0	112.7	V41 E43 I46 M59 V61 F119 A158 R160 C165 L166	V41-L162 HydrophobicContact CB-CD2 4.1Å; V41-L162 HydrophobicContact CG1-CD2 3.43Å; V41-L162 VanDerWaalsContact CG1-CD2 3.43Å; V41-L162 HydrophobicContact CG1-CG 3.96Å; E43-L162 HydrophobicContact CB-CD1 3.81Å; E43-L162 HydrophobicContact CB-CD2 4.37Å; E43-L162 HydrophobicContact CB-CG 4.31Å; E43-L162 HydrophobicContact CG-CD1 3.59Å; E43-L162 HydrophobicContact CG-CD2 3.89Å; E43-L162 HydrophobicContact CG-CG 3.64Å; I46-L162 HydrophobicContact CD1-CD1 3.79Å; I46-L162 HydrophobicContact CG1-CD1 4.34Å; M59-L162 HydrophobicContact CE-CB 4.05Å; M59-L162 HydrophobicContact CE-CD1 3.07Å; M59-L162 HydrophobicContact CE-CD2 3.29Å; M59-L162 HydrophobicContact CE-CG 3.61Å; V61-L162 HydrophobicContact CG2-CD2 3.89Å; F119-L162 HydrophobicContact CE1-CB 4.3Å; F119-L162 HydrophobicContact CE1-CD1 4.32Å; A158-L162 HydrophobicContact CB-CD1 4.18Å; A158-L162 WeakPolarHBondContact O-CB 3.5Å; A158-L162 VanDerWaalsContact O-CD1 3.31Å; A158-L162 WeakPolarHBondContact O-CD1 3.3Å; A158-L162 VanDerWaalsContact O-CG 3.3Å; A158-L162 WeakPolarHBondContact O-CG 3.42Å; A158-L162 PolarHBondContact O-N 2.94Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 2.9Å; L162-C165 PolarHBondContact O-N 2.96Å; L162-L166 WeakPolarHBondContact O-CB 3.35Å; L162-L166 VanDerWaalsContact O-CG 3.28Å; L162-L166 WeakPolarHBondContact O-CG 3.33Å; L162-L166 PolarHBondContact O-N 3.2Å
163	F	91.9	Very high	88.3	Confident	11 Å²	11	57.5 Å²	57.5	5%	0.048	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-47.4	-177.9	-172.4	-85.1	0	0	0	111.5	L102 K104 F119 R159 R160 C165 L166 Q167	L102-F163 HydrophobicContact CB-CE2 3.81Å; L102-F163 HydrophobicContact CB-CZ 4.03Å; K104-F163 HydrophobicContact CB-CE2 4.5Å; K104-F163 HydrophobicContact CD-CD1 4.38Å; K104-F163 HydrophobicContact CD-CE1 4.31Å; K104-F163 HydrophobicContact CD-CZ 4.43Å; K104-F163 HydrophobicContact CG-CD1 4.2Å; K104-F163 HydrophobicContact CG-CD2 3.74Å; K104-F163 HydrophobicContact CG-CE1 4.01Å; K104-F163 HydrophobicContact CG-CE2 3.53Å; K104-F163 HydrophobicContact CG-CG 4.07Å; K104-F163 HydrophobicContact CG-CZ 3.68Å; F119-F163 HydrophobicContact CB-CD2 3.74Å; F119-F163 HydrophobicContact CB-CE2 4.25Å; F119-F163 HydrophobicContact CG-CD2 4.31Å; R159-F163 WeakPolarHBondContact O-CB 3.29Å; R159-F163 PolarHBondContact O-N 2.83Å; R160-F163 PolarHBondContact O-N 2.91Å; F163-C165 PolarHBondContact O-N 2.8Å; F163-L166 PolarHBondContact O-N 3.39Å; F163-Q167 VanDerWaalsContact CE1-OE1 3.31Å; F163-Q167 WeakPolarHBondContact O-CB 3.38Å; F163-Q167 PolarHBondContact O-N 2.88Å
164	E	91	Very high	88.5	Confident	89 Å²	89	52.6 Å²	52.6	42%	0.416	25%	0.253	S	S	.	.	H	α-helix	trans	-64	-41.1	179.8	-70.6	175.9	-176.6	0	0	111.6	R160 K168	R160-E164 HydrophobicContact CG-CG 4.39Å; R160-E164 VanDerWaalsContact CG-OE1 3.3Å; R160-E164 WeakPolarHBondContact CG-OE1 3.13Å; R160-E164 IonicContact CZ-OE1 3.69Å; R160-E164 IonicContact NE-OE1 3.89Å; R160-E164 PolarHBondContact NE-OE1 3.03Å; R160-E164 IonicContact NH2-OE1 2.71Å; R160-E164 WeakPolarHBondContact O-CB 3.26Å; R160-E164 WeakPolarHBondContact O-CG 3.43Å; R160-E164 PolarHBondContact O-N 3.14Å; E164-K168 WeakPolarHBondContact O-CB 3.5Å; E164-K168 PolarHBondContact O-N 3.09Å; E164-K168 VanDerWaalsContact O-N 3.08Å
165	C	90.7	Very high	88.7	Confident	19 Å²	19	52.3 Å²	52.3	13%	0.128	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-48.9	175	-177.7	0	0	0	0	111.9	F40 V41 P161 L162 F163 Q167 K168 L169	F40-C165 WeakPolarHBondContact CB-SG 3.4Å; V41-C165 HydrophobicContact CG2-CB 3.59Å; P161-C165 WeakPolarHBondContact O-CB 3.45Å; P161-C165 PolarHBondContact O-N 3.24Å; L162-C165 PolarHBondContact O-N 2.96Å; F163-C165 PolarHBondContact O-N 2.8Å; C165-Q167 PolarHBondContact O-N 3.37Å; C165-K168 PolarHBondContact O-N 2.82Å; C165-L169 WeakPolarHBondContact O-CB 3.36Å; C165-L169 WeakPolarHBondContact O-CG 3.42Å; C165-L169 PolarHBondContact O-N 3.13Å; C165-L169 VanDerWaalsContact SG-CD1 3.52Å
166	L	92	Very high	88.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-45.3	177.9	-75.8	167.5	0	0	0	111.9	V61 L66 L96 L102 F119 I121 L162 F163 K168 L169 A170	V61-L166 HydrophobicContact CB-CD2 4.41Å; V61-L166 HydrophobicContact CG1-CD2 3.66Å; V61-L166 HydrophobicContact CG1-CG 4.17Å; V61-L166 HydrophobicContact CG2-CD1 4.48Å; V61-L166 HydrophobicContact CG2-CD2 3.82Å; V61-L166 HydrophobicContact CG2-CG 3.95Å; L66-L166 HydrophobicContact CB-CD2 4.18Å; L66-L166 HydrophobicContact CD1-CD1 3.81Å; L66-L166 HydrophobicContact CD1-CD2 3.76Å; L66-L166 HydrophobicContact CD1-CG 4.41Å; L96-L166 HydrophobicContact CD2-CD2 3.67Å; L102-L166 HydrophobicContact CD1-CB 3.7Å; F119-L166 HydrophobicContact CE2-CD1 3.95Å; F119-L166 HydrophobicContact CZ-CD1 4.25Å; I121-L166 HydrophobicContact CD1-CD1 4.36Å; L162-L166 WeakPolarHBondContact O-CB 3.35Å; L162-L166 VanDerWaalsContact O-CG 3.28Å; L162-L166 WeakPolarHBondContact O-CG 3.33Å; L162-L166 PolarHBondContact O-N 3.2Å; F163-L166 PolarHBondContact O-N 3.39Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 2.99Å; L166-L169 PolarHBondContact O-N 2.93Å; L166-A170 WeakPolarHBondContact O-CB 3.19Å; L166-A170 PolarHBondContact O-N 3.07Å
167	Q	91.7	Very high	88.3	Confident	54 Å²	54	52.2 Å²	52.2	25%	0.252	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-43	-179.4	-157.6	-174.6	-12.7	0	0	111.2	L102 F163 C165 F171 H175 D496	L102-Q167 HydrophobicContact CD1-CB 4.24Å; F163-Q167 VanDerWaalsContact CE1-OE1 3.31Å; F163-Q167 WeakPolarHBondContact O-CB 3.38Å; F163-Q167 PolarHBondContact O-N 2.88Å; C165-Q167 PolarHBondContact O-N 3.37Å; Q167-F171 HydrophobicContact CG-CD2 4.06Å; Q167-F171 HydrophobicContact CG-CE2 4.43Å; Q167-F171 WeakPolarHBondContact O-CB 3.39Å; Q167-F171 WeakPolarHBondContact O-CD2 3.38Å; Q167-F171 PolarHBondContact O-N 3.07Å; Q167-H175 PolarHBondContact O-CE1 2.83Å; Q167-H175 VanDerWaalsContact O-CE1 3.26Å; Q167-H175 PolarHBondContact O-ND1 3.45Å; Q167-D496 PolarHBondContact NE2-OD2 3.37Å
168	K	90.1	Very high	87.3	Confident	110 Å²	110	47.3 Å²	47.3	48%	0.478	23%	0.227	S	C	.	.	H	α-helix	trans	-63.9	-48.8	176.7	-177.9	175.2	-179	-174.8	0	112.4	E164 C165 L166 L177	E164-K168 WeakPolarHBondContact O-CB 3.5Å; E164-K168 PolarHBondContact O-N 3.09Å; E164-K168 VanDerWaalsContact O-N 3.08Å; C165-K168 PolarHBondContact O-N 2.82Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 2.99Å; K168-L177 HydrophobicContact CD-CD2 4.28Å; K168-L177 VanDerWaalsContact CE-CD2 3.4Å; K168-L177 HydrophobicContact CG-CD1 3.75Å; K168-L177 HydrophobicContact CG-CD2 3.95Å; K168-L177 HydrophobicContact CG-CG 4.32Å; K168-L177 WeakPolarHBondContact O-CD1 3.35Å
169	L	90.7	Very high	85.6	Confident	30 Å²	30	51.5 Å²	51.5	16%	0.157	25%	0.252	C	S	.	.	H	α-helix	trans	-81.2	-30.9	-172.7	-64.4	177.4	0	0	0	113.8	F40 V61 T62 L96 C165 L166 P172	F40-L169 HydrophobicContact CB-CD1 4.19Å; F40-L169 HydrophobicContact CD1-CD1 4.39Å; F40-L169 HydrophobicContact CD2-CD1 3.6Å; F40-L169 HydrophobicContact CE1-CD2 4.49Å; F40-L169 HydrophobicContact CE2-CD1 4.09Å; F40-L169 HydrophobicContact CE2-CD2 4.38Å; F40-L169 HydrophobicContact CG-CD1 3.79Å; F40-L169 HydrophobicContact CZ-CD2 4.29Å; V61-L169 HydrophobicContact CG1-CD1 4.06Å; T62-L169 WeakPolarHBondContact O-CD1 3.34Å; L96-L169 HydrophobicContact CD1-CB 3.46Å; L96-L169 VanDerWaalsContact CD1-CB 3.46Å; L96-L169 HydrophobicContact CD1-CD1 4.43Å; C165-L169 WeakPolarHBondContact O-CB 3.36Å; C165-L169 WeakPolarHBondContact O-CG 3.42Å; C165-L169 PolarHBondContact O-N 3.13Å; C165-L169 VanDerWaalsContact SG-CD1 3.52Å; L166-L169 PolarHBondContact O-N 2.93Å; L169-P172 WeakPolarHBondContact O-CD 3.23Å
170	A	91	Very high	83.7	Confident	3 Å²	3	58 Å²	58	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-77.9	-29.5	176.3	0	0	0	0	0	112.9	L96 I99 L166 P172	L96-A170 HydrophobicContact CB-CB 4.2Å; I99-A170 HydrophobicContact CB-CB 4.11Å; I99-A170 HydrophobicContact CD1-CB 4.03Å; I99-A170 HydrophobicContact CG2-CB 4.38Å; L166-A170 WeakPolarHBondContact O-CB 3.19Å; L166-A170 PolarHBondContact O-N 3.07Å; A170-P172 VanDerWaalsContact O-CD 3.29Å; A170-P172 WeakPolarHBondContact O-CD 3.37Å
171	F	93.2	Very high	81.4	Confident	1 Å²	1	52.8 Å²	52.8	0%	0.004	27%	0.27	C	S	.	.			trans	-122.2	58.5	-178.8	-46.1	-62.5	0	0	0	112.7	I99 L102 Q167 L173 S174 H175 G494 D496	I99-F171 HydrophobicContact CG2-CE1 4.35Å; I99-F171 HydrophobicContact CG2-CZ 3.78Å; L102-F171 HydrophobicContact CD1-CE2 3.87Å; L102-F171 HydrophobicContact CG-CE2 4.16Å; Q167-F171 HydrophobicContact CG-CD2 4.06Å; Q167-F171 HydrophobicContact CG-CE2 4.43Å; Q167-F171 WeakPolarHBondContact O-CB 3.39Å; Q167-F171 WeakPolarHBondContact O-CD2 3.38Å; Q167-F171 PolarHBondContact O-N 3.07Å; F171-L173 VanDerWaalsContact C-N 3.25Å; F171-L173 PolarHBondContact O-N 3.13Å; F171-S174 PolarHBondContact O-N 3.31Å; F171-H175 PolarHBondContact O-N 3.07Å; F171-H175 VanDerWaalsContact O-N 3.09Å; F171-H175 PolarHBondContact O-ND1 2.91Å; F171-G494 CarbonylContact C-O 3.54Å; F171-G494 VanDerWaalsContact CA-O 3.25Å; F171-G494 WeakPolarHBondContact CA-O 3.49Å; F171-D496 HydrophobicContact CB-CB 3.78Å; F171-D496 HydrophobicContact CD1-CB 4.05Å; F171-D496 HydrophobicContact CD2-CB 3.75Å; F171-D496 HydrophobicContact CE2-CB 4.31Å; F171-D496 HydrophobicContact CG-CB 3.6Å
172	P	90.7	Very high	79.2	Confident	6 Å²	6	62.4 Å²	62.4	4%	0.039	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.6	-172.8	24.4	-36.7	0	0	0	114	L169 A170 K176 L177 P188 F189	L169-P172 WeakPolarHBondContact O-CD 3.23Å; A170-P172 VanDerWaalsContact O-CD 3.29Å; A170-P172 WeakPolarHBondContact O-CD 3.37Å; P172-K176 PolarHBondContact O-N 3.38Å; P172-L177 HydrophobicContact CB-CB 4.17Å; P172-L177 HydrophobicContact CB-CD1 3.89Å; P172-L177 HydrophobicContact CB-CG 4.31Å; P172-L177 WeakPolarHBondContact O-CB 3.44Å; P172-L177 PolarHBondContact O-N 2.79Å; P172-P188 HydrophobicContact CB-CB 3.58Å; P172-P188 HydrophobicContact CB-CG 3.62Å; P172-P188 HydrophobicContact CG-CB 4.42Å; P172-P188 HydrophobicContact CG-CG 4.23Å; P172-F189 HydrophobicContact CG-CD1 4.24Å; P172-F189 HydrophobicContact CG-CE1 4.14Å
173	L	89.9	Confident	77.2	Confident	60 Å²	60	67.8 Å²	67.8	31%	0.314	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-42.5	178.9	-57.7	-172.6	0	0	0	111.3	F171 H175 K176 V178 P188 F189 H493 G494 E495	F171-L173 VanDerWaalsContact C-N 3.25Å; F171-L173 PolarHBondContact O-N 3.13Å; L173-H175 PolarHBondContact O-N 3.49Å; L173-K176 PolarHBondContact O-N 2.77Å; L173-K176 VanDerWaalsContact O-N 3.17Å; L173-V178 HydrophobicContact CD2-CG2 3.76Å; L173-P188 HydrophobicContact CD2-CG 4.11Å; L173-F189 HydrophobicContact CD1-CE2 4.36Å; L173-F189 HydrophobicContact CD1-CZ 3.81Å; L173-F189 HydrophobicContact CD2-CE2 4.35Å; L173-F189 HydrophobicContact CD2-CZ 4.2Å; L173-F189 HydrophobicContact CG-CZ 3.94Å; L173-H493 WeakPolarHBondContact CD1-O 3.32Å; L173-G494 WeakPolarHBondContact CB-O 2.92Å; L173-G494 PolarHBondContact N-O 3.05Å; L173-E495 HydrophobicContact CB-CG 4.36Å; L173-E495 HydrophobicContact CD1-CG 4.37Å
174	S	89.2	Confident	75.3	Confident	47 Å²	47	75.4 Å²	75.4	33%	0.329	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-32.2	174.8	-72.5	0	0	0	0	112.6	F171 K176 G494 D496	F171-S174 PolarHBondContact O-N 3.31Å; S174-K176 VanDerWaalsContact C-N 3.28Å; S174-K176 PolarHBondContact O-N 2.99Å; S174-G494 PolarHBondContact N-O 3.07Å; S174-D496 PolarHBondContact OG-N 3.44Å
175	H	84.7	Confident	73.8	Confident	67 Å²	67	75.9 Å²	75.9	31%	0.31	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	13.5	178.6	-66.4	77.8	0	0	0	113.3	Q167 F171 L173 L177	Q167-H175 PolarHBondContact O-CE1 2.83Å; Q167-H175 VanDerWaalsContact O-CE1 3.26Å; Q167-H175 PolarHBondContact O-ND1 3.45Å; F171-H175 PolarHBondContact O-N 3.07Å; F171-H175 VanDerWaalsContact O-N 3.09Å; F171-H175 PolarHBondContact O-ND1 2.91Å; L173-H175 PolarHBondContact O-N 3.49Å; H175-L177 HydrophobicContact CB-CD2 4.43Å; H175-L177 HydrophobicContact CB-CG 4.22Å; H175-L177 PolarHBondContact O-N 3.25Å
176	K	79.8	Confident	72.7	Confident	178 Å²	178	79 Å²	79	77%	0.774	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	35.9	176.9	-56.3	-179	-177.8	177.3	0	113.1	P172 L173 S174 V178	P172-K176 PolarHBondContact O-N 3.38Å; L173-K176 PolarHBondContact O-N 2.77Å; L173-K176 VanDerWaalsContact O-N 3.17Å; S174-K176 VanDerWaalsContact C-N 3.28Å; S174-K176 PolarHBondContact O-N 2.99Å; K176-V178 PolarHBondContact O-N 2.81Å; K176-V178 VanDerWaalsContact O-N 3.12Å
177	L	70.5	Confident	72.1	Confident	45 Å²	45	79.6 Å²	79.6	24%	0.236	39%	0.387	C	S	.	.			trans	-71	-2.7	175.5	-58.8	-171.4	0	0	0	112.9	K168 P172 H175 V179 P188	K168-L177 HydrophobicContact CD-CD2 4.28Å; K168-L177 VanDerWaalsContact CE-CD2 3.4Å; K168-L177 HydrophobicContact CG-CD1 3.75Å; K168-L177 HydrophobicContact CG-CD2 3.95Å; K168-L177 HydrophobicContact CG-CG 4.32Å; K168-L177 WeakPolarHBondContact O-CD1 3.35Å; P172-L177 HydrophobicContact CB-CB 4.17Å; P172-L177 HydrophobicContact CB-CD1 3.89Å; P172-L177 HydrophobicContact CB-CG 4.31Å; P172-L177 WeakPolarHBondContact O-CB 3.44Å; P172-L177 PolarHBondContact O-N 2.79Å; H175-L177 HydrophobicContact CB-CD2 4.43Å; H175-L177 HydrophobicContact CB-CG 4.22Å; H175-L177 PolarHBondContact O-N 3.25Å; L177-V179 VanDerWaalsContact C-N 3.34Å; L177-V179 PolarHBondContact O-N 3.34Å; L177-P188 HydrophobicContact CB-CB 3.75Å; L177-P188 HydrophobicContact CB-CG 4.33Å
178	V	61	Low	71.7	Confident	35 Å²	35	77.8 Å²	77.8	21%	0.212	38%	0.381	C	S	.	.			trans	-67.9	96.8	166.1	-174.8	0	0	0	0	107.7	L173 K176 F180 Q185 P188	L173-V178 HydrophobicContact CD2-CG2 3.76Å; K176-V178 PolarHBondContact O-N 2.81Å; K176-V178 VanDerWaalsContact O-N 3.12Å; V178-F180 HydrophobicContact CG1-CD2 4.32Å; V178-F180 HydrophobicContact CG1-CE2 3.95Å; V178-F180 HydrophobicContact CG1-CZ 4.31Å; V178-F180 PolarHBondContact O-N 2.95Å; V178-Q185 HydrophobicContact CG1-CG 4.24Å; V178-P188 HydrophobicContact CG2-CG 4Å
179	V	51.5	Low	71.7	Confident	88 Å²	88	73.3 Å²	73.3	53%	0.533	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	110.3	174.4	-174.5	0	0	0	0	107.8	L177 S181 V186	L177-V179 VanDerWaalsContact C-N 3.34Å; L177-V179 PolarHBondContact O-N 3.34Å; V179-S181 PolarHBondContact O-N 2.93Å; V179-V186 PolarHBondContact O-N 3.28Å
180	F	49.2	Very low	71.8	Confident	162 Å²	162	72.2 Å²	72.2	71%	0.711	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	97.1	162.5	-71.9	-86.9	0	0	0	107.3	V178	V178-F180 HydrophobicContact CG1-CD2 4.32Å; V178-F180 HydrophobicContact CG1-CE2 3.95Å; V178-F180 HydrophobicContact CG1-CZ 4.31Å; V178-F180 PolarHBondContact O-N 2.95Å
181	S	40.3	Very low	71.9	Confident	53 Å²	53	72.1 Å²	72.1	37%	0.371	35%	0.354	S	S	.	.			trans	-86	151.5	160	77	0	0	0	0	108.5	V179 T183 Y184	V179-S181 PolarHBondContact O-N 2.93Å; S181-T183 PolarHBondContact O-N 2.73Å; S181-Y184 PolarHBondContact N-O 3.17Å; S181-Y184 PolarHBondContact O-N 2.99Å; S181-Y184 PolarHBondContact OG-N 2.92Å; S181-Y184 PolarHBondContact OG-O 3.49Å
182	Y	43.4	Very low	71.8	Confident	253 Å²	253	73.9 Å²	73.9	99%	0.992	36%	0.362	S	S	*	.	S	Bend	trans	-53.8	-14.8	-179.5	-74.1	-84.3	0	0	0	114.3
183	T	49.6	Very low	71.7	Confident	113 Å²	113	77 Å²	77	69%	0.693	38%	0.376	S	S	*	.	S	Bend	trans	-125.8	-18.2	-176.7	36.4	0	0	0	0	114.9	S181	S181-T183 PolarHBondContact O-N 2.73Å
184	Y	52.1	Low	71.6	Confident	170 Å²	170	74.7 Å²	74.7	67%	0.667	37%	0.365	S	S	*	.			trans	-148.2	132.5	-177.3	-62.9	-82.9	0	0	0	113	S181	S181-Y184 PolarHBondContact N-O 3.17Å; S181-Y184 PolarHBondContact O-N 2.99Å; S181-Y184 PolarHBondContact OG-N 2.92Å; S181-Y184 PolarHBondContact OG-O 3.49Å
185	Q	58.3	Low	71.4	Confident	100 Å²	100	79.4 Å²	79.4	47%	0.467	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	110.9	165.6	-174.5	180	-0.9	0	0	108.7	V178	V178-Q185 HydrophobicContact CG1-CG 4.24Å
186	V	67.2	Low	71.5	Confident	83 Å²	83	76.7 Å²	76.7	50%	0.503	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	113.7	171.8	-177.1	0	0	0	0	108.1	V179	V179-V186 PolarHBondContact O-N 3.28Å
187	N	79.9	Confident	72	Confident	13 Å²	13	77.8 Å²	77.8	7%	0.07	37%	0.372	C	S	.	.			trans	-80.3	128.2	175.8	-168.6	-59.9	0	0	0	109.6	F189 F192 F549	N187-F189 VanDerWaalsContact C-N 3.32Å; N187-F189 PolarHBondContact O-N 3.13Å; N187-F189 WeakPolarHBondContact OD1-CD2 3.47Å; N187-F189 PolarHBondContact OD1-N 2.94Å; N187-F189 VanDerWaalsContact OD1-N 3.12Å; N187-F192 HydrophobicContact CB-CB 4.17Å; N187-F192 HydrophobicContact CB-CD1 3.91Å; N187-F192 HydrophobicContact CB-CD2 3.58Å; N187-F192 HydrophobicContact CB-CE1 4.15Å; N187-F192 HydrophobicContact CB-CE2 3.85Å; N187-F192 HydrophobicContact CB-CG 3.62Å; N187-F192 HydrophobicContact CB-CZ 4.12Å; N187-F192 VanDerWaalsContact CG-CD2 3.5Å; N187-F192 VanDerWaalsContact CG-CE2 3.48Å; N187-F549 WeakPolarHBondContact ND2-CZ 2.72Å
188	P	83.5	Confident	73	Confident	17 Å²	17	77.3 Å²	77.3	11%	0.11	37%	0.368	C	S	.	.			trans	-81.4	-6.8	-170	33.9	-38.9	0	0	0	114.3	P172 L173 L177 V178 Q193	P172-P188 HydrophobicContact CB-CB 3.58Å; P172-P188 HydrophobicContact CB-CG 3.62Å; P172-P188 HydrophobicContact CG-CB 4.42Å; P172-P188 HydrophobicContact CG-CG 4.23Å; L173-P188 HydrophobicContact CD2-CG 4.11Å; L177-P188 HydrophobicContact CB-CB 3.75Å; L177-P188 HydrophobicContact CB-CG 4.33Å; V178-P188 HydrophobicContact CG2-CG 4Å; P188-Q193 PolarHBondContact O-NE2 3.03Å
189	F	91	Very high	74.3	Confident	15 Å²	15	83.3 Å²	83.3	7%	0.066	40%	0.399	C	S	.	.	S	Bend	trans	-67.2	144	177.5	-66.5	-58.9	0	0	0	111.9	P172 L173 N187 A191 F192 H493 C542 L548	P172-F189 HydrophobicContact CG-CD1 4.24Å; P172-F189 HydrophobicContact CG-CE1 4.14Å; L173-F189 HydrophobicContact CD1-CE2 4.36Å; L173-F189 HydrophobicContact CD1-CZ 3.81Å; L173-F189 HydrophobicContact CD2-CE2 4.35Å; L173-F189 HydrophobicContact CD2-CZ 4.2Å; L173-F189 HydrophobicContact CG-CZ 3.94Å; N187-F189 VanDerWaalsContact C-N 3.32Å; N187-F189 PolarHBondContact O-N 3.13Å; N187-F189 WeakPolarHBondContact OD1-CD2 3.47Å; N187-F189 PolarHBondContact OD1-N 2.94Å; N187-F189 VanDerWaalsContact OD1-N 3.12Å; F189-A191 PolarHBondContact O-N 2.86Å; F189-A191 VanDerWaalsContact O-N 3.13Å; F189-F192 HydrophobicContact CB-CD2 4.32Å; F189-F192 PolarHBondContact O-N 2.95Å; F189-H493 HydrophobicContact CE1-CB 3.99Å; F189-H493 HydrophobicContact CZ-CB 3.82Å; F189-C542 HydrophobicContact CD1-CB 4.12Å; F189-L548 HydrophobicContact CB-CD1 4.16Å; F189-L548 HydrophobicContact CD2-CD1 3.96Å; F189-L548 HydrophobicContact CD2-CD2 4.34Å; F189-L548 HydrophobicContact CG-CD1 4.22Å
190	F	91.2	Very high	76.2	Confident	8 Å²	8	81.5 Å²	81.5	4%	0.035	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-55.4	-32.8	177.8	-178.8	-105.9	0	0	0	113	V32 I37 Y64 F192 Q193 S194 R543	V32-F190 HydrophobicContact CG1-CE1 3.84Å; V32-F190 HydrophobicContact CG1-CZ 3.55Å; I37-F190 HydrophobicContact CG1-CE2 4.47Å; I37-F190 HydrophobicContact CG1-CZ 4.39Å; Y64-F190 HydrophobicContact CD1-CE1 4.42Å; Y64-F190 HydrophobicContact CD2-CB 3.79Å; Y64-F190 AromaticContact CD2-CD1 3.38Å; Y64-F190 HydrophobicContact CD2-CD1 3.38Å; Y64-F190 HydrophobicContact CD2-CD2 4.39Å; Y64-F190 HydrophobicContact CD2-CE1 4.03Å; Y64-F190 AromaticContact CD2-CG 3.59Å; Y64-F190 HydrophobicContact CD2-CG 3.59Å; Y64-F190 HydrophobicContact CE2-CD1 4.01Å; Y64-F190 HydrophobicContact CG-CB 4.41Å; Y64-F190 AromaticContact CG-CD1 3.71Å; Y64-F190 HydrophobicContact CG-CD1 3.71Å; Y64-F190 HydrophobicContact CG-CD2 4.21Å; Y64-F190 AromaticContact CG-CE1 3.95Å; Y64-F190 HydrophobicContact CG-CE1 3.95Å; Y64-F190 HydrophobicContact CG-CE2 4.41Å; Y64-F190 AromaticContact CG-CG 3.84Å; Y64-F190 HydrophobicContact CG-CG 3.84Å; Y64-F190 HydrophobicContact CG-CZ 4.29Å; F190-F192 PolarHBondContact O-N 3.14Å; F190-F192 VanDerWaalsContact O-N 3.09Å; F190-Q193 HydrophobicContact CD2-CB 4.49Å; F190-Q193 CarbonylContact O-C 3.5Å; F190-Q193 WeakPolarHBondContact O-CA 3.44Å; F190-Q193 PolarHBondContact O-N 3.06Å; F190-S194 PolarHBondContact O-N 3.43Å; F190-R543 HydrophobicContact CD1-CG 4.26Å; F190-R543 HydrophobicContact CE1-CG 4.22Å
191	A	93.1	Very high	78.4	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-51.4	-32.5	175.1	0	0	0	0	0	114.6	F189 C542 R543 L548 T564	F189-A191 PolarHBondContact O-N 2.86Å; F189-A191 VanDerWaalsContact O-N 3.13Å; A191-C542 PolarHBondContact N-O 2.72Å; A191-C542 VanDerWaalsContact N-O 3.13Å; A191-R543 WeakPolarHBondContact CA-O 3.32Å; A191-L548 HydrophobicContact CB-CD1 3.88Å; A191-T564 HydrophobicContact CB-CG2 4.07Å; A191-T564 WeakPolarHBondContact O-CA 3.38Å; A191-T564 VanDerWaalsContact O-CB 3.29Å; A191-T564 WeakPolarHBondContact O-CB 3.34Å; A191-T564 WeakPolarHBondContact O-CG2 3.44Å
192	F	92	Very high	81.1	Confident	39 Å²	39	75.3 Å²	75.3	17%	0.171	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-88.9	-6.8	178.2	-72.6	-94.8	0	0	0	113.6	N187 F189 F190 L548 F549 V558 V560 K563 T564	N187-F192 HydrophobicContact CB-CB 4.17Å; N187-F192 HydrophobicContact CB-CD1 3.91Å; N187-F192 HydrophobicContact CB-CD2 3.58Å; N187-F192 HydrophobicContact CB-CE1 4.15Å; N187-F192 HydrophobicContact CB-CE2 3.85Å; N187-F192 HydrophobicContact CB-CG 3.62Å; N187-F192 HydrophobicContact CB-CZ 4.12Å; N187-F192 VanDerWaalsContact CG-CD2 3.5Å; N187-F192 VanDerWaalsContact CG-CE2 3.48Å; F189-F192 HydrophobicContact CB-CD2 4.32Å; F189-F192 PolarHBondContact O-N 2.95Å; F190-F192 PolarHBondContact O-N 3.14Å; F190-F192 VanDerWaalsContact O-N 3.09Å; F192-L548 HydrophobicContact CE2-CD1 4.04Å; F192-F549 AromaticContact CE2-CE2 3.98Å; F192-F549 HydrophobicContact CE2-CE2 3.98Å; F192-F549 AromaticContact CE2-CZ 3.86Å; F192-F549 HydrophobicContact CE2-CZ 3.86Å; F192-F549 AromaticContact CZ-CE2 3.88Å; F192-F549 HydrophobicContact CZ-CE2 3.88Å; F192-F549 AromaticContact CZ-CZ 3.79Å; F192-F549 HydrophobicContact CZ-CZ 3.79Å; F192-V558 HydrophobicContact CZ-CG2 4.1Å; F192-V560 HydrophobicContact CE2-CG2 4.41Å; F192-V560 HydrophobicContact CZ-CB 4.28Å; F192-V560 HydrophobicContact CZ-CG2 3.9Å; F192-K563 HydrophobicContact CD1-CB 3.77Å; F192-K563 HydrophobicContact CD1-CD 4.39Å; F192-K563 HydrophobicContact CE1-CB 3.88Å; F192-K563 HydrophobicContact CE1-CD 4.32Å; F192-T564 HydrophobicContact CB-CG2 4.41Å; F192-T564 HydrophobicContact CD1-CG2 3.62Å; F192-T564 HydrophobicContact CD2-CG2 3.67Å; F192-T564 HydrophobicContact CE1-CG2 3.67Å; F192-T564 HydrophobicContact CE2-CG2 3.72Å; F192-T564 HydrophobicContact CG-CG2 3.62Å; F192-T564 HydrophobicContact CZ-CG2 3.72Å
193	Q	88.9	Confident	83.7	Confident	70 Å²	70	64.1 Å²	64.1	33%	0.327	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-24.6	179	-58.9	175	15	0	0	111.6	N63 P188 F190 K195	N63-Q193 PolarHBondContact ND2-OE1 2.88Å; P188-Q193 PolarHBondContact O-NE2 3.03Å; F190-Q193 HydrophobicContact CD2-CB 4.49Å; F190-Q193 CarbonylContact O-C 3.5Å; F190-Q193 WeakPolarHBondContact O-CA 3.44Å; F190-Q193 PolarHBondContact O-N 3.06Å; Q193-K195 PolarHBondContact O-N 3.45Å
194	S	87.3	Confident	85.9	Confident	13 Å²	13	65.1 Å²	65.1	9%	0.091	32%	0.317	C	S	.	.			trans	-63.9	126.3	179.6	-179.7	0	0	0	0	111.4	F190 E196	F190-S194 PolarHBondContact O-N 3.43Å; S194-E196 WeakPolarHBondContact OG-CB 3.39Å; S194-E196 VanDerWaalsContact OG-CD 3.23Å; S194-E196 WeakPolarHBondContact OG-CG 3.3Å; S194-E196 PolarHBondContact OG-N 3.11Å; S194-E196 PolarHBondContact OG-OE1 3.41Å
195	K	85.5	Confident	88.1	Confident	146 Å²	146	58 Å²	58	64%	0.635	29%	0.291	S	S	*	.			trans	-103.2	13.9	172.6	-59.5	-176.8	179.2	177.9	0	112.4	S36 Q193 K197	S36-K195 WeakPolarHBondContact OG-CB 3.46Å; S36-K195 PolarHBondContact OG-N 3.36Å; Q193-K195 PolarHBondContact O-N 3.45Å; K195-K197 PolarHBondContact O-N 3.22Å
196	E	87	Confident	90	Very high	9 Å²	9	54.5 Å²	54.5	4%	0.042	27%	0.274	C	S	.	.			trans	-52.1	137.1	177.7	-71.2	167	-120.2	0	0	110.6	H31 D33 S194 F198 R543 N565	H31-E196 WeakPolarHBondContact O-CG 3.42Å; D33-E196 HydrophobicContact CB-CB 4.4Å; D33-E196 HydrophobicContact CB-CG 3.52Å; S194-E196 WeakPolarHBondContact OG-CB 3.39Å; S194-E196 VanDerWaalsContact OG-CD 3.23Å; S194-E196 WeakPolarHBondContact OG-CG 3.3Å; S194-E196 PolarHBondContact OG-N 3.11Å; S194-E196 PolarHBondContact OG-OE1 3.41Å; E196-F198 HydrophobicContact CB-CE2 3.88Å; E196-F198 HydrophobicContact CB-CZ 3.96Å; E196-F198 WeakPolarHBondContact OE2-CZ 3.44Å; E196-R543 IonicContact OE1-NE 2.75Å; E196-R543 PolarHBondContact OE1-NE 3.23Å; E196-R543 IonicContact OE2-CZ 2.75Å; E196-R543 VanDerWaalsContact OE2-CZ 3.28Å; E196-R543 IonicContact OE2-NE 3.38Å; E196-R543 PolarHBondContact OE2-NE 3.46Å; E196-R543 VanDerWaalsContact OE2-NE 3.11Å; E196-R543 IonicContact OE2-NH2 3.6Å; E196-R543 PolarHBondContact OE2-NH2 3.01Å; E196-N565 PolarHBondContact O-ND2 3.28Å
197	K	89	Confident	91.4	Very high	201 Å²	201	53.2 Å²	53.2	87%	0.874	26%	0.264	S	S	*	.			trans	-112.8	134.9	176	-65.5	-173	179.4	-178.9	0	109.9	K195	K195-K197 PolarHBondContact O-N 3.22Å
198	F	91.3	Very high	92.1	Very high	35 Å²	35	53.8 Å²	53.8	15%	0.154	27%	0.268	C	S	.	.			trans	-120	154.7	177.8	-60.6	-74	0	0	0	110.4	E196 S200 F544 N565 F570	E196-F198 HydrophobicContact CB-CE2 3.88Å; E196-F198 HydrophobicContact CB-CZ 3.96Å; E196-F198 WeakPolarHBondContact OE2-CZ 3.44Å; F198-S200 PolarHBondContact O-N 3.17Å; F198-F544 AromaticContact CE2-CE1 3.99Å; F198-F544 HydrophobicContact CE2-CE1 3.99Å; F198-F544 AromaticContact CZ-CE1 3.88Å; F198-F544 HydrophobicContact CZ-CE1 3.88Å; F198-F544 HydrophobicContact CZ-CZ 4.36Å; F198-N565 HydrophobicContact CD2-CB 4.23Å; F198-N565 HydrophobicContact CE2-CB 3.84Å; F198-F570 HydrophobicContact CD1-CB 4.34Å; F198-F570 HydrophobicContact CE1-CB 3.76Å; F198-F570 AromaticContact CE1-CD2 3.85Å; F198-F570 HydrophobicContact CE1-CD2 3.85Å; F198-F570 HydrophobicContact CE1-CG 4.3Å; F198-F570 HydrophobicContact CZ-CB 3.9Å; F198-F570 HydrophobicContact CZ-CD2 4.37Å
199	N	89.8	Confident	92.6	Very high	161 Å²	161	55.5 Å²	55.5	86%	0.861	28%	0.279	S	S	*	.	S	Bend	trans	-68.9	-16.8	-179.4	-65.7	-12.1	0	0	0	113.1
200	S	90.2	Very high	92.7	Very high	50 Å²	50	61.8 Å²	61.8	35%	0.35	31%	0.306	S	S	.	.	S	Bend	trans	-134.3	147.5	177.7	60.9	0	0	0	0	110.1	F198 S569	F198-S200 PolarHBondContact O-N 3.17Å; S200-S569 VanDerWaalsContact O-CB 3.29Å; S200-S569 WeakPolarHBondContact O-CB 3.34Å
201	N	95.5	Very high	92.9	Very high	83 Å²	83	61.7 Å²	61.7	44%	0.444	31%	0.306	S	S	.	.			trans	-90.4	103.9	172.7	-176.5	-3.9	0	0	0	109.5	W203 L204	N201-W203 PolarHBondContact O-N 2.83Å; N201-W203 WeakPolarHBondContact OD1-CB 3.35Å; N201-W203 PolarHBondContact OD1-N 2.82Å; N201-L204 HydrophobicContact CB-CD1 4.06Å; N201-L204 HydrophobicContact CB-CG 4.11Å; N201-L204 WeakPolarHBondContact O-CB 3.34Å; N201-L204 PolarHBondContact O-N 2.87Å
202	G	97.4	Very high	92.7	Very high	2 Å²	2	61.8 Å²	61.8	2%	0.021	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-62.8	-19.2	179.7	0	0	0	0	0	114.5	L204 V205 S569	G202-L204 PolarHBondContact O-N 3.11Å; G202-V205 WeakPolarHBondContact O-CB 3.42Å; G202-V205 VanDerWaalsContact O-CG1 3.24Å; G202-V205 WeakPolarHBondContact O-CG1 3.49Å; G202-V205 PolarHBondContact O-N 2.81Å; G202-S569 WeakPolarHBondContact CA-OG 3.36Å; G202-S569 PolarHBondContact N-OG 3.35Å
203	W	97.5	Very high	92.6	Very high	18 Å²	18	63.2 Å²	63.2	7%	0.068	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-68	-16.6	173.5	-64.2	117.8	0	0	0	113.4	N201 V205 V560 H561 T564	N201-W203 PolarHBondContact O-N 2.83Å; N201-W203 WeakPolarHBondContact OD1-CB 3.35Å; N201-W203 PolarHBondContact OD1-N 2.82Å; W203-V205 VanDerWaalsContact C-N 3.34Å; W203-V560 HydrophobicContact CH2-CG1 4.22Å; W203-V560 HydrophobicContact CH2-CG2 4.42Å; W203-V560 HydrophobicContact CZ2-CG2 4.38Å; W203-H561 HydrophobicContact CB-CB 4.41Å; W203-H561 HydrophobicContact CD2-CB 4.13Å; W203-H561 AromaticContact CD2-CD2 3.75Å; W203-H561 AromaticContact CD2-CG 3.87Å; W203-H561 AromaticContact CE3-CD2 3.3Å; W203-H561 AromaticContact CE3-CE1 3.94Å; W203-H561 AromaticContact CE3-CG 3.77Å; W203-H561 AromaticContact CE3-NE2 3.48Å; W203-H561 HydrophobicContact CG-CB 4.09Å; W203-H561 AromaticContact CH2-CD2 3.99Å; W203-H561 AromaticContact CZ3-CD2 3.44Å; W203-H561 VanDerWaalsContact CZ3-CD2 3.44Å; W203-H561 WeakPolarHBondContact CZ3-CD2 3.18Å; W203-H561 AromaticContact CZ3-NE2 3.55Å; W203-H561 PolarHBondContact NE1-O 3.36Å; W203-T564 WeakPolarHBondContact CZ2-OG1 3.32Å; W203-T564 PolarHBondContact NE1-O 3.37Å
204	L	97.2	Very high	92.7	Very high	135 Å²	135	63.4 Å²	63.4	71%	0.707	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-88.5	0.9	177.3	-56.9	-179.5	0	0	0	113.3	N201 G202 Y206	N201-L204 HydrophobicContact CB-CD1 4.06Å; N201-L204 HydrophobicContact CB-CG 4.11Å; N201-L204 WeakPolarHBondContact O-CB 3.34Å; N201-L204 PolarHBondContact O-N 2.87Å; G202-L204 PolarHBondContact O-N 3.11Å; L204-Y206 VanDerWaalsContact C-N 3.31Å; L204-Y206 PolarHBondContact O-N 3.06Å
205	V	97.1	Very high	92.6	Very high	19 Å²	19	63.3 Å²	63.3	12%	0.115	31%	0.311	C	S	.	.	S	Bend	trans	-65.2	-36.7	-178.2	75	0	0	0	0	112.1	G202 W203 K470 E473 V474 E477 W568	G202-V205 WeakPolarHBondContact O-CB 3.42Å; G202-V205 VanDerWaalsContact O-CG1 3.24Å; G202-V205 WeakPolarHBondContact O-CG1 3.49Å; G202-V205 PolarHBondContact O-N 2.81Å; W203-V205 VanDerWaalsContact C-N 3.34Å; V205-K470 HydrophobicContact CG2-CG 4.15Å; V205-E473 HydrophobicContact CG1-CB 4.33Å; V205-E473 HydrophobicContact CG2-CB 3.79Å; V205-E473 VanDerWaalsContact CG2-OE2 3.29Å; V205-E473 WeakPolarHBondContact CG2-OE2 3.08Å; V205-V474 HydrophobicContact CG2-CG2 4.25Å; V205-V474 WeakPolarHBondContact O-CG2 3.21Å; V205-E477 HydrophobicContact CG1-CG 4.06Å; V205-W568 VanDerWaalsContact CG1-CD1 3.47Å; V205-W568 HydrophobicContact CG1-CG 4.13Å
206	Y	97.8	Very high	92.2	Very high	27 Å²	27	57.4 Å²	57.4	11%	0.106	29%	0.287	C	S	.	.			trans	-113.6	120.4	-176.7	175	-127.2	0	0	0	111	L204 P208 E211 V474 E477 K478	L204-Y206 VanDerWaalsContact C-N 3.31Å; L204-Y206 PolarHBondContact O-N 3.06Å; Y206-P208 HydrophobicContact CD1-CG 4.46Å; Y206-P208 HydrophobicContact CE1-CG 3.76Å; Y206-P208 HydrophobicContact CE2-CB 4.5Å; Y206-P208 HydrophobicContact CE2-CG 4.4Å; Y206-E211 HydrophobicContact CE2-CB 4.03Å; Y206-E211 HydrophobicContact CE2-CG 4.31Å; Y206-V474 HydrophobicContact CD2-CG1 3.88Å; Y206-V474 HydrophobicContact CE2-CG1 4.41Å; Y206-E477 HydrophobicContact CD1-CB 3.73Å; Y206-E477 HydrophobicContact CG-CB 3.77Å; Y206-K478 HydrophobicContact CD2-CB 4.48Å; Y206-K478 HydrophobicContact CE1-CB 4.4Å; Y206-K478 HydrophobicContact CE2-CB 3.85Å; Y206-K478 HydrophobicContact CE2-CD 4.5Å; Y206-K478 HydrophobicContact CE2-CG 4.31Å
207	D	96.9	Very high	91.4	Very high	57 Å²	57	61 Å²	61	31%	0.305	31%	0.306	S	S	.	.			trans	-122.5	111	170.2	175.1	-25	0	0	0	106.8	V209 K210 E211	D207-V209 PolarHBondContact O-N 3.22Å; D207-V209 PolarHBondContact OD1-N 3.45Å; D207-K210 HydrophobicContact CB-CB 3.96Å; D207-K210 HydrophobicContact CB-CD 3.87Å; D207-K210 HydrophobicContact CB-CG 4.04Å; D207-K210 PolarHBondContact O-N 3.49Å; D207-K210 PolarHBondContact OD1-N 2.84Å; D207-K210 VanDerWaalsContact OD1-N 3.15Å; D207-K210 VanDerWaalsContact OD2-CD 3.24Å; D207-K210 WeakPolarHBondContact OD2-CD 3.39Å; D207-K210 WeakPolarHBondContact OD2-CE 3.28Å; D207-K210 WeakPolarHBondContact OD2-CG 3.5Å; D207-K210 IonicContact OD2-NZ 3.95Å; D207-E211 PolarHBondContact O-N 3.29Å
208	P	94.8	Very high	90.1	Very high	24 Å²	24	52.4 Å²	52.4	16%	0.156	27%	0.272	C	S	.	.	H	α-helix	trans	-54.7	-39.8	-176.8	-25.5	31.4	0	0	0	113	Y206 E211 Y212 I244	Y206-P208 HydrophobicContact CD1-CG 4.46Å; Y206-P208 HydrophobicContact CE1-CG 3.76Å; Y206-P208 HydrophobicContact CE2-CB 4.5Å; Y206-P208 HydrophobicContact CE2-CG 4.4Å; P208-E211 PolarHBondContact O-N 2.87Å; P208-Y212 HydrophobicContact CB-CD2 4.43Å; P208-Y212 HydrophobicContact CB-CE2 4.19Å; P208-Y212 WeakPolarHBondContact O-CB 3.39Å; P208-Y212 WeakPolarHBondContact O-CD2 3.36Å; P208-Y212 PolarHBondContact O-N 3.11Å; P208-I244 HydrophobicContact CB-CD1 4.44Å
209	V	93.7	Very high	88.5	Confident	54 Å²	54	58 Å²	58	33%	0.327	30%	0.303	S	S	.	.	H	α-helix	trans	-70.4	-43.6	-177.4	178.1	0	0	0	0	110.3	D207 E211 Y212 N213 I228 I244	D207-V209 PolarHBondContact O-N 3.22Å; D207-V209 PolarHBondContact OD1-N 3.45Å; V209-E211 VanDerWaalsContact C-N 3.31Å; V209-E211 PolarHBondContact O-N 3.29Å; V209-Y212 PolarHBondContact O-N 2.83Å; V209-N213 VanDerWaalsContact O-CB 3.3Å; V209-N213 WeakPolarHBondContact O-CB 3.26Å; V209-N213 PolarHBondContact O-N 3.1Å; V209-N213 PolarHBondContact O-ND2 3.33Å; V209-I228 HydrophobicContact CG1-CD1 4.35Å; V209-I244 HydrophobicContact CG2-CD1 3.87Å
210	K	93.9	Very high	87.2	Confident	146 Å²	146	53.2 Å²	53.2	64%	0.635	29%	0.293	S	S	*	.	H	α-helix	trans	-61.9	-40.2	174.9	-71	177.5	-171.3	161.9	0	112	D207 N213 R214	D207-K210 HydrophobicContact CB-CB 3.96Å; D207-K210 HydrophobicContact CB-CD 3.87Å; D207-K210 HydrophobicContact CB-CG 4.04Å; D207-K210 PolarHBondContact O-N 3.49Å; D207-K210 PolarHBondContact OD1-N 2.84Å; D207-K210 VanDerWaalsContact OD1-N 3.15Å; D207-K210 VanDerWaalsContact OD2-CD 3.24Å; D207-K210 WeakPolarHBondContact OD2-CD 3.39Å; D207-K210 WeakPolarHBondContact OD2-CE 3.28Å; D207-K210 WeakPolarHBondContact OD2-CG 3.5Å; D207-K210 IonicContact OD2-NZ 3.95Å; K210-N213 PolarHBondContact O-N 3.19Å; K210-R214 WeakPolarHBondContact O-CB 3.39Å; K210-R214 PolarHBondContact O-N 2.89Å
211	E	94.7	Very high	86.1	Confident	7 Å²	7	56.8 Å²	56.8	3%	0.033	31%	0.306	C	S	.	.	H	α-helix	trans	-67.7	-44.3	178.2	177.9	48	-147.8	0	0	112	Y206 D207 P208 V209 N213 R214 M215 Y465 Y466 V474 K478	Y206-E211 HydrophobicContact CE2-CB 4.03Å; Y206-E211 HydrophobicContact CE2-CG 4.31Å; D207-E211 PolarHBondContact O-N 3.29Å; P208-E211 PolarHBondContact O-N 2.87Å; V209-E211 VanDerWaalsContact C-N 3.31Å; V209-E211 PolarHBondContact O-N 3.29Å; E211-N213 VanDerWaalsContact C-N 3.34Å; E211-N213 PolarHBondContact O-N 3.06Å; E211-R214 WeakPolarHBondContact O-CB 2.85Å; E211-R214 PolarHBondContact O-N 3.01Å; E211-R214 IonicContact OE1-CZ 2.94Å; E211-R214 IonicContact OE1-NE 2.71Å; E211-R214 PolarHBondContact OE1-NE 3.44Å; E211-R214 IonicContact OE1-NH2 3.76Å; E211-R214 PolarHBondContact OE1-NH2 2.79Å; E211-R214 IonicContact OE2-CZ 3.61Å; E211-R214 IonicContact OE2-NE 2.83Å; E211-R214 PolarHBondContact OE2-NE 3.12Å; E211-R214 IonicContact OE2-NH2 3.67Å; E211-M215 HydrophobicContact CG-CE 4.4Å; E211-M215 WeakPolarHBondContact O-CG 3.44Å; E211-M215 PolarHBondContact O-N 2.87Å; E211-Y465 WeakPolarHBondContact OE2-CE1 3.44Å; E211-Y466 PolarHBondContact OE1-OH 2.74Å; E211-V474 HydrophobicContact CG-CG1 4.2Å; E211-K478 HydrophobicContact CG-CD 3.95Å
212	Y	90.3	Very high	85	Confident	1 Å²	1	56.6 Å²	56.6	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-42.1	173.5	-70.3	-54.3	0	0	0	111.9	P208 V209 R214 M215 V216 I228 I244 C246	P208-Y212 HydrophobicContact CB-CD2 4.43Å; P208-Y212 HydrophobicContact CB-CE2 4.19Å; P208-Y212 WeakPolarHBondContact O-CB 3.39Å; P208-Y212 WeakPolarHBondContact O-CD2 3.36Å; P208-Y212 PolarHBondContact O-N 3.11Å; V209-Y212 PolarHBondContact O-N 2.83Å; Y212-R214 VanDerWaalsContact C-N 3.32Å; Y212-R214 PolarHBondContact O-N 3.43Å; Y212-M215 HydrophobicContact CD1-CE 3.34Å; Y212-M215 HydrophobicContact CE1-CE 3.88Å; Y212-M215 HydrophobicContact CG-CE 4.29Å; Y212-M215 PolarHBondContact O-N 2.78Å; Y212-M215 VanDerWaalsContact O-N 3.14Å; Y212-V216 WeakPolarHBondContact O-CB 3.5Å; Y212-V216 VanDerWaalsContact O-CG2 3.32Å; Y212-V216 WeakPolarHBondContact O-CG2 3.41Å; Y212-V216 PolarHBondContact O-N 2.8Å; Y212-I228 HydrophobicContact CD2-CD1 4.3Å; Y212-I228 HydrophobicContact CD2-CG1 4.38Å; Y212-I228 HydrophobicContact CG-CD1 4.37Å; Y212-I228 HydrophobicContact CG-CG1 4.41Å; Y212-I244 HydrophobicContact CD2-CG2 4.17Å; Y212-I244 HydrophobicContact CE2-CG2 3.85Å; Y212-I244 PolarHBondContact OH-O 2.97Å; Y212-C246 HydrophobicContact CD1-CB 3.68Å; Y212-C246 HydrophobicContact CE1-CB 3.43Å; Y212-C246 VanDerWaalsContact CE1-CB 3.43Å; Y212-C246 HydrophobicContact CG-CB 4.48Å
213	N	88.6	Confident	84.2	Confident	69 Å²	69	57.3 Å²	57.3	37%	0.369	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-39	176.2	-72.7	-16.6	0	0	0	111.9	V209 K210 E211 M215 V216 L217	V209-N213 VanDerWaalsContact O-CB 3.3Å; V209-N213 WeakPolarHBondContact O-CB 3.26Å; V209-N213 PolarHBondContact O-N 3.1Å; V209-N213 PolarHBondContact O-ND2 3.33Å; K210-N213 PolarHBondContact O-N 3.19Å; E211-N213 VanDerWaalsContact C-N 3.34Å; E211-N213 PolarHBondContact O-N 3.06Å; N213-M215 VanDerWaalsContact C-N 3.28Å; N213-M215 PolarHBondContact O-N 2.89Å; N213-V216 PolarHBondContact O-N 2.96Å; N213-L217 HydrophobicContact CB-CD1 4.43Å; N213-L217 WeakPolarHBondContact O-CB 3.34Å; N213-L217 WeakPolarHBondContact O-CG 3.32Å; N213-L217 PolarHBondContact O-N 3.5Å
214	R	90.9	Very high	83.7	Confident	75 Å²	75	61.2 Å²	61.2	28%	0.283	34%	0.339	S	S	.	.	H	α-helix	trans	-58.4	-39.9	174	-172.5	-166.9	69.1	81.3	0.1	111.9	K210 E211 Y212 D463 Y466	K210-R214 WeakPolarHBondContact O-CB 3.39Å; K210-R214 PolarHBondContact O-N 2.89Å; E211-R214 WeakPolarHBondContact O-CB 2.85Å; E211-R214 PolarHBondContact O-N 3.01Å; E211-R214 IonicContact OE1-CZ 2.94Å; E211-R214 IonicContact OE1-NE 2.71Å; E211-R214 PolarHBondContact OE1-NE 3.44Å; E211-R214 IonicContact OE1-NH2 3.76Å; E211-R214 PolarHBondContact OE1-NH2 2.79Å; E211-R214 IonicContact OE2-CZ 3.61Å; E211-R214 IonicContact OE2-NE 2.83Å; E211-R214 PolarHBondContact OE2-NE 3.12Å; E211-R214 IonicContact OE2-NH2 3.67Å; Y212-R214 VanDerWaalsContact C-N 3.32Å; Y212-R214 PolarHBondContact O-N 3.43Å; R214-D463 IonicContact CZ-OD2 3.88Å; R214-D463 IonicContact NH1-OD1 2.71Å; R214-D463 IonicContact NH1-OD2 3.31Å; R214-D463 PolarHBondContact NH1-OD2 2.91Å; R214-D463 IonicContact NH2-OD2 3.46Å; R214-D463 PolarHBondContact NH2-OD2 2.75Å; R214-Y466 VanDerWaalsContact NH2-CZ 3.34Å; R214-Y466 PolarHBondContact NH2-OH 3.44Å
215	M	86.3	Confident	83.4	Confident	10 Å²	10	56.9 Å²	56.9	5%	0.049	32%	0.316	C	S	.	.	H	α-helix	trans	-78	-36.8	179.4	-64.4	-175.4	-64	0	0	113.2	E211 Y212 N213 C272 W273 L274	E211-M215 HydrophobicContact CG-CE 4.4Å; E211-M215 WeakPolarHBondContact O-CG 3.44Å; E211-M215 PolarHBondContact O-N 2.87Å; Y212-M215 HydrophobicContact CD1-CE 3.34Å; Y212-M215 HydrophobicContact CE1-CE 3.88Å; Y212-M215 HydrophobicContact CG-CE 4.29Å; Y212-M215 PolarHBondContact O-N 2.78Å; Y212-M215 VanDerWaalsContact O-N 3.14Å; N213-M215 VanDerWaalsContact C-N 3.28Å; N213-M215 PolarHBondContact O-N 2.89Å; M215-C272 VanDerWaalsContact SD-O 3.37Å; M215-W273 HydrophobicContact SD-CB 4.41Å; M215-L274 HydrophobicContact CB-CB 4.45Å
216	V	76.9	Confident	83.2	Confident	22 Å²	22	56.5 Å²	56.5	13%	0.133	31%	0.313	C	S	.	.	H	α-helix	trans	-77.1	-32.6	-179.1	171.1	0	0	0	0	111.6	Y212 N213 S218 I221 N223 L274	Y212-V216 WeakPolarHBondContact O-CB 3.5Å; Y212-V216 VanDerWaalsContact O-CG2 3.32Å; Y212-V216 WeakPolarHBondContact O-CG2 3.41Å; Y212-V216 PolarHBondContact O-N 2.8Å; N213-V216 PolarHBondContact O-N 2.96Å; V216-S218 PolarHBondContact O-N 3.27Å; V216-I221 VanDerWaalsContact O-O 3.07Å; V216-N223 HydrophobicContact CG1-CB 4.09Å; V216-N223 PolarHBondContact O-N 2.85Å; V216-L274 HydrophobicContact CG2-CD1 4.04Å
217	L	68.8	Low	83	Confident	84 Å²	84	58.1 Å²	58.1	44%	0.44	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	64.7	176.8	-60.5	172.2	0	0	0	110.6	N213 N219 P222	N213-L217 HydrophobicContact CB-CD1 4.43Å; N213-L217 WeakPolarHBondContact O-CB 3.34Å; N213-L217 WeakPolarHBondContact O-CG 3.32Å; N213-L217 PolarHBondContact O-N 3.5Å; L217-N219 PolarHBondContact O-N 2.64Å; L217-P222 HydrophobicContact CD2-CB 4.13Å; L217-P222 HydrophobicContact CD2-CG 3.92Å
218	S	61.7	Low	82.8	Confident	21 Å²	21	58 Å²	58	15%	0.147	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	121.9	171.9	-179.8	0	0	0	0	110.3	V216 G220 I221 P276	V216-S218 PolarHBondContact O-N 3.27Å; S218-G220 PolarHBondContact O-N 3.13Å; S218-I221 PolarHBondContact O-N 3.41Å; S218-I221 VanDerWaalsContact O-N 3.1Å; S218-P276 WeakPolarHBondContact CB-O 3.36Å; S218-P276 WeakPolarHBondContact OG-CA 3.49Å; S218-P276 WeakPolarHBondContact OG-CB 3.2Å; S218-P276 PolarHBondContact OG-O 3.45Å
219	N	59.1	Low	82.8	Confident	152 Å²	152	56.9 Å²	56.9	81%	0.813	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	31.8	-176.8	-59.3	-32.4	0	0	0	113.9	L217 I221	L217-N219 PolarHBondContact O-N 2.64Å; N219-I221 VanDerWaalsContact C-N 3.26Å; N219-I221 PolarHBondContact O-N 3.38Å
220	G	62.9	Low	83	Confident	62 Å²	62	58.2 Å²	58.2	64%	0.639	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	3	-179.8	0	0	0	0	0	115.1	S218 P222	S218-G220 PolarHBondContact O-N 3.13Å; G220-P222 WeakPolarHBondContact O-CD 3.47Å
221	I	66.2	Low	83.1	Confident	125 Å²	125	53.4 Å²	53.4	64%	0.641	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.9	177.9	-57.1	174	0	0	0	109	V216 S218 N219 N223	V216-I221 VanDerWaalsContact O-O 3.07Å; S218-I221 PolarHBondContact O-N 3.41Å; S218-I221 VanDerWaalsContact O-N 3.1Å; N219-I221 VanDerWaalsContact C-N 3.26Å; N219-I221 PolarHBondContact O-N 3.38Å; I221-N223 PolarHBondContact O-N 3.24Å
222	P	73.2	Confident	83.2	Confident	78 Å²	78	53 Å²	53	51%	0.506	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	127.9	176.7	-17.8	30.4	0	0	0	112	L217 G220 T224	L217-P222 HydrophobicContact CD2-CB 4.13Å; L217-P222 HydrophobicContact CD2-CG 3.92Å; G220-P222 WeakPolarHBondContact O-CD 3.47Å; P222-T224 PolarHBondContact O-N 2.9Å
223	N	79.7	Confident	83.6	Confident	18 Å²	18	61.4 Å²	61.4	10%	0.096	33%	0.326	C	S	.	.			trans	-75	106.7	165.9	-169	-32	0	0	0	110.2	V216 I221 N225 G278	V216-N223 HydrophobicContact CG1-CB 4.09Å; V216-N223 PolarHBondContact O-N 2.85Å; I221-N223 PolarHBondContact O-N 3.24Å; N223-N225 VanDerWaalsContact C-N 3.32Å; N223-N225 PolarHBondContact O-N 3.42Å; N223-N225 WeakPolarHBondContact OD1-CB 3.35Å; N223-N225 PolarHBondContact OD1-N 3.43Å; N223-G278 PolarHBondContact ND2-O 3.48Å
224	T	86.3	Confident	83.9	Confident	100 Å²	100	67.8 Å²	67.8	61%	0.613	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-7.8	-178.3	55.8	0	0	0	0	114.2	P222 T249	P222-T224 PolarHBondContact O-N 2.9Å; T224-T249 WeakPolarHBondContact O-CB 3.15Å; T224-T249 PolarHBondContact O-OG1 3Å
225	N	91.6	Very high	84.2	Confident	43 Å²	43	64.9 Å²	64.9	23%	0.23	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-13.4	-177.7	-61.3	-35.7	0	0	0	113.3	N223 P248 T249 T310	N223-N225 VanDerWaalsContact C-N 3.32Å; N223-N225 PolarHBondContact O-N 3.42Å; N223-N225 WeakPolarHBondContact OD1-CB 3.35Å; N223-N225 PolarHBondContact OD1-N 3.43Å; N225-P248 WeakPolarHBondContact O-CA 3.33Å; N225-T249 PolarHBondContact O-N 3.43Å; N225-T249 PolarHBondContact O-OG1 3.34Å; N225-T310 HydrophobicContact CB-CG2 4Å; N225-T310 PolarHBondContact ND2-O 2.99Å; N225-T310 VanDerWaalsContact ND2-O 3.17Å
226	W	93.2	Very high	84.7	Confident	11 Å²	11	70.6 Å²	70.6	4%	0.042	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.9	-178.8	-64.1	90.4	0	0	0	110.6	V247 P248 T249 C271 L274 S281 I307 T310	W226-V247 CarbonylContact C-O 3.29Å; W226-V247 WeakPolarHBondContact CA-O 3.36Å; W226-V247 VanDerWaalsContact CE3-C 3.42Å; W226-P248 HydrophobicContact CE3-CG 4.32Å; W226-P248 HydrophobicContact CH2-CG 4.18Å; W226-P248 HydrophobicContact CZ3-CG 3.83Å; W226-T249 PolarHBondContact N-OG1 2.84Å; W226-C271 HydrophobicContact CD2-CB 4.21Å; W226-C271 HydrophobicContact CE3-CB 3.56Å; W226-C271 HydrophobicContact CH2-CB 3.86Å; W226-C271 HydrophobicContact CZ2-CB 4.46Å; W226-C271 HydrophobicContact CZ3-CB 3.38Å; W226-L274 HydrophobicContact CB-CD1 4.31Å; W226-L274 HydrophobicContact CD2-CD2 4.18Å; W226-L274 HydrophobicContact CG-CD1 4.09Å; W226-L274 HydrophobicContact CG-CD2 4.1Å; W226-L274 HydrophobicContact CZ2-CD2 4.42Å; W226-S281 WeakPolarHBondContact CZ2-OG 3.22Å; W226-I307 HydrophobicContact CH2-CG1 4.1Å; W226-I307 HydrophobicContact CH2-CG2 4.18Å; W226-T310 HydrophobicContact CZ2-CG2 3.87Å; W226-T310 WeakPolarHBondContact CZ2-OG1 3.49Å
227	R	92.7	Very high	85.6	Confident	62 Å²	62	70.5 Å²	70.5	23%	0.234	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	155.3	177.8	70.9	175.9	-179.6	87.8	3.7	111.6	S229 C246 V247 T251 D253	R227-S229 VanDerWaalsContact NH1-CB 3.35Å; R227-C246 WeakPolarHBondContact O-CA 3.3Å; R227-V247 HydrophobicContact CG-CG2 3.82Å; R227-V247 PolarHBondContact N-O 2.78Å; R227-V247 PolarHBondContact O-N 3.16Å; R227-T251 PolarHBondContact NE-O 2.75Å; R227-T251 PolarHBondContact NH2-O 3.38Å; R227-D253 IonicContact CZ-OD1 3.33Å; R227-D253 VanDerWaalsContact CZ-OD1 3.3Å; R227-D253 IonicContact NH1-OD1 2.89Å; R227-D253 PolarHBondContact NH1-OD1 3.31Å; R227-D253 IonicContact NH2-OD1 2.9Å; R227-D253 PolarHBondContact NH2-OD1 2.94Å
228	I	93.9	Very high	87	Confident	54 Å²	54	66.6 Å²	66.6	28%	0.277	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	116.3	169.7	-60.9	179.7	0	0	0	108.3	V209 Y212 I244	V209-I228 HydrophobicContact CG1-CD1 4.35Å; Y212-I228 HydrophobicContact CD2-CD1 4.3Å; Y212-I228 HydrophobicContact CD2-CG1 4.38Å; Y212-I228 HydrophobicContact CG-CD1 4.37Å; Y212-I228 HydrophobicContact CG-CG1 4.41Å; I228-I244 HydrophobicContact CG2-CG2 3.18Å
229	S	95.2	Very high	88.7	Confident	1 Å²	1	70 Å²	70	1%	0.007	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.4	172.8	179.1	0	0	0	0	111.1	R227 V231 L245 D253	R227-S229 VanDerWaalsContact NH1-CB 3.35Å; S229-V231 WeakPolarHBondContact OG-CB 3.19Å; S229-V231 VanDerWaalsContact OG-CG1 3.26Å; S229-V231 WeakPolarHBondContact OG-CG1 3.34Å; S229-V231 PolarHBondContact OG-N 2.8Å; S229-V231 VanDerWaalsContact OG-N 3.13Å; S229-L245 PolarHBondContact N-O 3.38Å; S229-L245 PolarHBondContact O-N 3.4Å; S229-D253 PolarHBondContact OG-OD1 3.01Å; S229-D253 PolarHBondContact OG-OD2 2.93Å
230	Q	96.1	Very high	90.6	Very high	82 Å²	82	63.5 Å²	63.5	38%	0.383	33%	0.325	S	S	.	.			trans	-101.2	11.9	174	-65	-73.6	-21.1	0	0	111.7	N232 R233 I244	Q230-N232 PolarHBondContact O-N 3.42Å; Q230-R233 HydrophobicContact CB-CB 4.5Å; Q230-R233 WeakPolarHBondContact O-CB 3.37Å; Q230-R233 PolarHBondContact O-N 2.74Å; Q230-I244 VanDerWaalsContact NE2-CD1 3.35Å
231	V	96.9	Very high	92.2	Very high	44 Å²	44	60.5 Å²	60.5	27%	0.267	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.5	-177.9	69.4	0	0	0	0	113	S229 M237 L245 D253 L256	S229-V231 WeakPolarHBondContact OG-CB 3.19Å; S229-V231 VanDerWaalsContact OG-CG1 3.26Å; S229-V231 WeakPolarHBondContact OG-CG1 3.34Å; S229-V231 PolarHBondContact OG-N 2.8Å; S229-V231 VanDerWaalsContact OG-N 3.13Å; V231-M237 HydrophobicContact CG1-CE 3.53Å; V231-M237 HydrophobicContact CG1-SD 3.97Å; V231-M237 HydrophobicContact CG2-SD 4.06Å; V231-L245 HydrophobicContact CG1-CD1 4.17Å; V231-D253 HydrophobicContact CB-CB 4.14Å; V231-D253 HydrophobicContact CG2-CB 3.98Å; V231-L256 HydrophobicContact CG1-CD1 4.01Å
232	N	97.6	Very high	93.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	15.3	178.9	-155.9	42	0	0	0	113.8	Q230 R234 Y235 M237 A238 Y241 P242 N243 L245	Q230-N232 PolarHBondContact O-N 3.42Å; N232-R234 PolarHBondContact O-N 3.31Å; N232-Y235 PolarHBondContact O-N 3.35Å; N232-Y235 WeakPolarHBondContact OD1-CA 3.41Å; N232-M237 HydrophobicContact CB-CE 4.28Å; N232-M237 PolarHBondContact OD1-N 3.43Å; N232-A238 PolarHBondContact ND2-O 2.84Å; N232-A238 PolarHBondContact OD1-N 2.89Å; N232-A238 PolarHBondContact OD1-O 2.84Å; N232-Y241 PolarHBondContact ND2-O 3.39Å; N232-P242 PolarHBondContact ND2-O 3.15Å; N232-N243 CarbonylContact C-O 3.57Å; N232-N243 WeakPolarHBondContact O-CA 3.49Å; N232-L245 HydrophobicContact CB-CD1 4.04Å; N232-L245 HydrophobicContact CB-CG 4.31Å
233	R	97.2	Very high	94.9	Very high	177 Å²	177	52.9 Å²	52.9	67%	0.668	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-31.8	-173	-178.2	173.7	179.6	178.4	2.7	114.3	Q230 N243	Q230-R233 HydrophobicContact CB-CB 4.5Å; Q230-R233 WeakPolarHBondContact O-CB 3.37Å; Q230-R233 PolarHBondContact O-N 2.74Å; R233-N243 WeakPolarHBondContact CA-O 3.36Å; R233-N243 PolarHBondContact N-O 3.19Å; R233-N243 VanDerWaalsContact N-O 3.13Å
234	R	96.7	Very high	95.7	Very high	202 Å²	202	52.7 Å²	52.7	76%	0.762	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.1	13.9	178.1	-64.3	-174.7	178.8	166.3	0.3	113.7	N232 N236	N232-R234 PolarHBondContact O-N 3.31Å; R234-N236 PolarHBondContact O-N 3.43Å; R234-N236 VanDerWaalsContact O-N 3.09Å; R234-N236 PolarHBondContact O-OD1 3.11Å
235	Y	97.2	Very high	96.1	Very high	15 Å²	15	47.9 Å²	47.9	6%	0.059	22%	0.22	C	C	.	.	S	Bend	trans	62.9	12.7	178.4	-52.6	-73.7	0	0	0	115.7	N232 N239 N243 E552 C553 W556	N232-Y235 PolarHBondContact O-N 3.35Å; N232-Y235 WeakPolarHBondContact OD1-CA 3.41Å; Y235-N239 WeakPolarHBondContact O-CA 3.49Å; Y235-N239 PolarHBondContact O-N 3.17Å; Y235-N243 HydrophobicContact CE1-CB 3.86Å; Y235-E552 HydrophobicContact CE1-CB 4.15Å; Y235-E552 HydrophobicContact CE1-CG 4.27Å; Y235-E552 VanDerWaalsContact CE1-OE1 3.23Å; Y235-E552 WeakPolarHBondContact CE1-OE1 3.37Å; Y235-E552 WeakPolarHBondContact OH-CG 3.33Å; Y235-E552 PolarHBondContact OH-OE1 3.47Å; Y235-C553 VanDerWaalsContact CB-SG 3.58Å; Y235-C553 HydrophobicContact CD1-CB 3.72Å; Y235-C553 HydrophobicContact CD2-CB 3.94Å; Y235-C553 HydrophobicContact CE1-CB 4.19Å; Y235-C553 HydrophobicContact CE2-CB 4.39Å; Y235-C553 HydrophobicContact CG-CB 3.58Å; Y235-W556 HydrophobicContact CD2-CE3 4.47Å; Y235-W556 HydrophobicContact CE2-CB 4.09Å; Y235-W556 HydrophobicContact CE2-CD2 4.15Å; Y235-W556 HydrophobicContact CE2-CE3 4.28Å; Y235-W556 HydrophobicContact CE2-CG 4.06Å
236	N	96.1	Very high	96.3	Very high	130 Å²	130	45.9 Å²	45.9	70%	0.695	21%	0.209	S	C	*	.	S	Bend	trans	-72.2	-32	-176.2	-69.2	-20.2	0	0	0	112.9	R234	R234-N236 PolarHBondContact O-N 3.43Å; R234-N236 VanDerWaalsContact O-N 3.09Å; R234-N236 PolarHBondContact O-OD1 3.11Å
237	M	96.2	Very high	96.5	Very high	20 Å²	20	45.4 Å²	45.4	10%	0.099	21%	0.207	C	C	.	.	S	Bend	trans	-76.9	-53.6	177.9	-174.9	179.1	69.2	0	0	110.2	V231 N232 L245 L256 A260 R266 L268	V231-M237 HydrophobicContact CG1-CE 3.53Å; V231-M237 HydrophobicContact CG1-SD 3.97Å; V231-M237 HydrophobicContact CG2-SD 4.06Å; N232-M237 HydrophobicContact CB-CE 4.28Å; N232-M237 PolarHBondContact OD1-N 3.43Å; M237-L245 HydrophobicContact CE-CD1 3.41Å; M237-L245 VanDerWaalsContact CE-CD1 3.41Å; M237-L256 HydrophobicContact SD-CB 4.45Å; M237-A260 HydrophobicContact CG-CB 3.95Å; M237-A260 HydrophobicContact SD-CB 4.07Å; M237-R266 VanDerWaalsContact O-CB 3.29Å; M237-R266 WeakPolarHBondContact O-CB 3.12Å; M237-R266 WeakPolarHBondContact O-CD 3.43Å; M237-L268 HydrophobicContact CE-CD1 4.28Å; M237-L268 HydrophobicContact CE-CD2 3.65Å
238	A	97.1	Very high	96.6	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.017	20%	0.196	C	C	.	.			trans	-142.8	99.9	-179.1	0	0	0	0	0	110.5	N232 T240 Y241 R266	N232-A238 PolarHBondContact ND2-O 2.84Å; N232-A238 PolarHBondContact OD1-N 2.89Å; N232-A238 PolarHBondContact OD1-O 2.84Å; A238-T240 PolarHBondContact O-N 2.71Å; A238-Y241 HydrophobicContact CB-CG 4.3Å; A238-Y241 PolarHBondContact O-N 2.68Å; A238-Y241 VanDerWaalsContact O-N 3.07Å; A238-R266 HydrophobicContact CB-CB 4.17Å; A238-R266 WeakPolarHBondContact CB-O 3.1Å
239	N	97.8	Very high	96.6	Very high	93 Å²	93	42.8 Å²	42.8	50%	0.497	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-5.5	-177.4	68.2	-6.6	0	0	0	115.2	Y235 S551 C553	Y235-N239 WeakPolarHBondContact O-CA 3.49Å; Y235-N239 PolarHBondContact O-N 3.17Å; N239-S551 PolarHBondContact O-OG 3.33Å; N239-C553 HydrophobicContact CB-CB 4.49Å; N239-C553 WeakPolarHBondContact O-CB 3.06Å
240	T	98.2	Very high	96.7	Very high	14 Å²	14	50.3 Å²	50.3	9%	0.086	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	1.2	175.3	60.2	0	0	0	0	113.1	A238 R267 W448 F483	A238-T240 PolarHBondContact O-N 2.71Å; T240-R267 VanDerWaalsContact C-NH1 3.32Å; T240-R267 VanDerWaalsContact CB-NH1 3.3Å; T240-R267 PolarHBondContact O-NH1 2.87Å; T240-R267 PolarHBondContact OG1-NH1 3.33Å; T240-W448 HydrophobicContact CG2-CZ3 4.02Å; T240-F483 CarbonylContact O-C 3.19Å
241	Y	98.2	Very high	96.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-101.3	160.5	172.2	-97.8	17.1	0	0	0	111.2	N232 A238 L245 R267 L268 V270 R284 F483	N232-Y241 PolarHBondContact ND2-O 3.39Å; A238-Y241 HydrophobicContact CB-CG 4.3Å; A238-Y241 PolarHBondContact O-N 2.68Å; A238-Y241 VanDerWaalsContact O-N 3.07Å; Y241-L245 HydrophobicContact CD2-CD1 4.26Å; Y241-L245 HydrophobicContact CD2-CD2 3.63Å; Y241-L245 HydrophobicContact CE2-CD2 4.4Å; Y241-L245 HydrophobicContact CG-CD2 4.24Å; Y241-R267 HydrophobicContact CD1-CB 4.31Å; Y241-R267 HydrophobicContact CD1-CG 3.99Å; Y241-R267 VanDerWaalsContact CD1-NH1 3.33Å; Y241-R267 HydrophobicContact CE1-CB 3.7Å; Y241-R267 HydrophobicContact CE1-CG 3.81Å; Y241-L268 HydrophobicContact CD2-CD2 3.98Å; Y241-L268 HydrophobicContact CE2-CD2 3.83Å; Y241-L268 VanDerWaalsContact CE2-O 3.23Å; Y241-L268 WeakPolarHBondContact CE2-O 3.24Å; Y241-L268 PolarHBondContact OH-O 3.28Å; Y241-V270 HydrophobicContact CD2-CG1 4.44Å; Y241-V270 HydrophobicContact CD2-CG2 4.44Å; Y241-V270 HydrophobicContact CE2-CB 4.39Å; Y241-V270 HydrophobicContact CE2-CG1 3.82Å; Y241-V270 HydrophobicContact CE2-CG2 3.61Å; Y241-R284 PolarHBondContact OH-O 2.84Å; Y241-R284 VanDerWaalsContact OH-O 3.14Å; Y241-F483 AromaticContact CD1-CD1 3.82Å; Y241-F483 HydrophobicContact CD1-CD1 3.82Å; Y241-F483 HydrophobicContact CD1-CE1 4.13Å; Y241-F483 AromaticContact CE1-CD1 3.66Å; Y241-F483 HydrophobicContact CE1-CD1 3.66Å; Y241-F483 AromaticContact CE1-CE1 3.87Å; Y241-F483 HydrophobicContact CE1-CE1 3.87Å; Y241-F483 HydrophobicContact CE2-CE1 4.29Å; Y241-F483 HydrophobicContact CG-CD1 4.48Å; Y241-F483 HydrophobicContact CG-CE1 4.44Å; Y241-F483 AromaticContact CZ-CE1 3.95Å
242	P	98.2	Very high	96.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.226	C	C	.	.			trans	-62.7	159.9	173.1	26.3	-32.8	0	0	0	111.1	N232 I244 L245 F483 E552	N232-P242 PolarHBondContact ND2-O 3.15Å; P242-I244 PolarHBondContact O-N 2.9Å; P242-L245 HydrophobicContact CG-CD2 3.93Å; P242-F483 HydrophobicContact CG-CE1 4.24Å; P242-F483 HydrophobicContact CG-CE2 4.39Å; P242-F483 HydrophobicContact CG-CZ 4.18Å; P242-E552 WeakPolarHBondContact CA-OE1 3.35Å
243	N	97.1	Very high	96.6	Very high	42 Å²	42	49.2 Å²	49.2	23%	0.225	24%	0.239	C	C	.	.	S	Bend	trans	-64.4	-20.5	177.8	65.8	-8.8	0	0	0	113.8	N232 R233 Y235 E552	N232-N243 CarbonylContact C-O 3.57Å; N232-N243 WeakPolarHBondContact O-CA 3.49Å; R233-N243 WeakPolarHBondContact CA-O 3.36Å; R233-N243 PolarHBondContact N-O 3.19Å; R233-N243 VanDerWaalsContact N-O 3.13Å; Y235-N243 HydrophobicContact CE1-CB 3.86Å; N243-E552 PolarHBondContact N-OE1 3.12Å
244	I	95.9	Very high	96.5	Very high	14 Å²	14	47.2 Å²	47.2	7%	0.072	24%	0.237	C	C	.	.	S	Bend	trans	-124.5	132.4	-178	-64	175.3	0	0	0	110.2	P208 V209 Y212 I228 Q230 P242	P208-I244 HydrophobicContact CB-CD1 4.44Å; V209-I244 HydrophobicContact CG2-CD1 3.87Å; Y212-I244 HydrophobicContact CD2-CG2 4.17Å; Y212-I244 HydrophobicContact CE2-CG2 3.85Å; Y212-I244 PolarHBondContact OH-O 2.97Å; I228-I244 HydrophobicContact CG2-CG2 3.18Å; Q230-I244 VanDerWaalsContact NE2-CD1 3.35Å; P242-I244 PolarHBondContact O-N 2.9Å
245	L	96.3	Very high	96.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	139.1	-175.6	-55.2	178.6	0	0	0	111.6	S229 V231 N232 M237 Y241 P242 V247 L268 V270	S229-L245 PolarHBondContact N-O 3.38Å; S229-L245 PolarHBondContact O-N 3.4Å; V231-L245 HydrophobicContact CG1-CD1 4.17Å; N232-L245 HydrophobicContact CB-CD1 4.04Å; N232-L245 HydrophobicContact CB-CG 4.31Å; M237-L245 HydrophobicContact CE-CD1 3.41Å; M237-L245 VanDerWaalsContact CE-CD1 3.41Å; Y241-L245 HydrophobicContact CD2-CD1 4.26Å; Y241-L245 HydrophobicContact CD2-CD2 3.63Å; Y241-L245 HydrophobicContact CE2-CD2 4.4Å; Y241-L245 HydrophobicContact CG-CD2 4.24Å; P242-L245 HydrophobicContact CG-CD2 3.93Å; L245-V247 HydrophobicContact CB-CG1 4.23Å; L245-L268 HydrophobicContact CD1-CD2 4.16Å; L245-V270 HydrophobicContact CB-CG1 4.12Å; L245-V270 HydrophobicContact CD1-CG1 4.27Å; L245-V270 HydrophobicContact CD2-CG1 4.24Å; L245-V270 HydrophobicContact CG-CG1 4.45Å
246	C	95.3	Very high	96.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.1	170.1	-175	0	0	0	0	110.1	Y212 R227 C271	Y212-C246 HydrophobicContact CD1-CB 3.68Å; Y212-C246 HydrophobicContact CE1-CB 3.43Å; Y212-C246 VanDerWaalsContact CE1-CB 3.43Å; Y212-C246 HydrophobicContact CG-CB 4.48Å; R227-C246 WeakPolarHBondContact O-CA 3.3Å; C246-C271 HydrophobicContact CB-CB 4.14Å; C246-C271 PolarHBondContact O-N 2.92Å
247	V	96.2	Very high	96.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	160.6	-170.8	-62.5	0	0	0	0	110.4	W226 R227 L245 L256 V270	W226-V247 CarbonylContact C-O 3.29Å; W226-V247 WeakPolarHBondContact CA-O 3.36Å; W226-V247 VanDerWaalsContact CE3-C 3.42Å; R227-V247 HydrophobicContact CG-CG2 3.82Å; R227-V247 PolarHBondContact N-O 2.78Å; R227-V247 PolarHBondContact O-N 3.16Å; L245-V247 HydrophobicContact CB-CG1 4.23Å; V247-L256 HydrophobicContact CB-CD1 4.42Å; V247-L256 HydrophobicContact CB-CD2 4.16Å; V247-L256 HydrophobicContact CG1-CD1 4.06Å; V247-L256 HydrophobicContact CG1-CD2 3.91Å; V247-L256 HydrophobicContact CG2-CD1 4.09Å; V247-V270 HydrophobicContact CG1-CG1 4.2Å
248	P	95.5	Very high	96.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	139	175.5	-23.8	34.5	0	0	0	112.4	N225 W226 L250 T251 Y303 T306 I307 T310	N225-P248 WeakPolarHBondContact O-CA 3.33Å; W226-P248 HydrophobicContact CE3-CG 4.32Å; W226-P248 HydrophobicContact CH2-CG 4.18Å; W226-P248 HydrophobicContact CZ3-CG 3.83Å; P248-L250 PolarHBondContact O-N 2.8Å; P248-T251 PolarHBondContact O-N 2.87Å; P248-Y303 WeakPolarHBondContact CD-OH 3.41Å; P248-Y303 HydrophobicContact CG-CE2 4.17Å; P248-T306 HydrophobicContact CB-CG2 3.54Å; P248-T306 HydrophobicContact CG-CG2 4.16Å; P248-I307 HydrophobicContact CG-CG1 3.77Å; P248-T310 HydrophobicContact CB-CG2 4.2Å; P248-T310 HydrophobicContact CG-CG2 4.44Å
249	T	94.8	Very high	96.4	Very high	61 Å²	61	39.5 Å²	39.5	37%	0.374	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-34.2	-178.9	-58.1	0	0	0	0	112.6	T224 N225 W226 T251	T224-T249 WeakPolarHBondContact O-CB 3.15Å; T224-T249 PolarHBondContact O-OG1 3Å; N225-T249 PolarHBondContact O-N 3.43Å; N225-T249 PolarHBondContact O-OG1 3.34Å; W226-T249 PolarHBondContact N-OG1 2.84Å; T249-T251 VanDerWaalsContact C-N 3.26Å; T249-T251 PolarHBondContact O-N 3.32Å
250	L	95.8	Very high	96.5	Very high	159 Å²	159	35.1 Å²	35.1	83%	0.832	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.1	-176.7	-62.3	177.6	0	0	0	114.5	P248 T306	P248-L250 PolarHBondContact O-N 2.8Å; L250-T306 HydrophobicContact CB-CG2 3.87Å; L250-T306 HydrophobicContact CD1-CG2 4.43Å
251	T	96.5	Very high	96.4	Very high	10 Å²	10	39.4 Å²	39.4	6%	0.061	21%	0.211	C	C	.	.	S	Bend	trans	-97.1	127.9	-179.7	-50.8	0	0	0	0	110.3	R227 P248 T249 D255 L256 Y303	R227-T251 PolarHBondContact NE-O 2.75Å; R227-T251 PolarHBondContact NH2-O 3.38Å; P248-T251 PolarHBondContact O-N 2.87Å; T249-T251 VanDerWaalsContact C-N 3.26Å; T249-T251 PolarHBondContact O-N 3.32Å; T251-D255 HydrophobicContact CG2-CB 3.9Å; T251-L256 HydrophobicContact CG2-CD2 3.77Å; T251-L256 HydrophobicContact CG2-CG 4.13Å; T251-Y303 HydrophobicContact CG2-CD2 3.59Å; T251-Y303 HydrophobicContact CG2-CE2 3.77Å; T251-Y303 WeakPolarHBondContact OG1-CD2 3.47Å
252	S	96.7	Very high	96.4	Very high	41 Å²	41	40.1 Å²	40.1	29%	0.287	21%	0.214	S	C	.	.			trans	-72.1	157.9	174.1	72.1	0	0	0	0	112.5	E254 D255 L256	S252-E254 VanDerWaalsContact C-N 3.26Å; S252-E254 PolarHBondContact O-N 3.34Å; S252-D255 PolarHBondContact O-N 3.05Å; S252-D255 WeakPolarHBondContact OG-CB 3.37Å; S252-D255 PolarHBondContact OG-N 2.88Å; S252-D255 PolarHBondContact OG-OD2 3.16Å; S252-L256 WeakPolarHBondContact O-CG 3.19Å; S252-L256 PolarHBondContact O-N 3.18Å; S252-L256 VanDerWaalsContact O-N 3.13Å
253	D	96.1	Very high	96.4	Very high	51 Å²	51	40.3 Å²	40.3	27%	0.273	22%	0.215	S	C	.	.	H	α-helix	trans	-67	-29.6	176.8	-78.7	-6.3	0	0	0	111.8	R227 S229 V231 L256 A257	R227-D253 IonicContact CZ-OD1 3.33Å; R227-D253 VanDerWaalsContact CZ-OD1 3.3Å; R227-D253 IonicContact NH1-OD1 2.89Å; R227-D253 PolarHBondContact NH1-OD1 3.31Å; R227-D253 IonicContact NH2-OD1 2.9Å; R227-D253 PolarHBondContact NH2-OD1 2.94Å; S229-D253 PolarHBondContact OG-OD1 3.01Å; S229-D253 PolarHBondContact OG-OD2 2.93Å; V231-D253 HydrophobicContact CB-CB 4.14Å; V231-D253 HydrophobicContact CG2-CB 3.98Å; D253-L256 WeakPolarHBondContact O-CB 3.28Å; D253-L256 PolarHBondContact O-N 3.03Å; D253-A257 PolarHBondContact O-N 3.2Å
254	E	95.3	Very high	96.4	Very high	136 Å²	136	39.5 Å²	39.5	64%	0.636	21%	0.213	S	C	*	.	H	α-helix	trans	-64.2	-41.3	172.6	-66.3	73	-160.5	0	0	111.9	S252 A257 K258	S252-E254 VanDerWaalsContact C-N 3.26Å; S252-E254 PolarHBondContact O-N 3.34Å; E254-A257 WeakPolarHBondContact O-CB 3.47Å; E254-A257 PolarHBondContact O-N 3.17Å; E254-K258 PolarHBondContact O-N 2.79Å
255	D	96.7	Very high	96.5	Very high	56 Å²	56	44.3 Å²	44.3	30%	0.299	23%	0.23	S	C	.	.	H	α-helix	trans	-69.8	-35.3	177.1	-67.4	-41.1	0	0	0	111.8	T251 S252 A257 K258 V259	T251-D255 HydrophobicContact CG2-CB 3.9Å; S252-D255 PolarHBondContact O-N 3.05Å; S252-D255 WeakPolarHBondContact OG-CB 3.37Å; S252-D255 PolarHBondContact OG-N 2.88Å; S252-D255 PolarHBondContact OG-OD2 3.16Å; D255-A257 PolarHBondContact O-N 3.37Å; D255-K258 WeakPolarHBondContact O-CB 3.42Å; D255-K258 PolarHBondContact O-N 2.78Å; D255-K258 IonicContact OD1-NZ 3.59Å; D255-K258 PolarHBondContact OD1-NZ 2.9Å; D255-V259 WeakPolarHBondContact O-CG2 3.27Å; D255-V259 PolarHBondContact O-N 2.93Å; D255-V259 VanDerWaalsContact O-N 3.08Å
256	L	97.7	Very high	96.6	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.6	-37.8	172.2	-64.2	175.4	0	0	0	111.7	V231 M237 V247 T251 S252 D253 K258 V259 A260 L268 Y303	V231-L256 HydrophobicContact CG1-CD1 4.01Å; M237-L256 HydrophobicContact SD-CB 4.45Å; V247-L256 HydrophobicContact CB-CD1 4.42Å; V247-L256 HydrophobicContact CB-CD2 4.16Å; V247-L256 HydrophobicContact CG1-CD1 4.06Å; V247-L256 HydrophobicContact CG1-CD2 3.91Å; V247-L256 HydrophobicContact CG2-CD1 4.09Å; T251-L256 HydrophobicContact CG2-CD2 3.77Å; T251-L256 HydrophobicContact CG2-CG 4.13Å; S252-L256 WeakPolarHBondContact O-CG 3.19Å; S252-L256 PolarHBondContact O-N 3.18Å; S252-L256 VanDerWaalsContact O-N 3.13Å; D253-L256 WeakPolarHBondContact O-CB 3.28Å; D253-L256 PolarHBondContact O-N 3.03Å; L256-K258 VanDerWaalsContact C-N 3.31Å; L256-K258 PolarHBondContact O-N 2.8Å; L256-V259 PolarHBondContact O-N 2.86Å; L256-A260 VanDerWaalsContact O-CB 3.31Å; L256-A260 WeakPolarHBondContact O-CB 3.49Å; L256-A260 PolarHBondContact O-N 3.45Å; L256-L268 HydrophobicContact CB-CD1 3.85Å; L256-L268 HydrophobicContact CD2-CD1 3.77Å; L256-L268 HydrophobicContact CG-CD1 4.33Å; L256-Y303 HydrophobicContact CD2-CD2 4.27Å; L256-Y303 HydrophobicContact CD2-CE2 3.47Å; L256-Y303 VanDerWaalsContact CD2-CE2 3.47Å
257	A	94.5	Very high	96.7	Very high	38 Å²	38	49.9 Å²	49.9	31%	0.314	25%	0.251	S	S	.	.	H	α-helix	trans	-64	-36.5	177.6	0	0	0	0	0	112.1	D253 E254 D255 A260 N261	D253-A257 PolarHBondContact O-N 3.2Å; E254-A257 WeakPolarHBondContact O-CB 3.47Å; E254-A257 PolarHBondContact O-N 3.17Å; D255-A257 PolarHBondContact O-N 3.37Å; A257-A260 PolarHBondContact O-N 2.87Å; A257-N261 PolarHBondContact O-N 2.88Å; A257-N261 VanDerWaalsContact O-N 3.08Å; A257-N261 PolarHBondContact O-ND2 3.14Å
258	K	94.9	Very high	96.8	Very high	113 Å²	113	49.9 Å²	49.9	49%	0.491	25%	0.251	S	S	.	.	H	α-helix	trans	-66	-44.9	175.2	-59.5	172.6	-169.3	158.6	0	111.2	E254 D255 L256 N261 F262	E254-K258 PolarHBondContact O-N 2.79Å; D255-K258 WeakPolarHBondContact O-CB 3.42Å; D255-K258 PolarHBondContact O-N 2.78Å; D255-K258 IonicContact OD1-NZ 3.59Å; D255-K258 PolarHBondContact OD1-NZ 2.9Å; L256-K258 VanDerWaalsContact C-N 3.31Å; L256-K258 PolarHBondContact O-N 2.8Å; K258-N261 PolarHBondContact O-N 3.34Å; K258-F262 PolarHBondContact O-N 3.31Å
259	V	98	Very high	97	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-46.2	175.7	-178.3	0	0	0	0	110.4	D255 L256 N261 F262 R263 L268 D300 Y303	D255-V259 WeakPolarHBondContact O-CG2 3.27Å; D255-V259 PolarHBondContact O-N 2.93Å; D255-V259 VanDerWaalsContact O-N 3.08Å; L256-V259 PolarHBondContact O-N 2.86Å; V259-N261 VanDerWaalsContact C-N 3.31Å; V259-N261 PolarHBondContact O-N 3.23Å; V259-F262 PolarHBondContact O-N 3.4Å; V259-R263 HydrophobicContact CG1-CG 4.47Å; V259-R263 WeakPolarHBondContact O-CG 3.11Å; V259-R263 PolarHBondContact O-N 3.02Å; V259-L268 HydrophobicContact CB-CB 4.4Å; V259-L268 HydrophobicContact CG1-CB 3.82Å; V259-D300 HydrophobicContact CG1-CB 4.44Å; V259-D300 WeakPolarHBondContact CG1-OD2 3.06Å; V259-Y303 HydrophobicContact CG1-CD1 3.87Å; V259-Y303 HydrophobicContact CG1-CE1 4.36Å; V259-Y303 HydrophobicContact CG1-CG 4.26Å; V259-Y303 HydrophobicContact CG2-CD1 4.26Å; V259-Y303 HydrophobicContact CG2-CD2 4.24Å; V259-Y303 HydrophobicContact CG2-CG 3.8Å
260	A	98	Very high	97.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.1	-43.3	178.2	0	0	0	0	0	111.5	M237 L256 A257 F262 R263 R266 L268	M237-A260 HydrophobicContact CG-CB 3.95Å; M237-A260 HydrophobicContact SD-CB 4.07Å; L256-A260 VanDerWaalsContact O-CB 3.31Å; L256-A260 WeakPolarHBondContact O-CB 3.49Å; L256-A260 PolarHBondContact O-N 3.45Å; A257-A260 PolarHBondContact O-N 2.87Å; A260-F262 PolarHBondContact O-N 3.45Å; A260-F262 VanDerWaalsContact O-N 3.17Å; A260-R263 PolarHBondContact O-N 3.3Å; A260-R263 VanDerWaalsContact O-N 3.09Å; A260-R263 VanDerWaalsContact O-O 3.09Å; A260-R266 HydrophobicContact CB-CB 4.07Å; A260-R266 HydrophobicContact CB-CG 4.46Å; A260-R266 VanDerWaalsContact O-CA 3.27Å; A260-R266 WeakPolarHBondContact O-CA 3.18Å; A260-L268 HydrophobicContact CB-CB 4.38Å; A260-L268 HydrophobicContact CB-CD2 4.45Å
261	N	96.7	Very high	97.2	Very high	104 Å²	104	39.4 Å²	39.4	56%	0.556	19%	0.193	S	C	*	.	H	α-helix	trans	-63.2	-22.1	178.1	-74.5	-34.8	0	0	0	114.4	A257 K258 V259 R266	A257-N261 PolarHBondContact O-N 2.88Å; A257-N261 VanDerWaalsContact O-N 3.08Å; A257-N261 PolarHBondContact O-ND2 3.14Å; K258-N261 PolarHBondContact O-N 3.34Å; V259-N261 VanDerWaalsContact C-N 3.31Å; V259-N261 PolarHBondContact O-N 3.23Å; N261-R266 PolarHBondContact OD1-NE 3.18Å; N261-R266 VanDerWaalsContact OD1-NE 3.13Å; N261-R266 PolarHBondContact OD1-NH2 3.45Å
262	F	97.8	Very high	97.2	Very high	15 Å²	15	38.9 Å²	38.9	7%	0.066	19%	0.19	C	C	.	.	H	α-helix	trans	-88.2	-18.8	176.1	-169.3	-120.2	0	0	0	113.5	K258 V259 A260 P288 S289 V290 R295 N297 D300	K258-F262 PolarHBondContact O-N 3.31Å; V259-F262 PolarHBondContact O-N 3.4Å; A260-F262 PolarHBondContact O-N 3.45Å; A260-F262 VanDerWaalsContact O-N 3.17Å; F262-P288 HydrophobicContact CD1-CB 4.12Å; F262-P288 HydrophobicContact CE1-CB 3.64Å; F262-P288 HydrophobicContact CZ-CB 4.29Å; F262-S289 WeakPolarHBondContact O-CB 3.07Å; F262-S289 PolarHBondContact O-N 2.8Å; F262-S289 PolarHBondContact O-OG 2.9Å; F262-V290 HydrophobicContact CE1-CG1 4.42Å; F262-V290 HydrophobicContact CZ-CG1 3.85Å; F262-R295 HydrophobicContact CE2-CB 4.33Å; F262-R295 WeakPolarHBondContact CZ-O 3.15Å; F262-N297 HydrophobicContact CB-CB 3.9Å; F262-N297 HydrophobicContact CD1-CB 3.55Å; F262-N297 HydrophobicContact CD2-CB 3.55Å; F262-N297 HydrophobicContact CE1-CB 3.84Å; F262-N297 HydrophobicContact CE2-CB 3.85Å; F262-N297 HydrophobicContact CG-CB 3.37Å; F262-N297 HydrophobicContact CZ-CB 3.97Å; F262-D300 HydrophobicContact CD1-CB 3.68Å; F262-D300 HydrophobicContact CE1-CB 4.33Å; F262-D300 HydrophobicContact CG-CB 4.47Å
263	R	98.3	Very high	97.1	Very high	4 Å²	4	37 Å²	37	2%	0.015	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-95.7	135.5	-176.6	-67.7	-87.2	179.9	179.9	-9.4	110.3	V259 A260 R265 R266 S285 S286 D300 E339	V259-R263 HydrophobicContact CG1-CG 4.47Å; V259-R263 WeakPolarHBondContact O-CG 3.11Å; V259-R263 PolarHBondContact O-N 3.02Å; A260-R263 PolarHBondContact O-N 3.3Å; A260-R263 VanDerWaalsContact O-N 3.09Å; A260-R263 VanDerWaalsContact O-O 3.09Å; R263-R265 PolarHBondContact O-N 3.3Å; R263-R266 WeakPolarHBondContact O-CA 3.31Å; R263-R266 PolarHBondContact O-N 3.22Å; R263-S285 PolarHBondContact NH1-OG 3.35Å; R263-S286 WeakPolarHBondContact CD-O 3.04Å; R263-S286 PolarHBondContact NH1-O 3.39Å; R263-S286 VanDerWaalsContact NH1-O 3.17Å; R263-D300 IonicContact CZ-OD1 3.71Å; R263-D300 IonicContact CZ-OD2 3.1Å; R263-D300 IonicContact NE-OD1 3.8Å; R263-D300 IonicContact NE-OD2 2.77Å; R263-D300 PolarHBondContact NE-OD2 3.42Å; R263-D300 IonicContact NH2-OD1 3.94Å; R263-D300 PolarHBondContact NH2-OD1 3.34Å; R263-D300 IonicContact NH2-OD2 2.93Å; R263-D300 PolarHBondContact NH2-OD2 3.23Å; R263-E339 IonicContact CZ-OE1 3.72Å; R263-E339 IonicContact NH1-OE1 3.57Å; R263-E339 PolarHBondContact NH1-OE1 3.12Å; R263-E339 IonicContact NH2-OE1 2.7Å; R263-E339 PolarHBondContact NH2-OE1 2.86Å
264	S	98	Very high	97	Very high	25 Å²	25	34.9 Å²	34.9	18%	0.175	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-52.7	130.2	-178.3	-179.8	0	0	0	0	112	R266 R267 S286 Q287	S264-R266 PolarHBondContact O-N 3.32Å; S264-R267 PolarHBondContact O-N 3.12Å; S264-S286 PolarHBondContact N-OG 3.44Å; S264-S286 VanDerWaalsContact N-OG 3.09Å; S264-S286 WeakPolarHBondContact O-CB 3.28Å; S264-S286 PolarHBondContact O-OG 3.42Å; S264-Q287 PolarHBondContact N-O 3.21Å
265	R	97.1	Very high	96.8	Very high	115 Å²	115	30 Å²	30	43%	0.434	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	54	25.6	-175.5	-54.5	-171.3	176.9	117.1	3	114.2	R263 R267 D446	R263-R265 PolarHBondContact O-N 3.3Å; R265-R267 HydrophobicContact CB-CG 4.42Å; R265-R267 PolarHBondContact O-N 3.2Å; R265-D446 IonicContact CZ-OD1 3.64Å; R265-D446 IonicContact CZ-OD2 2.74Å; R265-D446 IonicContact NH1-OD1 3.21Å; R265-D446 PolarHBondContact NH1-OD1 3.04Å; R265-D446 IonicContact NH1-OD2 2.97Å; R265-D446 PolarHBondContact NH1-OD2 3.48Å; R265-D446 IonicContact NH2-OD1 3.39Å; R265-D446 IonicContact NH2-OD2 3.53Å
266	R	98.1	Very high	96.2	Very high	119 Å²	119	30.4 Å²	30.4	45%	0.449	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	63	23	178.3	-62.1	-175.2	174.8	159.7	0.3	115.4	M237 A238 A260 N261 R263 S264 L268	M237-R266 VanDerWaalsContact O-CB 3.29Å; M237-R266 WeakPolarHBondContact O-CB 3.12Å; M237-R266 WeakPolarHBondContact O-CD 3.43Å; A238-R266 HydrophobicContact CB-CB 4.17Å; A238-R266 WeakPolarHBondContact CB-O 3.1Å; A260-R266 HydrophobicContact CB-CB 4.07Å; A260-R266 HydrophobicContact CB-CG 4.46Å; A260-R266 VanDerWaalsContact O-CA 3.27Å; A260-R266 WeakPolarHBondContact O-CA 3.18Å; N261-R266 PolarHBondContact OD1-NE 3.18Å; N261-R266 VanDerWaalsContact OD1-NE 3.13Å; N261-R266 PolarHBondContact OD1-NH2 3.45Å; R263-R266 WeakPolarHBondContact O-CA 3.31Å; R263-R266 PolarHBondContact O-N 3.22Å; S264-R266 PolarHBondContact O-N 3.32Å; R266-L268 VanDerWaalsContact C-N 3.31Å; R266-L268 PolarHBondContact O-N 3.09Å
267	R	98.6	Very high	95.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.			trans	-87.9	71.7	-179.8	-61.5	172.4	67.9	81.2	1	110.3	T240 Y241 S264 R265 S285 S286 D446 G447 F483	T240-R267 VanDerWaalsContact C-NH1 3.32Å; T240-R267 VanDerWaalsContact CB-NH1 3.3Å; T240-R267 PolarHBondContact O-NH1 2.87Å; T240-R267 PolarHBondContact OG1-NH1 3.33Å; Y241-R267 HydrophobicContact CD1-CB 4.31Å; Y241-R267 HydrophobicContact CD1-CG 3.99Å; Y241-R267 VanDerWaalsContact CD1-NH1 3.33Å; Y241-R267 HydrophobicContact CE1-CB 3.7Å; Y241-R267 HydrophobicContact CE1-CG 3.81Å; S264-R267 PolarHBondContact O-N 3.12Å; R265-R267 HydrophobicContact CB-CG 4.42Å; R265-R267 PolarHBondContact O-N 3.2Å; R267-S285 WeakPolarHBondContact O-CA 3.39Å; R267-S285 WeakPolarHBondContact O-CB 3.4Å; R267-S286 PolarHBondContact O-N 3.12Å; R267-S286 PolarHBondContact O-OG 2.83Å; R267-D446 WeakPolarHBondContact CD-O 3.42Å; R267-D446 PolarHBondContact NE-O 2.99Å; R267-G447 PolarHBondContact NH2-O 3.08Å; R267-F483 PolarHBondContact NH1-O 3.5Å; R267-F483 VanDerWaalsContact NH1-O 3.13Å; R267-F483 PolarHBondContact NH2-O 3.23Å
268	L	98.3	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.			trans	-58.1	155.2	176.2	72.9	171	0	0	0	113	M237 Y241 L245 L256 V259 A260 R266 V270	M237-L268 HydrophobicContact CE-CD1 4.28Å; M237-L268 HydrophobicContact CE-CD2 3.65Å; Y241-L268 HydrophobicContact CD2-CD2 3.98Å; Y241-L268 HydrophobicContact CE2-CD2 3.83Å; Y241-L268 VanDerWaalsContact CE2-O 3.23Å; Y241-L268 WeakPolarHBondContact CE2-O 3.24Å; Y241-L268 PolarHBondContact OH-O 3.28Å; L245-L268 HydrophobicContact CD1-CD2 4.16Å; L256-L268 HydrophobicContact CB-CD1 3.85Å; L256-L268 HydrophobicContact CD2-CD1 3.77Å; L256-L268 HydrophobicContact CG-CD1 4.33Å; V259-L268 HydrophobicContact CB-CB 4.4Å; V259-L268 HydrophobicContact CG1-CB 3.82Å; A260-L268 HydrophobicContact CB-CB 4.38Å; A260-L268 HydrophobicContact CB-CD2 4.45Å; R266-L268 VanDerWaalsContact C-N 3.31Å; R266-L268 PolarHBondContact O-N 3.09Å; L268-V270 HydrophobicContact CD2-CG1 4.28Å; L268-V270 HydrophobicContact CG-CG1 4.1Å; L268-V270 PolarHBondContact O-N 3.41Å
269	P	98.7	Very high	93.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.			trans	-59.8	125.5	174.3	-17.2	28.9	0	0	0	112.6	R284 Y303 L304 I307 L441	P269-R284 WeakPolarHBondContact CA-O 3.17Å; P269-Y303 HydrophobicContact CB-CD1 4.47Å; P269-Y303 HydrophobicContact CB-CE1 3.89Å; P269-Y303 HydrophobicContact CG-CD1 4.32Å; P269-Y303 HydrophobicContact CG-CE1 4.15Å; P269-Y303 WeakPolarHBondContact O-CE1 3.34Å; P269-Y303 PolarHBondContact O-OH 3.01Å; P269-L304 HydrophobicContact CB-CD2 4.27Å; P269-L304 HydrophobicContact CG-CD2 3.84Å; P269-I307 HydrophobicContact CB-CD1 4.04Å; P269-L441 HydrophobicContact CB-CD1 3.79Å; P269-L441 HydrophobicContact CB-CD2 4.24Å; P269-L441 HydrophobicContact CG-CD1 4.36Å; P269-L441 HydrophobicContact CG-CD2 4.09Å
270	V	98.2	Very high	93.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146.8	176.2	-64	0	0	0	0	110.3	Y241 L245 V247 L268 C272 S283 R284 F483	Y241-V270 HydrophobicContact CD2-CG1 4.44Å; Y241-V270 HydrophobicContact CD2-CG2 4.44Å; Y241-V270 HydrophobicContact CE2-CB 4.39Å; Y241-V270 HydrophobicContact CE2-CG1 3.82Å; Y241-V270 HydrophobicContact CE2-CG2 3.61Å; L245-V270 HydrophobicContact CB-CG1 4.12Å; L245-V270 HydrophobicContact CD1-CG1 4.27Å; L245-V270 HydrophobicContact CD2-CG1 4.24Å; L245-V270 HydrophobicContact CG-CG1 4.45Å; V247-V270 HydrophobicContact CG1-CG1 4.2Å; L268-V270 HydrophobicContact CD2-CG1 4.28Å; L268-V270 HydrophobicContact CG-CG1 4.1Å; L268-V270 PolarHBondContact O-N 3.41Å; V270-C272 PolarHBondContact O-N 3.34Å; V270-S283 CarbonylContact O-C 3.5Å; V270-S283 WeakPolarHBondContact O-CA 3.27Å; V270-S283 WeakPolarHBondContact O-CB 3.28Å; V270-R284 HydrophobicContact CG2-CG 4.21Å; V270-R284 PolarHBondContact N-O 3.26Å; V270-R284 PolarHBondContact O-N 3.22Å; V270-F483 HydrophobicContact CG2-CE1 3.49Å; V270-F483 VanDerWaalsContact CG2-CE1 3.49Å; V270-F483 HydrophobicContact CG2-CZ 3.67Å
271	C	96.8	Very high	93.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	124.3	179.9	175.6	0	0	0	0	110.5	W226 C246 W273 L274	W226-C271 HydrophobicContact CD2-CB 4.21Å; W226-C271 HydrophobicContact CE3-CB 3.56Å; W226-C271 HydrophobicContact CH2-CB 3.86Å; W226-C271 HydrophobicContact CZ2-CB 4.46Å; W226-C271 HydrophobicContact CZ3-CB 3.38Å; C246-C271 HydrophobicContact CB-CB 4.14Å; C246-C271 PolarHBondContact O-N 2.92Å; C271-W273 PolarHBondContact SG-O 3.29Å; C271-W273 VanDerWaalsContact SG-O 3.33Å; C271-L274 WeakPolarHBondContact SG-CD2 3.35Å
272	C	96	Very high	93.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-22.5	173.8	60.9	0	0	0	0	112.7	M215 V270 L282 R284 M459 K478 E479	M215-C272 VanDerWaalsContact SD-O 3.37Å; V270-C272 PolarHBondContact O-N 3.34Å; C272-L282 PolarHBondContact N-O 3.34Å; C272-L282 PolarHBondContact SG-O 3.37Å; C272-L282 VanDerWaalsContact SG-O 3.33Å; C272-R284 HydrophobicContact CB-CG 4.24Å; C272-M459 HydrophobicContact CB-SD 4.41Å; C272-K478 WeakPolarHBondContact O-CE 3.48Å; C272-K478 PolarHBondContact O-NZ 2.78Å; C272-E479 VanDerWaalsContact CB-OE1 3.3Å; C272-E479 WeakPolarHBondContact CB-OE1 3.43Å
273	W	96.4	Very high	93.3	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.008	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	147.3	174.8	-174.2	85	0	0	0	112.8	M215 C271 H275 L282 I433 M459 L462 D463 Y466	M215-W273 HydrophobicContact SD-CB 4.41Å; C271-W273 PolarHBondContact SG-O 3.29Å; C271-W273 VanDerWaalsContact SG-O 3.33Å; W273-H275 HydrophobicContact CH2-CB 3.8Å; W273-H275 AromaticContact CH2-CD2 3.63Å; W273-H275 AromaticContact CH2-CG 3.94Å; W273-H275 HydrophobicContact CZ3-CB 3.64Å; W273-L282 HydrophobicContact CB-CB 4.1Å; W273-L282 HydrophobicContact CB-CD2 4.49Å; W273-L282 PolarHBondContact N-O 3.02Å; W273-L282 VanDerWaalsContact N-O 3.17Å; W273-L282 PolarHBondContact O-N 2.72Å; W273-I433 HydrophobicContact CZ3-CG2 3.87Å; W273-M459 HydrophobicContact CB-CG 3.83Å; W273-M459 HydrophobicContact CB-SD 4.29Å; W273-M459 HydrophobicContact CG-CG 4.12Å; W273-L462 HydrophobicContact CE3-CD1 4.13Å; W273-L462 HydrophobicContact CH2-CB 3.77Å; W273-L462 HydrophobicContact CH2-CD1 4.14Å; W273-L462 HydrophobicContact CH2-CD2 4.21Å; W273-L462 HydrophobicContact CH2-CG 4.26Å; W273-L462 HydrophobicContact CZ2-CB 3.77Å; W273-L462 HydrophobicContact CZ3-CB 4.34Å; W273-L462 HydrophobicContact CZ3-CD1 3.86Å; W273-L462 HydrophobicContact CZ3-CG 4.47Å; W273-D463 HydrophobicContact CZ2-CB 4.24Å; W273-D463 PolarHBondContact NE1-OD2 3.45Å; W273-D463 VanDerWaalsContact NE1-OD2 3.07Å; W273-Y466 AromaticContact CD1-CE2 3.86Å
274	L	93.2	Very high	93.3	Very high	6 Å²	6	23.9 Å²	23.9	3%	0.031	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.1	175.4	-66.9	175	0	0	0	109.8	M215 V216 W226 C271	M215-L274 HydrophobicContact CB-CB 4.45Å; V216-L274 HydrophobicContact CG2-CD1 4.04Å; W226-L274 HydrophobicContact CB-CD1 4.31Å; W226-L274 HydrophobicContact CD2-CD2 4.18Å; W226-L274 HydrophobicContact CG-CD1 4.09Å; W226-L274 HydrophobicContact CG-CD2 4.1Å; W226-L274 HydrophobicContact CZ2-CD2 4.42Å; C271-L274 WeakPolarHBondContact SG-CD2 3.35Å
275	H	90.5	Very high	93.4	Very high	34 Å²	34	22.7 Å²	22.7	16%	0.157	11%	0.109	C	C	.	.			trans	-66.8	140.4	175.4	-169.3	-80.5	0	0	0	110.5	W273 N277 G278 A280	W273-H275 HydrophobicContact CH2-CB 3.8Å; W273-H275 AromaticContact CH2-CD2 3.63Å; W273-H275 AromaticContact CH2-CG 3.94Å; W273-H275 HydrophobicContact CZ3-CB 3.64Å; H275-N277 PolarHBondContact CE1-ND2 3.42Å; H275-N277 PolarHBondContact ND1-N 3.03Å; H275-N277 VanDerWaalsContact ND1-N 3.16Å; H275-N277 PolarHBondContact ND1-ND2 3.42Å; H275-N277 VanDerWaalsContact ND1-ND2 3.2Å; H275-N277 PolarHBondContact ND1-OD1 3.38Å; H275-N277 PolarHBondContact O-N 2.91Å; H275-G278 WeakPolarHBondContact O-CA 3.18Å; H275-G278 PolarHBondContact O-N 3.14Å; H275-A280 HydrophobicContact CB-CB 4.14Å; H275-A280 WeakPolarHBondContact CB-O 3.39Å; H275-A280 PolarHBondContact N-O 2.78Å
276	P	85.3	Confident	93.4	Very high	64 Å²	64	17.2 Å²	17.2	42%	0.416	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-22.7	-179.8	-32.3	37.6	0	0	0	116.1	S218 G278	S218-P276 WeakPolarHBondContact CB-O 3.36Å; S218-P276 WeakPolarHBondContact OG-CA 3.49Å; S218-P276 WeakPolarHBondContact OG-CB 3.2Å; S218-P276 PolarHBondContact OG-O 3.45Å; P276-G278 PolarHBondContact O-N 3.45Å
277	N	77.5	Confident	93.5	Very high	67 Å²	67	12 Å²	12	36%	0.358	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-4.7	173.4	68.4	7.1	0	0	0	113.8	H275 H279	H275-N277 PolarHBondContact CE1-ND2 3.42Å; H275-N277 PolarHBondContact ND1-N 3.03Å; H275-N277 VanDerWaalsContact ND1-N 3.16Å; H275-N277 PolarHBondContact ND1-ND2 3.42Å; H275-N277 VanDerWaalsContact ND1-ND2 3.2Å; H275-N277 PolarHBondContact ND1-OD1 3.38Å; H275-N277 PolarHBondContact O-N 2.91Å; N277-H279 VanDerWaalsContact C-N 3.3Å; N277-H279 VanDerWaalsContact CG-CD2 3.45Å; N277-H279 PolarHBondContact O-CE1 3.19Å; N277-H279 PolarHBondContact O-N 2.83Å; N277-H279 PolarHBondContact O-ND1 3.31Å; N277-H279 PolarHBondContact OD1-N 3.13Å
278	G	73.1	Confident	93.5	Very high	20 Å²	20	12 Å²	12	21%	0.206	7%	0.069	C	C	.	.	S	Bend	trans	75	6.9	179.7	0	0	0	0	0	115.6	N223 H275 P276	N223-G278 PolarHBondContact ND2-O 3.48Å; H275-G278 WeakPolarHBondContact O-CA 3.18Å; H275-G278 PolarHBondContact O-N 3.14Å; P276-G278 PolarHBondContact O-N 3.45Å
279	H	80.2	Confident	93.4	Very high	49 Å²	49	13.8 Å²	13.8	23%	0.227	8%	0.082	C	C	.	.	S	Bend	trans	-97.4	-54.3	-173.1	-55.9	-35.8	0	0	0	113.4	N277 N311 K313	N277-H279 VanDerWaalsContact C-N 3.3Å; N277-H279 VanDerWaalsContact CG-CD2 3.45Å; N277-H279 PolarHBondContact O-CE1 3.19Å; N277-H279 PolarHBondContact O-N 2.83Å; N277-H279 PolarHBondContact O-ND1 3.31Å; N277-H279 PolarHBondContact OD1-N 3.13Å; H279-N311 WeakPolarHBondContact O-CA 3.46Å; H279-N311 WeakPolarHBondContact O-CB 3.49Å; H279-N311 PolarHBondContact O-ND2 2.87Å; H279-N311 PolarHBondContact O-OD1 3.3Å; H279-K313 HydrophobicContact CB-CG 4.08Å
280	A	93.3	Very high	93.3	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.008	8%	0.084	C	C	.	.			trans	-92.9	144	-176.9	0	0	0	0	0	111.5	H275 I433 T438	H275-A280 HydrophobicContact CB-CB 4.14Å; H275-A280 WeakPolarHBondContact CB-O 3.39Å; H275-A280 PolarHBondContact N-O 2.78Å; A280-I433 HydrophobicContact CB-CG2 4.12Å; A280-T438 WeakPolarHBondContact CB-O 3Å
281	S	95.3	Very high	93.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.8	176.1	64.2	0	0	0	0	111.2	W226 S439 V440	W226-S281 WeakPolarHBondContact CZ2-OG 3.22Å; S281-S439 PolarHBondContact N-OG 3.01Å; S281-S439 VanDerWaalsContact N-OG 3.11Å; S281-S439 CarbonylContact O-C 3.48Å; S281-S439 VanDerWaalsContact O-CA 3.25Å; S281-S439 WeakPolarHBondContact O-CA 3.5Å; S281-S439 WeakPolarHBondContact OG-CB 3.31Å; S281-S439 PolarHBondContact OG-OG 2.96Å; S281-S439 VanDerWaalsContact OG-OG 3.11Å; S281-V440 PolarHBondContact O-N 3.33Å
282	L	97.9	Very high	93.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122	164	-177.4	63.9	0	0	0	107.8	C272 W273 I429 I433 V440 V442 T455 A458 M459	C272-L282 PolarHBondContact N-O 3.34Å; C272-L282 PolarHBondContact SG-O 3.37Å; C272-L282 VanDerWaalsContact SG-O 3.33Å; W273-L282 HydrophobicContact CB-CB 4.1Å; W273-L282 HydrophobicContact CB-CD2 4.49Å; W273-L282 PolarHBondContact N-O 3.02Å; W273-L282 VanDerWaalsContact N-O 3.17Å; W273-L282 PolarHBondContact O-N 2.72Å; L282-I429 HydrophobicContact CD1-CG2 3.68Å; L282-I433 HydrophobicContact CB-CD1 3.92Å; L282-I433 HydrophobicContact CD1-CD1 4.02Å; L282-I433 HydrophobicContact CG-CD1 4.42Å; L282-V440 WeakPolarHBondContact CA-O 3.44Å; L282-V440 HydrophobicContact CD1-CB 4.12Å; L282-V440 HydrophobicContact CD1-CG1 4.24Å; L282-V442 HydrophobicContact CD1-CG2 3.66Å; L282-T455 HydrophobicContact CD2-CG2 4.41Å; L282-A458 HydrophobicContact CD2-CB 4.11Å; L282-M459 HydrophobicContact CD2-CG 4.02Å
283	S	98.5	Very high	93	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	155.3	177.4	-63.2	0	0	0	0	110.8	V270 V440 L441 V442	V270-S283 CarbonylContact O-C 3.5Å; V270-S283 WeakPolarHBondContact O-CA 3.27Å; V270-S283 WeakPolarHBondContact O-CB 3.28Å; S283-V440 PolarHBondContact N-O 3.38Å; S283-L441 CarbonylContact O-C 3.58Å; S283-L441 WeakPolarHBondContact O-CA 3.41Å; S283-V442 PolarHBondContact O-N 3.41Å
284	R	98.8	Very high	92.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	146.8	179	64.2	-179.9	-66.8	169.9	-1.4	112.4	Y241 P269 V270 C272 V442 G447 T451 S452 T455 E479 F483	Y241-R284 PolarHBondContact OH-O 2.84Å; Y241-R284 VanDerWaalsContact OH-O 3.14Å; P269-R284 WeakPolarHBondContact CA-O 3.17Å; V270-R284 HydrophobicContact CG2-CG 4.21Å; V270-R284 PolarHBondContact N-O 3.26Å; V270-R284 PolarHBondContact O-N 3.22Å; C272-R284 HydrophobicContact CB-CG 4.24Å; R284-V442 VanDerWaalsContact CA-O 3.3Å; R284-V442 WeakPolarHBondContact CA-O 3.35Å; R284-G447 PolarHBondContact NH2-O 3.17Å; R284-T451 HydrophobicContact CB-CG2 3.82Å; R284-S452 PolarHBondContact NH2-OG 3.01Å; R284-T455 HydrophobicContact CB-CG2 3.96Å; R284-E479 WeakPolarHBondContact CD-OE2 3.18Å; R284-E479 IonicContact CZ-OE2 2.72Å; R284-E479 IonicContact NE-OE2 3.22Å; R284-E479 PolarHBondContact NH1-O 3.27Å; R284-E479 IonicContact NH1-OE2 3.99Å; R284-E479 PolarHBondContact NH1-OE2 3.26Å; R284-F483 HydrophobicContact CG-CD1 4.39Å; R284-F483 HydrophobicContact CG-CE1 4.02Å; R284-F483 HydrophobicContact CG-CZ 4.26Å
285	S	98.8	Very high	92.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.			trans	-155.1	-178.9	177	71.3	0	0	0	0	112.7	R263 R267 V442 H443 G447	R263-S285 PolarHBondContact NH1-OG 3.35Å; R267-S285 WeakPolarHBondContact O-CA 3.39Å; R267-S285 WeakPolarHBondContact O-CB 3.4Å; S285-V442 PolarHBondContact N-O 3.05Å; S285-H443 VanDerWaalsContact O-CB 3.23Å; S285-H443 WeakPolarHBondContact O-CB 3.28Å; S285-H443 WeakPolarHBondContact OG-CB 3.19Å; S285-G447 WeakPolarHBondContact O-CA 3.2Å
286	S	98.7	Very high	93	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-91.9	172.5	157.3	63	0	0	0	0	111.9	R263 S264 R267	R263-S286 WeakPolarHBondContact CD-O 3.04Å; R263-S286 PolarHBondContact NH1-O 3.39Å; R263-S286 VanDerWaalsContact NH1-O 3.17Å; S264-S286 PolarHBondContact N-OG 3.44Å; S264-S286 VanDerWaalsContact N-OG 3.09Å; S264-S286 WeakPolarHBondContact O-CB 3.28Å; S264-S286 PolarHBondContact O-OG 3.42Å; R267-S286 PolarHBondContact O-N 3.12Å; R267-S286 PolarHBondContact O-OG 2.83Å
287	Q	98.6	Very high	93.5	Very high	10 Å²	10	40 Å²	40	5%	0.047	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-57	152.1	172.1	72.1	-172.1	-34.4	0	0	113.4	S264 N331 G337 C444 S445	S264-Q287 PolarHBondContact N-O 3.21Å; Q287-N331 PolarHBondContact NE2-OD1 3.08Å; Q287-N331 VanDerWaalsContact OE1-CB 3.29Å; Q287-G337 WeakPolarHBondContact CB-O 3.33Å; Q287-G337 PolarHBondContact OE1-O 3.27Å; Q287-C444 WeakPolarHBondContact CB-O 3.35Å; Q287-C444 PolarHBondContact N-O 2.89Å; Q287-S445 VanDerWaalsContact CG-O 3.25Å; Q287-S445 WeakPolarHBondContact CG-O 3.23Å; Q287-S445 PolarHBondContact N-O 2.82Å; Q287-S445 VanDerWaalsContact N-O 3.1Å
288	P	98.4	Very high	94.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-73.6	151	167.5	33.2	-36.9	0	0	0	111.6	F262 V290 G336 G337 E339	F262-P288 HydrophobicContact CD1-CB 4.12Å; F262-P288 HydrophobicContact CE1-CB 3.64Å; F262-P288 HydrophobicContact CZ-CB 4.29Å; P288-V290 VanDerWaalsContact C-N 3.3Å; P288-V290 HydrophobicContact CB-CG1 4.07Å; P288-V290 HydrophobicContact CG-CG1 4.09Å; P288-V290 PolarHBondContact O-N 3.22Å; P288-G336 CarbonylContact O-C 3.58Å; P288-G337 PolarHBondContact O-N 3.41Å; P288-E339 HydrophobicContact CG-CG 4.22Å
289	S	97.4	Very high	95.4	Very high	37 Å²	37	43.7 Å²	43.7	26%	0.259	22%	0.219	S	C	.	.			trans	-92.7	55.7	-178.3	-48.9	0	0	0	0	111.6	F262 G335	F262-S289 WeakPolarHBondContact O-CB 3.07Å; F262-S289 PolarHBondContact O-N 2.8Å; F262-S289 PolarHBondContact O-OG 2.9Å; S289-G335 CarbonylContact C-O 3.56Å; S289-G335 VanDerWaalsContact CA-O 3.31Å; S289-G335 WeakPolarHBondContact CA-O 3.39Å
290	V	97	Very high	96.3	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.055	21%	0.209	C	C	.	.			trans	-71.2	-37	-176.8	-61	0	0	0	0	112	F262 P288 S294 R295 K332 G336	F262-V290 HydrophobicContact CE1-CG1 4.42Å; F262-V290 HydrophobicContact CZ-CG1 3.85Å; P288-V290 VanDerWaalsContact C-N 3.3Å; P288-V290 HydrophobicContact CB-CG1 4.07Å; P288-V290 HydrophobicContact CG-CG1 4.09Å; P288-V290 PolarHBondContact O-N 3.22Å; V290-S294 CarbonylContact O-C 3.41Å; V290-S294 WeakPolarHBondContact O-CA 3.46Å; V290-S294 PolarHBondContact O-N 2.86Å; V290-R295 WeakPolarHBondContact O-CB 3.5Å; V290-R295 PolarHBondContact O-N 3.38Å; V290-K332 HydrophobicContact CG2-CD 4.48Å; V290-K332 HydrophobicContact CG2-CG 4.18Å; V290-G336 WeakPolarHBondContact CG2-O 3.38Å; V290-G336 PolarHBondContact N-O 3.44Å
291	G	95.3	Very high	96.5	Very high	8 Å²	8	42.7 Å²	42.7	8%	0.082	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-171.9	-176.7	0	0	0	0	0	114.9	I293 S294 K332 G335 G336	G291-I293 VanDerWaalsContact C-N 3.33Å; G291-I293 PolarHBondContact O-N 2.9Å; G291-S294 PolarHBondContact O-N 3.27Å; G291-K332 CarbonylContact C-O 3.49Å; G291-K332 VanDerWaalsContact C-O 3.29Å; G291-K332 WeakPolarHBondContact CA-O 3.12Å; G291-K332 WeakPolarHBondContact O-CE 3.22Å; G291-K332 VanDerWaalsContact O-CG 3.25Å; G291-K332 WeakPolarHBondContact O-CG 3.35Å; G291-G335 PolarHBondContact N-O 3.38Å; G291-G336 PolarHBondContact N-O 3.23Å
292	V	94.5	Very high	96.6	Very high	106 Å²	106	47.2 Å²	47.2	64%	0.642	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-41.4	-179.6	178.8	0	0	0	0	111.5	S294 K332	V292-S294 PolarHBondContact O-N 3.43Å; V292-S294 VanDerWaalsContact O-N 3.11Å; V292-K332 PolarHBondContact N-O 3.41Å
293	I	93.3	Very high	96.6	Very high	125 Å²	125	47.4 Å²	47.4	64%	0.641	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	1.9	-179	73.5	177.8	0	0	0	113.5	G291 R295	G291-I293 VanDerWaalsContact C-N 3.33Å; G291-I293 PolarHBondContact O-N 2.9Å; I293-R295 VanDerWaalsContact C-N 3.34Å; I293-R295 HydrophobicContact CD1-CG 3.56Å; I293-R295 VanDerWaalsContact CD1-NE 3.33Å; I293-R295 HydrophobicContact CG1-CG 3.41Å; I293-R295 VanDerWaalsContact CG1-CG 3.41Å; I293-R295 PolarHBondContact O-N 2.85Å
294	S	92.8	Very high	96.5	Very high	55 Å²	55	47.6 Å²	47.6	39%	0.385	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	48.4	-179.9	-50.8	0	0	0	0	112.6	V290 G291 V292 R296 K332	V290-S294 CarbonylContact O-C 3.41Å; V290-S294 WeakPolarHBondContact O-CA 3.46Å; V290-S294 PolarHBondContact O-N 2.86Å; G291-S294 PolarHBondContact O-N 3.27Å; V292-S294 PolarHBondContact O-N 3.43Å; V292-S294 VanDerWaalsContact O-N 3.11Å; S294-R296 PolarHBondContact O-N 3.43Å; S294-K332 VanDerWaalsContact OG-CE 3.28Å; S294-K332 WeakPolarHBondContact OG-CE 3.32Å; S294-K332 PolarHBondContact OG-NZ 3.39Å
295	R	94	Very high	96.5	Very high	163 Å²	163	51.4 Å²	51.4	62%	0.615	26%	0.258	S	S	*	.			trans	-50.9	137.6	175.6	-65.4	-174.6	-177.9	170.2	-0.8	109.8	F262 V290 I293	F262-R295 HydrophobicContact CE2-CB 4.33Å; F262-R295 WeakPolarHBondContact CZ-O 3.15Å; V290-R295 WeakPolarHBondContact O-CB 3.5Å; V290-R295 PolarHBondContact O-N 3.38Å; I293-R295 VanDerWaalsContact C-N 3.34Å; I293-R295 HydrophobicContact CD1-CG 3.56Å; I293-R295 VanDerWaalsContact CD1-NE 3.33Å; I293-R295 HydrophobicContact CG1-CG 3.41Å; I293-R295 VanDerWaalsContact CG1-CG 3.41Å; I293-R295 PolarHBondContact O-N 2.85Å
296	R	94.8	Very high	96.4	Very high	151 Å²	151	52.5 Å²	52.5	57%	0.57	27%	0.265	S	S	*	.			trans	-106	154.8	173.9	-72.1	-175.2	67.5	171.7	2.7	110	S294 E301 A343	S294-R296 PolarHBondContact O-N 3.43Å; R296-E301 VanDerWaalsContact CB-OE1 3.29Å; R296-E301 WeakPolarHBondContact CB-OE1 3.21Å; R296-E301 IonicContact CZ-OE1 3.62Å; R296-E301 IonicContact CZ-OE2 3.44Å; R296-E301 IonicContact NE-OE1 3.95Å; R296-E301 PolarHBondContact NE-OE1 2.98Å; R296-E301 IonicContact NE-OE2 2.76Å; R296-E301 IonicContact NH2-OE1 2.97Å; R296-E301 PolarHBondContact NH2-OE1 2.81Å; R296-E301 IonicContact NH2-OE2 3.31Å; R296-E301 PolarHBondContact NH2-OE2 3.5Å; R296-A343 HydrophobicContact CG-CB 4.24Å
297	N	95.4	Very high	96.3	Very high	40 Å²	40	52.5 Å²	52.5	21%	0.214	27%	0.265	C	S	.	.			trans	-137.1	107.8	174.3	-175.5	-73.2	0	0	0	108.9	F262 G299 D300 E301	F262-N297 HydrophobicContact CB-CB 3.9Å; F262-N297 HydrophobicContact CD1-CB 3.55Å; F262-N297 HydrophobicContact CD2-CB 3.55Å; F262-N297 HydrophobicContact CE1-CB 3.84Å; F262-N297 HydrophobicContact CE2-CB 3.85Å; F262-N297 HydrophobicContact CG-CB 3.37Å; F262-N297 HydrophobicContact CZ-CB 3.97Å; N297-G299 PolarHBondContact O-N 3.36Å; N297-G299 WeakPolarHBondContact OD1-CA 3.49Å; N297-G299 PolarHBondContact OD1-N 2.87Å; N297-D300 HydrophobicContact CB-CB 4.08Å; N297-D300 PolarHBondContact O-N 3.47Å; N297-D300 VanDerWaalsContact O-N 3.12Å; N297-D300 PolarHBondContact OD1-N 3.14Å; N297-E301 WeakPolarHBondContact O-CG 3.29Å; N297-E301 PolarHBondContact O-N 3.47Å
298	H	95.2	Very high	96.2	Very high	144 Å²	144	52.3 Å²	52.3	67%	0.667	26%	0.264	S	S	*	.	H	α-helix	trans	-58.8	-33.1	-177.5	-174.6	64.9	0	0	0	112.8	L302	H298-L302 VanDerWaalsContact O-CB 3.25Å; H298-L302 WeakPolarHBondContact O-CB 3.39Å; H298-L302 PolarHBondContact O-N 2.8Å
299	G	95.8	Very high	96	Very high	19 Å²	19	54 Å²	54	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-45.3	175.5	0	0	0	0	0	112.9	N297 Y303	N297-G299 PolarHBondContact O-N 3.36Å; N297-G299 WeakPolarHBondContact OD1-CA 3.49Å; N297-G299 PolarHBondContact OD1-N 2.87Å; G299-Y303 WeakPolarHBondContact O-CB 3.33Å; G299-Y303 PolarHBondContact O-N 3.1Å
300	D	97.9	Very high	95.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.3	-42	176.1	-170.5	-95.7	0	0	0	111.8	V259 F262 R263 N297 Y303 L304 Y344	V259-D300 HydrophobicContact CG1-CB 4.44Å; V259-D300 WeakPolarHBondContact CG1-OD2 3.06Å; F262-D300 HydrophobicContact CD1-CB 3.68Å; F262-D300 HydrophobicContact CE1-CB 4.33Å; F262-D300 HydrophobicContact CG-CB 4.47Å; R263-D300 IonicContact CZ-OD1 3.71Å; R263-D300 IonicContact CZ-OD2 3.1Å; R263-D300 IonicContact NE-OD1 3.8Å; R263-D300 IonicContact NE-OD2 2.77Å; R263-D300 PolarHBondContact NE-OD2 3.42Å; R263-D300 IonicContact NH2-OD1 3.94Å; R263-D300 PolarHBondContact NH2-OD1 3.34Å; R263-D300 IonicContact NH2-OD2 2.93Å; R263-D300 PolarHBondContact NH2-OD2 3.23Å; N297-D300 HydrophobicContact CB-CB 4.08Å; N297-D300 PolarHBondContact O-N 3.47Å; N297-D300 VanDerWaalsContact O-N 3.12Å; N297-D300 PolarHBondContact OD1-N 3.14Å; D300-Y303 PolarHBondContact O-N 3.25Å; D300-L304 PolarHBondContact O-N 2.72Å; D300-Y344 WeakPolarHBondContact OD1-CE1 3.29Å; D300-Y344 PolarHBondContact OD1-OH 3.17Å
301	E	97.6	Very high	95.6	Very high	29 Å²	29	52.1 Å²	52.1	14%	0.136	27%	0.268	C	S	.	.	H	α-helix	trans	-60.5	-50.2	175.8	-69.1	171.6	-157.4	0	0	111.6	R296 N297 Y303 L304 Q305 Y344	R296-E301 VanDerWaalsContact CB-OE1 3.29Å; R296-E301 WeakPolarHBondContact CB-OE1 3.21Å; R296-E301 IonicContact CZ-OE1 3.62Å; R296-E301 IonicContact CZ-OE2 3.44Å; R296-E301 IonicContact NE-OE1 3.95Å; R296-E301 PolarHBondContact NE-OE1 2.98Å; R296-E301 IonicContact NE-OE2 2.76Å; R296-E301 IonicContact NH2-OE1 2.97Å; R296-E301 PolarHBondContact NH2-OE1 2.81Å; R296-E301 IonicContact NH2-OE2 3.31Å; R296-E301 PolarHBondContact NH2-OE2 3.5Å; N297-E301 WeakPolarHBondContact O-CG 3.29Å; N297-E301 PolarHBondContact O-N 3.47Å; E301-Y303 VanDerWaalsContact C-N 3.31Å; E301-Y303 PolarHBondContact O-N 3.37Å; E301-L304 PolarHBondContact O-N 3.19Å; E301-Q305 PolarHBondContact O-N 2.83Å; E301-Y344 HydrophobicContact CB-CE1 4.39Å; E301-Y344 HydrophobicContact CG-CD1 4.25Å; E301-Y344 HydrophobicContact CG-CE1 3.82Å
302	L	97	Very high	95.3	Very high	96 Å²	96	60.5 Å²	60.5	50%	0.503	30%	0.297	S	S	.	.	H	α-helix	trans	-61	-41.7	175.9	-179.3	60.3	0	0	0	111	H298 Q305 T306	H298-L302 VanDerWaalsContact O-CB 3.25Å; H298-L302 WeakPolarHBondContact O-CB 3.39Å; H298-L302 PolarHBondContact O-N 2.8Å; L302-Q305 CarbonylContact O-C 3.11Å; L302-Q305 WeakPolarHBondContact O-CA 3.24Å; L302-Q305 WeakPolarHBondContact O-CB 3.33Å; L302-Q305 PolarHBondContact O-N 3.18Å; L302-Q305 VanDerWaalsContact O-N 3.15Å; L302-T306 PolarHBondContact O-N 2.84Å; L302-T306 PolarHBondContact O-OG1 2.85Å
303	Y	98.2	Very high	95.2	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-44.1	179.4	-175.4	-107.8	0	0	0	113	P248 T251 L256 V259 P269 G299 D300 E301 Q305 T306 I307	P248-Y303 WeakPolarHBondContact CD-OH 3.41Å; P248-Y303 HydrophobicContact CG-CE2 4.17Å; T251-Y303 HydrophobicContact CG2-CD2 3.59Å; T251-Y303 HydrophobicContact CG2-CE2 3.77Å; T251-Y303 WeakPolarHBondContact OG1-CD2 3.47Å; L256-Y303 HydrophobicContact CD2-CD2 4.27Å; L256-Y303 HydrophobicContact CD2-CE2 3.47Å; L256-Y303 VanDerWaalsContact CD2-CE2 3.47Å; V259-Y303 HydrophobicContact CG1-CD1 3.87Å; V259-Y303 HydrophobicContact CG1-CE1 4.36Å; V259-Y303 HydrophobicContact CG1-CG 4.26Å; V259-Y303 HydrophobicContact CG2-CD1 4.26Å; V259-Y303 HydrophobicContact CG2-CD2 4.24Å; V259-Y303 HydrophobicContact CG2-CG 3.8Å; P269-Y303 HydrophobicContact CB-CD1 4.47Å; P269-Y303 HydrophobicContact CB-CE1 3.89Å; P269-Y303 HydrophobicContact CG-CD1 4.32Å; P269-Y303 HydrophobicContact CG-CE1 4.15Å; P269-Y303 WeakPolarHBondContact O-CE1 3.34Å; P269-Y303 PolarHBondContact O-OH 3.01Å; G299-Y303 WeakPolarHBondContact O-CB 3.33Å; G299-Y303 PolarHBondContact O-N 3.1Å; D300-Y303 PolarHBondContact O-N 3.25Å; E301-Y303 VanDerWaalsContact C-N 3.31Å; E301-Y303 PolarHBondContact O-N 3.37Å; Y303-Q305 VanDerWaalsContact C-N 3.29Å; Y303-Q305 PolarHBondContact O-N 3.27Å; Y303-T306 WeakPolarHBondContact O-CB 3.01Å; Y303-T306 PolarHBondContact O-N 2.86Å; Y303-T306 VanDerWaalsContact O-N 3.17Å; Y303-I307 HydrophobicContact CD1-CD1 4.16Å; Y303-I307 HydrophobicContact CE1-CD1 3.8Å; Y303-I307 HydrophobicContact CE1-CG1 4.48Å; Y303-I307 PolarHBondContact O-N 2.81Å
304	L	98	Very high	95.2	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-35.1	173.8	-66.9	-162.1	0	0	0	111.7	P269 D300 E301 T306 I307 I308 L317 I319 E339 Y344 L441	P269-L304 HydrophobicContact CB-CD2 4.27Å; P269-L304 HydrophobicContact CG-CD2 3.84Å; D300-L304 PolarHBondContact O-N 2.72Å; E301-L304 PolarHBondContact O-N 3.19Å; L304-T306 VanDerWaalsContact C-N 3.32Å; L304-T306 PolarHBondContact O-N 3.32Å; L304-I307 HydrophobicContact CD2-CD1 4Å; L304-I307 WeakPolarHBondContact O-CB 3.41Å; L304-I307 PolarHBondContact O-N 3.31Å; L304-I308 WeakPolarHBondContact O-CG1 3.12Å; L304-I308 PolarHBondContact O-N 2.76Å; L304-L317 HydrophobicContact CB-CD2 4.29Å; L304-L317 HydrophobicContact CD1-CD2 4.27Å; L304-L317 HydrophobicContact CD2-CD2 4.27Å; L304-I319 HydrophobicContact CD1-CD1 4.01Å; L304-E339 HydrophobicContact CD1-CG 4.35Å; L304-Y344 HydrophobicContact CB-CD1 4.41Å; L304-Y344 HydrophobicContact CD1-CD1 3.62Å; L304-Y344 HydrophobicContact CD1-CE1 3.54Å; L304-Y344 HydrophobicContact CG-CD1 4.38Å; L304-Y344 HydrophobicContact CG-CE1 4.15Å; L304-L441 HydrophobicContact CD1-CD2 4.3Å; L304-L441 HydrophobicContact CD2-CD2 3.82Å
305	Q	97	Very high	95.2	Very high	80 Å²	80	62.6 Å²	62.6	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-64.8	-35.9	172.6	-169.4	62.4	24.6	0	0	112	E301 L302 Y303 I308 G309 N346	E301-Q305 PolarHBondContact O-N 2.83Å; L302-Q305 CarbonylContact O-C 3.11Å; L302-Q305 WeakPolarHBondContact O-CA 3.24Å; L302-Q305 WeakPolarHBondContact O-CB 3.33Å; L302-Q305 PolarHBondContact O-N 3.18Å; L302-Q305 VanDerWaalsContact O-N 3.15Å; Y303-Q305 VanDerWaalsContact C-N 3.29Å; Y303-Q305 PolarHBondContact O-N 3.27Å; Q305-I308 WeakPolarHBondContact O-CB 3.44Å; Q305-I308 PolarHBondContact O-N 3.37Å; Q305-G309 PolarHBondContact O-N 3.2Å; Q305-N346 PolarHBondContact NE2-ND2 3.13Å; Q305-N346 PolarHBondContact OE1-ND2 3.48Å
306	T	96.9	Very high	95.3	Very high	24 Å²	24	60.5 Å²	60.5	15%	0.147	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-40.9	172.4	-50.9	0	0	0	0	111.6	P248 L250 L302 Y303 L304 I308 G309 T310	P248-T306 HydrophobicContact CB-CG2 3.54Å; P248-T306 HydrophobicContact CG-CG2 4.16Å; L250-T306 HydrophobicContact CB-CG2 3.87Å; L250-T306 HydrophobicContact CD1-CG2 4.43Å; L302-T306 PolarHBondContact O-N 2.84Å; L302-T306 PolarHBondContact O-OG1 2.85Å; Y303-T306 WeakPolarHBondContact O-CB 3.01Å; Y303-T306 PolarHBondContact O-N 2.86Å; Y303-T306 VanDerWaalsContact O-N 3.17Å; L304-T306 VanDerWaalsContact C-N 3.32Å; L304-T306 PolarHBondContact O-N 3.32Å; T306-I308 VanDerWaalsContact C-N 3.33Å; T306-I308 PolarHBondContact O-N 2.89Å; T306-G309 WeakPolarHBondContact O-CA 3.47Å; T306-G309 PolarHBondContact O-N 3.14Å; T306-G309 VanDerWaalsContact O-N 3.11Å; T306-T310 WeakPolarHBondContact O-CG2 3.44Å; T306-T310 PolarHBondContact O-N 3.24Å; T306-T310 VanDerWaalsContact O-N 3.16Å
307	I	96.8	Very high	95.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-45.1	173.2	-67.6	175.5	0	0	0	110.5	W226 P248 P269 Y303 L304 G309 T310 L317	W226-I307 HydrophobicContact CH2-CG1 4.1Å; W226-I307 HydrophobicContact CH2-CG2 4.18Å; P248-I307 HydrophobicContact CG-CG1 3.77Å; P269-I307 HydrophobicContact CB-CD1 4.04Å; Y303-I307 HydrophobicContact CD1-CD1 4.16Å; Y303-I307 HydrophobicContact CE1-CD1 3.8Å; Y303-I307 HydrophobicContact CE1-CG1 4.48Å; Y303-I307 PolarHBondContact O-N 2.81Å; L304-I307 HydrophobicContact CD2-CD1 4Å; L304-I307 WeakPolarHBondContact O-CB 3.41Å; L304-I307 PolarHBondContact O-N 3.31Å; I307-G309 VanDerWaalsContact C-N 3.27Å; I307-G309 PolarHBondContact O-N 3.27Å; I307-T310 WeakPolarHBondContact O-CB 3.34Å; I307-T310 PolarHBondContact O-N 2.92Å; I307-T310 VanDerWaalsContact O-N 3.15Å; I307-T310 PolarHBondContact O-OG1 3.28Å; I307-L317 HydrophobicContact CG2-CD1 4.2Å
308	I	96.6	Very high	95.6	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-57.1	-44.2	173.7	-69.7	164.2	0	0	0	110.5	L304 Q305 T306 T310 N311 R315 L317 N346	L304-I308 WeakPolarHBondContact O-CG1 3.12Å; L304-I308 PolarHBondContact O-N 2.76Å; Q305-I308 WeakPolarHBondContact O-CB 3.44Å; Q305-I308 PolarHBondContact O-N 3.37Å; T306-I308 VanDerWaalsContact C-N 3.33Å; T306-I308 PolarHBondContact O-N 2.89Å; I308-T310 PolarHBondContact O-N 2.85Å; I308-N311 PolarHBondContact O-N 3.02Å; I308-N311 VanDerWaalsContact O-N 3.12Å; I308-R315 HydrophobicContact CG2-CB 4.49Å; I308-R315 VanDerWaalsContact CG2-O 3.28Å; I308-R315 WeakPolarHBondContact CG2-O 3.29Å; I308-L317 HydrophobicContact CD1-CB 3.82Å; I308-L317 HydrophobicContact CG1-CB 3.5Å; I308-L317 VanDerWaalsContact CG1-CB 3.5Å; I308-N346 HydrophobicContact CD1-CB 3.59Å
309	G	94.8	Very high	95.7	Very high	35 Å²	35	45.6 Å²	45.6	36%	0.361	22%	0.215	S	C	.	.	H	α-helix	trans	-60.8	-22.1	178.6	0	0	0	0	0	115.1	Q305 T306 I307 N311	Q305-G309 PolarHBondContact O-N 3.2Å; T306-G309 WeakPolarHBondContact O-CA 3.47Å; T306-G309 PolarHBondContact O-N 3.14Å; T306-G309 VanDerWaalsContact O-N 3.11Å; I307-G309 VanDerWaalsContact C-N 3.27Å; I307-G309 PolarHBondContact O-N 3.27Å; G309-N311 VanDerWaalsContact C-N 3.27Å; G309-N311 PolarHBondContact O-N 3.09Å
310	T	93.4	Very high	95.8	Very high	6 Å²	6	44.8 Å²	44.8	4%	0.037	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.4	176.6	71.6	0	0	0	0	113.1	N225 W226 P248 T306 I307 I308	N225-T310 HydrophobicContact CB-CG2 4Å; N225-T310 PolarHBondContact ND2-O 2.99Å; N225-T310 VanDerWaalsContact ND2-O 3.17Å; W226-T310 HydrophobicContact CZ2-CG2 3.87Å; W226-T310 WeakPolarHBondContact CZ2-OG1 3.49Å; P248-T310 HydrophobicContact CB-CG2 4.2Å; P248-T310 HydrophobicContact CG-CG2 4.44Å; T306-T310 WeakPolarHBondContact O-CG2 3.44Å; T306-T310 PolarHBondContact O-N 3.24Å; T306-T310 VanDerWaalsContact O-N 3.16Å; I307-T310 WeakPolarHBondContact O-CB 3.34Å; I307-T310 PolarHBondContact O-N 2.92Å; I307-T310 VanDerWaalsContact O-N 3.15Å; I307-T310 PolarHBondContact O-OG1 3.28Å; I308-T310 PolarHBondContact O-N 2.85Å
311	N	93.5	Very high	95.9	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	21%	0.206	C	C	.	.			trans	-97.1	112.8	179.2	-171.8	-20.7	0	0	0	110.8	H279 I308 G309 K313 S314 S437 S439	H279-N311 WeakPolarHBondContact O-CA 3.46Å; H279-N311 WeakPolarHBondContact O-CB 3.49Å; H279-N311 PolarHBondContact O-ND2 2.87Å; H279-N311 PolarHBondContact O-OD1 3.3Å; I308-N311 PolarHBondContact O-N 3.02Å; I308-N311 VanDerWaalsContact O-N 3.12Å; G309-N311 VanDerWaalsContact C-N 3.27Å; G309-N311 PolarHBondContact O-N 3.09Å; N311-K313 VanDerWaalsContact C-N 3.34Å; N311-K313 PolarHBondContact OD1-N 3.3Å; N311-S314 PolarHBondContact OD1-N 2.82Å; N311-S437 PolarHBondContact ND2-O 3.14Å; N311-S439 PolarHBondContact ND2-N 3.22Å
312	R	88.9	Confident	95.9	Very high	184 Å²	184	43.4 Å²	43.4	69%	0.694	20%	0.199	S	C	*	.	S	Bend	trans	-77.1	-17.6	179.9	-63.9	-175.7	-179.2	173.3	1.7	113.8
313	K	91.6	Very high	96	Very high	145 Å²	145	38.8 Å²	38.8	63%	0.63	18%	0.175	S	C	*	.	S	Bend	trans	-93.9	-29.9	-175.2	-68.1	-69.5	-173.4	176.2	0	113.1	H279 N311	H279-K313 HydrophobicContact CB-CG 4.08Å; N311-K313 VanDerWaalsContact C-N 3.34Å; N311-K313 PolarHBondContact OD1-N 3.3Å
314	S	92.8	Very high	95.9	Very high	19 Å²	19	39 Å²	39	13%	0.133	18%	0.177	C	C	.	.			trans	-133.6	135	180	179.5	0	0	0	0	111.3	N311 K316 T438	N311-S314 PolarHBondContact OD1-N 2.82Å; S314-K316 VanDerWaalsContact C-N 3.35Å; S314-K316 PolarHBondContact OG-N 3.24Å; S314-K316 VanDerWaalsContact OG-N 3.14Å; S314-K316 PolarHBondContact OG-O 3.07Å; S314-T438 WeakPolarHBondContact OG-CG2 3.5Å
315	R	93.7	Very high	95.8	Very high	167 Å²	167	40.2 Å²	40.2	63%	0.63	19%	0.187	S	C	*	.	S	Bend	trans	-96.4	14.4	172.1	-61.1	-59.8	-169.6	162.4	3.2	112.9	I308	I308-R315 HydrophobicContact CG2-CB 4.49Å; I308-R315 VanDerWaalsContact CG2-O 3.28Å; I308-R315 WeakPolarHBondContact CG2-O 3.29Å
316	K	95.1	Very high	95.7	Very high	118 Å²	118	43.1 Å²	43.1	51%	0.513	20%	0.203	S	C	.	.			trans	-112.9	139.2	174.8	-68.3	-170.7	172.8	-167.9	0	111	S314 N346	S314-K316 VanDerWaalsContact C-N 3.35Å; S314-K316 PolarHBondContact OG-N 3.24Å; S314-K316 VanDerWaalsContact OG-N 3.14Å; S314-K316 PolarHBondContact OG-O 3.07Å; K316-N346 WeakPolarHBondContact CA-O 3.46Å
317	L	97.6	Very high	95.7	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.8	167.2	176.7	67.7	0	0	0	109.1	L304 I307 I308 I319 N346 A347 E348 L441	L304-L317 HydrophobicContact CB-CD2 4.29Å; L304-L317 HydrophobicContact CD1-CD2 4.27Å; L304-L317 HydrophobicContact CD2-CD2 4.27Å; I307-L317 HydrophobicContact CG2-CD1 4.2Å; I308-L317 HydrophobicContact CD1-CB 3.82Å; I308-L317 HydrophobicContact CG1-CB 3.5Å; I308-L317 VanDerWaalsContact CG1-CB 3.5Å; L317-I319 HydrophobicContact CD2-CD1 4.48Å; L317-I319 HydrophobicContact CD2-CG1 4.15Å; L317-I319 HydrophobicContact CG-CG1 4.23Å; L317-N346 PolarHBondContact N-O 3.21Å; L317-A347 HydrophobicContact CB-CB 4.48Å; L317-A347 CarbonylContact O-C 3.5Å; L317-A347 WeakPolarHBondContact O-CA 3.44Å; L317-E348 PolarHBondContact O-N 3.45Å; L317-L441 HydrophobicContact CD1-CB 4.2Å; L317-L441 HydrophobicContact CD2-CB 4.29Å; L317-L441 HydrophobicContact CG-CB 4.45Å
318	Y	98.3	Very high	95.7	Very high	21 Å²	21	43.9 Å²	43.9	8%	0.082	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128	167	-79.1	-93.8	0	0	0	109.6	M320 E348 V350 K432 T438 S439 V440 L441	Y318-M320 HydrophobicContact CD1-CE 4.27Å; Y318-M320 HydrophobicContact CG-CE 4.45Å; Y318-E348 WeakPolarHBondContact CA-O 3.37Å; Y318-E348 HydrophobicContact CD1-CB 4.07Å; Y318-E348 HydrophobicContact CD1-CG 4.31Å; Y318-E348 HydrophobicContact CE1-CB 4.15Å; Y318-E348 VanDerWaalsContact CE1-CD 3.45Å; Y318-E348 HydrophobicContact CE1-CG 4.09Å; Y318-E348 WeakPolarHBondContact CE1-OE1 3.33Å; Y318-V350 HydrophobicContact CD1-CG2 4.21Å; Y318-K432 HydrophobicContact CD1-CD 4.24Å; Y318-K432 HydrophobicContact CD1-CG 4.26Å; Y318-K432 HydrophobicContact CD2-CB 4.45Å; Y318-K432 HydrophobicContact CD2-CD 4.29Å; Y318-K432 HydrophobicContact CD2-CG 4.34Å; Y318-K432 HydrophobicContact CE1-CD 3.91Å; Y318-K432 VanDerWaalsContact CE1-CE 3.45Å; Y318-K432 HydrophobicContact CE1-CG 4.43Å; Y318-K432 HydrophobicContact CE2-CD 3.98Å; Y318-K432 HydrophobicContact CG-CD 4.4Å; Y318-K432 HydrophobicContact CG-CG 4.19Å; Y318-K432 PolarHBondContact OH-NZ 2.59Å; Y318-K432 VanDerWaalsContact OH-NZ 3.07Å; Y318-T438 HydrophobicContact CD2-CG2 4.18Å; Y318-T438 WeakPolarHBondContact CD2-OG1 3.45Å; Y318-T438 HydrophobicContact CE2-CG2 3.89Å; Y318-S439 PolarHBondContact N-O 3.22Å; Y318-V440 CarbonylContact O-C 3.58Å; Y318-V440 VanDerWaalsContact O-CA 3.3Å; Y318-V440 WeakPolarHBondContact O-CA 3.5Å; Y318-L441 PolarHBondContact O-N 2.83Å
319	I	98.6	Very high	95.7	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	111.1	173.1	-57.7	-178.4	0	0	0	107.5	L304 L317 E339 A347 E348 L349 V350 L441 H443	L304-I319 HydrophobicContact CD1-CD1 4.01Å; L317-I319 HydrophobicContact CD2-CD1 4.48Å; L317-I319 HydrophobicContact CD2-CG1 4.15Å; L317-I319 HydrophobicContact CG-CG1 4.23Å; I319-E339 HydrophobicContact CD1-CB 3.69Å; I319-E339 HydrophobicContact CD1-CG 3.64Å; I319-A347 HydrophobicContact CD1-CB 3.65Å; I319-A347 HydrophobicContact CG1-CB 4.07Å; I319-E348 PolarHBondContact N-O 3.18Å; I319-L349 HydrophobicContact CB-CD1 3.95Å; I319-L349 HydrophobicContact CG2-CD1 3.64Å; I319-L349 CarbonylContact O-C 3.38Å; I319-L349 WeakPolarHBondContact O-CA 3.41Å; I319-V350 PolarHBondContact O-N 3.16Å; I319-L441 CarbonylContact C-O 3.5Å; I319-L441 WeakPolarHBondContact CA-O 3.45Å; I319-L441 HydrophobicContact CG1-CB 4.36Å; I319-L441 HydrophobicContact CG1-CD2 4.45Å; I319-H443 VanDerWaalsContact CG2-CD2 3.46Å; I319-H443 WeakPolarHBondContact CG2-CD2 3.44Å; I319-H443 WeakPolarHBondContact CG2-NE2 3.48Å
320	M	98.5	Very high	95.8	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	92.5	-178.3	-63.4	-73.6	-174	0	0	108.8	Y318 A322 V350 L352 I429 K432 V440 L441 V442 H443	Y318-M320 HydrophobicContact CD1-CE 4.27Å; Y318-M320 HydrophobicContact CG-CE 4.45Å; M320-A322 PolarHBondContact O-N 2.79Å; M320-V350 HydrophobicContact SD-CB 3.74Å; M320-V350 HydrophobicContact SD-CG1 3.98Å; M320-V350 HydrophobicContact SD-CG2 4.29Å; M320-L352 HydrophobicContact CB-CD1 4.09Å; M320-L352 HydrophobicContact SD-CD2 4.01Å; M320-I429 HydrophobicContact CB-CG1 4.27Å; M320-I429 HydrophobicContact CG-CG1 3.96Å; M320-K432 HydrophobicContact CE-CB 4.22Å; M320-K432 HydrophobicContact CE-CG 3.42Å; M320-K432 VanDerWaalsContact CE-CG 3.42Å; M320-V440 HydrophobicContact CB-CG1 4.17Å; M320-V440 HydrophobicContact CG-CG1 3.47Å; M320-V440 VanDerWaalsContact CG-CG1 3.47Å; M320-L441 PolarHBondContact N-O 2.98Å; M320-V442 HydrophobicContact CB-CG2 4.36Å; M320-H443 PolarHBondContact O-N 3.36Å
321	D	98.6	Very high	95.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	115.4	173.5	-171.9	-22.7	0	0	0	108.9	R323 L349 V350 F351 L352 H443	D321-R323 PolarHBondContact O-N 3.19Å; D321-R323 VanDerWaalsContact OD1-CB 3.3Å; D321-R323 WeakPolarHBondContact OD1-CB 3.48Å; D321-R323 VanDerWaalsContact OD1-CG 3.26Å; D321-R323 WeakPolarHBondContact OD1-CG 3.2Å; D321-R323 IonicContact OD1-CZ 2.76Å; D321-R323 PolarHBondContact OD1-N 3.19Å; D321-R323 IonicContact OD1-NE 3.78Å; D321-R323 PolarHBondContact OD1-NE 3Å; D321-R323 IonicContact OD1-NH2 3.25Å; D321-R323 IonicContact OD2-CZ 2.75Å; D321-R323 VanDerWaalsContact OD2-CZ 3.26Å; D321-R323 IonicContact OD2-NE 3.82Å; D321-R323 PolarHBondContact OD2-NE 3.15Å; D321-R323 IonicContact OD2-NH2 3.44Å; D321-R323 PolarHBondContact OD2-NH2 3.39Å; D321-L349 HydrophobicContact CB-CD1 3.99Å; D321-V350 PolarHBondContact N-O 3.05Å; D321-F351 HydrophobicContact CB-CD1 3.78Å; D321-F351 HydrophobicContact CB-CE1 3.93Å; D321-F351 CarbonylContact O-C 3.55Å; D321-F351 WeakPolarHBondContact O-CA 3.45Å; D321-L352 PolarHBondContact O-N 3.46Å; D321-H443 IonicContact OD2-CE1 2.8Å; D321-H443 PolarHBondContact OD2-CE1 3.48Å
322	A	98.3	Very high	96.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	25%	0.253	C	S	.	.			trans	-61	-21.4	-177.5	0	0	0	0	0	113.3	M320 I354 H443 C444 R450 L454	M320-A322 PolarHBondContact O-N 2.79Å; A322-I354 HydrophobicContact CB-CD1 4.32Å; A322-I354 WeakPolarHBondContact O-CA 3.25Å; A322-I354 WeakPolarHBondContact O-CB 3.35Å; A322-I354 PolarHBondContact O-N 3.06Å; A322-H443 PolarHBondContact N-O 3.08Å; A322-C444 HydrophobicContact CB-CB 3.83Å; A322-R450 HydrophobicContact CB-CB 3.61Å; A322-R450 HydrophobicContact CB-CG 4.41Å; A322-L454 HydrophobicContact CB-CD1 3.63Å
323	R	97.8	Very high	96.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-78.8	157	-170.6	-60	174	-67.3	-177.2	3.4	112.1	D321 N327 N331 G337 F351 C444 S445	D321-R323 PolarHBondContact O-N 3.19Å; D321-R323 VanDerWaalsContact OD1-CB 3.3Å; D321-R323 WeakPolarHBondContact OD1-CB 3.48Å; D321-R323 VanDerWaalsContact OD1-CG 3.26Å; D321-R323 WeakPolarHBondContact OD1-CG 3.2Å; D321-R323 IonicContact OD1-CZ 2.76Å; D321-R323 PolarHBondContact OD1-N 3.19Å; D321-R323 IonicContact OD1-NE 3.78Å; D321-R323 PolarHBondContact OD1-NE 3Å; D321-R323 IonicContact OD1-NH2 3.25Å; D321-R323 IonicContact OD2-CZ 2.75Å; D321-R323 VanDerWaalsContact OD2-CZ 3.26Å; D321-R323 IonicContact OD2-NE 3.82Å; D321-R323 PolarHBondContact OD2-NE 3.15Å; D321-R323 IonicContact OD2-NH2 3.44Å; D321-R323 PolarHBondContact OD2-NH2 3.39Å; R323-N327 HydrophobicContact CB-CB 4.34Å; R323-N331 VanDerWaalsContact NH1-CB 3.27Å; R323-N331 VanDerWaalsContact NH1-CG 3.32Å; R323-N331 PolarHBondContact NH1-ND2 2.87Å; R323-G337 PolarHBondContact NH2-O 2.91Å; R323-F351 WeakPolarHBondContact O-CB 3.47Å; R323-F351 WeakPolarHBondContact O-CD1 3.42Å; R323-C444 HydrophobicContact CG-CB 4.31Å; R323-S445 WeakPolarHBondContact CD-OG 3.43Å; R323-S445 PolarHBondContact NH1-OG 3.38Å
324	P	96.2	Very high	96.7	Very high	9 Å²	9	52.1 Å²	52.1	6%	0.058	26%	0.256	C	S	.	.			trans	-59.5	145	156.5	-20.9	30.6	0	0	0	111.4	M326 N327 A328 D353 I354 E355	P324-M326 PolarHBondContact O-N 2.94Å; P324-N327 HydrophobicContact CB-CB 4.46Å; P324-N327 WeakPolarHBondContact O-CB 3.43Å; P324-N327 PolarHBondContact O-N 3.11Å; P324-A328 PolarHBondContact O-N 2.96Å; P324-D353 WeakPolarHBondContact CA-OD1 3.42Å; P324-I354 WeakPolarHBondContact CD-O 3.48Å; P324-E355 WeakPolarHBondContact CG-OE1 3.35Å
325	A	96.6	Very high	96.8	Very high	27 Å²	27	53 Å²	53	22%	0.223	27%	0.267	C	S	.	.	H	α-helix	trans	-55	-39.2	-179.3	0	0	0	0	0	112.7	N327 A328 R329 F351	A325-N327 VanDerWaalsContact C-N 3.34Å; A325-N327 PolarHBondContact O-N 3.17Å; A325-A328 PolarHBondContact O-N 3.29Å; A325-R329 WeakPolarHBondContact O-CG 3.39Å; A325-R329 PolarHBondContact O-N 3.43Å; A325-F351 HydrophobicContact CB-CD1 4.5Å; A325-F351 HydrophobicContact CB-CD2 3.68Å; A325-F351 HydrophobicContact CB-CE2 3.89Å; A325-F351 HydrophobicContact CB-CG 4Å; A325-F351 HydrophobicContact CB-CZ 4.4Å
326	M	95.9	Very high	97	Very high	142 Å²	142	45.3 Å²	45.3	70%	0.7	24%	0.241	S	C	*	.	H	α-helix	trans	-61	-42	175.8	-67.6	-167.2	-68	0	0	112.2	P324 A328 R329 A330	P324-M326 PolarHBondContact O-N 2.94Å; M326-A328 VanDerWaalsContact C-N 3.34Å; M326-A328 PolarHBondContact O-N 2.6Å; M326-R329 PolarHBondContact O-N 3.35Å; M326-A330 WeakPolarHBondContact O-CB 3.22Å; M326-A330 PolarHBondContact O-N 2.9Å
327	N	95.6	Very high	97.1	Very high	39 Å²	39	39.7 Å²	39.7	21%	0.209	22%	0.216	C	C	.	.	H	α-helix	trans	-68.8	-36.2	179.3	-68	2.1	0	0	0	110.8	R323 P324 A325 A330 N331 E355	R323-N327 HydrophobicContact CB-CB 4.34Å; P324-N327 HydrophobicContact CB-CB 4.46Å; P324-N327 WeakPolarHBondContact O-CB 3.43Å; P324-N327 PolarHBondContact O-N 3.11Å; A325-N327 VanDerWaalsContact C-N 3.34Å; A325-N327 PolarHBondContact O-N 3.17Å; N327-A330 PolarHBondContact O-N 3.47Å; N327-N331 PolarHBondContact O-N 2.92Å; N327-N331 PolarHBondContact O-ND2 3.44Å; N327-E355 PolarHBondContact ND2-OE2 3.32Å
328	A	97.1	Very high	97.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-42.4	173.4	0	0	0	0	0	112.1	P324 A325 M326 N331 K332 Y338 F351	P324-A328 PolarHBondContact O-N 2.96Å; A325-A328 PolarHBondContact O-N 3.29Å; M326-A328 VanDerWaalsContact C-N 3.34Å; M326-A328 PolarHBondContact O-N 2.6Å; A328-N331 PolarHBondContact O-N 2.94Å; A328-K332 PolarHBondContact O-N 3.21Å; A328-Y338 HydrophobicContact CB-CD1 3.88Å; A328-Y338 HydrophobicContact CB-CE1 4.42Å; A328-F351 HydrophobicContact CB-CD1 4.25Å; A328-F351 HydrophobicContact CB-CE1 3.39Å; A328-F351 HydrophobicContact CB-CZ 3.97Å
329	R	96.8	Very high	97.1	Very high	158 Å²	158	41.4 Å²	41.4	60%	0.596	22%	0.223	S	C	*	.	H	α-helix	trans	-62	-42.4	172.4	-69.2	174.4	-173.2	172	2.5	112.3	A325 M326 N331 K332 A333 Y338	A325-R329 WeakPolarHBondContact O-CG 3.39Å; A325-R329 PolarHBondContact O-N 3.43Å; M326-R329 PolarHBondContact O-N 3.35Å; R329-N331 VanDerWaalsContact C-N 3.31Å; R329-N331 PolarHBondContact O-N 3.4Å; R329-K332 VanDerWaalsContact O-CB 3.3Å; R329-K332 WeakPolarHBondContact O-CB 3.43Å; R329-K332 PolarHBondContact O-N 2.92Å; R329-K332 VanDerWaalsContact O-N 3.13Å; R329-A333 PolarHBondContact O-N 3.18Å; R329-A333 VanDerWaalsContact O-N 3.09Å; R329-Y338 HydrophobicContact CG-CE1 4.29Å
330	A	96.6	Very high	96.9	Very high	50 Å²	50	43.7 Å²	43.7	41%	0.413	24%	0.239	S	C	.	.	H	α-helix	trans	-63.3	-35.9	175.4	0	0	0	0	0	112.4	M326 N327 A333 K334	M326-A330 WeakPolarHBondContact O-CB 3.22Å; M326-A330 PolarHBondContact O-N 2.9Å; N327-A330 PolarHBondContact O-N 3.47Å; A330-A333 PolarHBondContact O-N 3.08Å; A330-K334 PolarHBondContact O-N 3.22Å
331	N	96.6	Very high	96.7	Very high	38 Å²	38	51.4 Å²	51.4	20%	0.203	28%	0.275	C	S	.	.	H	α-helix	trans	-69.6	-36	172.4	-81.9	-92.7	0	0	0	112.2	Q287 R323 N327 A328 R329 A333 K334 G335 G336 S445	Q287-N331 PolarHBondContact NE2-OD1 3.08Å; Q287-N331 VanDerWaalsContact OE1-CB 3.29Å; R323-N331 VanDerWaalsContact NH1-CB 3.27Å; R323-N331 VanDerWaalsContact NH1-CG 3.32Å; R323-N331 PolarHBondContact NH1-ND2 2.87Å; N327-N331 PolarHBondContact O-N 2.92Å; N327-N331 PolarHBondContact O-ND2 3.44Å; A328-N331 PolarHBondContact O-N 2.94Å; R329-N331 VanDerWaalsContact C-N 3.31Å; R329-N331 PolarHBondContact O-N 3.4Å; N331-A333 VanDerWaalsContact C-N 3.26Å; N331-A333 PolarHBondContact O-N 2.93Å; N331-K334 CarbonylContact O-C 3.12Å; N331-K334 WeakPolarHBondContact O-CA 3.4Å; N331-K334 PolarHBondContact O-N 2.89Å; N331-G335 PolarHBondContact O-N 3.4Å; N331-G336 WeakPolarHBondContact O-CA 3.14Å; N331-G336 PolarHBondContact O-N 3.28Å; N331-S445 PolarHBondContact ND2-OG 3.5Å; N331-S445 PolarHBondContact OD1-OG 3.18Å; N331-S445 VanDerWaalsContact OD1-OG 3.06Å
332	K	97.2	Very high	96.6	Very high	51 Å²	51	55.4 Å²	55.4	22%	0.222	31%	0.309	C	S	.	.	H	α-helix	trans	-56.4	-42.7	172.6	-172.7	174.8	179.9	176.2	0	111.4	V290 G291 V292 S294 A328 R329 K334 G335 G336	V290-K332 HydrophobicContact CG2-CD 4.48Å; V290-K332 HydrophobicContact CG2-CG 4.18Å; G291-K332 CarbonylContact C-O 3.49Å; G291-K332 VanDerWaalsContact C-O 3.29Å; G291-K332 WeakPolarHBondContact CA-O 3.12Å; G291-K332 WeakPolarHBondContact O-CE 3.22Å; G291-K332 VanDerWaalsContact O-CG 3.25Å; G291-K332 WeakPolarHBondContact O-CG 3.35Å; V292-K332 PolarHBondContact N-O 3.41Å; S294-K332 VanDerWaalsContact OG-CE 3.28Å; S294-K332 WeakPolarHBondContact OG-CE 3.32Å; S294-K332 PolarHBondContact OG-NZ 3.39Å; A328-K332 PolarHBondContact O-N 3.21Å; R329-K332 VanDerWaalsContact O-CB 3.3Å; R329-K332 WeakPolarHBondContact O-CB 3.43Å; R329-K332 PolarHBondContact O-N 2.92Å; R329-K332 VanDerWaalsContact O-N 3.13Å; K332-K334 PolarHBondContact O-N 3.02Å; K332-G335 PolarHBondContact O-N 3.5Å; K332-G336 WeakPolarHBondContact CA-O 3.43Å
333	A	96.4	Very high	96.4	Very high	70 Å²	70	55.8 Å²	55.8	58%	0.579	31%	0.311	S	S	*	.	H	α-helix	trans	-61.5	-27.2	174.5	0	0	0	0	0	113.8	R329 A330 N331	R329-A333 PolarHBondContact O-N 3.18Å; R329-A333 VanDerWaalsContact O-N 3.09Å; A330-A333 PolarHBondContact O-N 3.08Å; N331-A333 VanDerWaalsContact C-N 3.26Å; N331-A333 PolarHBondContact O-N 2.93Å
334	K	95.7	Very high	96.4	Very high	182 Å²	182	56.3 Å²	56.3	79%	0.791	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	10.8	179.3	-63.4	-179.4	-178	-176.2	0	114.2	A330 N331 K332	A330-K334 PolarHBondContact O-N 3.22Å; N331-K334 CarbonylContact O-C 3.12Å; N331-K334 WeakPolarHBondContact O-CA 3.4Å; N331-K334 PolarHBondContact O-N 2.89Å; K332-K334 PolarHBondContact O-N 3.02Å
335	G	95.5	Very high	96.4	Very high	37 Å²	37	60.5 Å²	60.5	38%	0.381	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.6	-8.7	179.2	0	0	0	0	0	115.6	S289 G291 N331 K332	S289-G335 CarbonylContact C-O 3.56Å; S289-G335 VanDerWaalsContact CA-O 3.31Å; S289-G335 WeakPolarHBondContact CA-O 3.39Å; G291-G335 PolarHBondContact N-O 3.38Å; N331-G335 PolarHBondContact O-N 3.4Å; K332-G335 PolarHBondContact O-N 3.5Å
336	G	97.4	Very high	96.4	Very high	7 Å²	7	62.3 Å²	62.3	7%	0.072	35%	0.346	C	S	.	.			trans	-84.4	-141.6	169.9	0	0	0	0	0	111.7	P288 V290 G291 N331 K332	P288-G336 CarbonylContact O-C 3.58Å; V290-G336 WeakPolarHBondContact CG2-O 3.38Å; V290-G336 PolarHBondContact N-O 3.44Å; G291-G336 PolarHBondContact N-O 3.23Å; N331-G336 WeakPolarHBondContact O-CA 3.14Å; N331-G336 PolarHBondContact O-N 3.28Å; K332-G336 WeakPolarHBondContact CA-O 3.43Å
337	G	97.1	Very high	96.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.319	C	S	.	.			trans	137.8	-144.4	170.4	0	0	0	0	0	112.7	Q287 P288 R323	Q287-G337 WeakPolarHBondContact CB-O 3.33Å; Q287-G337 PolarHBondContact OE1-O 3.27Å; P288-G337 PolarHBondContact O-N 3.41Å; R323-G337 PolarHBondContact NH2-O 2.91Å
338	Y	98.2	Very high	96.6	Very high	52 Å²	52	58 Å²	58	20%	0.204	33%	0.326	C	S	.	.			trans	-152.7	160.3	-174.3	56.7	-93.1	0	0	0	110.3	A328 R329 S340 L349 F351	A328-Y338 HydrophobicContact CB-CD1 3.88Å; A328-Y338 HydrophobicContact CB-CE1 4.42Å; R329-Y338 HydrophobicContact CG-CE1 4.29Å; Y338-S340 PolarHBondContact O-N 2.92Å; Y338-L349 HydrophobicContact CD2-CD2 3.32Å; Y338-L349 HydrophobicContact CE2-CD2 4.08Å; Y338-L349 HydrophobicContact CG-CD2 3.85Å; Y338-F351 HydrophobicContact CD1-CZ 4.16Å; Y338-F351 HydrophobicContact CD2-CZ 4.34Å; Y338-F351 HydrophobicContact CE1-CZ 4.4Å; Y338-F351 HydrophobicContact CG-CZ 4.12Å
339	E	97.8	Very high	96.6	Very high	6 Å²	6	60.2 Å²	60.2	3%	0.028	34%	0.338	C	S	.	.			trans	-68.7	110.8	-179.7	-68.7	88.8	158.7	0	0	110.7	R263 P288 L304 I319 Y344 H443	R263-E339 IonicContact CZ-OE1 3.72Å; R263-E339 IonicContact NH1-OE1 3.57Å; R263-E339 PolarHBondContact NH1-OE1 3.12Å; R263-E339 IonicContact NH2-OE1 2.7Å; R263-E339 PolarHBondContact NH2-OE1 2.86Å; P288-E339 HydrophobicContact CG-CG 4.22Å; L304-E339 HydrophobicContact CD1-CG 4.35Å; I319-E339 HydrophobicContact CD1-CB 3.69Å; I319-E339 HydrophobicContact CD1-CG 3.64Å; E339-Y344 HydrophobicContact CB-CD2 3.43Å; E339-Y344 VanDerWaalsContact CB-CD2 3.43Å; E339-Y344 HydrophobicContact CB-CE2 3.62Å; E339-Y344 HydrophobicContact CB-CG 3.99Å; E339-Y344 HydrophobicContact CG-CD1 4.41Å; E339-Y344 HydrophobicContact CG-CD2 3.79Å; E339-Y344 HydrophobicContact CG-CE1 4.15Å; E339-Y344 HydrophobicContact CG-CE2 3.54Å; E339-Y344 HydrophobicContact CG-CG 4.21Å; E339-H443 IonicContact OE1-NE2 3.53Å; E339-H443 IonicContact OE2-CE1 3.73Å; E339-H443 IonicContact OE2-NE2 3.72Å; E339-H443 PolarHBondContact OE2-NE2 3.5Å
340	S	95.8	Very high	96.7	Very high	48 Å²	48	53.7 Å²	53.7	34%	0.336	32%	0.315	S	S	.	.			trans	-81.1	145.1	176.9	58.5	0	0	0	0	111.9	Y338 A342 A343 Y344	Y338-S340 PolarHBondContact O-N 2.92Å; S340-A342 PolarHBondContact O-N 2.97Å; S340-A342 VanDerWaalsContact O-N 3.15Å; S340-A343 PolarHBondContact O-N 3.11Å; S340-A343 WeakPolarHBondContact OG-CB 3.41Å; S340-Y344 PolarHBondContact O-N 3.28Å
341	E	94.5	Very high	96.7	Very high	163 Å²	163	53.6 Å²	53.6	76%	0.762	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-40.3	176.6	-172.3	175.1	-173.6	0	0	113.1	A343 Y344 P345	E341-A343 VanDerWaalsContact C-N 3.28Å; E341-A343 PolarHBondContact O-N 2.97Å; E341-Y344 CarbonylContact O-C 3.53Å; E341-Y344 VanDerWaalsContact O-C 3.31Å; E341-Y344 PolarHBondContact O-N 2.64Å; E341-P345 WeakPolarHBondContact O-CA 3.27Å
342	A	94.7	Very high	96.7	Very high	85 Å²	85	52.5 Å²	52.5	70%	0.702	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-28	177.6	0	0	0	0	0	114.6	S340	S340-A342 PolarHBondContact O-N 2.97Å; S340-A342 VanDerWaalsContact O-N 3.15Å
343	A	95.5	Very high	96.6	Very high	7 Å²	7	55 Å²	55	6%	0.058	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-28.5	178.5	0	0	0	0	0	111.9	R296 S340 E341	R296-A343 HydrophobicContact CG-CB 4.24Å; S340-A343 PolarHBondContact O-N 3.11Å; S340-A343 WeakPolarHBondContact OG-CB 3.41Å; E341-A343 VanDerWaalsContact C-N 3.28Å; E341-A343 PolarHBondContact O-N 2.97Å
344	Y	97.3	Very high	96.4	Very high	12 Å²	12	52.3 Å²	52.3	5%	0.047	29%	0.291	C	S	.	.			trans	-130.3	69.7	-175.8	-55.2	-91.2	0	0	0	110.5	D300 E301 L304 E339 S340 E341 N346 A347	D300-Y344 WeakPolarHBondContact OD1-CE1 3.29Å; D300-Y344 PolarHBondContact OD1-OH 3.17Å; E301-Y344 HydrophobicContact CB-CE1 4.39Å; E301-Y344 HydrophobicContact CG-CD1 4.25Å; E301-Y344 HydrophobicContact CG-CE1 3.82Å; L304-Y344 HydrophobicContact CB-CD1 4.41Å; L304-Y344 HydrophobicContact CD1-CD1 3.62Å; L304-Y344 HydrophobicContact CD1-CE1 3.54Å; L304-Y344 HydrophobicContact CG-CD1 4.38Å; L304-Y344 HydrophobicContact CG-CE1 4.15Å; E339-Y344 HydrophobicContact CB-CD2 3.43Å; E339-Y344 VanDerWaalsContact CB-CD2 3.43Å; E339-Y344 HydrophobicContact CB-CE2 3.62Å; E339-Y344 HydrophobicContact CB-CG 3.99Å; E339-Y344 HydrophobicContact CG-CD1 4.41Å; E339-Y344 HydrophobicContact CG-CD2 3.79Å; E339-Y344 HydrophobicContact CG-CE1 4.15Å; E339-Y344 HydrophobicContact CG-CE2 3.54Å; E339-Y344 HydrophobicContact CG-CG 4.21Å; S340-Y344 PolarHBondContact O-N 3.28Å; E341-Y344 CarbonylContact O-C 3.53Å; E341-Y344 VanDerWaalsContact O-C 3.31Å; E341-Y344 PolarHBondContact O-N 2.64Å; Y344-N346 PolarHBondContact O-N 3.21Å; Y344-N346 VanDerWaalsContact O-N 3.12Å; Y344-A347 PolarHBondContact O-N 3.03Å
345	P	95.8	Very high	96.1	Very high	96 Å²	96	46.5 Å²	46.5	62%	0.623	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-23.1	-170	24.4	-35.4	0	0	0	114.3	E341	E341-P345 WeakPolarHBondContact O-CA 3.27Å
346	N	97	Very high	95.9	Very high	65 Å²	65	46.9 Å²	46.9	35%	0.348	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	10	177.5	-61.4	-44.9	0	0	0	113	Q305 I308 K316 L317 Y344	Q305-N346 PolarHBondContact NE2-ND2 3.13Å; Q305-N346 PolarHBondContact OE1-ND2 3.48Å; I308-N346 HydrophobicContact CD1-CB 3.59Å; K316-N346 WeakPolarHBondContact CA-O 3.46Å; L317-N346 PolarHBondContact N-O 3.21Å; Y344-N346 PolarHBondContact O-N 3.21Å; Y344-N346 VanDerWaalsContact O-N 3.12Å
347	A	97.5	Very high	95.3	Very high	16 Å²	16	47.5 Å²	47.5	13%	0.132	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.8	178.2	0	0	0	0	0	111.4	L317 I319 Y344	L317-A347 HydrophobicContact CB-CB 4.48Å; L317-A347 CarbonylContact O-C 3.5Å; L317-A347 WeakPolarHBondContact O-CA 3.44Å; I319-A347 HydrophobicContact CD1-CB 3.65Å; I319-A347 HydrophobicContact CG1-CB 4.07Å; Y344-A347 PolarHBondContact O-N 3.03Å
348	E	97.4	Very high	94.6	Very high	76 Å²	76	51.9 Å²	51.9	36%	0.355	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	111.9	176.5	-169.6	176.2	142.4	0	0	109.5	L317 Y318 I319	L317-E348 PolarHBondContact O-N 3.45Å; Y318-E348 WeakPolarHBondContact CA-O 3.37Å; Y318-E348 HydrophobicContact CD1-CB 4.07Å; Y318-E348 HydrophobicContact CD1-CG 4.31Å; Y318-E348 HydrophobicContact CE1-CB 4.15Å; Y318-E348 VanDerWaalsContact CE1-CD 3.45Å; Y318-E348 HydrophobicContact CE1-CG 4.09Å; Y318-E348 WeakPolarHBondContact CE1-OE1 3.33Å; I319-E348 PolarHBondContact N-O 3.18Å
349	L	97.9	Very high	93.5	Very high	46 Å²	46	50.8 Å²	50.8	24%	0.241	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.9	-179.5	-179	70.1	0	0	0	111.2	I319 D321 Y338 F351	I319-L349 HydrophobicContact CB-CD1 3.95Å; I319-L349 HydrophobicContact CG2-CD1 3.64Å; I319-L349 CarbonylContact O-C 3.38Å; I319-L349 WeakPolarHBondContact O-CA 3.41Å; D321-L349 HydrophobicContact CB-CD1 3.99Å; Y338-L349 HydrophobicContact CD2-CD2 3.32Å; Y338-L349 HydrophobicContact CE2-CD2 4.08Å; Y338-L349 HydrophobicContact CG-CD2 3.85Å; L349-F351 HydrophobicContact CD2-CE1 4.31Å; L349-F351 HydrophobicContact CD2-CE2 4.02Å; L349-F351 HydrophobicContact CD2-CZ 3.67Å; L349-F351 HydrophobicContact CG-CZ 4.37Å
350	V	97.9	Very high	92.2	Very high	21 Å²	21	50.7 Å²	50.7	13%	0.127	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124	177.6	-179.5	0	0	0	0	109.3	Y318 I319 M320 D321 L352	Y318-V350 HydrophobicContact CD1-CG2 4.21Å; I319-V350 PolarHBondContact O-N 3.16Å; M320-V350 HydrophobicContact SD-CB 3.74Å; M320-V350 HydrophobicContact SD-CG1 3.98Å; M320-V350 HydrophobicContact SD-CG2 4.29Å; D321-V350 PolarHBondContact N-O 3.05Å; V350-L352 HydrophobicContact CG1-CD2 4.3Å
351	F	98	Very high	90.9	Very high	47 Å²	47	49.1 Å²	49.1	21%	0.206	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	134.8	170	-64.9	-69.5	0	0	0	110.3	D321 R323 A325 A328 Y338 L349	D321-F351 HydrophobicContact CB-CD1 3.78Å; D321-F351 HydrophobicContact CB-CE1 3.93Å; D321-F351 CarbonylContact O-C 3.55Å; D321-F351 WeakPolarHBondContact O-CA 3.45Å; R323-F351 WeakPolarHBondContact O-CB 3.47Å; R323-F351 WeakPolarHBondContact O-CD1 3.42Å; A325-F351 HydrophobicContact CB-CD1 4.5Å; A325-F351 HydrophobicContact CB-CD2 3.68Å; A325-F351 HydrophobicContact CB-CE2 3.89Å; A325-F351 HydrophobicContact CB-CG 4Å; A325-F351 HydrophobicContact CB-CZ 4.4Å; A328-F351 HydrophobicContact CB-CD1 4.25Å; A328-F351 HydrophobicContact CB-CE1 3.39Å; A328-F351 HydrophobicContact CB-CZ 3.97Å; Y338-F351 HydrophobicContact CD1-CZ 4.16Å; Y338-F351 HydrophobicContact CD2-CZ 4.34Å; Y338-F351 HydrophobicContact CE1-CZ 4.4Å; Y338-F351 HydrophobicContact CG-CZ 4.12Å; L349-F351 HydrophobicContact CD2-CE1 4.31Å; L349-F351 HydrophobicContact CD2-CE2 4.02Å; L349-F351 HydrophobicContact CD2-CZ 3.67Å; L349-F351 HydrophobicContact CG-CZ 4.37Å
352	L	96.8	Very high	88.9	Confident	16 Å²	16	44.1 Å²	44.1	8%	0.084	24%	0.244	C	C	.	.			trans	-101.8	0.3	-179.3	-58.6	178.5	0	0	0	113.8	M320 D321 V350 I354 I429 L454	M320-L352 HydrophobicContact CB-CD1 4.09Å; M320-L352 HydrophobicContact SD-CD2 4.01Å; D321-L352 PolarHBondContact O-N 3.46Å; V350-L352 HydrophobicContact CG1-CD2 4.3Å; L352-I354 VanDerWaalsContact C-N 3.26Å; L352-I354 HydrophobicContact CB-CD1 4.24Å; L352-I354 HydrophobicContact CB-CG1 4.33Å; L352-I354 PolarHBondContact O-N 3.06Å; L352-I429 HydrophobicContact CD1-CD1 4.45Å; L352-L454 HydrophobicContact CD1-CD1 3.55Å; L352-L454 HydrophobicContact CD1-CD2 4.05Å; L352-L454 HydrophobicContact CD1-CG 4.46Å
353	D	94.3	Very high	86.4	Confident	102 Å²	102	46.1 Å²	46.1	55%	0.545	23%	0.233	S	C	.	.			trans	56.3	32.6	174.2	-57.6	-45.8	0	0	0	115.2	P324	P324-D353 WeakPolarHBondContact CA-OD1 3.42Å
354	I	92.3	Very high	83.9	Confident	14 Å²	14	48.2 Å²	48.2	7%	0.072	24%	0.242	C	C	.	.			trans	-89	116	176.2	-55	165.9	0	0	0	110	A322 P324 L352 M360 V422 R450 L454	A322-I354 HydrophobicContact CB-CD1 4.32Å; A322-I354 WeakPolarHBondContact O-CA 3.25Å; A322-I354 WeakPolarHBondContact O-CB 3.35Å; A322-I354 PolarHBondContact O-N 3.06Å; P324-I354 WeakPolarHBondContact CD-O 3.48Å; L352-I354 VanDerWaalsContact C-N 3.26Å; L352-I354 HydrophobicContact CB-CD1 4.24Å; L352-I354 HydrophobicContact CB-CG1 4.33Å; L352-I354 PolarHBondContact O-N 3.06Å; I354-M360 HydrophobicContact CG2-CE 4.49Å; I354-V422 HydrophobicContact CB-CG1 4.46Å; I354-V422 HydrophobicContact CD1-CB 3.84Å; I354-V422 HydrophobicContact CD1-CG1 3.8Å; I354-V422 HydrophobicContact CG1-CB 4.49Å; I354-V422 HydrophobicContact CG1-CG1 4.11Å; I354-V422 HydrophobicContact CG2-CG1 3.51Å; I354-R450 HydrophobicContact CB-CG 4.34Å; I354-R450 HydrophobicContact CG2-CG 3.7Å; I354-R450 VanDerWaalsContact O-CD 3.3Å; I354-R450 WeakPolarHBondContact O-CD 3.47Å; I354-R450 PolarHBondContact O-NH1 3.33Å; I354-L454 HydrophobicContact CD1-CD1 3.97Å; I354-L454 HydrophobicContact CD1-CD2 3.79Å; I354-L454 HydrophobicContact CD1-CG 4.06Å
355	E	90	Very high	80.9	Confident	60 Å²	60	52.2 Å²	52.2	28%	0.28	27%	0.267	S	S	.	.			trans	-60	156.9	-177.7	-74.2	-60	161.5	0	0	114.2	P324 N327 V359 M360 R450	P324-E355 WeakPolarHBondContact CG-OE1 3.35Å; N327-E355 PolarHBondContact ND2-OE2 3.32Å; E355-V359 HydrophobicContact CB-CB 3.8Å; E355-V359 HydrophobicContact CB-CG1 3.99Å; E355-V359 HydrophobicContact CB-CG2 3.86Å; E355-V359 HydrophobicContact CG-CB 4.37Å; E355-V359 HydrophobicContact CG-CG1 4.18Å; E355-V359 HydrophobicContact CG-CG2 4.14Å; E355-M360 HydrophobicContact CB-CE 3.88Å; E355-R450 WeakPolarHBondContact O-CD 3.16Å
356	N	89.8	Confident	77.8	Confident	46 Å²	46	53.8 Å²	53.8	25%	0.246	27%	0.269	C	S	.	.			trans	-74.1	171.8	-178.5	70.2	51.1	0	0	0	111.9	H358 V359	N356-H358 PolarHBondContact O-N 3.41Å; N356-H358 WeakPolarHBondContact OD1-CA 3.26Å; N356-H358 WeakPolarHBondContact OD1-CB 3.19Å; N356-H358 PolarHBondContact OD1-CD2 3Å; N356-H358 VanDerWaalsContact OD1-CD2 3.29Å; N356-H358 PolarHBondContact OD1-N 3.36Å; N356-V359 PolarHBondContact O-N 3.37Å
357	I	85.8	Confident	74.5	Confident	20 Å²	20	56.2 Å²	56.2	10%	0.103	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-26.1	-177.5	56.6	171.7	0	0	0	114	M360 R361 D449 S504 V506	I357-M360 PolarHBondContact O-N 2.98Å; I357-R361 WeakPolarHBondContact O-CG 3.11Å; I357-R361 PolarHBondContact O-N 3.4Å; I357-R361 PolarHBondContact O-NE 3.46Å; I357-D449 HydrophobicContact CG2-CB 4.32Å; I357-S504 PolarHBondContact O-OG 2.82Å; I357-V506 HydrophobicContact CG2-CG2 3.74Å
358	H	81.4	Confident	71.1	Confident	92 Å²	92	61 Å²	61	43%	0.426	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-35.1	-178	-59.7	-108.9	0	0	0	112.9	N356 M360 R361	N356-H358 PolarHBondContact O-N 3.41Å; N356-H358 WeakPolarHBondContact OD1-CA 3.26Å; N356-H358 WeakPolarHBondContact OD1-CB 3.19Å; N356-H358 PolarHBondContact OD1-CD2 3Å; N356-H358 VanDerWaalsContact OD1-CD2 3.29Å; N356-H358 PolarHBondContact OD1-N 3.36Å; H358-M360 VanDerWaalsContact C-N 3.31Å; H358-R361 PolarHBondContact CD2-NH2 2.88Å; H358-R361 VanDerWaalsContact CE1-CZ 3.49Å; H358-R361 PolarHBondContact CE1-NH1 3.1Å; H358-R361 PolarHBondContact CE1-NH2 2.93Å; H358-R361 VanDerWaalsContact CE1-NH2 3.29Å; H358-R361 VanDerWaalsContact CG-CZ 3.44Å; H358-R361 VanDerWaalsContact ND1-CZ 3.32Å; H358-R361 PolarHBondContact ND1-NH1 3.32Å; H358-R361 PolarHBondContact NE2-NH2 3.14Å
359	V	76.9	Confident	67.6	Low	29 Å²	29	61.8 Å²	61.8	18%	0.176	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-31.6	178.1	179.4	0	0	0	0	111.1	E355 N356 R361 A389 S391	E355-V359 HydrophobicContact CB-CB 3.8Å; E355-V359 HydrophobicContact CB-CG1 3.99Å; E355-V359 HydrophobicContact CB-CG2 3.86Å; E355-V359 HydrophobicContact CG-CB 4.37Å; E355-V359 HydrophobicContact CG-CG1 4.18Å; E355-V359 HydrophobicContact CG-CG2 4.14Å; N356-V359 PolarHBondContact O-N 3.37Å; V359-R361 VanDerWaalsContact C-N 3.33Å; V359-R361 PolarHBondContact O-N 2.69Å; V359-A389 CarbonylContact C-O 3.47Å; V359-A389 CarbonylContact O-C 3.45Å; V359-A389 VanDerWaalsContact O-C 3.31Å; V359-A389 VanDerWaalsContact O-O 3.12Å; V359-S391 PolarHBondContact O-N 2.7Å
360	M	69.5	Low	64.2	Low	4 Å²	4	62.8 Å²	62.8	2%	0.02	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-8.8	-177.7	-49.9	-49.5	-173.8	0	0	113.5	I354 E355 I357 H358 H420 P505 Q509	I354-M360 HydrophobicContact CG2-CE 4.49Å; E355-M360 HydrophobicContact CB-CE 3.88Å; I357-M360 PolarHBondContact O-N 2.98Å; H358-M360 VanDerWaalsContact C-N 3.31Å; M360-H420 HydrophobicContact CE-CB 3.74Å; M360-H420 HydrophobicContact SD-CB 3.72Å; M360-P505 HydrophobicContact CB-CG 4.36Å; M360-P505 WeakPolarHBondContact O-CD 3.06Å; M360-P505 VanDerWaalsContact O-CG 3.22Å; M360-P505 WeakPolarHBondContact O-CG 3.31Å; M360-Q509 PolarHBondContact SD-NE2 3.09Å
361	R	68.8	Low	60.6	Low	15 Å²	15	70.1 Å²	70.1	6%	0.057	39%	0.387	C	S	.	.			trans	-75.8	172.3	-168.7	-53	-171.9	-178.3	156	-7.6	113.1	I357 H358 V359 F390 T501 R503	I357-R361 WeakPolarHBondContact O-CG 3.11Å; I357-R361 PolarHBondContact O-N 3.4Å; I357-R361 PolarHBondContact O-NE 3.46Å; H358-R361 PolarHBondContact CD2-NH2 2.88Å; H358-R361 VanDerWaalsContact CE1-CZ 3.49Å; H358-R361 PolarHBondContact CE1-NH1 3.1Å; H358-R361 PolarHBondContact CE1-NH2 2.93Å; H358-R361 VanDerWaalsContact CE1-NH2 3.29Å; H358-R361 VanDerWaalsContact CG-CZ 3.44Å; H358-R361 VanDerWaalsContact ND1-CZ 3.32Å; H358-R361 PolarHBondContact ND1-NH1 3.32Å; H358-R361 PolarHBondContact NE2-NH2 3.14Å; V359-R361 VanDerWaalsContact C-N 3.33Å; V359-R361 PolarHBondContact O-N 2.69Å; R361-F390 CarbonylContact O-C 3.57Å; R361-F390 WeakPolarHBondContact O-CA 3.07Å; R361-F390 WeakPolarHBondContact O-CB 3.3Å; R361-T501 WeakPolarHBondContact CD-O 3.47Å; R361-T501 PolarHBondContact NE-O 3.23Å; R361-T501 VanDerWaalsContact NH1-C 3.3Å; R361-T501 VanDerWaalsContact NH1-CA 3.32Å; R361-T501 PolarHBondContact NH1-O 2.75Å; R361-T501 PolarHBondContact NH2-O 3.47Å; R361-R503 WeakPolarHBondContact CD-O 3.46Å; R361-R503 WeakPolarHBondContact CG-O 3.49Å; R361-R503 PolarHBondContact NE-O 3.1Å
362	E	52.9	Low	57.3	Low	58 Å²	58	72.4 Å²	72.4	27%	0.271	41%	0.409	S	S	.	.			trans	-104.6	114.8	158.1	178.9	-174.3	-154.4	0	0	107.6	R393 R396	E362-R393 HydrophobicContact CB-CB 4.38Å; E362-R393 HydrophobicContact CG-CB 4.09Å; E362-R393 HydrophobicContact CG-CG 4.28Å; E362-R396 VanDerWaalsContact CD-NE 3.27Å; E362-R396 WeakPolarHBondContact OE1-CD 2.99Å; E362-R396 IonicContact OE1-CZ 3.94Å; E362-R396 IonicContact OE1-NE 2.63Å; E362-R396 PolarHBondContact OE1-NE 3.27Å; E362-R396 VanDerWaalsContact OE1-NE 3.09Å; E362-R396 IonicContact OE1-NH1 3.18Å; E362-R396 PolarHBondContact OE1-NH1 3.15Å; E362-R396 IonicContact OE1-NH2 2.93Å; E362-R396 IonicContact OE2-CZ 2.91Å; E362-R396 IonicContact OE2-NE 3.76Å; E362-R396 PolarHBondContact OE2-NE 2.88Å; E362-R396 IonicContact OE2-NH1 2.92Å; E362-R396 PolarHBondContact OE2-NH1 3.39Å; E362-R396 IonicContact OE2-NH2 2.73Å; E362-R396 PolarHBondContact OE2-NH2 3.07Å
363	R	42.2	Very low	54.2	Low	127 Å²	127	76.8 Å²	76.8	48%	0.479	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-90.3	132.8	160.5	-107.5	-165.8	177.9	175.3	-5.3	108.3	F390 R393	R363-F390 HydrophobicContact CB-CD1 3.64Å; R363-F390 HydrophobicContact CB-CD2 4.4Å; R363-F390 HydrophobicContact CB-CE1 3.36Å; R363-F390 HydrophobicContact CB-CE2 4.14Å; R363-F390 HydrophobicContact CB-CG 4.19Å; R363-F390 HydrophobicContact CB-CZ 3.64Å; R363-F390 VanDerWaalsContact CD-CZ 3.49Å; R363-F390 HydrophobicContact CG-CD1 4.19Å; R363-F390 HydrophobicContact CG-CE1 3.44Å; R363-F390 VanDerWaalsContact CG-CE1 3.44Å; R363-F390 HydrophobicContact CG-CZ 3.7Å; R363-F390 VanDerWaalsContact N-CD1 3.29Å; R363-R393 WeakPolarHBondContact O-CD 3.24Å
364	Q	43.3	Very low	51	Low	50 Å²	50	79.6 Å²	79.6	23%	0.234	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-78.5	121.9	151	-84.6	177.9	-24.4	0	0	108	I366	Q364-I366 PolarHBondContact O-N 2.98Å
365	V	33	Very low	48.2	Very low	97 Å²	97	87.7 Å²	87.7	59%	0.588	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-67	119.3	150.6	177.4	0	0	0	0	104.3	T367	V365-T367 PolarHBondContact O-N 2.93Å; V365-T367 PolarHBondContact O-OG1 3.06Å
366	I	31.1	Very low	45.3	Very low	128 Å²	128	90.5 Å²	90.5	66%	0.656	52%	0.515	S	S	*	.			trans	-65.2	97.8	163.9	-62.3	173	0	0	0	104.3	Q364 T368	Q364-I366 PolarHBondContact O-N 2.98Å; I366-T368 HydrophobicContact CG2-CG2 3.93Å; I366-T368 PolarHBondContact O-N 3.12Å
367	T	27.9	Very low	42.7	Very low	117 Å²	117	94.8 Å²	94.8	72%	0.718	54%	0.537	S	S	*	.			trans	-74.1	72.4	171	-16.9	0	0	0	0	107.9	V365 C369	V365-T367 PolarHBondContact O-N 2.93Å; V365-T367 PolarHBondContact O-OG1 3.06Å; T367-C369 VanDerWaalsContact C-N 3.28Å
368	T	25	Very low	40.1	Very low	117 Å²	117	99.7 Å²	99.7	72%	0.718	56%	0.563	S	S	*	*			trans	-92.9	68.8	153.2	41.7	0	0	0	0	107.3	I366	I366-T368 HydrophobicContact CG2-CG2 3.93Å; I366-T368 PolarHBondContact O-N 3.12Å
369	C	25.8	Very low	37.7	Very low	91 Å²	91	107 Å²	107	62%	0.615	59%	0.586	S	S	*	*			trans	-157.5	108.4	167.3	-76	0	0	0	0	103.8	T367	T367-C369 VanDerWaalsContact C-N 3.28Å
370	G	25.2	Very low	35.5	Very low	67 Å²	67	111.6 Å²	111.6	69%	0.691	61%	0.61	S	S	*	*			cis	62.6	90.2	45.8	0	0	0	0	0	107.5	S372	G370-S372 PolarHBondContact O-N 2.96Å
371	N	23.5	Very low	33.7	Very low	175 Å²	175	120.2 Å²	120.2	94%	0.936	65%	0.653	S	S	*	*			trans	17.7	97	165.2	-60.8	-15.7	0	0	0	116
372	S	28	Very low	32	Very low	96 Å²	96	128 Å²	128	67%	0.671	69%	0.69	S	S	*	*			trans	-124.9	79.5	172.3	64.8	0	0	0	0	110.9	G370	G370-S372 PolarHBondContact O-N 2.96Å
373	A	30.7	Very low	31.1	Very low	108 Å²	108	127.9 Å²	127.9	89%	0.893	69%	0.691	S	S	*	*			trans	-83.6	9.1	158	0	0	0	0	0	112
374	E	28.2	Very low	30.5	Very low	160 Å²	160	128.9 Å²	128.9	75%	0.748	70%	0.699	S	S	*	*			trans	-128.7	99.4	-176.1	-69.1	179.9	162.8	0	0	109.2
375	F	33.8	Very low	30	Very low	184 Å²	184	130.1 Å²	130.1	81%	0.807	72%	0.717	S	S	*	*			trans	-178.2	82.2	144.7	-101.2	-69.2	0	0	0	110.8	I377	F375-I377 PolarHBondContact O-N 3.09Å
376	P	29.1	Very low	30.1	Very low	119 Å²	119	131.4 Å²	131.4	77%	0.773	72%	0.715	S	S	*	*			trans	-85.5	15.7	178.2	-9.4	28.1	0	0	0	116
377	I	33.9	Very low	30	Very low	136 Å²	136	130 Å²	130	70%	0.697	71%	0.708	S	S	*	*			trans	-115.8	23.7	-160.2	-34.2	-178.9	0	0	0	115.2	F375	F375-I377 PolarHBondContact O-N 3.09Å
378	L	33	Very low	30.5	Very low	123 Å²	123	127.6 Å²	127.6	64%	0.644	69%	0.691	S	S	*	*			trans	-120.2	40.8	-179.7	-70.1	171	0	0	0	114.1	N380 I383	L378-N380 VanDerWaalsContact C-N 3.34Å; L378-N380 PolarHBondContact O-N 3Å; L378-I383 HydrophobicContact CB-CD1 3.73Å; L378-I383 HydrophobicContact CD2-CD1 3.63Å; L378-I383 HydrophobicContact CG-CD1 4.15Å
379	R	29.7	Very low	31.6	Very low	245 Å²	245	122.6 Å²	122.6	93%	0.925	66%	0.662	S	S	*	*			trans	-90.5	45.4	173.7	-72.5	-168.2	178	-158.9	1.6	113.6
380	N	30.3	Very low	33.2	Very low	127 Å²	127	119.3 Å²	119.3	68%	0.679	64%	0.637	S	S	*	*			trans	-105.2	135.2	171.8	-82.3	-28.2	0	0	0	111.5	L378 Q382 I383	L378-N380 VanDerWaalsContact C-N 3.34Å; L378-N380 PolarHBondContact O-N 3Å; N380-Q382 PolarHBondContact O-N 3.2Å; N380-I383 PolarHBondContact O-N 3.16Å
381	M	32.3	Very low	35.2	Very low	184 Å²	184	116.1 Å²	116.1	91%	0.906	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.7	-22.4	-170.2	-110.7	170	69.7	0	0	116.6
382	Q	33.8	Very low	37.5	Very low	179 Å²	179	108.2 Å²	108.2	84%	0.836	56%	0.562	S	S	*	*	H	α-helix	trans	-78.8	-18.2	179.9	-73.2	175	-15	0	0	114	N380	N380-Q382 PolarHBondContact O-N 3.2Å
383	I	34.3	Very low	39.5	Very low	56 Å²	56	106.6 Å²	106.6	29%	0.287	54%	0.541	S	S	.	.	H	α-helix	trans	-82.4	-23.8	179	-63	174.2	0	0	0	111.6	L378 N380 A385 F386 L387	L378-I383 HydrophobicContact CB-CD1 3.73Å; L378-I383 HydrophobicContact CD2-CD1 3.63Å; L378-I383 HydrophobicContact CG-CD1 4.15Å; N380-I383 PolarHBondContact O-N 3.16Å; I383-A385 VanDerWaalsContact C-N 3.31Å; I383-A385 PolarHBondContact O-N 2.72Å; I383-F386 CarbonylContact O-C 3.31Å; I383-F386 WeakPolarHBondContact O-CA 3.41Å; I383-F386 WeakPolarHBondContact O-CB 3.32Å; I383-F386 PolarHBondContact O-N 2.94Å; I383-L387 HydrophobicContact CG2-CD1 3.86Å; I383-L387 HydrophobicContact CG2-CG 4.07Å; I383-L387 PolarHBondContact O-N 3.29Å
384	F	28.4	Very low	41.4	Very low	148 Å²	148	103.3 Å²	103.3	65%	0.649	51%	0.507	S	S	*	.	H	α-helix	trans	-63.7	-34.7	-179.8	-124.7	-89.2	0	0	0	112.8	F386 L387 N388	F384-F386 VanDerWaalsContact C-N 3.31Å; F384-F386 PolarHBondContact O-N 3.4Å; F384-L387 PolarHBondContact O-N 3.26Å; F384-N388 PolarHBondContact O-N 3.43Å; F384-N388 VanDerWaalsContact O-N 3.14Å
385	A	32.8	Very low	43.7	Very low	76 Å²	76	95.7 Å²	95.7	63%	0.628	47%	0.471	S	S	*	.	H	α-helix	trans	-67.7	-32	171.9	0	0	0	0	0	112.3	I383 A389	I383-A385 VanDerWaalsContact C-N 3.31Å; I383-A385 PolarHBondContact O-N 2.72Å; A385-A389 PolarHBondContact O-N 2.89Å
386	F	35	Very low	45.4	Very low	123 Å²	123	88.2 Å²	88.2	54%	0.539	44%	0.438	S	S	.	.	H	α-helix	trans	-77.3	-29.9	178	-140.5	-93.8	0	0	0	112.4	I383 F384 A389	I383-F386 CarbonylContact O-C 3.31Å; I383-F386 WeakPolarHBondContact O-CA 3.41Å; I383-F386 WeakPolarHBondContact O-CB 3.32Å; I383-F386 PolarHBondContact O-N 2.94Å; F384-F386 VanDerWaalsContact C-N 3.31Å; F384-F386 PolarHBondContact O-N 3.4Å; F386-A389 WeakPolarHBondContact O-CB 3.49Å; F386-A389 PolarHBondContact O-N 3.42Å
387	L	30.6	Very low	47.3	Very low	99 Å²	99	87.6 Å²	87.6	52%	0.518	42%	0.424	S	S	.	.	H	α-helix	trans	-76.2	-26.5	173.8	-73.8	166.4	0	0	0	112.9	I383 F384 A389 K394	I383-L387 HydrophobicContact CG2-CD1 3.86Å; I383-L387 HydrophobicContact CG2-CG 4.07Å; I383-L387 PolarHBondContact O-N 3.29Å; F384-L387 PolarHBondContact O-N 3.26Å; L387-A389 VanDerWaalsContact C-N 3.32Å; L387-K394 VanDerWaalsContact O-CE 3.32Å; L387-K394 WeakPolarHBondContact O-CE 3.32Å
388	N	37.2	Very low	49.2	Very low	66 Å²	66	81.9 Å²	81.9	35%	0.353	40%	0.395	S	S	.	.	S	Bend	trans	-82.3	-4.9	170.9	-77.6	-23.4	0	0	0	114.1	F384 F390 K394	F384-N388 PolarHBondContact O-N 3.43Å; F384-N388 VanDerWaalsContact O-N 3.14Å; N388-F390 PolarHBondContact O-N 3.26Å; N388-K394 PolarHBondContact OD1-NZ 3.45Å
389	A	48.7	Very low	50.9	Low	13 Å²	13	76.1 Å²	76.1	11%	0.107	37%	0.365	C	S	.	.	S	Bend	trans	-77.8	17.2	-169.3	0	0	0	0	0	116.3	V359 A385 F386 L387	V359-A389 CarbonylContact C-O 3.47Å; V359-A389 CarbonylContact O-C 3.45Å; V359-A389 VanDerWaalsContact O-C 3.31Å; V359-A389 VanDerWaalsContact O-O 3.12Å; A385-A389 PolarHBondContact O-N 2.89Å; F386-A389 WeakPolarHBondContact O-CB 3.49Å; F386-A389 PolarHBondContact O-N 3.42Å; L387-A389 VanDerWaalsContact C-N 3.32Å
390	F	58.6	Low	52.3	Low	22 Å²	22	65.9 Å²	65.9	10%	0.096	33%	0.33	C	S	.	.			trans	-138.6	56.6	-177.8	-52.1	-64.5	0	0	0	112.9	R361 R363 N388 L392 R393 K394	R361-F390 CarbonylContact O-C 3.57Å; R361-F390 WeakPolarHBondContact O-CA 3.07Å; R361-F390 WeakPolarHBondContact O-CB 3.3Å; R363-F390 HydrophobicContact CB-CD1 3.64Å; R363-F390 HydrophobicContact CB-CD2 4.4Å; R363-F390 HydrophobicContact CB-CE1 3.36Å; R363-F390 HydrophobicContact CB-CE2 4.14Å; R363-F390 HydrophobicContact CB-CG 4.19Å; R363-F390 HydrophobicContact CB-CZ 3.64Å; R363-F390 VanDerWaalsContact CD-CZ 3.49Å; R363-F390 HydrophobicContact CG-CD1 4.19Å; R363-F390 HydrophobicContact CG-CE1 3.44Å; R363-F390 VanDerWaalsContact CG-CE1 3.44Å; R363-F390 HydrophobicContact CG-CZ 3.7Å; R363-F390 VanDerWaalsContact N-CD1 3.29Å; N388-F390 PolarHBondContact O-N 3.26Å; F390-L392 VanDerWaalsContact C-N 3.34Å; F390-L392 PolarHBondContact O-N 3.26Å; F390-R393 HydrophobicContact CB-CB 3.73Å; F390-R393 WeakPolarHBondContact O-CA 3.44Å; F390-R393 VanDerWaalsContact O-CB 3.32Å; F390-R393 WeakPolarHBondContact O-CB 3.45Å; F390-R393 PolarHBondContact O-N 2.92Å; F390-K394 PolarHBondContact O-N 3.22Å; F390-K394 VanDerWaalsContact O-N 3.11Å
391	S	67.5	Low	53.4	Low	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-52.6	-48	-171.9	-179.4	0	0	0	0	113.2	V359 R393 K394 L395 T415 W417	V359-S391 PolarHBondContact O-N 2.7Å; S391-R393 VanDerWaalsContact C-N 3.33Å; S391-R393 PolarHBondContact O-N 2.79Å; S391-K394 PolarHBondContact O-N 3.32Å; S391-L395 PolarHBondContact O-N 2.84Å; S391-T415 VanDerWaalsContact CA-O 3.29Å; S391-T415 WeakPolarHBondContact CA-O 3.19Å; S391-T415 WeakPolarHBondContact CB-O 3.35Å; S391-T415 PolarHBondContact OG-O 3.21Å; S391-W417 WeakPolarHBondContact OG-CA 3.4Å; S391-W417 PolarHBondContact OG-N 3.24Å
392	L	71.5	Confident	54.4	Low	8 Å²	8	56.5 Å²	56.5	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-38.1	177.9	-176.5	60.2	0	0	0	111.8	F390 L395 R396 W417 P505 L508	F390-L392 VanDerWaalsContact C-N 3.34Å; F390-L392 PolarHBondContact O-N 3.26Å; L392-L395 HydrophobicContact CD1-CD2 4.08Å; L392-L395 WeakPolarHBondContact O-CB 3.35Å; L392-L395 PolarHBondContact O-N 2.9Å; L392-R396 WeakPolarHBondContact O-CG 3.39Å; L392-R396 PolarHBondContact O-N 2.72Å; L392-W417 HydrophobicContact CB-CE3 4.22Å; L392-W417 HydrophobicContact CB-CH2 4.5Å; L392-W417 HydrophobicContact CB-CZ3 3.74Å; L392-W417 HydrophobicContact CD1-CE3 4.38Å; L392-W417 HydrophobicContact CD1-CH2 4.03Å; L392-W417 HydrophobicContact CD1-CZ3 3.96Å; L392-W417 HydrophobicContact CG-CZ3 4.34Å; L392-P505 HydrophobicContact CB-CG 4.18Å; L392-P505 HydrophobicContact CD2-CB 3.62Å; L392-P505 HydrophobicContact CD2-CG 3.68Å; L392-P505 HydrophobicContact CG-CG 4.49Å; L392-L508 HydrophobicContact CD1-CD2 4.39Å; L392-L508 HydrophobicContact CD2-CD2 4.46Å
393	R	70	Confident	55.5	Low	62 Å²	62	50.7 Å²	50.7	23%	0.234	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-51.3	178.7	-173.7	-179.5	71	109.6	-8.9	111.5	E362 R363 F390 S391 L395 R396 E397	E362-R393 HydrophobicContact CB-CB 4.38Å; E362-R393 HydrophobicContact CG-CB 4.09Å; E362-R393 HydrophobicContact CG-CG 4.28Å; R363-R393 WeakPolarHBondContact O-CD 3.24Å; F390-R393 HydrophobicContact CB-CB 3.73Å; F390-R393 WeakPolarHBondContact O-CA 3.44Å; F390-R393 VanDerWaalsContact O-CB 3.32Å; F390-R393 WeakPolarHBondContact O-CB 3.45Å; F390-R393 PolarHBondContact O-N 2.92Å; S391-R393 VanDerWaalsContact C-N 3.33Å; S391-R393 PolarHBondContact O-N 2.79Å; R393-L395 VanDerWaalsContact C-N 3.26Å; R393-L395 PolarHBondContact O-N 2.82Å; R393-R396 WeakPolarHBondContact O-CA 3.35Å; R393-R396 VanDerWaalsContact O-CB 3.24Å; R393-R396 WeakPolarHBondContact O-CB 3.29Å; R393-R396 PolarHBondContact O-N 2.98Å; R393-E397 IonicContact CZ-OE1 3.38Å; R393-E397 IonicContact NE-OE1 3.81Å; R393-E397 IonicContact NH1-OE1 3.26Å; R393-E397 PolarHBondContact NH1-OE1 2.96Å; R393-E397 PolarHBondContact O-N 3.25Å; R393-E397 VanDerWaalsContact O-N 3.1Å
394	K	71.5	Confident	56.8	Low	39 Å²	39	56.2 Å²	56.2	17%	0.17	30%	0.295	C	S	.	.	H	α-helix	trans	-59.1	-41.6	177.2	-64.4	-175.5	178.6	-170.6	0	110.6	L387 N388 F390 S391 R396 E397 I398 E414 T415	L387-K394 VanDerWaalsContact O-CE 3.32Å; L387-K394 WeakPolarHBondContact O-CE 3.32Å; N388-K394 PolarHBondContact OD1-NZ 3.45Å; F390-K394 PolarHBondContact O-N 3.22Å; F390-K394 VanDerWaalsContact O-N 3.11Å; S391-K394 PolarHBondContact O-N 3.32Å; K394-R396 VanDerWaalsContact C-N 3.25Å; K394-R396 PolarHBondContact O-N 3.41Å; K394-E397 PolarHBondContact O-N 3.2Å; K394-I398 PolarHBondContact O-N 3.04Å; K394-E414 WeakPolarHBondContact CD-O 3.47Å; K394-E414 PolarHBondContact NZ-O 3.27Å; K394-T415 HydrophobicContact CB-CG2 3.81Å
395	L	75.3	Confident	58.9	Low	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-57.4	-38.3	172.5	-167.5	72	0	0	0	112	S391 L392 R393 I398 C399 L412 T415 W417 F603 Y608	S391-L395 PolarHBondContact O-N 2.84Å; L392-L395 HydrophobicContact CD1-CD2 4.08Å; L392-L395 WeakPolarHBondContact O-CB 3.35Å; L392-L395 PolarHBondContact O-N 2.9Å; R393-L395 VanDerWaalsContact C-N 3.26Å; R393-L395 PolarHBondContact O-N 2.82Å; L395-I398 HydrophobicContact CD1-CD1 3.95Å; L395-I398 HydrophobicContact CD1-CG1 4.42Å; L395-I398 WeakPolarHBondContact O-CG1 3.34Å; L395-C399 PolarHBondContact O-N 3.02Å; L395-C399 PolarHBondContact O-SG 3.34Å; L395-L412 HydrophobicContact CD1-CD1 3.47Å; L395-L412 VanDerWaalsContact CD1-CD1 3.47Å; L395-T415 HydrophobicContact CB-CG2 4.24Å; L395-T415 HydrophobicContact CD1-CG2 4.28Å; L395-W417 HydrophobicContact CD1-CB 4.21Å; L395-W417 HydrophobicContact CD1-CG 4.37Å; L395-W417 HydrophobicContact CD2-CB 4.29Å; L395-W417 HydrophobicContact CD2-CD2 3.81Å; L395-W417 HydrophobicContact CD2-CE3 4.46Å; L395-W417 HydrophobicContact CD2-CG 3.69Å; L395-W417 HydrophobicContact CG-CG 4.48Å; L395-F603 HydrophobicContact CD1-CD2 4.12Å; L395-F603 HydrophobicContact CD1-CE2 3.51Å; L395-F603 HydrophobicContact CD1-CZ 4.43Å; L395-F603 HydrophobicContact CD2-CE2 4.29Å; L395-F603 HydrophobicContact CG-CE2 4.16Å; L395-Y608 HydrophobicContact CD2-CD1 3.79Å; L395-Y608 HydrophobicContact CD2-CD2 4.34Å; L395-Y608 HydrophobicContact CD2-CE1 3.64Å; L395-Y608 HydrophobicContact CD2-CE2 4.22Å; L395-Y608 HydrophobicContact CD2-CG 4.17Å
396	R	69.5	Low	61.2	Low	27 Å²	27	56.3 Å²	56.3	10%	0.102	28%	0.284	C	S	.	.	H	α-helix	trans	-63.5	-48.3	176.7	-43.8	-162.6	165.5	-158.9	-3.9	111.6	K124 R146 E362 L392 R393 K394 I398 C399 V400	K124-R396 VanDerWaalsContact O-CZ 3.24Å; K124-R396 PolarHBondContact O-NH1 3.23Å; K124-R396 VanDerWaalsContact O-NH1 3.12Å; K124-R396 PolarHBondContact O-NH2 2.9Å; R146-R396 VanDerWaalsContact NH2-CD 3.34Å; E362-R396 VanDerWaalsContact CD-NE 3.27Å; E362-R396 WeakPolarHBondContact OE1-CD 2.99Å; E362-R396 IonicContact OE1-CZ 3.94Å; E362-R396 IonicContact OE1-NE 2.63Å; E362-R396 PolarHBondContact OE1-NE 3.27Å; E362-R396 VanDerWaalsContact OE1-NE 3.09Å; E362-R396 IonicContact OE1-NH1 3.18Å; E362-R396 PolarHBondContact OE1-NH1 3.15Å; E362-R396 IonicContact OE1-NH2 2.93Å; E362-R396 IonicContact OE2-CZ 2.91Å; E362-R396 IonicContact OE2-NE 3.76Å; E362-R396 PolarHBondContact OE2-NE 2.88Å; E362-R396 IonicContact OE2-NH1 2.92Å; E362-R396 PolarHBondContact OE2-NH1 3.39Å; E362-R396 IonicContact OE2-NH2 2.73Å; E362-R396 PolarHBondContact OE2-NH2 3.07Å; L392-R396 WeakPolarHBondContact O-CG 3.39Å; L392-R396 PolarHBondContact O-N 2.72Å; R393-R396 WeakPolarHBondContact O-CA 3.35Å; R393-R396 VanDerWaalsContact O-CB 3.24Å; R393-R396 WeakPolarHBondContact O-CB 3.29Å; R393-R396 PolarHBondContact O-N 2.98Å; K394-R396 VanDerWaalsContact C-N 3.25Å; K394-R396 PolarHBondContact O-N 3.41Å; R396-I398 VanDerWaalsContact C-N 3.28Å; R396-I398 PolarHBondContact O-N 3.3Å; R396-C399 PolarHBondContact O-N 3.41Å; R396-C399 VanDerWaalsContact O-N 3.15Å; R396-V400 WeakPolarHBondContact O-CG2 3.38Å; R396-V400 PolarHBondContact O-N 3.28Å
397	E	69.9	Low	63.7	Low	105 Å²	105	56.9 Å²	56.9	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-57.9	-42.3	-176.1	-69	167.1	-173.7	0	0	110.7	R393 K394 V400	R393-E397 IonicContact CZ-OE1 3.38Å; R393-E397 IonicContact NE-OE1 3.81Å; R393-E397 IonicContact NH1-OE1 3.26Å; R393-E397 PolarHBondContact NH1-OE1 2.96Å; R393-E397 PolarHBondContact O-N 3.25Å; R393-E397 VanDerWaalsContact O-N 3.1Å; K394-E397 PolarHBondContact O-N 3.2Å; E397-V400 PolarHBondContact O-N 2.84Å
398	I	73.2	Confident	66.1	Low	17 Å²	17	53.9 Å²	53.9	9%	0.087	27%	0.269	C	S	.	.	H	α-helix	trans	-73.9	-27.6	179.4	67.7	165.1	0	0	0	113.8	K394 L395 R396 V400 F408 H411 L412 T415	K394-I398 PolarHBondContact O-N 3.04Å; L395-I398 HydrophobicContact CD1-CD1 3.95Å; L395-I398 HydrophobicContact CD1-CG1 4.42Å; L395-I398 WeakPolarHBondContact O-CG1 3.34Å; R396-I398 VanDerWaalsContact C-N 3.28Å; R396-I398 PolarHBondContact O-N 3.3Å; I398-V400 VanDerWaalsContact C-N 3.28Å; I398-F408 HydrophobicContact CD1-CE2 4.17Å; I398-H411 HydrophobicContact CB-CB 4.38Å; I398-H411 HydrophobicContact CG2-CB 3.46Å; I398-H411 VanDerWaalsContact CG2-CB 3.46Å; I398-L412 HydrophobicContact CD1-CB 3.85Å; I398-L412 HydrophobicContact CD1-CD1 3.75Å; I398-L412 HydrophobicContact CD1-CG 4.41Å; I398-T415 HydrophobicContact CD1-CG2 3.81Å; I398-T415 HydrophobicContact CG1-CG2 4.36Å
399	C	69.1	Low	68.4	Low	1 Å²	1	58.5 Å²	58.5	1%	0.007	29%	0.286	C	S	.	.	H	α-helix	trans	-74.9	-24.7	178.9	-68.6	0	0	0	0	112.2	F126 L395 R396 F603 R609	F126-C399 HydrophobicContact CE1-CB 4.08Å; F126-C399 HydrophobicContact CZ-CB 3.56Å; L395-C399 PolarHBondContact O-N 3.02Å; L395-C399 PolarHBondContact O-SG 3.34Å; R396-C399 PolarHBondContact O-N 3.41Å; R396-C399 VanDerWaalsContact O-N 3.15Å; C399-F603 VanDerWaalsContact SG-CZ 3.54Å; C399-R609 HydrophobicContact CB-CG 4.13Å
400	V	59	Low	70.3	Confident	30 Å²	30	61.6 Å²	61.6	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-81.6	-25.8	-179.5	169.2	0	0	0	0	111.8	Q143 D144 R396 E397 I398 Y402	Q143-V400 WeakPolarHBondContact O-CG1 3.44Å; D144-V400 HydrophobicContact CB-CG1 3.81Å; D144-V400 HydrophobicContact CB-CG2 3.86Å; R396-V400 WeakPolarHBondContact O-CG2 3.38Å; R396-V400 PolarHBondContact O-N 3.28Å; E397-V400 PolarHBondContact O-N 2.84Å; I398-V400 VanDerWaalsContact C-N 3.28Å; V400-Y402 HydrophobicContact CG1-CE2 4.32Å; V400-Y402 VanDerWaalsContact O-CD2 3.27Å; V400-Y402 WeakPolarHBondContact O-CD2 3.4Å; V400-Y402 WeakPolarHBondContact O-CE2 3.34Å; V400-Y402 PolarHBondContact O-N 3.18Å
401	A	54.3	Low	71.5	Confident	37 Å²	37	63.2 Å²	63.2	31%	0.306	31%	0.312	S	S	.	.			trans	-53.1	123.9	-176.1	0	0	0	0	0	112.4
402	Y	51.8	Low	72.3	Confident	78 Å²	78	63.9 Å²	63.9	31%	0.306	32%	0.315	S	S	.	.			trans	-89.5	135.7	178.6	-73.7	-68.5	0	0	0	110.7	S139 L142 F145 V400	S139-Y402 WeakPolarHBondContact O-CD1 3.24Å; L142-Y402 PolarHBondContact O-OH 3.33Å; F145-Y402 WeakPolarHBondContact CE2-OH 3.44Å; F145-Y402 HydrophobicContact CZ-CE1 4.48Å; F145-Y402 WeakPolarHBondContact CZ-OH 3.22Å; V400-Y402 HydrophobicContact CG1-CE2 4.32Å; V400-Y402 VanDerWaalsContact O-CD2 3.27Å; V400-Y402 WeakPolarHBondContact O-CD2 3.4Å; V400-Y402 WeakPolarHBondContact O-CE2 3.34Å; V400-Y402 PolarHBondContact O-N 3.18Å
403	G	57.1	Low	73	Confident	56 Å²	56	68 Å²	68	58%	0.577	34%	0.337	S	S	*	.	S	Bend	trans	93.7	179.6	-177.6	0	0	0	0	0	114.2	D405	G403-D405 PolarHBondContact O-N 3.18Å
404	E	63	Low	73.7	Confident	172 Å²	172	70 Å²	70	80%	0.804	35%	0.349	S	S	*	.			trans	-73.5	95.8	178.5	-168.4	-177.8	-159.6	0	0	109.9	K406	E404-K406 HydrophobicContact CG-CG 4.46Å; E404-K406 PolarHBondContact O-N 2.97Å
405	D	72	Confident	74.2	Confident	46 Å²	46	68.2 Å²	68.2	25%	0.246	34%	0.341	C	S	.	.			trans	-76.1	91.8	170.5	-178	6.5	0	0	0	109.9	G403 K407 F408 H411	G403-D405 PolarHBondContact O-N 3.18Å; D405-K407 PolarHBondContact O-N 2.94Å; D405-K407 WeakPolarHBondContact OD1-CA 3.36Å; D405-K407 PolarHBondContact OD1-N 3.17Å; D405-F408 HydrophobicContact CB-CB 4.13Å; D405-F408 VanDerWaalsContact CG-N 3.32Å; D405-F408 VanDerWaalsContact O-CB 3.25Å; D405-F408 WeakPolarHBondContact O-CB 3.47Å; D405-F408 PolarHBondContact O-N 3.04Å; D405-F408 PolarHBondContact OD1-N 3.26Å; D405-F408 WeakPolarHBondContact OD2-CA 3.36Å; D405-F408 PolarHBondContact OD2-N 3.35Å; D405-H411 IonicContact OD1-CE1 3.73Å; D405-H411 PolarHBondContact OD1-CE1 2.88Å; D405-H411 IonicContact OD1-ND1 2.8Å; D405-H411 PolarHBondContact OD1-ND1 3.09Å; D405-H411 IonicContact OD2-CE1 3.96Å; D405-H411 PolarHBondContact OD2-CE1 3.31Å; D405-H411 IonicContact OD2-CG 3.49Å; D405-H411 IonicContact OD2-ND1 3.73Å; D405-H411 PolarHBondContact OD2-ND1 2.71Å
406	K	81.2	Confident	74.8	Confident	180 Å²	180	73 Å²	73	78%	0.783	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.1	175.8	-63.3	-173.9	-179.5	-178	0	113.2	E404	E404-K406 HydrophobicContact CG-CG 4.46Å; E404-K406 PolarHBondContact O-N 2.97Å
407	K	85.8	Confident	75.6	Confident	135 Å²	135	71.7 Å²	71.7	59%	0.587	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	11.2	177.9	-65.6	-174.1	179.6	-177.2	0	112.8	D405 F409 T410 H411	D405-K407 PolarHBondContact O-N 2.94Å; D405-K407 WeakPolarHBondContact OD1-CA 3.36Å; D405-K407 PolarHBondContact OD1-N 3.17Å; K407-F409 VanDerWaalsContact C-N 3.29Å; K407-F409 PolarHBondContact O-N 2.77Å; K407-F409 VanDerWaalsContact O-N 3.12Å; K407-T410 WeakPolarHBondContact O-CA 3.29Å; K407-T410 VanDerWaalsContact O-CB 3.3Å; K407-T410 WeakPolarHBondContact O-CB 3.44Å; K407-T410 PolarHBondContact O-N 3.46Å; K407-H411 PolarHBondContact O-N 2.94Å
408	F	82.8	Confident	76.4	Confident	36 Å²	36	68.3 Å²	68.3	16%	0.158	34%	0.34	C	S	.	.	H	α-helix	trans	-48.1	-47.1	-175.8	176.5	-100.2	0	0	0	113.6	I398 D405 T410 H411 L412 F603	I398-F408 HydrophobicContact CD1-CE2 4.17Å; D405-F408 HydrophobicContact CB-CB 4.13Å; D405-F408 VanDerWaalsContact CG-N 3.32Å; D405-F408 VanDerWaalsContact O-CB 3.25Å; D405-F408 WeakPolarHBondContact O-CB 3.47Å; D405-F408 PolarHBondContact O-N 3.04Å; D405-F408 PolarHBondContact OD1-N 3.26Å; D405-F408 WeakPolarHBondContact OD2-CA 3.36Å; D405-F408 PolarHBondContact OD2-N 3.35Å; F408-T410 VanDerWaalsContact C-N 3.33Å; F408-T410 PolarHBondContact O-N 2.87Å; F408-H411 PolarHBondContact O-N 2.71Å; F408-L412 HydrophobicContact CE1-CD2 4.22Å; F408-L412 VanDerWaalsContact O-CB 3.3Å; F408-L412 WeakPolarHBondContact O-CB 3.3Å; F408-L412 PolarHBondContact O-N 2.59Å; F408-F603 HydrophobicContact CZ-CD1 4.09Å; F408-F603 HydrophobicContact CZ-CE1 4.03Å
409	F	84.9	Confident	76.9	Confident	164 Å²	164	70.3 Å²	70.3	72%	0.719	35%	0.35	S	S	*	.	H	α-helix	trans	-68	-32	179.8	-65.3	-67.2	0	0	0	113.3	K407 D413	K407-F409 VanDerWaalsContact C-N 3.29Å; K407-F409 PolarHBondContact O-N 2.77Å; K407-F409 VanDerWaalsContact O-N 3.12Å; F409-D413 PolarHBondContact O-N 3Å
410	T	87.7	Confident	77.6	Confident	78 Å²	78	72 Å²	72	48%	0.479	36%	0.358	S	S	.	.	H	α-helix	trans	-67.6	-48.8	173.2	-53.2	0	0	0	0	109.8	K407 F408 L412 D413 E414	K407-T410 WeakPolarHBondContact O-CA 3.29Å; K407-T410 VanDerWaalsContact O-CB 3.3Å; K407-T410 WeakPolarHBondContact O-CB 3.44Å; K407-T410 PolarHBondContact O-N 3.46Å; F408-T410 VanDerWaalsContact C-N 3.33Å; F408-T410 PolarHBondContact O-N 2.87Å; T410-L412 VanDerWaalsContact C-N 3.28Å; T410-L412 PolarHBondContact O-N 2.95Å; T410-D413 PolarHBondContact O-N 2.77Å; T410-E414 WeakPolarHBondContact O-CG 3.42Å; T410-E414 PolarHBondContact O-N 3.32Å
411	H	84.6	Confident	79	Confident	56 Å²	56	71.3 Å²	71.3	26%	0.259	35%	0.353	S	S	.	.	H	α-helix	trans	-63.2	-35.7	177.8	-55.7	149.3	0	0	0	112	I398 D405 K407 F408 E414 T415	I398-H411 HydrophobicContact CB-CB 4.38Å; I398-H411 HydrophobicContact CG2-CB 3.46Å; I398-H411 VanDerWaalsContact CG2-CB 3.46Å; D405-H411 IonicContact OD1-CE1 3.73Å; D405-H411 PolarHBondContact OD1-CE1 2.88Å; D405-H411 IonicContact OD1-ND1 2.8Å; D405-H411 PolarHBondContact OD1-ND1 3.09Å; D405-H411 IonicContact OD2-CE1 3.96Å; D405-H411 PolarHBondContact OD2-CE1 3.31Å; D405-H411 IonicContact OD2-CG 3.49Å; D405-H411 IonicContact OD2-ND1 3.73Å; D405-H411 PolarHBondContact OD2-ND1 2.71Å; K407-H411 PolarHBondContact O-N 2.94Å; F408-H411 PolarHBondContact O-N 2.71Å; H411-E414 IonicContact CD2-OE2 2.82Å; H411-E414 PolarHBondContact O-N 2.68Å; H411-T415 WeakPolarHBondContact O-CG2 3.33Å; H411-T415 PolarHBondContact O-N 2.93Å
412	L	84.8	Confident	80.8	Confident	13 Å²	13	69.7 Å²	69.7	7%	0.068	34%	0.34	C	S	.	.	H	α-helix	trans	-62.2	-45.1	173.3	-179.9	62.5	0	0	0	112	L395 I398 F408 T410 E414 T415 L418 F603	L395-L412 HydrophobicContact CD1-CD1 3.47Å; L395-L412 VanDerWaalsContact CD1-CD1 3.47Å; I398-L412 HydrophobicContact CD1-CB 3.85Å; I398-L412 HydrophobicContact CD1-CD1 3.75Å; I398-L412 HydrophobicContact CD1-CG 4.41Å; F408-L412 HydrophobicContact CE1-CD2 4.22Å; F408-L412 VanDerWaalsContact O-CB 3.3Å; F408-L412 WeakPolarHBondContact O-CB 3.3Å; F408-L412 PolarHBondContact O-N 2.59Å; T410-L412 VanDerWaalsContact C-N 3.28Å; T410-L412 PolarHBondContact O-N 2.95Å; L412-E414 VanDerWaalsContact C-N 3.33Å; L412-E414 PolarHBondContact O-N 3.13Å; L412-T415 WeakPolarHBondContact O-CB 3.48Å; L412-T415 WeakPolarHBondContact O-CG2 3.1Å; L412-T415 PolarHBondContact O-N 2.94Å; L412-T415 PolarHBondContact O-OG1 3.32Å; L412-L418 HydrophobicContact CD2-CD1 4.19Å; L412-F603 HydrophobicContact CD1-CD2 3.89Å; L412-F603 HydrophobicContact CD1-CE2 4.3Å; L412-F603 HydrophobicContact CD2-CB 4.03Å; L412-F603 HydrophobicContact CD2-CD2 4.47Å; L412-F603 HydrophobicContact CD2-CG 4.33Å
413	D	85.1	Confident	82.8	Confident	96 Å²	96	66.1 Å²	66.1	51%	0.513	33%	0.326	S	S	.	.	H	α-helix	trans	-62.8	-40.1	175.8	-173.8	55.8	0	0	0	111.6	F409 T410 T415 R416	F409-D413 PolarHBondContact O-N 3Å; T410-D413 PolarHBondContact O-N 2.77Å; D413-T415 PolarHBondContact O-N 3.08Å; D413-T415 VanDerWaalsContact O-N 3.14Å; D413-R416 VanDerWaalsContact O-CD 3.29Å; D413-R416 WeakPolarHBondContact O-CD 3.43Å; D413-R416 PolarHBondContact O-N 3.38Å; D413-R416 IonicContact OD1-NH1 2.65Å
414	E	85.4	Confident	84.6	Confident	104 Å²	104	66.7 Å²	66.7	49%	0.486	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-21.3	175.6	-70.8	173.5	-178.7	0	0	113.8	K394 T410 H411 L412 R416	K394-E414 WeakPolarHBondContact CD-O 3.47Å; K394-E414 PolarHBondContact NZ-O 3.27Å; T410-E414 WeakPolarHBondContact O-CG 3.42Å; T410-E414 PolarHBondContact O-N 3.32Å; H411-E414 IonicContact CD2-OE2 2.82Å; H411-E414 PolarHBondContact O-N 2.68Å; L412-E414 VanDerWaalsContact C-N 3.33Å; L412-E414 PolarHBondContact O-N 3.13Å; E414-R416 VanDerWaalsContact C-N 3.28Å
415	T	82.4	Confident	86.2	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.006	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-26.5	171.8	78.2	0	0	0	0	112.4	S391 K394 L395 I398 H411 L412 D413 W417	S391-T415 VanDerWaalsContact CA-O 3.29Å; S391-T415 WeakPolarHBondContact CA-O 3.19Å; S391-T415 WeakPolarHBondContact CB-O 3.35Å; S391-T415 PolarHBondContact OG-O 3.21Å; K394-T415 HydrophobicContact CB-CG2 3.81Å; L395-T415 HydrophobicContact CB-CG2 4.24Å; L395-T415 HydrophobicContact CD1-CG2 4.28Å; I398-T415 HydrophobicContact CD1-CG2 3.81Å; I398-T415 HydrophobicContact CG1-CG2 4.36Å; H411-T415 WeakPolarHBondContact O-CG2 3.33Å; H411-T415 PolarHBondContact O-N 2.93Å; L412-T415 WeakPolarHBondContact O-CB 3.48Å; L412-T415 WeakPolarHBondContact O-CG2 3.1Å; L412-T415 PolarHBondContact O-N 2.94Å; L412-T415 PolarHBondContact O-OG1 3.32Å; D413-T415 PolarHBondContact O-N 3.08Å; D413-T415 VanDerWaalsContact O-N 3.14Å; T415-W417 PolarHBondContact O-N 3.42Å; T415-W417 VanDerWaalsContact OG1-CB 3.32Å; T415-W417 WeakPolarHBondContact OG1-CB 3.35Å; T415-W417 PolarHBondContact OG1-N 3.1Å
416	R	86.4	Confident	87.5	Confident	101 Å²	101	56.5 Å²	56.5	38%	0.381	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	12.8	-170.4	-51.6	-64.3	-68.9	163.4	8.7	114.2	D413 E414 L418 D419 H420	D413-R416 VanDerWaalsContact O-CD 3.29Å; D413-R416 WeakPolarHBondContact O-CD 3.43Å; D413-R416 PolarHBondContact O-N 3.38Å; D413-R416 IonicContact OD1-NH1 2.65Å; E414-R416 VanDerWaalsContact C-N 3.28Å; R416-L418 VanDerWaalsContact C-N 3.34Å; R416-L418 PolarHBondContact O-N 3.27Å; R416-D419 VanDerWaalsContact CZ-CG 3.45Å; R416-D419 IonicContact CZ-OD2 2.97Å; R416-D419 IonicContact NE-OD2 3.81Å; R416-D419 PolarHBondContact NE-OD2 3.22Å; R416-D419 VanDerWaalsContact NE-OD2 3.1Å; R416-D419 IonicContact NH1-OD2 2.68Å; R416-D419 PolarHBondContact NH1-OD2 2.61Å; R416-D419 VanDerWaalsContact NH2-CG 3.34Å; R416-D419 IonicContact NH2-OD1 3.96Å; R416-D419 IonicContact NH2-OD2 3.62Å; R416-D419 PolarHBondContact NH2-OD2 3.05Å; R416-D419 VanDerWaalsContact NH2-OD2 3.13Å; R416-D419 PolarHBondContact O-N 3.35Å; R416-H420 PolarHBondContact O-CD2 3.4Å; R416-H420 PolarHBondContact O-N 3.17Å; R416-H420 VanDerWaalsContact O-N 3.13Å
417	W	86.7	Confident	88.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-45	-174.2	179	-101.6	0	0	0	112	S391 L392 L395 T415 D419 H420 L421 P505 L508 Q509 D512 Y608	S391-W417 WeakPolarHBondContact OG-CA 3.4Å; S391-W417 PolarHBondContact OG-N 3.24Å; L392-W417 HydrophobicContact CB-CE3 4.22Å; L392-W417 HydrophobicContact CB-CH2 4.5Å; L392-W417 HydrophobicContact CB-CZ3 3.74Å; L392-W417 HydrophobicContact CD1-CE3 4.38Å; L392-W417 HydrophobicContact CD1-CH2 4.03Å; L392-W417 HydrophobicContact CD1-CZ3 3.96Å; L392-W417 HydrophobicContact CG-CZ3 4.34Å; L395-W417 HydrophobicContact CD1-CB 4.21Å; L395-W417 HydrophobicContact CD1-CG 4.37Å; L395-W417 HydrophobicContact CD2-CB 4.29Å; L395-W417 HydrophobicContact CD2-CD2 3.81Å; L395-W417 HydrophobicContact CD2-CE3 4.46Å; L395-W417 HydrophobicContact CD2-CG 3.69Å; L395-W417 HydrophobicContact CG-CG 4.48Å; T415-W417 PolarHBondContact O-N 3.42Å; T415-W417 VanDerWaalsContact OG1-CB 3.32Å; T415-W417 WeakPolarHBondContact OG1-CB 3.35Å; T415-W417 PolarHBondContact OG1-N 3.1Å; W417-D419 VanDerWaalsContact C-N 3.32Å; W417-D419 PolarHBondContact O-N 2.98Å; W417-H420 PolarHBondContact O-N 3.26Å; W417-L421 PolarHBondContact O-N 3.38Å; W417-P505 HydrophobicContact CH2-CB 4.28Å; W417-P505 HydrophobicContact CH2-CG 4.04Å; W417-P505 HydrophobicContact CZ3-CG 4.07Å; W417-L508 HydrophobicContact CH2-CD2 4.43Å; W417-L508 HydrophobicContact CZ2-CG 4.37Å; W417-Q509 HydrophobicContact CH2-CG 3.43Å; W417-Q509 VanDerWaalsContact CH2-CG 3.43Å; W417-Q509 HydrophobicContact CZ2-CG 3.83Å; W417-Q509 HydrophobicContact CZ3-CG 4.04Å; W417-D512 PolarHBondContact NE1-OD2 2.98Å; W417-Y608 AromaticContact CE2-CZ 4Å; W417-Y608 VanDerWaalsContact CE2-OH 3.29Å; W417-Y608 WeakPolarHBondContact CZ2-OH 3.45Å; W417-Y608 AromaticContact NE1-CE2 3.98Å; W417-Y608 AromaticContact NE1-CZ 3.65Å; W417-Y608 PolarHBondContact NE1-OH 3.05Å; W417-Y608 VanDerWaalsContact NE1-OH 3.11Å
418	L	86.2	Confident	88.8	Confident	34 Å²	34	47.7 Å²	47.7	18%	0.178	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-31.8	-179.6	-58.7	-175.1	0	0	0	112.4	L412 R416 H420 L421 I601	L412-L418 HydrophobicContact CD2-CD1 4.19Å; R416-L418 VanDerWaalsContact C-N 3.34Å; R416-L418 PolarHBondContact O-N 3.27Å; L418-H420 VanDerWaalsContact C-N 3.28Å; L418-H420 PolarHBondContact O-N 3.5Å; L418-L421 HydrophobicContact CD2-CD1 4.25Å; L418-L421 PolarHBondContact O-N 3.31Å; L418-I601 HydrophobicContact CB-CG2 4.19Å; L418-I601 HydrophobicContact CD1-CG2 4.39Å; L418-I601 HydrophobicContact CD2-CG2 3.92Å; L418-I601 HydrophobicContact CG-CG2 4.39Å
419	D	84.3	Confident	89.5	Confident	59 Å²	59	46 Å²	46	32%	0.316	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-26.7	175.7	-55.7	-59.4	0	0	0	112.5	R416 W417 L421	R416-D419 VanDerWaalsContact CZ-CG 3.45Å; R416-D419 IonicContact CZ-OD2 2.97Å; R416-D419 IonicContact NE-OD2 3.81Å; R416-D419 PolarHBondContact NE-OD2 3.22Å; R416-D419 VanDerWaalsContact NE-OD2 3.1Å; R416-D419 IonicContact NH1-OD2 2.68Å; R416-D419 PolarHBondContact NH1-OD2 2.61Å; R416-D419 VanDerWaalsContact NH2-CG 3.34Å; R416-D419 IonicContact NH2-OD1 3.96Å; R416-D419 IonicContact NH2-OD2 3.62Å; R416-D419 PolarHBondContact NH2-OD2 3.05Å; R416-D419 VanDerWaalsContact NH2-OD2 3.13Å; R416-D419 PolarHBondContact O-N 3.35Å; W417-D419 VanDerWaalsContact C-N 3.32Å; W417-D419 PolarHBondContact O-N 2.98Å; D419-L421 VanDerWaalsContact C-N 3.31Å
420	H	84.3	Confident	90.1	Very high	36 Å²	36	38.2 Å²	38.2	17%	0.167	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-2.4	179.1	-68.7	-40.4	0	0	0	113.7	M360 R416 W417 L418 V422	M360-H420 HydrophobicContact CE-CB 3.74Å; M360-H420 HydrophobicContact SD-CB 3.72Å; R416-H420 PolarHBondContact O-CD2 3.4Å; R416-H420 PolarHBondContact O-N 3.17Å; R416-H420 VanDerWaalsContact O-N 3.13Å; W417-H420 PolarHBondContact O-N 3.26Å; L418-H420 VanDerWaalsContact C-N 3.28Å; L418-H420 PolarHBondContact O-N 3.5Å; H420-V422 PolarHBondContact O-N 3.37Å
421	L	88.1	Confident	90.5	Very high	15 Å²	15	37 Å²	37	8%	0.079	18%	0.183	C	C	.	.			trans	-66.1	126.5	170.1	-64.3	-178.2	0	0	0	109.9	W417 L418 D419 L423 D512 Q516 I601	W417-L421 PolarHBondContact O-N 3.38Å; L418-L421 HydrophobicContact CD2-CD1 4.25Å; L418-L421 PolarHBondContact O-N 3.31Å; D419-L421 VanDerWaalsContact C-N 3.31Å; L421-L423 PolarHBondContact O-N 2.97Å; L421-L423 VanDerWaalsContact O-N 3.12Å; L421-D512 HydrophobicContact CD2-CB 3.95Å; L421-Q516 HydrophobicContact CD1-CG 3.98Å; L421-I601 HydrophobicContact CD1-CG2 3.75Å
422	V	92.9	Very high	91	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.024	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	11.7	-170.8	-55.7	0	0	0	0	114	I354 H420 C424 G425 A426 Q453 L457	I354-V422 HydrophobicContact CB-CG1 4.46Å; I354-V422 HydrophobicContact CD1-CB 3.84Å; I354-V422 HydrophobicContact CD1-CG1 3.8Å; I354-V422 HydrophobicContact CG1-CB 4.49Å; I354-V422 HydrophobicContact CG1-CG1 4.11Å; I354-V422 HydrophobicContact CG2-CG1 3.51Å; H420-V422 PolarHBondContact O-N 3.37Å; V422-C424 VanDerWaalsContact C-N 3.28Å; V422-C424 PolarHBondContact O-N 3.15Å; V422-G425 PolarHBondContact O-N 2.99Å; V422-G425 VanDerWaalsContact O-N 3.12Å; V422-A426 PolarHBondContact O-N 3.35Å; V422-Q453 HydrophobicContact CG2-CB 3.72Å; V422-Q453 HydrophobicContact CG2-CG 4.48Å; V422-L457 HydrophobicContact CG2-CD1 3.61Å
423	L	93.9	Very high	91.5	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-58.1	-39	-173.9	-168.1	68.6	0	0	0	112.4	L421 A426 A427 M461 C513 Q516 L517 P594 I601	L421-L423 PolarHBondContact O-N 2.97Å; L421-L423 VanDerWaalsContact O-N 3.12Å; L423-A426 PolarHBondContact O-N 2.81Å; L423-A427 PolarHBondContact O-N 3.48Å; L423-M461 HydrophobicContact CD1-CE 3.43Å; L423-M461 VanDerWaalsContact CD1-CE 3.43Å; L423-M461 HydrophobicContact CG-CE 4.29Å; L423-C513 HydrophobicContact CD1-CB 4.29Å; L423-Q516 HydrophobicContact CD2-CB 4.09Å; L423-L517 HydrophobicContact CD1-CD1 4.25Å; L423-L517 HydrophobicContact CD1-CD2 4.14Å; L423-L517 HydrophobicContact CD1-CG 3.92Å; L423-P594 HydrophobicContact CD1-CG 4.06Å; L423-P594 HydrophobicContact CD2-CB 3.88Å; L423-P594 HydrophobicContact CD2-CG 4.09Å; L423-P594 HydrophobicContact CG-CB 4.23Å; L423-P594 HydrophobicContact CG-CG 3.87Å; L423-I601 HydrophobicContact CD2-CD1 3.8Å
424	C	95	Very high	91.9	Very high	68 Å²	68	35.7 Å²	35.7	46%	0.459	17%	0.169	S	C	.	.	H	α-helix	trans	-63.9	-42.3	177.4	-170.9	0	0	0	0	112.3	V422 A426 A427 R428 C596	V422-C424 VanDerWaalsContact C-N 3.28Å; V422-C424 PolarHBondContact O-N 3.15Å; C424-A426 VanDerWaalsContact C-N 3.33Å; C424-A426 PolarHBondContact O-N 3.33Å; C424-A427 PolarHBondContact O-N 2.82Å; C424-R428 WeakPolarHBondContact O-CG 3.33Å; C424-R428 PolarHBondContact O-N 3.17Å; C424-C596 WeakPolarHBondContact CA-SG 3.41Å; C424-C596 HydrophobicContact CB-CB 3.82Å
425	G	96.5	Very high	92.2	Very high	5 Å²	5	35.3 Å²	35.3	5%	0.052	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-42.1	175.7	0	0	0	0	0	112	V422 R428 I429	V422-G425 PolarHBondContact O-N 2.99Å; V422-G425 VanDerWaalsContact O-N 3.12Å; G425-R428 PolarHBondContact O-N 3.03Å; G425-I429 WeakPolarHBondContact O-CG1 3.45Å; G425-I429 PolarHBondContact O-N 3.23Å
426	A	98.2	Very high	92.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.7	-44	174.9	0	0	0	0	0	112.1	V422 L423 C424 R428 I429 V430 L454 L457 M461	V422-A426 PolarHBondContact O-N 3.35Å; L423-A426 PolarHBondContact O-N 2.81Å; C424-A426 VanDerWaalsContact C-N 3.33Å; C424-A426 PolarHBondContact O-N 3.33Å; A426-R428 VanDerWaalsContact C-N 3.29Å; A426-R428 PolarHBondContact O-N 3.27Å; A426-I429 WeakPolarHBondContact O-CB 3.43Å; A426-I429 PolarHBondContact O-N 3.02Å; A426-I429 VanDerWaalsContact O-N 3.09Å; A426-V430 WeakPolarHBondContact O-CG2 3.42Å; A426-V430 PolarHBondContact O-N 3.09Å; A426-L454 HydrophobicContact CB-CD2 4.38Å; A426-L457 HydrophobicContact CB-CB 3.49Å; A426-L457 VanDerWaalsContact CB-CB 3.49Å; A426-L457 HydrophobicContact CB-CD1 4.25Å; A426-M461 HydrophobicContact CB-CE 3.76Å
427	A	97	Very high	93	Very high	15 Å²	15	38.8 Å²	38.8	12%	0.124	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-38.1	176.7	0	0	0	0	0	112.5	L423 C424 I429 V430 D431 P594	L423-A427 PolarHBondContact O-N 3.48Å; C424-A427 PolarHBondContact O-N 2.82Å; A427-I429 PolarHBondContact O-N 3.13Å; A427-V430 PolarHBondContact O-N 3.13Å; A427-D431 WeakPolarHBondContact O-CB 3.35Å; A427-D431 PolarHBondContact O-N 2.93Å; A427-P594 HydrophobicContact CB-CG 4.21Å
428	R	97.3	Very high	93.4	Very high	115 Å²	115	39.1 Å²	39.1	43%	0.434	19%	0.193	S	C	.	.	H	α-helix	trans	-64.6	-36.4	174.2	-70.2	175.8	70.6	172.3	2.9	112.9	C424 G425 A426 K432	C424-R428 WeakPolarHBondContact O-CG 3.33Å; C424-R428 PolarHBondContact O-N 3.17Å; G425-R428 PolarHBondContact O-N 3.03Å; A426-R428 VanDerWaalsContact C-N 3.29Å; A426-R428 PolarHBondContact O-N 3.27Å; R428-K432 PolarHBondContact O-N 3.02Å
429	I	98.2	Very high	93.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-47.5	173.4	-68.7	159.6	0	0	0	110.2	L282 M320 L352 G425 A426 A427 D431 K432 I433 V440 V442 L454 A458	L282-I429 HydrophobicContact CD1-CG2 3.68Å; M320-I429 HydrophobicContact CB-CG1 4.27Å; M320-I429 HydrophobicContact CG-CG1 3.96Å; L352-I429 HydrophobicContact CD1-CD1 4.45Å; G425-I429 WeakPolarHBondContact O-CG1 3.45Å; G425-I429 PolarHBondContact O-N 3.23Å; A426-I429 WeakPolarHBondContact O-CB 3.43Å; A426-I429 PolarHBondContact O-N 3.02Å; A426-I429 VanDerWaalsContact O-N 3.09Å; A427-I429 PolarHBondContact O-N 3.13Å; I429-D431 VanDerWaalsContact C-N 3.33Å; I429-D431 PolarHBondContact O-N 3.39Å; I429-K432 PolarHBondContact O-N 2.86Å; I429-I433 HydrophobicContact CG2-CD1 4.02Å; I429-I433 PolarHBondContact O-N 3.06Å; I429-I433 VanDerWaalsContact O-N 3.14Å; I429-V440 HydrophobicContact CG1-CG1 4.37Å; I429-V440 HydrophobicContact CG2-CB 4.44Å; I429-V440 HydrophobicContact CG2-CG1 4.12Å; I429-V442 HydrophobicContact CD1-CG1 4.34Å; I429-V442 HydrophobicContact CD1-CG2 3.63Å; I429-V442 HydrophobicContact CG1-CG2 4.18Å; I429-L454 HydrophobicContact CD1-CB 3.77Å; I429-L454 HydrophobicContact CD1-CD1 4.32Å; I429-L454 HydrophobicContact CD1-CD2 4.02Å; I429-L454 HydrophobicContact CD1-CG 4.27Å; I429-A458 HydrophobicContact CB-CB 4.26Å; I429-A458 HydrophobicContact CG2-CB 3.77Å
430	V	97.3	Very high	94.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.3	-43.7	179.8	175.9	0	0	0	0	111	A426 A427 K432 I433 Y434 A458 M461 L462 V591 I593	A426-V430 WeakPolarHBondContact O-CG2 3.42Å; A426-V430 PolarHBondContact O-N 3.09Å; A427-V430 PolarHBondContact O-N 3.13Å; V430-K432 PolarHBondContact O-N 2.99Å; V430-I433 PolarHBondContact O-N 3.19Å; V430-Y434 VanDerWaalsContact O-CB 3.28Å; V430-Y434 WeakPolarHBondContact O-CB 3.38Å; V430-Y434 PolarHBondContact O-N 2.78Å; V430-A458 HydrophobicContact CG2-CB 3.97Å; V430-M461 HydrophobicContact CG1-CB 4.34Å; V430-M461 HydrophobicContact CG2-CB 3.59Å; V430-M461 HydrophobicContact CG2-CG 4.29Å; V430-M461 HydrophobicContact CG2-SD 3.77Å; V430-L462 HydrophobicContact CG1-CD2 3.85Å; V430-L462 HydrophobicContact CG1-CG 4.11Å; V430-L462 HydrophobicContact CG2-CD1 4.34Å; V430-L462 HydrophobicContact CG2-CG 4.1Å; V430-V591 HydrophobicContact CG1-CG1 3.79Å; V430-I593 HydrophobicContact CB-CD1 4.37Å; V430-I593 HydrophobicContact CG1-CD1 3.51Å
431	D	95.5	Very high	95.2	Very high	52 Å²	52	33 Å²	33	28%	0.278	16%	0.162	S	C	.	.	H	α-helix	trans	-56.8	-47.7	176.9	179.7	62.1	0	0	0	112.2	A427 I429 I433 N435 Y436	A427-D431 WeakPolarHBondContact O-CB 3.35Å; A427-D431 PolarHBondContact O-N 2.93Å; I429-D431 VanDerWaalsContact C-N 3.33Å; I429-D431 PolarHBondContact O-N 3.39Å; D431-I433 VanDerWaalsContact C-N 3.34Å; D431-I433 PolarHBondContact O-N 3.25Å; D431-N435 WeakPolarHBondContact O-CB 3.32Å; D431-N435 PolarHBondContact O-N 3.45Å; D431-N435 PolarHBondContact OD1-ND2 3.28Å; D431-Y436 PolarHBondContact O-N 3.36Å; D431-Y436 WeakPolarHBondContact OD2-CE2 3.34Å
432	K	95.7	Very high	95.8	Very high	38 Å²	38	32.3 Å²	32.3	17%	0.165	16%	0.158	C	C	.	.	H	α-helix	trans	-63.1	-36.8	176.8	-67.2	-50.1	-176.7	174.4	0	113.8	Y318 M320 R428 I429 V430 Y436 T438 V440	Y318-K432 HydrophobicContact CD1-CD 4.24Å; Y318-K432 HydrophobicContact CD1-CG 4.26Å; Y318-K432 HydrophobicContact CD2-CB 4.45Å; Y318-K432 HydrophobicContact CD2-CD 4.29Å; Y318-K432 HydrophobicContact CD2-CG 4.34Å; Y318-K432 HydrophobicContact CE1-CD 3.91Å; Y318-K432 VanDerWaalsContact CE1-CE 3.45Å; Y318-K432 HydrophobicContact CE1-CG 4.43Å; Y318-K432 HydrophobicContact CE2-CD 3.98Å; Y318-K432 HydrophobicContact CG-CD 4.4Å; Y318-K432 HydrophobicContact CG-CG 4.19Å; Y318-K432 PolarHBondContact OH-NZ 2.59Å; Y318-K432 VanDerWaalsContact OH-NZ 3.07Å; M320-K432 HydrophobicContact CE-CB 4.22Å; M320-K432 HydrophobicContact CE-CG 3.42Å; M320-K432 VanDerWaalsContact CE-CG 3.42Å; R428-K432 PolarHBondContact O-N 3.02Å; I429-K432 PolarHBondContact O-N 2.86Å; V430-K432 PolarHBondContact O-N 2.99Å; K432-Y436 HydrophobicContact CD-CD2 3.85Å; K432-Y436 HydrophobicContact CD-CE2 4.26Å; K432-Y436 HydrophobicContact CD-CG 4.42Å; K432-Y436 WeakPolarHBondContact O-CB 3.17Å; K432-T438 PolarHBondContact O-N 3.2Å; K432-T438 VanDerWaalsContact O-N 3.11Å; K432-T438 PolarHBondContact O-OG1 2.95Å; K432-V440 HydrophobicContact CB-CG2 3.88Å
433	I	95.4	Very high	96	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-74.1	-52.3	178.5	-69.5	175.9	0	0	0	110.7	W273 A280 L282 I429 V430 D431 S437 V440 L462	W273-I433 HydrophobicContact CZ3-CG2 3.87Å; A280-I433 HydrophobicContact CB-CG2 4.12Å; L282-I433 HydrophobicContact CB-CD1 3.92Å; L282-I433 HydrophobicContact CD1-CD1 4.02Å; L282-I433 HydrophobicContact CG-CD1 4.42Å; I429-I433 HydrophobicContact CG2-CD1 4.02Å; I429-I433 PolarHBondContact O-N 3.06Å; I429-I433 VanDerWaalsContact O-N 3.14Å; V430-I433 PolarHBondContact O-N 3.19Å; D431-I433 VanDerWaalsContact C-N 3.34Å; D431-I433 PolarHBondContact O-N 3.25Å; I433-S437 VanDerWaalsContact O-CA 3.26Å; I433-S437 WeakPolarHBondContact O-CA 3.26Å; I433-S437 PolarHBondContact O-N 2.96Å; I433-V440 HydrophobicContact CD1-CB 4.3Å; I433-V440 HydrophobicContact CD1-CG2 4.17Å; I433-V440 HydrophobicContact CG1-CB 4.28Å; I433-V440 HydrophobicContact CG1-CG2 3.65Å; I433-L462 HydrophobicContact CB-CD1 4.39Å; I433-L462 HydrophobicContact CB-CD2 4.48Å; I433-L462 HydrophobicContact CD1-CD1 3.88Å; I433-L462 HydrophobicContact CG2-CD1 4.1Å; I433-L462 HydrophobicContact CG2-CD2 4.02Å
434	Y	93	Very high	96.2	Very high	99 Å²	99	32.1 Å²	32.1	39%	0.388	16%	0.157	S	C	.	.	H	α-helix	trans	-79.9	-50.5	-169.5	-175.4	-109	0	0	0	112.7	V430 V591	V430-Y434 VanDerWaalsContact O-CB 3.28Å; V430-Y434 WeakPolarHBondContact O-CB 3.38Å; V430-Y434 PolarHBondContact O-N 2.78Å; Y434-V591 HydrophobicContact CD1-CG1 4.36Å; Y434-V591 HydrophobicContact CD2-CB 4.32Å; Y434-V591 HydrophobicContact CD2-CG1 4.41Å; Y434-V591 HydrophobicContact CD2-CG2 3.59Å; Y434-V591 HydrophobicContact CE2-CB 4.2Å; Y434-V591 HydrophobicContact CE2-CG2 3.51Å; Y434-V591 HydrophobicContact CG-CG1 4.2Å; Y434-V591 HydrophobicContact CG-CG2 4.22Å
435	N	91.6	Very high	96.4	Very high	95 Å²	95	29.4 Å²	29.4	51%	0.508	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-34.3	-175.2	-67.1	-34.5	0	0	0	112.6	D431	D431-N435 WeakPolarHBondContact O-CB 3.32Å; D431-N435 PolarHBondContact O-N 3.45Å; D431-N435 PolarHBondContact OD1-ND2 3.28Å
436	Y	92.4	Very high	96.4	Very high	134 Å²	134	31 Å²	31	53%	0.525	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-1.7	-177.8	-62.6	-88.6	0	0	0	114.2	D431 K432 T438	D431-Y436 PolarHBondContact O-N 3.36Å; D431-Y436 WeakPolarHBondContact OD2-CE2 3.34Å; K432-Y436 HydrophobicContact CD-CD2 3.85Å; K432-Y436 HydrophobicContact CD-CE2 4.26Å; K432-Y436 HydrophobicContact CD-CG 4.42Å; K432-Y436 WeakPolarHBondContact O-CB 3.17Å; Y436-T438 VanDerWaalsContact O-CG2 3.29Å; Y436-T438 WeakPolarHBondContact O-CG2 3.41Å; Y436-T438 PolarHBondContact O-N 3.47Å; Y436-T438 VanDerWaalsContact O-N 3.12Å
437	S	93.1	Very high	96.4	Very high	41 Å²	41	31 Å²	31	29%	0.287	15%	0.146	S	C	.	.			trans	52.7	32.2	-178.5	-63.8	0	0	0	0	113.8	N311 I433	N311-S437 PolarHBondContact ND2-O 3.14Å; I433-S437 VanDerWaalsContact O-CA 3.26Å; I433-S437 WeakPolarHBondContact O-CA 3.26Å; I433-S437 PolarHBondContact O-N 2.96Å
438	T	94.8	Very high	96.4	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.043	14%	0.14	C	C	.	.			trans	-102.5	149.6	-176.7	62.7	0	0	0	0	112.2	A280 S314 Y318 K432 Y436	A280-T438 WeakPolarHBondContact CB-O 3Å; S314-T438 WeakPolarHBondContact OG-CG2 3.5Å; Y318-T438 HydrophobicContact CD2-CG2 4.18Å; Y318-T438 WeakPolarHBondContact CD2-OG1 3.45Å; Y318-T438 HydrophobicContact CE2-CG2 3.89Å; K432-T438 PolarHBondContact O-N 3.2Å; K432-T438 VanDerWaalsContact O-N 3.11Å; K432-T438 PolarHBondContact O-OG1 2.95Å; Y436-T438 VanDerWaalsContact O-CG2 3.29Å; Y436-T438 WeakPolarHBondContact O-CG2 3.41Å; Y436-T438 PolarHBondContact O-N 3.47Å; Y436-T438 VanDerWaalsContact O-N 3.12Å
439	S	97.2	Very high	96.5	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	147.4	170	-66.2	0	0	0	0	110	S281 N311 Y318	S281-S439 PolarHBondContact N-OG 3.01Å; S281-S439 VanDerWaalsContact N-OG 3.11Å; S281-S439 CarbonylContact O-C 3.48Å; S281-S439 VanDerWaalsContact O-CA 3.25Å; S281-S439 WeakPolarHBondContact O-CA 3.5Å; S281-S439 WeakPolarHBondContact OG-CB 3.31Å; S281-S439 PolarHBondContact OG-OG 2.96Å; S281-S439 VanDerWaalsContact OG-OG 3.11Å; N311-S439 PolarHBondContact ND2-N 3.22Å; Y318-S439 PolarHBondContact N-O 3.22Å
440	V	98.5	Very high	96.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.8	-179.2	-179.6	0	0	0	0	110.2	S281 L282 S283 Y318 M320 I429 K432 I433 V442	S281-V440 PolarHBondContact O-N 3.33Å; L282-V440 WeakPolarHBondContact CA-O 3.44Å; L282-V440 HydrophobicContact CD1-CB 4.12Å; L282-V440 HydrophobicContact CD1-CG1 4.24Å; S283-V440 PolarHBondContact N-O 3.38Å; Y318-V440 CarbonylContact O-C 3.58Å; Y318-V440 VanDerWaalsContact O-CA 3.3Å; Y318-V440 WeakPolarHBondContact O-CA 3.5Å; M320-V440 HydrophobicContact CB-CG1 4.17Å; M320-V440 HydrophobicContact CG-CG1 3.47Å; M320-V440 VanDerWaalsContact CG-CG1 3.47Å; I429-V440 HydrophobicContact CG1-CG1 4.37Å; I429-V440 HydrophobicContact CG2-CB 4.44Å; I429-V440 HydrophobicContact CG2-CG1 4.12Å; K432-V440 HydrophobicContact CB-CG2 3.88Å; I433-V440 HydrophobicContact CD1-CB 4.3Å; I433-V440 HydrophobicContact CD1-CG2 4.17Å; I433-V440 HydrophobicContact CG1-CB 4.28Å; I433-V440 HydrophobicContact CG1-CG2 3.65Å; V440-V442 HydrophobicContact CG1-CG2 3.99Å
441	L	98.8	Very high	96.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.9	166.4	172.8	57.8	0	0	0	109.3	P269 S283 L304 L317 Y318 I319 M320	P269-L441 HydrophobicContact CB-CD1 3.79Å; P269-L441 HydrophobicContact CB-CD2 4.24Å; P269-L441 HydrophobicContact CG-CD1 4.36Å; P269-L441 HydrophobicContact CG-CD2 4.09Å; S283-L441 CarbonylContact O-C 3.58Å; S283-L441 WeakPolarHBondContact O-CA 3.41Å; L304-L441 HydrophobicContact CD1-CD2 4.3Å; L304-L441 HydrophobicContact CD2-CD2 3.82Å; L317-L441 HydrophobicContact CD1-CB 4.2Å; L317-L441 HydrophobicContact CD2-CB 4.29Å; L317-L441 HydrophobicContact CG-CB 4.45Å; Y318-L441 PolarHBondContact O-N 2.83Å; I319-L441 CarbonylContact C-O 3.5Å; I319-L441 WeakPolarHBondContact CA-O 3.45Å; I319-L441 HydrophobicContact CG1-CB 4.36Å; I319-L441 HydrophobicContact CG1-CD2 4.45Å; M320-L441 PolarHBondContact N-O 2.98Å
442	V	98.9	Very high	96.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.2	176	-173.4	0	0	0	0	109.9	L282 S283 R284 S285 M320 I429 V440 T451 L454 T455	L282-V442 HydrophobicContact CD1-CG2 3.66Å; S283-V442 PolarHBondContact O-N 3.41Å; R284-V442 VanDerWaalsContact CA-O 3.3Å; R284-V442 WeakPolarHBondContact CA-O 3.35Å; S285-V442 PolarHBondContact N-O 3.05Å; M320-V442 HydrophobicContact CB-CG2 4.36Å; I429-V442 HydrophobicContact CD1-CG1 4.34Å; I429-V442 HydrophobicContact CD1-CG2 3.63Å; I429-V442 HydrophobicContact CG1-CG2 4.18Å; V440-V442 HydrophobicContact CG1-CG2 3.99Å; V442-T451 HydrophobicContact CB-CG2 4.44Å; V442-T451 HydrophobicContact CG1-CG2 4.16Å; V442-L454 HydrophobicContact CG1-CB 3.88Å; V442-L454 HydrophobicContact CG1-CD1 3.7Å; V442-L454 HydrophobicContact CG1-CG 4.48Å; V442-T455 HydrophobicContact CB-CG2 4Å; V442-T455 HydrophobicContact CG1-CG2 4.36Å; V442-T455 HydrophobicContact CG2-CG2 4.21Å
443	H	98.8	Very high	96.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	175.2	169.3	70.4	89.7	0	0	0	111.4	S285 I319 M320 D321 A322 E339 T451	S285-H443 VanDerWaalsContact O-CB 3.23Å; S285-H443 WeakPolarHBondContact O-CB 3.28Å; S285-H443 WeakPolarHBondContact OG-CB 3.19Å; I319-H443 VanDerWaalsContact CG2-CD2 3.46Å; I319-H443 WeakPolarHBondContact CG2-CD2 3.44Å; I319-H443 WeakPolarHBondContact CG2-NE2 3.48Å; M320-H443 PolarHBondContact O-N 3.36Å; D321-H443 IonicContact OD2-CE1 2.8Å; D321-H443 PolarHBondContact OD2-CE1 3.48Å; A322-H443 PolarHBondContact N-O 3.08Å; E339-H443 IonicContact OE1-NE2 3.53Å; E339-H443 IonicContact OE2-CE1 3.73Å; E339-H443 IonicContact OE2-NE2 3.72Å; E339-H443 PolarHBondContact OE2-NE2 3.5Å; H443-T451 VanDerWaalsContact C-OG1 3.27Å; H443-T451 WeakPolarHBondContact CA-OG1 3.17Å
444	C	97.7	Very high	97	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.014	11%	0.105	C	C	.	.			trans	-140.2	-141.7	167.2	60.5	0	0	0	0	106.9	Q287 A322 R323 G447 R450 T451	Q287-C444 WeakPolarHBondContact CB-O 3.35Å; Q287-C444 PolarHBondContact N-O 2.89Å; A322-C444 HydrophobicContact CB-CB 3.83Å; R323-C444 HydrophobicContact CG-CB 4.31Å; C444-G447 PolarHBondContact SG-N 3.46Å; C444-R450 HydrophobicContact CB-CB 4.26Å; C444-T451 PolarHBondContact N-OG1 2.65Å; C444-T451 PolarHBondContact SG-OG1 3.35Å
445	S	97.9	Very high	97.3	Very high	12 Å²	12	17.4 Å²	17.4	8%	0.084	9%	0.087	C	C	.	.	S	Bend	trans	-66.4	-57.9	168.4	-65.2	0	0	0	0	110.9	Q287 R323 N331	Q287-S445 VanDerWaalsContact CG-O 3.25Å; Q287-S445 WeakPolarHBondContact CG-O 3.23Å; Q287-S445 PolarHBondContact N-O 2.82Å; Q287-S445 VanDerWaalsContact N-O 3.1Å; R323-S445 WeakPolarHBondContact CD-OG 3.43Å; R323-S445 PolarHBondContact NH1-OG 3.38Å; N331-S445 PolarHBondContact ND2-OG 3.5Å; N331-S445 PolarHBondContact OD1-OG 3.18Å; N331-S445 VanDerWaalsContact OD1-OG 3.06Å
446	D	97.6	Very high	97.6	Very high	37 Å²	37	12.9 Å²	12.9	20%	0.198	6%	0.063	C	C	.	.	S	Bend	trans	-109.2	-14.2	-165.5	-63.5	-26	0	0	0	113.9	R265 R267 W448	R265-D446 IonicContact CZ-OD1 3.64Å; R265-D446 IonicContact CZ-OD2 2.74Å; R265-D446 IonicContact NH1-OD1 3.21Å; R265-D446 PolarHBondContact NH1-OD1 3.04Å; R265-D446 IonicContact NH1-OD2 2.97Å; R265-D446 PolarHBondContact NH1-OD2 3.48Å; R265-D446 IonicContact NH2-OD1 3.39Å; R265-D446 IonicContact NH2-OD2 3.53Å; R267-D446 WeakPolarHBondContact CD-O 3.42Å; R267-D446 PolarHBondContact NE-O 2.99Å; D446-W448 HydrophobicContact CB-CD2 3.86Å; D446-W448 HydrophobicContact CB-CE3 4.37Å; D446-W448 HydrophobicContact CB-CG 4.3Å; D446-W448 HydrophobicContact CB-CZ2 4.03Å; D446-W448 PolarHBondContact O-N 3.12Å
447	G	97.9	Very high	97.9	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.038	C	C	.	.	S	Bend	trans	77.4	15.7	174.4	0	0	0	0	0	116.1	R267 R284 S285 C444 T451	R267-G447 PolarHBondContact NH2-O 3.08Å; R284-G447 PolarHBondContact NH2-O 3.17Å; S285-G447 WeakPolarHBondContact O-CA 3.2Å; C444-G447 PolarHBondContact SG-N 3.46Å; G447-T451 WeakPolarHBondContact CA-OG1 3.38Å
448	W	97.9	Very high	98.2	Very high	2 Å²	2	4.6 Å²	4.6	1%	0.008	2%	0.024	C	C	.	.	S	Bend	trans	-131.1	-4.7	-175.9	59.9	48.3	0	0	0	116.2	T240 D446 S452 G484 H485 K486	T240-W448 HydrophobicContact CG2-CZ3 4.02Å; D446-W448 HydrophobicContact CB-CD2 3.86Å; D446-W448 HydrophobicContact CB-CE3 4.37Å; D446-W448 HydrophobicContact CB-CG 4.3Å; D446-W448 HydrophobicContact CB-CZ2 4.03Å; D446-W448 PolarHBondContact O-N 3.12Å; W448-S452 VanDerWaalsContact C-OG 3.3Å; W448-S452 PolarHBondContact O-OG 3.39Å; W448-G484 WeakPolarHBondContact CB-O 3.42Å; W448-H485 PolarHBondContact O-ND1 2.92Å; W448-K486 HydrophobicContact CD2-CG 4.47Å; W448-K486 HydrophobicContact CH2-CD 4.05Å; W448-K486 VanDerWaalsContact CH2-NZ 3.31Å; W448-K486 HydrophobicContact CZ2-CD 3.61Å; W448-K486 HydrophobicContact CZ2-CG 4.24Å
449	D	98.1	Very high	98.3	Very high	9 Å²	9	4.2 Å²	4.2	5%	0.048	2%	0.022	C	C	.	.	S	Bend	trans	-109.1	-92.7	176.3	-69.8	-49	0	0	0	109.1	I357 T451 S452 Q453 H485 R490 V506	I357-D449 HydrophobicContact CG2-CB 4.32Å; D449-T451 PolarHBondContact O-N 2.88Å; D449-S452 WeakPolarHBondContact O-CA 3.21Å; D449-S452 WeakPolarHBondContact O-CB 3.41Å; D449-S452 PolarHBondContact O-N 3.19Å; D449-Q453 PolarHBondContact O-N 3.46Å; D449-H485 IonicContact OD1-CE1 3.39Å; D449-H485 PolarHBondContact OD1-CE1 3.07Å; D449-H485 IonicContact OD1-ND1 3.07Å; D449-H485 PolarHBondContact OD1-ND1 3.26Å; D449-R490 IonicContact OD1-CZ 2.95Å; D449-R490 IonicContact OD1-NE 3.67Å; D449-R490 PolarHBondContact OD1-NE 3.25Å; D449-R490 IonicContact OD1-NH2 2.71Å; D449-R490 IonicContact OD2-CZ 3.64Å; D449-R490 IonicContact OD2-NE 3.63Å; D449-R490 PolarHBondContact OD2-NE 2.95Å; D449-R490 IonicContact OD2-NH2 3.3Å; D449-R490 PolarHBondContact OD2-NH2 3.33Å; D449-V506 HydrophobicContact CB-CG1 3.91Å; D449-V506 HydrophobicContact CB-CG2 4.29Å
450	R	98.2	Very high	98.4	Very high	23 Å²	23	4.2 Å²	4.2	9%	0.087	2%	0.022	C	C	.	.	H	α-helix	trans	-53.8	-38.3	177.9	-68.1	167.5	-77.1	-163.4	-4.4	113.4	A322 I354 E355 C444 Q453 L454	A322-R450 HydrophobicContact CB-CB 3.61Å; A322-R450 HydrophobicContact CB-CG 4.41Å; I354-R450 HydrophobicContact CB-CG 4.34Å; I354-R450 HydrophobicContact CG2-CG 3.7Å; I354-R450 VanDerWaalsContact O-CD 3.3Å; I354-R450 WeakPolarHBondContact O-CD 3.47Å; I354-R450 PolarHBondContact O-NH1 3.33Å; E355-R450 WeakPolarHBondContact O-CD 3.16Å; C444-R450 HydrophobicContact CB-CB 4.26Å; R450-Q453 PolarHBondContact O-N 3.12Å; R450-L454 WeakPolarHBondContact O-CB 3.47Å; R450-L454 VanDerWaalsContact O-CG 3.26Å; R450-L454 WeakPolarHBondContact O-CG 3.43Å; R450-L454 PolarHBondContact O-N 3.16Å
451	T	98.8	Very high	98.3	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-60.8	-45.1	175.2	-56	0	0	0	0	111.5	R284 V442 H443 C444 G447 D449 Q453 L454 T455	R284-T451 HydrophobicContact CB-CG2 3.82Å; V442-T451 HydrophobicContact CB-CG2 4.44Å; V442-T451 HydrophobicContact CG1-CG2 4.16Å; H443-T451 VanDerWaalsContact C-OG1 3.27Å; H443-T451 WeakPolarHBondContact CA-OG1 3.17Å; C444-T451 PolarHBondContact N-OG1 2.65Å; C444-T451 PolarHBondContact SG-OG1 3.35Å; G447-T451 WeakPolarHBondContact CA-OG1 3.38Å; D449-T451 PolarHBondContact O-N 2.88Å; T451-Q453 VanDerWaalsContact C-N 3.35Å; T451-L454 PolarHBondContact O-N 3.33Å; T451-T455 HydrophobicContact CG2-CG2 4.26Å; T451-T455 WeakPolarHBondContact O-CG2 2.98Å; T451-T455 PolarHBondContact O-N 2.92Å; T451-T455 PolarHBondContact O-OG1 3.36Å; T451-T455 VanDerWaalsContact O-OG1 3.05Å
452	S	98.7	Very high	98.2	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-64.8	-39.2	176.8	-52.8	0	0	0	0	111.5	R284 W448 D449 S456 E479	R284-S452 PolarHBondContact NH2-OG 3.01Å; W448-S452 VanDerWaalsContact C-OG 3.3Å; W448-S452 PolarHBondContact O-OG 3.39Å; D449-S452 WeakPolarHBondContact O-CA 3.21Å; D449-S452 WeakPolarHBondContact O-CB 3.41Å; D449-S452 PolarHBondContact O-N 3.19Å; S452-S456 VanDerWaalsContact O-CB 3.31Å; S452-S456 WeakPolarHBondContact O-CB 2.85Å; S452-S456 PolarHBondContact O-N 3.06Å; S452-S456 VanDerWaalsContact O-N 3.11Å; S452-S456 PolarHBondContact O-OG 3.07Å; S452-E479 WeakPolarHBondContact CB-O 3.43Å; S452-E479 PolarHBondContact OG-O 3.45Å
453	Q	98.7	Very high	98	Very high	3 Å²	3	5.5 Å²	5.5	1%	0.014	3%	0.028	C	C	.	.	H	α-helix	trans	-60.8	-48.4	174.9	-61.7	172.2	-53.8	0	0	111.3	V422 D449 R450 T451 S456 L457 W480 V506 F510	V422-Q453 HydrophobicContact CG2-CB 3.72Å; V422-Q453 HydrophobicContact CG2-CG 4.48Å; D449-Q453 PolarHBondContact O-N 3.46Å; R450-Q453 PolarHBondContact O-N 3.12Å; T451-Q453 VanDerWaalsContact C-N 3.35Å; Q453-S456 PolarHBondContact O-OG 3.41Å; Q453-L457 VanDerWaalsContact O-CB 3.31Å; Q453-L457 WeakPolarHBondContact O-CB 3.38Å; Q453-L457 WeakPolarHBondContact O-CD1 3.33Å; Q453-L457 VanDerWaalsContact O-CG 3.22Å; Q453-L457 WeakPolarHBondContact O-CG 3.47Å; Q453-L457 PolarHBondContact O-N 3.12Å; Q453-L457 VanDerWaalsContact O-N 3.08Å; Q453-W480 HydrophobicContact CB-CH2 4.43Å; Q453-W480 HydrophobicContact CB-CZ2 4.45Å; Q453-W480 HydrophobicContact CG-CH2 3.57Å; Q453-W480 HydrophobicContact CG-CZ2 4.04Å; Q453-V506 HydrophobicContact CG-CG1 3.86Å; Q453-V506 PolarHBondContact NE2-O 3.47Å; Q453-F510 HydrophobicContact CG-CB 4.28Å
454	L	98.8	Very high	97.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-68.6	-46.8	-175.7	-74.2	172.5	0	0	0	112.6	A322 L352 I354 A426 I429 V442 R450 T451 A458	A322-L454 HydrophobicContact CB-CD1 3.63Å; L352-L454 HydrophobicContact CD1-CD1 3.55Å; L352-L454 HydrophobicContact CD1-CD2 4.05Å; L352-L454 HydrophobicContact CD1-CG 4.46Å; I354-L454 HydrophobicContact CD1-CD1 3.97Å; I354-L454 HydrophobicContact CD1-CD2 3.79Å; I354-L454 HydrophobicContact CD1-CG 4.06Å; A426-L454 HydrophobicContact CB-CD2 4.38Å; I429-L454 HydrophobicContact CD1-CB 3.77Å; I429-L454 HydrophobicContact CD1-CD1 4.32Å; I429-L454 HydrophobicContact CD1-CD2 4.02Å; I429-L454 HydrophobicContact CD1-CG 4.27Å; V442-L454 HydrophobicContact CG1-CB 3.88Å; V442-L454 HydrophobicContact CG1-CD1 3.7Å; V442-L454 HydrophobicContact CG1-CG 4.48Å; R450-L454 WeakPolarHBondContact O-CB 3.47Å; R450-L454 VanDerWaalsContact O-CG 3.26Å; R450-L454 WeakPolarHBondContact O-CG 3.43Å; R450-L454 PolarHBondContact O-N 3.16Å; T451-L454 PolarHBondContact O-N 3.33Å; L454-A458 VanDerWaalsContact O-CB 3.27Å; L454-A458 WeakPolarHBondContact O-CB 3.03Å; L454-A458 PolarHBondContact O-N 3.41Å
455	T	98.8	Very high	97.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-67	-44.4	-178.9	58.7	0	0	0	0	111.1	L282 R284 V442 T451 A458 M459 E479	L282-T455 HydrophobicContact CD2-CG2 4.41Å; R284-T455 HydrophobicContact CB-CG2 3.96Å; V442-T455 HydrophobicContact CB-CG2 4Å; V442-T455 HydrophobicContact CG1-CG2 4.36Å; V442-T455 HydrophobicContact CG2-CG2 4.21Å; T451-T455 HydrophobicContact CG2-CG2 4.26Å; T451-T455 WeakPolarHBondContact O-CG2 2.98Å; T451-T455 PolarHBondContact O-N 2.92Å; T451-T455 PolarHBondContact O-OG1 3.36Å; T451-T455 VanDerWaalsContact O-OG1 3.05Å; T455-A458 PolarHBondContact O-N 2.71Å; T455-M459 WeakPolarHBondContact O-CB 3.46Å; T455-M459 WeakPolarHBondContact O-CG 3.38Å; T455-M459 PolarHBondContact O-N 2.76Å; T455-E479 WeakPolarHBondContact CB-OE2 3.2Å; T455-E479 PolarHBondContact OG1-OE2 2.78Å
456	S	98.8	Very high	97.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-66.3	-40.4	179.5	58.3	0	0	0	0	112.7	S452 Q453 M459 L460 W480 F510	S452-S456 VanDerWaalsContact O-CB 3.31Å; S452-S456 WeakPolarHBondContact O-CB 2.85Å; S452-S456 PolarHBondContact O-N 3.06Å; S452-S456 VanDerWaalsContact O-N 3.11Å; S452-S456 PolarHBondContact O-OG 3.07Å; Q453-S456 PolarHBondContact O-OG 3.41Å; S456-M459 PolarHBondContact O-N 2.97Å; S456-L460 WeakPolarHBondContact O-CG 3.31Å; S456-L460 PolarHBondContact O-N 3.42Å; S456-W480 PolarHBondContact OG-NE1 3.41Å; S456-F510 WeakPolarHBondContact OG-CD2 3.41Å; S456-F510 WeakPolarHBondContact OG-CE2 3.38Å
457	L	98.8	Very high	97.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-65.8	-42.1	174	-72.8	168.1	0	0	0	112.6	V422 A426 Q453 M459 L460 M461 F510 C513 V514 L517	V422-L457 HydrophobicContact CG2-CD1 3.61Å; A426-L457 HydrophobicContact CB-CB 3.49Å; A426-L457 VanDerWaalsContact CB-CB 3.49Å; A426-L457 HydrophobicContact CB-CD1 4.25Å; Q453-L457 VanDerWaalsContact O-CB 3.31Å; Q453-L457 WeakPolarHBondContact O-CB 3.38Å; Q453-L457 WeakPolarHBondContact O-CD1 3.33Å; Q453-L457 VanDerWaalsContact O-CG 3.22Å; Q453-L457 WeakPolarHBondContact O-CG 3.47Å; Q453-L457 PolarHBondContact O-N 3.12Å; Q453-L457 VanDerWaalsContact O-N 3.08Å; L457-M459 VanDerWaalsContact C-N 3.32Å; L457-M459 PolarHBondContact O-N 3.06Å; L457-L460 HydrophobicContact CD2-CD1 4.43Å; L457-L460 PolarHBondContact O-N 2.9Å; L457-M461 HydrophobicContact CB-CE 4.31Å; L457-M461 WeakPolarHBondContact O-CG 3.42Å; L457-M461 PolarHBondContact O-N 3.11Å; L457-F510 HydrophobicContact CD2-CD2 4.01Å; L457-F510 HydrophobicContact CD2-CE2 4.05Å; L457-F510 HydrophobicContact CG-CD2 3.88Å; L457-F510 HydrophobicContact CG-CE2 4.11Å; L457-C513 HydrophobicContact CD1-CB 3.64Å; L457-C513 HydrophobicContact CD2-CB 3.6Å; L457-C513 HydrophobicContact CG-CB 4.27Å; L457-V514 HydrophobicContact CD2-CG2 4.14Å; L457-L517 HydrophobicContact CD2-CD1 4.09Å
458	A	98.6	Very high	97.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.5	-42	176.3	0	0	0	0	0	111.3	L282 I429 V430 L454 T455 M461 L462	L282-A458 HydrophobicContact CD2-CB 4.11Å; I429-A458 HydrophobicContact CB-CB 4.26Å; I429-A458 HydrophobicContact CG2-CB 3.77Å; V430-A458 HydrophobicContact CG2-CB 3.97Å; L454-A458 VanDerWaalsContact O-CB 3.27Å; L454-A458 WeakPolarHBondContact O-CB 3.03Å; L454-A458 PolarHBondContact O-N 3.41Å; T455-A458 PolarHBondContact O-N 2.71Å; A458-M461 PolarHBondContact O-N 3.07Å; A458-L462 WeakPolarHBondContact O-CB 3.3Å; A458-L462 WeakPolarHBondContact O-CD1 3.24Å; A458-L462 VanDerWaalsContact O-CG 3.28Å; A458-L462 WeakPolarHBondContact O-CG 3.14Å; A458-L462 PolarHBondContact O-N 3.36Å
459	M	98.1	Very high	97.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.2	-42.4	175.3	-73.7	163	67.2	0	0	112	C272 W273 L282 T455 S456 L457 M461 L462 D463 Y466 L475 K478 E479	C272-M459 HydrophobicContact CB-SD 4.41Å; W273-M459 HydrophobicContact CB-CG 3.83Å; W273-M459 HydrophobicContact CB-SD 4.29Å; W273-M459 HydrophobicContact CG-CG 4.12Å; L282-M459 HydrophobicContact CD2-CG 4.02Å; T455-M459 WeakPolarHBondContact O-CB 3.46Å; T455-M459 WeakPolarHBondContact O-CG 3.38Å; T455-M459 PolarHBondContact O-N 2.76Å; S456-M459 PolarHBondContact O-N 2.97Å; L457-M459 VanDerWaalsContact C-N 3.32Å; L457-M459 PolarHBondContact O-N 3.06Å; M459-M461 VanDerWaalsContact C-N 3.3Å; M459-M461 PolarHBondContact O-N 2.72Å; M459-L462 PolarHBondContact O-N 2.84Å; M459-D463 PolarHBondContact O-N 2.8Å; M459-Y466 HydrophobicContact CB-CD2 3.76Å; M459-Y466 HydrophobicContact CB-CE2 3.74Å; M459-Y466 HydrophobicContact CE-CD2 4.35Å; M459-Y466 HydrophobicContact CE-CE1 4.18Å; M459-Y466 HydrophobicContact CE-CE2 3.48Å; M459-Y466 VanDerWaalsContact CE-CE2 3.48Å; M459-Y466 WeakPolarHBondContact CE-OH 3.22Å; M459-Y466 HydrophobicContact CG-CE2 4.21Å; M459-L475 HydrophobicContact CB-CD1 3.96Å; M459-L475 HydrophobicContact CE-CD1 3.47Å; M459-L475 VanDerWaalsContact CE-CD1 3.47Å; M459-L475 HydrophobicContact SD-CD1 4.08Å; M459-K478 HydrophobicContact CE-CD 4.26Å; M459-K478 VanDerWaalsContact CE-CE 3.43Å; M459-E479 HydrophobicContact CE-CG 3.82Å; M459-E479 HydrophobicContact SD-CG 3.65Å
460	L	97.7	Very high	97.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.7	-40.7	173.2	-76.7	163.5	0	0	0	112.5	S456 L457 Y466 R467 F472 L475 F510 V514 F525	S456-L460 WeakPolarHBondContact O-CG 3.31Å; S456-L460 PolarHBondContact O-N 3.42Å; L457-L460 HydrophobicContact CD2-CD1 4.43Å; L457-L460 PolarHBondContact O-N 2.9Å; L460-Y466 WeakPolarHBondContact CD2-O 3.3Å; L460-R467 HydrophobicContact CD2-CG 4.48Å; L460-R467 PolarHBondContact O-NE 2.89Å; L460-R467 PolarHBondContact O-NH2 3.41Å; L460-F472 HydrophobicContact CD1-CD2 4.39Å; L460-F472 HydrophobicContact CD1-CE2 3.87Å; L460-F472 HydrophobicContact CD2-CD2 3.75Å; L460-F472 HydrophobicContact CD2-CE2 4.07Å; L460-L475 HydrophobicContact CD1-CD2 3.71Å; L460-L475 HydrophobicContact CD2-CD2 3.72Å; L460-L475 HydrophobicContact CG-CD2 3.42Å; L460-L475 VanDerWaalsContact CG-CD2 3.42Å; L460-F510 HydrophobicContact CD1-CE2 3.98Å; L460-F510 HydrophobicContact CD1-CZ 4.15Å; L460-V514 HydrophobicContact CD1-CG2 3.72Å; L460-F525 HydrophobicContact CD2-CE1 4.38Å
461	M	97.8	Very high	97.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-70.8	-35.6	178.5	-71.6	179.7	-150.3	0	0	112.1	L423 A426 V430 L457 A458 M459 R467 L517 V591 L592 P594	L423-M461 HydrophobicContact CD1-CE 3.43Å; L423-M461 VanDerWaalsContact CD1-CE 3.43Å; L423-M461 HydrophobicContact CG-CE 4.29Å; A426-M461 HydrophobicContact CB-CE 3.76Å; V430-M461 HydrophobicContact CG1-CB 4.34Å; V430-M461 HydrophobicContact CG2-CB 3.59Å; V430-M461 HydrophobicContact CG2-CG 4.29Å; V430-M461 HydrophobicContact CG2-SD 3.77Å; L457-M461 HydrophobicContact CB-CE 4.31Å; L457-M461 WeakPolarHBondContact O-CG 3.42Å; L457-M461 PolarHBondContact O-N 3.11Å; A458-M461 PolarHBondContact O-N 3.07Å; M459-M461 VanDerWaalsContact C-N 3.3Å; M459-M461 PolarHBondContact O-N 2.72Å; M461-R467 PolarHBondContact O-NH2 3.44Å; M461-L517 HydrophobicContact CE-CD1 4.09Å; M461-L517 HydrophobicContact CE-CD2 4.14Å; M461-L517 HydrophobicContact CG-CD1 4.27Å; M461-L517 HydrophobicContact CG-CD2 4.26Å; M461-V591 CarbonylContact O-C 3.52Å; M461-V591 VanDerWaalsContact O-CA 3.26Å; M461-V591 WeakPolarHBondContact O-CA 3.32Å; M461-L592 HydrophobicContact CB-CB 4.45Å; M461-L592 WeakPolarHBondContact CB-O 3.33Å; M461-L592 HydrophobicContact CG-CB 4.39Å; M461-L592 WeakPolarHBondContact CG-O 3.38Å; M461-L592 PolarHBondContact O-N 3.09Å; M461-P594 HydrophobicContact CE-CG 3.76Å; M461-P594 VanDerWaalsContact SD-CD 3.59Å; M461-P594 HydrophobicContact SD-CG 3.95Å
462	L	95.8	Very high	97.6	Very high	9 Å²	9	14.3 Å²	14.3	5%	0.047	7%	0.071	C	C	.	.	H	α-helix	trans	-87.1	-32.7	-175.1	-73.4	162.6	0	0	0	114.6	W273 V430 I433 A458 M459 V591	W273-L462 HydrophobicContact CE3-CD1 4.13Å; W273-L462 HydrophobicContact CH2-CB 3.77Å; W273-L462 HydrophobicContact CH2-CD1 4.14Å; W273-L462 HydrophobicContact CH2-CD2 4.21Å; W273-L462 HydrophobicContact CH2-CG 4.26Å; W273-L462 HydrophobicContact CZ2-CB 3.77Å; W273-L462 HydrophobicContact CZ3-CB 4.34Å; W273-L462 HydrophobicContact CZ3-CD1 3.86Å; W273-L462 HydrophobicContact CZ3-CG 4.47Å; V430-L462 HydrophobicContact CG1-CD2 3.85Å; V430-L462 HydrophobicContact CG1-CG 4.11Å; V430-L462 HydrophobicContact CG2-CD1 4.34Å; V430-L462 HydrophobicContact CG2-CG 4.1Å; I433-L462 HydrophobicContact CB-CD1 4.39Å; I433-L462 HydrophobicContact CB-CD2 4.48Å; I433-L462 HydrophobicContact CD1-CD1 3.88Å; I433-L462 HydrophobicContact CG2-CD1 4.1Å; I433-L462 HydrophobicContact CG2-CD2 4.02Å; A458-L462 WeakPolarHBondContact O-CB 3.3Å; A458-L462 WeakPolarHBondContact O-CD1 3.24Å; A458-L462 VanDerWaalsContact O-CG 3.28Å; A458-L462 WeakPolarHBondContact O-CG 3.14Å; A458-L462 PolarHBondContact O-N 3.36Å; M459-L462 PolarHBondContact O-N 2.84Å; L462-V591 HydrophobicContact CD2-CG1 4.42Å
463	D	94.7	Very high	97.6	Very high	18 Å²	18	14.4 Å²	14.4	10%	0.096	7%	0.071	C	C	.	.			trans	-125.7	109.4	-167.6	-170.7	-16.8	0	0	0	111.3	R214 W273 M459 Y465 Y466	R214-D463 IonicContact CZ-OD2 3.88Å; R214-D463 IonicContact NH1-OD1 2.71Å; R214-D463 IonicContact NH1-OD2 3.31Å; R214-D463 PolarHBondContact NH1-OD2 2.91Å; R214-D463 IonicContact NH2-OD2 3.46Å; R214-D463 PolarHBondContact NH2-OD2 2.75Å; W273-D463 HydrophobicContact CZ2-CB 4.24Å; W273-D463 PolarHBondContact NE1-OD2 3.45Å; W273-D463 VanDerWaalsContact NE1-OD2 3.07Å; M459-D463 PolarHBondContact O-N 2.8Å; D463-Y465 PolarHBondContact O-N 3.12Å; D463-Y465 VanDerWaalsContact O-N 3.12Å; D463-Y465 WeakPolarHBondContact OD1-CB 3.47Å; D463-Y465 PolarHBondContact OD1-N 2.74Å; D463-Y466 HydrophobicContact CB-CD2 3.7Å; D463-Y466 HydrophobicContact CB-CE2 3.93Å; D463-Y466 PolarHBondContact O-N 2.85Å
464	P	95	Very high	97.6	Very high	61 Å²	61	14.4 Å²	14.4	40%	0.396	7%	0.071	S	C	.	.	G	3₁₀ helix	trans	-57.1	-24.2	178.4	-25.4	34.1	0	0	0	114.3	Y466 R467 S590	P464-Y466 VanDerWaalsContact C-N 3.28Å; P464-Y466 PolarHBondContact O-N 3.18Å; P464-R467 WeakPolarHBondContact O-CB 3.29Å; P464-R467 PolarHBondContact O-N 2.69Å; P464-S590 WeakPolarHBondContact CG-O 3.41Å
465	Y	94.7	Very high	97.6	Very high	55 Å²	55	14.4 Å²	14.4	22%	0.216	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-54.8	-46.9	176.4	169.5	-114.8	0	0	0	111.1	E211 D463 R467 T468 G471 V474	E211-Y465 WeakPolarHBondContact OE2-CE1 3.44Å; D463-Y465 PolarHBondContact O-N 3.12Å; D463-Y465 VanDerWaalsContact O-N 3.12Å; D463-Y465 WeakPolarHBondContact OD1-CB 3.47Å; D463-Y465 PolarHBondContact OD1-N 2.74Å; Y465-R467 PolarHBondContact O-N 2.88Å; Y465-T468 WeakPolarHBondContact O-CB 3.21Å; Y465-T468 PolarHBondContact O-N 2.99Å; Y465-T468 PolarHBondContact O-OG1 2.95Å; Y465-G471 WeakPolarHBondContact O-CA 3.2Å; Y465-V474 HydrophobicContact CE1-CB 4.39Å; Y465-V474 HydrophobicContact CE1-CG1 4.16Å; Y465-V474 WeakPolarHBondContact OH-CG2 3.13Å
466	Y	97.4	Very high	97.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-69.1	-7.4	-178	-59.9	-53.7	0	0	0	114.2	E211 R214 W273 M459 L460 D463 P464 G471 F472 V474 L475	E211-Y466 PolarHBondContact OE1-OH 2.74Å; R214-Y466 VanDerWaalsContact NH2-CZ 3.34Å; R214-Y466 PolarHBondContact NH2-OH 3.44Å; W273-Y466 AromaticContact CD1-CE2 3.86Å; M459-Y466 HydrophobicContact CB-CD2 3.76Å; M459-Y466 HydrophobicContact CB-CE2 3.74Å; M459-Y466 HydrophobicContact CE-CD2 4.35Å; M459-Y466 HydrophobicContact CE-CE1 4.18Å; M459-Y466 HydrophobicContact CE-CE2 3.48Å; M459-Y466 VanDerWaalsContact CE-CE2 3.48Å; M459-Y466 WeakPolarHBondContact CE-OH 3.22Å; M459-Y466 HydrophobicContact CG-CE2 4.21Å; L460-Y466 WeakPolarHBondContact CD2-O 3.3Å; D463-Y466 HydrophobicContact CB-CD2 3.7Å; D463-Y466 HydrophobicContact CB-CE2 3.93Å; D463-Y466 PolarHBondContact O-N 2.85Å; P464-Y466 VanDerWaalsContact C-N 3.28Å; P464-Y466 PolarHBondContact O-N 3.18Å; Y466-G471 WeakPolarHBondContact CD1-O 3.39Å; Y466-F472 WeakPolarHBondContact O-CA 3.4Å; Y466-F472 PolarHBondContact O-N 3.11Å; Y466-V474 HydrophobicContact CE1-CG1 4.39Å; Y466-L475 HydrophobicContact CD1-CB 3.84Å; Y466-L475 HydrophobicContact CD1-CD1 4.09Å; Y466-L475 HydrophobicContact CD1-CG 4.49Å; Y466-L475 HydrophobicContact CD2-CD1 4.3Å; Y466-L475 HydrophobicContact CE1-CB 4.38Å; Y466-L475 HydrophobicContact CE1-CD1 4.21Å; Y466-L475 HydrophobicContact CE2-CD1 4.46Å; Y466-L475 HydrophobicContact CG-CB 4.3Å; Y466-L475 HydrophobicContact CG-CD1 4.11Å
467	R	97.9	Very high	97.6	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.015	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-92.6	-7.2	175.7	-47.3	-179.9	-156.9	141	9.5	112.9	L460 M461 P464 Y465 S524 F525 E526 L589 S590	L460-R467 HydrophobicContact CD2-CG 4.48Å; L460-R467 PolarHBondContact O-NE 2.89Å; L460-R467 PolarHBondContact O-NH2 3.41Å; M461-R467 PolarHBondContact O-NH2 3.44Å; P464-R467 WeakPolarHBondContact O-CB 3.29Å; P464-R467 PolarHBondContact O-N 2.69Å; Y465-R467 PolarHBondContact O-N 2.88Å; R467-S524 WeakPolarHBondContact CB-O 3.49Å; R467-S524 VanDerWaalsContact CD-O 3.28Å; R467-S524 WeakPolarHBondContact CD-O 3.35Å; R467-F525 HydrophobicContact CB-CD1 3.74Å; R467-F525 HydrophobicContact CB-CE1 4.04Å; R467-F525 HydrophobicContact CB-CG 4.41Å; R467-F525 HydrophobicContact CG-CD1 4.07Å; R467-F525 HydrophobicContact CG-CE1 3.82Å; R467-F525 HydrophobicContact CG-CZ 4.42Å; R467-F525 WeakPolarHBondContact O-CA 3.42Å; R467-E526 PolarHBondContact O-N 3.22Å; R467-L589 PolarHBondContact NH1-O 2.77Å; R467-S590 PolarHBondContact NH2-O 3.43Å
468	T	97	Very high	97.6	Very high	21 Å²	21	14.8 Å²	14.8	13%	0.129	7%	0.073	C	C	.	.	S	Bend	trans	-74	157.8	165.2	67.7	0	0	0	0	110	Y465 G471 F472 E526 F583	Y465-T468 WeakPolarHBondContact O-CB 3.21Å; Y465-T468 PolarHBondContact O-N 2.99Å; Y465-T468 PolarHBondContact O-OG1 2.95Å; T468-G471 PolarHBondContact O-N 2.71Å; T468-G471 WeakPolarHBondContact OG1-CA 3.16Å; T468-G471 PolarHBondContact OG1-N 2.56Å; T468-F472 WeakPolarHBondContact O-CB 3.45Å; T468-F472 PolarHBondContact O-N 2.85Å; T468-E526 WeakPolarHBondContact CA-OE2 3.34Å; T468-E526 WeakPolarHBondContact CB-OE2 3.3Å; T468-F583 HydrophobicContact CG2-CZ 4.46Å
469	I	97.6	Very high	97.6	Very high	5 Å²	5	14.8 Å²	14.8	3%	0.026	7%	0.073	C	C	.	.	H	α-helix	trans	-54.8	-57	174.6	-71	170.5	0	0	0	108.8	G471 F472 E473 E526 F527 F531 T575	I469-G471 VanDerWaalsContact C-N 3.34Å; I469-G471 PolarHBondContact O-N 3.32Å; I469-F472 PolarHBondContact O-N 2.9Å; I469-F472 VanDerWaalsContact O-N 3.16Å; I469-E473 WeakPolarHBondContact O-CG 3.48Å; I469-E473 PolarHBondContact O-N 3.34Å; I469-E473 VanDerWaalsContact O-N 3.07Å; I469-E526 HydrophobicContact CD1-CG 4.09Å; I469-E526 HydrophobicContact CG1-CB 4.27Å; I469-E526 HydrophobicContact CG1-CG 4Å; I469-E526 PolarHBondContact N-OE2 3.35Å; I469-F527 HydrophobicContact CG1-CB 3.91Å; I469-F531 HydrophobicContact CG2-CE2 4.18Å; I469-F531 HydrophobicContact CG2-CZ 4.11Å; I469-T575 HydrophobicContact CD1-CG2 3.59Å
470	K	97.7	Very high	97.6	Very high	125 Å²	125	14.8 Å²	14.8	54%	0.543	7%	0.073	S	C	.	.	H	α-helix	trans	-58.1	-43.6	179.7	-178.1	177	-178.3	178	0	112.8	V205 F472 E473 V474	V205-K470 HydrophobicContact CG2-CG 4.15Å; K470-F472 VanDerWaalsContact C-N 3.34Å; K470-E473 PolarHBondContact O-N 3.31Å; K470-V474 WeakPolarHBondContact O-CG2 3.2Å; K470-V474 PolarHBondContact O-N 2.9Å
471	G	97.9	Very high	97.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66.8	-36.2	179.7	0	0	0	0	0	112.4	Y465 Y466 T468 I469 V474 L475	Y465-G471 WeakPolarHBondContact O-CA 3.2Å; Y466-G471 WeakPolarHBondContact CD1-O 3.39Å; T468-G471 PolarHBondContact O-N 2.71Å; T468-G471 WeakPolarHBondContact OG1-CA 3.16Å; T468-G471 PolarHBondContact OG1-N 2.56Å; I469-G471 VanDerWaalsContact C-N 3.34Å; I469-G471 PolarHBondContact O-N 3.32Å; G471-V474 PolarHBondContact O-N 2.86Å; G471-L475 WeakPolarHBondContact O-CB 3.26Å; G471-L475 PolarHBondContact O-N 3.36Å
472	F	98.7	Very high	97.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66.2	-39.4	175.2	-166.1	-101.8	0	0	0	112.3	L460 Y466 T468 I469 K470 L475 I476 F510 I511 V514 F527 F531 L532 I535	L460-F472 HydrophobicContact CD1-CD2 4.39Å; L460-F472 HydrophobicContact CD1-CE2 3.87Å; L460-F472 HydrophobicContact CD2-CD2 3.75Å; L460-F472 HydrophobicContact CD2-CE2 4.07Å; Y466-F472 WeakPolarHBondContact O-CA 3.4Å; Y466-F472 PolarHBondContact O-N 3.11Å; T468-F472 WeakPolarHBondContact O-CB 3.45Å; T468-F472 PolarHBondContact O-N 2.85Å; I469-F472 PolarHBondContact O-N 2.9Å; I469-F472 VanDerWaalsContact O-N 3.16Å; K470-F472 VanDerWaalsContact C-N 3.34Å; F472-L475 HydrophobicContact CD2-CD2 4.44Å; F472-L475 WeakPolarHBondContact O-CB 3.09Å; F472-L475 PolarHBondContact O-N 3.22Å; F472-I476 HydrophobicContact CD1-CD1 3.71Å; F472-I476 HydrophobicContact CD1-CG1 4.47Å; F472-I476 HydrophobicContact CE1-CD1 3.38Å; F472-I476 HydrophobicContact CE1-CG1 4.27Å; F472-I476 HydrophobicContact CZ-CD1 4.09Å; F472-I476 PolarHBondContact O-N 3.24Å; F472-F510 HydrophobicContact CE2-CZ 4.11Å; F472-F510 HydrophobicContact CZ-CE1 4.11Å; F472-F510 HydrophobicContact CZ-CZ 4.08Å; F472-I511 HydrophobicContact CE1-CD1 4.27Å; F472-I511 HydrophobicContact CZ-CD1 4.01Å; F472-V514 HydrophobicContact CE2-CB 4.46Å; F472-V514 HydrophobicContact CE2-CG1 3.78Å; F472-V514 HydrophobicContact CE2-CG2 3.91Å; F472-V514 HydrophobicContact CZ-CB 4.44Å; F472-V514 HydrophobicContact CZ-CG1 3.98Å; F472-V514 HydrophobicContact CZ-CG2 4.02Å; F472-F527 HydrophobicContact CB-CD1 4.02Å; F472-F527 HydrophobicContact CB-CE1 3.62Å; F472-F527 HydrophobicContact CB-CZ 4.45Å; F472-F527 HydrophobicContact CD1-CE1 4.36Å; F472-F527 AromaticContact CD2-CE1 3.57Å; F472-F527 HydrophobicContact CD2-CE1 3.57Å; F472-F527 AromaticContact CD2-CZ 3.58Å; F472-F527 HydrophobicContact CD2-CZ 3.58Å; F472-F527 HydrophobicContact CE2-CE1 4.31Å; F472-F527 AromaticContact CE2-CZ 3.86Å; F472-F527 HydrophobicContact CE2-CZ 3.86Å; F472-F527 HydrophobicContact CG-CD1 4.22Å; F472-F527 AromaticContact CG-CE1 3.59Å; F472-F527 HydrophobicContact CG-CE1 3.59Å; F472-F527 AromaticContact CG-CZ 3.96Å; F472-F527 HydrophobicContact CG-CZ 3.96Å; F472-F527 HydrophobicContact CZ-CZ 4.42Å; F472-F531 HydrophobicContact CD1-CD1 4.46Å; F472-F531 AromaticContact CD1-CE1 3.64Å; F472-F531 HydrophobicContact CD1-CE1 3.64Å; F472-F531 HydrophobicContact CD1-CZ 4.5Å; F472-F531 HydrophobicContact CE1-CE1 4.26Å; F472-F531 HydrophobicContact CG-CE1 4.41Å; F472-L532 HydrophobicContact CE1-CD2 3.9Å; F472-L532 HydrophobicContact CZ-CD2 3.89Å; F472-I535 HydrophobicContact CD1-CD1 4.15Å; F472-I535 HydrophobicContact CE1-CD1 3.82Å
473	E	98.7	Very high	97.8	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-60	-47.1	172.5	-62.2	179.4	152.9	0	0	110.9	V205 I469 K470 L475 I476 E477 F531 W568 N572	V205-E473 HydrophobicContact CG1-CB 4.33Å; V205-E473 HydrophobicContact CG2-CB 3.79Å; V205-E473 VanDerWaalsContact CG2-OE2 3.29Å; V205-E473 WeakPolarHBondContact CG2-OE2 3.08Å; I469-E473 WeakPolarHBondContact O-CG 3.48Å; I469-E473 PolarHBondContact O-N 3.34Å; I469-E473 VanDerWaalsContact O-N 3.07Å; K470-E473 PolarHBondContact O-N 3.31Å; E473-L475 VanDerWaalsContact C-N 3.33Å; E473-L475 PolarHBondContact O-N 3.46Å; E473-I476 PolarHBondContact O-N 3.38Å; E473-E477 PolarHBondContact O-N 3.15Å; E473-F531 HydrophobicContact CG-CZ 4.17Å; E473-W568 HydrophobicContact CB-CD2 3.98Å; E473-W568 HydrophobicContact CB-CE3 4.07Å; E473-W568 HydrophobicContact CB-CG 4.36Å; E473-W568 HydrophobicContact CB-CZ3 4.43Å; E473-W568 HydrophobicContact CG-CD2 3.82Å; E473-W568 HydrophobicContact CG-CE3 3.45Å; E473-W568 VanDerWaalsContact CG-CE3 3.45Å; E473-W568 HydrophobicContact CG-CG 4.34Å; E473-W568 HydrophobicContact CG-CZ3 3.86Å; E473-N572 PolarHBondContact OE1-ND2 2.75Å; E473-N572 PolarHBondContact OE1-OD1 3.02Å; E473-N572 PolarHBondContact OE2-ND2 3.35Å
474	V	98.7	Very high	98	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.018	7%	0.067	C	C	.	.	H	α-helix	trans	-59.5	-42	174.1	165.2	0	0	0	0	111.9	V205 Y206 E211 Y465 Y466 K470 G471 I476 E477 K478	V205-V474 HydrophobicContact CG2-CG2 4.25Å; V205-V474 WeakPolarHBondContact O-CG2 3.21Å; Y206-V474 HydrophobicContact CD2-CG1 3.88Å; Y206-V474 HydrophobicContact CE2-CG1 4.41Å; E211-V474 HydrophobicContact CG-CG1 4.2Å; Y465-V474 HydrophobicContact CE1-CB 4.39Å; Y465-V474 HydrophobicContact CE1-CG1 4.16Å; Y465-V474 WeakPolarHBondContact OH-CG2 3.13Å; Y466-V474 HydrophobicContact CE1-CG1 4.39Å; K470-V474 WeakPolarHBondContact O-CG2 3.2Å; K470-V474 PolarHBondContact O-N 2.9Å; G471-V474 PolarHBondContact O-N 2.86Å; V474-I476 VanDerWaalsContact C-N 3.33Å; V474-I476 PolarHBondContact O-N 3.29Å; V474-E477 PolarHBondContact O-N 3.36Å; V474-K478 WeakPolarHBondContact O-CB 3.36Å; V474-K478 PolarHBondContact O-N 3Å
475	L	98.8	Very high	98.2	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-60.6	-43.2	178.3	-177.8	69.7	0	0	0	111.7	M459 L460 Y466 G471 F472 E473 E479 F510	M459-L475 HydrophobicContact CB-CD1 3.96Å; M459-L475 HydrophobicContact CE-CD1 3.47Å; M459-L475 VanDerWaalsContact CE-CD1 3.47Å; M459-L475 HydrophobicContact SD-CD1 4.08Å; L460-L475 HydrophobicContact CD1-CD2 3.71Å; L460-L475 HydrophobicContact CD2-CD2 3.72Å; L460-L475 HydrophobicContact CG-CD2 3.42Å; L460-L475 VanDerWaalsContact CG-CD2 3.42Å; Y466-L475 HydrophobicContact CD1-CB 3.84Å; Y466-L475 HydrophobicContact CD1-CD1 4.09Å; Y466-L475 HydrophobicContact CD1-CG 4.49Å; Y466-L475 HydrophobicContact CD2-CD1 4.3Å; Y466-L475 HydrophobicContact CE1-CB 4.38Å; Y466-L475 HydrophobicContact CE1-CD1 4.21Å; Y466-L475 HydrophobicContact CE2-CD1 4.46Å; Y466-L475 HydrophobicContact CG-CB 4.3Å; Y466-L475 HydrophobicContact CG-CD1 4.11Å; G471-L475 WeakPolarHBondContact O-CB 3.26Å; G471-L475 PolarHBondContact O-N 3.36Å; F472-L475 HydrophobicContact CD2-CD2 4.44Å; F472-L475 WeakPolarHBondContact O-CB 3.09Å; F472-L475 PolarHBondContact O-N 3.22Å; E473-L475 VanDerWaalsContact C-N 3.33Å; E473-L475 PolarHBondContact O-N 3.46Å; L475-E479 HydrophobicContact CD1-CG 3.88Å; L475-E479 WeakPolarHBondContact O-CB 3.44Å; L475-E479 PolarHBondContact O-N 3.48Å; L475-F510 HydrophobicContact CD2-CZ 4.44Å
476	I	98.9	Very high	98.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-67	-50	177.4	-70.5	171.4	0	0	0	110.3	F472 E473 V474 K478 W480 C481 F507 F510 I535 F547 W568	F472-I476 HydrophobicContact CD1-CD1 3.71Å; F472-I476 HydrophobicContact CD1-CG1 4.47Å; F472-I476 HydrophobicContact CE1-CD1 3.38Å; F472-I476 HydrophobicContact CE1-CG1 4.27Å; F472-I476 HydrophobicContact CZ-CD1 4.09Å; F472-I476 PolarHBondContact O-N 3.24Å; E473-I476 PolarHBondContact O-N 3.38Å; V474-I476 VanDerWaalsContact C-N 3.33Å; V474-I476 PolarHBondContact O-N 3.29Å; I476-K478 PolarHBondContact O-N 3.38Å; I476-W480 HydrophobicContact CG2-CB 4.49Å; I476-W480 WeakPolarHBondContact O-CA 3.36Å; I476-W480 VanDerWaalsContact O-CB 3.27Å; I476-W480 WeakPolarHBondContact O-CB 3.33Å; I476-W480 PolarHBondContact O-N 3.48Å; I476-W480 VanDerWaalsContact O-N 3.09Å; I476-C481 PolarHBondContact O-N 2.9Å; I476-F507 HydrophobicContact CD1-CZ 4Å; I476-F507 HydrophobicContact CG1-CE2 4.37Å; I476-F507 HydrophobicContact CG1-CZ 4.29Å; I476-F507 HydrophobicContact CG2-CE2 4.38Å; I476-F507 HydrophobicContact CG2-CZ 4.19Å; I476-F510 HydrophobicContact CG1-CE1 4.35Å; I476-I535 HydrophobicContact CD1-CD1 4.15Å; I476-F547 HydrophobicContact CG2-CE1 3.71Å; I476-F547 HydrophobicContact CG2-CZ 4.2Å; I476-W568 HydrophobicContact CB-CH2 4.22Å; I476-W568 HydrophobicContact CB-CZ2 4.12Å; I476-W568 HydrophobicContact CD1-CH2 3.84Å; I476-W568 HydrophobicContact CG2-CH2 4.06Å; I476-W568 HydrophobicContact CG2-CZ2 3.82Å
477	E	98.7	Very high	98.3	Very high	9 Å²	9	9.9 Å²	9.9	4%	0.042	5%	0.045	C	C	.	.	I	π-helix	trans	-58.5	-38.3	179.1	-76.1	-66.5	175.1	0	0	112.3	V205 Y206 E473 V474 C481 S482 T546 W568	V205-E477 HydrophobicContact CG1-CG 4.06Å; Y206-E477 HydrophobicContact CD1-CB 3.73Å; Y206-E477 HydrophobicContact CG-CB 3.77Å; E473-E477 PolarHBondContact O-N 3.15Å; V474-E477 PolarHBondContact O-N 3.36Å; E477-C481 WeakPolarHBondContact O-CB 3.35Å; E477-C481 WeakPolarHBondContact OE2-CB 3.28Å; E477-S482 WeakPolarHBondContact O-CB 3.49Å; E477-S482 PolarHBondContact O-N 3.22Å; E477-T546 WeakPolarHBondContact OE1-CG2 3.28Å; E477-W568 PolarHBondContact OE1-NE1 3.25Å
478	K	98.5	Very high	98.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-74.2	-72.2	176.3	178.8	-178.1	151.1	78.6	0	111.9	Y206 E211 C272 M459 V474 I476 W480 S482 F483	Y206-K478 HydrophobicContact CD2-CB 4.48Å; Y206-K478 HydrophobicContact CE1-CB 4.4Å; Y206-K478 HydrophobicContact CE2-CB 3.85Å; Y206-K478 HydrophobicContact CE2-CD 4.5Å; Y206-K478 HydrophobicContact CE2-CG 4.31Å; E211-K478 HydrophobicContact CG-CD 3.95Å; C272-K478 WeakPolarHBondContact O-CE 3.48Å; C272-K478 PolarHBondContact O-NZ 2.78Å; M459-K478 HydrophobicContact CE-CD 4.26Å; M459-K478 VanDerWaalsContact CE-CE 3.43Å; V474-K478 WeakPolarHBondContact O-CB 3.36Å; V474-K478 PolarHBondContact O-N 3Å; I476-K478 PolarHBondContact O-N 3.38Å; K478-W480 VanDerWaalsContact C-N 3.28Å; K478-W480 PolarHBondContact O-N 3.43Å; K478-S482 PolarHBondContact O-N 3.45Å; K478-S482 PolarHBondContact O-OG 2.86Å; K478-F483 WeakPolarHBondContact O-CD2 3.36Å; K478-F483 PolarHBondContact O-N 3.12Å
479	E	98.8	Very high	98.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-75.3	-16.5	-164.6	-68.4	-60.4	114.3	0	0	114.2	C272 R284 S452 T455 M459 L475	C272-E479 VanDerWaalsContact CB-OE1 3.3Å; C272-E479 WeakPolarHBondContact CB-OE1 3.43Å; R284-E479 WeakPolarHBondContact CD-OE2 3.18Å; R284-E479 IonicContact CZ-OE2 2.72Å; R284-E479 IonicContact NE-OE2 3.22Å; R284-E479 PolarHBondContact NH1-O 3.27Å; R284-E479 IonicContact NH1-OE2 3.99Å; R284-E479 PolarHBondContact NH1-OE2 3.26Å; S452-E479 WeakPolarHBondContact CB-O 3.43Å; S452-E479 PolarHBondContact OG-O 3.45Å; T455-E479 WeakPolarHBondContact CB-OE2 3.2Å; T455-E479 PolarHBondContact OG1-OE2 2.78Å; M459-E479 HydrophobicContact CE-CG 3.82Å; M459-E479 HydrophobicContact SD-CG 3.65Å; L475-E479 HydrophobicContact CD1-CG 3.88Å; L475-E479 WeakPolarHBondContact O-CB 3.44Å; L475-E479 PolarHBondContact O-N 3.48Å
480	W	98.8	Very high	97.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-113.3	-58.1	-179.1	-64.4	82	0	0	0	112	Q453 S456 I476 K478 G484 H485 F487 V506 F507 F510	Q453-W480 HydrophobicContact CB-CH2 4.43Å; Q453-W480 HydrophobicContact CB-CZ2 4.45Å; Q453-W480 HydrophobicContact CG-CH2 3.57Å; Q453-W480 HydrophobicContact CG-CZ2 4.04Å; S456-W480 PolarHBondContact OG-NE1 3.41Å; I476-W480 HydrophobicContact CG2-CB 4.49Å; I476-W480 WeakPolarHBondContact O-CA 3.36Å; I476-W480 VanDerWaalsContact O-CB 3.27Å; I476-W480 WeakPolarHBondContact O-CB 3.33Å; I476-W480 PolarHBondContact O-N 3.48Å; I476-W480 VanDerWaalsContact O-N 3.09Å; K478-W480 VanDerWaalsContact C-N 3.28Å; K478-W480 PolarHBondContact O-N 3.43Å; W480-G484 PolarHBondContact O-N 2.97Å; W480-H485 HydrophobicContact CB-CB 4.42Å; W480-H485 HydrophobicContact CE3-CB 3.83Å; W480-H485 AromaticContact CE3-CD2 3.71Å; W480-H485 AromaticContact CE3-CG 3.53Å; W480-H485 AromaticContact CE3-ND1 3.96Å; W480-H485 AromaticContact CZ3-CD2 3.97Å; W480-H485 AromaticContact CZ3-CE1 3.91Å; W480-H485 AromaticContact CZ3-CG 3.87Å; W480-H485 AromaticContact CZ3-ND1 3.84Å; W480-H485 AromaticContact CZ3-NE2 4Å; W480-H485 VanDerWaalsContact O-CB 3.28Å; W480-H485 WeakPolarHBondContact O-CB 3.1Å; W480-H485 PolarHBondContact O-N 2.82Å; W480-F487 HydrophobicContact CB-CE2 3.93Å; W480-F487 HydrophobicContact CB-CZ 3.97Å; W480-F487 HydrophobicContact CE3-CZ 4.33Å; W480-V506 HydrophobicContact CH2-CG1 4.18Å; W480-V506 HydrophobicContact CZ3-CG1 4.08Å; W480-F507 AromaticContact CD2-CD2 3.53Å; W480-F507 HydrophobicContact CD2-CD2 3.53Å; W480-F507 AromaticContact CD2-CE2 3.76Å; W480-F507 HydrophobicContact CD2-CE2 3.76Å; W480-F507 AromaticContact CE2-CD2 3.83Å; W480-F507 HydrophobicContact CE3-CB 4.38Å; W480-F507 AromaticContact CE3-CD2 3.4Å; W480-F507 HydrophobicContact CE3-CD2 3.4Å; W480-F507 VanDerWaalsContact CE3-CD2 3.4Å; W480-F507 HydrophobicContact CE3-CE2 4.1Å; W480-F507 HydrophobicContact CE3-CG 4.33Å; W480-F507 HydrophobicContact CG-CD2 4.19Å; W480-F507 AromaticContact CG-CE2 3.96Å; W480-F507 HydrophobicContact CG-CE2 3.96Å; W480-F507 HydrophobicContact CH2-CB 4.41Å; W480-F507 AromaticContact CH2-CD2 3.85Å; W480-F507 HydrophobicContact CH2-CD2 3.85Å; W480-F507 HydrophobicContact CZ2-CD2 4.02Å; W480-F507 HydrophobicContact CZ3-CB 3.93Å; W480-F507 AromaticContact CZ3-CD2 3.57Å; W480-F507 HydrophobicContact CZ3-CD2 3.57Å; W480-F507 HydrophobicContact CZ3-CG 4.24Å; W480-F510 AromaticContact CE2-CD1 3.77Å; W480-F510 AromaticContact CE2-CG 3.89Å; W480-F510 HydrophobicContact CH2-CB 3.55Å; W480-F510 HydrophobicContact CH2-CD1 4.35Å; W480-F510 HydrophobicContact CH2-CG 4.02Å; W480-F510 HydrophobicContact CZ2-CB 3.29Å; W480-F510 AromaticContact CZ2-CD1 3.56Å; W480-F510 HydrophobicContact CZ2-CD1 3.56Å; W480-F510 AromaticContact CZ2-CD2 3.77Å; W480-F510 HydrophobicContact CZ2-CD2 3.77Å; W480-F510 HydrophobicContact CZ2-CE1 4.31Å; W480-F510 HydrophobicContact CZ2-CE2 4.49Å; W480-F510 AromaticContact CZ2-CG 3.24Å; W480-F510 HydrophobicContact CZ2-CG 3.24Å; W480-F510 AromaticContact NE1-CD1 3.85Å; W480-F510 AromaticContact NE1-CE1 3.71Å; W480-F510 AromaticContact NE1-CZ 3.88Å
481	C	98.6	Very high	97.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	I	π-helix	trans	-71.8	-53.8	-174.4	-59.3	0	0	0	0	111.3	I476 E477 G484 R555	I476-C481 PolarHBondContact O-N 2.9Å; E477-C481 WeakPolarHBondContact O-CB 3.35Å; E477-C481 WeakPolarHBondContact OE2-CB 3.28Å; C481-G484 PolarHBondContact O-N 3.42Å; C481-R555 PolarHBondContact O-NH1 3.42Å; C481-R555 PolarHBondContact O-NH2 3.06Å
482	S	98.4	Very high	97.3	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.007	4%	0.039	C	C	.	.	I	π-helix	trans	-74.6	-39.5	-173.7	85.9	0	0	0	0	112.1	E477 K478 G484 E552	E477-S482 WeakPolarHBondContact O-CB 3.49Å; E477-S482 PolarHBondContact O-N 3.22Å; K478-S482 PolarHBondContact O-N 3.45Å; K478-S482 PolarHBondContact O-OG 2.86Å; S482-G484 PolarHBondContact O-N 2.84Å; S482-G484 VanDerWaalsContact O-N 3.15Å; S482-E552 WeakPolarHBondContact CB-OE2 3.07Å
483	F	98.7	Very high	97	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	4.6	174	-87.8	-72.6	0	0	0	115.1	T240 Y241 P242 R267 V270 R284 K478	T240-F483 CarbonylContact O-C 3.19Å; Y241-F483 AromaticContact CD1-CD1 3.82Å; Y241-F483 HydrophobicContact CD1-CD1 3.82Å; Y241-F483 HydrophobicContact CD1-CE1 4.13Å; Y241-F483 AromaticContact CE1-CD1 3.66Å; Y241-F483 HydrophobicContact CE1-CD1 3.66Å; Y241-F483 AromaticContact CE1-CE1 3.87Å; Y241-F483 HydrophobicContact CE1-CE1 3.87Å; Y241-F483 HydrophobicContact CE2-CE1 4.29Å; Y241-F483 HydrophobicContact CG-CD1 4.48Å; Y241-F483 HydrophobicContact CG-CE1 4.44Å; Y241-F483 AromaticContact CZ-CE1 3.95Å; P242-F483 HydrophobicContact CG-CE1 4.24Å; P242-F483 HydrophobicContact CG-CE2 4.39Å; P242-F483 HydrophobicContact CG-CZ 4.18Å; R267-F483 PolarHBondContact NH1-O 3.5Å; R267-F483 VanDerWaalsContact NH1-O 3.13Å; R267-F483 PolarHBondContact NH2-O 3.23Å; V270-F483 HydrophobicContact CG2-CE1 3.49Å; V270-F483 VanDerWaalsContact CG2-CE1 3.49Å; V270-F483 HydrophobicContact CG2-CZ 3.67Å; R284-F483 HydrophobicContact CG-CD1 4.39Å; R284-F483 HydrophobicContact CG-CE1 4.02Å; R284-F483 HydrophobicContact CG-CZ 4.26Å; K478-F483 WeakPolarHBondContact O-CD2 3.36Å; K478-F483 PolarHBondContact O-N 3.12Å
484	G	98.4	Very high	96.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	39.2	164.7	0	0	0	0	0	114.9	W448 W480 C481 S482 K486 N550	W448-G484 WeakPolarHBondContact CB-O 3.42Å; W480-G484 PolarHBondContact O-N 2.97Å; C481-G484 PolarHBondContact O-N 3.42Å; S482-G484 PolarHBondContact O-N 2.84Å; S482-G484 VanDerWaalsContact O-N 3.15Å; G484-K486 PolarHBondContact O-N 2.91Å; G484-N550 CarbonylContact C-O 3.55Å; G484-N550 WeakPolarHBondContact CA-O 3Å
485	H	98.7	Very high	96.1	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.009	5%	0.049	C	C	.	.			trans	-59.9	131.3	159.6	-177.1	65.9	0	0	0	109.2	W448 D449 W480 F487	W448-H485 PolarHBondContact O-ND1 2.92Å; D449-H485 IonicContact OD1-CE1 3.39Å; D449-H485 PolarHBondContact OD1-CE1 3.07Å; D449-H485 IonicContact OD1-ND1 3.07Å; D449-H485 PolarHBondContact OD1-ND1 3.26Å; W480-H485 HydrophobicContact CB-CB 4.42Å; W480-H485 HydrophobicContact CE3-CB 3.83Å; W480-H485 AromaticContact CE3-CD2 3.71Å; W480-H485 AromaticContact CE3-CG 3.53Å; W480-H485 AromaticContact CE3-ND1 3.96Å; W480-H485 AromaticContact CZ3-CD2 3.97Å; W480-H485 AromaticContact CZ3-CE1 3.91Å; W480-H485 AromaticContact CZ3-CG 3.87Å; W480-H485 AromaticContact CZ3-ND1 3.84Å; W480-H485 AromaticContact CZ3-NE2 4Å; W480-H485 VanDerWaalsContact O-CB 3.28Å; W480-H485 WeakPolarHBondContact O-CB 3.1Å; W480-H485 PolarHBondContact O-N 2.82Å; H485-F487 HydrophobicContact CB-CD2 4.34Å; H485-F487 HydrophobicContact CB-CE2 4.15Å; H485-F487 AromaticContact CD2-CD1 3.87Å; H485-F487 AromaticContact CD2-CD2 3.79Å; H485-F487 AromaticContact CD2-CE1 3.9Å; H485-F487 AromaticContact CD2-CE2 3.82Å; H485-F487 AromaticContact CD2-CG 3.81Å; H485-F487 AromaticContact CD2-CZ 3.87Å; H485-F487 PolarHBondContact O-N 2.81Å
486	K	98	Very high	95.7	Very high	37 Å²	37	12.1 Å²	12.1	16%	0.161	6%	0.063	C	C	.	.			trans	-80.8	61.2	-172	-63.9	-164.1	156.2	-179.7	0	112.8	W448 G484 A488 H489 R490 N550	W448-K486 HydrophobicContact CD2-CG 4.47Å; W448-K486 HydrophobicContact CH2-CD 4.05Å; W448-K486 VanDerWaalsContact CH2-NZ 3.31Å; W448-K486 HydrophobicContact CZ2-CD 3.61Å; W448-K486 HydrophobicContact CZ2-CG 4.24Å; G484-K486 PolarHBondContact O-N 2.91Å; K486-A488 VanDerWaalsContact C-N 3.31Å; K486-A488 PolarHBondContact O-N 2.83Å; K486-H489 HydrophobicContact CB-CB 4.2Å; K486-H489 PolarHBondContact O-N 3.05Å; K486-H489 VanDerWaalsContact O-N 3.14Å; K486-R490 HydrophobicContact CB-CG 4.34Å; K486-R490 WeakPolarHBondContact O-CB 3.41Å; K486-R490 WeakPolarHBondContact O-CG 3.09Å; K486-R490 PolarHBondContact O-N 2.95Å; K486-N550 VanDerWaalsContact C-OD1 3.3Å; K486-N550 WeakPolarHBondContact CA-OD1 3.44Å; K486-N550 HydrophobicContact CB-CB 4.15Å; K486-N550 WeakPolarHBondContact CB-OD1 3.34Å; K486-N550 HydrophobicContact CG-CB 4.05Å; K486-N550 PolarHBondContact O-OD1 3.32Å
487	F	97.3	Very high	95.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-51.1	-48.7	-175.4	-79.4	-80.4	0	0	0	112.5	W480 H485 H489 R490 V491 F507 F547	W480-F487 HydrophobicContact CB-CE2 3.93Å; W480-F487 HydrophobicContact CB-CZ 3.97Å; W480-F487 HydrophobicContact CE3-CZ 4.33Å; H485-F487 HydrophobicContact CB-CD2 4.34Å; H485-F487 HydrophobicContact CB-CE2 4.15Å; H485-F487 AromaticContact CD2-CD1 3.87Å; H485-F487 AromaticContact CD2-CD2 3.79Å; H485-F487 AromaticContact CD2-CE1 3.9Å; H485-F487 AromaticContact CD2-CE2 3.82Å; H485-F487 AromaticContact CD2-CG 3.81Å; H485-F487 AromaticContact CD2-CZ 3.87Å; H485-F487 PolarHBondContact O-N 2.81Å; F487-H489 PolarHBondContact O-N 3.14Å; F487-R490 PolarHBondContact O-N 3.36Å; F487-V491 WeakPolarHBondContact O-CB 3.4Å; F487-V491 WeakPolarHBondContact O-CG2 3.19Å; F487-V491 PolarHBondContact O-N 2.87Å; F487-F507 HydrophobicContact CE1-CB 4.01Å; F487-F507 AromaticContact CE1-CD1 3.8Å; F487-F507 HydrophobicContact CE1-CD1 3.8Å; F487-F507 AromaticContact CE1-CD2 3.95Å; F487-F507 HydrophobicContact CE1-CD2 3.95Å; F487-F507 HydrophobicContact CE1-CE1 4.18Å; F487-F507 HydrophobicContact CE1-CE2 4.32Å; F487-F507 AromaticContact CE1-CG 3.64Å; F487-F507 HydrophobicContact CE1-CG 3.64Å; F487-F507 HydrophobicContact CE1-CZ 4.42Å; F487-F507 HydrophobicContact CZ-CD1 4.44Å; F487-F507 AromaticContact CZ-CD2 3.91Å; F487-F507 HydrophobicContact CZ-CD2 3.91Å; F487-F507 HydrophobicContact CZ-CE2 4.03Å; F487-F507 HydrophobicContact CZ-CG 4.1Å; F487-F507 HydrophobicContact CZ-CZ 4.35Å; F487-F547 WeakPolarHBondContact CB-O 3.36Å; F487-F547 HydrophobicContact CD1-CB 4.11Å; F487-F547 AromaticContact CD1-CD1 3.99Å; F487-F547 HydrophobicContact CD1-CD1 3.99Å; F487-F547 HydrophobicContact CD1-CG 4.4Å; F487-F547 HydrophobicContact CD2-CD1 4.39Å; F487-F547 HydrophobicContact CE1-CB 4.49Å; F487-F547 AromaticContact CE1-CD1 3.54Å; F487-F547 HydrophobicContact CE1-CD1 3.54Å; F487-F547 HydrophobicContact CE1-CE1 4.13Å; F487-F547 HydrophobicContact CE1-CG 4.29Å; F487-F547 AromaticContact CE2-CD1 3.99Å; F487-F547 HydrophobicContact CE2-CD1 3.99Å; F487-F547 HydrophobicContact CG-CB 4.3Å; F487-F547 HydrophobicContact CG-CD1 4.4Å; F487-F547 AromaticContact CZ-CD1 3.55Å; F487-F547 HydrophobicContact CZ-CD1 3.55Å; F487-F547 AromaticContact CZ-CE1 3.92Å; F487-F547 HydrophobicContact CZ-CE1 3.92Å
488	A	95.8	Very high	94.4	Very high	19 Å²	19	18.6 Å²	18.6	16%	0.157	9%	0.093	C	C	.	.	H	α-helix	trans	-56.7	-44.5	179.6	0	0	0	0	0	113.5	K486 G492 H493 F549 N550	K486-A488 VanDerWaalsContact C-N 3.31Å; K486-A488 PolarHBondContact O-N 2.83Å; A488-G492 VanDerWaalsContact O-CA 3.24Å; A488-G492 WeakPolarHBondContact O-CA 3.16Å; A488-G492 PolarHBondContact O-N 2.9Å; A488-H493 PolarHBondContact O-N 3.06Å; A488-F549 PolarHBondContact N-O 2.87Å; A488-N550 PolarHBondContact N-OD1 3.02Å
489	H	94.4	Very high	93.5	Very high	62 Å²	62	21.4 Å²	21.4	29%	0.287	12%	0.122	S	C	.	.	H	α-helix	trans	-74.5	-41.4	178	-65.9	-168.9	0	0	0	112.6	K486 F487 V491 E502 N550	K486-H489 HydrophobicContact CB-CB 4.2Å; K486-H489 PolarHBondContact O-N 3.05Å; K486-H489 VanDerWaalsContact O-N 3.14Å; F487-H489 PolarHBondContact O-N 3.14Å; H489-V491 VanDerWaalsContact C-N 3.28Å; H489-V491 PolarHBondContact O-N 3.05Å; H489-E502 HydrophobicContact CB-CB 4.21Å; H489-N550 PolarHBondContact CD2-ND2 2.82Å; H489-N550 PolarHBondContact CD2-OD1 3.12Å; H489-N550 PolarHBondContact N-OD1 2.9Å; H489-N550 VanDerWaalsContact N-OD1 3.11Å; H489-N550 PolarHBondContact NE2-ND2 2.83Å
490	R	93.4	Very high	92.8	Very high	9 Å²	9	23.7 Å²	23.7	3%	0.034	14%	0.135	C	C	.	.	H	α-helix	trans	-67.3	-31.5	-176.7	-66.6	-73.7	174.2	-90.9	-0.6	111.9	D449 K486 F487 E502 R503 S504	D449-R490 IonicContact OD1-CZ 2.95Å; D449-R490 IonicContact OD1-NE 3.67Å; D449-R490 PolarHBondContact OD1-NE 3.25Å; D449-R490 IonicContact OD1-NH2 2.71Å; D449-R490 IonicContact OD2-CZ 3.64Å; D449-R490 IonicContact OD2-NE 3.63Å; D449-R490 PolarHBondContact OD2-NE 2.95Å; D449-R490 IonicContact OD2-NH2 3.3Å; D449-R490 PolarHBondContact OD2-NH2 3.33Å; K486-R490 HydrophobicContact CB-CG 4.34Å; K486-R490 WeakPolarHBondContact O-CB 3.41Å; K486-R490 WeakPolarHBondContact O-CG 3.09Å; K486-R490 PolarHBondContact O-N 2.95Å; F487-R490 PolarHBondContact O-N 3.36Å; R490-E502 IonicContact CZ-OE2 2.82Å; R490-E502 PolarHBondContact NH1-O 3.07Å; R490-E502 IonicContact NH1-OE2 3.88Å; R490-E502 PolarHBondContact NH1-OE2 3.24Å; R490-E502 IonicContact NH2-OE2 3.51Å; R490-R503 CarbonylContact O-C 3.5Å; R490-R503 VanDerWaalsContact O-CA 3.28Å; R490-R503 WeakPolarHBondContact O-CA 3.29Å; R490-S504 PolarHBondContact O-N 3.45Å
491	V	91.2	Very high	92.2	Very high	16 Å²	16	27.1 Å²	27.1	10%	0.097	16%	0.155	C	C	.	.	H	α-helix	trans	-97.6	-28.8	179	-177.9	0	0	0	0	112.9	K124 F487 H489 H493 V539 Y540	K124-V491 HydrophobicContact CD-CG1 4.17Å; K124-V491 WeakPolarHBondContact CE-O 3.38Å; K124-V491 PolarHBondContact NZ-O 2.88Å; F487-V491 WeakPolarHBondContact O-CB 3.4Å; F487-V491 WeakPolarHBondContact O-CG2 3.19Å; F487-V491 PolarHBondContact O-N 2.87Å; H489-V491 VanDerWaalsContact C-N 3.28Å; H489-V491 PolarHBondContact O-N 3.05Å; V491-H493 WeakPolarHBondContact CG1-CE1 3.34Å; V491-V539 HydrophobicContact CG2-CG1 3.74Å; V491-Y540 HydrophobicContact CG1-CD1 3.33Å; V491-Y540 HydrophobicContact CG1-CE1 3.64Å; V491-Y540 HydrophobicContact CG1-CG 4.4Å; V491-Y540 HydrophobicContact CG2-CE1 4.31Å
492	G	91.6	Very high	91.8	Very high	1 Å²	1	30 Å²	30	1%	0.01	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	51.7	-174.3	0	0	0	0	0	112.8	K124 A488 G494	K124-G492 PolarHBondContact NZ-O 2.99Å; A488-G492 VanDerWaalsContact O-CA 3.24Å; A488-G492 WeakPolarHBondContact O-CA 3.16Å; A488-G492 PolarHBondContact O-N 2.9Å; G492-G494 PolarHBondContact O-N 3.31Å
493	H	91.9	Very high	91.3	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.014	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	119.4	179.4	-67.8	-43.4	0	0	0	111.4	L173 F189 A488 V491 E495 V539 C542 F547	L173-H493 WeakPolarHBondContact CD1-O 3.32Å; F189-H493 HydrophobicContact CE1-CB 3.99Å; F189-H493 HydrophobicContact CZ-CB 3.82Å; A488-H493 PolarHBondContact O-N 3.06Å; V491-H493 WeakPolarHBondContact CG1-CE1 3.34Å; H493-E495 PolarHBondContact O-N 3Å; H493-V539 PolarHBondContact CE1-O 2.88Å; H493-C542 PolarHBondContact ND1-SG 3.06Å; H493-F547 PolarHBondContact NE2-O 2.92Å
494	G	89.9	Confident	90.9	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.021	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	15.5	174.4	0	0	0	0	0	116.6	F171 L173 S174 G492	F171-G494 CarbonylContact C-O 3.54Å; F171-G494 VanDerWaalsContact CA-O 3.25Å; F171-G494 WeakPolarHBondContact CA-O 3.49Å; L173-G494 WeakPolarHBondContact CB-O 2.92Å; L173-G494 PolarHBondContact N-O 3.05Å; S174-G494 PolarHBondContact N-O 3.07Å; G492-G494 PolarHBondContact O-N 3.31Å
495	E	90.1	Very high	90.5	Very high	42 Å²	42	32.2 Å²	32.2	20%	0.196	18%	0.18	C	C	.	.			trans	-107.9	128	176.9	-68.2	-163.1	-158.1	0	0	112.3	L173 H493 K497 R503	L173-E495 HydrophobicContact CB-CG 4.36Å; L173-E495 HydrophobicContact CD1-CG 4.37Å; H493-E495 PolarHBondContact O-N 3Å; E495-K497 PolarHBondContact O-N 3.23Å; E495-K497 IonicContact OE2-NZ 2.85Å; E495-R503 PolarHBondContact O-NH2 2.93Å
496	D	90.3	Very high	90.2	Very high	52 Å²	52	32.3 Å²	32.3	28%	0.278	18%	0.181	S	C	.	.	S	Bend	trans	-81.7	58	170.1	-163.7	5.1	0	0	0	111	Q167 F171 S174	Q167-D496 PolarHBondContact NE2-OD2 3.37Å; F171-D496 HydrophobicContact CB-CB 3.78Å; F171-D496 HydrophobicContact CD1-CB 4.05Å; F171-D496 HydrophobicContact CD2-CB 3.75Å; F171-D496 HydrophobicContact CE2-CB 4.31Å; F171-D496 HydrophobicContact CG-CB 3.6Å; S174-D496 PolarHBondContact OG-N 3.44Å
497	K	88	Confident	90.1	Very high	117 Å²	117	30.9 Å²	30.9	51%	0.509	18%	0.175	S	C	.	.			trans	-137.3	65.4	178.8	-64.7	-176.9	-169.6	160.6	0	110.3	E495 G499 D500 R503	E495-K497 PolarHBondContact O-N 3.23Å; E495-K497 IonicContact OE2-NZ 2.85Å; K497-G499 PolarHBondContact O-N 3.28Å; K497-G499 VanDerWaalsContact O-N 3.15Å; K497-D500 HydrophobicContact CB-CB 4.16Å; K497-D500 WeakPolarHBondContact O-CB 3.48Å; K497-D500 PolarHBondContact O-N 2.91Å; K497-R503 PolarHBondContact O-NE 2.64Å; K497-R503 PolarHBondContact O-NH2 2.63Å
498	P	80.5	Confident	89.9	Confident	28 Å²	28	31.1 Å²	31.1	18%	0.182	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.3	-176.6	24	-34.4	0	0	0	113.3	N100 R101	N100-P498 WeakPolarHBondContact ND2-CB 3.42Å; R101-P498 HydrophobicContact CB-CB 4.35Å; R101-P498 HydrophobicContact CB-CG 4.18Å; R101-P498 HydrophobicContact CG-CG 4.24Å
499	G	79.7	Confident	89.8	Confident	59 Å²	59	30.3 Å²	30.3	61%	0.608	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	5.7	176.4	0	0	0	0	0	115.4	K497 T501	K497-G499 PolarHBondContact O-N 3.28Å; K497-G499 VanDerWaalsContact O-N 3.15Å; G499-T501 PolarHBondContact O-N 3.21Å
500	D	84.6	Confident	90	Very high	48 Å²	48	27.4 Å²	27.4	26%	0.257	16%	0.156	S	C	.	.			trans	-58.1	123.6	178.2	-178.4	4.5	0	0	0	110	K497 E502 R503	K497-D500 HydrophobicContact CB-CB 4.16Å; K497-D500 WeakPolarHBondContact O-CB 3.48Å; K497-D500 PolarHBondContact O-N 2.91Å; D500-E502 PolarHBondContact O-N 3.24Å; D500-E502 PolarHBondContact OD1-N 3.36Å; D500-R503 HydrophobicContact CB-CG 4.3Å; D500-R503 PolarHBondContact O-N 2.77Å
501	T	87.1	Confident	90.2	Very high	71 Å²	71	27 Å²	27	44%	0.436	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-41	175.2	57.8	0	0	0	0	110.4	R361 G499 R503	R361-T501 WeakPolarHBondContact CD-O 3.47Å; R361-T501 PolarHBondContact NE-O 3.23Å; R361-T501 VanDerWaalsContact NH1-C 3.3Å; R361-T501 VanDerWaalsContact NH1-CA 3.32Å; R361-T501 PolarHBondContact NH1-O 2.75Å; R361-T501 PolarHBondContact NH2-O 3.47Å; G499-T501 PolarHBondContact O-N 3.21Å; T501-R503 PolarHBondContact O-N 2.94Å
502	E	89.9	Confident	90.3	Very high	61 Å²	61	26.2 Å²	26.2	29%	0.285	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.5	-173.3	-71.6	-63	116.8	0	0	116.6	H489 R490 D500	H489-E502 HydrophobicContact CB-CB 4.21Å; R490-E502 IonicContact CZ-OE2 2.82Å; R490-E502 PolarHBondContact NH1-O 3.07Å; R490-E502 IonicContact NH1-OE2 3.88Å; R490-E502 PolarHBondContact NH1-OE2 3.24Å; R490-E502 IonicContact NH2-OE2 3.51Å; D500-E502 PolarHBondContact O-N 3.24Å; D500-E502 PolarHBondContact OD1-N 3.36Å
503	R	88.3	Confident	90.6	Very high	24 Å²	24	26.1 Å²	26.1	9%	0.091	15%	0.149	C	C	.	.			trans	-69.7	131.7	176.7	-62.9	-174.7	-172.8	-156.3	-1.7	112	N100 R361 R490 E495 K497 D500 T501	N100-R503 PolarHBondContact OD1-NH1 3.18Å; R361-R503 WeakPolarHBondContact CD-O 3.46Å; R361-R503 WeakPolarHBondContact CG-O 3.49Å; R361-R503 PolarHBondContact NE-O 3.1Å; R490-R503 CarbonylContact O-C 3.5Å; R490-R503 VanDerWaalsContact O-CA 3.28Å; R490-R503 WeakPolarHBondContact O-CA 3.29Å; E495-R503 PolarHBondContact O-NH2 2.93Å; K497-R503 PolarHBondContact O-NE 2.64Å; K497-R503 PolarHBondContact O-NH2 2.63Å; D500-R503 HydrophobicContact CB-CG 4.3Å; D500-R503 PolarHBondContact O-N 2.77Å; T501-R503 PolarHBondContact O-N 2.94Å
504	S	88.9	Confident	90.9	Very high	10 Å²	10	26 Å²	26	7%	0.07	15%	0.148	C	C	.	.			trans	-165.1	140.5	-180	-170.9	0	0	0	0	111.9	I357 R490 V506	I357-S504 PolarHBondContact O-OG 2.82Å; R490-S504 PolarHBondContact O-N 3.45Å; S504-V506 PolarHBondContact O-N 3.47Å
505	P	90	Very high	91.2	Very high	13 Å²	13	26.6 Å²	26.6	8%	0.084	15%	0.15	C	C	.	.			trans	-81	41.1	-173.5	36.9	-40.2	0	0	0	113.8	M360 L392 W417 F507 L508 Q509	M360-P505 HydrophobicContact CB-CG 4.36Å; M360-P505 WeakPolarHBondContact O-CD 3.06Å; M360-P505 VanDerWaalsContact O-CG 3.22Å; M360-P505 WeakPolarHBondContact O-CG 3.31Å; L392-P505 HydrophobicContact CB-CG 4.18Å; L392-P505 HydrophobicContact CD2-CB 3.62Å; L392-P505 HydrophobicContact CD2-CG 3.68Å; L392-P505 HydrophobicContact CG-CG 4.49Å; W417-P505 HydrophobicContact CH2-CB 4.28Å; W417-P505 HydrophobicContact CH2-CG 4.04Å; W417-P505 HydrophobicContact CZ3-CG 4.07Å; P505-F507 PolarHBondContact O-N 3.23Å; P505-L508 HydrophobicContact CB-CB 4.06Å; P505-L508 HydrophobicContact CB-CD2 4.16Å; P505-L508 WeakPolarHBondContact O-CB 3.29Å; P505-L508 PolarHBondContact O-N 3.44Å; P505-Q509 PolarHBondContact O-N 2.89Å
506	V	94	Very high	91.5	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.024	14%	0.141	C	C	.	.	H	α-helix	trans	-59.7	-46.4	-174.1	178.6	0	0	0	0	111.7	I357 D449 Q453 W480 S504 Q509 F510	I357-V506 HydrophobicContact CG2-CG2 3.74Å; D449-V506 HydrophobicContact CB-CG1 3.91Å; D449-V506 HydrophobicContact CB-CG2 4.29Å; Q453-V506 HydrophobicContact CG-CG1 3.86Å; Q453-V506 PolarHBondContact NE2-O 3.47Å; W480-V506 HydrophobicContact CH2-CG1 4.18Å; W480-V506 HydrophobicContact CZ3-CG1 4.08Å; S504-V506 PolarHBondContact O-N 3.47Å; V506-Q509 PolarHBondContact O-N 2.97Å; V506-F510 PolarHBondContact O-N 2.88Å
507	F	96	Very high	91.9	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.035	13%	0.128	C	C	.	.	H	α-helix	trans	-69.4	-35.4	177.8	-171.1	-114.4	0	0	0	112.2	I476 W480 F487 P505 F510 I511 I535 M536 V539 F547	I476-F507 HydrophobicContact CD1-CZ 4Å; I476-F507 HydrophobicContact CG1-CE2 4.37Å; I476-F507 HydrophobicContact CG1-CZ 4.29Å; I476-F507 HydrophobicContact CG2-CE2 4.38Å; I476-F507 HydrophobicContact CG2-CZ 4.19Å; W480-F507 AromaticContact CD2-CD2 3.53Å; W480-F507 HydrophobicContact CD2-CD2 3.53Å; W480-F507 AromaticContact CD2-CE2 3.76Å; W480-F507 HydrophobicContact CD2-CE2 3.76Å; W480-F507 AromaticContact CE2-CD2 3.83Å; W480-F507 HydrophobicContact CE3-CB 4.38Å; W480-F507 AromaticContact CE3-CD2 3.4Å; W480-F507 HydrophobicContact CE3-CD2 3.4Å; W480-F507 VanDerWaalsContact CE3-CD2 3.4Å; W480-F507 HydrophobicContact CE3-CE2 4.1Å; W480-F507 HydrophobicContact CE3-CG 4.33Å; W480-F507 HydrophobicContact CG-CD2 4.19Å; W480-F507 AromaticContact CG-CE2 3.96Å; W480-F507 HydrophobicContact CG-CE2 3.96Å; W480-F507 HydrophobicContact CH2-CB 4.41Å; W480-F507 AromaticContact CH2-CD2 3.85Å; W480-F507 HydrophobicContact CH2-CD2 3.85Å; W480-F507 HydrophobicContact CZ2-CD2 4.02Å; W480-F507 HydrophobicContact CZ3-CB 3.93Å; W480-F507 AromaticContact CZ3-CD2 3.57Å; W480-F507 HydrophobicContact CZ3-CD2 3.57Å; W480-F507 HydrophobicContact CZ3-CG 4.24Å; F487-F507 HydrophobicContact CE1-CB 4.01Å; F487-F507 AromaticContact CE1-CD1 3.8Å; F487-F507 HydrophobicContact CE1-CD1 3.8Å; F487-F507 AromaticContact CE1-CD2 3.95Å; F487-F507 HydrophobicContact CE1-CD2 3.95Å; F487-F507 HydrophobicContact CE1-CE1 4.18Å; F487-F507 HydrophobicContact CE1-CE2 4.32Å; F487-F507 AromaticContact CE1-CG 3.64Å; F487-F507 HydrophobicContact CE1-CG 3.64Å; F487-F507 HydrophobicContact CE1-CZ 4.42Å; F487-F507 HydrophobicContact CZ-CD1 4.44Å; F487-F507 AromaticContact CZ-CD2 3.91Å; F487-F507 HydrophobicContact CZ-CD2 3.91Å; F487-F507 HydrophobicContact CZ-CE2 4.03Å; F487-F507 HydrophobicContact CZ-CG 4.1Å; F487-F507 HydrophobicContact CZ-CZ 4.35Å; P505-F507 PolarHBondContact O-N 3.23Å; F507-F510 AromaticContact CD2-CD1 3.85Å; F507-F510 HydrophobicContact CD2-CD1 3.85Å; F507-F510 AromaticContact CE2-CD1 3.66Å; F507-F510 HydrophobicContact CE2-CD1 3.66Å; F507-F510 AromaticContact CE2-CE1 3.92Å; F507-F510 HydrophobicContact CE2-CE1 3.92Å; F507-F510 HydrophobicContact CZ-CD1 4.42Å; F507-F510 WeakPolarHBondContact O-CB 3Å; F507-F510 PolarHBondContact O-N 3.23Å; F507-I511 HydrophobicContact CD1-CG1 4.2Å; F507-I511 HydrophobicContact CE1-CD1 4.17Å; F507-I511 HydrophobicContact CE1-CG1 3.92Å; F507-I511 HydrophobicContact CE2-CD1 4.39Å; F507-I511 HydrophobicContact CZ-CD1 3.93Å; F507-I511 HydrophobicContact CZ-CG1 4.12Å; F507-I511 WeakPolarHBondContact O-CG1 3.33Å; F507-I511 PolarHBondContact O-N 3.45Å; F507-I535 HydrophobicContact CE1-CG2 3.88Å; F507-I535 HydrophobicContact CZ-CG2 4.2Å; F507-M536 HydrophobicContact CD1-SD 3.9Å; F507-M536 HydrophobicContact CE1-SD 4.18Å; F507-V539 HydrophobicContact CD1-CG2 3.69Å; F507-V539 HydrophobicContact CE1-CG2 3.57Å; F507-F547 HydrophobicContact CE1-CE1 4.24Å; F507-F547 HydrophobicContact CE1-CZ 4.36Å; F507-F547 HydrophobicContact CZ-CE1 4.09Å; F507-F547 HydrophobicContact CZ-CZ 4.36Å
508	L	93.2	Very high	92.2	Very high	5 Å²	5	17.4 Å²	17.4	3%	0.026	11%	0.108	C	C	.	.	H	α-helix	trans	-62.3	-44.2	174	170.8	59	0	0	0	111.4	L392 W417 P505 F510 I511 D512 M536 W604 Y607 Y608	L392-L508 HydrophobicContact CD1-CD2 4.39Å; L392-L508 HydrophobicContact CD2-CD2 4.46Å; W417-L508 HydrophobicContact CH2-CD2 4.43Å; W417-L508 HydrophobicContact CZ2-CG 4.37Å; P505-L508 HydrophobicContact CB-CB 4.06Å; P505-L508 HydrophobicContact CB-CD2 4.16Å; P505-L508 WeakPolarHBondContact O-CB 3.29Å; P505-L508 PolarHBondContact O-N 3.44Å; L508-F510 PolarHBondContact O-N 3.1Å; L508-I511 PolarHBondContact O-N 3.41Å; L508-D512 WeakPolarHBondContact O-CB 3.2Å; L508-D512 PolarHBondContact O-N 3.24Å; L508-M536 HydrophobicContact CB-CE 3.79Å; L508-M536 HydrophobicContact CB-SD 4.45Å; L508-M536 HydrophobicContact CD1-CE 3.99Å; L508-M536 HydrophobicContact CD1-CG 4.42Å; L508-M536 HydrophobicContact CD1-SD 4.29Å; L508-M536 HydrophobicContact CG-CE 4.42Å; L508-W604 HydrophobicContact CD1-CZ3 4.43Å; L508-Y607 HydrophobicContact CD1-CD1 3.96Å; L508-Y607 HydrophobicContact CD1-CE1 3.3Å; L508-Y607 HydrophobicContact CD2-CE1 3.92Å; L508-Y607 HydrophobicContact CG-CE1 4.26Å; L508-Y608 HydrophobicContact CD2-CE1 4.26Å
509	Q	93.2	Very high	92.9	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.009	12%	0.115	C	C	.	.	H	α-helix	trans	-59	-37.1	174.7	-74.4	-178.2	-45.9	0	0	112.2	M360 W417 P505 V506 C513	M360-Q509 PolarHBondContact SD-NE2 3.09Å; W417-Q509 HydrophobicContact CH2-CG 3.43Å; W417-Q509 VanDerWaalsContact CH2-CG 3.43Å; W417-Q509 HydrophobicContact CZ2-CG 3.83Å; W417-Q509 HydrophobicContact CZ3-CG 4.04Å; P505-Q509 PolarHBondContact O-N 2.89Å; V506-Q509 PolarHBondContact O-N 2.97Å; Q509-C513 PolarHBondContact O-N 3.13Å; Q509-C513 PolarHBondContact O-SG 2.84Å
510	F	97.8	Very high	93.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.3	-51.3	173.3	159.8	-108.9	0	0	0	111.5	Q453 S456 L457 L460 F472 L475 I476 W480 V506 F507 L508 D512 C513 V514	Q453-F510 HydrophobicContact CG-CB 4.28Å; S456-F510 WeakPolarHBondContact OG-CD2 3.41Å; S456-F510 WeakPolarHBondContact OG-CE2 3.38Å; L457-F510 HydrophobicContact CD2-CD2 4.01Å; L457-F510 HydrophobicContact CD2-CE2 4.05Å; L457-F510 HydrophobicContact CG-CD2 3.88Å; L457-F510 HydrophobicContact CG-CE2 4.11Å; L460-F510 HydrophobicContact CD1-CE2 3.98Å; L460-F510 HydrophobicContact CD1-CZ 4.15Å; F472-F510 HydrophobicContact CE2-CZ 4.11Å; F472-F510 HydrophobicContact CZ-CE1 4.11Å; F472-F510 HydrophobicContact CZ-CZ 4.08Å; L475-F510 HydrophobicContact CD2-CZ 4.44Å; I476-F510 HydrophobicContact CG1-CE1 4.35Å; W480-F510 AromaticContact CE2-CD1 3.77Å; W480-F510 AromaticContact CE2-CG 3.89Å; W480-F510 HydrophobicContact CH2-CB 3.55Å; W480-F510 HydrophobicContact CH2-CD1 4.35Å; W480-F510 HydrophobicContact CH2-CG 4.02Å; W480-F510 HydrophobicContact CZ2-CB 3.29Å; W480-F510 AromaticContact CZ2-CD1 3.56Å; W480-F510 HydrophobicContact CZ2-CD1 3.56Å; W480-F510 AromaticContact CZ2-CD2 3.77Å; W480-F510 HydrophobicContact CZ2-CD2 3.77Å; W480-F510 HydrophobicContact CZ2-CE1 4.31Å; W480-F510 HydrophobicContact CZ2-CE2 4.49Å; W480-F510 AromaticContact CZ2-CG 3.24Å; W480-F510 HydrophobicContact CZ2-CG 3.24Å; W480-F510 AromaticContact NE1-CD1 3.85Å; W480-F510 AromaticContact NE1-CE1 3.71Å; W480-F510 AromaticContact NE1-CZ 3.88Å; V506-F510 PolarHBondContact O-N 2.88Å; F507-F510 AromaticContact CD2-CD1 3.85Å; F507-F510 HydrophobicContact CD2-CD1 3.85Å; F507-F510 AromaticContact CE2-CD1 3.66Å; F507-F510 HydrophobicContact CE2-CD1 3.66Å; F507-F510 AromaticContact CE2-CE1 3.92Å; F507-F510 HydrophobicContact CE2-CE1 3.92Å; F507-F510 HydrophobicContact CZ-CD1 4.42Å; F507-F510 WeakPolarHBondContact O-CB 3Å; F507-F510 PolarHBondContact O-N 3.23Å; L508-F510 PolarHBondContact O-N 3.1Å; F510-D512 VanDerWaalsContact C-N 3.27Å; F510-D512 PolarHBondContact O-N 3.03Å; F510-C513 WeakPolarHBondContact O-CA 3.43Å; F510-C513 WeakPolarHBondContact O-CB 3.11Å; F510-C513 PolarHBondContact O-N 2.88Å; F510-V514 HydrophobicContact CD2-CG2 4.14Å; F510-V514 HydrophobicContact CE1-CG2 4.26Å; F510-V514 HydrophobicContact CE2-CG2 3.67Å; F510-V514 HydrophobicContact CZ-CG2 3.74Å; F510-V514 WeakPolarHBondContact O-CG2 3.2Å; F510-V514 PolarHBondContact O-N 2.9Å
511	I	97.1	Very high	94.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.8	-35.8	-179.6	-62	-63.5	0	0	0	111.3	F472 F507 L508 V514 H515 L532 M536 W604	F472-I511 HydrophobicContact CE1-CD1 4.27Å; F472-I511 HydrophobicContact CZ-CD1 4.01Å; F507-I511 HydrophobicContact CD1-CG1 4.2Å; F507-I511 HydrophobicContact CE1-CD1 4.17Å; F507-I511 HydrophobicContact CE1-CG1 3.92Å; F507-I511 HydrophobicContact CE2-CD1 4.39Å; F507-I511 HydrophobicContact CZ-CD1 3.93Å; F507-I511 HydrophobicContact CZ-CG1 4.12Å; F507-I511 WeakPolarHBondContact O-CG1 3.33Å; F507-I511 PolarHBondContact O-N 3.45Å; L508-I511 PolarHBondContact O-N 3.41Å; I511-V514 WeakPolarHBondContact O-CB 3.26Å; I511-V514 PolarHBondContact O-N 2.87Å; I511-H515 PolarHBondContact O-N 3.34Å; I511-L532 HydrophobicContact CG2-CB 3.77Å; I511-L532 HydrophobicContact CG2-CD1 4.49Å; I511-L532 HydrophobicContact CG2-CD2 4.31Å; I511-L532 HydrophobicContact CG2-CG 4.41Å; I511-M536 HydrophobicContact CB-CG 4.26Å; I511-M536 HydrophobicContact CB-SD 3.98Å; I511-M536 HydrophobicContact CG1-CG 4.33Å; I511-M536 HydrophobicContact CG1-SD 3.68Å; I511-M536 HydrophobicContact CG2-CG 3.96Å; I511-M536 HydrophobicContact CG2-SD 4.34Å; I511-W604 HydrophobicContact CB-CZ3 4.48Å; I511-W604 HydrophobicContact CG2-CH2 3.51Å; I511-W604 HydrophobicContact CG2-CZ3 3.75Å
512	D	94.4	Very high	94.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.3	-47	170.9	-165.9	-32.3	0	0	0	110.9	W417 L421 L508 F510 V514 H515 Q516 W604 Y608	W417-D512 PolarHBondContact NE1-OD2 2.98Å; L421-D512 HydrophobicContact CD2-CB 3.95Å; L508-D512 WeakPolarHBondContact O-CB 3.2Å; L508-D512 PolarHBondContact O-N 3.24Å; F510-D512 VanDerWaalsContact C-N 3.27Å; F510-D512 PolarHBondContact O-N 3.03Å; D512-V514 VanDerWaalsContact C-N 3.26Å; D512-V514 PolarHBondContact O-N 2.79Å; D512-H515 CarbonylContact O-C 3.59Å; D512-H515 WeakPolarHBondContact O-CA 3.14Å; D512-H515 VanDerWaalsContact O-CB 3.31Å; D512-H515 WeakPolarHBondContact O-CB 3.48Å; D512-H515 PolarHBondContact O-N 2.87Å; D512-Q516 WeakPolarHBondContact O-CG 3.27Å; D512-Q516 PolarHBondContact O-N 2.97Å; D512-Q516 PolarHBondContact OD1-NE2 3.43Å; D512-W604 HydrophobicContact CB-CE3 4.19Å; D512-Y608 VanDerWaalsContact OD2-CE2 3.3Å; D512-Y608 WeakPolarHBondContact OD2-CE2 3.12Å; D512-Y608 PolarHBondContact OD2-OH 3.22Å
513	C	97.8	Very high	94.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.6	-36.1	173.7	-65.4	0	0	0	0	112.7	L423 L457 Q509 F510 Q516 L517	L423-C513 HydrophobicContact CD1-CB 4.29Å; L457-C513 HydrophobicContact CD1-CB 3.64Å; L457-C513 HydrophobicContact CD2-CB 3.6Å; L457-C513 HydrophobicContact CG-CB 4.27Å; Q509-C513 PolarHBondContact O-N 3.13Å; Q509-C513 PolarHBondContact O-SG 2.84Å; F510-C513 WeakPolarHBondContact O-CA 3.43Å; F510-C513 WeakPolarHBondContact O-CB 3.11Å; F510-C513 PolarHBondContact O-N 2.88Å; C513-Q516 WeakPolarHBondContact O-CB 3.45Å; C513-Q516 PolarHBondContact O-N 2.93Å; C513-L517 PolarHBondContact O-N 2.89Å; C513-L517 VanDerWaalsContact O-N 3.08Å
514	V	98.4	Very high	94.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.4	-39.5	173.6	-177.4	0	0	0	0	111	L457 L460 F472 F510 I511 D512 Q516 L517 L518 F527 L532	L457-V514 HydrophobicContact CD2-CG2 4.14Å; L460-V514 HydrophobicContact CD1-CG2 3.72Å; F472-V514 HydrophobicContact CE2-CB 4.46Å; F472-V514 HydrophobicContact CE2-CG1 3.78Å; F472-V514 HydrophobicContact CE2-CG2 3.91Å; F472-V514 HydrophobicContact CZ-CB 4.44Å; F472-V514 HydrophobicContact CZ-CG1 3.98Å; F472-V514 HydrophobicContact CZ-CG2 4.02Å; F510-V514 HydrophobicContact CD2-CG2 4.14Å; F510-V514 HydrophobicContact CE1-CG2 4.26Å; F510-V514 HydrophobicContact CE2-CG2 3.67Å; F510-V514 HydrophobicContact CZ-CG2 3.74Å; F510-V514 WeakPolarHBondContact O-CG2 3.2Å; F510-V514 PolarHBondContact O-N 2.9Å; I511-V514 WeakPolarHBondContact O-CB 3.26Å; I511-V514 PolarHBondContact O-N 2.87Å; D512-V514 VanDerWaalsContact C-N 3.26Å; D512-V514 PolarHBondContact O-N 2.79Å; V514-Q516 VanDerWaalsContact C-N 3.31Å; V514-Q516 PolarHBondContact O-N 3.37Å; V514-L517 PolarHBondContact O-N 2.68Å; V514-L518 WeakPolarHBondContact O-CB 3.38Å; V514-L518 PolarHBondContact O-N 3.04Å; V514-F527 HydrophobicContact CG1-CE2 3.81Å; V514-F527 HydrophobicContact CG1-CZ 3.88Å; V514-L532 HydrophobicContact CB-CD1 4.33Å; V514-L532 HydrophobicContact CG1-CD1 4.02Å; V514-L532 HydrophobicContact CG1-CD2 3.97Å
515	H	96.4	Very high	95.2	Very high	15 Å²	15	18.9 Å²	18.9	7%	0.069	10%	0.096	C	C	.	.	H	α-helix	trans	-59.8	-40.8	172.1	173.5	80.9	0	0	0	111.6	I511 D512 L517 L518 H519 L532 W604 E606	I511-H515 PolarHBondContact O-N 3.34Å; D512-H515 CarbonylContact O-C 3.59Å; D512-H515 WeakPolarHBondContact O-CA 3.14Å; D512-H515 VanDerWaalsContact O-CB 3.31Å; D512-H515 WeakPolarHBondContact O-CB 3.48Å; D512-H515 PolarHBondContact O-N 2.87Å; H515-L517 VanDerWaalsContact C-N 3.35Å; H515-L517 PolarHBondContact O-N 2.93Å; H515-L518 PolarHBondContact O-N 3.03Å; H515-H519 WeakPolarHBondContact O-CB 3.45Å; H515-H519 PolarHBondContact O-N 3.18Å; H515-L532 HydrophobicContact CB-CD1 4.12Å; H515-W604 HydrophobicContact CB-CD2 3.91Å; H515-W604 HydrophobicContact CB-CE3 4.17Å; H515-W604 HydrophobicContact CB-CG 4.33Å; H515-W604 HydrophobicContact CB-CZ2 4.25Å; H515-W604 HydrophobicContact CB-CZ3 4.49Å; H515-W604 AromaticContact CD2-CD1 3.58Å; H515-W604 AromaticContact CD2-CG 3.5Å; H515-W604 AromaticContact CE1-CD1 3.2Å; H515-W604 AromaticContact CE1-CG 3.93Å; H515-W604 AromaticContact CE1-NE1 3.41Å; H515-W604 PolarHBondContact CE1-NE1 2.94Å; H515-W604 AromaticContact CG-CD1 3.63Å; H515-W604 AromaticContact CG-CD2 3.72Å; H515-W604 AromaticContact CG-CE2 3.71Å; H515-W604 AromaticContact CG-CG 3.66Å; H515-W604 AromaticContact CG-NE1 3.67Å; H515-W604 AromaticContact ND1-CD1 3.41Å; H515-W604 AromaticContact ND1-CE2 3.62Å; H515-W604 AromaticContact ND1-CG 3.93Å; H515-W604 AromaticContact ND1-NE1 3.2Å; H515-W604 PolarHBondContact ND1-NE1 3.4Å; H515-W604 AromaticContact NE2-CD1 3.33Å; H515-W604 VanDerWaalsContact NE2-CD1 3.33Å; H515-W604 AromaticContact NE2-CG 3.7Å; H515-W604 AromaticContact NE2-NE1 3.97Å; H515-E606 IonicContact CE1-OE2 2.66Å
516	Q	96.8	Very high	95.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.4	-42.9	173.9	-55.1	-52.7	-41.3	0	0	111.9	L421 L423 D512 C513 V514 H519 Q520 I601 R602	L421-Q516 HydrophobicContact CD1-CG 3.98Å; L423-Q516 HydrophobicContact CD2-CB 4.09Å; D512-Q516 WeakPolarHBondContact O-CG 3.27Å; D512-Q516 PolarHBondContact O-N 2.97Å; D512-Q516 PolarHBondContact OD1-NE2 3.43Å; C513-Q516 WeakPolarHBondContact O-CB 3.45Å; C513-Q516 PolarHBondContact O-N 2.93Å; V514-Q516 VanDerWaalsContact C-N 3.31Å; V514-Q516 PolarHBondContact O-N 3.37Å; Q516-H519 PolarHBondContact O-N 2.69Å; Q516-Q520 WeakPolarHBondContact O-CG 3.14Å; Q516-Q520 PolarHBondContact O-N 2.96Å; Q516-I601 HydrophobicContact CB-CD1 4.36Å; Q516-I601 HydrophobicContact CG-CD1 4.17Å; Q516-I601 HydrophobicContact CG-CG2 4.45Å; Q516-R602 PolarHBondContact NE2-O 2.86Å; Q516-R602 PolarHBondContact OE1-O 3.09Å
517	L	97.2	Very high	95.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.3	-44.8	176.3	-74.3	171.5	0	0	0	112.3	L423 L457 M461 C513 V514 H515 H519 Q520 F521 F525 P594	L423-L517 HydrophobicContact CD1-CD1 4.25Å; L423-L517 HydrophobicContact CD1-CD2 4.14Å; L423-L517 HydrophobicContact CD1-CG 3.92Å; L457-L517 HydrophobicContact CD2-CD1 4.09Å; M461-L517 HydrophobicContact CE-CD1 4.09Å; M461-L517 HydrophobicContact CE-CD2 4.14Å; M461-L517 HydrophobicContact CG-CD1 4.27Å; M461-L517 HydrophobicContact CG-CD2 4.26Å; C513-L517 PolarHBondContact O-N 2.89Å; C513-L517 VanDerWaalsContact O-N 3.08Å; V514-L517 PolarHBondContact O-N 2.68Å; H515-L517 VanDerWaalsContact C-N 3.35Å; H515-L517 PolarHBondContact O-N 2.93Å; L517-H519 PolarHBondContact O-N 2.76Å; L517-Q520 PolarHBondContact O-N 2.62Å; L517-F521 HydrophobicContact CD2-CD2 4.17Å; L517-F521 HydrophobicContact CD2-CE2 4.07Å; L517-F521 WeakPolarHBondContact O-CD2 3.25Å; L517-F521 PolarHBondContact O-N 3.28Å; L517-F525 HydrophobicContact CB-CE2 3.95Å; L517-F525 HydrophobicContact CB-CZ 3.68Å; L517-F525 HydrophobicContact CD1-CZ 4.46Å; L517-P594 HydrophobicContact CD2-CB 3.84Å; L517-P594 HydrophobicContact CD2-CG 3.98Å
518	L	95.3	Very high	95.4	Very high	18 Å²	18	21 Å²	21	9%	0.094	11%	0.106	C	C	.	.	H	α-helix	trans	-58.5	-39.7	175.7	178.8	65.6	0	0	0	111.1	V514 H515 F521 P522 F525 L532	V514-L518 WeakPolarHBondContact O-CB 3.38Å; V514-L518 PolarHBondContact O-N 3.04Å; H515-L518 PolarHBondContact O-N 3.03Å; L518-F521 CarbonylContact O-C 3.39Å; L518-P522 VanDerWaalsContact O-CA 3.26Å; L518-P522 WeakPolarHBondContact O-CA 3.41Å; L518-F525 HydrophobicContact CB-CD2 4.38Å; L518-F525 HydrophobicContact CD1-CB 3.58Å; L518-F525 HydrophobicContact CD1-CD2 3.99Å; L518-F525 HydrophobicContact CD1-CG 3.99Å; L518-L532 HydrophobicContact CD2-CD1 4.36Å
519	H	94.3	Very high	95.4	Very high	69 Å²	69	21.5 Å²	21.5	32%	0.319	11%	0.109	S	C	.	.	H	α-helix	trans	-67.4	-44	177.7	179.9	-90.2	0	0	0	112.8	H515 Q516 L517 R602	H515-H519 WeakPolarHBondContact O-CB 3.45Å; H515-H519 PolarHBondContact O-N 3.18Å; Q516-H519 PolarHBondContact O-N 2.69Å; L517-H519 PolarHBondContact O-N 2.76Å; H519-R602 VanDerWaalsContact CE1-CD 3.45Å; H519-R602 WeakPolarHBondContact CE1-CD 3.14Å; H519-R602 PolarHBondContact CE1-NE 3.2Å; H519-R602 PolarHBondContact NE2-NE 3.45Å; H519-R602 PolarHBondContact NE2-NH1 3.29Å
520	Q	95.1	Very high	95.2	Very high	44 Å²	44	22.2 Å²	22.2	21%	0.206	11%	0.113	C	C	.	.	H	α-helix	trans	-75.3	-28.2	-179.7	-67	-173.8	37.2	0	0	113	Q516 L517 C595	Q516-Q520 WeakPolarHBondContact O-CG 3.14Å; Q516-Q520 PolarHBondContact O-N 2.96Å; L517-Q520 PolarHBondContact O-N 2.62Å; Q520-C595 PolarHBondContact NE2-O 3.25Å
521	F	95.1	Very high	95.1	Very high	35 Å²	35	22.2 Å²	22.2	15%	0.154	11%	0.113	C	C	.	.			trans	-130.1	62.2	-176.1	-53.1	-76.3	0	0	0	112.2	L517 L518 Q523 S524 F525 L589 L592 I593 P594	L517-F521 HydrophobicContact CD2-CD2 4.17Å; L517-F521 HydrophobicContact CD2-CE2 4.07Å; L517-F521 WeakPolarHBondContact O-CD2 3.25Å; L517-F521 PolarHBondContact O-N 3.28Å; L518-F521 CarbonylContact O-C 3.39Å; F521-Q523 PolarHBondContact O-N 2.65Å; F521-S524 WeakPolarHBondContact O-CB 3.09Å; F521-S524 PolarHBondContact O-N 3.04Å; F521-F525 HydrophobicContact CB-CE2 4.29Å; F521-L589 HydrophobicContact CD1-CD1 4.13Å; F521-L589 HydrophobicContact CE1-CD1 4.27Å; F521-L592 HydrophobicContact CB-CD1 4.3Å; F521-L592 HydrophobicContact CB-CD2 4.22Å; F521-L592 HydrophobicContact CD1-CD2 3.95Å; F521-L592 HydrophobicContact CD2-CB 4.21Å; F521-L592 HydrophobicContact CD2-CD1 4.06Å; F521-L592 HydrophobicContact CD2-CD2 4.29Å; F521-L592 HydrophobicContact CD2-CG 4.42Å; F521-L592 HydrophobicContact CE1-CD2 4.4Å; F521-L592 HydrophobicContact CE2-CB 4.08Å; F521-L592 HydrophobicContact CG-CD1 4.24Å; F521-L592 HydrophobicContact CG-CD2 3.89Å; F521-L592 HydrophobicContact CG-CG 4.48Å; F521-L592 HydrophobicContact CZ-CB 4.39Å; F521-I593 WeakPolarHBondContact CZ-O 3.45Å; F521-P594 HydrophobicContact CE2-CB 4.17Å
522	P	91.9	Very high	95	Very high	67 Å²	67	22.2 Å²	22.2	44%	0.435	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.2	-169.3	22.7	-34.5	0	0	0	114.4	L518 N580 T582	L518-P522 VanDerWaalsContact O-CA 3.26Å; L518-P522 WeakPolarHBondContact O-CA 3.41Å; P522-N580 PolarHBondContact O-ND2 3.5Å; P522-T582 PolarHBondContact O-OG1 2.94Å
523	Q	92.7	Very high	94.8	Very high	105 Å²	105	22.3 Å²	22.3	49%	0.491	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.6	179.5	-59.1	-177.1	7.9	0	0	113.9	F521 T582 N584	F521-Q523 PolarHBondContact O-N 2.65Å; Q523-T582 WeakPolarHBondContact CA-O 3.47Å; Q523-T582 WeakPolarHBondContact CB-O 3.26Å; Q523-T582 WeakPolarHBondContact CG-O 3.45Å; Q523-N584 HydrophobicContact CB-CB 4.41Å; Q523-N584 PolarHBondContact O-N 3Å
524	S	95.9	Very high	94.5	Very high	11 Å²	11	22.5 Å²	22.5	8%	0.077	12%	0.115	C	C	.	.	S	Bend	trans	-92.8	-7.5	-172.1	-63.1	0	0	0	0	114.5	R467 F521	R467-S524 WeakPolarHBondContact CB-O 3.49Å; R467-S524 VanDerWaalsContact CD-O 3.28Å; R467-S524 WeakPolarHBondContact CD-O 3.35Å; F521-S524 WeakPolarHBondContact O-CB 3.09Å; F521-S524 PolarHBondContact O-N 3.04Å
525	F	96.6	Very high	94.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.			trans	-122	130.9	-176.1	-65.3	-87.7	0	0	0	111	L460 R467 L517 L518 F521 F527 N580 F583 L592	L460-F525 HydrophobicContact CD2-CE1 4.38Å; R467-F525 HydrophobicContact CB-CD1 3.74Å; R467-F525 HydrophobicContact CB-CE1 4.04Å; R467-F525 HydrophobicContact CB-CG 4.41Å; R467-F525 HydrophobicContact CG-CD1 4.07Å; R467-F525 HydrophobicContact CG-CE1 3.82Å; R467-F525 HydrophobicContact CG-CZ 4.42Å; R467-F525 WeakPolarHBondContact O-CA 3.42Å; L517-F525 HydrophobicContact CB-CE2 3.95Å; L517-F525 HydrophobicContact CB-CZ 3.68Å; L517-F525 HydrophobicContact CD1-CZ 4.46Å; L518-F525 HydrophobicContact CB-CD2 4.38Å; L518-F525 HydrophobicContact CD1-CB 3.58Å; L518-F525 HydrophobicContact CD1-CD2 3.99Å; L518-F525 HydrophobicContact CD1-CG 3.99Å; F521-F525 HydrophobicContact CB-CE2 4.29Å; F525-F527 VanDerWaalsContact C-N 3.34Å; F525-F527 HydrophobicContact CB-CE2 4.34Å; F525-F527 HydrophobicContact CB-CZ 4.36Å; F525-F527 AromaticContact CD1-CE1 3.84Å; F525-F527 HydrophobicContact CD1-CE1 3.84Å; F525-F527 AromaticContact CD1-CE2 3.91Å; F525-F527 HydrophobicContact CD1-CE2 3.91Å; F525-F527 AromaticContact CD1-CZ 3.35Å; F525-F527 HydrophobicContact CD1-CZ 3.35Å; F525-F527 HydrophobicContact CE1-CZ 4Å; F525-F527 HydrophobicContact CG-CE2 4.39Å; F525-F527 HydrophobicContact CG-CZ 4.2Å; F525-N580 WeakPolarHBondContact O-CB 3.47Å; F525-N580 PolarHBondContact O-ND2 3.26Å; F525-F583 WeakPolarHBondContact O-CD2 3Å; F525-L592 HydrophobicContact CE2-CD1 3.8Å; F525-L592 HydrophobicContact CZ-CD1 3.73Å
526	E	95.9	Very high	94.1	Very high	52 Å²	52	21.8 Å²	21.8	24%	0.243	11%	0.112	C	C	.	.	S	Bend	trans	-73.2	-29.8	177.4	-172	-177	-166.4	0	0	111.7	R467 T468 I469 T579 N580 F583	R467-E526 PolarHBondContact O-N 3.22Å; T468-E526 WeakPolarHBondContact CA-OE2 3.34Å; T468-E526 WeakPolarHBondContact CB-OE2 3.3Å; I469-E526 HydrophobicContact CD1-CG 4.09Å; I469-E526 HydrophobicContact CG1-CB 4.27Å; I469-E526 HydrophobicContact CG1-CG 4Å; I469-E526 PolarHBondContact N-OE2 3.35Å; E526-T579 CarbonylContact O-C 3.53Å; E526-T579 WeakPolarHBondContact O-CA 2.94Å; E526-N580 WeakPolarHBondContact O-CB 3.42Å; E526-N580 PolarHBondContact O-N 2.94Å; E526-F583 VanDerWaalsContact CA-CG 3.5Å; E526-F583 HydrophobicContact CB-CD1 3.74Å; E526-F583 HydrophobicContact CB-CD2 4.22Å; E526-F583 HydrophobicContact CB-CE1 3.74Å; E526-F583 HydrophobicContact CB-CE2 4.22Å; E526-F583 HydrophobicContact CB-CG 3.98Å; E526-F583 HydrophobicContact CB-CZ 3.99Å; E526-F583 HydrophobicContact CG-CD1 3.81Å; E526-F583 HydrophobicContact CG-CE1 3.97Å; E526-F583 HydrophobicContact CG-CG 4.4Å; E526-F583 VanDerWaalsContact N-CD2 3.32Å
527	F	96.1	Very high	93.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-89.3	155.7	177.2	54.8	-97.4	0	0	0	112.3	I469 F472 V514 F525 F531 L532 F578	I469-F527 HydrophobicContact CG1-CB 3.91Å; F472-F527 HydrophobicContact CB-CD1 4.02Å; F472-F527 HydrophobicContact CB-CE1 3.62Å; F472-F527 HydrophobicContact CB-CZ 4.45Å; F472-F527 HydrophobicContact CD1-CE1 4.36Å; F472-F527 AromaticContact CD2-CE1 3.57Å; F472-F527 HydrophobicContact CD2-CE1 3.57Å; F472-F527 AromaticContact CD2-CZ 3.58Å; F472-F527 HydrophobicContact CD2-CZ 3.58Å; F472-F527 HydrophobicContact CE2-CE1 4.31Å; F472-F527 AromaticContact CE2-CZ 3.86Å; F472-F527 HydrophobicContact CE2-CZ 3.86Å; F472-F527 HydrophobicContact CG-CD1 4.22Å; F472-F527 AromaticContact CG-CE1 3.59Å; F472-F527 HydrophobicContact CG-CE1 3.59Å; F472-F527 AromaticContact CG-CZ 3.96Å; F472-F527 HydrophobicContact CG-CZ 3.96Å; F472-F527 HydrophobicContact CZ-CZ 4.42Å; V514-F527 HydrophobicContact CG1-CE2 3.81Å; V514-F527 HydrophobicContact CG1-CZ 3.88Å; F525-F527 VanDerWaalsContact C-N 3.34Å; F525-F527 HydrophobicContact CB-CE2 4.34Å; F525-F527 HydrophobicContact CB-CZ 4.36Å; F525-F527 AromaticContact CD1-CE1 3.84Å; F525-F527 HydrophobicContact CD1-CE1 3.84Å; F525-F527 AromaticContact CD1-CE2 3.91Å; F525-F527 HydrophobicContact CD1-CE2 3.91Å; F525-F527 AromaticContact CD1-CZ 3.35Å; F525-F527 HydrophobicContact CD1-CZ 3.35Å; F525-F527 HydrophobicContact CE1-CZ 4Å; F525-F527 HydrophobicContact CG-CE2 4.39Å; F525-F527 HydrophobicContact CG-CZ 4.2Å; F527-F531 HydrophobicContact CB-CB 3.93Å; F527-F531 HydrophobicContact CB-CD1 3.42Å; F527-F531 VanDerWaalsContact CB-CD1 3.42Å; F527-F531 HydrophobicContact CB-CE1 4.02Å; F527-F531 HydrophobicContact CB-CG 3.81Å; F527-F531 HydrophobicContact CD1-CD1 4.29Å; F527-F531 HydrophobicContact CD1-CE1 4.28Å; F527-F531 HydrophobicContact CD2-CD1 4.01Å; F527-F531 AromaticContact CG-CD1 3.66Å; F527-F531 HydrophobicContact CG-CD1 3.66Å; F527-F531 HydrophobicContact CG-CE1 4.1Å; F527-F531 HydrophobicContact CG-CG 4.49Å; F527-L532 HydrophobicContact CD2-CD2 4.01Å; F527-L532 HydrophobicContact CD2-CG 4.29Å; F527-L532 HydrophobicContact CE2-CD1 4.43Å; F527-L532 HydrophobicContact CE2-CD2 3.76Å; F527-L532 HydrophobicContact CE2-CG 4.27Å; F527-F578 CarbonylContact C-O 3.51Å; F527-F578 VanDerWaalsContact CA-O 3.28Å; F527-F578 WeakPolarHBondContact CA-O 3.44Å
528	N	93.2	Very high	93.4	Very high	19 Å²	19	22.6 Å²	22.6	10%	0.102	12%	0.116	C	C	.	.			trans	-104.2	179.1	176.4	66.4	29.3	0	0	0	112.5	L530 F531 Q577 F578 T579 N580	N528-L530 VanDerWaalsContact C-N 3.27Å; N528-L530 PolarHBondContact O-N 3.41Å; N528-L530 VanDerWaalsContact OD1-CB 3.31Å; N528-L530 WeakPolarHBondContact OD1-CB 3.32Å; N528-L530 PolarHBondContact OD1-N 3.04Å; N528-F531 WeakPolarHBondContact O-CB 3.41Å; N528-F531 PolarHBondContact O-N 3.44Å; N528-F531 PolarHBondContact OD1-N 2.96Å; N528-F531 VanDerWaalsContact OD1-N 3.1Å; N528-Q577 PolarHBondContact ND2-O 3.2Å; N528-F578 PolarHBondContact N-O 2.69Å; N528-F578 PolarHBondContact ND2-O 3.02Å; N528-F578 PolarHBondContact OD1-O 3.07Å; N528-T579 PolarHBondContact ND2-O 3.11Å; N528-N580 HydrophobicContact CB-CB 4.29Å
529	S	91.8	Very high	93.4	Very high	14 Å²	14	21.9 Å²	21.9	10%	0.098	11%	0.112	C	C	.	.	H	α-helix	trans	-63.7	-30.5	-179.6	-168.5	0	0	0	0	112.8	F531 L532 I533 W604	S529-F531 VanDerWaalsContact C-N 3.3Å; S529-F531 PolarHBondContact O-N 2.84Å; S529-L532 WeakPolarHBondContact O-CB 3.2Å; S529-L532 PolarHBondContact O-N 3.39Å; S529-I533 WeakPolarHBondContact O-CG1 3.43Å; S529-I533 PolarHBondContact O-N 3.14Å; S529-W604 PolarHBondContact OG-NE1 3.26Å
530	L	90.3	Very high	93.1	Very high	18 Å²	18	19.5 Å²	19.5	9%	0.094	10%	0.1	C	C	.	.	H	α-helix	trans	-64.9	-34.7	177.5	-179.1	65.3	0	0	0	111.9	N528 I533 S534 F578 L618 M621	N528-L530 VanDerWaalsContact C-N 3.27Å; N528-L530 PolarHBondContact O-N 3.41Å; N528-L530 VanDerWaalsContact OD1-CB 3.31Å; N528-L530 WeakPolarHBondContact OD1-CB 3.32Å; N528-L530 PolarHBondContact OD1-N 3.04Å; L530-I533 PolarHBondContact O-N 2.64Å; L530-S534 WeakPolarHBondContact O-CB 3.45Å; L530-S534 PolarHBondContact O-N 3.2Å; L530-S534 PolarHBondContact O-OG 3.06Å; L530-F578 HydrophobicContact CD2-CE1 4.33Å; L530-F578 HydrophobicContact CG-CD1 4.32Å; L530-F578 HydrophobicContact CG-CE1 4.1Å; L530-L618 HydrophobicContact CD1-CD1 4.02Å; L530-M621 HydrophobicContact CB-SD 4.14Å
531	F	94.4	Very high	92.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.1	-47.7	173.2	-177.3	-112.3	0	0	0	111.6	I469 F472 E473 F527 N528 S529 I533 S534 I535 L571 F578	I469-F531 HydrophobicContact CG2-CE2 4.18Å; I469-F531 HydrophobicContact CG2-CZ 4.11Å; F472-F531 HydrophobicContact CD1-CD1 4.46Å; F472-F531 AromaticContact CD1-CE1 3.64Å; F472-F531 HydrophobicContact CD1-CE1 3.64Å; F472-F531 HydrophobicContact CD1-CZ 4.5Å; F472-F531 HydrophobicContact CE1-CE1 4.26Å; F472-F531 HydrophobicContact CG-CE1 4.41Å; E473-F531 HydrophobicContact CG-CZ 4.17Å; F527-F531 HydrophobicContact CB-CB 3.93Å; F527-F531 HydrophobicContact CB-CD1 3.42Å; F527-F531 VanDerWaalsContact CB-CD1 3.42Å; F527-F531 HydrophobicContact CB-CE1 4.02Å; F527-F531 HydrophobicContact CB-CG 3.81Å; F527-F531 HydrophobicContact CD1-CD1 4.29Å; F527-F531 HydrophobicContact CD1-CE1 4.28Å; F527-F531 HydrophobicContact CD2-CD1 4.01Å; F527-F531 AromaticContact CG-CD1 3.66Å; F527-F531 HydrophobicContact CG-CD1 3.66Å; F527-F531 HydrophobicContact CG-CE1 4.1Å; F527-F531 HydrophobicContact CG-CG 4.49Å; N528-F531 WeakPolarHBondContact O-CB 3.41Å; N528-F531 PolarHBondContact O-N 3.44Å; N528-F531 PolarHBondContact OD1-N 2.96Å; N528-F531 VanDerWaalsContact OD1-N 3.1Å; S529-F531 VanDerWaalsContact C-N 3.3Å; S529-F531 PolarHBondContact O-N 2.84Å; F531-I533 PolarHBondContact O-N 3.03Å; F531-S534 PolarHBondContact O-N 3.04Å; F531-I535 HydrophobicContact CD1-CD1 3.86Å; F531-I535 HydrophobicContact CE1-CD1 3.57Å; F531-I535 HydrophobicContact CE2-CD1 4.43Å; F531-I535 HydrophobicContact CG-CD1 4.45Å; F531-I535 HydrophobicContact CZ-CD1 3.87Å; F531-I535 WeakPolarHBondContact O-CG1 3.31Å; F531-I535 PolarHBondContact O-N 3.05Å; F531-L571 HydrophobicContact CD2-CD1 4.25Å; F531-L571 HydrophobicContact CE2-CB 4.17Å; F531-L571 HydrophobicContact CE2-CD1 3.78Å; F531-L571 HydrophobicContact CE2-CG 4.5Å; F531-F578 HydrophobicContact CB-CB 3.96Å; F531-F578 HydrophobicContact CB-CD1 3.89Å; F531-F578 HydrophobicContact CB-CG 4.18Å; F531-F578 HydrophobicContact CD2-CB 3.78Å; F531-F578 HydrophobicContact CD2-CD1 4.1Å; F531-F578 HydrophobicContact CD2-CD2 4.24Å; F531-F578 AromaticContact CD2-CG 3.77Å; F531-F578 HydrophobicContact CD2-CG 3.77Å; F531-F578 HydrophobicContact CG-CB 4.23Å; F531-F578 HydrophobicContact CG-CG 4.45Å
532	L	95.4	Very high	92.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.3	-43	177.7	-59.9	-176.4	0	0	0	112	F472 I511 V514 H515 L518 F527 S529 I535 M536 W604	F472-L532 HydrophobicContact CE1-CD2 3.9Å; F472-L532 HydrophobicContact CZ-CD2 3.89Å; I511-L532 HydrophobicContact CG2-CB 3.77Å; I511-L532 HydrophobicContact CG2-CD1 4.49Å; I511-L532 HydrophobicContact CG2-CD2 4.31Å; I511-L532 HydrophobicContact CG2-CG 4.41Å; V514-L532 HydrophobicContact CB-CD1 4.33Å; V514-L532 HydrophobicContact CG1-CD1 4.02Å; V514-L532 HydrophobicContact CG1-CD2 3.97Å; H515-L532 HydrophobicContact CB-CD1 4.12Å; L518-L532 HydrophobicContact CD2-CD1 4.36Å; F527-L532 HydrophobicContact CD2-CD2 4.01Å; F527-L532 HydrophobicContact CD2-CG 4.29Å; F527-L532 HydrophobicContact CE2-CD1 4.43Å; F527-L532 HydrophobicContact CE2-CD2 3.76Å; F527-L532 HydrophobicContact CE2-CG 4.27Å; S529-L532 WeakPolarHBondContact O-CB 3.2Å; S529-L532 PolarHBondContact O-N 3.39Å; L532-I535 PolarHBondContact O-N 3.06Å; L532-M536 PolarHBondContact O-N 2.76Å; L532-M536 VanDerWaalsContact O-N 3.11Å; L532-W604 HydrophobicContact CB-CH2 3.93Å; L532-W604 HydrophobicContact CB-CZ2 3.98Å
533	I	90.1	Very high	92.8	Very high	2 Å²	2	13 Å²	13	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-63.2	-43.8	176.3	-67	167.4	0	0	0	110.8	S529 L530 F531 I535 M536 D537 W604 E606 Y607 L618 M621	S529-I533 WeakPolarHBondContact O-CG1 3.43Å; S529-I533 PolarHBondContact O-N 3.14Å; L530-I533 PolarHBondContact O-N 2.64Å; F531-I533 PolarHBondContact O-N 3.03Å; I533-I535 VanDerWaalsContact C-N 3.35Å; I533-I535 PolarHBondContact O-N 3.49Å; I533-M536 WeakPolarHBondContact O-CB 3.47Å; I533-M536 PolarHBondContact O-N 3.26Å; I533-M536 VanDerWaalsContact O-N 3.12Å; I533-D537 PolarHBondContact O-N 3.5Å; I533-W604 HydrophobicContact CD1-CZ2 4.44Å; I533-W604 HydrophobicContact CG1-CH2 4.35Å; I533-W604 HydrophobicContact CG1-CZ2 3.66Å; I533-E606 HydrophobicContact CD1-CB 4.23Å; I533-E606 VanDerWaalsContact CD1-O 3.29Å; I533-E606 WeakPolarHBondContact CD1-O 3.44Å; I533-Y607 HydrophobicContact CG1-CD2 4.3Å; I533-L618 HydrophobicContact CD1-CD1 4.32Å; I533-M621 HydrophobicContact CD1-CE 3.5Å
534	S	90.9	Very high	92.9	Very high	3 Å²	3	8.2 Å²	8.2	2%	0.021	4%	0.043	C	C	.	.	H	α-helix	trans	-65.8	-37.6	-179.1	-57.7	0	0	0	0	112.1	L530 F531 D537 H538 F578	L530-S534 WeakPolarHBondContact O-CB 3.45Å; L530-S534 PolarHBondContact O-N 3.2Å; L530-S534 PolarHBondContact O-OG 3.06Å; F531-S534 PolarHBondContact O-N 3.04Å; S534-D537 PolarHBondContact O-N 3.15Å; S534-H538 PolarHBondContact O-CD2 2.85Å; S534-H538 VanDerWaalsContact O-CD2 3.23Å; S534-H538 PolarHBondContact O-N 3.13Å; S534-F578 WeakPolarHBondContact OG-CE1 3.44Å
535	I	94.9	Very high	93	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-58	-51.4	169.7	-71.4	168.3	0	0	0	109.6	F472 I476 F507 F531 L532 I533 D537 H538 V539 F547 W568 L571	F472-I535 HydrophobicContact CD1-CD1 4.15Å; F472-I535 HydrophobicContact CE1-CD1 3.82Å; I476-I535 HydrophobicContact CD1-CD1 4.15Å; F507-I535 HydrophobicContact CE1-CG2 3.88Å; F507-I535 HydrophobicContact CZ-CG2 4.2Å; F531-I535 HydrophobicContact CD1-CD1 3.86Å; F531-I535 HydrophobicContact CE1-CD1 3.57Å; F531-I535 HydrophobicContact CE2-CD1 4.43Å; F531-I535 HydrophobicContact CG-CD1 4.45Å; F531-I535 HydrophobicContact CZ-CD1 3.87Å; F531-I535 WeakPolarHBondContact O-CG1 3.31Å; F531-I535 PolarHBondContact O-N 3.05Å; L532-I535 PolarHBondContact O-N 3.06Å; I533-I535 VanDerWaalsContact C-N 3.35Å; I533-I535 PolarHBondContact O-N 3.49Å; I535-D537 VanDerWaalsContact C-N 3.32Å; I535-D537 PolarHBondContact O-N 2.97Å; I535-H538 CarbonylContact O-C 3.51Å; I535-H538 PolarHBondContact O-N 3.44Å; I535-V539 HydrophobicContact CG2-CG2 4.46Å; I535-V539 WeakPolarHBondContact O-CG2 3.37Å; I535-V539 PolarHBondContact O-N 3.25Å; I535-F547 HydrophobicContact CG2-CE2 4.17Å; I535-F547 HydrophobicContact CG2-CZ 3.93Å; I535-W568 HydrophobicContact CD1-CH2 4.4Å; I535-W568 HydrophobicContact CD1-CZ3 4.04Å; I535-W568 HydrophobicContact CG1-CH2 4.47Å; I535-W568 HydrophobicContact CG1-CZ3 4.02Å; I535-L571 HydrophobicContact CG1-CD1 3.86Å
536	M	92.5	Very high	93.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.8	-37.4	-178.6	-73.2	-54.1	-47.3	0	0	112.9	F507 L508 I511 L532 I533 H538 V539 Y540 Y607	F507-M536 HydrophobicContact CD1-SD 3.9Å; F507-M536 HydrophobicContact CE1-SD 4.18Å; L508-M536 HydrophobicContact CB-CE 3.79Å; L508-M536 HydrophobicContact CB-SD 4.45Å; L508-M536 HydrophobicContact CD1-CE 3.99Å; L508-M536 HydrophobicContact CD1-CG 4.42Å; L508-M536 HydrophobicContact CD1-SD 4.29Å; L508-M536 HydrophobicContact CG-CE 4.42Å; I511-M536 HydrophobicContact CB-CG 4.26Å; I511-M536 HydrophobicContact CB-SD 3.98Å; I511-M536 HydrophobicContact CG1-CG 4.33Å; I511-M536 HydrophobicContact CG1-SD 3.68Å; I511-M536 HydrophobicContact CG2-CG 3.96Å; I511-M536 HydrophobicContact CG2-SD 4.34Å; L532-M536 PolarHBondContact O-N 2.76Å; L532-M536 VanDerWaalsContact O-N 3.11Å; I533-M536 WeakPolarHBondContact O-CB 3.47Å; I533-M536 PolarHBondContact O-N 3.26Å; I533-M536 VanDerWaalsContact O-N 3.12Å; M536-H538 VanDerWaalsContact C-N 3.26Å; M536-H538 PolarHBondContact O-N 3.14Å; M536-V539 WeakPolarHBondContact O-CB 3.37Å; M536-V539 PolarHBondContact O-N 3Å; M536-V539 HydrophobicContact SD-CG2 4.45Å; M536-Y540 HydrophobicContact CE-CE2 3.56Å; M536-Y540 WeakPolarHBondContact CE-OH 3.24Å; M536-Y540 WeakPolarHBondContact O-CD2 3.33Å; M536-Y540 VanDerWaalsContact O-CE2 3.26Å; M536-Y540 WeakPolarHBondContact O-CE2 3.41Å; M536-Y607 HydrophobicContact CB-CD2 4.47Å; M536-Y607 HydrophobicContact CB-CE2 3.59Å; M536-Y607 HydrophobicContact CG-CE2 4.02Å
537	D	87.4	Confident	93.1	Very high	8 Å²	8	5.4 Å²	5.4	4%	0.043	3%	0.029	C	C	.	.	H	α-helix	trans	-59.5	-41.6	174.1	-74	-21.4	0	0	0	111.6	F127 I533 S534 I535 Y540 S541 R610	F127-D537 HydrophobicContact CE2-CB 4.27Å; F127-D537 HydrophobicContact CZ-CB 3.79Å; I533-D537 PolarHBondContact O-N 3.5Å; S534-D537 PolarHBondContact O-N 3.15Å; I535-D537 VanDerWaalsContact C-N 3.32Å; I535-D537 PolarHBondContact O-N 2.97Å; D537-Y540 PolarHBondContact O-N 2.87Å; D537-S541 PolarHBondContact O-N 3.44Å; D537-S541 VanDerWaalsContact O-N 3.17Å; D537-R610 VanDerWaalsContact CG-NH1 3.26Å; D537-R610 IonicContact OD1-CZ 3.8Å; D537-R610 IonicContact OD1-NH1 3.66Å; D537-R610 PolarHBondContact OD1-NH1 3.43Å; D537-R610 IonicContact OD1-NH2 3.67Å; D537-R610 PolarHBondContact OD1-NH2 3.27Å; D537-R610 IonicContact OD2-CZ 2.67Å; D537-R610 IonicContact OD2-NH1 3.11Å; D537-R610 PolarHBondContact OD2-NH1 2.93Å
538	H	92.8	Very high	93.2	Very high	10 Å²	10	5.5 Å²	5.5	5%	0.046	3%	0.029	C	C	.	.	H	α-helix	trans	-81.9	-17.8	-177.7	-71.9	-47.6	0	0	0	115.1	S534 I535 M536 Y540 S541 F544 V567 F570	S534-H538 PolarHBondContact O-CD2 2.85Å; S534-H538 VanDerWaalsContact O-CD2 3.23Å; S534-H538 PolarHBondContact O-N 3.13Å; I535-H538 CarbonylContact O-C 3.51Å; I535-H538 PolarHBondContact O-N 3.44Å; M536-H538 VanDerWaalsContact C-N 3.26Å; M536-H538 PolarHBondContact O-N 3.14Å; H538-Y540 VanDerWaalsContact C-N 3.3Å; H538-Y540 PolarHBondContact O-N 3.27Å; H538-S541 WeakPolarHBondContact CA-OG 3.4Å; H538-S541 PolarHBondContact ND1-OG 2.67Å; H538-S541 PolarHBondContact O-OG 3.46Å; H538-F544 HydrophobicContact CB-CD2 4.08Å; H538-F544 HydrophobicContact CB-CE2 4.4Å; H538-F544 AromaticContact CD2-CE2 3.86Å; H538-F544 AromaticContact CE1-CE2 3.72Å; H538-F544 AromaticContact CG-CD2 3.82Å; H538-F544 AromaticContact CG-CE2 3.67Å; H538-F544 AromaticContact ND1-CD2 3.86Å; H538-F544 AromaticContact ND1-CE2 3.56Å; H538-F544 AromaticContact NE2-CE2 3.88Å; H538-V567 HydrophobicContact CB-CG2 3.63Å; H538-F570 AromaticContact NE2-CD1 3.8Å; H538-F570 AromaticContact NE2-CE1 3.43Å; H538-F570 WeakPolarHBondContact NE2-CE1 3.31Å
539	V	93.2	Very high	93.3	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.012	3%	0.03	C	C	.	.	H	α-helix	trans	-54.7	-48.7	165	171.2	0	0	0	0	109.5	V491 H493 F507 I535 M536 F547	V491-V539 HydrophobicContact CG2-CG1 3.74Å; H493-V539 PolarHBondContact CE1-O 2.88Å; F507-V539 HydrophobicContact CD1-CG2 3.69Å; F507-V539 HydrophobicContact CE1-CG2 3.57Å; I535-V539 HydrophobicContact CG2-CG2 4.46Å; I535-V539 WeakPolarHBondContact O-CG2 3.37Å; I535-V539 PolarHBondContact O-N 3.25Å; M536-V539 WeakPolarHBondContact O-CB 3.37Å; M536-V539 PolarHBondContact O-N 3Å; M536-V539 HydrophobicContact SD-CG2 4.45Å; V539-F547 HydrophobicContact CB-CD2 4.27Å; V539-F547 HydrophobicContact CG2-CD1 4.37Å; V539-F547 HydrophobicContact CG2-CD2 3.68Å; V539-F547 HydrophobicContact CG2-CE1 4.49Å; V539-F547 HydrophobicContact CG2-CE2 3.81Å; V539-F547 HydrophobicContact CG2-CG 3.97Å; V539-F547 HydrophobicContact CG2-CZ 4.24Å
540	Y	89.9	Confident	93.6	Very high	19 Å²	19	5.8 Å²	5.8	8%	0.075	3%	0.028	C	C	.	.	H	α-helix	trans	-84.3	-32.2	-175.6	-55.4	-76.8	0	0	0	114.1	G97 K124 V125 V491 M536 D537 H538 C542	G97-Y540 CarbonylContact C-O 3.15Å; G97-Y540 WeakPolarHBondContact CA-O 3.17Å; G97-Y540 VanDerWaalsContact O-O 3.11Å; K124-Y540 HydrophobicContact CB-CD1 4Å; K124-Y540 HydrophobicContact CB-CE1 4.33Å; K124-Y540 HydrophobicContact CD-CD1 4Å; V125-Y540 HydrophobicContact CB-CD2 3.97Å; V125-Y540 HydrophobicContact CB-CE2 3.96Å; V125-Y540 HydrophobicContact CB-CG 4.48Å; V125-Y540 HydrophobicContact CG1-CD2 4.43Å; V125-Y540 HydrophobicContact CG1-CE2 4.27Å; V125-Y540 HydrophobicContact CG2-CD1 4Å; V125-Y540 HydrophobicContact CG2-CD2 3.49Å; V125-Y540 VanDerWaalsContact CG2-CD2 3.49Å; V125-Y540 HydrophobicContact CG2-CE1 3.61Å; V125-Y540 HydrophobicContact CG2-CE2 3.07Å; V125-Y540 HydrophobicContact CG2-CG 3.97Å; V125-Y540 WeakPolarHBondContact CG2-OH 3.32Å; V491-Y540 HydrophobicContact CG1-CD1 3.33Å; V491-Y540 HydrophobicContact CG1-CE1 3.64Å; V491-Y540 HydrophobicContact CG1-CG 4.4Å; V491-Y540 HydrophobicContact CG2-CE1 4.31Å; M536-Y540 HydrophobicContact CE-CE2 3.56Å; M536-Y540 WeakPolarHBondContact CE-OH 3.24Å; M536-Y540 WeakPolarHBondContact O-CD2 3.33Å; M536-Y540 VanDerWaalsContact O-CE2 3.26Å; M536-Y540 WeakPolarHBondContact O-CE2 3.41Å; D537-Y540 PolarHBondContact O-N 2.87Å; H538-Y540 VanDerWaalsContact C-N 3.3Å; H538-Y540 PolarHBondContact O-N 3.27Å; Y540-C542 PolarHBondContact O-N 2.83Å; Y540-C542 VanDerWaalsContact O-N 3.08Å; Y540-C542 PolarHBondContact O-SG 3.11Å
541	S	89.7	Confident	94	Very high	2 Å²	2	5 Å²	5	1%	0.014	3%	0.025	C	C	.	.	H	α-helix	trans	-58.9	-27	-167.8	69.7	0	0	0	0	115.5	Y64 D537 H538 R543	Y64-S541 WeakPolarHBondContact CE2-O 3.17Å; D537-S541 PolarHBondContact O-N 3.44Å; D537-S541 VanDerWaalsContact O-N 3.17Å; H538-S541 WeakPolarHBondContact CA-OG 3.4Å; H538-S541 PolarHBondContact ND1-OG 2.67Å; H538-S541 PolarHBondContact O-OG 3.46Å; S541-R543 PolarHBondContact O-N 2.63Å; S541-R543 WeakPolarHBondContact OG-CB 3.46Å; S541-R543 PolarHBondContact OG-N 3.14Å; S541-R543 VanDerWaalsContact OG-N 3.14Å
542	C	92.9	Very high	94.2	Very high	6 Å²	6	6.2 Å²	6.2	4%	0.041	3%	0.03	C	C	.	.			trans	55.3	24.3	-168.1	-53.9	0	0	0	0	113.5	F189 A191 H493 Y540 L548	F189-C542 HydrophobicContact CD1-CB 4.12Å; A191-C542 PolarHBondContact N-O 2.72Å; A191-C542 VanDerWaalsContact N-O 3.13Å; H493-C542 PolarHBondContact ND1-SG 3.06Å; Y540-C542 PolarHBondContact O-N 2.83Å; Y540-C542 VanDerWaalsContact O-N 3.08Å; Y540-C542 PolarHBondContact O-SG 3.11Å; C542-L548 HydrophobicContact CB-CD2 4.29Å
543	R	92.2	Very high	94.3	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.008	3%	0.033	C	C	.	.			trans	-73.4	-34.1	175.2	-175.5	176.7	170.4	-172.1	2.3	112.9	H31 Y64 F190 A191 E196 S541	H31-R543 PolarHBondContact O-NH2 3.47Å; Y64-R543 HydrophobicContact CE2-CB 3.68Å; Y64-R543 HydrophobicContact CE2-CG 4.23Å; F190-R543 HydrophobicContact CD1-CG 4.26Å; F190-R543 HydrophobicContact CE1-CG 4.22Å; A191-R543 WeakPolarHBondContact CA-O 3.32Å; E196-R543 IonicContact OE1-NE 2.75Å; E196-R543 PolarHBondContact OE1-NE 3.23Å; E196-R543 IonicContact OE2-CZ 2.75Å; E196-R543 VanDerWaalsContact OE2-CZ 3.28Å; E196-R543 IonicContact OE2-NE 3.38Å; E196-R543 PolarHBondContact OE2-NE 3.46Å; E196-R543 VanDerWaalsContact OE2-NE 3.11Å; E196-R543 IonicContact OE2-NH2 3.6Å; E196-R543 PolarHBondContact OE2-NH2 3.01Å; S541-R543 PolarHBondContact O-N 2.63Å; S541-R543 WeakPolarHBondContact OG-CB 3.46Å; S541-R543 PolarHBondContact OG-N 3.14Å; S541-R543 VanDerWaalsContact OG-N 3.14Å
544	F	95.5	Very high	94.6	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.018	5%	0.048	C	C	.	.	S	Bend	trans	-121	155.3	-175.7	-56.7	-70.8	0	0	0	110.4	F198 H538 T546 N565 V567 F570	F198-F544 AromaticContact CE2-CE1 3.99Å; F198-F544 HydrophobicContact CE2-CE1 3.99Å; F198-F544 AromaticContact CZ-CE1 3.88Å; F198-F544 HydrophobicContact CZ-CE1 3.88Å; F198-F544 HydrophobicContact CZ-CZ 4.36Å; H538-F544 HydrophobicContact CB-CD2 4.08Å; H538-F544 HydrophobicContact CB-CE2 4.4Å; H538-F544 AromaticContact CD2-CE2 3.86Å; H538-F544 AromaticContact CE1-CE2 3.72Å; H538-F544 AromaticContact CG-CD2 3.82Å; H538-F544 AromaticContact CG-CE2 3.67Å; H538-F544 AromaticContact ND1-CD2 3.86Å; H538-F544 AromaticContact ND1-CE2 3.56Å; H538-F544 AromaticContact NE2-CE2 3.88Å; F544-T546 VanDerWaalsContact C-N 3.3Å; F544-T546 PolarHBondContact O-N 3.38Å; F544-N565 WeakPolarHBondContact CA-O 3.39Å; F544-N565 WeakPolarHBondContact CB-O 3.42Å; F544-N565 HydrophobicContact CD1-CB 3.98Å; F544-N565 HydrophobicContact CE1-CB 4.37Å; F544-V567 HydrophobicContact CB-CB 4.04Å; F544-V567 HydrophobicContact CD2-CB 3.74Å; F544-V567 HydrophobicContact CD2-CG2 3.7Å; F544-V567 HydrophobicContact CE2-CB 4.39Å; F544-V567 HydrophobicContact CE2-CG2 4Å; F544-V567 HydrophobicContact CG-CB 3.93Å; F544-V567 HydrophobicContact CG-CG2 4.39Å; F544-F570 HydrophobicContact CE1-CB 3.83Å; F544-F570 HydrophobicContact CE2-CB 4.16Å; F544-F570 HydrophobicContact CE2-CD1 4.11Å; F544-F570 HydrophobicContact CE2-CG 4.27Å; F544-F570 HydrophobicContact CZ-CB 3.39Å; F544-F570 AromaticContact CZ-CD1 3.99Å; F544-F570 HydrophobicContact CZ-CD1 3.99Å; F544-F570 HydrophobicContact CZ-CD2 4.4Å; F544-F570 AromaticContact CZ-CG 3.68Å; F544-F570 HydrophobicContact CZ-CG 3.68Å
545	G	96.9	Very high	94.9	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-76.5	-14.1	179.8	0	0	0	0	0	114.9	F547 L548 T564 N565	G545-F547 PolarHBondContact O-N 3.27Å; G545-L548 PolarHBondContact O-N 2.96Å; G545-L548 VanDerWaalsContact O-N 3.16Å; G545-T564 WeakPolarHBondContact CA-OG1 3.14Å; G545-N565 PolarHBondContact N-O 2.95Å
546	T	98.2	Very high	94.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-47.6	-169.8	-55.9	0	0	0	0	113.7	E477 F544 S566 V567 W568	E477-T546 WeakPolarHBondContact OE1-CG2 3.28Å; F544-T546 VanDerWaalsContact C-N 3.3Å; F544-T546 PolarHBondContact O-N 3.38Å; T546-S566 WeakPolarHBondContact OG1-CA 3.41Å; T546-S566 PolarHBondContact OG1-OG 3.4Å; T546-V567 HydrophobicContact CG2-CG1 3.77Å; T546-V567 WeakPolarHBondContact OG1-CG1 3.42Å; T546-V567 PolarHBondContact OG1-N 2.87Å; T546-W568 HydrophobicContact CG2-CZ2 3.86Å
547	F	97.7	Very high	95	Very high	5 Å²	5	24.8 Å²	24.8	2%	0.022	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	15.6	-176.3	-57	-60.1	0	0	0	113.2	I476 F487 H493 F507 I535 V539 G545 V567 W568	I476-F547 HydrophobicContact CG2-CE1 3.71Å; I476-F547 HydrophobicContact CG2-CZ 4.2Å; F487-F547 WeakPolarHBondContact CB-O 3.36Å; F487-F547 HydrophobicContact CD1-CB 4.11Å; F487-F547 AromaticContact CD1-CD1 3.99Å; F487-F547 HydrophobicContact CD1-CD1 3.99Å; F487-F547 HydrophobicContact CD1-CG 4.4Å; F487-F547 HydrophobicContact CD2-CD1 4.39Å; F487-F547 HydrophobicContact CE1-CB 4.49Å; F487-F547 AromaticContact CE1-CD1 3.54Å; F487-F547 HydrophobicContact CE1-CD1 3.54Å; F487-F547 HydrophobicContact CE1-CE1 4.13Å; F487-F547 HydrophobicContact CE1-CG 4.29Å; F487-F547 AromaticContact CE2-CD1 3.99Å; F487-F547 HydrophobicContact CE2-CD1 3.99Å; F487-F547 HydrophobicContact CG-CB 4.3Å; F487-F547 HydrophobicContact CG-CD1 4.4Å; F487-F547 AromaticContact CZ-CD1 3.55Å; F487-F547 HydrophobicContact CZ-CD1 3.55Å; F487-F547 AromaticContact CZ-CE1 3.92Å; F487-F547 HydrophobicContact CZ-CE1 3.92Å; H493-F547 PolarHBondContact NE2-O 2.92Å; F507-F547 HydrophobicContact CE1-CE1 4.24Å; F507-F547 HydrophobicContact CE1-CZ 4.36Å; F507-F547 HydrophobicContact CZ-CE1 4.09Å; F507-F547 HydrophobicContact CZ-CZ 4.36Å; I535-F547 HydrophobicContact CG2-CE2 4.17Å; I535-F547 HydrophobicContact CG2-CZ 3.93Å; V539-F547 HydrophobicContact CB-CD2 4.27Å; V539-F547 HydrophobicContact CG2-CD1 4.37Å; V539-F547 HydrophobicContact CG2-CD2 3.68Å; V539-F547 HydrophobicContact CG2-CE1 4.49Å; V539-F547 HydrophobicContact CG2-CE2 3.81Å; V539-F547 HydrophobicContact CG2-CG 3.97Å; V539-F547 HydrophobicContact CG2-CZ 4.24Å; G545-F547 PolarHBondContact O-N 3.27Å; F547-V567 HydrophobicContact CE2-CG1 4.01Å; F547-V567 HydrophobicContact CZ-CG1 4.43Å; F547-W568 AromaticContact CZ-CH2 3.96Å; F547-W568 HydrophobicContact CZ-CH2 3.96Å; F547-W568 HydrophobicContact CZ-CZ2 4.15Å
548	L	96.3	Very high	95.2	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	11%	0.111	C	C	.	.			trans	-84.3	158.7	173.1	-59.9	-176.4	0	0	0	110.9	F189 A191 F192 C542 G545	F189-L548 HydrophobicContact CB-CD1 4.16Å; F189-L548 HydrophobicContact CD2-CD1 3.96Å; F189-L548 HydrophobicContact CD2-CD2 4.34Å; F189-L548 HydrophobicContact CG-CD1 4.22Å; A191-L548 HydrophobicContact CB-CD1 3.88Å; F192-L548 HydrophobicContact CE2-CD1 4.04Å; C542-L548 HydrophobicContact CB-CD2 4.29Å; G545-L548 PolarHBondContact O-N 2.96Å; G545-L548 VanDerWaalsContact O-N 3.16Å
549	F	96.9	Very high	95.3	Very high	27 Å²	27	27.6 Å²	27.6	12%	0.118	12%	0.124	C	C	.	.	S	Bend	trans	65.3	-178.7	178.4	-47.8	-80.4	0	0	0	114.1	N187 F192 A488 E554 R555 V558 V560	N187-F549 WeakPolarHBondContact ND2-CZ 2.72Å; F192-F549 AromaticContact CE2-CE2 3.98Å; F192-F549 HydrophobicContact CE2-CE2 3.98Å; F192-F549 AromaticContact CE2-CZ 3.86Å; F192-F549 HydrophobicContact CE2-CZ 3.86Å; F192-F549 AromaticContact CZ-CE2 3.88Å; F192-F549 HydrophobicContact CZ-CE2 3.88Å; F192-F549 AromaticContact CZ-CZ 3.79Å; F192-F549 HydrophobicContact CZ-CZ 3.79Å; A488-F549 PolarHBondContact N-O 2.87Å; F549-E554 HydrophobicContact CB-CB 3.86Å; F549-E554 HydrophobicContact CD1-CB 4.47Å; F549-E554 HydrophobicContact CG-CB 4.4Å; F549-R555 HydrophobicContact CB-CG 4.05Å; F549-R555 HydrophobicContact CD2-CG 3.89Å; F549-R555 HydrophobicContact CG-CG 4.34Å; F549-V558 HydrophobicContact CD2-CG2 4.25Å; F549-V558 HydrophobicContact CE1-CG1 4.02Å; F549-V558 HydrophobicContact CE1-CG2 4.05Å; F549-V558 HydrophobicContact CE2-CG2 3.64Å; F549-V558 HydrophobicContact CZ-CB 4.26Å; F549-V558 HydrophobicContact CZ-CG1 4.17Å; F549-V558 HydrophobicContact CZ-CG2 3.54Å; F549-V560 HydrophobicContact CE2-CB 4.37Å; F549-V560 HydrophobicContact CE2-CG2 4.06Å
550	N	97.9	Very high	95.5	Very high	11 Å²	11	27.5 Å²	27.5	6%	0.059	12%	0.123	C	C	.	.	S	Bend	trans	-114.9	-7.7	-173.4	-60.7	-62.5	0	0	0	114.7	G484 K486 A488 H489 E554	G484-N550 CarbonylContact C-O 3.55Å; G484-N550 WeakPolarHBondContact CA-O 3Å; K486-N550 VanDerWaalsContact C-OD1 3.3Å; K486-N550 WeakPolarHBondContact CA-OD1 3.44Å; K486-N550 HydrophobicContact CB-CB 4.15Å; K486-N550 WeakPolarHBondContact CB-OD1 3.34Å; K486-N550 HydrophobicContact CG-CB 4.05Å; K486-N550 PolarHBondContact O-OD1 3.32Å; A488-N550 PolarHBondContact N-OD1 3.02Å; H489-N550 PolarHBondContact CD2-ND2 2.82Å; H489-N550 PolarHBondContact CD2-OD1 3.12Å; H489-N550 PolarHBondContact N-OD1 2.9Å; H489-N550 VanDerWaalsContact N-OD1 3.11Å; H489-N550 PolarHBondContact NE2-ND2 2.83Å; N550-E554 WeakPolarHBondContact CB-OE2 2.85Å; N550-E554 PolarHBondContact N-OE2 3.2Å; N550-E554 PolarHBondContact ND2-OE2 2.66Å
551	S	98.2	Very high	95.7	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.021	14%	0.138	C	C	.	.	S	Bend	trans	-156.7	160.5	-179.2	62.8	0	0	0	0	112.1	N239 C553 E554 R555	N239-S551 PolarHBondContact O-OG 3.33Å; S551-C553 PolarHBondContact O-N 2.86Å; S551-E554 PolarHBondContact O-N 3.22Å; S551-E554 WeakPolarHBondContact OG-CG 3.32Å; S551-E554 PolarHBondContact OG-N 3.36Å; S551-E554 VanDerWaalsContact OG-N 3.13Å; S551-R555 PolarHBondContact O-N 2.8Å; S551-R555 VanDerWaalsContact O-N 3.08Å
552	E	98.1	Very high	95.9	Very high	24 Å²	24	38.1 Å²	38.1	11%	0.112	17%	0.173	C	C	.	.	H	α-helix	trans	-57.4	-38.4	169.4	-164.5	-175.9	78.4	0	0	111.9	Y235 P242 N243 S482 E554 R555 W556	Y235-E552 HydrophobicContact CE1-CB 4.15Å; Y235-E552 HydrophobicContact CE1-CG 4.27Å; Y235-E552 VanDerWaalsContact CE1-OE1 3.23Å; Y235-E552 WeakPolarHBondContact CE1-OE1 3.37Å; Y235-E552 WeakPolarHBondContact OH-CG 3.33Å; Y235-E552 PolarHBondContact OH-OE1 3.47Å; P242-E552 WeakPolarHBondContact CA-OE1 3.35Å; N243-E552 PolarHBondContact N-OE1 3.12Å; S482-E552 WeakPolarHBondContact CB-OE2 3.07Å; E552-E554 PolarHBondContact O-N 3.36Å; E552-R555 PolarHBondContact O-N 2.88Å; E552-W556 WeakPolarHBondContact O-CB 3.35Å; E552-W556 PolarHBondContact O-N 3.44Å
553	C	97.8	Very high	96	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.061	19%	0.193	C	C	.	.	H	α-helix	trans	-59.7	-45.1	176.8	-176	0	0	0	0	112.2	Y235 N239 S551 W556 K557	Y235-C553 VanDerWaalsContact CB-SG 3.58Å; Y235-C553 HydrophobicContact CD1-CB 3.72Å; Y235-C553 HydrophobicContact CD2-CB 3.94Å; Y235-C553 HydrophobicContact CE1-CB 4.19Å; Y235-C553 HydrophobicContact CE2-CB 4.39Å; Y235-C553 HydrophobicContact CG-CB 3.58Å; N239-C553 HydrophobicContact CB-CB 4.49Å; N239-C553 WeakPolarHBondContact O-CB 3.06Å; S551-C553 PolarHBondContact O-N 2.86Å; C553-W556 PolarHBondContact O-N 3.28Å; C553-K557 WeakPolarHBondContact O-CG 3.35Å; C553-K557 PolarHBondContact O-N 2.71Å
554	E	97.1	Very high	96.2	Very high	68 Å²	68	43.2 Å²	43.2	32%	0.318	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-45.5	176.1	-74.2	170.4	-154.1	0	0	111.5	F549 N550 S551 E552 W556 K557 V558	F549-E554 HydrophobicContact CB-CB 3.86Å; F549-E554 HydrophobicContact CD1-CB 4.47Å; F549-E554 HydrophobicContact CG-CB 4.4Å; N550-E554 WeakPolarHBondContact CB-OE2 2.85Å; N550-E554 PolarHBondContact N-OE2 3.2Å; N550-E554 PolarHBondContact ND2-OE2 2.66Å; S551-E554 PolarHBondContact O-N 3.22Å; S551-E554 WeakPolarHBondContact OG-CG 3.32Å; S551-E554 PolarHBondContact OG-N 3.36Å; S551-E554 VanDerWaalsContact OG-N 3.13Å; E552-E554 PolarHBondContact O-N 3.36Å; E554-W556 VanDerWaalsContact C-N 3.29Å; E554-W556 PolarHBondContact O-N 3.47Å; E554-K557 PolarHBondContact O-N 3.4Å; E554-V558 WeakPolarHBondContact O-CG2 3.17Å; E554-V558 PolarHBondContact O-N 3.27Å
555	R	96.6	Very high	96.2	Very high	5 Å²	5	44.6 Å²	44.6	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-58.4	-39.7	175.9	-76.4	-157.9	-55.2	-83	-8.3	112.5	C481 F549 S551 E552 V558 D559 V560	C481-R555 PolarHBondContact O-NH1 3.42Å; C481-R555 PolarHBondContact O-NH2 3.06Å; F549-R555 HydrophobicContact CB-CG 4.05Å; F549-R555 HydrophobicContact CD2-CG 3.89Å; F549-R555 HydrophobicContact CG-CG 4.34Å; S551-R555 PolarHBondContact O-N 2.8Å; S551-R555 VanDerWaalsContact O-N 3.08Å; E552-R555 PolarHBondContact O-N 2.88Å; R555-V558 WeakPolarHBondContact O-CG2 3.42Å; R555-D559 PolarHBondContact O-N 2.83Å; R555-V560 HydrophobicContact CB-CG1 3.49Å; R555-V560 VanDerWaalsContact CB-CG1 3.49Å; R555-V560 HydrophobicContact CG-CG1 3.76Å; R555-V560 WeakPolarHBondContact O-CG1 3.36Å; R555-V560 PolarHBondContact O-N 2.73Å
556	W	94.9	Very high	96.2	Very high	169 Å²	169	44.6 Å²	44.6	64%	0.64	20%	0.203	S	C	*	.	H	α-helix	trans	-66.5	-46.4	176.1	178.3	78.7	0	0	0	112	Y235 E552 C553 E554 V558 D559	Y235-W556 HydrophobicContact CD2-CE3 4.47Å; Y235-W556 HydrophobicContact CE2-CB 4.09Å; Y235-W556 HydrophobicContact CE2-CD2 4.15Å; Y235-W556 HydrophobicContact CE2-CE3 4.28Å; Y235-W556 HydrophobicContact CE2-CG 4.06Å; E552-W556 WeakPolarHBondContact O-CB 3.35Å; E552-W556 PolarHBondContact O-N 3.44Å; C553-W556 PolarHBondContact O-N 3.28Å; E554-W556 VanDerWaalsContact C-N 3.29Å; E554-W556 PolarHBondContact O-N 3.47Å; W556-V558 VanDerWaalsContact C-N 3.27Å; W556-V558 PolarHBondContact O-N 2.86Å; W556-D559 PolarHBondContact O-N 3.14Å
557	K	94.8	Very high	96.2	Very high	145 Å²	145	44.6 Å²	44.6	63%	0.63	20%	0.203	S	C	*	.	H	α-helix	trans	-59.4	-34.9	-179.5	-76.5	174.5	179.7	177.8	0	113.6	C553 E554	C553-K557 WeakPolarHBondContact O-CG 3.35Å; C553-K557 PolarHBondContact O-N 2.71Å; E554-K557 PolarHBondContact O-N 3.4Å
558	V	92.8	Very high	96.2	Very high	17 Å²	17	44.4 Å²	44.4	10%	0.103	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-4.1	178.2	-59.7	0	0	0	0	113.4	F192 F549 E554 R555 W556 V560 K563	F192-V558 HydrophobicContact CZ-CG2 4.1Å; F549-V558 HydrophobicContact CD2-CG2 4.25Å; F549-V558 HydrophobicContact CE1-CG1 4.02Å; F549-V558 HydrophobicContact CE1-CG2 4.05Å; F549-V558 HydrophobicContact CE2-CG2 3.64Å; F549-V558 HydrophobicContact CZ-CB 4.26Å; F549-V558 HydrophobicContact CZ-CG1 4.17Å; F549-V558 HydrophobicContact CZ-CG2 3.54Å; E554-V558 WeakPolarHBondContact O-CG2 3.17Å; E554-V558 PolarHBondContact O-N 3.27Å; R555-V558 WeakPolarHBondContact O-CG2 3.42Å; W556-V558 VanDerWaalsContact C-N 3.27Å; W556-V558 PolarHBondContact O-N 2.86Å; V558-V560 HydrophobicContact CG2-CB 4.01Å; V558-K563 WeakPolarHBondContact O-CD 3.23Å; V558-K563 PolarHBondContact O-NZ 3Å
559	D	94.7	Very high	96.2	Very high	59 Å²	59	44.3 Å²	44.3	32%	0.316	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	47	-177.7	-168.2	31.6	0	0	0	113.7	R555 W556 H561 H562 K563	R555-D559 PolarHBondContact O-N 2.83Å; W556-D559 PolarHBondContact O-N 3.14Å; D559-H561 VanDerWaalsContact C-N 3.28Å; D559-H561 PolarHBondContact O-N 3.11Å; D559-H562 PolarHBondContact O-N 3.35Å; D559-H562 IonicContact OD1-CE1 2.71Å; D559-H562 IonicContact OD1-CG 3.31Å; D559-H562 IonicContact OD1-ND1 2.88Å; D559-H562 PolarHBondContact OD1-ND1 2.84Å; D559-H562 IonicContact OD2-CG 2.7Å; D559-H562 IonicContact OD2-ND1 3.09Å; D559-K563 HydrophobicContact CB-CD 4.29Å; D559-K563 HydrophobicContact CB-CG 4.49Å; D559-K563 WeakPolarHBondContact O-CB 3.16Å; D559-K563 WeakPolarHBondContact O-CG 3.44Å; D559-K563 PolarHBondContact O-N 2.88Å; D559-K563 VanDerWaalsContact O-N 3.1Å
560	V	95.5	Very high	96.1	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-30.1	-171.6	74.5	0	0	0	0	113.2	F192 W203 F549 R555 V558 H562 T564	F192-V560 HydrophobicContact CE2-CG2 4.41Å; F192-V560 HydrophobicContact CZ-CB 4.28Å; F192-V560 HydrophobicContact CZ-CG2 3.9Å; W203-V560 HydrophobicContact CH2-CG1 4.22Å; W203-V560 HydrophobicContact CH2-CG2 4.42Å; W203-V560 HydrophobicContact CZ2-CG2 4.38Å; F549-V560 HydrophobicContact CE2-CB 4.37Å; F549-V560 HydrophobicContact CE2-CG2 4.06Å; R555-V560 HydrophobicContact CB-CG1 3.49Å; R555-V560 VanDerWaalsContact CB-CG1 3.49Å; R555-V560 HydrophobicContact CG-CG1 3.76Å; R555-V560 WeakPolarHBondContact O-CG1 3.36Å; R555-V560 PolarHBondContact O-N 2.73Å; V558-V560 HydrophobicContact CG2-CB 4.01Å; V560-H562 VanDerWaalsContact C-N 3.35Å; V560-H562 PolarHBondContact O-N 2.71Å; V560-T564 HydrophobicContact CG2-CG2 3.77Å; V560-T564 WeakPolarHBondContact CG2-OG1 3.41Å; V560-T564 PolarHBondContact O-N 3.04Å; V560-T564 VanDerWaalsContact O-N 3.09Å; V560-T564 PolarHBondContact O-OG1 2.78Å
561	H	95.3	Very high	95.9	Very high	82 Å²	82	42.7 Å²	42.7	38%	0.38	19%	0.194	S	C	.	.	H	α-helix	trans	-67.6	-32.7	-179.1	-70.6	-160.6	0	0	0	112.6	W203 D559	W203-H561 HydrophobicContact CB-CB 4.41Å; W203-H561 HydrophobicContact CD2-CB 4.13Å; W203-H561 AromaticContact CD2-CD2 3.75Å; W203-H561 AromaticContact CD2-CG 3.87Å; W203-H561 AromaticContact CE3-CD2 3.3Å; W203-H561 AromaticContact CE3-CE1 3.94Å; W203-H561 AromaticContact CE3-CG 3.77Å; W203-H561 AromaticContact CE3-NE2 3.48Å; W203-H561 HydrophobicContact CG-CB 4.09Å; W203-H561 AromaticContact CH2-CD2 3.99Å; W203-H561 AromaticContact CZ3-CD2 3.44Å; W203-H561 VanDerWaalsContact CZ3-CD2 3.44Å; W203-H561 WeakPolarHBondContact CZ3-CD2 3.18Å; W203-H561 AromaticContact CZ3-NE2 3.55Å; W203-H561 PolarHBondContact NE1-O 3.36Å; D559-H561 VanDerWaalsContact C-N 3.28Å; D559-H561 PolarHBondContact O-N 3.11Å
562	H	94.5	Very high	95.8	Very high	162 Å²	162	44.7 Å²	44.7	75%	0.75	21%	0.205	S	C	*	.	H	α-helix	trans	-93.5	-25	178.4	-59.1	99.3	0	0	0	112.6	D559 V560	D559-H562 PolarHBondContact O-N 3.35Å; D559-H562 IonicContact OD1-CE1 2.71Å; D559-H562 IonicContact OD1-CG 3.31Å; D559-H562 IonicContact OD1-ND1 2.88Å; D559-H562 PolarHBondContact OD1-ND1 2.84Å; D559-H562 IonicContact OD2-CG 2.7Å; D559-H562 IonicContact OD2-ND1 3.09Å; V560-H562 VanDerWaalsContact C-N 3.35Å; V560-H562 PolarHBondContact O-N 2.71Å
563	K	94.4	Very high	95.6	Very high	105 Å²	105	45.7 Å²	45.7	46%	0.457	21%	0.214	S	C	.	.	H	α-helix	trans	-97.6	-5.9	-174.5	-65.2	-177	-174.5	165	0	115.4	F192 V558 D559	F192-K563 HydrophobicContact CD1-CB 3.77Å; F192-K563 HydrophobicContact CD1-CD 4.39Å; F192-K563 HydrophobicContact CE1-CB 3.88Å; F192-K563 HydrophobicContact CE1-CD 4.32Å; V558-K563 WeakPolarHBondContact O-CD 3.23Å; V558-K563 PolarHBondContact O-NZ 3Å; D559-K563 HydrophobicContact CB-CD 4.29Å; D559-K563 HydrophobicContact CB-CG 4.49Å; D559-K563 WeakPolarHBondContact O-CB 3.16Å; D559-K563 WeakPolarHBondContact O-CG 3.44Å; D559-K563 PolarHBondContact O-N 2.88Å; D559-K563 VanDerWaalsContact O-N 3.1Å
564	T	95.5	Very high	95.1	Very high	10 Å²	10	46.2 Å²	46.2	6%	0.061	22%	0.216	C	C	.	.	S	Bend	trans	-141.1	161.5	-178.8	73.2	0	0	0	0	110.8	A191 F192 W203 G545 V560	A191-T564 HydrophobicContact CB-CG2 4.07Å; A191-T564 WeakPolarHBondContact O-CA 3.38Å; A191-T564 VanDerWaalsContact O-CB 3.29Å; A191-T564 WeakPolarHBondContact O-CB 3.34Å; A191-T564 WeakPolarHBondContact O-CG2 3.44Å; F192-T564 HydrophobicContact CB-CG2 4.41Å; F192-T564 HydrophobicContact CD1-CG2 3.62Å; F192-T564 HydrophobicContact CD2-CG2 3.67Å; F192-T564 HydrophobicContact CE1-CG2 3.67Å; F192-T564 HydrophobicContact CE2-CG2 3.72Å; F192-T564 HydrophobicContact CG-CG2 3.62Å; F192-T564 HydrophobicContact CZ-CG2 3.72Å; W203-T564 WeakPolarHBondContact CZ2-OG1 3.32Å; W203-T564 PolarHBondContact NE1-O 3.37Å; G545-T564 WeakPolarHBondContact CA-OG1 3.14Å; V560-T564 HydrophobicContact CG2-CG2 3.77Å; V560-T564 WeakPolarHBondContact CG2-OG1 3.41Å; V560-T564 PolarHBondContact O-N 3.04Å; V560-T564 VanDerWaalsContact O-N 3.09Å; V560-T564 PolarHBondContact O-OG1 2.78Å
565	N	96.2	Very high	94.8	Very high	33 Å²	33	45.2 Å²	45.2	18%	0.176	21%	0.214	C	C	.	.			trans	-83	146.2	167.7	-74.1	-55.8	0	0	0	111.4	E196 F198 F544 G545	E196-N565 PolarHBondContact O-ND2 3.28Å; F198-N565 HydrophobicContact CD2-CB 4.23Å; F198-N565 HydrophobicContact CE2-CB 3.84Å; F544-N565 WeakPolarHBondContact CA-O 3.39Å; F544-N565 WeakPolarHBondContact CB-O 3.42Å; F544-N565 HydrophobicContact CD1-CB 3.98Å; F544-N565 HydrophobicContact CE1-CB 4.37Å; G545-N565 PolarHBondContact N-O 2.95Å
566	S	97.5	Very high	94.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.245	C	C	.	.			trans	-83	144.8	167.9	171.6	0	0	0	0	111	T546 W568 S569	T546-S566 WeakPolarHBondContact OG1-CA 3.41Å; T546-S566 PolarHBondContact OG1-OG 3.4Å; S566-W568 PolarHBondContact O-N 3.48Å; S566-W568 PolarHBondContact OG-N 2.69Å; S566-S569 WeakPolarHBondContact O-CB 3.26Å; S566-S569 PolarHBondContact O-N 3.21Å; S566-S569 PolarHBondContact O-OG 2.92Å
567	V	96.6	Very high	93.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.2	-31.4	173.4	71	0	0	0	0	111.8	H538 F544 T546 F547 S569 F570 L571	H538-V567 HydrophobicContact CB-CG2 3.63Å; F544-V567 HydrophobicContact CB-CB 4.04Å; F544-V567 HydrophobicContact CD2-CB 3.74Å; F544-V567 HydrophobicContact CD2-CG2 3.7Å; F544-V567 HydrophobicContact CE2-CB 4.39Å; F544-V567 HydrophobicContact CE2-CG2 4Å; F544-V567 HydrophobicContact CG-CB 3.93Å; F544-V567 HydrophobicContact CG-CG2 4.39Å; T546-V567 HydrophobicContact CG2-CG1 3.77Å; T546-V567 WeakPolarHBondContact OG1-CG1 3.42Å; T546-V567 PolarHBondContact OG1-N 2.87Å; F547-V567 HydrophobicContact CE2-CG1 4.01Å; F547-V567 HydrophobicContact CZ-CG1 4.43Å; V567-S569 PolarHBondContact O-N 3Å; V567-F570 WeakPolarHBondContact O-CB 3.3Å; V567-F570 PolarHBondContact O-N 2.93Å; V567-F570 VanDerWaalsContact O-N 3.12Å; V567-L571 HydrophobicContact CG2-CD1 4.01Å; V567-L571 HydrophobicContact CG2-CG 4.2Å; V567-L571 WeakPolarHBondContact O-CG 3.49Å; V567-L571 PolarHBondContact O-N 3.37Å
568	W	98.2	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-29.2	178.4	-40.8	128.2	0	0	0	111.8	V205 E473 I476 E477 I535 T546 F547 S566 F570 L571 N572	V205-W568 VanDerWaalsContact CG1-CD1 3.47Å; V205-W568 HydrophobicContact CG1-CG 4.13Å; E473-W568 HydrophobicContact CB-CD2 3.98Å; E473-W568 HydrophobicContact CB-CE3 4.07Å; E473-W568 HydrophobicContact CB-CG 4.36Å; E473-W568 HydrophobicContact CB-CZ3 4.43Å; E473-W568 HydrophobicContact CG-CD2 3.82Å; E473-W568 HydrophobicContact CG-CE3 3.45Å; E473-W568 VanDerWaalsContact CG-CE3 3.45Å; E473-W568 HydrophobicContact CG-CG 4.34Å; E473-W568 HydrophobicContact CG-CZ3 3.86Å; I476-W568 HydrophobicContact CB-CH2 4.22Å; I476-W568 HydrophobicContact CB-CZ2 4.12Å; I476-W568 HydrophobicContact CD1-CH2 3.84Å; I476-W568 HydrophobicContact CG2-CH2 4.06Å; I476-W568 HydrophobicContact CG2-CZ2 3.82Å; E477-W568 PolarHBondContact OE1-NE1 3.25Å; I535-W568 HydrophobicContact CD1-CH2 4.4Å; I535-W568 HydrophobicContact CD1-CZ3 4.04Å; I535-W568 HydrophobicContact CG1-CH2 4.47Å; I535-W568 HydrophobicContact CG1-CZ3 4.02Å; T546-W568 HydrophobicContact CG2-CZ2 3.86Å; F547-W568 AromaticContact CZ-CH2 3.96Å; F547-W568 HydrophobicContact CZ-CH2 3.96Å; F547-W568 HydrophobicContact CZ-CZ2 4.15Å; S566-W568 PolarHBondContact O-N 3.48Å; S566-W568 PolarHBondContact OG-N 2.69Å; W568-F570 VanDerWaalsContact C-N 3.29Å; W568-F570 PolarHBondContact O-N 3.14Å; W568-L571 HydrophobicContact CE3-CD1 4Å; W568-L571 HydrophobicContact CZ3-CD1 4.03Å; W568-N572 WeakPolarHBondContact O-CB 3.32Å; W568-N572 VanDerWaalsContact O-CG 3.3Å; W568-N572 PolarHBondContact O-N 3.46Å; W568-N572 PolarHBondContact O-ND2 3.34Å
569	S	96.9	Very high	93.7	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-42.1	174.4	-33	0	0	0	0	110.7	S200 G202 S566 V567 S573	S200-S569 VanDerWaalsContact O-CB 3.29Å; S200-S569 WeakPolarHBondContact O-CB 3.34Å; G202-S569 WeakPolarHBondContact CA-OG 3.36Å; G202-S569 PolarHBondContact N-OG 3.35Å; S566-S569 WeakPolarHBondContact O-CB 3.26Å; S566-S569 PolarHBondContact O-N 3.21Å; S566-S569 PolarHBondContact O-OG 2.92Å; V567-S569 PolarHBondContact O-N 3Å; S569-S573 PolarHBondContact O-N 3.1Å
570	F	94.3	Very high	93.6	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-71.4	-51.4	177.4	169.1	-109.8	0	0	0	111.5	F198 H538 F544 V567 W568 N572 S573	F198-F570 HydrophobicContact CD1-CB 4.34Å; F198-F570 HydrophobicContact CE1-CB 3.76Å; F198-F570 AromaticContact CE1-CD2 3.85Å; F198-F570 HydrophobicContact CE1-CD2 3.85Å; F198-F570 HydrophobicContact CE1-CG 4.3Å; F198-F570 HydrophobicContact CZ-CB 3.9Å; F198-F570 HydrophobicContact CZ-CD2 4.37Å; H538-F570 AromaticContact NE2-CD1 3.8Å; H538-F570 AromaticContact NE2-CE1 3.43Å; H538-F570 WeakPolarHBondContact NE2-CE1 3.31Å; F544-F570 HydrophobicContact CE1-CB 3.83Å; F544-F570 HydrophobicContact CE2-CB 4.16Å; F544-F570 HydrophobicContact CE2-CD1 4.11Å; F544-F570 HydrophobicContact CE2-CG 4.27Å; F544-F570 HydrophobicContact CZ-CB 3.39Å; F544-F570 AromaticContact CZ-CD1 3.99Å; F544-F570 HydrophobicContact CZ-CD1 3.99Å; F544-F570 HydrophobicContact CZ-CD2 4.4Å; F544-F570 AromaticContact CZ-CG 3.68Å; F544-F570 HydrophobicContact CZ-CG 3.68Å; V567-F570 WeakPolarHBondContact O-CB 3.3Å; V567-F570 PolarHBondContact O-N 2.93Å; V567-F570 VanDerWaalsContact O-N 3.12Å; W568-F570 VanDerWaalsContact C-N 3.29Å; W568-F570 PolarHBondContact O-N 3.14Å; F570-N572 PolarHBondContact O-N 2.42Å; F570-S573 WeakPolarHBondContact O-CB 3.43Å; F570-S573 PolarHBondContact O-N 2.97Å; F570-S573 VanDerWaalsContact O-N 3.14Å; F570-S573 PolarHBondContact O-OG 2.99Å
571	L	94.6	Very high	93.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-64.1	-43	-176.4	-63.3	176.5	0	0	0	111.9	F531 I535 V567 W568 S573 Q574 T575 F578	F531-L571 HydrophobicContact CD2-CD1 4.25Å; F531-L571 HydrophobicContact CE2-CB 4.17Å; F531-L571 HydrophobicContact CE2-CD1 3.78Å; F531-L571 HydrophobicContact CE2-CG 4.5Å; I535-L571 HydrophobicContact CG1-CD1 3.86Å; V567-L571 HydrophobicContact CG2-CD1 4.01Å; V567-L571 HydrophobicContact CG2-CG 4.2Å; V567-L571 WeakPolarHBondContact O-CG 3.49Å; V567-L571 PolarHBondContact O-N 3.37Å; W568-L571 HydrophobicContact CE3-CD1 4Å; W568-L571 HydrophobicContact CZ3-CD1 4.03Å; L571-S573 PolarHBondContact O-N 3.16Å; L571-Q574 CarbonylContact O-C 3.55Å; L571-Q574 PolarHBondContact O-N 3.41Å; L571-T575 PolarHBondContact O-N 3.21Å; L571-F578 HydrophobicContact CB-CD2 4.41Å; L571-F578 HydrophobicContact CB-CE2 4.11Å; L571-F578 HydrophobicContact CD2-CD2 4.44Å; L571-F578 HydrophobicContact CD2-CE1 4.27Å; L571-F578 HydrophobicContact CD2-CE2 3.63Å; L571-F578 HydrophobicContact CD2-CZ 3.53Å; L571-F578 HydrophobicContact CG-CE2 4.48Å; L571-F578 WeakPolarHBondContact O-CD2 3.5Å; L571-F578 WeakPolarHBondContact O-CE2 3.33Å
572	N	96	Very high	92.8	Very high	46 Å²	46	38.6 Å²	38.6	25%	0.246	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-70.7	-14.3	177.6	-70.4	-46.8	0	0	0	113.9	E473 W568 F570 Q574 T575	E473-N572 PolarHBondContact OE1-ND2 2.75Å; E473-N572 PolarHBondContact OE1-OD1 3.02Å; E473-N572 PolarHBondContact OE2-ND2 3.35Å; W568-N572 WeakPolarHBondContact O-CB 3.32Å; W568-N572 VanDerWaalsContact O-CG 3.3Å; W568-N572 PolarHBondContact O-N 3.46Å; W568-N572 PolarHBondContact O-ND2 3.34Å; F570-N572 PolarHBondContact O-N 2.42Å; N572-Q574 PolarHBondContact O-N 3.16Å; N572-T575 WeakPolarHBondContact CA-OG1 3.47Å; N572-T575 PolarHBondContact O-OG1 2.91Å
573	S	92.5	Very high	92.6	Very high	45 Å²	45	33.2 Å²	33.2	32%	0.315	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-76	-11.5	170.1	76.6	0	0	0	0	112.8	S569 F570 L571	S569-S573 PolarHBondContact O-N 3.1Å; F570-S573 WeakPolarHBondContact O-CB 3.43Å; F570-S573 PolarHBondContact O-N 2.97Å; F570-S573 VanDerWaalsContact O-N 3.14Å; F570-S573 PolarHBondContact O-OG 2.99Å; L571-S573 PolarHBondContact O-N 3.16Å
574	Q	88.6	Confident	92.3	Very high	20 Å²	20	31.3 Å²	31.3	9%	0.093	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-132.5	26.8	-175.2	-60.5	-178.3	-15.1	0	0	112.3	A27 L571 N572 E576 Q577 F578	A27-Q574 PolarHBondContact O-NE2 2.8Å; L571-Q574 CarbonylContact O-C 3.55Å; L571-Q574 PolarHBondContact O-N 3.41Å; N572-Q574 PolarHBondContact O-N 3.16Å; Q574-E576 PolarHBondContact O-N 2.99Å; Q574-Q577 WeakPolarHBondContact O-CB 3.47Å; Q574-Q577 PolarHBondContact O-N 3.39Å; Q574-F578 HydrophobicContact CB-CE2 3.91Å; Q574-F578 WeakPolarHBondContact O-CD2 3.31Å
575	T	90.2	Very high	91.5	Very high	46 Å²	46	38 Å²	38	28%	0.282	20%	0.198	S	C	.	.	H	α-helix	trans	-48.4	-38.3	-172.1	-49.7	0	0	0	0	113.7	I469 L571 N572 Q577 F578 T579	I469-T575 HydrophobicContact CD1-CG2 3.59Å; L571-T575 PolarHBondContact O-N 3.21Å; N572-T575 WeakPolarHBondContact CA-OG1 3.47Å; N572-T575 PolarHBondContact O-OG1 2.91Å; T575-Q577 PolarHBondContact O-N 2.96Å; T575-Q577 VanDerWaalsContact O-N 3.12Å; T575-F578 CarbonylContact O-C 3.47Å; T575-F578 WeakPolarHBondContact O-CA 3.44Å; T575-F578 PolarHBondContact O-N 2.76Å; T575-T579 PolarHBondContact O-N 3.21Å; T575-T579 PolarHBondContact O-OG1 3.46Å
576	E	87.2	Confident	90.4	Very high	145 Å²	145	43.3 Å²	43.3	68%	0.678	23%	0.232	S	C	*	.	H	α-helix	trans	-55.1	-32.9	179.2	-166.9	-166.1	162.5	0	0	113.5	Q574 F578 R629	Q574-E576 PolarHBondContact O-N 2.99Å; E576-F578 VanDerWaalsContact C-N 3.29Å; E576-R629 PolarHBondContact O-NH1 3.44Å
577	Q	85.6	Confident	89.1	Confident	60 Å²	60	45.9 Å²	45.9	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-74.9	-23.5	177.5	-64.6	179.7	59.6	0	0	112.5	A27 N528 Q574 T575	A27-Q577 VanDerWaalsContact CB-OE1 3.27Å; N528-Q577 PolarHBondContact ND2-O 3.2Å; Q574-Q577 WeakPolarHBondContact O-CB 3.47Å; Q574-Q577 PolarHBondContact O-N 3.39Å; T575-Q577 PolarHBondContact O-N 2.96Å; T575-Q577 VanDerWaalsContact O-N 3.12Å
578	F	91.7	Very high	87.8	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-99.9	-17	-175.5	-58.8	-51.6	0	0	0	112.9	F527 N528 L530 F531 S534 L571 Q574 T575 E576 N580	F527-F578 CarbonylContact C-O 3.51Å; F527-F578 VanDerWaalsContact CA-O 3.28Å; F527-F578 WeakPolarHBondContact CA-O 3.44Å; N528-F578 PolarHBondContact N-O 2.69Å; N528-F578 PolarHBondContact ND2-O 3.02Å; N528-F578 PolarHBondContact OD1-O 3.07Å; L530-F578 HydrophobicContact CD2-CE1 4.33Å; L530-F578 HydrophobicContact CG-CD1 4.32Å; L530-F578 HydrophobicContact CG-CE1 4.1Å; F531-F578 HydrophobicContact CB-CB 3.96Å; F531-F578 HydrophobicContact CB-CD1 3.89Å; F531-F578 HydrophobicContact CB-CG 4.18Å; F531-F578 HydrophobicContact CD2-CB 3.78Å; F531-F578 HydrophobicContact CD2-CD1 4.1Å; F531-F578 HydrophobicContact CD2-CD2 4.24Å; F531-F578 AromaticContact CD2-CG 3.77Å; F531-F578 HydrophobicContact CD2-CG 3.77Å; F531-F578 HydrophobicContact CG-CB 4.23Å; F531-F578 HydrophobicContact CG-CG 4.45Å; S534-F578 WeakPolarHBondContact OG-CE1 3.44Å; L571-F578 HydrophobicContact CB-CD2 4.41Å; L571-F578 HydrophobicContact CB-CE2 4.11Å; L571-F578 HydrophobicContact CD2-CD2 4.44Å; L571-F578 HydrophobicContact CD2-CE1 4.27Å; L571-F578 HydrophobicContact CD2-CE2 3.63Å; L571-F578 HydrophobicContact CD2-CZ 3.53Å; L571-F578 HydrophobicContact CG-CE2 4.48Å; L571-F578 WeakPolarHBondContact O-CD2 3.5Å; L571-F578 WeakPolarHBondContact O-CE2 3.33Å; Q574-F578 HydrophobicContact CB-CE2 3.91Å; Q574-F578 WeakPolarHBondContact O-CD2 3.31Å; T575-F578 CarbonylContact O-C 3.47Å; T575-F578 WeakPolarHBondContact O-CA 3.44Å; T575-F578 PolarHBondContact O-N 2.76Å; E576-F578 VanDerWaalsContact C-N 3.29Å; F578-N580 PolarHBondContact O-N 3.01Å
579	T	92.1	Very high	86.9	Confident	46 Å²	46	51.9 Å²	51.9	28%	0.282	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-67.1	130.7	176	-54.3	0	0	0	0	111.3	E526 N528 T575 P581	E526-T579 CarbonylContact O-C 3.53Å; E526-T579 WeakPolarHBondContact O-CA 2.94Å; N528-T579 PolarHBondContact ND2-O 3.11Å; T575-T579 PolarHBondContact O-N 3.21Å; T575-T579 PolarHBondContact O-OG1 3.46Å; T579-P581 WeakPolarHBondContact O-CD 3.36Å
580	N	91.4	Very high	86.5	Confident	18 Å²	18	55.4 Å²	55.4	10%	0.096	32%	0.322	C	S	.	.			trans	-81.3	112.7	169.5	173.1	12.3	0	0	0	109.1	P522 F525 E526 N528 F578 T582 F583	P522-N580 PolarHBondContact O-ND2 3.5Å; F525-N580 WeakPolarHBondContact O-CB 3.47Å; F525-N580 PolarHBondContact O-ND2 3.26Å; E526-N580 WeakPolarHBondContact O-CB 3.42Å; E526-N580 PolarHBondContact O-N 2.94Å; N528-N580 HydrophobicContact CB-CB 4.29Å; F578-N580 PolarHBondContact O-N 3.01Å; N580-T582 PolarHBondContact ND2-OG1 2.85Å; N580-T582 PolarHBondContact O-N 3.23Å; N580-T582 VanDerWaalsContact O-N 3.11Å; N580-T582 PolarHBondContact OD1-N 3Å; N580-T582 PolarHBondContact OD1-OG1 2.9Å; N580-F583 WeakPolarHBondContact O-CB 3.42Å; N580-F583 PolarHBondContact O-N 3.12Å; N580-F583 VanDerWaalsContact O-N 3.14Å
581	P	87.5	Confident	86.5	Confident	25 Å²	25	56.3 Å²	56.3	16%	0.162	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.7	-177.9	25.9	-35.4	0	0	0	113.3	T579 F583 Y628 R629 V632	T579-P581 WeakPolarHBondContact O-CD 3.36Å; P581-F583 VanDerWaalsContact C-N 3.34Å; P581-Y628 HydrophobicContact CG-CG 4.38Å; P581-R629 HydrophobicContact CB-CG 3.98Å; P581-R629 HydrophobicContact CG-CG 4.25Å; P581-V632 HydrophobicContact CB-CB 4.4Å; P581-V632 HydrophobicContact CB-CG2 3.97Å; P581-V632 VanDerWaalsContact O-CG2 3.31Å; P581-V632 WeakPolarHBondContact O-CG2 3.47Å
582	T	86.9	Confident	86.5	Confident	41 Å²	41	56.3 Å²	56.3	25%	0.252	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-0.6	-179.2	67.8	0	0	0	0	114.3	P522 Q523 N580 N584 Y628	P522-T582 PolarHBondContact O-OG1 2.94Å; Q523-T582 WeakPolarHBondContact CA-O 3.47Å; Q523-T582 WeakPolarHBondContact CB-O 3.26Å; Q523-T582 WeakPolarHBondContact CG-O 3.45Å; N580-T582 PolarHBondContact ND2-OG1 2.85Å; N580-T582 PolarHBondContact O-N 3.23Å; N580-T582 VanDerWaalsContact O-N 3.11Å; N580-T582 PolarHBondContact OD1-N 3Å; N580-T582 PolarHBondContact OD1-OG1 2.9Å; T582-N584 PolarHBondContact O-N 3.25Å; T582-Y628 HydrophobicContact CG2-CD1 4.3Å
583	F	91.1	Very high	86.5	Confident	50 Å²	50	58.3 Å²	58.3	22%	0.219	34%	0.338	C	S	.	.			trans	-59.5	128.6	-179	178.7	-124.7	0	0	0	111.8	T468 F525 E526 N580 P581 Q585	T468-F583 HydrophobicContact CG2-CZ 4.46Å; F525-F583 WeakPolarHBondContact O-CD2 3Å; E526-F583 VanDerWaalsContact CA-CG 3.5Å; E526-F583 HydrophobicContact CB-CD1 3.74Å; E526-F583 HydrophobicContact CB-CD2 4.22Å; E526-F583 HydrophobicContact CB-CE1 3.74Å; E526-F583 HydrophobicContact CB-CE2 4.22Å; E526-F583 HydrophobicContact CB-CG 3.98Å; E526-F583 HydrophobicContact CB-CZ 3.99Å; E526-F583 HydrophobicContact CG-CD1 3.81Å; E526-F583 HydrophobicContact CG-CE1 3.97Å; E526-F583 HydrophobicContact CG-CG 4.4Å; E526-F583 VanDerWaalsContact N-CD2 3.32Å; N580-F583 WeakPolarHBondContact O-CB 3.42Å; N580-F583 PolarHBondContact O-N 3.12Å; N580-F583 VanDerWaalsContact O-N 3.14Å; P581-F583 VanDerWaalsContact C-N 3.34Å; F583-Q585 HydrophobicContact CE1-CB 3.79Å; F583-Q585 HydrophobicContact CE1-CG 4.28Å; F583-Q585 HydrophobicContact CZ-CB 3.93Å; F583-Q585 HydrophobicContact CZ-CG 4.19Å
584	N	87.2	Confident	86.6	Confident	64 Å²	64	56.6 Å²	56.6	34%	0.342	33%	0.325	S	S	.	.			trans	-121.6	95.6	177.8	-178.2	4.7	0	0	0	109.8	Q523 T582 V586 G587 G588	Q523-N584 HydrophobicContact CB-CB 4.41Å; Q523-N584 PolarHBondContact O-N 3Å; T582-N584 PolarHBondContact O-N 3.25Å; N584-V586 PolarHBondContact OD1-N 2.81Å; N584-G587 WeakPolarHBondContact ND2-CA 3.49Å; N584-G587 PolarHBondContact OD1-N 2.99Å; N584-G588 WeakPolarHBondContact O-CA 3.15Å; N584-G588 PolarHBondContact O-N 2.85Å
585	Q	78.6	Confident	86.9	Confident	150 Å²	150	58.3 Å²	58.3	70%	0.701	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-38.8	-177.5	-169.4	175.2	4.5	0	0	113.1	F583	F583-Q585 HydrophobicContact CE1-CB 3.79Å; F583-Q585 HydrophobicContact CE1-CG 4.28Å; F583-Q585 HydrophobicContact CZ-CB 3.93Å; F583-Q585 HydrophobicContact CZ-CG 4.19Å
586	V	74.7	Confident	87	Confident	145 Å²	145	58.1 Å²	58.1	88%	0.879	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-35	-172	-178	0	0	0	0	112	N584	N584-V586 PolarHBondContact OD1-N 2.81Å
587	G	68.7	Low	87.1	Confident	55 Å²	55	52.9 Å²	52.9	57%	0.567	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	8.6	179.5	0	0	0	0	0	114.6	N584	N584-G587 WeakPolarHBondContact ND2-CA 3.49Å; N584-G587 PolarHBondContact OD1-N 2.99Å
588	G	70.5	Confident	87	Confident	31 Å²	31	54.4 Å²	54.4	32%	0.32	33%	0.332	S	S	.	.	S	Bend	trans	-65	147.5	177.4	0	0	0	0	0	111.7	N584 S590	N584-G588 WeakPolarHBondContact O-CA 3.15Å; N584-G588 PolarHBondContact O-N 2.85Å; G588-S590 PolarHBondContact O-N 2.88Å
589	L	78.7	Confident	86.8	Confident	95 Å²	95	65 Å²	65	50%	0.497	37%	0.371	S	S	.	.			trans	-60.3	135.2	173.5	-67	172.3	0	0	0	109.8	R467 F521 L592	R467-L589 PolarHBondContact NH1-O 2.77Å; F521-L589 HydrophobicContact CD1-CD1 4.13Å; F521-L589 HydrophobicContact CE1-CD1 4.27Å; L589-L592 HydrophobicContact CB-CD2 3.82Å; L589-L592 HydrophobicContact CD1-CD2 3.99Å
590	S	87.5	Confident	86.7	Confident	74 Å²	74	70.7 Å²	70.7	52%	0.517	39%	0.388	S	S	.	.	S	Bend	trans	-65.4	-41.4	176	55.6	0	0	0	0	111.4	P464 R467 G588	P464-S590 WeakPolarHBondContact CG-O 3.41Å; R467-S590 PolarHBondContact NH2-O 3.43Å; G588-S590 PolarHBondContact O-N 2.88Å
591	V	94.5	Very high	86.7	Confident	22 Å²	22	70.7 Å²	70.7	13%	0.133	39%	0.387	C	S	.	.	S	Bend	trans	-126.5	139.3	178.9	179.2	0	0	0	0	110.7	V430 Y434 M461 L462 I593	V430-V591 HydrophobicContact CG1-CG1 3.79Å; Y434-V591 HydrophobicContact CD1-CG1 4.36Å; Y434-V591 HydrophobicContact CD2-CB 4.32Å; Y434-V591 HydrophobicContact CD2-CG1 4.41Å; Y434-V591 HydrophobicContact CD2-CG2 3.59Å; Y434-V591 HydrophobicContact CE2-CB 4.2Å; Y434-V591 HydrophobicContact CE2-CG2 3.51Å; Y434-V591 HydrophobicContact CG-CG1 4.2Å; Y434-V591 HydrophobicContact CG-CG2 4.22Å; M461-V591 CarbonylContact O-C 3.52Å; M461-V591 VanDerWaalsContact O-CA 3.26Å; M461-V591 WeakPolarHBondContact O-CA 3.32Å; L462-V591 HydrophobicContact CD2-CG1 4.42Å; V591-I593 HydrophobicContact CG1-CD1 4.12Å
592	L	95.9	Very high	86.9	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	41%	0.406	C	S	.	.			trans	-105.9	125.8	177.5	-53.7	-178.6	0	0	0	110.5	M461 F521 F525 L589	M461-L592 HydrophobicContact CB-CB 4.45Å; M461-L592 WeakPolarHBondContact CB-O 3.33Å; M461-L592 HydrophobicContact CG-CB 4.39Å; M461-L592 WeakPolarHBondContact CG-O 3.38Å; M461-L592 PolarHBondContact O-N 3.09Å; F521-L592 HydrophobicContact CB-CD1 4.3Å; F521-L592 HydrophobicContact CB-CD2 4.22Å; F521-L592 HydrophobicContact CD1-CD2 3.95Å; F521-L592 HydrophobicContact CD2-CB 4.21Å; F521-L592 HydrophobicContact CD2-CD1 4.06Å; F521-L592 HydrophobicContact CD2-CD2 4.29Å; F521-L592 HydrophobicContact CD2-CG 4.42Å; F521-L592 HydrophobicContact CE1-CD2 4.4Å; F521-L592 HydrophobicContact CE2-CB 4.08Å; F521-L592 HydrophobicContact CG-CD1 4.24Å; F521-L592 HydrophobicContact CG-CD2 3.89Å; F521-L592 HydrophobicContact CG-CG 4.48Å; F521-L592 HydrophobicContact CZ-CB 4.39Å; F525-L592 HydrophobicContact CE2-CD1 3.8Å; F525-L592 HydrophobicContact CZ-CD1 3.73Å; L589-L592 HydrophobicContact CB-CD2 3.82Å; L589-L592 HydrophobicContact CD1-CD2 3.99Å
593	I	94.8	Very high	87	Confident	89 Å²	89	75.9 Å²	75.9	46%	0.456	40%	0.4	S	S	.	.			trans	-116.8	99	173.2	-55.9	-62.8	0	0	0	108.3	V430 F521 V591	V430-I593 HydrophobicContact CB-CD1 4.37Å; V430-I593 HydrophobicContact CG1-CD1 3.51Å; F521-I593 WeakPolarHBondContact CZ-O 3.45Å; V591-I593 HydrophobicContact CG1-CD1 4.12Å
594	P	95.4	Very high	86.9	Confident	9 Å²	9	73.5 Å²	73.5	6%	0.058	39%	0.39	C	S	.	.			trans	-72.9	150.7	-176.1	29.2	-34.7	0	0	0	112.5	L423 A427 M461 L517 F521 C596	L423-P594 HydrophobicContact CD1-CG 4.06Å; L423-P594 HydrophobicContact CD2-CB 3.88Å; L423-P594 HydrophobicContact CD2-CG 4.09Å; L423-P594 HydrophobicContact CG-CB 4.23Å; L423-P594 HydrophobicContact CG-CG 3.87Å; A427-P594 HydrophobicContact CB-CG 4.21Å; M461-P594 HydrophobicContact CE-CG 3.76Å; M461-P594 VanDerWaalsContact SD-CD 3.59Å; M461-P594 HydrophobicContact SD-CG 3.95Å; L517-P594 HydrophobicContact CD2-CB 3.84Å; L517-P594 HydrophobicContact CD2-CG 3.98Å; F521-P594 HydrophobicContact CE2-CB 4.17Å; P594-C596 PolarHBondContact O-N 3.45Å
595	C	94.2	Very high	86.7	Confident	56 Å²	56	73.1 Å²	73.1	38%	0.378	39%	0.387	S	S	.	.			trans	-77	113.1	163.1	-170.2	0	0	0	0	109.3	Q520 S597 R600	Q520-C595 PolarHBondContact NE2-O 3.25Å; C595-S597 VanDerWaalsContact C-N 3.29Å; C595-R600 HydrophobicContact CB-CB 4.07Å; C595-R600 HydrophobicContact CB-CG 3.96Å
596	C	91.8	Very high	86.9	Confident	41 Å²	41	67.6 Å²	67.6	28%	0.277	36%	0.361	S	S	.	.			trans	-90.7	10.5	-179.7	-58.6	0	0	0	0	113.3	C424 P594	C424-C596 WeakPolarHBondContact CA-SG 3.41Å; C424-C596 HydrophobicContact CB-CB 3.82Å; P594-C596 PolarHBondContact O-N 3.45Å
597	S	89.8	Confident	87.3	Confident	36 Å²	36	60.9 Å²	60.9	25%	0.252	32%	0.32	S	S	.	.			trans	-69.3	135	176.4	175.5	0	0	0	0	110.3	C595 R599 R600 I601	C595-S597 VanDerWaalsContact C-N 3.29Å; S597-R599 PolarHBondContact O-N 3.16Å; S597-R599 PolarHBondContact OG-N 2.91Å; S597-R599 PolarHBondContact OG-NE 2.89Å; S597-R600 PolarHBondContact O-N 2.88Å; S597-I601 WeakPolarHBondContact O-CG1 3.04Å; S597-I601 PolarHBondContact O-N 2.64Å; S597-I601 VanDerWaalsContact O-N 3.15Å
598	V	84.1	Confident	87.8	Confident	92 Å²	92	58.3 Å²	58.3	56%	0.558	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-22.3	172.6	-63.1	0	0	0	0	113.1	R600	V598-R600 VanDerWaalsContact C-N 3.27Å; V598-R600 PolarHBondContact O-N 3.11Å
599	R	88	Confident	88.1	Confident	225 Å²	225	58.6 Å²	58.6	85%	0.849	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.6	173.6	-65	179.9	-83.7	174.6	-5.6	114.2	S597	S597-R599 PolarHBondContact O-N 3.16Å; S597-R599 PolarHBondContact OG-N 2.91Å; S597-R599 PolarHBondContact OG-NE 2.89Å
600	R	90.3	Very high	87.7	Confident	166 Å²	166	54.6 Å²	54.6	63%	0.626	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-25.5	-177.6	-72	-65.7	-167.7	169.3	0.1	113	C595 S597 V598	C595-R600 HydrophobicContact CB-CB 4.07Å; C595-R600 HydrophobicContact CB-CG 3.96Å; S597-R600 PolarHBondContact O-N 2.88Å; V598-R600 VanDerWaalsContact C-N 3.27Å; V598-R600 PolarHBondContact O-N 3.11Å
601	I	91.4	Very high	86.7	Confident	18 Å²	18	52.7 Å²	52.7	9%	0.092	25%	0.245	C	C	.	.			trans	-67.4	134.7	172.8	-60.2	-63.4	0	0	0	108.9	L418 L421 L423 Q516 S597	L418-I601 HydrophobicContact CB-CG2 4.19Å; L418-I601 HydrophobicContact CD1-CG2 4.39Å; L418-I601 HydrophobicContact CD2-CG2 3.92Å; L418-I601 HydrophobicContact CG-CG2 4.39Å; L421-I601 HydrophobicContact CD1-CG2 3.75Å; L423-I601 HydrophobicContact CD2-CD1 3.8Å; Q516-I601 HydrophobicContact CB-CD1 4.36Å; Q516-I601 HydrophobicContact CG-CD1 4.17Å; Q516-I601 HydrophobicContact CG-CG2 4.45Å; S597-I601 WeakPolarHBondContact O-CG1 3.04Å; S597-I601 PolarHBondContact O-N 2.64Å; S597-I601 VanDerWaalsContact O-N 3.15Å
602	R	90.2	Very high	85.3	Confident	145 Å²	145	52 Å²	52	55%	0.547	24%	0.24	S	C	.	.			trans	-114.9	144.4	-178.3	-67.5	-168.8	174.9	-169.1	-0.2	111.2	Q516 H519 W604	Q516-R602 PolarHBondContact NE2-O 2.86Å; Q516-R602 PolarHBondContact OE1-O 3.09Å; H519-R602 VanDerWaalsContact CE1-CD 3.45Å; H519-R602 WeakPolarHBondContact CE1-CD 3.14Å; H519-R602 PolarHBondContact CE1-NE 3.2Å; H519-R602 PolarHBondContact NE2-NE 3.45Å; H519-R602 PolarHBondContact NE2-NH1 3.29Å; R602-W604 PolarHBondContact O-N 3.25Å
603	F	89.7	Confident	83.4	Confident	31 Å²	31	53.2 Å²	53.2	14%	0.136	25%	0.248	C	C	.	.			trans	-66.7	124.7	167.5	177.9	-113.6	0	0	0	110.1	L395 C399 F408 L412 I605 Y608 R609	L395-F603 HydrophobicContact CD1-CD2 4.12Å; L395-F603 HydrophobicContact CD1-CE2 3.51Å; L395-F603 HydrophobicContact CD1-CZ 4.43Å; L395-F603 HydrophobicContact CD2-CE2 4.29Å; L395-F603 HydrophobicContact CG-CE2 4.16Å; C399-F603 VanDerWaalsContact SG-CZ 3.54Å; F408-F603 HydrophobicContact CZ-CD1 4.09Å; F408-F603 HydrophobicContact CZ-CE1 4.03Å; L412-F603 HydrophobicContact CD1-CD2 3.89Å; L412-F603 HydrophobicContact CD1-CE2 4.3Å; L412-F603 HydrophobicContact CD2-CB 4.03Å; L412-F603 HydrophobicContact CD2-CD2 4.47Å; L412-F603 HydrophobicContact CD2-CG 4.33Å; F603-I605 HydrophobicContact CD1-CB 4.25Å; F603-I605 HydrophobicContact CE1-CB 4.42Å; F603-I605 PolarHBondContact O-N 2.92Å; F603-Y608 AromaticContact CD2-CD2 3.94Å; F603-Y608 HydrophobicContact CD2-CD2 3.94Å; F603-Y608 AromaticContact CE2-CD2 3.37Å; F603-Y608 HydrophobicContact CE2-CD2 3.37Å; F603-Y608 HydrophobicContact CE2-CE2 4.2Å; F603-Y608 AromaticContact CE2-CG 3.76Å; F603-Y608 HydrophobicContact CE2-CG 3.76Å; F603-Y608 AromaticContact CZ-CD2 3.82Å; F603-Y608 HydrophobicContact CZ-CD2 3.82Å; F603-Y608 AromaticContact CZ-CG 3.89Å; F603-Y608 HydrophobicContact CZ-CG 3.89Å; F603-R609 HydrophobicContact CE1-CG 3.99Å; F603-R609 HydrophobicContact CZ-CG 4.29Å
604	W	88.2	Confident	81.6	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.246	C	C	.	.			trans	-76.5	72.9	-177.3	-172	13.2	0	0	0	111.6	L508 I511 D512 H515 S529 L532 I533 R602 E606 Y607 Y608	L508-W604 HydrophobicContact CD1-CZ3 4.43Å; I511-W604 HydrophobicContact CB-CZ3 4.48Å; I511-W604 HydrophobicContact CG2-CH2 3.51Å; I511-W604 HydrophobicContact CG2-CZ3 3.75Å; D512-W604 HydrophobicContact CB-CE3 4.19Å; H515-W604 HydrophobicContact CB-CD2 3.91Å; H515-W604 HydrophobicContact CB-CE3 4.17Å; H515-W604 HydrophobicContact CB-CG 4.33Å; H515-W604 HydrophobicContact CB-CZ2 4.25Å; H515-W604 HydrophobicContact CB-CZ3 4.49Å; H515-W604 AromaticContact CD2-CD1 3.58Å; H515-W604 AromaticContact CD2-CG 3.5Å; H515-W604 AromaticContact CE1-CD1 3.2Å; H515-W604 AromaticContact CE1-CG 3.93Å; H515-W604 AromaticContact CE1-NE1 3.41Å; H515-W604 PolarHBondContact CE1-NE1 2.94Å; H515-W604 AromaticContact CG-CD1 3.63Å; H515-W604 AromaticContact CG-CD2 3.72Å; H515-W604 AromaticContact CG-CE2 3.71Å; H515-W604 AromaticContact CG-CG 3.66Å; H515-W604 AromaticContact CG-NE1 3.67Å; H515-W604 AromaticContact ND1-CD1 3.41Å; H515-W604 AromaticContact ND1-CE2 3.62Å; H515-W604 AromaticContact ND1-CG 3.93Å; H515-W604 AromaticContact ND1-NE1 3.2Å; H515-W604 PolarHBondContact ND1-NE1 3.4Å; H515-W604 AromaticContact NE2-CD1 3.33Å; H515-W604 VanDerWaalsContact NE2-CD1 3.33Å; H515-W604 AromaticContact NE2-CG 3.7Å; H515-W604 AromaticContact NE2-NE1 3.97Å; S529-W604 PolarHBondContact OG-NE1 3.26Å; L532-W604 HydrophobicContact CB-CH2 3.93Å; L532-W604 HydrophobicContact CB-CZ2 3.98Å; I533-W604 HydrophobicContact CD1-CZ2 4.44Å; I533-W604 HydrophobicContact CG1-CH2 4.35Å; I533-W604 HydrophobicContact CG1-CZ2 3.66Å; R602-W604 PolarHBondContact O-N 3.25Å; W604-E606 PolarHBondContact O-N 3.37Å; W604-Y607 VanDerWaalsContact CD2-CB 3.41Å; W604-Y607 HydrophobicContact CD2-CG 4.25Å; W604-Y607 HydrophobicContact CE3-CD1 4.27Å; W604-Y607 HydrophobicContact CE3-CG 4.03Å; W604-Y607 HydrophobicContact CH2-CD2 4.3Å; W604-Y607 HydrophobicContact CH2-CG 4.27Å; W604-Y607 HydrophobicContact CZ3-CD1 4.4Å; W604-Y607 HydrophobicContact CZ3-CD2 4.39Å; W604-Y607 HydrophobicContact CZ3-CG 4.02Å; W604-Y607 PolarHBondContact O-N 2.97Å; W604-Y608 HydrophobicContact CB-CD2 3.88Å; W604-Y608 HydrophobicContact CB-CE2 3.73Å; W604-Y608 WeakPolarHBondContact O-CD2 2.89Å; W604-Y608 PolarHBondContact O-N 2.7Å
605	I	84.5	Confident	80.1	Confident	56 Å²	56	52.3 Å²	52.3	29%	0.287	25%	0.25	S	S	.	.	H	α-helix	trans	-58	-34	-174.9	-166.2	171.8	0	0	0	112.3	F603 Y607 R609 R610 D615	F603-I605 HydrophobicContact CD1-CB 4.25Å; F603-I605 HydrophobicContact CE1-CB 4.42Å; F603-I605 PolarHBondContact O-N 2.92Å; I605-Y607 PolarHBondContact O-N 2.84Å; I605-R609 HydrophobicContact CG1-CB 4.03Å; I605-R609 CarbonylContact O-C 3.58Å; I605-R609 WeakPolarHBondContact O-CA 3.25Å; I605-R609 PolarHBondContact O-N 3.28Å; I605-R610 PolarHBondContact O-N 2.8Å; I605-D615 HydrophobicContact CD1-CB 4.4Å
606	E	81.4	Confident	78.7	Confident	34 Å²	34	51.2 Å²	51.2	16%	0.159	24%	0.241	C	C	.	.	H	α-helix	trans	-71.7	-9.7	179.5	-56.5	86.8	169.1	0	0	114.4	H515 I533 W604 R610 M621	H515-E606 IonicContact CE1-OE2 2.66Å; I533-E606 HydrophobicContact CD1-CB 4.23Å; I533-E606 VanDerWaalsContact CD1-O 3.29Å; I533-E606 WeakPolarHBondContact CD1-O 3.44Å; W604-E606 PolarHBondContact O-N 3.37Å; E606-R610 WeakPolarHBondContact O-CB 3.44Å; E606-M621 HydrophobicContact CB-CE 3.27Å; E606-M621 HydrophobicContact CG-CE 3.51Å
607	Y	83.1	Confident	77.6	Confident	3 Å²	3	49.7 Å²	49.7	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-107.1	-52	170.2	179.7	-100.6	0	0	0	111.1	V125 L508 I533 M536 W604 I605 R610	V125-Y607 HydrophobicContact CG1-CE2 4.34Å; V125-Y607 WeakPolarHBondContact CG1-OH 3.35Å; L508-Y607 HydrophobicContact CD1-CD1 3.96Å; L508-Y607 HydrophobicContact CD1-CE1 3.3Å; L508-Y607 HydrophobicContact CD2-CE1 3.92Å; L508-Y607 HydrophobicContact CG-CE1 4.26Å; I533-Y607 HydrophobicContact CG1-CD2 4.3Å; M536-Y607 HydrophobicContact CB-CD2 4.47Å; M536-Y607 HydrophobicContact CB-CE2 3.59Å; M536-Y607 HydrophobicContact CG-CE2 4.02Å; W604-Y607 VanDerWaalsContact CD2-CB 3.41Å; W604-Y607 HydrophobicContact CD2-CG 4.25Å; W604-Y607 HydrophobicContact CE3-CD1 4.27Å; W604-Y607 HydrophobicContact CE3-CG 4.03Å; W604-Y607 HydrophobicContact CH2-CD2 4.3Å; W604-Y607 HydrophobicContact CH2-CG 4.27Å; W604-Y607 HydrophobicContact CZ3-CD1 4.4Å; W604-Y607 HydrophobicContact CZ3-CD2 4.39Å; W604-Y607 HydrophobicContact CZ3-CG 4.02Å; W604-Y607 PolarHBondContact O-N 2.97Å; I605-Y607 PolarHBondContact O-N 2.84Å; Y607-R610 WeakPolarHBondContact O-CG 3.49Å
608	Y	80.6	Confident	76.5	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-77.8	-27.7	-171.6	-61.7	-63.4	0	0	0	114.1	F126 L395 W417 L508 D512 F603 W604	F126-Y608 HydrophobicContact CD2-CD1 4.5Å; F126-Y608 WeakPolarHBondContact CD2-O 3.41Å; F126-Y608 WeakPolarHBondContact CE1-O 3.19Å; F126-Y608 AromaticContact CE2-CD1 3.97Å; F126-Y608 HydrophobicContact CE2-CD1 3.97Å; F126-Y608 WeakPolarHBondContact CE2-O 3.37Å; F126-Y608 WeakPolarHBondContact CZ-O 3.38Å; L395-Y608 HydrophobicContact CD2-CD1 3.79Å; L395-Y608 HydrophobicContact CD2-CD2 4.34Å; L395-Y608 HydrophobicContact CD2-CE1 3.64Å; L395-Y608 HydrophobicContact CD2-CE2 4.22Å; L395-Y608 HydrophobicContact CD2-CG 4.17Å; W417-Y608 AromaticContact CE2-CZ 4Å; W417-Y608 VanDerWaalsContact CE2-OH 3.29Å; W417-Y608 WeakPolarHBondContact CZ2-OH 3.45Å; W417-Y608 AromaticContact NE1-CE2 3.98Å; W417-Y608 AromaticContact NE1-CZ 3.65Å; W417-Y608 PolarHBondContact NE1-OH 3.05Å; W417-Y608 VanDerWaalsContact NE1-OH 3.11Å; L508-Y608 HydrophobicContact CD2-CE1 4.26Å; D512-Y608 VanDerWaalsContact OD2-CE2 3.3Å; D512-Y608 WeakPolarHBondContact OD2-CE2 3.12Å; D512-Y608 PolarHBondContact OD2-OH 3.22Å; F603-Y608 AromaticContact CD2-CD2 3.94Å; F603-Y608 HydrophobicContact CD2-CD2 3.94Å; F603-Y608 AromaticContact CE2-CD2 3.37Å; F603-Y608 HydrophobicContact CE2-CD2 3.37Å; F603-Y608 HydrophobicContact CE2-CE2 4.2Å; F603-Y608 AromaticContact CE2-CG 3.76Å; F603-Y608 HydrophobicContact CE2-CG 3.76Å; F603-Y608 AromaticContact CZ-CD2 3.82Å; F603-Y608 HydrophobicContact CZ-CD2 3.82Å; F603-Y608 AromaticContact CZ-CG 3.89Å; F603-Y608 HydrophobicContact CZ-CG 3.89Å; W604-Y608 HydrophobicContact CB-CD2 3.88Å; W604-Y608 HydrophobicContact CB-CE2 3.73Å; W604-Y608 WeakPolarHBondContact O-CD2 2.89Å; W604-Y608 PolarHBondContact O-N 2.7Å
609	R	75.7	Confident	75.8	Confident	36 Å²	36	47.5 Å²	47.5	14%	0.136	21%	0.211	C	C	.	.	S	Bend	trans	-121.4	20.6	176.9	-58.5	-172.7	81.3	-151.1	17.8	112.8	C399 F603 I605 W611 N612 D615	C399-R609 HydrophobicContact CB-CG 4.13Å; F603-R609 HydrophobicContact CE1-CG 3.99Å; F603-R609 HydrophobicContact CZ-CG 4.29Å; I605-R609 HydrophobicContact CG1-CB 4.03Å; I605-R609 CarbonylContact O-C 3.58Å; I605-R609 WeakPolarHBondContact O-CA 3.25Å; I605-R609 PolarHBondContact O-N 3.28Å; R609-W611 PolarHBondContact O-N 3.45Å; R609-N612 HydrophobicContact CB-CB 4.39Å; R609-N612 PolarHBondContact NH2-ND2 3.19Å; R609-N612 WeakPolarHBondContact O-CB 3.42Å; R609-N612 PolarHBondContact O-N 2.83Å; R609-D615 WeakPolarHBondContact CB-OD2 3.36Å; R609-D615 WeakPolarHBondContact CD-OD2 3.15Å; R609-D615 IonicContact CZ-OD1 3.68Å; R609-D615 IonicContact CZ-OD2 2.64Å; R609-D615 VanDerWaalsContact CZ-OD2 3.22Å; R609-D615 IonicContact NE-OD2 3.93Å; R609-D615 PolarHBondContact NE-OD2 3.39Å; R609-D615 VanDerWaalsContact NH1-CG 3.26Å; R609-D615 IonicContact NH1-OD1 3.7Å; R609-D615 PolarHBondContact NH1-OD1 3.38Å; R609-D615 IonicContact NH1-OD2 2.99Å; R609-D615 PolarHBondContact NH1-OD2 3.34Å
610	R	71.2	Confident	75.1	Confident	11 Å²	11	41.5 Å²	41.5	4%	0.042	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.4	-175.7	74.7	-178.8	166.2	159.4	-3.6	115.3	F126 D537 I605 E606 Y607	F126-R610 PolarHBondContact O-NH2 3.06Å; D537-R610 VanDerWaalsContact CG-NH1 3.26Å; D537-R610 IonicContact OD1-CZ 3.8Å; D537-R610 IonicContact OD1-NH1 3.66Å; D537-R610 PolarHBondContact OD1-NH1 3.43Å; D537-R610 IonicContact OD1-NH2 3.67Å; D537-R610 PolarHBondContact OD1-NH2 3.27Å; D537-R610 IonicContact OD2-CZ 2.67Å; D537-R610 IonicContact OD2-NH1 3.11Å; D537-R610 PolarHBondContact OD2-NH1 2.93Å; I605-R610 PolarHBondContact O-N 2.8Å; E606-R610 WeakPolarHBondContact O-CB 3.44Å; Y607-R610 WeakPolarHBondContact O-CG 3.49Å
611	W	65.5	Low	74.4	Confident	34 Å²	34	34.8 Å²	34.8	13%	0.129	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-8.8	178.7	-52.8	129.8	0	0	0	113.4	F126 F128 F145 R609 P613 L618	F126-W611 VanDerWaalsContact C-CD1 3.49Å; F126-W611 PolarHBondContact O-NE1 3.04Å; F128-W611 HydrophobicContact CB-CB 4.05Å; F128-W611 HydrophobicContact CB-CD2 3.53Å; F128-W611 HydrophobicContact CB-CE3 3.83Å; F128-W611 HydrophobicContact CB-CG 3.63Å; F128-W611 HydrophobicContact CB-CZ3 4.5Å; F128-W611 HydrophobicContact CD1-CE3 4.21Å; F128-W611 VanDerWaalsContact N-CZ2 3.3Å; F128-W611 WeakPolarHBondContact O-CH2 3.26Å; F128-W611 WeakPolarHBondContact O-CZ3 3.21Å; F145-W611 HydrophobicContact CB-CB 3.93Å; F145-W611 HydrophobicContact CB-CG 4.41Å; F145-W611 HydrophobicContact CD1-CB 3.22Å; F145-W611 HydrophobicContact CD1-CG 4.36Å; F145-W611 HydrophobicContact CD2-CB 4.38Å; F145-W611 HydrophobicContact CE1-CB 3.8Å; F145-W611 WeakPolarHBondContact CE1-O 3.11Å; F145-W611 HydrophobicContact CG-CB 3.59Å; F145-W611 WeakPolarHBondContact CZ-O 3.48Å; R609-W611 PolarHBondContact O-N 3.45Å; W611-P613 WeakPolarHBondContact O-CD 3.44Å; W611-P613 VanDerWaalsContact O-N 3.14Å; W611-L618 HydrophobicContact CZ3-CD2 4.5Å
612	N	64.7	Low	73.5	Confident	8 Å²	8	36.7 Å²	36.7	4%	0.043	18%	0.178	C	C	.	.			trans	-66.9	111.4	171.4	-171	-15.8	0	0	0	109.1	F145 R609 A614 D615 N616	F145-N612 HydrophobicContact CE2-CB 3.93Å; F145-N612 HydrophobicContact CZ-CB 4.04Å; R609-N612 HydrophobicContact CB-CB 4.39Å; R609-N612 PolarHBondContact NH2-ND2 3.19Å; R609-N612 WeakPolarHBondContact O-CB 3.42Å; R609-N612 PolarHBondContact O-N 2.83Å; N612-A614 PolarHBondContact O-N 3.07Å; N612-A614 VanDerWaalsContact O-N 3.16Å; N612-A614 WeakPolarHBondContact OD1-CB 3.44Å; N612-A614 PolarHBondContact OD1-N 2.75Å; N612-D615 HydrophobicContact CB-CB 4.32Å; N612-D615 PolarHBondContact O-N 3.49Å; N612-D615 VanDerWaalsContact O-N 3.1Å; N612-N616 PolarHBondContact O-N 2.75Å
613	P	56.1	Low	72.9	Confident	26 Å²	26	34 Å²	34	17%	0.169	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-26	-178.2	-21.3	35.4	0	0	0	112.3	F137 W611 N616	F137-P613 VanDerWaalsContact C-CB 3.44Å; F137-P613 WeakPolarHBondContact O-CB 3.38Å; F137-P613 WeakPolarHBondContact O-CG 3.45Å; W611-P613 WeakPolarHBondContact O-CD 3.44Å; W611-P613 VanDerWaalsContact O-N 3.14Å; P613-N616 PolarHBondContact O-N 3.02Å
614	A	57.5	Low	72.4	Confident	49 Å²	49	39.3 Å²	39.3	41%	0.405	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-39.1	176.6	0	0	0	0	0	112.7	N612 N616	N612-A614 PolarHBondContact O-N 3.07Å; N612-A614 VanDerWaalsContact O-N 3.16Å; N612-A614 WeakPolarHBondContact OD1-CB 3.44Å; N612-A614 PolarHBondContact OD1-N 2.75Å; A614-N616 VanDerWaalsContact C-N 3.34Å
615	D	63.4	Low	71.8	Confident	29 Å²	29	40.1 Å²	40.1	16%	0.155	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-34	-178.8	-71.1	-21.1	0	0	0	110.4	I605 R609 N612 S617 K620	I605-D615 HydrophobicContact CD1-CB 4.4Å; R609-D615 WeakPolarHBondContact CB-OD2 3.36Å; R609-D615 WeakPolarHBondContact CD-OD2 3.15Å; R609-D615 IonicContact CZ-OD1 3.68Å; R609-D615 IonicContact CZ-OD2 2.64Å; R609-D615 VanDerWaalsContact CZ-OD2 3.22Å; R609-D615 IonicContact NE-OD2 3.93Å; R609-D615 PolarHBondContact NE-OD2 3.39Å; R609-D615 VanDerWaalsContact NH1-CG 3.26Å; R609-D615 IonicContact NH1-OD1 3.7Å; R609-D615 PolarHBondContact NH1-OD1 3.38Å; R609-D615 IonicContact NH1-OD2 2.99Å; R609-D615 PolarHBondContact NH1-OD2 3.34Å; N612-D615 HydrophobicContact CB-CB 4.32Å; N612-D615 PolarHBondContact O-N 3.49Å; N612-D615 VanDerWaalsContact O-N 3.1Å; D615-S617 PolarHBondContact O-N 2.94Å; D615-K620 WeakPolarHBondContact O-CD 3.34Å; D615-K620 WeakPolarHBondContact O-CE 3.33Å; D615-K620 PolarHBondContact O-NZ 2.81Å
616	N	65.9	Low	71.5	Confident	34 Å²	34	42.4 Å²	42.4	18%	0.182	21%	0.205	C	C	.	.			trans	45.1	34.9	-174.9	-155.4	15.7	0	0	0	112.2	N612 P613 A614 L618 H619 K620	N612-N616 PolarHBondContact O-N 2.75Å; P613-N616 PolarHBondContact O-N 3.02Å; A614-N616 VanDerWaalsContact C-N 3.34Å; N616-L618 PolarHBondContact O-N 3.01Å; N616-H619 PolarHBondContact ND2-CD2 3.27Å; N616-H619 PolarHBondContact O-N 2.84Å; N616-H619 WeakPolarHBondContact OD1-CB 3.49Å; N616-K620 WeakPolarHBondContact O-CB 3.47Å; N616-K620 VanDerWaalsContact O-CG 3.25Å; N616-K620 WeakPolarHBondContact O-CG 3.39Å; N616-K620 PolarHBondContact O-N 2.57Å
617	S	68.8	Low	71.5	Confident	9 Å²	9	45.3 Å²	45.3	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-70.2	-38.8	-161.6	60.2	0	0	0	0	112	D615 M621	D615-S617 PolarHBondContact O-N 2.94Å; S617-M621 WeakPolarHBondContact O-CB 3.49Å; S617-M621 PolarHBondContact O-N 3.42Å
618	L	66.6	Low	71.4	Confident	32 Å²	32	50.6 Å²	50.6	17%	0.168	24%	0.242	C	C	.	.	H	α-helix	trans	-68	-43.2	176.1	-171.9	63.2	0	0	0	112.2	L530 I533 W611 N616 M621 N622	L530-L618 HydrophobicContact CD1-CD1 4.02Å; I533-L618 HydrophobicContact CD1-CD1 4.32Å; W611-L618 HydrophobicContact CZ3-CD2 4.5Å; N616-L618 PolarHBondContact O-N 3.01Å; L618-M621 HydrophobicContact CD1-CE 3.82Å; L618-M621 HydrophobicContact CD1-SD 4.45Å; L618-M621 WeakPolarHBondContact O-CB 3.49Å; L618-M621 PolarHBondContact O-N 2.96Å; L618-N622 PolarHBondContact O-N 3.5Å; L618-N622 PolarHBondContact O-ND2 2.8Å
619	H	69.6	Low	71.3	Confident	50 Å²	50	54 Å²	54	23%	0.231	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-49.1	174.9	-178.2	77.8	0	0	0	110.9	E135 N616 M621 N622 E623	E135-H619 IonicContact OE1-CE1 3.76Å; E135-H619 IonicContact OE1-CG 3.67Å; E135-H619 IonicContact OE1-ND1 2.8Å; E135-H619 PolarHBondContact OE1-ND1 3.29Å; E135-H619 IonicContact OE2-CE1 3.64Å; E135-H619 IonicContact OE2-ND1 3.4Å; E135-H619 PolarHBondContact OE2-ND1 2.89Å; N616-H619 PolarHBondContact ND2-CD2 3.27Å; N616-H619 PolarHBondContact O-N 2.84Å; N616-H619 WeakPolarHBondContact OD1-CB 3.49Å; H619-M621 PolarHBondContact O-N 2.88Å; H619-N622 PolarHBondContact O-N 3.47Å; H619-N622 VanDerWaalsContact O-N 3.09Å; H619-E623 PolarHBondContact O-N 2.64Å
620	K	73.2	Confident	71.7	Confident	99 Å²	99	57.2 Å²	57.2	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-55.8	-38.9	174.9	-74.8	171	-177.6	163.6	0	111.7	D615 N616 R624	D615-K620 WeakPolarHBondContact O-CD 3.34Å; D615-K620 WeakPolarHBondContact O-CE 3.33Å; D615-K620 PolarHBondContact O-NZ 2.81Å; N616-K620 WeakPolarHBondContact O-CB 3.47Å; N616-K620 VanDerWaalsContact O-CG 3.25Å; N616-K620 WeakPolarHBondContact O-CG 3.39Å; N616-K620 PolarHBondContact O-N 2.57Å; K620-R624 VanDerWaalsContact O-CB 3.32Å; K620-R624 WeakPolarHBondContact O-CB 3.45Å; K620-R624 WeakPolarHBondContact O-CD 3.33Å; K620-R624 WeakPolarHBondContact O-CG 3.41Å; K620-R624 PolarHBondContact O-N 2.91Å
621	M	75.3	Confident	72.2	Confident	25 Å²	25	62 Å²	62	12%	0.123	30%	0.295	C	S	.	.	H	α-helix	trans	-66	-45.8	175.9	-171	-150.2	-51.4	0	0	112.1	L530 I533 E606 S617 L618 H619 R624 A625	L530-M621 HydrophobicContact CB-SD 4.14Å; I533-M621 HydrophobicContact CD1-CE 3.5Å; E606-M621 HydrophobicContact CB-CE 3.27Å; E606-M621 HydrophobicContact CG-CE 3.51Å; S617-M621 WeakPolarHBondContact O-CB 3.49Å; S617-M621 PolarHBondContact O-N 3.42Å; L618-M621 HydrophobicContact CD1-CE 3.82Å; L618-M621 HydrophobicContact CD1-SD 4.45Å; L618-M621 WeakPolarHBondContact O-CB 3.49Å; L618-M621 PolarHBondContact O-N 2.96Å; H619-M621 PolarHBondContact O-N 2.88Å; M621-R624 PolarHBondContact O-N 3.27Å; M621-A625 WeakPolarHBondContact O-CB 3.41Å; M621-A625 PolarHBondContact O-N 3.14Å
622	N	73.4	Confident	72.8	Confident	57 Å²	57	62.2 Å²	62.2	31%	0.305	30%	0.3	S	S	.	.	H	α-helix	trans	-64.1	-43.3	178.4	-73.8	-27.3	0	0	0	112	L618 H619 A625 K626	L618-N622 PolarHBondContact O-N 3.5Å; L618-N622 PolarHBondContact O-ND2 2.8Å; H619-N622 PolarHBondContact O-N 3.47Å; H619-N622 VanDerWaalsContact O-N 3.09Å; N622-A625 PolarHBondContact O-N 3.3Å; N622-K626 PolarHBondContact O-N 3.4Å
623	E	76.2	Confident	73.7	Confident	90 Å²	90	66.6 Å²	66.6	42%	0.421	32%	0.324	S	S	.	.	H	α-helix	trans	-64.2	-42.6	175.6	-72.5	-56.8	111.3	0	0	111.4	H619 A625 K626 L627	H619-E623 PolarHBondContact O-N 2.64Å; E623-A625 PolarHBondContact O-N 3.44Å; E623-K626 WeakPolarHBondContact O-CB 3.48Å; E623-K626 PolarHBondContact O-N 3.26Å; E623-L627 WeakPolarHBondContact O-CB 3.5Å; E623-L627 PolarHBondContact O-N 2.99Å
624	R	79.4	Confident	75.1	Confident	142 Å²	142	69.4 Å²	69.4	54%	0.536	34%	0.34	S	S	.	.	H	α-helix	trans	-58.7	-45.3	171.6	-76.7	171.3	-175	173.7	2.5	111.6	K620 M621 K626 L627 Y628	K620-R624 VanDerWaalsContact O-CB 3.32Å; K620-R624 WeakPolarHBondContact O-CB 3.45Å; K620-R624 WeakPolarHBondContact O-CD 3.33Å; K620-R624 WeakPolarHBondContact O-CG 3.41Å; K620-R624 PolarHBondContact O-N 2.91Å; M621-R624 PolarHBondContact O-N 3.27Å; R624-K626 VanDerWaalsContact C-N 3.32Å; R624-K626 PolarHBondContact O-N 2.91Å; R624-L627 PolarHBondContact O-N 3.36Å; R624-Y628 HydrophobicContact CB-CD2 4.36Å; R624-Y628 HydrophobicContact CB-CE2 4.21Å; R624-Y628 WeakPolarHBondContact O-CB 3.46Å; R624-Y628 WeakPolarHBondContact O-CD2 3.42Å; R624-Y628 PolarHBondContact O-N 2.89Å
625	A	74.8	Confident	76.3	Confident	16 Å²	16	75.4 Å²	75.4	13%	0.132	35%	0.352	C	S	.	.	H	α-helix	trans	-63.5	-37.8	178.7	0	0	0	0	0	112.2	M621 N622 E623 R629	M621-A625 WeakPolarHBondContact O-CB 3.41Å; M621-A625 PolarHBondContact O-N 3.14Å; N622-A625 PolarHBondContact O-N 3.3Å; E623-A625 PolarHBondContact O-N 3.44Å; A625-R629 WeakPolarHBondContact O-CG 3.08Å; A625-R629 PolarHBondContact O-N 3.26Å; A625-R629 VanDerWaalsContact O-N 3.09Å; A625-R629 PolarHBondContact O-NE 3.32Å
626	K	78.5	Confident	77.2	Confident	104 Å²	104	78.7 Å²	78.7	45%	0.452	37%	0.369	S	S	.	.	H	α-helix	trans	-64	-47	172.9	-173.8	-176.5	175.9	-169.1	0	111.5	N622 E623 R624 R629 Q630	N622-K626 PolarHBondContact O-N 3.4Å; E623-K626 WeakPolarHBondContact O-CB 3.48Å; E623-K626 PolarHBondContact O-N 3.26Å; R624-K626 VanDerWaalsContact C-N 3.32Å; R624-K626 PolarHBondContact O-N 2.91Å; K626-R629 PolarHBondContact O-N 3.48Å; K626-Q630 WeakPolarHBondContact O-CG 3.48Å; K626-Q630 PolarHBondContact O-N 3.15Å; K626-Q630 VanDerWaalsContact O-N 3.14Å
627	L	82.3	Confident	78.3	Confident	96 Å²	96	81.2 Å²	81.2	50%	0.503	39%	0.386	S	S	.	.	H	α-helix	trans	-61.4	-45	176.9	-176.7	64.7	0	0	0	111.7	E623 R624 R629 Q630 M631	E623-L627 WeakPolarHBondContact O-CB 3.5Å; E623-L627 PolarHBondContact O-N 2.99Å; R624-L627 PolarHBondContact O-N 3.36Å; L627-R629 VanDerWaalsContact C-N 3.33Å; L627-R629 PolarHBondContact O-N 2.9Å; L627-Q630 WeakPolarHBondContact O-CB 3.37Å; L627-Q630 PolarHBondContact O-N 2.88Å; L627-Q630 VanDerWaalsContact O-N 3.15Å; L627-M631 HydrophobicContact CG-SD 4.38Å; L627-M631 WeakPolarHBondContact O-CG 3.34Å; L627-M631 PolarHBondContact O-N 2.73Å
628	Y	79.9	Confident	79.2	Confident	113 Å²	113	85.5 Å²	85.5	44%	0.443	41%	0.407	S	S	.	.	H	α-helix	trans	-62.8	-38.1	177.7	-76.7	-57.9	0	0	0	112.6	P581 T582 R624 Q630 M631 V632	P581-Y628 HydrophobicContact CG-CG 4.38Å; T582-Y628 HydrophobicContact CG2-CD1 4.3Å; R624-Y628 HydrophobicContact CB-CD2 4.36Å; R624-Y628 HydrophobicContact CB-CE2 4.21Å; R624-Y628 WeakPolarHBondContact O-CB 3.46Å; R624-Y628 WeakPolarHBondContact O-CD2 3.42Å; R624-Y628 PolarHBondContact O-N 2.89Å; Y628-Q630 VanDerWaalsContact C-N 3.32Å; Y628-Q630 PolarHBondContact O-N 3.39Å; Y628-M631 HydrophobicContact CD1-SD 4.2Å; Y628-M631 PolarHBondContact O-N 2.94Å; Y628-V632 WeakPolarHBondContact O-CB 3.46Å; Y628-V632 WeakPolarHBondContact O-CG2 3.49Å; Y628-V632 PolarHBondContact O-N 3.4Å
629	R	79.7	Confident	80.2	Confident	75 Å²	75	86.3 Å²	86.3	28%	0.283	42%	0.416	S	S	.	.	H	α-helix	trans	-59.5	-44.4	173.1	-81	-177.6	-79.3	-158	-1.9	111.5	E576 P581 A625 K626 L627 V632 N633	E576-R629 PolarHBondContact O-NH1 3.44Å; P581-R629 HydrophobicContact CB-CG 3.98Å; P581-R629 HydrophobicContact CG-CG 4.25Å; A625-R629 WeakPolarHBondContact O-CG 3.08Å; A625-R629 PolarHBondContact O-N 3.26Å; A625-R629 VanDerWaalsContact O-N 3.09Å; A625-R629 PolarHBondContact O-NE 3.32Å; K626-R629 PolarHBondContact O-N 3.48Å; L627-R629 VanDerWaalsContact C-N 3.33Å; L627-R629 PolarHBondContact O-N 2.9Å; R629-V632 PolarHBondContact O-N 3.14Å; R629-N633 VanDerWaalsContact O-CG 3.26Å; R629-N633 PolarHBondContact O-N 2.93Å
630	Q	83.6	Confident	81.1	Confident	103 Å²	103	89.5 Å²	89.5	48%	0.481	43%	0.431	S	S	.	.	H	α-helix	trans	-61	-46.3	175	-67.2	172.4	-23.7	0	0	111.5	K626 L627 Y628 V632 N633 V634	K626-Q630 WeakPolarHBondContact O-CG 3.48Å; K626-Q630 PolarHBondContact O-N 3.15Å; K626-Q630 VanDerWaalsContact O-N 3.14Å; L627-Q630 WeakPolarHBondContact O-CB 3.37Å; L627-Q630 PolarHBondContact O-N 2.88Å; L627-Q630 VanDerWaalsContact O-N 3.15Å; Y628-Q630 VanDerWaalsContact C-N 3.32Å; Y628-Q630 PolarHBondContact O-N 3.39Å; Q630-V632 VanDerWaalsContact C-N 3.33Å; Q630-V632 PolarHBondContact O-N 3.39Å; Q630-N633 PolarHBondContact O-N 2.82Å; Q630-V634 WeakPolarHBondContact O-CG2 3.41Å; Q630-V634 PolarHBondContact O-N 3.44Å
631	M	81.7	Confident	82	Confident	110 Å²	110	91.1 Å²	91.1	54%	0.542	44%	0.438	S	S	.	.	H	α-helix	trans	-60.8	-39.8	178.1	-70	177.5	66.6	0	0	112.8	L627 Y628 V634 R635	L627-M631 HydrophobicContact CG-SD 4.38Å; L627-M631 WeakPolarHBondContact O-CG 3.34Å; L627-M631 PolarHBondContact O-N 2.73Å; Y628-M631 HydrophobicContact CD1-SD 4.2Å; Y628-M631 PolarHBondContact O-N 2.94Å; M631-V634 PolarHBondContact O-N 3.44Å; M631-R635 WeakPolarHBondContact O-CB 3.49Å; M631-R635 PolarHBondContact O-N 3.05Å
632	V	78.8	Confident	82.7	Confident	39 Å²	39	94.6 Å²	94.6	24%	0.236	46%	0.455	C	S	.	.	H	α-helix	trans	-70.1	-41.3	178.8	169.4	0	0	0	0	111.3	P581 Y628 R629 Q630 V634 R635 L636	P581-V632 HydrophobicContact CB-CB 4.4Å; P581-V632 HydrophobicContact CB-CG2 3.97Å; P581-V632 VanDerWaalsContact O-CG2 3.31Å; P581-V632 WeakPolarHBondContact O-CG2 3.47Å; Y628-V632 WeakPolarHBondContact O-CB 3.46Å; Y628-V632 WeakPolarHBondContact O-CG2 3.49Å; Y628-V632 PolarHBondContact O-N 3.4Å; R629-V632 PolarHBondContact O-N 3.14Å; Q630-V632 VanDerWaalsContact C-N 3.33Å; Q630-V632 PolarHBondContact O-N 3.39Å; V632-V634 VanDerWaalsContact C-N 3.32Å; V632-V634 PolarHBondContact O-N 3.06Å; V632-R635 WeakPolarHBondContact O-CB 3.36Å; V632-R635 PolarHBondContact O-N 3.05Å; V632-R635 VanDerWaalsContact O-N 3.14Å; V632-L636 HydrophobicContact CG1-CD1 4.23Å; V632-L636 HydrophobicContact CG1-CG 4.5Å; V632-L636 WeakPolarHBondContact O-CG 3.48Å; V632-L636 PolarHBondContact O-N 3.4Å
633	N	82.5	Confident	83.5	Confident	100 Å²	100	97.5 Å²	97.5	54%	0.535	47%	0.467	S	S	.	.	H	α-helix	trans	-58.8	-44.9	172.8	-70.6	-12.2	0	0	0	111.3	R629 Q630 R635 L636 V637	R629-N633 VanDerWaalsContact O-CG 3.26Å; R629-N633 PolarHBondContact O-N 2.93Å; Q630-N633 PolarHBondContact O-N 2.82Å; N633-R635 VanDerWaalsContact C-N 3.34Å; N633-R635 PolarHBondContact O-N 3.48Å; N633-L636 PolarHBondContact O-N 3.45Å; N633-V637 WeakPolarHBondContact O-CG2 3.45Å; N633-V637 PolarHBondContact O-N 3.29Å
634	V	85.2	Confident	84.2	Confident	85 Å²	85	98.6 Å²	98.6	52%	0.515	47%	0.472	S	S	.	.	H	α-helix	trans	-59.8	-44.8	174.4	171.9	0	0	0	0	110.9	Q630 M631 V632 L636 V637 L638	Q630-V634 WeakPolarHBondContact O-CG2 3.41Å; Q630-V634 PolarHBondContact O-N 3.44Å; M631-V634 PolarHBondContact O-N 3.44Å; V632-V634 VanDerWaalsContact C-N 3.32Å; V632-V634 PolarHBondContact O-N 3.06Å; V634-L636 PolarHBondContact O-N 3.42Å; V634-V637 PolarHBondContact O-N 3.33Å; V634-L638 HydrophobicContact CG1-CD1 3.88Å; V634-L638 HydrophobicContact CG1-CG 4.33Å; V634-L638 WeakPolarHBondContact O-CB 3.41Å; V634-L638 VanDerWaalsContact O-CG 3.26Å; V634-L638 WeakPolarHBondContact O-CG 3.39Å; V634-L638 PolarHBondContact O-N 3.03Å
635	R	83.1	Confident	84.7	Confident	176 Å²	176	96.8 Å²	96.8	66%	0.664	47%	0.472	S	S	*	.	H	α-helix	trans	-61.9	-39.8	177.8	-176.5	-178.6	175.8	-174	-0.8	112.6	M631 V632 N633 S639	M631-R635 WeakPolarHBondContact O-CB 3.49Å; M631-R635 PolarHBondContact O-N 3.05Å; V632-R635 WeakPolarHBondContact O-CB 3.36Å; V632-R635 PolarHBondContact O-N 3.05Å; V632-R635 VanDerWaalsContact O-N 3.14Å; N633-R635 VanDerWaalsContact C-N 3.34Å; N633-R635 PolarHBondContact O-N 3.48Å; R635-S639 WeakPolarHBondContact O-CB 3.45Å; R635-S639 PolarHBondContact O-N 3.44Å; R635-S639 PolarHBondContact O-OG 3.47Å
636	L	82.9	Confident	85.4	Confident	97 Å²	97	103.4 Å²	103.4	51%	0.508	49%	0.494	S	S	.	.	H	α-helix	trans	-64	-50.6	177.1	-73.3	170.7	0	0	0	110.9	V632 N633 V634 L638 S639 E640	V632-L636 HydrophobicContact CG1-CD1 4.23Å; V632-L636 HydrophobicContact CG1-CG 4.5Å; V632-L636 WeakPolarHBondContact O-CG 3.48Å; V632-L636 PolarHBondContact O-N 3.4Å; N633-L636 PolarHBondContact O-N 3.45Å; V634-L636 PolarHBondContact O-N 3.42Å; L636-L638 VanDerWaalsContact C-N 3.31Å; L636-L638 PolarHBondContact O-N 2.98Å; L636-S639 WeakPolarHBondContact O-CB 3.32Å; L636-S639 PolarHBondContact O-N 3.44Å; L636-E640 PolarHBondContact O-N 3.44Å
637	V	89.3	Confident	85.9	Confident	87 Å²	87	105.1 Å²	105.1	53%	0.527	50%	0.501	S	S	.	.	H	α-helix	trans	-57.8	-42.6	176.7	172.4	0	0	0	0	111.6	N633 V634 K641	N633-V637 WeakPolarHBondContact O-CG2 3.45Å; N633-V637 PolarHBondContact O-N 3.29Å; V634-V637 PolarHBondContact O-N 3.33Å; V637-K641 WeakPolarHBondContact O-CB 3.47Å; V637-K641 PolarHBondContact O-N 2.93Å
638	L	87.8	Confident	86.2	Confident	99 Å²	99	106.8 Å²	106.8	52%	0.518	51%	0.505	S	S	.	.	H	α-helix	trans	-65.3	-38.2	175.6	-71.6	174.4	0	0	0	112.4	V634 L636 K641 M642	V634-L638 HydrophobicContact CG1-CD1 3.88Å; V634-L638 HydrophobicContact CG1-CG 4.33Å; V634-L638 WeakPolarHBondContact O-CB 3.41Å; V634-L638 VanDerWaalsContact O-CG 3.26Å; V634-L638 WeakPolarHBondContact O-CG 3.39Å; V634-L638 PolarHBondContact O-N 3.03Å; L636-L638 VanDerWaalsContact C-N 3.31Å; L636-L638 PolarHBondContact O-N 2.98Å; L638-K641 PolarHBondContact O-N 3.44Å; L638-M642 WeakPolarHBondContact O-CB 3.43Å; L638-M642 WeakPolarHBondContact O-CG 3.34Å; L638-M642 PolarHBondContact O-N 3.29Å
639	S	87	Confident	86.4	Confident	49 Å²	49	106.7 Å²	106.7	34%	0.343	51%	0.508	S	S	.	.	H	α-helix	trans	-67.5	-41	179.1	-60	0	0	0	0	111.8	R635 L636 M642 Q643	R635-S639 WeakPolarHBondContact O-CB 3.45Å; R635-S639 PolarHBondContact O-N 3.44Å; R635-S639 PolarHBondContact O-OG 3.47Å; L636-S639 WeakPolarHBondContact O-CB 3.32Å; L636-S639 PolarHBondContact O-N 3.44Å; S639-M642 PolarHBondContact O-N 3.36Å; S639-Q643 WeakPolarHBondContact O-CG 3.33Å; S639-Q643 PolarHBondContact O-N 2.98Å
640	E	89.6	Confident	86.5	Confident	117 Å²	117	110.7 Å²	110.7	55%	0.547	53%	0.527	S	S	.	.	H	α-helix	trans	-61	-49.6	172.9	-71.1	174	166.7	0	0	110.9	L636 M642 Q643 E644	L636-E640 PolarHBondContact O-N 3.44Å; E640-M642 VanDerWaalsContact C-N 3.31Å; E640-M642 PolarHBondContact O-N 2.92Å; E640-Q643 WeakPolarHBondContact O-CB 3.26Å; E640-Q643 PolarHBondContact O-N 3.18Å; E640-E644 PolarHBondContact O-N 2.97Å
641	K	91.4	Very high	86.3	Confident	133 Å²	133	110.8 Å²	110.8	58%	0.578	53%	0.531	S	S	*	.	H	α-helix	trans	-61.6	-37.4	178.1	-165.6	161.3	-174.5	172.3	0	112.6	V637 L638 E644 L645	V637-K641 WeakPolarHBondContact O-CB 3.47Å; V637-K641 PolarHBondContact O-N 2.93Å; L638-K641 PolarHBondContact O-N 3.44Å; K641-E644 PolarHBondContact O-N 3.48Å; K641-L645 VanDerWaalsContact O-CG 3.32Å; K641-L645 WeakPolarHBondContact O-CG 3.32Å; K641-L645 PolarHBondContact O-N 2.88Å
642	M	89.3	Confident	86	Confident	99 Å²	99	109.7 Å²	109.7	49%	0.488	53%	0.533	S	S	.	.	H	α-helix	trans	-64.1	-40.1	172.3	-82.5	-179.4	42.5	0	0	112.7	L638 S639 E640 L645 R646	L638-M642 WeakPolarHBondContact O-CB 3.43Å; L638-M642 WeakPolarHBondContact O-CG 3.34Å; L638-M642 PolarHBondContact O-N 3.29Å; S639-M642 PolarHBondContact O-N 3.36Å; E640-M642 VanDerWaalsContact C-N 3.31Å; E640-M642 PolarHBondContact O-N 2.92Å; M642-L645 PolarHBondContact O-N 3.06Å; M642-R646 WeakPolarHBondContact O-CB 3.42Å; M642-R646 WeakPolarHBondContact O-CG 3.21Å; M642-R646 PolarHBondContact O-N 3.26Å
643	Q	90.1	Very high	85.4	Confident	118 Å²	118	115.9 Å²	115.9	55%	0.551	55%	0.552	S	S	*	*	H	α-helix	trans	-66	-40.7	176.1	-72.9	-179.8	7.1	0	0	111.6	S639 E640 R646 K647	S639-Q643 WeakPolarHBondContact O-CG 3.33Å; S639-Q643 PolarHBondContact O-N 2.98Å; E640-Q643 WeakPolarHBondContact O-CB 3.26Å; E640-Q643 PolarHBondContact O-N 3.18Å; Q643-R646 PolarHBondContact O-N 3.33Å; Q643-K647 WeakPolarHBondContact O-CG 3.45Å; Q643-K647 PolarHBondContact O-N 3.05Å
644	E	90.9	Very high	84.4	Confident	112 Å²	112	114.2 Å²	114.2	52%	0.523	55%	0.549	S	S	.	.	H	α-helix	trans	-60.1	-47.3	173.2	-71	-178.5	171.9	0	0	112.1	E640 K641 R646 K647 K648	E640-E644 PolarHBondContact O-N 2.97Å; K641-E644 PolarHBondContact O-N 3.48Å; E644-R646 VanDerWaalsContact C-N 3.33Å; E644-R646 PolarHBondContact O-N 3.06Å; E644-K647 WeakPolarHBondContact O-CB 3.18Å; E644-K647 PolarHBondContact O-N 3.28Å; E644-K648 WeakPolarHBondContact O-CG 3.44Å; E644-K648 PolarHBondContact O-N 3.49Å
645	L	90.5	Very high	83.3	Confident	104 Å²	104	114.2 Å²	114.2	55%	0.545	55%	0.549	S	S	.	.	H	α-helix	trans	-61.6	-40.5	177	-72.9	171.5	0	0	0	111.9	K641 M642 K647 K648 Q649	K641-L645 VanDerWaalsContact O-CG 3.32Å; K641-L645 WeakPolarHBondContact O-CG 3.32Å; K641-L645 PolarHBondContact O-N 2.88Å; M642-L645 PolarHBondContact O-N 3.06Å; L645-K647 PolarHBondContact O-N 3.47Å; L645-K648 PolarHBondContact O-N 3.34Å; L645-Q649 WeakPolarHBondContact O-CB 3.38Å; L645-Q649 PolarHBondContact O-N 3.14Å
646	R	89.7	Confident	82.2	Confident	156 Å²	156	109.7 Å²	109.7	59%	0.589	54%	0.541	S	S	*	.	H	α-helix	trans	-62.9	-39.5	174.2	-76.7	175.9	175.8	179.8	-0.5	112.3	M642 Q643 E644 Q649 K650	M642-R646 WeakPolarHBondContact O-CB 3.42Å; M642-R646 WeakPolarHBondContact O-CG 3.21Å; M642-R646 PolarHBondContact O-N 3.26Å; Q643-R646 PolarHBondContact O-N 3.33Å; E644-R646 VanDerWaalsContact C-N 3.33Å; E644-R646 PolarHBondContact O-N 3.06Å; R646-Q649 PolarHBondContact O-N 2.84Å; R646-K650 WeakPolarHBondContact O-CG 3.41Å; R646-K650 PolarHBondContact O-N 3.06Å
647	K	88.1	Confident	81	Confident	140 Å²	140	107.9 Å²	107.9	61%	0.609	54%	0.536	S	S	*	.	H	α-helix	trans	-63.7	-45.7	173.7	-72.9	177.3	-178.3	178.7	0	111	Q643 E644 L645 Q649 K650 N651	Q643-K647 WeakPolarHBondContact O-CG 3.45Å; Q643-K647 PolarHBondContact O-N 3.05Å; E644-K647 WeakPolarHBondContact O-CB 3.18Å; E644-K647 PolarHBondContact O-N 3.28Å; L645-K647 PolarHBondContact O-N 3.47Å; K647-Q649 PolarHBondContact O-N 3.49Å; K647-K650 PolarHBondContact O-N 3.42Å; K647-N651 PolarHBondContact O-N 3.47Å; K647-N651 PolarHBondContact O-OD1 3.36Å
648	K	88.8	Confident	79.4	Confident	131 Å²	131	106.4 Å²	106.4	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-59.8	-42.9	175.6	-71	-178.5	-179.2	-178.1	0	112.3	E644 L645 N651 C652	E644-K648 WeakPolarHBondContact O-CG 3.44Å; E644-K648 PolarHBondContact O-N 3.49Å; L645-K648 PolarHBondContact O-N 3.34Å; K648-N651 PolarHBondContact O-N 2.9Å; K648-C652 PolarHBondContact O-N 2.97Å
649	Q	84.6	Confident	78	Confident	111 Å²	111	104.9 Å²	104.9	52%	0.519	53%	0.525	S	S	.	.	H	α-helix	trans	-65.5	-38.6	178	-166.7	-180	20.4	0	0	112.6	L645 R646 K647 C652 R653	L645-Q649 WeakPolarHBondContact O-CB 3.38Å; L645-Q649 PolarHBondContact O-N 3.14Å; R646-Q649 PolarHBondContact O-N 2.84Å; K647-Q649 PolarHBondContact O-N 3.49Å; Q649-C652 PolarHBondContact O-N 2.96Å; Q649-R653 WeakPolarHBondContact O-CG 2.69Å; Q649-R653 PolarHBondContact O-N 3.07Å
650	K	81.6	Confident	76.4	Confident	158 Å²	158	107.3 Å²	107.3	69%	0.687	53%	0.533	S	S	*	.	H	α-helix	trans	-62.4	-42.5	172.9	-77	-176.2	176	-172	0	111.6	R646 K647 R653 S654	R646-K650 WeakPolarHBondContact O-CG 3.41Å; R646-K650 PolarHBondContact O-N 3.06Å; K647-K650 PolarHBondContact O-N 3.42Å; K650-R653 PolarHBondContact O-N 2.97Å; K650-S654 PolarHBondContact O-N 2.94Å; K650-S654 PolarHBondContact O-OG 3.15Å
651	N	79.4	Confident	74.7	Confident	105 Å²	105	106.8 Å²	106.8	56%	0.561	53%	0.534	S	S	*	.	H	α-helix	trans	-66.8	-39.9	177.2	-67.1	0.2	0	0	0	112.4	K647 K648 R653 S654 V655	K647-N651 PolarHBondContact O-N 3.47Å; K647-N651 PolarHBondContact O-OD1 3.36Å; K648-N651 PolarHBondContact O-N 2.9Å; N651-R653 VanDerWaalsContact C-N 3.34Å; N651-R653 PolarHBondContact O-N 3.48Å; N651-S654 WeakPolarHBondContact CA-OG 3.31Å; N651-S654 PolarHBondContact O-N 2.92Å; N651-S654 PolarHBondContact O-OG 2.95Å; N651-V655 VanDerWaalsContact O-CG2 3.31Å; N651-V655 WeakPolarHBondContact O-CG2 3.35Å; N651-V655 PolarHBondContact O-N 3.35Å; N651-V655 VanDerWaalsContact O-N 3.15Å
652	C	75.2	Confident	73	Confident	87 Å²	87	105.7 Å²	105.7	59%	0.588	53%	0.534	S	S	*	.	H	α-helix	trans	-64.3	-38	174.4	-74.9	0	0	0	0	112.2	K648 Q649 V655 T656	K648-C652 PolarHBondContact O-N 2.97Å; Q649-C652 PolarHBondContact O-N 2.96Å; C652-V655 PolarHBondContact O-N 3.37Å; C652-T656 PolarHBondContact O-N 2.69Å; C652-T656 PolarHBondContact O-OG1 3.46Å
653	R	67.5	Low	71.3	Confident	169 Å²	169	106 Å²	106	64%	0.638	54%	0.535	S	S	*	.	H	α-helix	trans	-66.3	-39.2	176.5	-77.6	-177.7	178.4	-179	-0.3	112.8	Q649 K650 N651 V655 T656 S657	Q649-R653 WeakPolarHBondContact O-CG 2.69Å; Q649-R653 PolarHBondContact O-N 3.07Å; K650-R653 PolarHBondContact O-N 2.97Å; N651-R653 VanDerWaalsContact C-N 3.34Å; N651-R653 PolarHBondContact O-N 3.48Å; R653-V655 VanDerWaalsContact C-N 3.32Å; R653-T656 WeakPolarHBondContact CA-OG1 3.14Å; R653-T656 PolarHBondContact O-N 3.34Å; R653-T656 PolarHBondContact O-OG1 3.02Å; R653-S657 PolarHBondContact O-N 2.68Å; R653-S657 PolarHBondContact O-OG 3.14Å; R653-S657 VanDerWaalsContact O-OG 3.14Å
654	S	61.5	Low	69.5	Low	65 Å²	65	106 Å²	106	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-65.6	-36.5	175	56.4	0	0	0	0	112.2	K650 N651 S657 S658	K650-S654 PolarHBondContact O-N 2.94Å; K650-S654 PolarHBondContact O-OG 3.15Å; N651-S654 WeakPolarHBondContact CA-OG 3.31Å; N651-S654 PolarHBondContact O-N 2.92Å; N651-S654 PolarHBondContact O-OG 2.95Å; S654-S657 WeakPolarHBondContact CA-OG 3.27Å; S654-S657 PolarHBondContact O-OG 2.98Å; S654-S658 PolarHBondContact O-N 3.48Å; S654-S658 VanDerWaalsContact O-N 3.12Å; S654-S658 PolarHBondContact O-OG 3.11Å
655	V	62.3	Low	67.7	Low	86 Å²	86	105.1 Å²	105.1	52%	0.521	54%	0.537	S	S	.	.	H	α-helix	trans	-68.7	-45.1	176.1	175.5	0	0	0	0	111.2	N651 C652 R653 S657 S658 T659	N651-V655 VanDerWaalsContact O-CG2 3.31Å; N651-V655 WeakPolarHBondContact O-CG2 3.35Å; N651-V655 PolarHBondContact O-N 3.35Å; N651-V655 VanDerWaalsContact O-N 3.15Å; C652-V655 PolarHBondContact O-N 3.37Å; R653-V655 VanDerWaalsContact C-N 3.32Å; V655-S657 PolarHBondContact O-N 2.94Å; V655-S658 WeakPolarHBondContact CA-OG 3.35Å; V655-S658 PolarHBondContact O-N 3.11Å; V655-S658 PolarHBondContact O-OG 3.45Å; V655-T659 PolarHBondContact O-N 2.9Å; V655-T659 PolarHBondContact O-OG1 3.12Å
656	T	59	Low	65.9	Low	80 Å²	80	107 Å²	107	49%	0.491	54%	0.543	S	S	.	.	H	α-helix	trans	-65.8	-35.4	177.1	22.8	0	0	0	0	112.8	C652 R653 S658 T659 L660	C652-T656 PolarHBondContact O-N 2.69Å; C652-T656 PolarHBondContact O-OG1 3.46Å; R653-T656 WeakPolarHBondContact CA-OG1 3.14Å; R653-T656 PolarHBondContact O-N 3.34Å; R653-T656 PolarHBondContact O-OG1 3.02Å; T656-S658 VanDerWaalsContact C-N 3.34Å; T656-T659 PolarHBondContact O-N 3.5Å; T656-L660 WeakPolarHBondContact O-CB 3.42Å; T656-L660 WeakPolarHBondContact O-CG 3.42Å; T656-L660 PolarHBondContact O-N 3.25Å
657	S	56.9	Low	64.2	Low	60 Å²	60	107.2 Å²	107.2	42%	0.42	55%	0.548	S	S	.	.	H	α-helix	trans	-66.5	-34.7	172.7	57.1	0	0	0	0	112.8	R653 S654 V655 N661	R653-S657 PolarHBondContact O-N 2.68Å; R653-S657 PolarHBondContact O-OG 3.14Å; R653-S657 VanDerWaalsContact O-OG 3.14Å; S654-S657 WeakPolarHBondContact CA-OG 3.27Å; S654-S657 PolarHBondContact O-OG 2.98Å; V655-S657 PolarHBondContact O-N 2.94Å; S657-N661 WeakPolarHBondContact O-CB 3.42Å; S657-N661 VanDerWaalsContact O-CG 3.26Å; S657-N661 PolarHBondContact O-N 3.37Å; S657-N661 VanDerWaalsContact O-N 3.11Å; S657-N661 PolarHBondContact O-ND2 2.8Å
658	S	56.6	Low	62.5	Low	56 Å²	56	106.2 Å²	106.2	39%	0.392	55%	0.55	S	S	.	.	H	α-helix	trans	-70.1	-36.6	173.9	48.1	0	0	0	0	112.5	S654 V655 T656 L662	S654-S658 PolarHBondContact O-N 3.48Å; S654-S658 VanDerWaalsContact O-N 3.12Å; S654-S658 PolarHBondContact O-OG 3.11Å; V655-S658 WeakPolarHBondContact CA-OG 3.35Å; V655-S658 PolarHBondContact O-N 3.11Å; V655-S658 PolarHBondContact O-OG 3.45Å; T656-S658 VanDerWaalsContact C-N 3.34Å; S658-L662 WeakPolarHBondContact O-CD1 3.37Å; S658-L662 WeakPolarHBondContact O-CG 3.41Å; S658-L662 PolarHBondContact O-N 3.18Å; S658-L662 VanDerWaalsContact O-N 3.11Å
659	T	57.5	Low	60.8	Low	66 Å²	66	102.2 Å²	102.2	41%	0.405	55%	0.545	S	S	.	.	H	α-helix	trans	-71.1	-40.3	177.5	-42.7	0	0	0	0	112	V655 T656 L662 E663	V655-T659 PolarHBondContact O-N 2.9Å; V655-T659 PolarHBondContact O-OG1 3.12Å; T656-T659 PolarHBondContact O-N 3.5Å; T659-L662 PolarHBondContact O-N 3.33Å; T659-E663 PolarHBondContact O-N 3.44Å
660	L	54.7	Low	59.2	Low	100 Å²	100	102.4 Å²	102.4	52%	0.524	55%	0.554	S	S	.	*	H	α-helix	trans	-64.5	-39	174.7	-78.4	162	0	0	0	112.2	T656 L662 E663 Q664	T656-L660 WeakPolarHBondContact O-CB 3.42Å; T656-L660 WeakPolarHBondContact O-CG 3.42Å; T656-L660 PolarHBondContact O-N 3.25Å; L660-L662 VanDerWaalsContact C-N 3.33Å; L660-L662 PolarHBondContact O-N 3.31Å; L660-E663 PolarHBondContact O-N 2.99Å; L660-Q664 WeakPolarHBondContact O-CB 3.48Å; L660-Q664 PolarHBondContact O-N 3.11Å
661	N	54	Low	57.6	Low	107 Å²	107	103.3 Å²	103.3	57%	0.572	56%	0.56	S	S	*	*	H	α-helix	trans	-66.1	-34.8	174.7	-76.6	-9.7	0	0	0	112.4	S657 T665	S657-N661 WeakPolarHBondContact O-CB 3.42Å; S657-N661 VanDerWaalsContact O-CG 3.26Å; S657-N661 PolarHBondContact O-N 3.37Å; S657-N661 VanDerWaalsContact O-N 3.11Å; S657-N661 PolarHBondContact O-ND2 2.8Å; N661-T665 PolarHBondContact O-N 3.46Å; N661-T665 VanDerWaalsContact O-N 3.11Å; N661-T665 PolarHBondContact O-OG1 3.02Å
662	L	55	Low	55.9	Low	110 Å²	110	104 Å²	104	58%	0.576	57%	0.569	S	S	*	*	H	α-helix	trans	-69.1	-43.5	175.7	-78.5	159.8	0	0	0	111.9	S658 T659 L660 Q664 T665 E666	S658-L662 WeakPolarHBondContact O-CD1 3.37Å; S658-L662 WeakPolarHBondContact O-CG 3.41Å; S658-L662 PolarHBondContact O-N 3.18Å; S658-L662 VanDerWaalsContact O-N 3.11Å; T659-L662 PolarHBondContact O-N 3.33Å; L660-L662 VanDerWaalsContact C-N 3.33Å; L660-L662 PolarHBondContact O-N 3.31Å; L662-Q664 VanDerWaalsContact C-N 3.32Å; L662-Q664 PolarHBondContact O-N 3.03Å; L662-T665 WeakPolarHBondContact CA-OG1 3.15Å; L662-T665 PolarHBondContact O-N 2.75Å; L662-T665 PolarHBondContact O-OG1 2.99Å; L662-E666 PolarHBondContact O-N 3.18Å
663	E	54.3	Low	54.2	Low	106 Å²	106	108.5 Å²	108.5	50%	0.495	60%	0.601	S	S	.	*	H	α-helix	trans	-68	-29.3	176.6	-74.8	-177.4	175.8	0	0	113	T659 L660 K667	T659-E663 PolarHBondContact O-N 3.44Å; L660-E663 PolarHBondContact O-N 2.99Å; E663-K667 PolarHBondContact O-N 3.03Å
664	Q	51.7	Low	53.5	Low	117 Å²	117	105.5 Å²	105.5	55%	0.547	60%	0.599	S	S	.	*	H	α-helix	trans	-73.3	-39.6	173	-112	157.2	-23.8	0	0	112	L660 L662 E666 K667 D668	L660-Q664 WeakPolarHBondContact O-CB 3.48Å; L660-Q664 PolarHBondContact O-N 3.11Å; L662-Q664 VanDerWaalsContact C-N 3.32Å; L662-Q664 PolarHBondContact O-N 3.03Å; Q664-E666 VanDerWaalsContact C-N 3.32Å; Q664-E666 PolarHBondContact O-N 3.45Å; Q664-K667 PolarHBondContact O-N 3.24Å; Q664-D668 PolarHBondContact O-N 3.03Å
665	T	53.5	Low	53.1	Low	94 Å²	94	107.6 Å²	107.6	58%	0.577	61%	0.606	S	S	*	*	H	α-helix	trans	-66.7	-30.1	173.2	43.3	0	0	0	0	113.6	N661 L662 G669	N661-T665 PolarHBondContact O-N 3.46Å; N661-T665 VanDerWaalsContact O-N 3.11Å; N661-T665 PolarHBondContact O-OG1 3.02Å; L662-T665 WeakPolarHBondContact CA-OG1 3.15Å; L662-T665 PolarHBondContact O-N 2.75Å; L662-T665 PolarHBondContact O-OG1 2.99Å; T665-G669 PolarHBondContact O-N 3.31Å
666	E	53.1	Low	52.6	Low	144 Å²	144	108.8 Å²	108.8	67%	0.673	61%	0.611	S	S	*	*	H	α-helix	trans	-76.1	-29.5	174.3	-79.3	-176.3	161.5	0	0	113.1	L662 Q664 V670	L662-E666 PolarHBondContact O-N 3.18Å; Q664-E666 VanDerWaalsContact C-N 3.32Å; Q664-E666 PolarHBondContact O-N 3.45Å; E666-V670 WeakPolarHBondContact O-CG2 3.39Å
667	K	53.6	Low	52.2	Low	159 Å²	159	110.5 Å²	110.5	69%	0.691	62%	0.618	S	S	*	*	H	α-helix	trans	-79.4	-33.8	175.9	-79.3	-178	178.6	174.5	0	113.5	E663 Q664 G669	E663-K667 PolarHBondContact O-N 3.03Å; Q664-K667 PolarHBondContact O-N 3.24Å; K667-G669 VanDerWaalsContact C-N 3.32Å
668	D	52.4	Low	51.9	Low	120 Å²	120	113.6 Å²	113.6	64%	0.642	63%	0.631	S	S	*	*	H	α-helix	trans	-78.8	-18	177.6	-66.5	-20.8	0	0	0	112.4	Q664	Q664-D668 PolarHBondContact O-N 3.03Å
669	G	51.8	Low	51.6	Low	46 Å²	46	117.5 Å²	117.5	47%	0.474	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	-6.9	177.2	0	0	0	0	0	116	T665 K667	T665-G669 PolarHBondContact O-N 3.31Å; K667-G669 VanDerWaalsContact C-N 3.32Å
670	V	52	Low	51.2	Low	115 Å²	115	121.1 Å²	121.1	70%	0.697	66%	0.664	S	S	*	*	S	Bend	trans	-104.3	0.6	-176	178.6	0	0	0	0	112.7	E666	E666-V670 WeakPolarHBondContact O-CG2 3.39Å
671	Q	47	Very low	50.9	Low	178 Å²	178	122.8 Å²	122.8	83%	0.832	68%	0.675	S	S	*	*	S	Bend	trans	-101.7	10.1	174.4	-92.7	-176.4	-19.1	0	0	114.8
672	T	44.6	Very low	50.6	Low	120 Å²	120	124.1 Å²	124.1	74%	0.736	68%	0.683	S	S	*	*			trans	-136.4	71.9	175.2	54.2	0	0	0	0	110.8
673	S	38.5	Very low	50.2	Low	180 Å²	180	125.4 Å²	125.4	100%	1.259	69%	0.693	S	S	*	*			trans	-159.2	0	160.3	67.3	0	0	0	0	110.4

Retrieved 673 of 673 residues in 2677.8 ms (Link to these results)

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