A0A096N2Z8_PAPAN Loading...

Arginyl aminopeptidase like 1

AlphaFold DB , UniProt , Accession A0A096N2Z8, Species PAPAN (Papio anubis, Olive baboon), Gene RNPEPL1, Length 724 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	38.8	Very low	31.1	Very low	245 Å²	245	151.5 Å²	151.5	100%	1.207	88%	0.878	S	S	*	*				0	149.7	0	-82.1	-170.2	-155	0	0	108.3
2	A	32.5	Very low	31.1	Very low	110 Å²	110	145.1 Å²	145.1	91%	0.909	87%	0.868	S	S	*	*			trans	84.1	115	-168.8	0	0	0	0	0	114.7
3	A	28.8	Very low	31.2	Very low	88 Å²	88	141.7 Å²	141.7	73%	0.727	87%	0.866	S	S	*	*			trans	-109.6	159.8	-170.5	0	0	0	0	0	111.5
4	Q	29.3	Very low	31.5	Very low	192 Å²	192	145.6 Å²	145.6	90%	0.897	87%	0.869	S	S	*	*			trans	42.6	119.9	146.8	-73.6	172.9	-22.5	0	0	120.1
5	C	27.3	Very low	31.8	Very low	113 Å²	113	145.1 Å²	145.1	76%	0.764	87%	0.868	S	S	*	*				-167.7	123.8	120.2	-148.2	0	0	0	0	110.6
6	C	29.1	Very low	32.1	Very low	135 Å²	135	141.1 Å²	141.1	91%	0.912	86%	0.856	S	S	*	*			trans	-165.7	105.3	149.3	-105.7	0	0	0	0	108.7
7	C	31.3	Very low	32.4	Very low	118 Å²	118	140.2 Å²	140.2	80%	0.797	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-64.3	137	178.7	-62.9	0	0	0	0	111.6
8	R	30.4	Very low	32.6	Very low	252 Å²	252	140.1 Å²	140.1	95%	0.951	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-71	126.8	166.8	-75.5	178	171.3	179.9	-3.7	109.4
9	Q	30.3	Very low	32.7	Very low	194 Å²	194	144.7 Å²	144.7	91%	0.907	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-71.4	136.9	166.9	-78.7	178	-21.9	0	0	110.2
10	A	31.1	Very low	32.8	Very low	90 Å²	90	142.8 Å²	142.8	74%	0.744	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-76.6	150.5	173.1	0	0	0	0	0	111
11	P	33.4	Very low	32.9	Very low	130 Å²	130	141.3 Å²	141.3	84%	0.844	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-70.5	139.1	177.2	28.5	-31.3	0	0	0	111.1
12	G	31.2	Very low	32.8	Very low	74 Å²	74	135.5 Å²	135.5	76%	0.763	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-62.8	144.6	-170.8	0	0	0	0	0	114.4	E14	G12-E14 PolarHBondContact O-N 2.84Å
13	A	32.6	Very low	33.4	Very low	101 Å²	101	139 Å²	139	84%	0.835	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-65.3	123	170.3	0	0	0	0	0	110.2	T15	A13-T15 PolarHBondContact O-N 3.42Å
14	E	34.6	Very low	34.2	Very low	196 Å²	196	140 Å²	140	92%	0.916	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-59.3	119.3	165.9	-77.5	176.7	152	0	0	109	G12 A16	G12-E14 PolarHBondContact O-N 2.84Å; E14-A16 PolarHBondContact O-N 3.21Å
15	T	36.2	Very low	35.3	Very low	138 Å²	138	136.4 Å²	136.4	85%	0.847	81%	0.81	S	S	*	*			trans	-71.9	114.4	171.7	35.9	0	0	0	0	107.8	A13	A13-T15 PolarHBondContact O-N 3.42Å
16	A	36.5	Very low	37	Very low	82 Å²	82	135.3 Å²	135.3	68%	0.678	80%	0.801	S	S	*	*			trans	-55.3	141.4	172.6	0	0	0	0	0	109.8	E14 V18	E14-A16 PolarHBondContact O-N 3.21Å; A16-V18 PolarHBondContact O-N 3.14Å; A16-V18 VanDerWaalsContact O-N 3.09Å
17	P	37.1	Very low	38.9	Very low	125 Å²	125	131.1 Å²	131.1	81%	0.812	78%	0.776	S	S	*	*			trans	-58.8	120.7	178.1	23.2	-31.1	0	0	0	108.9	R19	P17-R19 PolarHBondContact O-N 2.99Å
18	V	35.8	Very low	41.4	Very low	138 Å²	138	132.2 Å²	132.2	84%	0.836	77%	0.773	S	S	*	*			trans	-56.6	111.5	172.1	175.4	0	0	0	0	106.6	A16	A16-V18 PolarHBondContact O-N 3.14Å; A16-V18 VanDerWaalsContact O-N 3.09Å
19	R	35.1	Very low	44.4	Very low	228 Å²	228	120.8 Å²	120.8	86%	0.86	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-54.1	130.1	171.4	-113.2	179.6	-179	173.7	-0.3	106.8	P17	P17-R19 PolarHBondContact O-N 2.99Å
20	P	35.6	Very low	47.3	Very low	106 Å²	106	113.3 Å²	113.3	69%	0.688	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-53.2	142	170.8	22.5	-30.7	0	0	0	108.1
21	P	34.3	Very low	50.4	Low	112 Å²	112	109 Å²	109	73%	0.727	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-52.1	143.3	175	22.5	-31.5	0	0	0	108.9	E23	P21-E23 PolarHBondContact O-N 3.19Å
22	P	36	Very low	53.3	Low	123 Å²	123	103.7 Å²	103.7	80%	0.799	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-54.7	129.9	175.5	23.3	-31.4	0	0	0	108.5
23	E	45.8	Very low	56.3	Low	183 Å²	183	101.5 Å²	101.5	86%	0.855	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-52	134.1	171.9	-75.8	176.1	168.7	0	0	108.3	P21	P21-E23 PolarHBondContact O-N 3.19Å
24	P	45.3	Very low	59.3	Low	109 Å²	109	97.3 Å²	97.3	71%	0.708	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-54.5	145.2	173.4	22.8	-30.8	0	0	0	109
25	P	52.5	Low	62.3	Low	117 Å²	117	88.3 Å²	88.3	76%	0.76	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-56	136	176.5	24.5	-32.2	0	0	0	108.6	A27	P25-A27 PolarHBondContact O-N 3.21Å
26	P	62.2	Low	65	Low	91 Å²	91	82.5 Å²	82.5	59%	0.591	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-55.1	144.8	177.1	20.9	-30.4	0	0	0	109.6	L28	P26-L28 PolarHBondContact O-N 2.75Å
27	A	70.7	Confident	67.6	Low	46 Å²	46	83.5 Å²	83.5	38%	0.38	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-51.9	131.1	176.1	0	0	0	0	0	109.6	P25 D29 T367 V478	P25-A27 PolarHBondContact O-N 3.21Å; A27-D29 PolarHBondContact O-N 2.71Å; A27-T367 HydrophobicContact CB-CG2 3.7Å; A27-V478 HydrophobicContact CB-CG1 4.1Å
28	L	84	Confident	70.3	Confident	142 Å²	142	79.5 Å²	79.5	74%	0.743	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-74.5	118.6	-178.9	-176.9	69.9	0	0	0	109	P26 V30	P26-L28 PolarHBondContact O-N 2.75Å; L28-V30 PolarHBondContact O-N 2.77Å
29	D	91.8	Very high	73.1	Confident	12 Å²	12	73.3 Å²	73.3	6%	0.064	42%	0.417	C	S	.	.			trans	-87	105.2	173.4	-175.8	1	0	0	0	110.3	A27 A31 S32 T210 P211 T367	A27-D29 PolarHBondContact O-N 2.71Å; D29-A31 PolarHBondContact O-N 3.45Å; D29-A31 VanDerWaalsContact OD1-CB 3.27Å; D29-A31 WeakPolarHBondContact OD1-CB 3.33Å; D29-A31 PolarHBondContact OD1-N 2.84Å; D29-S32 PolarHBondContact O-N 2.86Å; D29-T210 WeakPolarHBondContact CB-OG1 3.41Å; D29-T210 WeakPolarHBondContact OD2-CB 3.4Å; D29-T210 PolarHBondContact OD2-OG1 3.21Å; D29-P211 WeakPolarHBondContact OD2-CD 3.43Å; D29-T367 HydrophobicContact CB-CG2 4.25Å
30	V	92.8	Very high	76	Confident	37 Å²	37	70.6 Å²	70.6	22%	0.224	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-12.4	179.5	-61.3	0	0	0	0	113.4	L28 S32 L426 P428	L28-V30 PolarHBondContact O-N 2.77Å; V30-S32 VanDerWaalsContact C-N 3.31Å; V30-L426 HydrophobicContact CG2-CB 3.55Å; V30-L426 WeakPolarHBondContact CG2-O 3.3Å; V30-P428 HydrophobicContact CG1-CG 4.49Å
31	A	94.4	Very high	78.9	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.3	177	0	0	0	0	0	113.6	D29 F141 V199 R202 P432	D29-A31 PolarHBondContact O-N 3.45Å; D29-A31 VanDerWaalsContact OD1-CB 3.27Å; D29-A31 WeakPolarHBondContact OD1-CB 3.33Å; D29-A31 PolarHBondContact OD1-N 2.84Å; A31-F141 WeakPolarHBondContact O-CE1 3.28Å; A31-V199 HydrophobicContact CB-CG1 4.22Å; A31-R202 PolarHBondContact O-NH1 2.77Å; A31-R202 PolarHBondContact O-NH2 2.79Å; A31-P432 HydrophobicContact CB-CG 3.37Å
32	S	95.4	Very high	81.7	Confident	17 Å²	17	67.2 Å²	67.2	12%	0.119	37%	0.367	C	S	.	.			trans	-116	132.1	178.9	177.9	0	0	0	0	110.4	D29 V30 S34 D78	D29-S32 PolarHBondContact O-N 2.86Å; V30-S32 VanDerWaalsContact C-N 3.31Å; S32-S34 WeakPolarHBondContact OG-CB 3.35Å; S32-S34 PolarHBondContact OG-N 2.86Å; S32-S34 VanDerWaalsContact OG-N 3.13Å; S32-S34 PolarHBondContact OG-OG 3.29Å; S32-D78 WeakPolarHBondContact CA-OD1 3.36Å; S32-D78 WeakPolarHBondContact CB-OD2 3.36Å; S32-D78 PolarHBondContact OG-OD1 3.04Å; S32-D78 PolarHBondContact OG-OD2 2.87Å
33	A	94.8	Very high	84.6	Confident	29 Å²	29	62.4 Å²	62.4	24%	0.24	33%	0.334	C	S	.	.			trans	-84.2	-3.2	170.3	0	0	0	0	0	112.1	V76 D78 F141	A33-V76 VanDerWaalsContact O-CG1 3.25Å; A33-V76 WeakPolarHBondContact O-CG1 3.36Å; A33-D78 PolarHBondContact N-OD1 2.82Å; A33-F141 HydrophobicContact CB-CB 4.32Å; A33-F141 HydrophobicContact CB-CD1 3.97Å; A33-F141 HydrophobicContact CB-CD2 3.64Å; A33-F141 HydrophobicContact CB-CE1 4.17Å; A33-F141 HydrophobicContact CB-CE2 3.85Å; A33-F141 HydrophobicContact CB-CG 3.7Å; A33-F141 HydrophobicContact CB-CZ 4.11Å
34	S	95.6	Very high	86.9	Confident	12 Å²	12	53.9 Å²	53.9	8%	0.084	29%	0.294	C	S	.	.			trans	-74.4	159.9	-164.1	81.3	0	0	0	0	113.4	S32 A36 Q37 V76 D78 F208	S32-S34 WeakPolarHBondContact OG-CB 3.35Å; S32-S34 PolarHBondContact OG-N 2.86Å; S32-S34 VanDerWaalsContact OG-N 3.13Å; S32-S34 PolarHBondContact OG-OG 3.29Å; S34-A36 VanDerWaalsContact C-N 3.28Å; S34-A36 PolarHBondContact O-N 2.77Å; S34-Q37 PolarHBondContact O-OE1 2.9Å; S34-V76 WeakPolarHBondContact CA-O 3.35Å; S34-V76 WeakPolarHBondContact CB-O 3.46Å; S34-D78 WeakPolarHBondContact CB-OD2 3.31Å; S34-F208 WeakPolarHBondContact OG-CD1 3.46Å
35	S	95.7	Very high	89.4	Confident	7 Å²	7	49.2 Å²	49.2	5%	0.049	26%	0.263	C	S	.	.			trans	-94.1	32.5	178.5	65.4	0	0	0	0	112.4	Q37 L38 F39 V76	S35-Q37 VanDerWaalsContact CA-OE1 3.28Å; S35-Q37 PolarHBondContact O-N 3.48Å; S35-Q37 PolarHBondContact O-OE1 3.15Å; S35-L38 WeakPolarHBondContact O-CB 3.16Å; S35-L38 PolarHBondContact O-N 3.25Å; S35-F39 WeakPolarHBondContact O-CD2 3.37Å; S35-F39 WeakPolarHBondContact OG-CE2 3.48Å; S35-V76 PolarHBondContact N-O 2.9Å; S35-V76 PolarHBondContact OG-N 2.76Å; S35-V76 PolarHBondContact OG-O 2.79Å
36	A	93.3	Very high	91.6	Very high	16 Å²	16	43.6 Å²	43.6	13%	0.132	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-50.1	-39.7	-175.8	0	0	0	0	0	113.6	S34 L38 F39 F208 T210 V213	S34-A36 VanDerWaalsContact C-N 3.28Å; S34-A36 PolarHBondContact O-N 2.77Å; A36-L38 PolarHBondContact O-N 2.84Å; A36-F39 PolarHBondContact O-N 2.7Å; A36-F39 VanDerWaalsContact O-N 3.1Å; A36-F208 HydrophobicContact CB-CB 4.3Å; A36-F208 HydrophobicContact CB-CD1 3.9Å; A36-F208 HydrophobicContact CB-CE1 4.34Å; A36-F208 HydrophobicContact CB-CG 4.04Å; A36-T210 HydrophobicContact CB-CG2 4.43Å; A36-V213 HydrophobicContact CB-CG2 3.55Å
37	Q	92.1	Very high	93.3	Very high	104 Å²	104	39.3 Å²	39.3	49%	0.486	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-61.8	-11.4	176.4	75.6	-75.1	20.1	0	0	115.1	S34 S35	S34-Q37 PolarHBondContact O-OE1 2.9Å; S35-Q37 VanDerWaalsContact CA-OE1 3.28Å; S35-Q37 PolarHBondContact O-N 3.48Å; S35-Q37 PolarHBondContact O-OE1 3.15Å
38	L	93.8	Very high	94.6	Very high	40 Å²	40	37.1 Å²	37.1	21%	0.209	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-99.3	-12.7	177.9	-55.8	-174.5	0	0	0	113.1	S35 A36 L68	S35-L38 WeakPolarHBondContact O-CB 3.16Å; S35-L38 PolarHBondContact O-N 3.25Å; A36-L38 PolarHBondContact O-N 2.84Å; L38-L68 PolarHBondContact O-N 3.26Å
39	F	95.1	Very high	95.2	Very high	9 Å²	9	31.1 Å²	31.1	4%	0.039	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.3	-171.2	-59.2	-83.4	0	0	0	111.7	S35 A36 L65 C66 A67 P72 A74 L75 L152 F162 F208	S35-F39 WeakPolarHBondContact O-CD2 3.37Å; S35-F39 WeakPolarHBondContact OG-CE2 3.48Å; A36-F39 PolarHBondContact O-N 2.7Å; A36-F39 VanDerWaalsContact O-N 3.1Å; F39-L65 HydrophobicContact CB-CD2 4.17Å; F39-C66 CarbonylContact C-O 3.59Å; F39-C66 VanDerWaalsContact CA-O 3.32Å; F39-C66 WeakPolarHBondContact CA-O 3.4Å; F39-A67 HydrophobicContact CD1-CB 4.45Å; F39-A67 HydrophobicContact CE1-CB 4.42Å; F39-P72 HydrophobicContact CE1-CB 4.06Å; F39-P72 HydrophobicContact CE1-CG 3.74Å; F39-P72 HydrophobicContact CZ-CB 3.73Å; F39-P72 HydrophobicContact CZ-CG 3.95Å; F39-A74 WeakPolarHBondContact CZ-O 3.38Å; F39-L75 HydrophobicContact CD2-CD1 3.74Å; F39-L75 HydrophobicContact CE2-CB 4.3Å; F39-L75 HydrophobicContact CE2-CD1 3.76Å; F39-L75 HydrophobicContact CG-CD1 4.27Å; F39-L75 HydrophobicContact CZ-CB 4.25Å; F39-L75 HydrophobicContact CZ-CD1 4.29Å; F39-L152 HydrophobicContact CE1-CD1 3.61Å; F39-L152 HydrophobicContact CZ-CD1 3.48Å; F39-L152 VanDerWaalsContact CZ-CD1 3.48Å; F39-F162 HydrophobicContact CD1-CZ 4.01Å; F39-F162 AromaticContact CE1-CZ 3.88Å; F39-F162 HydrophobicContact CE1-CZ 3.88Å; F39-F208 HydrophobicContact CB-CE2 4.38Å; F39-F208 HydrophobicContact CB-CZ 4.06Å; F39-F208 HydrophobicContact CD2-CZ 4.2Å; F39-F208 HydrophobicContact CG-CZ 4.44Å
40	R	94.9	Very high	95.4	Very high	170 Å²	170	31 Å²	31	64%	0.642	15%	0.148	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.5	162.9	-177.5	175.9	-178.8	169.1	2.2	108.5	L65 C66 L68	R40-L65 WeakPolarHBondContact O-CA 3.34Å; R40-C66 HydrophobicContact CB-CB 4.32Å; R40-C66 PolarHBondContact N-O 2.77Å; R40-C66 PolarHBondContact O-N 3.34Å; R40-L68 HydrophobicContact CB-CD2 4.06Å
41	L	95.9	Very high	95.4	Very high	19 Å²	19	31 Å²	31	10%	0.099	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	117.2	168.7	-177.2	60.1	0	0	0	109	L63 L65 F208 V213 C215	L41-L63 HydrophobicContact CD1-CB 4.21Å; L41-L63 HydrophobicContact CD1-CD2 3.93Å; L41-L65 HydrophobicContact CB-CD2 4.24Å; L41-L65 HydrophobicContact CD1-CD2 3.8Å; L41-L65 HydrophobicContact CD1-CG 4.49Å; L41-F208 HydrophobicContact CB-CD2 4.13Å; L41-F208 HydrophobicContact CB-CE2 4.13Å; L41-F208 HydrophobicContact CD2-CD2 4.07Å; L41-V213 HydrophobicContact CB-CG1 4.27Å; L41-V213 HydrophobicContact CD2-CG1 4.22Å; L41-C215 HydrophobicContact CB-CB 4.43Å; L41-C215 HydrophobicContact CD2-CB 3.85Å; L41-C215 WeakPolarHBondContact CD2-SG 3.35Å; L41-C215 HydrophobicContact CG-CB 3.77Å
42	R	94.1	Very high	95.2	Very high	128 Å²	128	32.1 Å²	32.1	48%	0.483	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-43.6	-178.6	-66.9	-174.5	62.7	-178.6	-2.9	112	E64 T216	R42-E64 HydrophobicContact CB-CB 4.24Å; R42-E64 PolarHBondContact N-O 3.1Å; R42-T216 PolarHBondContact O-OG1 2.96Å
43	H	96.4	Very high	94.8	Very high	22 Å²	22	41.1 Å²	41.1	10%	0.102	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	150.4	-177.2	-165.9	67.3	0	0	0	110	E64 T216 Y217 S218 H248	H43-E64 HydrophobicContact CB-CB 4.19Å; H43-E64 HydrophobicContact CB-CG 4.19Å; H43-E64 PolarHBondContact O-N 3.06Å; H43-T216 WeakPolarHBondContact CA-O 3.33Å; H43-T216 VanDerWaalsContact ND1-C 3.34Å; H43-T216 PolarHBondContact ND1-O 2.87Å; H43-T216 VanDerWaalsContact ND1-O 3.09Å; H43-T216 PolarHBondContact ND1-OG1 3.12Å; H43-Y217 VanDerWaalsContact CE1-CA 3.41Å; H43-Y217 WeakPolarHBondContact CE1-CA 3.42Å; H43-S218 PolarHBondContact NE2-N 3.27Å; H43-S218 PolarHBondContact NE2-OG 3.3Å; H43-H248 AromaticContact CE1-CE1 3.97Å
44	L	94.8	Very high	94.6	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.6	176.1	174.7	139	0	0	0	109.6	L46 L61 L63 F205 T216 Y217 S218	L44-L46 HydrophobicContact CD2-CD1 3.73Å; L44-L46 HydrophobicContact CD2-CD2 4.21Å; L44-L46 HydrophobicContact CD2-CG 3.59Å; L44-L61 HydrophobicContact CD1-CD1 3.55Å; L44-L61 HydrophobicContact CD2-CD1 4.28Å; L44-L61 HydrophobicContact CG-CD1 3.58Å; L44-L63 HydrophobicContact CD1-CD2 3.8Å; L44-L63 HydrophobicContact CG-CD2 4.41Å; L44-F205 HydrophobicContact CD1-CD2 4.03Å; L44-F205 HydrophobicContact CD1-CE2 3.5Å; L44-F205 VanDerWaalsContact CD1-CE2 3.5Å; L44-F205 HydrophobicContact CD1-CZ 4.34Å; L44-F205 HydrophobicContact CD2-CE2 4.42Å; L44-T216 PolarHBondContact N-O 3.46Å; L44-T216 VanDerWaalsContact N-O 3.08Å; L44-Y217 HydrophobicContact CD2-CG 4.48Å; L44-Y217 CarbonylContact O-C 3.13Å; L44-Y217 WeakPolarHBondContact O-CA 3.23Å; L44-Y217 WeakPolarHBondContact O-CB 3.4Å; L44-S218 PolarHBondContact O-N 2.97Å
45	Q	98.1	Very high	94.5	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.047	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.1	175.8	-46.3	-178.7	4.2	0	0	110.2	L61 V62 E64 F103 S218	Q45-L61 CarbonylContact O-C 3.33Å; Q45-L61 WeakPolarHBondContact O-CA 3.34Å; Q45-V62 HydrophobicContact CB-CB 4.1Å; Q45-V62 HydrophobicContact CG-CB 4.46Å; Q45-V62 PolarHBondContact N-O 3.33Å; Q45-V62 PolarHBondContact O-N 3.21Å; Q45-E64 PolarHBondContact NE2-OE1 3.28Å; Q45-F103 HydrophobicContact CB-CZ 4.41Å; Q45-S218 CarbonylContact C-O 3.55Å; Q45-S218 WeakPolarHBondContact CA-O 3.33Å
46	L	97.9	Very high	94.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.2	179.7	-68.9	169.3	0	0	0	111.2	L44 L48 L61 F103 F205 S218 A219 V220 V258	L44-L46 HydrophobicContact CD2-CD1 3.73Å; L44-L46 HydrophobicContact CD2-CD2 4.21Å; L44-L46 HydrophobicContact CD2-CG 3.59Å; L46-L48 HydrophobicContact CB-CD1 4.48Å; L46-L48 HydrophobicContact CB-CD2 4.46Å; L46-L48 HydrophobicContact CB-CG 4.22Å; L46-L61 HydrophobicContact CD2-CB 4.29Å; L46-L61 HydrophobicContact CD2-CD1 3.74Å; L46-F103 VanDerWaalsContact C-CZ 3.45Å; L46-F205 HydrophobicContact CD1-CD1 4.3Å; L46-F205 HydrophobicContact CD1-CE1 4.34Å; L46-F205 HydrophobicContact CD2-CB 4.07Å; L46-F205 HydrophobicContact CD2-CD1 4.34Å; L46-F205 HydrophobicContact CD2-CD2 4.36Å; L46-F205 HydrophobicContact CD2-CG 4.02Å; L46-S218 PolarHBondContact N-O 3.05Å; L46-A219 HydrophobicContact CB-CB 4.02Å; L46-A219 CarbonylContact O-C 3.6Å; L46-A219 WeakPolarHBondContact O-CA 3.44Å; L46-V220 PolarHBondContact O-N 3Å; L46-V258 HydrophobicContact CD1-CG1 4.12Å
47	G	97.7	Very high	94.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	115.8	165.2	0	0	0	0	0	108.8	G59 C60 F103 V220	G47-G59 CarbonylContact O-C 3.5Å; G47-G59 WeakPolarHBondContact O-CA 3.33Å; G47-C60 PolarHBondContact N-O 2.81Å; G47-C60 PolarHBondContact O-N 2.98Å; G47-F103 VanDerWaalsContact CA-CZ 3.43Å; G47-V220 CarbonylContact C-O 3.58Å; G47-V220 WeakPolarHBondContact CA-O 3.33Å
48	L	97.7	Very high	94.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.3	-172.2	-59.1	179.9	0	0	0	110.4	L46 L57 A58 F105 F204 V220 V221 K222 L260	L46-L48 HydrophobicContact CB-CD1 4.48Å; L46-L48 HydrophobicContact CB-CD2 4.46Å; L46-L48 HydrophobicContact CB-CG 4.22Å; L48-L57 HydrophobicContact CB-CD1 4.12Å; L48-L57 HydrophobicContact CD2-CD1 4.26Å; L48-L57 HydrophobicContact CD2-CD2 4.24Å; L48-L57 HydrophobicContact CD2-CG 4.38Å; L48-A58 CarbonylContact C-O 3.57Å; L48-A58 WeakPolarHBondContact CA-O 3.45Å; L48-F105 WeakPolarHBondContact O-CE1 3.33Å; L48-F204 HydrophobicContact CD1-CE2 3.97Å; L48-F204 HydrophobicContact CD1-CZ 3.75Å; L48-V220 PolarHBondContact N-O 3.2Å; L48-V221 HydrophobicContact CB-CB 4.49Å; L48-V221 HydrophobicContact CB-CG1 4.17Å; L48-V221 HydrophobicContact CB-CG2 4.21Å; L48-V221 HydrophobicContact CD1-CG2 4.21Å; L48-V221 CarbonylContact O-C 3.54Å; L48-V221 WeakPolarHBondContact O-CA 3.44Å; L48-K222 PolarHBondContact O-N 3.36Å; L48-L260 HydrophobicContact CD1-CD1 3.81Å
49	E	96.9	Very high	95	Very high	16 Å²	16	39.9 Å²	39.9	8%	0.075	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116.4	167.5	-178.7	177.8	-135.2	0	0	108.9	R51 A58 F105 P119 K222	E49-R51 HydrophobicContact CG-CG 4.28Å; E49-R51 IonicContact OE2-CZ 3.36Å; E49-R51 IonicContact OE2-NE 3.12Å; E49-R51 PolarHBondContact OE2-NE 2.63Å; E49-R51 VanDerWaalsContact OE2-NE 3.12Å; E49-R51 IonicContact OE2-NH2 2.75Å; E49-R51 PolarHBondContact OE2-NH2 3.39Å; E49-A58 HydrophobicContact CB-CB 4.31Å; E49-A58 PolarHBondContact N-O 2.91Å; E49-A58 PolarHBondContact O-N 3.12Å; E49-F105 HydrophobicContact CB-CD1 4.2Å; E49-F105 HydrophobicContact CB-CE1 4.05Å; E49-P119 HydrophobicContact CB-CG 4.05Å; E49-K222 WeakPolarHBondContact CA-O 3.45Å; E49-K222 HydrophobicContact CB-CB 4.43Å; E49-K222 HydrophobicContact CG-CB 4.34Å; E49-K222 HydrophobicContact CG-CD 4.26Å; E49-K222 HydrophobicContact CG-CG 4.44Å; E49-K222 WeakPolarHBondContact OE1-CE 3.46Å; E49-K222 IonicContact OE1-NZ 2.84Å; E49-K222 PolarHBondContact OE1-NZ 3.21Å
50	L	95.2	Very high	95.1	Very high	9 Å²	9	39.5 Å²	39.5	5%	0.047	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.1	176.1	-64.3	173.9	0	0	0	109.7	P52 L57 W178 V192 V221 K222 A223 V229 L260 A262	L50-P52 WeakPolarHBondContact O-CD 3.4Å; L50-L57 HydrophobicContact CD2-CD1 3.5Å; L50-L57 VanDerWaalsContact CD2-CD1 3.5Å; L50-L57 HydrophobicContact CG-CD1 4.43Å; L50-W178 HydrophobicContact CD2-CH2 4.23Å; L50-V192 HydrophobicContact CD1-CG1 4.34Å; L50-V192 HydrophobicContact CD2-CG1 4.26Å; L50-V221 HydrophobicContact CD1-CG1 4.04Å; L50-V221 HydrophobicContact CG-CG1 4.08Å; L50-K222 PolarHBondContact N-O 2.95Å; L50-A223 HydrophobicContact CD1-CB 4.07Å; L50-V229 HydrophobicContact CD1-CG2 4.11Å; L50-L260 HydrophobicContact CD1-CD2 4.33Å; L50-L260 HydrophobicContact CD2-CD2 4.14Å; L50-A262 HydrophobicContact CD1-CB 3.52Å
51	R	94.1	Very high	95.3	Very high	37 Å²	37	31.4 Å²	31.4	14%	0.14	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	73.2	176.9	-55.3	171.1	179.9	-176.2	-6	109.7	E49 E53 A54 R55 E56 P116	E49-R51 HydrophobicContact CG-CG 4.28Å; E49-R51 IonicContact OE2-CZ 3.36Å; E49-R51 IonicContact OE2-NE 3.12Å; E49-R51 PolarHBondContact OE2-NE 2.63Å; E49-R51 VanDerWaalsContact OE2-NE 3.12Å; E49-R51 IonicContact OE2-NH2 2.75Å; E49-R51 PolarHBondContact OE2-NH2 3.39Å; R51-E53 VanDerWaalsContact C-N 3.31Å; R51-E53 PolarHBondContact O-N 3.45Å; R51-A54 HydrophobicContact CB-CB 4.37Å; R51-A54 PolarHBondContact O-N 2.97Å; R51-R55 PolarHBondContact O-N 3.23Å; R51-R55 VanDerWaalsContact O-N 3.12Å; R51-E56 WeakPolarHBondContact CA-O 3.33Å; R51-E56 HydrophobicContact CB-CB 4.29Å; R51-E56 WeakPolarHBondContact CB-O 3.33Å; R51-E56 WeakPolarHBondContact CD-OE1 3.38Å; R51-E56 IonicContact CZ-OE1 3.63Å; R51-E56 PolarHBondContact N-O 2.91Å; R51-E56 IonicContact NE-OE1 3.88Å; R51-E56 IonicContact NH1-OE1 2.71Å; R51-E56 PolarHBondContact NH1-OE1 2.89Å; R51-E56 PolarHBondContact O-N 3.22Å; R51-P116 PolarHBondContact NH2-O 3.27Å
52	P	89.3	Confident	95.4	Very high	25 Å²	25	30.5 Å²	30.5	16%	0.162	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-58.8	-36.6	-172	-24	34.2	0	0	0	114.5	L50 A54 R55 W178 P190 P224	L50-P52 WeakPolarHBondContact O-CD 3.4Å; P52-A54 PolarHBondContact O-N 3.4Å; P52-R55 PolarHBondContact O-N 3.3Å; P52-W178 HydrophobicContact CB-CE3 4.47Å; P52-W178 HydrophobicContact CB-CZ3 4.08Å; P52-W178 HydrophobicContact CG-CZ3 4.18Å; P52-P190 HydrophobicContact CB-CB 4.14Å; P52-P190 HydrophobicContact CB-CG 4.02Å; P52-P224 HydrophobicContact CG-CG 4.02Å
53	E	87.3	Confident	95.5	Very high	206 Å²	206	24.5 Å²	24.5	96%	0.963	12%	0.123	S	C	*	.	G	3₁₀ helix	trans	-61.5	-31.3	177.9	-63.7	-177.7	177	0	0	112.9	R51	R51-E53 VanDerWaalsContact C-N 3.31Å; R51-E53 PolarHBondContact O-N 3.45Å
54	A	91.1	Very high	95.5	Very high	64 Å²	64	25.7 Å²	25.7	53%	0.529	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-96.3	-1.9	177.6	0	0	0	0	0	113	R51 P52 E56	R51-A54 HydrophobicContact CB-CB 4.37Å; R51-A54 PolarHBondContact O-N 2.97Å; P52-A54 PolarHBondContact O-N 3.4Å; A54-E56 HydrophobicContact CB-CB 4.03Å; A54-E56 PolarHBondContact O-N 2.67Å
55	R	93.4	Very high	95.6	Very high	69 Å²	69	25.5 Å²	25.5	26%	0.26	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	43.7	-167.5	-60.4	-173.9	177.7	-172	-0.8	112.3	R51 P52 T171 D172 W178 D180	R51-R55 PolarHBondContact O-N 3.23Å; R51-R55 VanDerWaalsContact O-N 3.12Å; P52-R55 PolarHBondContact O-N 3.3Å; R55-T171 VanDerWaalsContact O-CA 3.29Å; R55-T171 WeakPolarHBondContact O-CA 3.43Å; R55-D172 IonicContact NH1-OD2 3.17Å; R55-D172 PolarHBondContact NH1-OD2 3.3Å; R55-W178 VanDerWaalsContact C-CE2 3.46Å; R55-W178 HydrophobicContact CB-CB 4.26Å; R55-W178 HydrophobicContact CB-CD2 4.03Å; R55-W178 HydrophobicContact CB-CG 3.83Å; R55-W178 HydrophobicContact CG-CB 3.95Å; R55-W178 HydrophobicContact CG-CD2 4.39Å; R55-W178 HydrophobicContact CG-CG 4.04Å; R55-W178 PolarHBondContact O-NE1 2.82Å; R55-D180 IonicContact CZ-OD1 3.72Å; R55-D180 IonicContact CZ-OD2 3.99Å; R55-D180 IonicContact NE-OD1 3.8Å; R55-D180 IonicContact NH2-OD1 2.77Å; R55-D180 PolarHBondContact NH2-OD1 2.86Å; R55-D180 IonicContact NH2-OD2 2.7Å; R55-D180 PolarHBondContact NH2-OD2 2.83Å
56	E	95.4	Very high	95.4	Very high	46 Å²	46	25.5 Å²	25.5	22%	0.215	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.8	-174.4	-171.2	-175.8	93.4	0	0	110.6	R51 A54 T169 S170 T171 W178	R51-E56 WeakPolarHBondContact CA-O 3.33Å; R51-E56 HydrophobicContact CB-CB 4.29Å; R51-E56 WeakPolarHBondContact CB-O 3.33Å; R51-E56 WeakPolarHBondContact CD-OE1 3.38Å; R51-E56 IonicContact CZ-OE1 3.63Å; R51-E56 PolarHBondContact N-O 2.91Å; R51-E56 IonicContact NE-OE1 3.88Å; R51-E56 IonicContact NH1-OE1 2.71Å; R51-E56 PolarHBondContact NH1-OE1 2.89Å; R51-E56 PolarHBondContact O-N 3.22Å; A54-E56 HydrophobicContact CB-CB 4.03Å; A54-E56 PolarHBondContact O-N 2.67Å; E56-T169 HydrophobicContact CG-CG2 4.37Å; E56-S170 WeakPolarHBondContact CA-O 3.29Å; E56-T171 HydrophobicContact CG-CG2 4.47Å; E56-W178 VanDerWaalsContact C-CZ2 3.46Å; E56-W178 WeakPolarHBondContact O-CH2 3.45Å
57	L	96.6	Very high	95.2	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.2	168.6	177.5	79.7	0	0	0	108.1	L48 L50 T169 S170 I176 W178 F204	L48-L57 HydrophobicContact CB-CD1 4.12Å; L48-L57 HydrophobicContact CD2-CD1 4.26Å; L48-L57 HydrophobicContact CD2-CD2 4.24Å; L48-L57 HydrophobicContact CD2-CG 4.38Å; L50-L57 HydrophobicContact CD2-CD1 3.5Å; L50-L57 VanDerWaalsContact CD2-CD1 3.5Å; L50-L57 HydrophobicContact CG-CD1 4.43Å; L57-T169 CarbonylContact O-C 3.48Å; L57-T169 WeakPolarHBondContact O-CA 3.47Å; L57-S170 PolarHBondContact N-O 3.41Å; L57-S170 PolarHBondContact O-N 2.83Å; L57-I176 HydrophobicContact CB-CD1 4.26Å; L57-I176 HydrophobicContact CD2-CD1 3.81Å; L57-W178 HydrophobicContact CB-CZ2 4.24Å; L57-F204 HydrophobicContact CD2-CD2 3.44Å; L57-F204 VanDerWaalsContact CD2-CD2 3.44Å; L57-F204 HydrophobicContact CD2-CE2 3.37Å
58	A	97.1	Very high	94.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.9	170.3	0	0	0	0	0	109.7	L48 E49 L118 T169	L48-A58 CarbonylContact C-O 3.57Å; L48-A58 WeakPolarHBondContact CA-O 3.45Å; E49-A58 HydrophobicContact CB-CB 4.31Å; E49-A58 PolarHBondContact N-O 2.91Å; E49-A58 PolarHBondContact O-N 3.12Å; A58-L118 HydrophobicContact CB-CD2 3.7Å; A58-T169 HydrophobicContact CB-CG2 4.4Å
59	G	96.6	Very high	94.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.5	-172	0	0	0	0	0	114.1	G47 R167 Y168	G47-G59 CarbonylContact O-C 3.5Å; G47-G59 WeakPolarHBondContact O-CA 3.33Å; G59-R167 WeakPolarHBondContact O-CA 3.14Å; G59-Y168 PolarHBondContact N-O 2.7Å; G59-Y168 PolarHBondContact O-N 2.96Å
60	C	97.8	Very high	93.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115	163.5	-174.9	0	0	0	0	108.7	G47 F103 P119 L166	G47-C60 PolarHBondContact N-O 2.81Å; G47-C60 PolarHBondContact O-N 2.98Å; C60-F103 HydrophobicContact CB-CD1 4.49Å; C60-F103 HydrophobicContact CB-CE1 3.99Å; C60-P119 HydrophobicContact CB-CB 4.45Å; C60-L166 CarbonylContact C-O 3.41Å; C60-L166 WeakPolarHBondContact CA-O 3.35Å
61	L	97.8	Very high	93.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.1	180	166.6	67.3	0	0	0	109.7	L44 Q45 L46 L63 I165 L166 Y168 F205 P206	L44-L61 HydrophobicContact CD1-CD1 3.55Å; L44-L61 HydrophobicContact CD2-CD1 4.28Å; L44-L61 HydrophobicContact CG-CD1 3.58Å; Q45-L61 CarbonylContact O-C 3.33Å; Q45-L61 WeakPolarHBondContact O-CA 3.34Å; L46-L61 HydrophobicContact CD2-CB 4.29Å; L46-L61 HydrophobicContact CD2-CD1 3.74Å; L61-L63 HydrophobicContact CD1-CD2 3.86Å; L61-L63 HydrophobicContact CD1-CG 4.36Å; L61-L63 HydrophobicContact CD2-CD1 4.44Å; L61-L63 HydrophobicContact CD2-CD2 4.08Å; L61-L63 HydrophobicContact CD2-CG 4.17Å; L61-L63 HydrophobicContact CG-CD2 4.11Å; L61-L63 HydrophobicContact CG-CG 4.12Å; L61-I165 CarbonylContact O-C 3.59Å; L61-I165 WeakPolarHBondContact O-CA 3.02Å; L61-L166 HydrophobicContact CB-CB 4.32Å; L61-L166 HydrophobicContact CD2-CD1 4.18Å; L61-L166 PolarHBondContact N-O 3.1Å; L61-L166 PolarHBondContact O-N 3.47Å; L61-Y168 HydrophobicContact CB-CE1 3.87Å; L61-F205 HydrophobicContact CD1-CD2 4.44Å; L61-F205 HydrophobicContact CD2-CD2 4.27Å; L61-P206 WeakPolarHBondContact CD2-O 3.26Å
62	V	97.6	Very high	92.7	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.9	168.6	-173.2	0	0	0	0	109.5	Q45 F121 Q163 V164 I165	Q45-V62 HydrophobicContact CB-CB 4.1Å; Q45-V62 HydrophobicContact CG-CB 4.46Å; Q45-V62 PolarHBondContact N-O 3.33Å; Q45-V62 PolarHBondContact O-N 3.21Å; V62-F121 HydrophobicContact CG2-CD2 4.45Å; V62-F121 HydrophobicContact CG2-CE2 3.26Å; V62-F121 HydrophobicContact CG2-CZ 3.3Å; V62-Q163 HydrophobicContact CG1-CB 4.09Å; V62-Q163 HydrophobicContact CG1-CG 3.92Å; V62-V164 WeakPolarHBondContact CA-O 3.37Å; V62-I165 HydrophobicContact CG1-CG1 4.23Å; V62-I165 HydrophobicContact CG2-CG1 4.1Å; V62-I165 HydrophobicContact CG2-CG2 4.26Å
63	L	97.4	Very high	92.7	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.2	174.5	-60.4	174.5	0	0	0	109.1	L41 L44 L61 L65 L75 L77 Q163 V164	L41-L63 HydrophobicContact CD1-CB 4.21Å; L41-L63 HydrophobicContact CD1-CD2 3.93Å; L44-L63 HydrophobicContact CD1-CD2 3.8Å; L44-L63 HydrophobicContact CG-CD2 4.41Å; L61-L63 HydrophobicContact CD1-CD2 3.86Å; L61-L63 HydrophobicContact CD1-CG 4.36Å; L61-L63 HydrophobicContact CD2-CD1 4.44Å; L61-L63 HydrophobicContact CD2-CD2 4.08Å; L61-L63 HydrophobicContact CD2-CG 4.17Å; L61-L63 HydrophobicContact CG-CD2 4.11Å; L61-L63 HydrophobicContact CG-CG 4.12Å; L63-L65 HydrophobicContact CB-CD1 3.9Å; L63-L65 HydrophobicContact CB-CD2 4.44Å; L63-L65 HydrophobicContact CB-CG 3.95Å; L63-L65 HydrophobicContact CD1-CD1 4.48Å; L63-L75 HydrophobicContact CD1-CD2 4.25Å; L63-L77 HydrophobicContact CD1-CD1 3.63Å; L63-L77 HydrophobicContact CD1-CD2 3.94Å; L63-L77 HydrophobicContact CD1-CG 4.43Å; L63-Q163 VanDerWaalsContact O-CA 3.26Å; L63-Q163 WeakPolarHBondContact O-CA 3.35Å; L63-V164 PolarHBondContact N-O 3.11Å; L63-V164 PolarHBondContact O-N 2.96Å
64	E	96.4	Very high	93	Very high	47 Å²	47	41.3 Å²	41.3	22%	0.22	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	109.8	170.3	-59.2	-169	176.3	0	0	109.6	R42 H43 Q45 Q163	R42-E64 HydrophobicContact CB-CB 4.24Å; R42-E64 PolarHBondContact N-O 3.1Å; H43-E64 HydrophobicContact CB-CB 4.19Å; H43-E64 HydrophobicContact CB-CG 4.19Å; H43-E64 PolarHBondContact O-N 3.06Å; Q45-E64 PolarHBondContact NE2-OE1 3.28Å; E64-Q163 HydrophobicContact CG-CG 3.92Å; E64-Q163 PolarHBondContact OE1-NE2 3.07Å
65	L	95.6	Very high	93.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.3	-167.3	-65.2	164.3	0	0	0	111.4	F39 R40 L41 L63 L75 P161 F162 V164 F208	F39-L65 HydrophobicContact CB-CD2 4.17Å; R40-L65 WeakPolarHBondContact O-CA 3.34Å; L41-L65 HydrophobicContact CB-CD2 4.24Å; L41-L65 HydrophobicContact CD1-CD2 3.8Å; L41-L65 HydrophobicContact CD1-CG 4.49Å; L63-L65 HydrophobicContact CB-CD1 3.9Å; L63-L65 HydrophobicContact CB-CD2 4.44Å; L63-L65 HydrophobicContact CB-CG 3.95Å; L63-L65 HydrophobicContact CD1-CD1 4.48Å; L65-L75 HydrophobicContact CD1-CD1 4.28Å; L65-L75 HydrophobicContact CD1-CD2 3.66Å; L65-P161 CarbonylContact O-C 3.54Å; L65-P161 VanDerWaalsContact O-CA 3.32Å; L65-P161 WeakPolarHBondContact O-CA 3.44Å; L65-F162 HydrophobicContact CB-CD1 4.49Å; L65-F162 HydrophobicContact CB-CD2 4.36Å; L65-F162 HydrophobicContact CB-CE1 3.97Å; L65-F162 HydrophobicContact CB-CE2 3.83Å; L65-F162 HydrophobicContact CB-CZ 3.6Å; L65-F162 HydrophobicContact CD1-CE2 3.88Å; L65-F162 HydrophobicContact CD1-CZ 4.15Å; L65-F162 PolarHBondContact N-O 3.15Å; L65-F162 WeakPolarHBondContact O-CD1 3.42Å; L65-F162 PolarHBondContact O-N 2.97Å; L65-V164 HydrophobicContact CD1-CB 4.4Å; L65-V164 HydrophobicContact CD1-CG2 4.05Å; L65-F208 HydrophobicContact CD2-CE2 3.84Å; L65-F208 HydrophobicContact CD2-CZ 4.25Å
66	C	94.4	Very high	93.5	Very high	10 Å²	10	36.2 Å²	36.2	7%	0.068	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	133	161.9	-71.8	0	0	0	0	108.7	F39 R40 H159	F39-C66 CarbonylContact C-O 3.59Å; F39-C66 VanDerWaalsContact CA-O 3.32Å; F39-C66 WeakPolarHBondContact CA-O 3.4Å; R40-C66 HydrophobicContact CB-CB 4.32Å; R40-C66 PolarHBondContact N-O 2.77Å; R40-C66 PolarHBondContact O-N 3.34Å; C66-H159 PolarHBondContact SG-O 2.88Å
67	A	93.6	Very high	93.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	135.5	170.8	0	0	0	0	0	110.2	F39 R69 P72 A158 H159 F162	F39-A67 HydrophobicContact CD1-CB 4.45Å; F39-A67 HydrophobicContact CE1-CB 4.42Å; A67-R69 VanDerWaalsContact C-N 3.35Å; A67-R69 WeakPolarHBondContact CB-O 3.28Å; A67-P72 HydrophobicContact CB-CG 3.68Å; A67-A158 CarbonylContact O-C 3.34Å; A67-A158 WeakPolarHBondContact O-CA 3.5Å; A67-H159 PolarHBondContact O-N 2.83Å; A67-F162 HydrophobicContact CB-CE1 4.44Å
68	L	92.3	Very high	93.8	Very high	68 Å²	68	33.9 Å²	33.9	36%	0.356	17%	0.17	S	C	.	.	S	Bend	trans	-81.5	-19.8	176.4	-64.1	179.9	0	0	0	112.5	L38 R40	L38-L68 PolarHBondContact O-N 3.26Å; R40-L68 HydrophobicContact CB-CD2 4.06Å
69	R	88.2	Confident	93.8	Very high	166 Å²	166	34 Å²	34	63%	0.626	17%	0.171	S	C	*	.	S	Bend	trans	-131.8	154.8	176.4	-66.5	-171.1	-70.9	177.2	-3.2	109.4	A67 P72	A67-R69 VanDerWaalsContact C-N 3.35Å; A67-R69 WeakPolarHBondContact CB-O 3.28Å; R69-P72 WeakPolarHBondContact O-CD 3.45Å
70	P	83.6	Confident	93.8	Very high	89 Å²	89	35.4 Å²	35.4	58%	0.578	18%	0.178	S	C	*	.	S	Bend	trans	-66.6	151.1	177.6	27.7	-34.1	0	0	0	111.7
71	A	80.6	Confident	93.6	Very high	49 Å²	49	40.1 Å²	40.1	41%	0.405	21%	0.208	S	C	.	.			trans	51.1	47.8	173	0	0	0	0	0	116.4	R73 P154 L156	A71-R73 PolarHBondContact O-N 2.83Å; A71-P154 WeakPolarHBondContact CB-O 3.26Å; A71-L156 PolarHBondContact N-O 3.42Å
72	P	84.2	Confident	93.4	Very high	17 Å²	17	41.2 Å²	41.2	11%	0.11	22%	0.217	C	C	.	.			trans	-63.5	125.4	167.4	30.8	-34.3	0	0	0	108.8	F39 A67 R69 L152 L156	F39-P72 HydrophobicContact CE1-CB 4.06Å; F39-P72 HydrophobicContact CE1-CG 3.74Å; F39-P72 HydrophobicContact CZ-CB 3.73Å; F39-P72 HydrophobicContact CZ-CG 3.95Å; A67-P72 HydrophobicContact CB-CG 3.68Å; R69-P72 WeakPolarHBondContact O-CD 3.45Å; P72-L152 HydrophobicContact CG-CD1 4.24Å; P72-L156 HydrophobicContact CG-CD1 4.24Å
73	R	89	Confident	93.3	Very high	205 Å²	205	42 Å²	42	77%	0.774	22%	0.221	S	C	*	.			trans	-83	-17.9	-176.1	-65.9	-161.4	177.6	-162.8	0.7	114	A71 L152	A71-R73 PolarHBondContact O-N 2.83Å; R73-L152 PolarHBondContact O-N 2.88Å
74	A	95	Very high	93.2	Very high	32 Å²	32	50.3 Å²	50.3	26%	0.264	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	145	-177.6	0	0	0	0	0	111.2	F39 T149 V150	F39-A74 WeakPolarHBondContact CZ-O 3.38Å; A74-T149 HydrophobicContact CB-CG2 3.97Å; A74-V150 CarbonylContact C-O 3.59Å; A74-V150 VanDerWaalsContact CA-O 3.31Å; A74-V150 WeakPolarHBondContact CA-O 3.3Å
75	L	97.3	Very high	93.3	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.2	162.3	170	66	0	0	0	107.3	F39 L63 L65 L77 V150 L152 V164 F208	F39-L75 HydrophobicContact CD2-CD1 3.74Å; F39-L75 HydrophobicContact CE2-CB 4.3Å; F39-L75 HydrophobicContact CE2-CD1 3.76Å; F39-L75 HydrophobicContact CG-CD1 4.27Å; F39-L75 HydrophobicContact CZ-CB 4.25Å; F39-L75 HydrophobicContact CZ-CD1 4.29Å; L63-L75 HydrophobicContact CD1-CD2 4.25Å; L65-L75 HydrophobicContact CD1-CD1 4.28Å; L65-L75 HydrophobicContact CD1-CD2 3.66Å; L75-L77 HydrophobicContact CD1-CD2 4.01Å; L75-L77 HydrophobicContact CD1-CG 4.49Å; L75-L77 HydrophobicContact CD2-CD1 4.3Å; L75-L77 HydrophobicContact CD2-CD2 4.32Å; L75-L77 HydrophobicContact CD2-CG 4.3Å; L75-L77 HydrophobicContact CG-CD2 4.16Å; L75-L77 HydrophobicContact CG-CG 4.12Å; L75-V150 HydrophobicContact CB-CB 4.39Å; L75-V150 PolarHBondContact N-O 2.86Å; L75-V150 PolarHBondContact O-N 2.8Å; L75-L152 HydrophobicContact CB-CD1 4.01Å; L75-L152 HydrophobicContact CB-CD2 4.16Å; L75-L152 HydrophobicContact CB-CG 4.14Å; L75-V164 HydrophobicContact CD2-CB 4.28Å; L75-V164 HydrophobicContact CD2-CG1 4.25Å; L75-V164 HydrophobicContact CD2-CG2 3.99Å; L75-F208 HydrophobicContact CD1-CE1 3.78Å; L75-F208 HydrophobicContact CD1-CZ 3.5Å
76	V	98.1	Very high	93.4	Very high	25 Å²	25	53 Å²	53	15%	0.152	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.1	174.3	-172.9	0	0	0	0	108.8	A33 S34 S35 S147 L148 F208	A33-V76 VanDerWaalsContact O-CG1 3.25Å; A33-V76 WeakPolarHBondContact O-CG1 3.36Å; S34-V76 WeakPolarHBondContact CA-O 3.35Å; S34-V76 WeakPolarHBondContact CB-O 3.46Å; S35-V76 PolarHBondContact N-O 2.9Å; S35-V76 PolarHBondContact OG-N 2.76Å; S35-V76 PolarHBondContact OG-O 2.79Å; V76-S147 WeakPolarHBondContact CG1-OG 3.42Å; V76-L148 CarbonylContact C-O 3.58Å; V76-L148 WeakPolarHBondContact CA-O 3.5Å; V76-F208 WeakPolarHBondContact O-CE1 3.42Å
77	L	98.5	Very high	93.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	153.6	176.1	-58.8	173.4	0	0	0	109.6	L63 L75 L148 L166 P206 F208	L63-L77 HydrophobicContact CD1-CD1 3.63Å; L63-L77 HydrophobicContact CD1-CD2 3.94Å; L63-L77 HydrophobicContact CD1-CG 4.43Å; L75-L77 HydrophobicContact CD1-CD2 4.01Å; L75-L77 HydrophobicContact CD1-CG 4.49Å; L75-L77 HydrophobicContact CD2-CD1 4.3Å; L75-L77 HydrophobicContact CD2-CD2 4.32Å; L75-L77 HydrophobicContact CD2-CG 4.3Å; L75-L77 HydrophobicContact CG-CD2 4.16Å; L75-L77 HydrophobicContact CG-CG 4.12Å; L77-L148 HydrophobicContact CB-CB 4.37Å; L77-L148 HydrophobicContact CD1-CD2 4.31Å; L77-L148 PolarHBondContact N-O 2.76Å; L77-L148 PolarHBondContact O-N 3.03Å; L77-L166 HydrophobicContact CD1-CD1 3.56Å; L77-P206 HydrophobicContact CB-CB 4.39Å; L77-P206 HydrophobicContact CD1-CB 4.09Å; L77-F208 HydrophobicContact CD2-CD1 3.82Å; L77-F208 HydrophobicContact CD2-CE1 3.65Å; L77-F208 HydrophobicContact CD2-CG 4.39Å; L77-F208 HydrophobicContact CD2-CZ 4.1Å
78	D	98.3	Very high	93.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	136.8	164.7	-58.7	-64.3	0	0	0	109.5	S32 A33 S34 R202 P206 C207 D209	S32-D78 WeakPolarHBondContact CA-OD1 3.36Å; S32-D78 WeakPolarHBondContact CB-OD2 3.36Å; S32-D78 PolarHBondContact OG-OD1 3.04Å; S32-D78 PolarHBondContact OG-OD2 2.87Å; A33-D78 PolarHBondContact N-OD1 2.82Å; S34-D78 WeakPolarHBondContact CB-OD2 3.31Å; D78-R202 HydrophobicContact CB-CB 3.8Å; D78-R202 IonicContact OD1-CZ 3.72Å; D78-R202 IonicContact OD1-NH1 2.78Å; D78-R202 IonicContact OD1-NH2 3.95Å; D78-P206 CarbonylContact O-C 3.28Å; D78-P206 VanDerWaalsContact O-CA 3.28Å; D78-P206 WeakPolarHBondContact O-CA 3.23Å; D78-C207 PolarHBondContact N-O 3.44Å; D78-C207 PolarHBondContact O-N 3.44Å; D78-D209 HydrophobicContact CB-CB 3.69Å; D78-D209 PolarHBondContact OD2-N 2.75Å
79	A	97.5	Very high	93.8	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.033	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	-176.1	174.5	0	0	0	0	0	109.9	G145 S146 L148 R202	A79-G145 WeakPolarHBondContact O-CA 3.33Å; A79-S146 PolarHBondContact N-O 2.97Å; A79-S146 PolarHBondContact O-N 2.67Å; A79-L148 HydrophobicContact CB-CB 4.01Å; A79-R202 CarbonylContact C-O 3.49Å; A79-R202 VanDerWaalsContact CA-O 3.3Å; A79-R202 WeakPolarHBondContact CA-O 3.26Å
80	H	96.7	Very high	94.1	Very high	28 Å²	28	44.9 Å²	44.9	13%	0.13	24%	0.24	C	C	.	.			trans	-138.9	149	176	-171.4	-95.9	0	0	0	110.8	A82 L83 P174 R202	H80-A82 VanDerWaalsContact ND1-CB 3.26Å; H80-A82 WeakPolarHBondContact ND1-CB 3.4Å; H80-A82 PolarHBondContact ND1-N 2.88Å; H80-A82 VanDerWaalsContact ND1-N 3.11Å; H80-A82 PolarHBondContact O-N 2.99Å; H80-A82 VanDerWaalsContact O-N 3.1Å; H80-L83 WeakPolarHBondContact O-CB 3.33Å; H80-L83 PolarHBondContact O-N 3.29Å; H80-P174 VanDerWaalsContact CE1-CD 3.42Å; H80-P174 WeakPolarHBondContact CE1-CD 3.44Å; H80-P174 WeakPolarHBondContact NE2-CG 3.37Å; H80-R202 HydrophobicContact CB-CG 4.46Å; H80-R202 PolarHBondContact N-O 3.07Å
81	P	94.1	Very high	94.5	Very high	99 Å²	99	42.4 Å²	42.4	64%	0.643	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.7	178.2	-28.6	36.6	0	0	0	115.5	L83 S146	P81-L83 PolarHBondContact O-N 2.81Å; P81-S146 WeakPolarHBondContact CD-OG 3.47Å
82	A	94.1	Very high	94.8	Very high	23 Å²	23	48 Å²	48	19%	0.19	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.7	174.4	0	0	0	0	0	113.5	H80 A173	H80-A82 VanDerWaalsContact ND1-CB 3.26Å; H80-A82 WeakPolarHBondContact ND1-CB 3.4Å; H80-A82 PolarHBondContact ND1-N 2.88Å; H80-A82 VanDerWaalsContact ND1-N 3.11Å; H80-A82 PolarHBondContact O-N 2.99Å; H80-A82 VanDerWaalsContact O-N 3.1Å; A82-A173 HydrophobicContact CB-CB 3.72Å
83	L	94.4	Very high	94.1	Very high	16 Å²	16	48.5 Å²	48.5	8%	0.084	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120	178.4	-171	154.5	0	0	0	109.8	H80 P81 Y168 T169 P206	H80-L83 WeakPolarHBondContact O-CB 3.33Å; H80-L83 PolarHBondContact O-N 3.29Å; P81-L83 PolarHBondContact O-N 2.81Å; L83-Y168 HydrophobicContact CD1-CD2 3.66Å; L83-Y168 HydrophobicContact CD1-CE2 4Å; L83-Y168 HydrophobicContact CD1-CG 4.24Å; L83-Y168 HydrophobicContact CD2-CD2 4.12Å; L83-Y168 HydrophobicContact CD2-CG 4.03Å; L83-Y168 HydrophobicContact CG-CD2 3.77Å; L83-Y168 HydrophobicContact CG-CG 4.22Å; L83-T169 WeakPolarHBondContact CA-O 3.22Å; L83-P206 HydrophobicContact CD1-CG 4.02Å; L83-P206 HydrophobicContact CD2-CG 3.89Å
84	R	96.4	Very high	92.6	Very high	177 Å²	177	43.1 Å²	43.1	67%	0.668	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.7	175.7	179.3	178.2	-76.4	179.3	-3.3	110.1	Y168 T169	R84-Y168 CarbonylContact O-C 3.6Å; R84-Y168 WeakPolarHBondContact O-CA 3.45Å; R84-Y168 WeakPolarHBondContact O-CB 3.46Å; R84-T169 PolarHBondContact N-O 3.32Å; R84-T169 PolarHBondContact O-N 2.75Å
85	L	97.1	Very high	90.3	Very high	20 Å²	20	47.1 Å²	47.1	11%	0.105	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	130.6	172.2	-169.5	71.7	0	0	0	110.5	F136 L148 L166 R167	L85-F136 HydrophobicContact CB-CE2 4.1Å; L85-F136 HydrophobicContact CB-CZ 4.39Å; L85-F136 HydrophobicContact CD2-CB 4.21Å; L85-F136 HydrophobicContact CD2-CD1 3.95Å; L85-F136 HydrophobicContact CD2-CD2 3.54Å; L85-F136 HydrophobicContact CD2-CE1 4.17Å; L85-F136 HydrophobicContact CD2-CE2 3.76Å; L85-F136 HydrophobicContact CD2-CG 3.62Å; L85-F136 HydrophobicContact CD2-CZ 4.06Å; L85-F136 HydrophobicContact CG-CD2 4.4Å; L85-F136 HydrophobicContact CG-CE1 4.45Å; L85-F136 HydrophobicContact CG-CE2 4.12Å; L85-F136 HydrophobicContact CG-CZ 4.14Å; L85-L148 HydrophobicContact CD2-CD1 3.53Å; L85-L148 HydrophobicContact CD2-CD2 3.86Å; L85-L148 HydrophobicContact CD2-CG 4.34Å; L85-L166 HydrophobicContact CD1-CB 3.84Å; L85-L166 HydrophobicContact CD1-CD2 4.26Å; L85-L166 HydrophobicContact CD1-CG 4.46Å; L85-L166 HydrophobicContact CD2-CD2 4.42Å; L85-R167 WeakPolarHBondContact CD1-O 3.45Å
86	H	97.1	Very high	87.7	Confident	84 Å²	84	51.4 Å²	51.4	39%	0.389	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-38.5	179.9	-60.8	-65.8	0	0	0	112.8	L118 R167 T169	H86-L118 HydrophobicContact CB-CD1 4.15Å; H86-L118 WeakPolarHBondContact CD2-CD1 3.34Å; H86-R167 PolarHBondContact N-O 3.01Å; H86-T169 VanDerWaalsContact NE2-CG2 3.33Å; H86-T169 WeakPolarHBondContact NE2-CG2 3.49Å; H86-T169 PolarHBondContact NE2-OG1 3.26Å
87	S	97	Very high	85	Confident	42 Å²	42	54.7 Å²	54.7	29%	0.294	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	149.7	-179.6	66.6	0	0	0	0	111.5	R167	S87-R167 PolarHBondContact N-O 3.25Å; S87-R167 PolarHBondContact O-N 3.13Å; S87-R167 WeakPolarHBondContact OG-CB 3.46Å; S87-R167 WeakPolarHBondContact OG-CD 3.48Å
88	A	97.3	Very high	81.8	Confident	4 Å²	4	63.3 Å²	63.3	3%	0.033	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.9	165.4	0	0	0	0	0	109.3	L134 F136 V150 I165 L166	A88-L134 HydrophobicContact CB-CB 3.93Å; A88-L134 PolarHBondContact O-N 3.46Å; A88-F136 HydrophobicContact CB-CB 4.47Å; A88-F136 HydrophobicContact CB-CD1 3.93Å; A88-V150 HydrophobicContact CB-CG1 4.13Å; A88-I165 CarbonylContact C-O 3.43Å; A88-I165 WeakPolarHBondContact CA-O 3.25Å; A88-L166 HydrophobicContact CB-CD2 3.51Å
89	A	95.8	Very high	78.8	Confident	18 Å²	18	69.4 Å²	69.4	15%	0.149	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155.2	177.2	0	0	0	0	0	111.6	C131 C132 V164 I165	A89-C131 HydrophobicContact CB-CB 4.39Å; A89-C132 CarbonylContact C-O 3.53Å; A89-C132 VanDerWaalsContact CA-O 3.28Å; A89-C132 WeakPolarHBondContact CA-O 3.39Å; A89-V164 CarbonylContact O-C 3.55Å; A89-V164 WeakPolarHBondContact O-CA 3.37Å; A89-I165 HydrophobicContact CB-CB 4.37Å; A89-I165 PolarHBondContact N-O 2.81Å; A89-I165 PolarHBondContact O-N 3.33Å
90	F	94.2	Very high	76	Confident	11 Å²	11	74.3 Å²	74.3	5%	0.048	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.7	179.6	175.2	-100.7	0	0	0	110.2	R92 C131 C132 L134 P153 L156 F162 Q163	F90-R92 HydrophobicContact CE1-CG 3.6Å; F90-R92 HydrophobicContact CZ-CG 3.85Å; F90-C131 CarbonylContact O-C 3.6Å; F90-C131 WeakPolarHBondContact O-CA 3.21Å; F90-C132 HydrophobicContact CB-CB 4.39Å; F90-C132 PolarHBondContact N-O 2.97Å; F90-C132 PolarHBondContact O-N 3.39Å; F90-L134 HydrophobicContact CB-CD1 3.86Å; F90-L134 HydrophobicContact CB-CD2 3.67Å; F90-L134 HydrophobicContact CB-CG 3.8Å; F90-P153 HydrophobicContact CD1-CG 4.01Å; F90-P153 HydrophobicContact CD2-CG 4.08Å; F90-P153 HydrophobicContact CE1-CG 4.11Å; F90-P153 HydrophobicContact CE2-CG 4.19Å; F90-P153 HydrophobicContact CG-CG 3.99Å; F90-P153 HydrophobicContact CZ-CG 4.2Å; F90-L156 HydrophobicContact CE2-CD2 3.88Å; F90-L156 HydrophobicContact CZ-CD2 3.92Å; F90-F162 HydrophobicContact CD2-CD2 4.08Å; F90-F162 HydrophobicContact CE2-CB 3.64Å; F90-F162 AromaticContact CE2-CD2 3.63Å; F90-F162 HydrophobicContact CE2-CD2 3.63Å; F90-F162 AromaticContact CE2-CG 3.83Å; F90-F162 HydrophobicContact CE2-CG 3.83Å; F90-F162 HydrophobicContact CZ-CB 4.05Å; F90-Q163 WeakPolarHBondContact CA-O 3.36Å
91	R	91.4	Very high	73.4	Confident	36 Å²	36	74.9 Å²	74.9	14%	0.136	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.4	171.2	-175.5	168.7	64.1	-172.1	1.4	109.7	A93 C101 Q163 I165	R91-A93 PolarHBondContact O-N 3.44Å; R91-C101 PolarHBondContact NH2-SG 3.18Å; R91-Q163 HydrophobicContact CB-CB 4.23Å; R91-Q163 PolarHBondContact N-O 3.24Å; R91-Q163 PolarHBondContact O-N 3.39Å; R91-I165 HydrophobicContact CB-CD1 4.34Å
92	R	86.8	Confident	71.1	Confident	166 Å²	166	73 Å²	73	63%	0.626	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	125.8	168.2	-68.9	-172.5	176.9	170.1	-0.2	108	F90	F90-R92 HydrophobicContact CE1-CG 3.6Å; F90-R92 HydrophobicContact CZ-CG 3.85Å
93	A	70.6	Confident	69.2	Low	29 Å²	29	72.6 Å²	72.6	24%	0.24	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-73.4	136.5	177.7	0	0	0	0	0	109.4	R91 P161	R91-A93 PolarHBondContact O-N 3.44Å; A93-P161 HydrophobicContact CB-CB 4.11Å; A93-P161 HydrophobicContact CB-CG 4.36Å
94	P	57.2	Low	67.1	Low	91 Å²	91	73.8 Å²	73.8	59%	0.591	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-63.8	153.4	172.4	25.5	-31.3	0	0	0	110.9	S96	P94-S96 PolarHBondContact O-N 3.28Å
95	A	47.2	Very low	65.1	Low	116 Å²	116	67.2 Å²	67.2	96%	0.959	41%	0.412	S	S	*	.	S	Bend	trans	-67.3	-14.7	-176.1	0	0	0	0	0	114.4
96	S	42.3	Very low	62.7	Low	91 Å²	91	68 Å²	68	64%	0.636	42%	0.419	S	S	*	.	S	Bend	trans	-119	117.2	179.3	57.9	0	0	0	0	110.7	P94 E98	P94-S96 PolarHBondContact O-N 3.28Å; S96-E98 PolarHBondContact O-N 3.48Å
97	A	41.2	Very low	59.9	Low	94 Å²	94	68.4 Å²	68.4	78%	0.777	44%	0.437	S	S	*	.			trans	-89.9	95.2	179	0	0	0	0	0	110.2
98	E	32	Very low	57.1	Low	181 Å²	181	72.5 Å²	72.5	85%	0.846	46%	0.462	S	S	*	.			trans	-139.8	10.2	173.8	-79	-165.2	164.7	0	0	115.6	S96	S96-E98 PolarHBondContact O-N 3.48Å
99	T	33.8	Very low	54.2	Low	127 Å²	127	75 Å²	75	78%	0.779	49%	0.488	S	S	*	.			trans	-141.2	118.3	173	3.1	0	0	0	0	112.2	C101	T99-C101 PolarHBondContact O-N 2.88Å
100	P	39.9	Very low	51.1	Low	108 Å²	108	81 Å²	81	70%	0.701	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-57.6	135.4	164.7	-15.4	28.1	0	0	0	108.6	A102	P100-A102 PolarHBondContact O-N 3.15Å
101	C	42.2	Very low	48.6	Very low	39 Å²	39	83 Å²	83	26%	0.264	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-71.2	125.2	172.8	-64.9	0	0	0	0	107.7	R91 T99 F121	R91-C101 PolarHBondContact NH2-SG 3.18Å; T99-C101 PolarHBondContact O-N 2.88Å; C101-F121 HydrophobicContact CB-CD1 3.17Å; C101-F121 HydrophobicContact CB-CE1 3.24Å; C101-F121 HydrophobicContact CB-CG 4.15Å; C101-F121 HydrophobicContact CB-CZ 4.24Å; C101-F121 VanDerWaalsContact O-CE1 3.28Å; C101-F121 WeakPolarHBondContact O-CE1 3.4Å
102	A	46.1	Very low	46.1	Very low	61 Å²	61	88.3 Å²	88.3	50%	0.504	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-74.1	149	179.8	0	0	0	0	0	111.1	P100 F121 P122	P100-A102 PolarHBondContact O-N 3.15Å; A102-F121 WeakPolarHBondContact O-CA 3.45Å; A102-F121 WeakPolarHBondContact O-CD1 2.96Å; A102-P122 HydrophobicContact CB-CG 3.93Å; A102-P122 WeakPolarHBondContact O-CD 2.76Å
103	F	54.3	Low	43.8	Very low	14 Å²	14	83.9 Å²	83.9	6%	0.061	59%	0.588	C	S	.	*	P	Polyproline II helix	trans	-97.3	121.2	172.4	-70	-87.6	0	0	0	110	Q45 L46 G47 C60 F105 A120 F121 V220	Q45-F103 HydrophobicContact CB-CZ 4.41Å; L46-F103 VanDerWaalsContact C-CZ 3.45Å; G47-F103 VanDerWaalsContact CA-CZ 3.43Å; C60-F103 HydrophobicContact CB-CD1 4.49Å; C60-F103 HydrophobicContact CB-CE1 3.99Å; F103-F105 HydrophobicContact CB-CE2 3.77Å; F103-F105 HydrophobicContact CB-CZ 4.11Å; F103-A120 CarbonylContact C-O 3.56Å; F103-A120 WeakPolarHBondContact CA-O 3.33Å; F103-F121 HydrophobicContact CD1-CD1 4.31Å; F103-F121 HydrophobicContact CD1-CD2 4.46Å; F103-F121 AromaticContact CD1-CE1 3.88Å; F103-F121 HydrophobicContact CD1-CE1 3.88Å; F103-F121 HydrophobicContact CD1-CE2 4.05Å; F103-F121 AromaticContact CD1-CZ 3.77Å; F103-F121 HydrophobicContact CD1-CZ 3.77Å; F103-F121 HydrophobicContact CD2-CE1 4.09Å; F103-F121 HydrophobicContact CD2-CZ 4.44Å; F103-F121 HydrophobicContact CE1-CD1 4.4Å; F103-F121 HydrophobicContact CE1-CD2 4.26Å; F103-F121 AromaticContact CE1-CE1 3.6Å; F103-F121 HydrophobicContact CE1-CE1 3.6Å; F103-F121 AromaticContact CE1-CE2 3.44Å; F103-F121 HydrophobicContact CE1-CE2 3.44Å; F103-F121 VanDerWaalsContact CE1-CE2 3.44Å; F103-F121 AromaticContact CE1-CZ 3.07Å; F103-F121 HydrophobicContact CE1-CZ 3.07Å; F103-F121 AromaticContact CE2-CE1 3.84Å; F103-F121 HydrophobicContact CE2-CE1 3.84Å; F103-F121 AromaticContact CE2-CZ 3.89Å; F103-F121 HydrophobicContact CE2-CZ 3.89Å; F103-F121 HydrophobicContact CG-CE1 4.14Å; F103-F121 HydrophobicContact CG-CZ 4.42Å; F103-F121 AromaticContact CZ-CE1 3.6Å; F103-F121 HydrophobicContact CZ-CE1 3.6Å; F103-F121 AromaticContact CZ-CE2 3.99Å; F103-F121 HydrophobicContact CZ-CE2 3.99Å; F103-F121 AromaticContact CZ-CZ 3.16Å; F103-F121 HydrophobicContact CZ-CZ 3.16Å; F103-V220 HydrophobicContact CB-CB 4.34Å; F103-V220 HydrophobicContact CB-CG1 4.42Å; F103-V220 HydrophobicContact CD2-CB 3.64Å; F103-V220 HydrophobicContact CD2-CG2 3.54Å; F103-V220 HydrophobicContact CE2-CB 4.31Å; F103-V220 HydrophobicContact CE2-CG2 4.11Å; F103-V220 HydrophobicContact CG-CB 4.31Å
104	A	48.8	Very low	42.3	Very low	41 Å²	41	87.8 Å²	87.8	34%	0.339	61%	0.611	S	S	.	*	B	Isolated β-bridge	trans	-88.7	117.9	168.2	0	0	0	0	0	110.5	A120 P122	A104-A120 WeakPolarHBondContact CA-O 3.42Å; A104-A120 PolarHBondContact N-O 3.28Å; A104-A120 PolarHBondContact O-N 2.94Å; A104-P122 HydrophobicContact CB-CB 4.15Å; A104-P122 HydrophobicContact CB-CG 4.23Å
105	F	54.1	Low	41.4	Very low	38 Å²	38	88.9 Å²	88.9	17%	0.167	62%	0.618	C	S	.	*	P	Polyproline II helix	trans	-99.2	143.4	169.6	-59.4	-92.5	0	0	0	109.3	L48 E49 F103 P119 V220 K222 V244	L48-F105 WeakPolarHBondContact O-CE1 3.33Å; E49-F105 HydrophobicContact CB-CD1 4.2Å; E49-F105 HydrophobicContact CB-CE1 4.05Å; F103-F105 HydrophobicContact CB-CE2 3.77Å; F103-F105 HydrophobicContact CB-CZ 4.11Å; F105-P119 HydrophobicContact CD1-CB 3.79Å; F105-P119 HydrophobicContact CD1-CG 3.75Å; F105-P119 HydrophobicContact CE1-CB 3.52Å; F105-P119 HydrophobicContact CE1-CG 3.47Å; F105-P119 VanDerWaalsContact CE1-CG 3.47Å; F105-P119 HydrophobicContact CZ-CB 4.23Å; F105-V220 HydrophobicContact CE2-CG1 3.81Å; F105-V220 HydrophobicContact CZ-CG1 4.2Å; F105-K222 HydrophobicContact CB-CD 3.55Å; F105-K222 HydrophobicContact CD1-CB 3.81Å; F105-K222 HydrophobicContact CD1-CD 3.66Å; F105-K222 HydrophobicContact CD1-CG 4.42Å; F105-K222 HydrophobicContact CD2-CB 4.33Å; F105-K222 HydrophobicContact CD2-CD 4.29Å; F105-K222 HydrophobicContact CE1-CB 3.71Å; F105-K222 HydrophobicContact CE1-CD 4.42Å; F105-K222 HydrophobicContact CE2-CB 4.26Å; F105-K222 HydrophobicContact CG-CB 4.12Å; F105-K222 HydrophobicContact CG-CD 3.57Å; F105-K222 HydrophobicContact CG-CG 4.48Å; F105-K222 HydrophobicContact CZ-CB 3.96Å; F105-V244 HydrophobicContact CD2-CG1 3.86Å; F105-V244 HydrophobicContact CE2-CG1 3.79Å
106	S	47.8	Very low	41.5	Very low	38 Å²	38	86.4 Å²	86.4	27%	0.266	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-69.8	142.5	177.8	36.6	0	0	0	0	111.5	P117 K222	S106-P117 WeakPolarHBondContact OG-CD 3.22Å; S106-P117 WeakPolarHBondContact OG-CG 3.47Å; S106-P117 PolarHBondContact OG-O 2.96Å; S106-K222 PolarHBondContact O-NZ 3.06Å
107	A	39	Very low	42	Very low	91 Å²	91	86.3 Å²	86.3	75%	0.752	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-73.7	145.2	177.5	0	0	0	0	0	111.2	G109	A107-G109 PolarHBondContact O-N 2.9Å
108	P	36.6	Very low	42.6	Very low	129 Å²	129	83.6 Å²	83.6	84%	0.838	56%	0.561	S	S	*	*			trans	-68.8	115.3	178	26.1	-30.8	0	0	0	110.7
109	G	36.7	Very low	43.8	Very low	56 Å²	56	75 Å²	75	58%	0.577	52%	0.521	S	S	*	.			trans	-82.9	149.9	172.8	0	0	0	0	0	112.1	A107 G111	A107-G109 PolarHBondContact O-N 2.9Å; G109-G111 PolarHBondContact O-N 2.82Å
110	P	31.9	Very low	44.3	Very low	144 Å²	144	70.3 Å²	70.3	94%	0.935	50%	0.496	S	S	*	.	S	Bend	trans	-81.9	111.1	175.9	31.2	-29.5	0	0	0	110.5
111	G	39.9	Very low	44.7	Very low	54 Å²	54	66.5 Å²	66.5	56%	0.557	47%	0.468	S	S	*	.	S	Bend	trans	142.7	167.7	169.4	0	0	0	0	0	114	G109 A113	G109-G111 PolarHBondContact O-N 2.82Å; G111-A113 PolarHBondContact O-N 3.25Å
112	P	40.2	Very low	44.5	Very low	147 Å²	147	68.1 Å²	68.1	96%	0.955	48%	0.478	S	S	*	.	S	Bend	trans	-71.8	85.4	173	30.7	-30.4	0	0	0	108.3
113	A	37.7	Very low	44.2	Very low	73 Å²	73	74.3 Å²	74.3	60%	0.603	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-96	155.9	-177.8	0	0	0	0	0	110.8	G111	G111-A113 PolarHBondContact O-N 3.25Å
114	P	39.8	Very low	43.2	Very low	111 Å²	111	77 Å²	77	72%	0.721	52%	0.521	S	S	*	.	S	Bend	trans	-53.3	160.5	169.3	23.7	-34.2	0	0	0	111.5
115	P	38.9	Very low	42.4	Very low	113 Å²	113	81.9 Å²	81.9	73%	0.734	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-51.3	136.1	-175.8	19.4	-32.1	0	0	0	111.3
116	P	48.2	Very low	41.7	Very low	65 Å²	65	84.1 Å²	84.1	42%	0.422	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-60.4	139.6	-175.2	20.1	-28.9	0	0	0	110.9	R51	R51-P116 PolarHBondContact NH2-O 3.27Å
117	P	52.7	Low	41.2	Very low	89 Å²	89	86.1 Å²	86.1	58%	0.578	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-62.2	140.1	-178.2	21	-27.4	0	0	0	110.9	S106	S106-P117 WeakPolarHBondContact OG-CD 3.22Å; S106-P117 WeakPolarHBondContact OG-CG 3.47Å; S106-P117 PolarHBondContact OG-O 2.96Å
118	L	54.4	Low	41.2	Very low	36 Å²	36	90.2 Å²	90.2	19%	0.188	61%	0.606	C	S	.	*	P	Polyproline II helix	trans	-55.2	151.6	-178	-62.6	169.8	0	0	0	112	A58 H86 A120 R167 T169	A58-L118 HydrophobicContact CB-CD2 3.7Å; H86-L118 HydrophobicContact CB-CD1 4.15Å; H86-L118 WeakPolarHBondContact CD2-CD1 3.34Å; L118-A120 PolarHBondContact O-N 3.22Å; L118-R167 HydrophobicContact CD1-CB 3.99Å; L118-T169 HydrophobicContact CD2-CG2 3.81Å
119	P	56.4	Low	41.8	Very low	0 Å²	0	87.6 Å²	87.6	0%	0	59%	0.589	C	S	.	*	P	Polyproline II helix	trans	-49.7	125.2	176.6	-25.1	33.1	0	0	0	111.3	E49 C60 F105 R167	E49-P119 HydrophobicContact CB-CG 4.05Å; C60-P119 HydrophobicContact CB-CB 4.45Å; F105-P119 HydrophobicContact CD1-CB 3.79Å; F105-P119 HydrophobicContact CD1-CG 3.75Å; F105-P119 HydrophobicContact CE1-CB 3.52Å; F105-P119 HydrophobicContact CE1-CG 3.47Å; F105-P119 VanDerWaalsContact CE1-CG 3.47Å; F105-P119 HydrophobicContact CZ-CB 4.23Å; P119-R167 PolarHBondContact O-NH1 3.29Å
120	A	45.5	Very low	43	Very low	30 Å²	30	87.6 Å²	87.6	25%	0.248	58%	0.584	C	S	.	*	B	Isolated β-bridge	trans	-115.4	164.9	-178.6	0	0	0	0	0	111	F103 A104 L118	F103-A120 CarbonylContact C-O 3.56Å; F103-A120 WeakPolarHBondContact CA-O 3.33Å; A104-A120 WeakPolarHBondContact CA-O 3.42Å; A104-A120 PolarHBondContact N-O 3.28Å; A104-A120 PolarHBondContact O-N 2.94Å; L118-A120 PolarHBondContact O-N 3.22Å
121	F	48.4	Very low	45.2	Very low	28 Å²	28	83.9 Å²	83.9	12%	0.123	56%	0.561	C	S	.	*	P	Polyproline II helix	trans	-89.9	134.9	165.4	-71	-86.9	0	0	0	108	V62 C101 A102 F103 E123	V62-F121 HydrophobicContact CG2-CD2 4.45Å; V62-F121 HydrophobicContact CG2-CE2 3.26Å; V62-F121 HydrophobicContact CG2-CZ 3.3Å; C101-F121 HydrophobicContact CB-CD1 3.17Å; C101-F121 HydrophobicContact CB-CE1 3.24Å; C101-F121 HydrophobicContact CB-CG 4.15Å; C101-F121 HydrophobicContact CB-CZ 4.24Å; C101-F121 VanDerWaalsContact O-CE1 3.28Å; C101-F121 WeakPolarHBondContact O-CE1 3.4Å; A102-F121 WeakPolarHBondContact O-CA 3.45Å; A102-F121 WeakPolarHBondContact O-CD1 2.96Å; F103-F121 HydrophobicContact CD1-CD1 4.31Å; F103-F121 HydrophobicContact CD1-CD2 4.46Å; F103-F121 AromaticContact CD1-CE1 3.88Å; F103-F121 HydrophobicContact CD1-CE1 3.88Å; F103-F121 HydrophobicContact CD1-CE2 4.05Å; F103-F121 AromaticContact CD1-CZ 3.77Å; F103-F121 HydrophobicContact CD1-CZ 3.77Å; F103-F121 HydrophobicContact CD2-CE1 4.09Å; F103-F121 HydrophobicContact CD2-CZ 4.44Å; F103-F121 HydrophobicContact CE1-CD1 4.4Å; F103-F121 HydrophobicContact CE1-CD2 4.26Å; F103-F121 AromaticContact CE1-CE1 3.6Å; F103-F121 HydrophobicContact CE1-CE1 3.6Å; F103-F121 AromaticContact CE1-CE2 3.44Å; F103-F121 HydrophobicContact CE1-CE2 3.44Å; F103-F121 VanDerWaalsContact CE1-CE2 3.44Å; F103-F121 AromaticContact CE1-CZ 3.07Å; F103-F121 HydrophobicContact CE1-CZ 3.07Å; F103-F121 AromaticContact CE2-CE1 3.84Å; F103-F121 HydrophobicContact CE2-CE1 3.84Å; F103-F121 AromaticContact CE2-CZ 3.89Å; F103-F121 HydrophobicContact CE2-CZ 3.89Å; F103-F121 HydrophobicContact CG-CE1 4.14Å; F103-F121 HydrophobicContact CG-CZ 4.42Å; F103-F121 AromaticContact CZ-CE1 3.6Å; F103-F121 HydrophobicContact CZ-CE1 3.6Å; F103-F121 AromaticContact CZ-CE2 3.99Å; F103-F121 HydrophobicContact CZ-CE2 3.99Å; F103-F121 AromaticContact CZ-CZ 3.16Å; F103-F121 HydrophobicContact CZ-CZ 3.16Å; F121-E123 PolarHBondContact O-N 2.8Å
122	P	37.5	Very low	47.4	Very low	72 Å²	72	84.4 Å²	84.4	47%	0.468	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-66.1	129.2	170.3	25.6	-20.8	0	0	0	108.1	A102 A104 A124	A102-P122 HydrophobicContact CB-CG 3.93Å; A102-P122 WeakPolarHBondContact O-CD 2.76Å; A104-P122 HydrophobicContact CB-CB 4.15Å; A104-P122 HydrophobicContact CB-CG 4.23Å; P122-A124 PolarHBondContact O-N 2.98Å
123	E	39	Very low	50	Low	191 Å²	191	83 Å²	83	89%	0.893	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-73.2	121.5	170.4	-66.4	179.4	167.4	0	0	108	F121	F121-E123 PolarHBondContact O-N 2.8Å
124	A	33.9	Very low	52.8	Low	71 Å²	71	80.6 Å²	80.6	59%	0.587	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-62	136.4	172.4	0	0	0	0	0	109.2	P122 G126	P122-A124 PolarHBondContact O-N 2.98Å; A124-G126 PolarHBondContact O-N 3.06Å
125	P	31.2	Very low	55.5	Low	143 Å²	143	78.5 Å²	78.5	93%	0.929	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	107.4	177.3	6.3	-0.3	0	0	0	109.7
126	G	39.1	Very low	58.3	Low	86 Å²	86	76.8 Å²	76.8	89%	0.887	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.2	10.2	164.4	0	0	0	0	0	118.7	A124	A124-G126 PolarHBondContact O-N 3.06Å
127	A	37.8	Very low	60.6	Low	80 Å²	80	80.9 Å²	80.9	66%	0.661	50%	0.503	S	S	*	.			trans	-137.1	97.3	174.4	0	0	0	0	0	112.5
128	E	39.2	Very low	62.8	Low	176 Å²	176	80.1 Å²	80.1	82%	0.822	50%	0.497	S	S	*	.			trans	-76.7	131	162.6	-81.4	-165.5	173.9	0	0	110
129	P	50.5	Low	64.8	Low	74 Å²	74	80.7 Å²	80.7	48%	0.481	50%	0.5	S	S	.	.				-107.6	111.2	110.1	-1.1	17.2	0	0	0	107.8	C131	P129-C131 PolarHBondContact O-N 2.82Å
130	A	61.4	Low	66.6	Low	57 Å²	57	86.6 Å²	86.6	47%	0.471	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-48.9	123.9	177.6	0	0	0	0	0	110.8	C132	A130-C132 PolarHBondContact O-N 2.87Å
131	C	76.6	Confident	68.9	Low	66 Å²	66	88.3 Å²	88.3	45%	0.446	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-67.9	121.5	170	-74.2	0	0	0	0	108.5	A89 F90 P129	A89-C131 HydrophobicContact CB-CB 4.39Å; F90-C131 CarbonylContact O-C 3.6Å; F90-C131 WeakPolarHBondContact O-CA 3.21Å; P129-C131 PolarHBondContact O-N 2.82Å
132	C	87.8	Confident	71.1	Confident	64 Å²	64	88.4 Å²	88.4	43%	0.432	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.5	178.6	-62.4	0	0	0	0	109.8	A89 F90 A130	A89-C132 CarbonylContact C-O 3.53Å; A89-C132 VanDerWaalsContact CA-O 3.28Å; A89-C132 WeakPolarHBondContact CA-O 3.39Å; F90-C132 HydrophobicContact CB-CB 4.39Å; F90-C132 PolarHBondContact N-O 2.97Å; F90-C132 PolarHBondContact O-N 3.39Å; A130-C132 PolarHBondContact O-N 2.87Å
133	P	94.2	Very high	73.6	Confident	119 Å²	119	91 Å²	91	77%	0.773	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-63.2	142.2	175	27.4	-33.9	0	0	0	110.6
134	L	96.1	Very high	76.1	Confident	21 Å²	21	82.8 Å²	82.8	11%	0.11	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	139.1	176.6	-63.5	-178.4	0	0	0	110.5	A88 F90 V150 T151 L152 V164	A88-L134 HydrophobicContact CB-CB 3.93Å; A88-L134 PolarHBondContact O-N 3.46Å; F90-L134 HydrophobicContact CB-CD1 3.86Å; F90-L134 HydrophobicContact CB-CD2 3.67Å; F90-L134 HydrophobicContact CB-CG 3.8Å; L134-V150 HydrophobicContact CB-CG1 3.82Å; L134-V150 HydrophobicContact CD1-CG1 3.44Å; L134-V150 VanDerWaalsContact CD1-CG1 3.44Å; L134-V150 HydrophobicContact CG-CG1 4.29Å; L134-T151 WeakPolarHBondContact CD2-O 3.28Å; L134-L152 HydrophobicContact CD1-CD2 4.41Å; L134-V164 HydrophobicContact CD1-CG1 4.4Å; L134-V164 HydrophobicContact CD1-CG2 4.41Å
135	A	96.9	Very high	79	Confident	67 Å²	67	79.5 Å²	79.5	55%	0.554	49%	0.487	S	S	*	.			trans	-72.4	140	168.1	0	0	0	0	0	109.8	T151	A135-T151 PolarHBondContact O-N 3.32Å
136	F	97.6	Very high	82.1	Confident	78 Å²	78	73.1 Å²	73.1	34%	0.342	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	156.5	175.6	65.8	-94.3	0	0	0	111.4	L85 A88 L148 T149 V150	L85-F136 HydrophobicContact CB-CE2 4.1Å; L85-F136 HydrophobicContact CB-CZ 4.39Å; L85-F136 HydrophobicContact CD2-CB 4.21Å; L85-F136 HydrophobicContact CD2-CD1 3.95Å; L85-F136 HydrophobicContact CD2-CD2 3.54Å; L85-F136 HydrophobicContact CD2-CE1 4.17Å; L85-F136 HydrophobicContact CD2-CE2 3.76Å; L85-F136 HydrophobicContact CD2-CG 3.62Å; L85-F136 HydrophobicContact CD2-CZ 4.06Å; L85-F136 HydrophobicContact CG-CD2 4.4Å; L85-F136 HydrophobicContact CG-CE1 4.45Å; L85-F136 HydrophobicContact CG-CE2 4.12Å; L85-F136 HydrophobicContact CG-CZ 4.14Å; A88-F136 HydrophobicContact CB-CB 4.47Å; A88-F136 HydrophobicContact CB-CD1 3.93Å; F136-L148 HydrophobicContact CB-CD1 4.14Å; F136-L148 HydrophobicContact CD2-CD1 4.22Å; F136-T149 CarbonylContact C-O 3.53Å; F136-T149 WeakPolarHBondContact CA-O 3.42Å; F136-V150 HydrophobicContact CB-CG2 4.3Å
137	R	97.3	Very high	84.9	Confident	150 Å²	150	69.9 Å²	69.9	57%	0.566	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	140.9	174.3	-171.8	179.6	71.5	-151.8	0.3	108.9	D139 T149	R137-D139 WeakPolarHBondContact CD-OD1 3.33Å; R137-D139 IonicContact CZ-OD1 3.72Å; R137-D139 IonicContact CZ-OD2 3.22Å; R137-D139 IonicContact NE-OD1 2.9Å; R137-D139 PolarHBondContact NE-OD1 2.94Å; R137-D139 IonicContact NE-OD2 2.77Å; R137-D139 PolarHBondContact NE-OD2 3.07Å; R137-D139 IonicContact NH2-OD1 3.66Å; R137-D139 IonicContact NH2-OD2 2.64Å; R137-D139 PolarHBondContact NH2-OD2 2.81Å; R137-T149 PolarHBondContact N-O 2.83Å; R137-T149 PolarHBondContact O-N 2.87Å
138	V	97.1	Very high	87.7	Confident	74 Å²	74	66.1 Å²	66.1	45%	0.448	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.7	172.4	-178.6	0	0	0	0	107.7	S147 L148	V138-S147 CarbonylContact C-O 3.5Å; V138-S147 WeakPolarHBondContact CA-O 3.26Å; V138-L148 HydrophobicContact CG2-CD1 3.75Å
139	D	96.6	Very high	90.6	Very high	47 Å²	47	58.9 Å²	58.9	25%	0.251	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147	179.3	-60.9	-51.7	0	0	0	109.9	R137 S146 S147	R137-D139 WeakPolarHBondContact CD-OD1 3.33Å; R137-D139 IonicContact CZ-OD1 3.72Å; R137-D139 IonicContact CZ-OD2 3.22Å; R137-D139 IonicContact NE-OD1 2.9Å; R137-D139 PolarHBondContact NE-OD1 2.94Å; R137-D139 IonicContact NE-OD2 2.77Å; R137-D139 PolarHBondContact NE-OD2 3.07Å; R137-D139 IonicContact NH2-OD1 3.66Å; R137-D139 IonicContact NH2-OD2 2.64Å; R137-D139 PolarHBondContact NH2-OD2 2.81Å; D139-S146 CarbonylContact O-C 3.53Å; D139-S146 WeakPolarHBondContact O-CA 3.48Å; D139-S146 WeakPolarHBondContact O-CB 3.33Å; D139-S147 PolarHBondContact N-O 3.12Å; D139-S147 PolarHBondContact O-N 3.43Å
140	P	95	Very high	92.8	Very high	124 Å²	124	55.4 Å²	55.4	81%	0.805	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.5	142.7	170.5	-22.8	33.6	0	0	0	111.4
141	F	93.9	Very high	94.5	Very high	67 Å²	67	56.2 Å²	56.2	29%	0.294	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	-63.3	173.1	171.2	-126.5	0	0	0	110.5	A31 A33 Y144 G145	A31-F141 WeakPolarHBondContact O-CE1 3.28Å; A33-F141 HydrophobicContact CB-CB 4.32Å; A33-F141 HydrophobicContact CB-CD1 3.97Å; A33-F141 HydrophobicContact CB-CD2 3.64Å; A33-F141 HydrophobicContact CB-CE1 4.17Å; A33-F141 HydrophobicContact CB-CE2 3.85Å; A33-F141 HydrophobicContact CB-CG 3.7Å; A33-F141 HydrophobicContact CB-CZ 4.11Å; F141-Y144 HydrophobicContact CE1-CE2 4.11Å; F141-G145 PolarHBondContact N-O 3.35Å
142	T	93.6	Very high	95.4	Very high	30 Å²	30	53.5 Å²	53.5	18%	0.184	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	176.4	-178.7	59.2	0	0	0	0	110.3	Y144 G145	T142-Y144 VanDerWaalsContact CB-CE1 3.49Å; T142-Y144 HydrophobicContact CG2-CE1 3.8Å; T142-Y144 HydrophobicContact CG2-CE2 4.31Å; T142-Y144 PolarHBondContact O-N 2.79Å; T142-Y144 VanDerWaalsContact OG1-CD1 3.31Å; T142-Y144 WeakPolarHBondContact OG1-CD1 3.33Å; T142-Y144 VanDerWaalsContact OG1-CD2 3.23Å; T142-Y144 WeakPolarHBondContact OG1-CD2 3.41Å; T142-Y144 VanDerWaalsContact OG1-CE1 3.3Å; T142-Y144 WeakPolarHBondContact OG1-CE1 2.99Å; T142-Y144 VanDerWaalsContact OG1-CE2 3.23Å; T142-Y144 WeakPolarHBondContact OG1-CE2 3.31Å; T142-Y144 VanDerWaalsContact OG1-CG 3.27Å; T142-Y144 VanDerWaalsContact OG1-CZ 3.27Å; T142-Y144 PolarHBondContact OG1-N 3.24Å; T142-G145 PolarHBondContact N-O 3.4Å; T142-G145 VanDerWaalsContact N-O 3.16Å; T142-G145 PolarHBondContact O-N 3.46Å; T142-G145 PolarHBondContact OG1-N 3.03Å
143	D	90.8	Very high	95.6	Very high	126 Å²	126	51.7 Å²	51.7	67%	0.674	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-24	171.4	65.3	-40.3	0	0	0	112.7
144	Y	91	Very high	95.2	Very high	18 Å²	18	49.8 Å²	49.8	7%	0.071	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	6.9	176.8	58.7	-92.9	0	0	0	114.6	F141 T142 V199 R202 V430 N431	F141-Y144 HydrophobicContact CE1-CE2 4.11Å; T142-Y144 VanDerWaalsContact CB-CE1 3.49Å; T142-Y144 HydrophobicContact CG2-CE1 3.8Å; T142-Y144 HydrophobicContact CG2-CE2 4.31Å; T142-Y144 PolarHBondContact O-N 2.79Å; T142-Y144 VanDerWaalsContact OG1-CD1 3.31Å; T142-Y144 WeakPolarHBondContact OG1-CD1 3.33Å; T142-Y144 VanDerWaalsContact OG1-CD2 3.23Å; T142-Y144 WeakPolarHBondContact OG1-CD2 3.41Å; T142-Y144 VanDerWaalsContact OG1-CE1 3.3Å; T142-Y144 WeakPolarHBondContact OG1-CE1 2.99Å; T142-Y144 VanDerWaalsContact OG1-CE2 3.23Å; T142-Y144 WeakPolarHBondContact OG1-CE2 3.31Å; T142-Y144 VanDerWaalsContact OG1-CG 3.27Å; T142-Y144 VanDerWaalsContact OG1-CZ 3.27Å; T142-Y144 PolarHBondContact OG1-N 3.24Å; Y144-V199 HydrophobicContact CD2-CG2 3.77Å; Y144-V199 HydrophobicContact CE2-CG2 4.09Å; Y144-R202 WeakPolarHBondContact O-CD 3.41Å; Y144-V430 PolarHBondContact OH-O 2.93Å; Y144-N431 HydrophobicContact CD1-CB 3.61Å; Y144-N431 HydrophobicContact CE1-CB 3.95Å; Y144-N431 HydrophobicContact CG-CB 4.34Å
145	G	94.7	Very high	94.7	Very high	2 Å²	2	54.4 Å²	54.4	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	180	178.4	179.2	0	0	0	0	0	117.8	A79 F141 T142	A79-G145 WeakPolarHBondContact O-CA 3.33Å; F141-G145 PolarHBondContact N-O 3.35Å; T142-G145 PolarHBondContact N-O 3.4Å; T142-G145 VanDerWaalsContact N-O 3.16Å; T142-G145 PolarHBondContact O-N 3.46Å; T142-G145 PolarHBondContact OG1-N 3.03Å
146	S	96.6	Very high	94.3	Very high	10 Å²	10	52 Å²	52	7%	0.07	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	155.8	177.6	-57.9	0	0	0	0	110.3	A79 P81 D139	A79-S146 PolarHBondContact N-O 2.97Å; A79-S146 PolarHBondContact O-N 2.67Å; P81-S146 WeakPolarHBondContact CD-OG 3.47Å; D139-S146 CarbonylContact O-C 3.53Å; D139-S146 WeakPolarHBondContact O-CA 3.48Å; D139-S146 WeakPolarHBondContact O-CB 3.33Å
147	S	97.4	Very high	93.8	Very high	17 Å²	17	53.2 Å²	53.2	12%	0.119	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.7	174.4	178.2	0	0	0	0	109.7	V76 V138 D139	V76-S147 WeakPolarHBondContact CG1-OG 3.42Å; V138-S147 CarbonylContact C-O 3.5Å; V138-S147 WeakPolarHBondContact CA-O 3.26Å; D139-S147 PolarHBondContact N-O 3.12Å; D139-S147 PolarHBondContact O-N 3.43Å
148	L	98.4	Very high	93.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	107.3	173.6	170.8	63.3	0	0	0	109.5	V76 L77 A79 L85 F136 V138 V150 L166 P206	V76-L148 CarbonylContact C-O 3.58Å; V76-L148 WeakPolarHBondContact CA-O 3.5Å; L77-L148 HydrophobicContact CB-CB 4.37Å; L77-L148 HydrophobicContact CD1-CD2 4.31Å; L77-L148 PolarHBondContact N-O 2.76Å; L77-L148 PolarHBondContact O-N 3.03Å; A79-L148 HydrophobicContact CB-CB 4.01Å; L85-L148 HydrophobicContact CD2-CD1 3.53Å; L85-L148 HydrophobicContact CD2-CD2 3.86Å; L85-L148 HydrophobicContact CD2-CG 4.34Å; F136-L148 HydrophobicContact CB-CD1 4.14Å; F136-L148 HydrophobicContact CD2-CD1 4.22Å; V138-L148 HydrophobicContact CG2-CD1 3.75Å; L148-V150 HydrophobicContact CD1-CG2 4.46Å; L148-V150 HydrophobicContact CG-CG2 4.22Å; L148-L166 HydrophobicContact CD2-CD1 4.01Å; L148-P206 HydrophobicContact CD2-CB 3.7Å; L148-P206 HydrophobicContact CD2-CG 4.04Å
149	T	98.4	Very high	93.1	Very high	25 Å²	25	50.1 Å²	50.1	15%	0.153	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.8	175.4	-62.6	0	0	0	0	110.4	A74 F136 R137	A74-T149 HydrophobicContact CB-CG2 3.97Å; F136-T149 CarbonylContact C-O 3.53Å; F136-T149 WeakPolarHBondContact CA-O 3.42Å; R137-T149 PolarHBondContact N-O 2.83Å; R137-T149 PolarHBondContact O-N 2.87Å
150	V	98	Very high	92.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.7	173.2	-177.1	0	0	0	0	109	A74 L75 A88 L134 F136 L148 V164 L166	A74-V150 CarbonylContact C-O 3.59Å; A74-V150 VanDerWaalsContact CA-O 3.31Å; A74-V150 WeakPolarHBondContact CA-O 3.3Å; L75-V150 HydrophobicContact CB-CB 4.39Å; L75-V150 PolarHBondContact N-O 2.86Å; L75-V150 PolarHBondContact O-N 2.8Å; A88-V150 HydrophobicContact CB-CG1 4.13Å; L134-V150 HydrophobicContact CB-CG1 3.82Å; L134-V150 HydrophobicContact CD1-CG1 3.44Å; L134-V150 VanDerWaalsContact CD1-CG1 3.44Å; L134-V150 HydrophobicContact CG-CG1 4.29Å; F136-V150 HydrophobicContact CB-CG2 4.3Å; L148-V150 HydrophobicContact CD1-CG2 4.46Å; L148-V150 HydrophobicContact CG-CG2 4.22Å; V150-V164 HydrophobicContact CG1-CG1 4.47Å; V150-L166 HydrophobicContact CG2-CD2 4.25Å
151	T	97.4	Very high	92.8	Very high	74 Å²	74	49.9 Å²	49.9	45%	0.454	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	125.9	179.1	-57.9	0	0	0	0	109.7	L134 A135	L134-T151 WeakPolarHBondContact CD2-O 3.28Å; A135-T151 PolarHBondContact O-N 3.32Å
152	L	95.4	Very high	92.8	Very high	9 Å²	9	46.9 Å²	46.9	5%	0.047	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-100.5	153.7	-177.5	-64.4	179.7	0	0	0	112.2	F39 P72 R73 L75 L134 L156 F162 V164	F39-L152 HydrophobicContact CE1-CD1 3.61Å; F39-L152 HydrophobicContact CZ-CD1 3.48Å; F39-L152 VanDerWaalsContact CZ-CD1 3.48Å; P72-L152 HydrophobicContact CG-CD1 4.24Å; R73-L152 PolarHBondContact O-N 2.88Å; L75-L152 HydrophobicContact CB-CD1 4.01Å; L75-L152 HydrophobicContact CB-CD2 4.16Å; L75-L152 HydrophobicContact CB-CG 4.14Å; L134-L152 HydrophobicContact CD1-CD2 4.41Å; L152-L156 HydrophobicContact CB-CD1 3.89Å; L152-L156 HydrophobicContact CD1-CD1 3.83Å; L152-L156 HydrophobicContact CG-CD1 4.35Å; L152-F162 HydrophobicContact CD1-CZ 4.36Å; L152-F162 HydrophobicContact CD2-CE2 4.27Å; L152-V164 HydrophobicContact CD2-CG2 4.08Å
153	P	91.6	Very high	92.9	Very high	27 Å²	27	46 Å²	46	18%	0.175	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-60.4	139.9	172.8	-22.2	33.8	0	0	0	112	F90 E155 L156	F90-P153 HydrophobicContact CD1-CG 4.01Å; F90-P153 HydrophobicContact CD2-CG 4.08Å; F90-P153 HydrophobicContact CE1-CG 4.11Å; F90-P153 HydrophobicContact CE2-CG 4.19Å; F90-P153 HydrophobicContact CG-CG 3.99Å; F90-P153 HydrophobicContact CZ-CG 4.2Å; P153-E155 VanDerWaalsContact C-N 3.26Å; P153-E155 PolarHBondContact O-N 2.93Å; P153-L156 WeakPolarHBondContact O-CG 2.92Å
154	P	85.1	Confident	93.2	Very high	79 Å²	79	40 Å²	40	51%	0.513	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.2	-175.3	27.1	-32.4	0	0	0	113.9	A71 L156	A71-P154 WeakPolarHBondContact CB-O 3.26Å; P154-L156 VanDerWaalsContact C-N 3.26Å; P154-L156 PolarHBondContact O-N 3.08Å
155	E	85.9	Confident	93.5	Very high	118 Å²	118	39.8 Å²	39.8	55%	0.551	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	12.7	-175.9	-52.5	80.8	-172.7	0	0	114.4	P153 Q157	P153-E155 VanDerWaalsContact C-N 3.26Å; P153-E155 PolarHBondContact O-N 2.93Å; E155-Q157 PolarHBondContact O-N 3.34Å
156	L	88.3	Confident	93.7	Very high	17 Å²	17	39.7 Å²	39.7	9%	0.089	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-66.3	121.8	178.6	-72.8	178.9	0	0	0	111.8	A71 P72 F90 L152 P153 P154 F162	A71-L156 PolarHBondContact N-O 3.42Å; P72-L156 HydrophobicContact CG-CD1 4.24Å; F90-L156 HydrophobicContact CE2-CD2 3.88Å; F90-L156 HydrophobicContact CZ-CD2 3.92Å; L152-L156 HydrophobicContact CB-CD1 3.89Å; L152-L156 HydrophobicContact CD1-CD1 3.83Å; L152-L156 HydrophobicContact CG-CD1 4.35Å; P153-L156 WeakPolarHBondContact O-CG 2.92Å; P154-L156 VanDerWaalsContact C-N 3.26Å; P154-L156 PolarHBondContact O-N 3.08Å; L156-F162 HydrophobicContact CD1-CD1 4.41Å; L156-F162 HydrophobicContact CD1-CE1 4.02Å; L156-F162 HydrophobicContact CD1-CE2 4.36Å; L156-F162 HydrophobicContact CD1-CZ 4Å; L156-F162 HydrophobicContact CD2-CB 4.41Å; L156-F162 HydrophobicContact CD2-CD1 3.85Å; L156-F162 HydrophobicContact CD2-CE1 4.27Å; L156-F162 HydrophobicContact CD2-CG 4.06Å
157	Q	87.6	Confident	93.7	Very high	102 Å²	102	42 Å²	42	48%	0.477	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-85.4	149.4	174.2	-61.5	-61	-36.1	0	0	110.8	E155 Q160	E155-Q157 PolarHBondContact O-N 3.34Å; Q157-Q160 HydrophobicContact CB-CB 4.27Å; Q157-Q160 HydrophobicContact CB-CG 3.83Å
158	A	90	Very high	93.7	Very high	32 Å²	32	41.2 Å²	41.2	26%	0.264	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-60.2	140.5	172.3	0	0	0	0	0	110.4	A67 Q160	A67-A158 CarbonylContact O-C 3.34Å; A67-A158 WeakPolarHBondContact O-CA 3.5Å; A158-Q160 PolarHBondContact O-N 3.37Å
159	H	90.6	Very high	93.7	Very high	127 Å²	127	41.9 Å²	41.9	59%	0.588	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	2.4	176.7	-47.3	-64.6	0	0	0	116.4	C66 A67	C66-H159 PolarHBondContact SG-O 2.88Å; A67-H159 PolarHBondContact O-N 2.83Å
160	Q	91.5	Very high	93.5	Very high	118 Å²	118	40.7 Å²	40.7	55%	0.551	21%	0.213	S	C	*	.			trans	-79.4	131.6	171.8	-72.7	-166.8	-1	0	0	111.1	Q157 A158	Q157-Q160 HydrophobicContact CB-CB 4.27Å; Q157-Q160 HydrophobicContact CB-CG 3.83Å; A158-Q160 PolarHBondContact O-N 3.37Å
161	P	92.7	Very high	93.2	Very high	48 Å²	48	43.5 Å²	43.5	31%	0.312	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	138.8	179.1	29.8	-33.8	0	0	0	111.6	L65 A93	L65-P161 CarbonylContact O-C 3.54Å; L65-P161 VanDerWaalsContact O-CA 3.32Å; L65-P161 WeakPolarHBondContact O-CA 3.44Å; A93-P161 HydrophobicContact CB-CB 4.11Å; A93-P161 HydrophobicContact CB-CG 4.36Å
162	F	93.7	Very high	92.6	Very high	5 Å²	5	44 Å²	44	2%	0.022	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	170.2	170.1	65.6	-87	0	0	0	109.7	F39 L65 A67 F90 L152 L156 V164	F39-F162 HydrophobicContact CD1-CZ 4.01Å; F39-F162 AromaticContact CE1-CZ 3.88Å; F39-F162 HydrophobicContact CE1-CZ 3.88Å; L65-F162 HydrophobicContact CB-CD1 4.49Å; L65-F162 HydrophobicContact CB-CD2 4.36Å; L65-F162 HydrophobicContact CB-CE1 3.97Å; L65-F162 HydrophobicContact CB-CE2 3.83Å; L65-F162 HydrophobicContact CB-CZ 3.6Å; L65-F162 HydrophobicContact CD1-CE2 3.88Å; L65-F162 HydrophobicContact CD1-CZ 4.15Å; L65-F162 PolarHBondContact N-O 3.15Å; L65-F162 WeakPolarHBondContact O-CD1 3.42Å; L65-F162 PolarHBondContact O-N 2.97Å; A67-F162 HydrophobicContact CB-CE1 4.44Å; F90-F162 HydrophobicContact CD2-CD2 4.08Å; F90-F162 HydrophobicContact CE2-CB 3.64Å; F90-F162 AromaticContact CE2-CD2 3.63Å; F90-F162 HydrophobicContact CE2-CD2 3.63Å; F90-F162 AromaticContact CE2-CG 3.83Å; F90-F162 HydrophobicContact CE2-CG 3.83Å; F90-F162 HydrophobicContact CZ-CB 4.05Å; L152-F162 HydrophobicContact CD1-CZ 4.36Å; L152-F162 HydrophobicContact CD2-CE2 4.27Å; L156-F162 HydrophobicContact CD1-CD1 4.41Å; L156-F162 HydrophobicContact CD1-CE1 4.02Å; L156-F162 HydrophobicContact CD1-CE2 4.36Å; L156-F162 HydrophobicContact CD1-CZ 4Å; L156-F162 HydrophobicContact CD2-CB 4.41Å; L156-F162 HydrophobicContact CD2-CD1 3.85Å; L156-F162 HydrophobicContact CD2-CE1 4.27Å; L156-F162 HydrophobicContact CD2-CG 4.06Å; F162-V164 HydrophobicContact CD2-CG2 4.19Å; F162-V164 HydrophobicContact CE2-CG2 3.86Å
163	Q	95.9	Very high	92.3	Very high	12 Å²	12	44.1 Å²	44.1	6%	0.056	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.7	179.2	-78.7	166.8	-19.3	0	0	111.4	V62 L63 E64 F90 R91	V62-Q163 HydrophobicContact CG1-CB 4.09Å; V62-Q163 HydrophobicContact CG1-CG 3.92Å; L63-Q163 VanDerWaalsContact O-CA 3.26Å; L63-Q163 WeakPolarHBondContact O-CA 3.35Å; E64-Q163 HydrophobicContact CG-CG 3.92Å; E64-Q163 PolarHBondContact OE1-NE2 3.07Å; F90-Q163 WeakPolarHBondContact CA-O 3.36Å; R91-Q163 HydrophobicContact CB-CB 4.23Å; R91-Q163 PolarHBondContact N-O 3.24Å; R91-Q163 PolarHBondContact O-N 3.39Å
164	V	96.7	Very high	92.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.3	166.1	175.6	0	0	0	0	107.9	V62 L63 L65 L75 A89 L134 V150 L152 F162 L166	V62-V164 WeakPolarHBondContact CA-O 3.37Å; L63-V164 PolarHBondContact N-O 3.11Å; L63-V164 PolarHBondContact O-N 2.96Å; L65-V164 HydrophobicContact CD1-CB 4.4Å; L65-V164 HydrophobicContact CD1-CG2 4.05Å; L75-V164 HydrophobicContact CD2-CB 4.28Å; L75-V164 HydrophobicContact CD2-CG1 4.25Å; L75-V164 HydrophobicContact CD2-CG2 3.99Å; A89-V164 CarbonylContact O-C 3.55Å; A89-V164 WeakPolarHBondContact O-CA 3.37Å; L134-V164 HydrophobicContact CD1-CG1 4.4Å; L134-V164 HydrophobicContact CD1-CG2 4.41Å; V150-V164 HydrophobicContact CG1-CG1 4.47Å; L152-V164 HydrophobicContact CD2-CG2 4.08Å; F162-V164 HydrophobicContact CD2-CG2 4.19Å; F162-V164 HydrophobicContact CE2-CG2 3.86Å; V164-L166 HydrophobicContact CG1-CD2 3.83Å; V164-L166 HydrophobicContact CG1-CG 4.11Å
165	I	97.7	Very high	92.8	Very high	12 Å²	12	42 Å²	42	6%	0.062	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.3	-177	-54.1	167.6	0	0	0	107.8	L61 V62 A88 A89 R91	L61-I165 CarbonylContact O-C 3.59Å; L61-I165 WeakPolarHBondContact O-CA 3.02Å; V62-I165 HydrophobicContact CG1-CG1 4.23Å; V62-I165 HydrophobicContact CG2-CG1 4.1Å; V62-I165 HydrophobicContact CG2-CG2 4.26Å; A88-I165 CarbonylContact C-O 3.43Å; A88-I165 WeakPolarHBondContact CA-O 3.25Å; A89-I165 HydrophobicContact CB-CB 4.37Å; A89-I165 PolarHBondContact N-O 2.81Å; A89-I165 PolarHBondContact O-N 3.33Å; R91-I165 HydrophobicContact CB-CD1 4.34Å
166	L	97.9	Very high	93.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.4	-178.1	-59.4	-176.3	0	0	0	109.5	C60 L61 L77 L85 A88 L148 V150 V164 P206	C60-L166 CarbonylContact C-O 3.41Å; C60-L166 WeakPolarHBondContact CA-O 3.35Å; L61-L166 HydrophobicContact CB-CB 4.32Å; L61-L166 HydrophobicContact CD2-CD1 4.18Å; L61-L166 PolarHBondContact N-O 3.1Å; L61-L166 PolarHBondContact O-N 3.47Å; L77-L166 HydrophobicContact CD1-CD1 3.56Å; L85-L166 HydrophobicContact CD1-CB 3.84Å; L85-L166 HydrophobicContact CD1-CD2 4.26Å; L85-L166 HydrophobicContact CD1-CG 4.46Å; L85-L166 HydrophobicContact CD2-CD2 4.42Å; A88-L166 HydrophobicContact CB-CD2 3.51Å; L148-L166 HydrophobicContact CD2-CD1 4.01Å; V150-L166 HydrophobicContact CG2-CD2 4.25Å; V164-L166 HydrophobicContact CG1-CD2 3.83Å; V164-L166 HydrophobicContact CG1-CG 4.11Å; L166-P206 HydrophobicContact CD1-CB 4.08Å; L166-P206 HydrophobicContact CD1-CG 4.23Å
167	R	97.9	Very high	93.5	Very high	60 Å²	60	37.7 Å²	37.7	23%	0.226	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.4	174.5	-62.5	178.7	176.9	-97.1	0.4	109.4	G59 L85 H86 S87 L118 P119	G59-R167 WeakPolarHBondContact O-CA 3.14Å; L85-R167 WeakPolarHBondContact CD1-O 3.45Å; H86-R167 PolarHBondContact N-O 3.01Å; S87-R167 PolarHBondContact N-O 3.25Å; S87-R167 PolarHBondContact O-N 3.13Å; S87-R167 WeakPolarHBondContact OG-CB 3.46Å; S87-R167 WeakPolarHBondContact OG-CD 3.48Å; L118-R167 HydrophobicContact CD1-CB 3.99Å; P119-R167 PolarHBondContact O-NH1 3.29Å
168	Y	97.6	Very high	93.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	166.7	-171.7	63.5	-84.7	0	0	0	112.4	G59 L61 L83 R84 F204 F205	G59-Y168 PolarHBondContact N-O 2.7Å; G59-Y168 PolarHBondContact O-N 2.96Å; L61-Y168 HydrophobicContact CB-CE1 3.87Å; L83-Y168 HydrophobicContact CD1-CD2 3.66Å; L83-Y168 HydrophobicContact CD1-CE2 4Å; L83-Y168 HydrophobicContact CD1-CG 4.24Å; L83-Y168 HydrophobicContact CD2-CD2 4.12Å; L83-Y168 HydrophobicContact CD2-CG 4.03Å; L83-Y168 HydrophobicContact CG-CD2 3.77Å; L83-Y168 HydrophobicContact CG-CG 4.22Å; R84-Y168 CarbonylContact O-C 3.6Å; R84-Y168 WeakPolarHBondContact O-CA 3.45Å; R84-Y168 WeakPolarHBondContact O-CB 3.46Å; Y168-F204 VanDerWaalsContact CE2-O 3.26Å; Y168-F204 WeakPolarHBondContact CE2-O 3.27Å; Y168-F205 HydrophobicContact CE1-CB 4.34Å; Y168-F205 HydrophobicContact CE2-CB 4.38Å; Y168-F205 VanDerWaalsContact OH-CB 3.28Å; Y168-F205 WeakPolarHBondContact OH-CB 3.43Å
169	T	97.3	Very high	93.9	Very high	14 Å²	14	32 Å²	32	9%	0.086	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.3	164.6	52.3	0	0	0	0	109.1	E56 L57 A58 L83 R84 H86 L118	E56-T169 HydrophobicContact CG-CG2 4.37Å; L57-T169 CarbonylContact O-C 3.48Å; L57-T169 WeakPolarHBondContact O-CA 3.47Å; A58-T169 HydrophobicContact CB-CG2 4.4Å; L83-T169 WeakPolarHBondContact CA-O 3.22Å; R84-T169 PolarHBondContact N-O 3.32Å; R84-T169 PolarHBondContact O-N 2.75Å; H86-T169 VanDerWaalsContact NE2-CG2 3.33Å; H86-T169 WeakPolarHBondContact NE2-CG2 3.49Å; H86-T169 PolarHBondContact NE2-OG1 3.26Å; L118-T169 HydrophobicContact CD2-CG2 3.81Å
170	S	95	Very high	93.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	152.4	169.3	-165.9	0	0	0	0	109.9	E56 L57 S203	E56-S170 WeakPolarHBondContact CA-O 3.29Å; L57-S170 PolarHBondContact N-O 3.41Å; L57-S170 PolarHBondContact O-N 2.83Å; S170-S203 PolarHBondContact OG-O 3.2Å
171	T	90.8	Very high	93.9	Very high	59 Å²	59	25 Å²	25	36%	0.362	14%	0.138	S	C	.	.			trans	-124	-143	-177.1	55.3	0	0	0	0	110.4	R55 E56 A173 W178	R55-T171 VanDerWaalsContact O-CA 3.29Å; R55-T171 WeakPolarHBondContact O-CA 3.43Å; E56-T171 HydrophobicContact CG-CG2 4.47Å; T171-A173 PolarHBondContact O-N 2.84Å; T171-W178 PolarHBondContact O-NE1 2.9Å
172	D	85	Confident	93.7	Very high	86 Å²	86	28.5 Å²	28.5	46%	0.46	15%	0.15	S	C	.	.	S	Bend	trans	-60.9	106.6	166.9	-77.3	-24	0	0	0	108.6	R55	R55-D172 IonicContact NH1-OD2 3.17Å; R55-D172 PolarHBondContact NH1-OD2 3.3Å
173	A	90.1	Very high	93.5	Very high	11 Å²	11	28.8 Å²	28.8	9%	0.091	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-135.6	157.1	-169.7	0	0	0	0	0	110.3	A82 T171 A175 I176	A82-A173 HydrophobicContact CB-CB 3.72Å; T171-A173 PolarHBondContact O-N 2.84Å; A173-A175 PolarHBondContact O-N 2.84Å; A173-A175 VanDerWaalsContact O-N 3.12Å; A173-I176 HydrophobicContact CB-CB 4.47Å; A173-I176 HydrophobicContact CB-CG1 4.42Å; A173-I176 PolarHBondContact O-N 2.8Å
174	P	92	Very high	93.3	Very high	62 Å²	62	28.6 Å²	28.6	40%	0.403	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-38.1	-179.3	-30	35.8	0	0	0	114.8	H80 W177	H80-P174 VanDerWaalsContact CE1-CD 3.42Å; H80-P174 WeakPolarHBondContact CE1-CD 3.44Å; H80-P174 WeakPolarHBondContact NE2-CG 3.37Å; P174-W177 PolarHBondContact O-NE1 3.39Å
175	A	95.2	Very high	92.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-23.3	176.6	0	0	0	0	0	114.4	A173 T194 Q195 C200 S203 F204	A173-A175 PolarHBondContact O-N 2.84Å; A173-A175 VanDerWaalsContact O-N 3.12Å; A175-T194 CarbonylContact O-C 3.5Å; A175-T194 WeakPolarHBondContact O-CA 3.34Å; A175-Q195 WeakPolarHBondContact CA-O 3.45Å; A175-Q195 PolarHBondContact O-N 3.16Å; A175-C200 HydrophobicContact CB-CB 3.9Å; A175-C200 VanDerWaalsContact CB-O 3.23Å; A175-C200 WeakPolarHBondContact CB-O 3.49Å; A175-S203 VanDerWaalsContact CB-OG 3.27Å; A175-S203 WeakPolarHBondContact CB-OG 3.48Å; A175-S203 PolarHBondContact N-OG 2.88Å; A175-F204 HydrophobicContact CB-CB 4.04Å
176	I	94.9	Very high	92.1	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.036	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119	-169.3	-49.5	176.3	0	0	0	110	L57 A173 W178 V192 F204	L57-I176 HydrophobicContact CB-CD1 4.26Å; L57-I176 HydrophobicContact CD2-CD1 3.81Å; A173-I176 HydrophobicContact CB-CB 4.47Å; A173-I176 HydrophobicContact CB-CG1 4.42Å; A173-I176 PolarHBondContact O-N 2.8Å; I176-W178 HydrophobicContact CG2-CD2 4.45Å; I176-W178 HydrophobicContact CG2-CZ2 4.13Å; I176-V192 HydrophobicContact CG2-CG2 3.75Å; I176-F204 HydrophobicContact CD1-CD2 4.11Å; I176-F204 HydrophobicContact CG1-CD2 4.31Å
177	W	93.8	Very high	91.5	Very high	36 Å²	36	38 Å²	38	14%	0.136	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	105	-178.3	-69.9	70.5	0	0	0	110.2	P174 V192 F193 P323 H661 N663	P174-W177 PolarHBondContact O-NE1 3.39Å; W177-V192 VanDerWaalsContact O-CA 3.29Å; W177-V192 WeakPolarHBondContact O-CA 3.44Å; W177-F193 HydrophobicContact CB-CD1 4.07Å; W177-F193 HydrophobicContact CB-CD2 3.92Å; W177-F193 HydrophobicContact CB-CE1 3.64Å; W177-F193 HydrophobicContact CB-CE2 3.44Å; W177-F193 VanDerWaalsContact CB-CE2 3.44Å; W177-F193 HydrophobicContact CB-CG 4.2Å; W177-F193 HydrophobicContact CB-CZ 3.3Å; W177-F193 AromaticContact CD1-CE2 3.63Å; W177-F193 AromaticContact CD2-CE2 3.96Å; W177-F193 HydrophobicContact CD2-CE2 3.96Å; W177-F193 AromaticContact CD2-CZ 3.81Å; W177-F193 HydrophobicContact CD2-CZ 3.81Å; W177-F193 HydrophobicContact CE3-CZ 4.06Å; W177-F193 HydrophobicContact CG-CD2 4.16Å; W177-F193 HydrophobicContact CG-CE1 4.31Å; W177-F193 AromaticContact CG-CE2 3.37Å; W177-F193 HydrophobicContact CG-CE2 3.37Å; W177-F193 AromaticContact CG-CZ 3.48Å; W177-F193 HydrophobicContact CG-CZ 3.48Å; W177-F193 VanDerWaalsContact CG-CZ 3.48Å; W177-F193 PolarHBondContact N-O 3.09Å; W177-F193 PolarHBondContact O-N 3.02Å; W177-P323 HydrophobicContact CH2-CB 3.87Å; W177-P323 HydrophobicContact CH2-CG 4.13Å; W177-P323 HydrophobicContact CZ2-CB 3.8Å; W177-P323 HydrophobicContact CZ2-CG 3.65Å; W177-H661 AromaticContact CE3-CE1 3.49Å; W177-H661 VanDerWaalsContact CE3-CE1 3.49Å; W177-H661 AromaticContact CE3-NE2 3.67Å; W177-H661 AromaticContact CZ3-CE1 3.29Å; W177-H661 WeakPolarHBondContact CZ3-CE1 3.41Å; W177-H661 AromaticContact CZ3-ND1 3.59Å; W177-H661 AromaticContact CZ3-NE2 3.92Å; W177-N663 HydrophobicContact CH2-CB 4.33Å; W177-N663 WeakPolarHBondContact CH2-ND2 3.47Å; W177-N663 HydrophobicContact CZ3-CB 4.39Å; W177-N663 WeakPolarHBondContact CZ3-ND2 3.43Å
178	W	93.5	Very high	90.8	Very high	10 Å²	10	38.3 Å²	38.3	4%	0.038	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.7	173.4	-60.3	94.3	0	0	0	110.5	L50 P52 R55 E56 L57 T171 I176 V192	L50-W178 HydrophobicContact CD2-CH2 4.23Å; P52-W178 HydrophobicContact CB-CE3 4.47Å; P52-W178 HydrophobicContact CB-CZ3 4.08Å; P52-W178 HydrophobicContact CG-CZ3 4.18Å; R55-W178 VanDerWaalsContact C-CE2 3.46Å; R55-W178 HydrophobicContact CB-CB 4.26Å; R55-W178 HydrophobicContact CB-CD2 4.03Å; R55-W178 HydrophobicContact CB-CG 3.83Å; R55-W178 HydrophobicContact CG-CB 3.95Å; R55-W178 HydrophobicContact CG-CD2 4.39Å; R55-W178 HydrophobicContact CG-CG 4.04Å; R55-W178 PolarHBondContact O-NE1 2.82Å; E56-W178 VanDerWaalsContact C-CZ2 3.46Å; E56-W178 WeakPolarHBondContact O-CH2 3.45Å; L57-W178 HydrophobicContact CB-CZ2 4.24Å; T171-W178 PolarHBondContact O-NE1 2.9Å; I176-W178 HydrophobicContact CG2-CD2 4.45Å; I176-W178 HydrophobicContact CG2-CZ2 4.13Å; W178-V192 HydrophobicContact CD2-CB 4.4Å; W178-V192 HydrophobicContact CD2-CG2 3.98Å; W178-V192 HydrophobicContact CE3-CB 3.8Å; W178-V192 HydrophobicContact CE3-CG2 3.83Å; W178-V192 HydrophobicContact CH2-CG2 4.25Å; W178-V192 HydrophobicContact CZ2-CG2 4.38Å; W178-V192 HydrophobicContact CZ3-CB 3.93Å; W178-V192 HydrophobicContact CZ3-CG1 4.17Å; W178-V192 HydrophobicContact CZ3-CG2 3.95Å
179	L	92.4	Very high	90.4	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.4	178.6	-57.1	-178.7	0	0	0	110.7	L183 P190 F191 F193 P319 S321 H661	L179-L183 HydrophobicContact CB-CB 4.27Å; L179-L183 HydrophobicContact CD2-CB 4.36Å; L179-L183 HydrophobicContact CD2-CD1 4.22Å; L179-P190 WeakPolarHBondContact O-CA 2.97Å; L179-F191 HydrophobicContact CB-CB 4.13Å; L179-F191 WeakPolarHBondContact CB-O 3.31Å; L179-F191 HydrophobicContact CD1-CB 4.24Å; L179-F191 HydrophobicContact CD1-CD1 4.33Å; L179-F191 PolarHBondContact N-O 2.89Å; L179-F191 PolarHBondContact O-N 2.68Å; L179-F193 HydrophobicContact CD1-CD1 4.41Å; L179-F193 HydrophobicContact CD1-CE1 3.93Å; L179-F193 HydrophobicContact CG-CE1 4.31Å; L179-P319 HydrophobicContact CD1-CB 3.73Å; L179-P319 HydrophobicContact CD1-CG 3.61Å; L179-S321 WeakPolarHBondContact CD1-OG 3.29Å; L179-S321 VanDerWaalsContact CD2-OG 3.31Å; L179-S321 WeakPolarHBondContact CD2-OG 3.17Å; L179-H661 VanDerWaalsContact CD2-CD2 3.44Å; L179-H661 WeakPolarHBondContact CD2-CD2 3.46Å
180	D	90.6	Very high	90.1	Very high	55 Å²	55	43.8 Å²	43.8	29%	0.294	25%	0.254	S	S	.	.			trans	-66.3	155.9	166.9	-59.5	-38.5	0	0	0	110.1	R55 E182 L183	R55-D180 IonicContact CZ-OD1 3.72Å; R55-D180 IonicContact CZ-OD2 3.99Å; R55-D180 IonicContact NE-OD1 3.8Å; R55-D180 IonicContact NH2-OD1 2.77Å; R55-D180 PolarHBondContact NH2-OD1 2.86Å; R55-D180 IonicContact NH2-OD2 2.7Å; R55-D180 PolarHBondContact NH2-OD2 2.83Å; D180-E182 VanDerWaalsContact C-N 3.26Å; D180-E182 HydrophobicContact CB-CG 4.19Å; D180-E182 PolarHBondContact O-N 3.3Å; D180-E182 VanDerWaalsContact O-N 3.15Å; D180-L183 PolarHBondContact O-N 3.31Å
181	P	91	Very high	90.1	Very high	44 Å²	44	44 Å²	44	29%	0.286	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-49.1	-43.5	-179.7	-29.6	35.6	0	0	0	114	L183 T184 C187	P181-L183 PolarHBondContact O-N 3.26Å; P181-L183 VanDerWaalsContact O-N 3.09Å; P181-T184 WeakPolarHBondContact O-CB 3.28Å; P181-T184 PolarHBondContact O-N 3.01Å; P181-T184 PolarHBondContact O-OG1 2.78Å; P181-C187 CarbonylContact O-C 3.38Å; P181-C187 VanDerWaalsContact O-CA 3.22Å; P181-C187 WeakPolarHBondContact O-CA 3.44Å
182	E	89.6	Confident	90.3	Very high	121 Å²	121	41.3 Å²	41.3	57%	0.565	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-61.6	-15.1	179.3	60.7	-127.9	-137.2	0	0	115.8	D180	D180-E182 VanDerWaalsContact C-N 3.26Å; D180-E182 HydrophobicContact CB-CG 4.19Å; D180-E182 PolarHBondContact O-N 3.3Å; D180-E182 VanDerWaalsContact O-N 3.15Å
183	L	89.6	Confident	90.9	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.063	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-95.5	-3	177.3	-58.4	-179.7	0	0	0	112.7	L179 D180 P181 R659	L179-L183 HydrophobicContact CB-CB 4.27Å; L179-L183 HydrophobicContact CD2-CB 4.36Å; L179-L183 HydrophobicContact CD2-CD1 4.22Å; D180-L183 PolarHBondContact O-N 3.31Å; P181-L183 PolarHBondContact O-N 3.26Å; P181-L183 VanDerWaalsContact O-N 3.09Å; L183-R659 WeakPolarHBondContact CD2-O 3.49Å
184	T	90.3	Very high	91.2	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.049	21%	0.213	C	C	.	.	S	Bend	trans	-91.5	159.1	174.3	70	0	0	0	0	111.2	P181 G186 C187 K189 F191 E279	P181-T184 WeakPolarHBondContact O-CB 3.28Å; P181-T184 PolarHBondContact O-N 3.01Å; P181-T184 PolarHBondContact O-OG1 2.78Å; T184-G186 VanDerWaalsContact C-N 3.35Å; T184-C187 PolarHBondContact O-N 3.09Å; T184-C187 PolarHBondContact O-SG 3.3Å; T184-C187 PolarHBondContact OG1-N 3.37Å; T184-C187 VanDerWaalsContact OG1-N 3.1Å; T184-K189 VanDerWaalsContact CG2-O 3.29Å; T184-K189 WeakPolarHBondContact CG2-O 3.45Å; T184-F191 HydrophobicContact CG2-CB 3.65Å; T184-E279 WeakPolarHBondContact CB-OE2 3.42Å
185	Y	86.8	Confident	91.4	Very high	83 Å²	83	34.4 Å²	34.4	33%	0.325	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-39.7	176.8	-88.1	-97.2	0	0	0	112.3	C187 E279 L282 P320 S337	Y185-C187 PolarHBondContact O-N 3.1Å; Y185-E279 WeakPolarHBondContact CB-OE1 3.49Å; Y185-E279 PolarHBondContact N-OE1 2.93Å; Y185-E279 PolarHBondContact N-OE2 3.15Å; Y185-L282 HydrophobicContact CD1-CD1 4.2Å; Y185-L282 HydrophobicContact CD1-CD2 3.9Å; Y185-L282 HydrophobicContact CD1-CG 4.25Å; Y185-L282 HydrophobicContact CD2-CD1 3.74Å; Y185-L282 HydrophobicContact CE1-CD1 4.45Å; Y185-L282 HydrophobicContact CE1-CD2 3.99Å; Y185-L282 HydrophobicContact CE2-CD1 4.04Å; Y185-L282 HydrophobicContact CG-CD1 3.81Å; Y185-L282 HydrophobicContact CG-CD2 4.32Å; Y185-L282 HydrophobicContact CG-CG 4.17Å; Y185-P320 HydrophobicContact CD2-CG 4.33Å; Y185-P320 HydrophobicContact CE2-CG 3.42Å; Y185-P320 VanDerWaalsContact CE2-CG 3.42Å; Y185-S337 WeakPolarHBondContact CE2-OG 3.41Å; Y185-S337 PolarHBondContact OH-OG 3.33Å; Y185-S337 VanDerWaalsContact OH-OG 3.13Å
186	G	83.3	Confident	91.4	Very high	38 Å²	38	34.4 Å²	34.4	39%	0.392	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.7	179	0	0	0	0	0	113.5	T184 A188 E279	T184-G186 VanDerWaalsContact C-N 3.35Å; G186-A188 WeakPolarHBondContact O-CB 3.38Å; G186-A188 PolarHBondContact O-N 2.99Å; G186-A188 VanDerWaalsContact O-N 3.09Å; G186-E279 PolarHBondContact N-OE2 3.49Å
187	C	85.9	Confident	91.3	Very high	87 Å²	87	35.2 Å²	35.2	59%	0.588	20%	0.201	S	C	*	.	S	Bend	trans	54	24.7	-176.5	-67.2	0	0	0	0	113.8	P181 T184 Y185	P181-C187 CarbonylContact O-C 3.38Å; P181-C187 VanDerWaalsContact O-CA 3.22Å; P181-C187 WeakPolarHBondContact O-CA 3.44Å; T184-C187 PolarHBondContact O-N 3.09Å; T184-C187 PolarHBondContact O-SG 3.3Å; T184-C187 PolarHBondContact OG1-N 3.37Å; T184-C187 VanDerWaalsContact OG1-N 3.1Å; Y185-C187 PolarHBondContact O-N 3.1Å
188	A	82.3	Confident	91.2	Very high	67 Å²	67	33.5 Å²	33.5	55%	0.554	19%	0.194	S	C	*	.	S	Bend	trans	-121.8	-38.4	-160.5	0	0	0	0	0	115	G186	G186-A188 WeakPolarHBondContact O-CB 3.38Å; G186-A188 PolarHBondContact O-N 2.99Å; G186-A188 VanDerWaalsContact O-N 3.09Å
189	K	88.8	Confident	91.3	Very high	73 Å²	73	33.2 Å²	33.2	32%	0.317	19%	0.193	S	C	.	.	S	Bend	trans	-135.7	152.2	-175.3	-64.8	-167.2	-165.3	160.2	0	110.6	T184 G226 D264	T184-K189 VanDerWaalsContact CG2-O 3.29Å; T184-K189 WeakPolarHBondContact CG2-O 3.45Å; K189-G226 PolarHBondContact NZ-O 3.37Å; K189-G226 VanDerWaalsContact NZ-O 3.15Å; K189-D264 HydrophobicContact CB-CB 4.4Å; K189-D264 HydrophobicContact CD-CB 3.94Å; K189-D264 HydrophobicContact CG-CB 4.43Å; K189-D264 IonicContact NZ-OD1 3.4Å; K189-D264 PolarHBondContact NZ-OD1 2.89Å
190	P	91.3	Very high	91.5	Very high	56 Å²	56	34.2 Å²	34.2	36%	0.364	20%	0.201	S	C	.	.			trans	-63	154	171.4	28.9	-35.2	0	0	0	110.4	P52 L179	P52-P190 HydrophobicContact CB-CB 4.14Å; P52-P190 HydrophobicContact CB-CG 4.02Å; L179-P190 WeakPolarHBondContact O-CA 2.97Å
191	F	94.7	Very high	91.8	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.018	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.4	-179.3	-162.6	-75.2	0	0	0	109	L179 T184 F193 V261 A262 L265 L318 P319	L179-F191 HydrophobicContact CB-CB 4.13Å; L179-F191 WeakPolarHBondContact CB-O 3.31Å; L179-F191 HydrophobicContact CD1-CB 4.24Å; L179-F191 HydrophobicContact CD1-CD1 4.33Å; L179-F191 PolarHBondContact N-O 2.89Å; L179-F191 PolarHBondContact O-N 2.68Å; T184-F191 HydrophobicContact CG2-CB 3.65Å; F191-F193 HydrophobicContact CD1-CD1 4.04Å; F191-F193 HydrophobicContact CE1-CB 4.21Å; F191-F193 HydrophobicContact CE1-CD1 4.01Å; F191-V261 HydrophobicContact CD1-CG2 4.44Å; F191-V261 HydrophobicContact CE1-CG2 3.38Å; F191-V261 HydrophobicContact CZ-CG2 3.43Å; F191-V261 VanDerWaalsContact CZ-CG2 3.43Å; F191-A262 WeakPolarHBondContact CA-O 3.35Å; F191-L265 HydrophobicContact CE2-CD1 4.45Å; F191-L265 HydrophobicContact CE2-CD2 3.76Å; F191-L265 HydrophobicContact CE2-CG 4.07Å; F191-L265 HydrophobicContact CZ-CD1 4.35Å; F191-L265 HydrophobicContact CZ-CD2 4.07Å; F191-L265 HydrophobicContact CZ-CG 4.42Å; F191-L318 HydrophobicContact CE1-CD2 3.83Å; F191-L318 HydrophobicContact CZ-CD2 3.89Å; F191-P319 HydrophobicContact CD1-CG 4.16Å; F191-P319 HydrophobicContact CD2-CG 4.38Å; F191-P319 HydrophobicContact CE1-CG 4.3Å; F191-P319 HydrophobicContact CG-CG 4.21Å; F191-P319 HydrophobicContact CZ-CG 4.48Å
192	V	95.9	Very high	92.1	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.024	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.6	174.3	59.5	0	0	0	0	109.6	L50 I176 W177 W178 L260 V261 A262	L50-V192 HydrophobicContact CD1-CG1 4.34Å; L50-V192 HydrophobicContact CD2-CG1 4.26Å; I176-V192 HydrophobicContact CG2-CG2 3.75Å; W177-V192 VanDerWaalsContact O-CA 3.29Å; W177-V192 WeakPolarHBondContact O-CA 3.44Å; W178-V192 HydrophobicContact CD2-CB 4.4Å; W178-V192 HydrophobicContact CD2-CG2 3.98Å; W178-V192 HydrophobicContact CE3-CB 3.8Å; W178-V192 HydrophobicContact CE3-CG2 3.83Å; W178-V192 HydrophobicContact CH2-CG2 4.25Å; W178-V192 HydrophobicContact CZ2-CG2 4.38Å; W178-V192 HydrophobicContact CZ3-CB 3.93Å; W178-V192 HydrophobicContact CZ3-CG1 4.17Å; W178-V192 HydrophobicContact CZ3-CG2 3.95Å; V192-L260 HydrophobicContact CG1-CD2 4.41Å; V192-V261 CarbonylContact O-C 3.59Å; V192-V261 WeakPolarHBondContact O-CA 3.45Å; V192-A262 HydrophobicContact CG1-CB 3.71Å; V192-A262 PolarHBondContact N-O 2.92Å; V192-A262 PolarHBondContact O-N 2.65Å
193	F	97.1	Very high	92.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	159.8	170.1	63.9	-93	0	0	0	110.3	W177 L179 F191 L260 V261 L318 F322 F334	W177-F193 HydrophobicContact CB-CD1 4.07Å; W177-F193 HydrophobicContact CB-CD2 3.92Å; W177-F193 HydrophobicContact CB-CE1 3.64Å; W177-F193 HydrophobicContact CB-CE2 3.44Å; W177-F193 VanDerWaalsContact CB-CE2 3.44Å; W177-F193 HydrophobicContact CB-CG 4.2Å; W177-F193 HydrophobicContact CB-CZ 3.3Å; W177-F193 AromaticContact CD1-CE2 3.63Å; W177-F193 AromaticContact CD2-CE2 3.96Å; W177-F193 HydrophobicContact CD2-CE2 3.96Å; W177-F193 AromaticContact CD2-CZ 3.81Å; W177-F193 HydrophobicContact CD2-CZ 3.81Å; W177-F193 HydrophobicContact CE3-CZ 4.06Å; W177-F193 HydrophobicContact CG-CD2 4.16Å; W177-F193 HydrophobicContact CG-CE1 4.31Å; W177-F193 AromaticContact CG-CE2 3.37Å; W177-F193 HydrophobicContact CG-CE2 3.37Å; W177-F193 AromaticContact CG-CZ 3.48Å; W177-F193 HydrophobicContact CG-CZ 3.48Å; W177-F193 VanDerWaalsContact CG-CZ 3.48Å; W177-F193 PolarHBondContact N-O 3.09Å; W177-F193 PolarHBondContact O-N 3.02Å; L179-F193 HydrophobicContact CD1-CD1 4.41Å; L179-F193 HydrophobicContact CD1-CE1 3.93Å; L179-F193 HydrophobicContact CG-CE1 4.31Å; F191-F193 HydrophobicContact CD1-CD1 4.04Å; F191-F193 HydrophobicContact CE1-CB 4.21Å; F191-F193 HydrophobicContact CE1-CD1 4.01Å; F193-L260 CarbonylContact C-O 3.53Å; F193-L260 WeakPolarHBondContact CA-O 3.35Å; F193-V261 HydrophobicContact CB-CB 4.24Å; F193-V261 HydrophobicContact CB-CG2 4.03Å; F193-L318 HydrophobicContact CB-CD1 4.27Å; F193-L318 HydrophobicContact CB-CD2 4.2Å; F193-L318 HydrophobicContact CD2-CD1 4.07Å; F193-L318 HydrophobicContact CG-CD1 4.03Å; F193-L318 HydrophobicContact CG-CD2 4.5Å; F193-F322 AromaticContact CD2-CD2 3.96Å; F193-F322 HydrophobicContact CD2-CD2 3.96Å; F193-F322 HydrophobicContact CD2-CE2 4.29Å; F193-F322 AromaticContact CE2-CD2 3.53Å; F193-F322 HydrophobicContact CE2-CD2 3.53Å; F193-F322 HydrophobicContact CE2-CE2 4.15Å; F193-F322 HydrophobicContact CZ-CB 4.45Å; F193-F322 HydrophobicContact CZ-CD2 4.04Å; F193-F334 HydrophobicContact CB-CE2 4.3Å
194	T	97.3	Very high	92.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	149.7	173.8	62.6	0	0	0	0	112.4	A175 F204 A259 L260 F334	A175-T194 CarbonylContact O-C 3.5Å; A175-T194 WeakPolarHBondContact O-CA 3.34Å; T194-F204 HydrophobicContact CG2-CD1 4.35Å; T194-F204 HydrophobicContact CG2-CD2 4.27Å; T194-F204 HydrophobicContact CG2-CE1 4.35Å; T194-F204 HydrophobicContact CG2-CE2 4.25Å; T194-F204 HydrophobicContact CG2-CG 4.34Å; T194-F204 HydrophobicContact CG2-CZ 4.31Å; T194-A259 VanDerWaalsContact OG1-CA 3.32Å; T194-A259 WeakPolarHBondContact OG1-CA 3.16Å; T194-L260 HydrophobicContact CG2-CB 4.06Å; T194-L260 PolarHBondContact N-O 3.05Å; T194-L260 PolarHBondContact OG1-N 2.93Å; T194-L260 PolarHBondContact OG1-O 3.17Å; T194-F334 WeakPolarHBondContact O-CE2 3.12Å
195	Q	95.7	Very high	93.2	Very high	12 Å²	12	23 Å²	23	6%	0.056	14%	0.142	C	C	.	.			trans	-132	105.6	166.6	177.5	55.4	21.8	0	0	109.5	A175 C200 I324 M327	A175-Q195 WeakPolarHBondContact CA-O 3.45Å; A175-Q195 PolarHBondContact O-N 3.16Å; Q195-C200 VanDerWaalsContact O-CB 3.24Å; Q195-C200 WeakPolarHBondContact O-CB 3.29Å; Q195-I324 HydrophobicContact CG-CD1 4.45Å; Q195-I324 VanDerWaalsContact NE2-CD1 3.27Å; Q195-M327 PolarHBondContact NE2-SD 2.9Å
196	G	94.4	Very high	93.8	Very high	1 Å²	1	19 Å²	19	1%	0.01	13%	0.126	C	C	.	.			trans	-86.8	-33	-171.6	0	0	0	0	0	114.5	S198 C200 N201	G196-S198 CarbonylContact O-C 3.59Å; G196-C200 WeakPolarHBondContact O-CB 3.16Å; G196-C200 PolarHBondContact O-N 2.85Å; G196-N201 VanDerWaalsContact CA-CG 3.43Å; G196-N201 VanDerWaalsContact CA-OD1 3.22Å; G196-N201 WeakPolarHBondContact CA-OD1 3.44Å
197	H	93.3	Very high	94.5	Very high	24 Å²	24	17.4 Å²	17.4	11%	0.111	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	137.5	-177.5	-176.8	-90.7	0	0	0	112	Y256 M327 W368 M436	H197-Y256 HydrophobicContact CB-CD2 4.05Å; H197-Y256 AromaticContact CD2-CD2 3.88Å; H197-M327 HydrophobicContact CB-CE 3.75Å; H197-M327 HydrophobicContact CB-SD 3.7Å; H197-W368 AromaticContact CD2-CH2 3.67Å; H197-W368 AromaticContact CD2-CZ3 3.51Å; H197-W368 AromaticContact NE2-CH2 3.85Å; H197-W368 AromaticContact NE2-CZ3 3.2Å; H197-W368 WeakPolarHBondContact NE2-CZ3 3.28Å; H197-M436 VanDerWaalsContact CE1-SD 3.56Å
198	S	91.8	Very high	95.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.2	-51	-4.4	-52.5	0	0	0	0	111.9	G196 Y256 W368	G196-S198 CarbonylContact O-C 3.59Å; S198-Y256 WeakPolarHBondContact O-CB 3.38Å; S198-W368 VanDerWaalsContact C-CZ2 3.46Å; S198-W368 WeakPolarHBondContact O-CH2 3.27Å; S198-W368 WeakPolarHBondContact O-CZ2 3.32Å
199	V	95.6	Very high	95.8	Very high	3 Å²	3	10.4 Å²	10.4	2%	0.018	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	38	-172.7	-68.9	0	0	0	0	112.2	A31 Y144 R202 D209 W368 P432	A31-V199 HydrophobicContact CB-CG1 4.22Å; Y144-V199 HydrophobicContact CD2-CG2 3.77Å; Y144-V199 HydrophobicContact CE2-CG2 4.09Å; V199-R202 WeakPolarHBondContact O-CD 3.46Å; V199-R202 WeakPolarHBondContact O-CG 3.29Å; V199-R202 PolarHBondContact O-NE 3.11Å; V199-D209 WeakPolarHBondContact CA-OD2 3.44Å; V199-D209 VanDerWaalsContact O-OD2 3.04Å; V199-W368 HydrophobicContact CG1-CZ2 3.98Å; V199-P432 HydrophobicContact CG1-CG 4.19Å; V199-P432 HydrophobicContact CG2-CG 4.23Å
200	C	96.6	Very high	96.1	Very high	26 Å²	26	7.2 Å²	7.2	18%	0.176	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-26.2	-175.9	-64	0	0	0	0	111.7	A175 Q195 G196 R202 S203	A175-C200 HydrophobicContact CB-CB 3.9Å; A175-C200 VanDerWaalsContact CB-O 3.23Å; A175-C200 WeakPolarHBondContact CB-O 3.49Å; Q195-C200 VanDerWaalsContact O-CB 3.24Å; Q195-C200 WeakPolarHBondContact O-CB 3.29Å; G196-C200 WeakPolarHBondContact O-CB 3.16Å; G196-C200 PolarHBondContact O-N 2.85Å; C200-R202 PolarHBondContact O-N 2.81Å; C200-R202 VanDerWaalsContact O-N 3.16Å; C200-S203 WeakPolarHBondContact O-CB 3.49Å; C200-S203 PolarHBondContact O-N 3.15Å; C200-S203 PolarHBondContact O-OG 2.78Å
201	N	97.4	Very high	96.4	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-67.5	-16.7	-172.3	-92.9	-4.5	0	0	0	114.4	G196 S203 F204 F205 A255 V258	G196-N201 VanDerWaalsContact CA-CG 3.43Å; G196-N201 VanDerWaalsContact CA-OD1 3.22Å; G196-N201 WeakPolarHBondContact CA-OD1 3.44Å; N201-S203 PolarHBondContact O-N 3.14Å; N201-F204 WeakPolarHBondContact O-CA 3.38Å; N201-F204 WeakPolarHBondContact O-CB 3.19Å; N201-F204 PolarHBondContact O-N 2.79Å; N201-F205 HydrophobicContact CB-CE1 4.46Å; N201-F205 PolarHBondContact O-N 3.03Å; N201-A255 PolarHBondContact ND2-O 2.85Å; N201-V258 PolarHBondContact ND2-O 3.41Å
202	R	97.2	Very high	96.5	Very high	1 Å²	1	6.2 Å²	6.2	0%	0.004	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-53.9	-19.9	162.3	66	-173.3	65	-168.2	-3.9	114.6	A31 D78 A79 H80 Y144 V199 C200 F205 D209	A31-R202 PolarHBondContact O-NH1 2.77Å; A31-R202 PolarHBondContact O-NH2 2.79Å; D78-R202 HydrophobicContact CB-CB 3.8Å; D78-R202 IonicContact OD1-CZ 3.72Å; D78-R202 IonicContact OD1-NH1 2.78Å; D78-R202 IonicContact OD1-NH2 3.95Å; A79-R202 CarbonylContact C-O 3.49Å; A79-R202 VanDerWaalsContact CA-O 3.3Å; A79-R202 WeakPolarHBondContact CA-O 3.26Å; H80-R202 HydrophobicContact CB-CG 4.46Å; H80-R202 PolarHBondContact N-O 3.07Å; Y144-R202 WeakPolarHBondContact O-CD 3.41Å; V199-R202 WeakPolarHBondContact O-CD 3.46Å; V199-R202 WeakPolarHBondContact O-CG 3.29Å; V199-R202 PolarHBondContact O-NE 3.11Å; C200-R202 PolarHBondContact O-N 2.81Å; C200-R202 VanDerWaalsContact O-N 3.16Å; R202-F205 WeakPolarHBondContact CA-O 3.35Å; R202-D209 HydrophobicContact CB-CB 4.16Å; R202-D209 WeakPolarHBondContact CB-OD2 3.45Å; R202-D209 WeakPolarHBondContact CG-OD2 3.44Å; R202-D209 IonicContact CZ-OD2 3.68Å; R202-D209 PolarHBondContact N-OD2 3.13Å; R202-D209 VanDerWaalsContact N-OD2 3.16Å; R202-D209 IonicContact NE-OD2 3.88Å; R202-D209 PolarHBondContact NE-OD2 3.47Å; R202-D209 PolarHBondContact NH2-O 3.02Å; R202-D209 IonicContact NH2-OD2 2.91Å
203	S	96.9	Very high	96.5	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-96.4	-10.8	174.5	77.4	0	0	0	0	114.2	S170 A175 C200 N201	S170-S203 PolarHBondContact OG-O 3.2Å; A175-S203 VanDerWaalsContact CB-OG 3.27Å; A175-S203 WeakPolarHBondContact CB-OG 3.48Å; A175-S203 PolarHBondContact N-OG 2.88Å; C200-S203 WeakPolarHBondContact O-CB 3.49Å; C200-S203 PolarHBondContact O-N 3.15Å; C200-S203 PolarHBondContact O-OG 2.78Å; N201-S203 PolarHBondContact O-N 3.14Å
204	F	97.9	Very high	96.5	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.009	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-47.6	170	178.1	-149.3	0	0	0	110.8	L48 L57 Y168 A175 I176 T194 N201 V258 L260	L48-F204 HydrophobicContact CD1-CE2 3.97Å; L48-F204 HydrophobicContact CD1-CZ 3.75Å; L57-F204 HydrophobicContact CD2-CD2 3.44Å; L57-F204 VanDerWaalsContact CD2-CD2 3.44Å; L57-F204 HydrophobicContact CD2-CE2 3.37Å; Y168-F204 VanDerWaalsContact CE2-O 3.26Å; Y168-F204 WeakPolarHBondContact CE2-O 3.27Å; A175-F204 HydrophobicContact CB-CB 4.04Å; I176-F204 HydrophobicContact CD1-CD2 4.11Å; I176-F204 HydrophobicContact CG1-CD2 4.31Å; T194-F204 HydrophobicContact CG2-CD1 4.35Å; T194-F204 HydrophobicContact CG2-CD2 4.27Å; T194-F204 HydrophobicContact CG2-CE1 4.35Å; T194-F204 HydrophobicContact CG2-CE2 4.25Å; T194-F204 HydrophobicContact CG2-CG 4.34Å; T194-F204 HydrophobicContact CG2-CZ 4.31Å; N201-F204 WeakPolarHBondContact O-CA 3.38Å; N201-F204 WeakPolarHBondContact O-CB 3.19Å; N201-F204 PolarHBondContact O-N 2.79Å; F204-V258 HydrophobicContact CE1-CG1 4.14Å; F204-L260 HydrophobicContact CZ-CB 4.11Å; F204-L260 HydrophobicContact CZ-CD1 4.45Å
205	F	98.3	Very high	96.4	Very high	1 Å²	1	9.2 Å²	9.2	0%	0.004	6%	0.056	C	C	.	.	S	Bend	trans	-152.5	152	173	59.4	-86.1	0	0	0	110.8	L44 L46 L61 Y168 N201 R202 C207 V258	L44-F205 HydrophobicContact CD1-CD2 4.03Å; L44-F205 HydrophobicContact CD1-CE2 3.5Å; L44-F205 VanDerWaalsContact CD1-CE2 3.5Å; L44-F205 HydrophobicContact CD1-CZ 4.34Å; L44-F205 HydrophobicContact CD2-CE2 4.42Å; L46-F205 HydrophobicContact CD1-CD1 4.3Å; L46-F205 HydrophobicContact CD1-CE1 4.34Å; L46-F205 HydrophobicContact CD2-CB 4.07Å; L46-F205 HydrophobicContact CD2-CD1 4.34Å; L46-F205 HydrophobicContact CD2-CD2 4.36Å; L46-F205 HydrophobicContact CD2-CG 4.02Å; L61-F205 HydrophobicContact CD1-CD2 4.44Å; L61-F205 HydrophobicContact CD2-CD2 4.27Å; Y168-F205 HydrophobicContact CE1-CB 4.34Å; Y168-F205 HydrophobicContact CE2-CB 4.38Å; Y168-F205 VanDerWaalsContact OH-CB 3.28Å; Y168-F205 WeakPolarHBondContact OH-CB 3.43Å; N201-F205 HydrophobicContact CB-CE1 4.46Å; N201-F205 PolarHBondContact O-N 3.03Å; R202-F205 WeakPolarHBondContact CA-O 3.35Å; F205-C207 HydrophobicContact CD2-CB 3.68Å; F205-C207 HydrophobicContact CE2-CB 3.4Å; F205-C207 VanDerWaalsContact CE2-CB 3.4Å; F205-C207 HydrophobicContact CZ-CB 4.35Å; F205-C207 PolarHBondContact O-N 3.28Å; F205-V258 HydrophobicContact CE1-CB 4.05Å; F205-V258 HydrophobicContact CE1-CG1 4Å; F205-V258 HydrophobicContact CZ-CB 4.15Å; F205-V258 HydrophobicContact CZ-CG1 4.36Å; F205-V258 HydrophobicContact CZ-CG2 4.15Å
206	P	98.1	Very high	96.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.063	C	C	.	.			trans	-67.2	129.7	176.7	-17.2	32.4	0	0	0	111	L61 L77 D78 L83 L148 L166	L61-P206 WeakPolarHBondContact CD2-O 3.26Å; L77-P206 HydrophobicContact CB-CB 4.39Å; L77-P206 HydrophobicContact CD1-CB 4.09Å; D78-P206 CarbonylContact O-C 3.28Å; D78-P206 VanDerWaalsContact O-CA 3.28Å; D78-P206 WeakPolarHBondContact O-CA 3.23Å; L83-P206 HydrophobicContact CD1-CG 4.02Å; L83-P206 HydrophobicContact CD2-CG 3.89Å; L148-P206 HydrophobicContact CD2-CB 3.7Å; L148-P206 HydrophobicContact CD2-CG 4.04Å; L166-P206 HydrophobicContact CD1-CB 4.08Å; L166-P206 HydrophobicContact CD1-CG 4.23Å
207	C	98	Very high	96.8	Very high	4 Å²	4	10.2 Å²	10.2	3%	0.027	6%	0.063	C	C	.	.	B	Isolated β-bridge	trans	-153.9	174.2	-171.7	60.3	0	0	0	0	114	D78 F205 D209 A255	D78-C207 PolarHBondContact N-O 3.44Å; D78-C207 PolarHBondContact O-N 3.44Å; F205-C207 HydrophobicContact CD2-CB 3.68Å; F205-C207 HydrophobicContact CE2-CB 3.4Å; F205-C207 VanDerWaalsContact CE2-CB 3.4Å; F205-C207 HydrophobicContact CZ-CB 4.35Å; F205-C207 PolarHBondContact O-N 3.28Å; C207-D209 PolarHBondContact O-N 3.11Å; C207-A255 HydrophobicContact CB-CB 4.39Å
208	F	97.8	Very high	97	Very high	5 Å²	5	10.2 Å²	10.2	2%	0.022	7%	0.065	C	C	.	.			trans	-79.3	89.5	160.1	-62.3	-48	0	0	0	107	S34 A36 F39 L41 L65 L75 V76 L77 T210 V213	S34-F208 WeakPolarHBondContact OG-CD1 3.46Å; A36-F208 HydrophobicContact CB-CB 4.3Å; A36-F208 HydrophobicContact CB-CD1 3.9Å; A36-F208 HydrophobicContact CB-CE1 4.34Å; A36-F208 HydrophobicContact CB-CG 4.04Å; F39-F208 HydrophobicContact CB-CE2 4.38Å; F39-F208 HydrophobicContact CB-CZ 4.06Å; F39-F208 HydrophobicContact CD2-CZ 4.2Å; F39-F208 HydrophobicContact CG-CZ 4.44Å; L41-F208 HydrophobicContact CB-CD2 4.13Å; L41-F208 HydrophobicContact CB-CE2 4.13Å; L41-F208 HydrophobicContact CD2-CD2 4.07Å; L65-F208 HydrophobicContact CD2-CE2 3.84Å; L65-F208 HydrophobicContact CD2-CZ 4.25Å; L75-F208 HydrophobicContact CD1-CE1 3.78Å; L75-F208 HydrophobicContact CD1-CZ 3.5Å; V76-F208 WeakPolarHBondContact O-CE1 3.42Å; L77-F208 HydrophobicContact CD2-CD1 3.82Å; L77-F208 HydrophobicContact CD2-CE1 3.65Å; L77-F208 HydrophobicContact CD2-CG 4.39Å; L77-F208 HydrophobicContact CD2-CZ 4.1Å; F208-T210 PolarHBondContact O-N 2.74Å; F208-V213 HydrophobicContact CB-CB 4.08Å; F208-V213 HydrophobicContact CB-CG1 4.08Å; F208-V213 HydrophobicContact CB-CG2 3.97Å; F208-V213 HydrophobicContact CD2-CG1 4.06Å; F208-V213 HydrophobicContact CG-CG2 4.45Å
209	D	97.3	Very high	97.3	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	7%	0.066	C	C	.	.			trans	-88.5	60.9	-170.4	-159.5	19.5	0	0	0	111.1	D78 V199 R202 C207	D78-D209 HydrophobicContact CB-CB 3.69Å; D78-D209 PolarHBondContact OD2-N 2.75Å; V199-D209 WeakPolarHBondContact CA-OD2 3.44Å; V199-D209 VanDerWaalsContact O-OD2 3.04Å; R202-D209 HydrophobicContact CB-CB 4.16Å; R202-D209 WeakPolarHBondContact CB-OD2 3.45Å; R202-D209 WeakPolarHBondContact CG-OD2 3.44Å; R202-D209 IonicContact CZ-OD2 3.68Å; R202-D209 PolarHBondContact N-OD2 3.13Å; R202-D209 VanDerWaalsContact N-OD2 3.16Å; R202-D209 IonicContact NE-OD2 3.88Å; R202-D209 PolarHBondContact NE-OD2 3.47Å; R202-D209 PolarHBondContact NH2-O 3.02Å; R202-D209 IonicContact NH2-OD2 2.91Å; C207-D209 PolarHBondContact O-N 3.11Å
210	T	96.6	Very high	97.4	Very high	7 Å²	7	10.7 Å²	10.7	4%	0.043	7%	0.068	C	C	.	.	S	Bend	trans	-139	140.7	-179.6	175.6	0	0	0	0	109.2	D29 A36 F208 A212 V213	D29-T210 WeakPolarHBondContact CB-OG1 3.41Å; D29-T210 WeakPolarHBondContact OD2-CB 3.4Å; D29-T210 PolarHBondContact OD2-OG1 3.21Å; A36-T210 HydrophobicContact CB-CG2 4.43Å; F208-T210 PolarHBondContact O-N 2.74Å; T210-A212 HydrophobicContact CG2-CB 4.38Å; T210-A212 PolarHBondContact O-N 3Å; T210-A212 PolarHBondContact OG1-N 3.09Å; T210-V213 HydrophobicContact CG2-CB 4.25Å; T210-V213 HydrophobicContact CG2-CG2 3.8Å; T210-V213 PolarHBondContact O-N 3.33Å
211	P	96.8	Very high	97.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.5	-179	33	-36.9	0	0	0	112.7	D29 V213 Y256 T364 N365 W368 S476	D29-P211 WeakPolarHBondContact OD2-CD 3.43Å; P211-V213 PolarHBondContact O-N 2.88Å; P211-Y256 HydrophobicContact CB-CD1 4.27Å; P211-Y256 HydrophobicContact CB-CE1 3.93Å; P211-T364 HydrophobicContact CB-CG2 3.86Å; P211-N365 VanDerWaalsContact CB-O 3.24Å; P211-N365 WeakPolarHBondContact CB-O 3.35Å; P211-N365 WeakPolarHBondContact CG-O 3.48Å; P211-W368 HydrophobicContact CB-CZ2 4.49Å; P211-W368 HydrophobicContact CG-CD2 4.33Å; P211-W368 HydrophobicContact CG-CH2 4.44Å; P211-W368 HydrophobicContact CG-CZ2 4.14Å; P211-S476 PolarHBondContact O-OG 2.91Å
212	A	95.9	Very high	97.4	Very high	38 Å²	38	11.6 Å²	11.6	31%	0.314	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-25	171.6	0	0	0	0	0	113.6	T210 A366	T210-A212 HydrophobicContact CG2-CB 4.38Å; T210-A212 PolarHBondContact O-N 3Å; T210-A212 PolarHBondContact OG1-N 3.09Å; A212-A366 WeakPolarHBondContact CB-O 3.18Å; A212-A366 PolarHBondContact N-O 3.46Å
213	V	96.6	Very high	97.2	Very high	26 Å²	26	12.3 Å²	12.3	16%	0.158	8%	0.076	C	C	.	.			trans	-102.1	116.7	-178.5	177.7	0	0	0	0	110	A36 L41 F208 T210 P211 P254	A36-V213 HydrophobicContact CB-CG2 3.55Å; L41-V213 HydrophobicContact CB-CG1 4.27Å; L41-V213 HydrophobicContact CD2-CG1 4.22Å; F208-V213 HydrophobicContact CB-CB 4.08Å; F208-V213 HydrophobicContact CB-CG1 4.08Å; F208-V213 HydrophobicContact CB-CG2 3.97Å; F208-V213 HydrophobicContact CD2-CG1 4.06Å; F208-V213 HydrophobicContact CG-CG2 4.45Å; T210-V213 HydrophobicContact CG2-CB 4.25Å; T210-V213 HydrophobicContact CG2-CG2 3.8Å; T210-V213 PolarHBondContact O-N 3.33Å; P211-V213 PolarHBondContact O-N 2.88Å; V213-P254 WeakPolarHBondContact O-CA 3.3Å
214	K	96.9	Very high	96.9	Very high	27 Å²	27	15.1 Å²	15.1	12%	0.117	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.5	171.5	-64.7	-176.1	150.1	173.7	0	111.4	P252 V253 N361 A362 T364 F474 T475	K214-P252 HydrophobicContact CB-CB 3.92Å; K214-V253 WeakPolarHBondContact CA-O 3.48Å; K214-N361 PolarHBondContact NZ-O 3.28Å; K214-A362 PolarHBondContact NZ-O 3.18Å; K214-T364 WeakPolarHBondContact CE-OG1 3.46Å; K214-T364 PolarHBondContact NZ-OG1 3.33Å; K214-F474 WeakPolarHBondContact CD-O 3.07Å; K214-T475 PolarHBondContact NZ-O 2.89Å
215	C	96.6	Very high	96.5	Very high	16 Å²	16	20.9 Å²	20.9	11%	0.108	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	157.2	173.3	70.8	0	0	0	0	111.7	L41 P252 V253	L41-C215 HydrophobicContact CB-CB 4.43Å; L41-C215 HydrophobicContact CD2-CB 3.85Å; L41-C215 WeakPolarHBondContact CD2-SG 3.35Å; L41-C215 HydrophobicContact CG-CB 3.77Å; C215-P252 VanDerWaalsContact C-CA 3.48Å; C215-P252 WeakPolarHBondContact O-CA 3.32Å; C215-V253 PolarHBondContact N-O 3.27Å; C215-V253 PolarHBondContact O-N 3.25Å
216	T	98.1	Very high	95.9	Very high	33 Å²	33	23.2 Å²	23.2	20%	0.202	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	156.1	168	53.9	0	0	0	0	109.1	R42 H43 L44 M249 E250	R42-T216 PolarHBondContact O-OG1 2.96Å; H43-T216 WeakPolarHBondContact CA-O 3.33Å; H43-T216 VanDerWaalsContact ND1-C 3.34Å; H43-T216 PolarHBondContact ND1-O 2.87Å; H43-T216 VanDerWaalsContact ND1-O 3.09Å; H43-T216 PolarHBondContact ND1-OG1 3.12Å; L44-T216 PolarHBondContact N-O 3.46Å; L44-T216 VanDerWaalsContact N-O 3.08Å; T216-M249 VanDerWaalsContact CB-O 3.27Å; T216-M249 WeakPolarHBondContact CB-O 3.41Å; T216-E250 WeakPolarHBondContact CG2-O 3.37Å
217	Y	98.4	Very high	95.7	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	158.2	177.5	83.3	-92.7	0	0	0	113.7	H43 L44 A219 M231 S232 H248 M249 V253 V258	H43-Y217 VanDerWaalsContact CE1-CA 3.41Å; H43-Y217 WeakPolarHBondContact CE1-CA 3.42Å; L44-Y217 HydrophobicContact CD2-CG 4.48Å; L44-Y217 CarbonylContact O-C 3.13Å; L44-Y217 WeakPolarHBondContact O-CA 3.23Å; L44-Y217 WeakPolarHBondContact O-CB 3.4Å; Y217-A219 HydrophobicContact CE2-CB 4.36Å; Y217-M231 HydrophobicContact CE2-CE 4.01Å; Y217-S232 WeakPolarHBondContact CE1-O 3.32Å; Y217-S232 PolarHBondContact OH-O 2.9Å; Y217-S232 PolarHBondContact OH-OG 3.19Å; Y217-H248 PolarHBondContact O-ND1 3.13Å; Y217-M249 HydrophobicContact CD1-CB 3.37Å; Y217-M249 HydrophobicContact CD1-CG 3.79Å; Y217-M249 HydrophobicContact CE1-CB 3.25Å; Y217-M249 HydrophobicContact CE1-CG 3.71Å; Y217-M249 HydrophobicContact CG-CB 4.1Å; Y217-M249 PolarHBondContact N-O 2.84Å; Y217-M249 PolarHBondContact O-N 3.42Å; Y217-V253 HydrophobicContact CD1-CG2 4.05Å; Y217-V253 HydrophobicContact CE1-CG2 4.24Å; Y217-V258 HydrophobicContact CD1-CG2 4.13Å; Y217-V258 HydrophobicContact CE1-CG1 4.48Å; Y217-V258 HydrophobicContact CE1-CG2 4.19Å; Y217-V258 HydrophobicContact CE2-CG1 4.3Å
218	S	98.4	Very high	95.6	Very high	23 Å²	23	26.8 Å²	26.8	16%	0.161	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	150.1	167.9	51.3	0	0	0	0	109.7	H43 L44 Q45 L46 F247	H43-S218 PolarHBondContact NE2-N 3.27Å; H43-S218 PolarHBondContact NE2-OG 3.3Å; L44-S218 PolarHBondContact O-N 2.97Å; Q45-S218 CarbonylContact C-O 3.55Å; Q45-S218 WeakPolarHBondContact CA-O 3.33Å; L46-S218 PolarHBondContact N-O 3.05Å; S218-F247 CarbonylContact C-O 3.5Å; S218-F247 VanDerWaalsContact CA-O 3.3Å; S218-F247 WeakPolarHBondContact CA-O 3.35Å
219	A	98.1	Very high	95.6	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.5	176.6	0	0	0	0	0	111.7	L46 Y217 M231 H246 F247	L46-A219 HydrophobicContact CB-CB 4.02Å; L46-A219 CarbonylContact O-C 3.6Å; L46-A219 WeakPolarHBondContact O-CA 3.44Å; Y217-A219 HydrophobicContact CE2-CB 4.36Å; A219-M231 HydrophobicContact CB-CE 3.94Å; A219-M231 HydrophobicContact CB-SD 3.51Å; A219-M231 VanDerWaalsContact CB-SD 3.51Å; A219-H246 CarbonylContact O-C 3.55Å; A219-H246 WeakPolarHBondContact O-CA 3.25Å; A219-F247 HydrophobicContact CB-CB 4.25Å; A219-F247 HydrophobicContact CB-CD2 4.36Å; A219-F247 PolarHBondContact N-O 2.87Å; A219-F247 PolarHBondContact O-N 3Å
220	V	98.1	Very high	95.7	Very high	12 Å²	12	27 Å²	27	7%	0.073	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.9	167.1	-176	0	0	0	0	107.6	L46 G47 L48 F103 F105 V244 F245 H246	L46-V220 PolarHBondContact O-N 3Å; G47-V220 CarbonylContact C-O 3.58Å; G47-V220 WeakPolarHBondContact CA-O 3.33Å; L48-V220 PolarHBondContact N-O 3.2Å; F103-V220 HydrophobicContact CB-CB 4.34Å; F103-V220 HydrophobicContact CB-CG1 4.42Å; F103-V220 HydrophobicContact CD2-CB 3.64Å; F103-V220 HydrophobicContact CD2-CG2 3.54Å; F103-V220 HydrophobicContact CE2-CB 4.31Å; F103-V220 HydrophobicContact CE2-CG2 4.11Å; F103-V220 HydrophobicContact CG-CB 4.31Å; F105-V220 HydrophobicContact CE2-CG1 3.81Å; F105-V220 HydrophobicContact CZ-CG1 4.2Å; V220-V244 HydrophobicContact CG1-CB 3.89Å; V220-V244 HydrophobicContact CG1-CG1 4.39Å; V220-V244 HydrophobicContact CG1-CG2 3.87Å; V220-F245 CarbonylContact C-O 3.59Å; V220-F245 VanDerWaalsContact CA-O 3.28Å; V220-F245 WeakPolarHBondContact CA-O 3.45Å; V220-H246 WeakPolarHBondContact CG2-ND1 3.39Å
221	V	97.7	Very high	95.8	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.5	-175.2	-169.6	0	0	0	0	109.9	L48 L50 V229 M231 V244 F245 F247 L260	L48-V221 HydrophobicContact CB-CB 4.49Å; L48-V221 HydrophobicContact CB-CG1 4.17Å; L48-V221 HydrophobicContact CB-CG2 4.21Å; L48-V221 HydrophobicContact CD1-CG2 4.21Å; L48-V221 CarbonylContact O-C 3.54Å; L48-V221 WeakPolarHBondContact O-CA 3.44Å; L50-V221 HydrophobicContact CD1-CG1 4.04Å; L50-V221 HydrophobicContact CG-CG1 4.08Å; V221-V229 HydrophobicContact CB-CG1 4.09Å; V221-V229 HydrophobicContact CG1-CG1 3.91Å; V221-V229 HydrophobicContact CG1-CG2 4.3Å; V221-V229 HydrophobicContact CG2-CG1 4.32Å; V221-M231 HydrophobicContact CG2-SD 3.69Å; V221-V244 WeakPolarHBondContact O-CA 3.45Å; V221-F245 HydrophobicContact CB-CB 4.49Å; V221-F245 PolarHBondContact N-O 3.16Å; V221-F245 PolarHBondContact O-N 3.44Å; V221-F247 HydrophobicContact CB-CE2 4.31Å; V221-F247 HydrophobicContact CG2-CD2 4.07Å; V221-F247 HydrophobicContact CG2-CE2 3.84Å; V221-L260 HydrophobicContact CG1-CD1 4.14Å; V221-L260 HydrophobicContact CG2-CD1 4.1Å
222	K	95.8	Very high	95.9	Very high	46 Å²	46	27.1 Å²	27.1	20%	0.2	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.6	167.5	-176.4	177.1	172.1	-155	0	109.3	L48 E49 L50 F105 S106 V244	L48-K222 PolarHBondContact O-N 3.36Å; E49-K222 WeakPolarHBondContact CA-O 3.45Å; E49-K222 HydrophobicContact CB-CB 4.43Å; E49-K222 HydrophobicContact CG-CB 4.34Å; E49-K222 HydrophobicContact CG-CD 4.26Å; E49-K222 HydrophobicContact CG-CG 4.44Å; E49-K222 WeakPolarHBondContact OE1-CE 3.46Å; E49-K222 IonicContact OE1-NZ 2.84Å; E49-K222 PolarHBondContact OE1-NZ 3.21Å; L50-K222 PolarHBondContact N-O 2.95Å; F105-K222 HydrophobicContact CB-CD 3.55Å; F105-K222 HydrophobicContact CD1-CB 3.81Å; F105-K222 HydrophobicContact CD1-CD 3.66Å; F105-K222 HydrophobicContact CD1-CG 4.42Å; F105-K222 HydrophobicContact CD2-CB 4.33Å; F105-K222 HydrophobicContact CD2-CD 4.29Å; F105-K222 HydrophobicContact CE1-CB 3.71Å; F105-K222 HydrophobicContact CE1-CD 4.42Å; F105-K222 HydrophobicContact CE2-CB 4.26Å; F105-K222 HydrophobicContact CG-CB 4.12Å; F105-K222 HydrophobicContact CG-CD 3.57Å; F105-K222 HydrophobicContact CG-CG 4.48Å; F105-K222 HydrophobicContact CZ-CB 3.96Å; S106-K222 PolarHBondContact O-NZ 3.06Å; K222-V244 HydrophobicContact CB-CG1 4.01Å; K222-V244 HydrophobicContact CG-CG1 4.37Å
223	A	93.3	Very high	96	Very high	16 Å²	16	25.8 Å²	25.8	13%	0.132	17%	0.167	C	C	.	.			trans	-136.3	160.3	178.8	0	0	0	0	0	110.7	L50 V227 V229 F245	L50-A223 HydrophobicContact CD1-CB 4.07Å; A223-V227 HydrophobicContact CB-CB 4.35Å; A223-V227 HydrophobicContact CB-CG1 4.32Å; A223-V229 HydrophobicContact CB-CG2 3.55Å; A223-F245 HydrophobicContact CB-CE2 4.39Å
224	P	90.7	Very high	95.9	Very high	58 Å²	58	25.9 Å²	25.9	38%	0.377	17%	0.168	S	C	.	.			trans	-55.9	151.8	170.9	-24.6	34.9	0	0	0	112.4	P52 G226 V227	P52-P224 HydrophobicContact CG-CG 4.02Å; P224-G226 PolarHBondContact O-N 3.39Å; P224-V227 HydrophobicContact CB-CG2 4.14Å; P224-V227 WeakPolarHBondContact O-CB 3.49Å; P224-V227 PolarHBondContact O-N 2.85Å
225	S	88.4	Confident	95.8	Very high	124 Å²	124	31.5 Å²	31.5	87%	0.867	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	138.9	178.1	-172.6	0	0	0	0	111.6	V227	S225-V227 VanDerWaalsContact C-N 3.29Å; S225-V227 PolarHBondContact O-N 2.95Å
226	G	87.6	Confident	95.7	Very high	50 Å²	50	35 Å²	35	52%	0.515	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	8.9	179.3	0	0	0	0	0	115.4	K189 P224	K189-G226 PolarHBondContact NZ-O 3.37Å; K189-G226 VanDerWaalsContact NZ-O 3.15Å; P224-G226 PolarHBondContact O-N 3.39Å
227	V	92.6	Very high	95.5	Very high	22 Å²	22	35.8 Å²	35.8	13%	0.133	22%	0.223	C	C	.	.			trans	-98.2	124.3	169.1	176.8	0	0	0	0	108.9	A223 P224 S225 F245 A262	A223-V227 HydrophobicContact CB-CB 4.35Å; A223-V227 HydrophobicContact CB-CG1 4.32Å; P224-V227 HydrophobicContact CB-CG2 4.14Å; P224-V227 WeakPolarHBondContact O-CB 3.49Å; P224-V227 PolarHBondContact O-N 2.85Å; S225-V227 VanDerWaalsContact C-N 3.29Å; S225-V227 PolarHBondContact O-N 2.95Å; V227-F245 WeakPolarHBondContact O-CZ 3.41Å; V227-A262 HydrophobicContact CG1-CB 3.73Å
228	Q	96.6	Very high	95.3	Very high	56 Å²	56	41.2 Å²	41.2	26%	0.262	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	129.3	171.7	176.6	62.7	57.3	0	0	108.8	L230 A262 G263 L265 W277	Q228-L230 HydrophobicContact CG-CD2 4.15Å; Q228-L230 HydrophobicContact CG-CG 4.31Å; Q228-A262 WeakPolarHBondContact O-CA 3.31Å; Q228-G263 PolarHBondContact N-O 2.86Å; Q228-G263 PolarHBondContact O-N 3.4Å; Q228-G263 VanDerWaalsContact O-N 3.11Å; Q228-L265 HydrophobicContact CB-CB 4.09Å; Q228-L265 HydrophobicContact CG-CB 4.1Å; Q228-W277 HydrophobicContact CG-CE3 4.24Å; Q228-W277 HydrophobicContact CG-CZ3 3.9Å
229	V	98.1	Very high	94.9	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.9	173.5	-175.3	0	0	0	0	109.6	L50 V221 A223 F245 F247 L260 V261 A262	L50-V229 HydrophobicContact CD1-CG2 4.11Å; V221-V229 HydrophobicContact CB-CG1 4.09Å; V221-V229 HydrophobicContact CG1-CG1 3.91Å; V221-V229 HydrophobicContact CG1-CG2 4.3Å; V221-V229 HydrophobicContact CG2-CG1 4.32Å; A223-V229 HydrophobicContact CB-CG2 3.55Å; V229-F245 HydrophobicContact CB-CB 4.4Å; V229-F245 HydrophobicContact CB-CD1 4.18Å; V229-F245 HydrophobicContact CB-CD2 3.76Å; V229-F245 HydrophobicContact CB-CE1 4.41Å; V229-F245 HydrophobicContact CB-CE2 4.01Å; V229-F245 HydrophobicContact CB-CG 3.86Å; V229-F245 HydrophobicContact CB-CZ 4.33Å; V229-F245 HydrophobicContact CG2-CD2 3.6Å; V229-F245 HydrophobicContact CG2-CE2 3.6Å; V229-F245 HydrophobicContact CG2-CG 4.24Å; V229-F245 HydrophobicContact CG2-CZ 4.23Å; V229-F247 HydrophobicContact CB-CZ 4.36Å; V229-F247 HydrophobicContact CG1-CE2 4Å; V229-F247 HydrophobicContact CG1-CZ 3.97Å; V229-L260 HydrophobicContact CG1-CD1 4.38Å; V229-L260 HydrophobicContact CG1-CG 4.39Å; V229-V261 CarbonylContact C-O 3.47Å; V229-V261 WeakPolarHBondContact CA-O 3.23Å; V229-A262 HydrophobicContact CB-CB 4.46Å; V229-A262 HydrophobicContact CG2-CB 3.95Å
230	L	98.6	Very high	94.3	Very high	11 Å²	11	52.2 Å²	52.2	6%	0.058	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.6	172.4	-49.3	168.8	0	0	0	109.1	Q228 L260 V261 L265 W277 V316 L332	Q228-L230 HydrophobicContact CG-CD2 4.15Å; Q228-L230 HydrophobicContact CG-CG 4.31Å; L230-L260 WeakPolarHBondContact O-CA 3.3Å; L230-V261 HydrophobicContact CB-CG1 3.73Å; L230-V261 HydrophobicContact CD1-CG1 4.06Å; L230-V261 HydrophobicContact CG-CG1 4.27Å; L230-V261 PolarHBondContact N-O 2.93Å; L230-V261 PolarHBondContact O-N 3.49Å; L230-L265 HydrophobicContact CD1-CD1 3.79Å; L230-L265 HydrophobicContact CG-CD1 4.43Å; L230-W277 HydrophobicContact CD1-CB 3.71Å; L230-W277 HydrophobicContact CD1-CD2 3.54Å; L230-W277 HydrophobicContact CD1-CE3 3.92Å; L230-W277 HydrophobicContact CD1-CG 3.45Å; L230-W277 VanDerWaalsContact CD1-CG 3.45Å; L230-W277 HydrophobicContact CD2-CD2 3.83Å; L230-W277 HydrophobicContact CD2-CE3 3.91Å; L230-W277 HydrophobicContact CD2-CH2 3.77Å; L230-W277 HydrophobicContact CD2-CZ2 3.7Å; L230-W277 HydrophobicContact CD2-CZ3 3.87Å; L230-W277 HydrophobicContact CG-CD2 4.34Å; L230-W277 HydrophobicContact CG-CE3 4.46Å; L230-V316 HydrophobicContact CD1-CG2 4.39Å; L230-L332 HydrophobicContact CB-CD1 4.38Å; L230-L332 HydrophobicContact CB-CD2 3.42Å; L230-L332 VanDerWaalsContact CB-CD2 3.42Å; L230-L332 HydrophobicContact CD1-CD1 4.08Å; L230-L332 HydrophobicContact CD1-CD2 4.44Å
231	M	98.7	Very high	93.5	Very high	7 Å²	7	61.3 Å²	61.3	3%	0.034	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	161.2	173.1	-66.6	-169.6	70.5	0	0	110.6	Y217 A219 V221 A233 F247 V258 A259 L260	Y217-M231 HydrophobicContact CE2-CE 4.01Å; A219-M231 HydrophobicContact CB-CE 3.94Å; A219-M231 HydrophobicContact CB-SD 3.51Å; A219-M231 VanDerWaalsContact CB-SD 3.51Å; V221-M231 HydrophobicContact CG2-SD 3.69Å; M231-A233 VanDerWaalsContact C-N 3.25Å; M231-A233 PolarHBondContact O-N 2.88Å; M231-F247 HydrophobicContact CB-CB 4.41Å; M231-F247 HydrophobicContact CB-CD1 3.84Å; M231-F247 HydrophobicContact CB-CD2 4.15Å; M231-F247 HydrophobicContact CB-CE1 4.09Å; M231-F247 HydrophobicContact CB-CE2 4.37Å; M231-F247 HydrophobicContact CB-CG 3.87Å; M231-F247 HydrophobicContact CB-CZ 4.35Å; M231-F247 HydrophobicContact CG-CD1 4.35Å; M231-F247 HydrophobicContact CG-CD2 3.84Å; M231-F247 HydrophobicContact CG-CE1 4.35Å; M231-F247 HydrophobicContact CG-CE2 3.83Å; M231-F247 HydrophobicContact CG-CG 4.1Å; M231-F247 HydrophobicContact CG-CZ 4.1Å; M231-F247 HydrophobicContact SD-CB 4.47Å; M231-F247 HydrophobicContact SD-CD2 3.59Å; M231-F247 VanDerWaalsContact SD-CD2 3.59Å; M231-F247 HydrophobicContact SD-CE2 3.99Å; M231-F247 HydrophobicContact SD-CG 4.09Å; M231-V258 HydrophobicContact CE-CG1 4.15Å; M231-A259 WeakPolarHBondContact CA-O 3.31Å; M231-A259 VanDerWaalsContact CB-O 3.3Å; M231-A259 WeakPolarHBondContact CB-O 3.45Å; M231-A259 WeakPolarHBondContact CG-O 3.47Å; M231-L260 HydrophobicContact CE-CB 4.45Å; M231-L260 HydrophobicContact CG-CB 4.14Å; M231-L260 HydrophobicContact CG-CD1 4.29Å; M231-L260 HydrophobicContact CG-CG 4.26Å; M231-L260 HydrophobicContact SD-CD1 4.2Å
232	S	98.4	Very high	92.7	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.007	36%	0.362	C	S	.	.	S	Bend	trans	-73	70.8	177.7	53.1	0	0	0	0	112.9	Y217 M249 L257 A259 P330	Y217-S232 WeakPolarHBondContact CE1-O 3.32Å; Y217-S232 PolarHBondContact OH-O 2.9Å; Y217-S232 PolarHBondContact OH-OG 3.19Å; S232-M249 WeakPolarHBondContact O-CE 3.38Å; S232-L257 WeakPolarHBondContact CB-O 3.38Å; S232-L257 PolarHBondContact OG-O 3.2Å; S232-A259 PolarHBondContact N-O 3.34Å; S232-A259 PolarHBondContact OG-N 2.77Å; S232-P330 CarbonylContact C-O 3.58Å; S232-P330 VanDerWaalsContact C-O 3.28Å; S232-P330 WeakPolarHBondContact CA-O 3.21Å; S232-P330 VanDerWaalsContact CB-O 3.23Å; S232-P330 WeakPolarHBondContact CB-O 3.36Å
233	A	97.7	Very high	92.2	Very high	11 Å²	11	65.8 Å²	65.8	9%	0.091	36%	0.363	C	S	.	.			trans	-135	144	-168.4	0	0	0	0	0	112.2	M231 R235 F247 C331	M231-A233 VanDerWaalsContact C-N 3.25Å; M231-A233 PolarHBondContact O-N 2.88Å; A233-R235 VanDerWaalsContact C-N 3.29Å; A233-R235 PolarHBondContact O-N 3.43Å; A233-F247 HydrophobicContact CB-CB 3.8Å; A233-F247 HydrophobicContact CB-CD1 4.19Å; A233-F247 HydrophobicContact CB-CG 4.45Å; A233-C331 WeakPolarHBondContact O-CB 3.4Å
234	T	96.1	Very high	92.3	Very high	27 Å²	27	65 Å²	65	17%	0.166	36%	0.357	C	S	.	.	S	Bend	trans	-72.4	-24.6	177.9	60.5	0	0	0	0	112.7	H248 M249 E250	T234-H248 PolarHBondContact N-O 3.06Å; T234-H248 PolarHBondContact OG1-O 2.82Å; T234-M249 HydrophobicContact CG2-CE 4.19Å; T234-M249 HydrophobicContact CG2-SD 3.83Å; T234-E250 VanDerWaalsContact CB-OE1 3.31Å; T234-E250 WeakPolarHBondContact CB-OE1 3.47Å; T234-E250 HydrophobicContact CG2-CG 4.28Å; T234-E250 PolarHBondContact OG1-OE1 3.16Å
235	R	94.5	Very high	92.6	Very high	145 Å²	145	63.1 Å²	63.1	55%	0.547	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.2	177.8	-53.3	-179.6	-168.6	-177.7	4.1	110.2	A233 F247 H248 E250	A233-R235 VanDerWaalsContact C-N 3.29Å; A233-R235 PolarHBondContact O-N 3.43Å; R235-F247 CarbonylContact O-C 3.48Å; R235-F247 VanDerWaalsContact O-CA 3.31Å; R235-F247 WeakPolarHBondContact O-CA 3.19Å; R235-H248 HydrophobicContact CB-CB 4.29Å; R235-H248 PolarHBondContact N-O 3.38Å; R235-H248 PolarHBondContact O-N 2.89Å; R235-E250 IonicContact CZ-OE2 2.82Å; R235-E250 IonicContact NE-OE1 3.82Å; R235-E250 IonicContact NE-OE2 3.94Å; R235-E250 IonicContact NH2-OE2 3.99Å; R235-E250 PolarHBondContact NH2-OE2 2.91Å
236	S	94.9	Very high	93	Very high	89 Å²	89	60.2 Å²	60.2	62%	0.622	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.6	173.6	59.8	0	0	0	0	110.9	H246	S236-H246 CarbonylContact C-O 3.53Å; S236-H246 VanDerWaalsContact CA-O 3.25Å; S236-H246 WeakPolarHBondContact CA-O 3.44Å
237	A	94	Very high	93.5	Very high	50 Å²	50	58.4 Å²	58.4	41%	0.413	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.7	174.9	0	0	0	0	0	110.2	F245 H246	A237-F245 CarbonylContact O-C 3.58Å; A237-F245 WeakPolarHBondContact O-CA 3.48Å; A237-H246 PolarHBondContact N-O 3.4Å; A237-H246 PolarHBondContact O-N 3.16Å
238	Y	93.7	Very high	93.8	Very high	115 Å²	115	60.4 Å²	60.4	45%	0.451	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.5	170.5	177.9	-116.6	0	0	0	109.3	E240 V244 F245	Y238-E240 HydrophobicContact CD1-CB 4.41Å; Y238-E240 HydrophobicContact CE1-CB 3.95Å; Y238-E240 HydrophobicContact CE1-CG 4.21Å; Y238-V244 WeakPolarHBondContact CD2-O 3.36Å; Y238-F245 AromaticContact CD2-CD1 3.65Å; Y238-F245 HydrophobicContact CD2-CD1 3.65Å; Y238-F245 AromaticContact CD2-CD2 3.91Å; Y238-F245 HydrophobicContact CD2-CD2 3.91Å; Y238-F245 AromaticContact CD2-CE1 3.48Å; Y238-F245 HydrophobicContact CD2-CE1 3.48Å; Y238-F245 VanDerWaalsContact CD2-CE1 3.48Å; Y238-F245 AromaticContact CD2-CE2 3.74Å; Y238-F245 HydrophobicContact CD2-CE2 3.74Å; Y238-F245 AromaticContact CD2-CG 3.86Å; Y238-F245 HydrophobicContact CD2-CG 3.86Å; Y238-F245 AromaticContact CD2-CZ 3.53Å; Y238-F245 HydrophobicContact CD2-CZ 3.53Å; Y238-F245 HydrophobicContact CE2-CD2 4.17Å; Y238-F245 HydrophobicContact CE2-CE1 4.19Å; Y238-F245 AromaticContact CE2-CE2 3.73Å; Y238-F245 HydrophobicContact CE2-CE2 3.73Å; Y238-F245 AromaticContact CE2-CZ 3.74Å; Y238-F245 HydrophobicContact CE2-CZ 3.74Å; Y238-F245 HydrophobicContact CG-CD1 4.19Å; Y238-F245 AromaticContact CG-CE1 3.92Å; Y238-F245 HydrophobicContact CG-CE1 3.92Å; Y238-F245 HydrophobicContact CG-CZ 4.27Å
239	M	90.3	Very high	93.8	Very high	91 Å²	91	57.7 Å²	57.7	45%	0.448	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	94.9	179.2	-61.4	-69	-97	0	0	108.1	E241 E242 G243 V244 H246	M239-E241 VanDerWaalsContact C-N 3.3Å; M239-E241 PolarHBondContact O-N 3.06Å; M239-E242 HydrophobicContact CB-CB 4.34Å; M239-E242 PolarHBondContact O-N 2.67Å; M239-G243 PolarHBondContact O-N 3.04Å; M239-V244 HydrophobicContact CB-CG2 4.36Å; M239-V244 PolarHBondContact N-O 3.37Å; M239-V244 PolarHBondContact O-N 2.86Å; M239-H246 VanDerWaalsContact CG-CD2 3.44Å; M239-H246 WeakPolarHBondContact CG-CD2 3.37Å
240	E	85.3	Confident	93.7	Very high	164 Å²	164	61.2 Å²	61.2	77%	0.766	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-37.3	-173.4	-171.4	171.5	-169.4	0	0	112.8	Y238 E242 G243	Y238-E240 HydrophobicContact CD1-CB 4.41Å; Y238-E240 HydrophobicContact CE1-CB 3.95Å; Y238-E240 HydrophobicContact CE1-CG 4.21Å; E240-E242 VanDerWaalsContact C-N 3.27Å; E240-E242 PolarHBondContact O-N 3.36Å; E240-G243 PolarHBondContact O-N 3.24Å
241	E	81.6	Confident	93.6	Very high	203 Å²	203	62.7 Å²	62.7	95%	0.949	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-33.6	178.5	-63.2	-177.8	179.1	0	0	113	M239	M239-E241 VanDerWaalsContact C-N 3.3Å; M239-E241 PolarHBondContact O-N 3.06Å
242	E	79.3	Confident	93.6	Very high	117 Å²	117	64 Å²	64	55%	0.547	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-16.1	179.7	-66.8	-175.4	-168	0	0	112.3	M239 E240 V244 H246	M239-E242 HydrophobicContact CB-CB 4.34Å; M239-E242 PolarHBondContact O-N 2.67Å; E240-E242 VanDerWaalsContact C-N 3.27Å; E240-E242 PolarHBondContact O-N 3.36Å; E242-V244 VanDerWaalsContact C-N 3.31Å; E242-V244 HydrophobicContact CB-CG2 3.75Å; E242-H246 IonicContact OE2-NE2 3.57Å
243	G	86.7	Confident	93.5	Very high	23 Å²	23	64 Å²	64	24%	0.237	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	30.2	-175.2	0	0	0	0	0	113.5	M239 E240	M239-G243 PolarHBondContact O-N 3.04Å; E240-G243 PolarHBondContact O-N 3.24Å
244	V	94.3	Very high	93.6	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.4	-175.1	-57	0	0	0	0	113.2	F105 V220 V221 K222 Y238 M239 E242 H246	F105-V244 HydrophobicContact CD2-CG1 3.86Å; F105-V244 HydrophobicContact CE2-CG1 3.79Å; V220-V244 HydrophobicContact CG1-CB 3.89Å; V220-V244 HydrophobicContact CG1-CG1 4.39Å; V220-V244 HydrophobicContact CG1-CG2 3.87Å; V221-V244 WeakPolarHBondContact O-CA 3.45Å; K222-V244 HydrophobicContact CB-CG1 4.01Å; K222-V244 HydrophobicContact CG-CG1 4.37Å; Y238-V244 WeakPolarHBondContact CD2-O 3.36Å; M239-V244 HydrophobicContact CB-CG2 4.36Å; M239-V244 PolarHBondContact N-O 3.37Å; M239-V244 PolarHBondContact O-N 2.86Å; E242-V244 VanDerWaalsContact C-N 3.31Å; E242-V244 HydrophobicContact CB-CG2 3.75Å; V244-H246 WeakPolarHBondContact CG2-NE2 3.47Å
245	F	97.3	Very high	93.6	Very high	17 Å²	17	62.9 Å²	62.9	8%	0.075	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.5	174.3	-61.3	-97.5	0	0	0	109.6	V220 V221 A223 V227 V229 A237 Y238 F247	V220-F245 CarbonylContact C-O 3.59Å; V220-F245 VanDerWaalsContact CA-O 3.28Å; V220-F245 WeakPolarHBondContact CA-O 3.45Å; V221-F245 HydrophobicContact CB-CB 4.49Å; V221-F245 PolarHBondContact N-O 3.16Å; V221-F245 PolarHBondContact O-N 3.44Å; A223-F245 HydrophobicContact CB-CE2 4.39Å; V227-F245 WeakPolarHBondContact O-CZ 3.41Å; V229-F245 HydrophobicContact CB-CB 4.4Å; V229-F245 HydrophobicContact CB-CD1 4.18Å; V229-F245 HydrophobicContact CB-CD2 3.76Å; V229-F245 HydrophobicContact CB-CE1 4.41Å; V229-F245 HydrophobicContact CB-CE2 4.01Å; V229-F245 HydrophobicContact CB-CG 3.86Å; V229-F245 HydrophobicContact CB-CZ 4.33Å; V229-F245 HydrophobicContact CG2-CD2 3.6Å; V229-F245 HydrophobicContact CG2-CE2 3.6Å; V229-F245 HydrophobicContact CG2-CG 4.24Å; V229-F245 HydrophobicContact CG2-CZ 4.23Å; A237-F245 CarbonylContact O-C 3.58Å; A237-F245 WeakPolarHBondContact O-CA 3.48Å; Y238-F245 AromaticContact CD2-CD1 3.65Å; Y238-F245 HydrophobicContact CD2-CD1 3.65Å; Y238-F245 AromaticContact CD2-CD2 3.91Å; Y238-F245 HydrophobicContact CD2-CD2 3.91Å; Y238-F245 AromaticContact CD2-CE1 3.48Å; Y238-F245 HydrophobicContact CD2-CE1 3.48Å; Y238-F245 VanDerWaalsContact CD2-CE1 3.48Å; Y238-F245 AromaticContact CD2-CE2 3.74Å; Y238-F245 HydrophobicContact CD2-CE2 3.74Å; Y238-F245 AromaticContact CD2-CG 3.86Å; Y238-F245 HydrophobicContact CD2-CG 3.86Å; Y238-F245 AromaticContact CD2-CZ 3.53Å; Y238-F245 HydrophobicContact CD2-CZ 3.53Å; Y238-F245 HydrophobicContact CE2-CD2 4.17Å; Y238-F245 HydrophobicContact CE2-CE1 4.19Å; Y238-F245 AromaticContact CE2-CE2 3.73Å; Y238-F245 HydrophobicContact CE2-CE2 3.73Å; Y238-F245 AromaticContact CE2-CZ 3.74Å; Y238-F245 HydrophobicContact CE2-CZ 3.74Å; Y238-F245 HydrophobicContact CG-CD1 4.19Å; Y238-F245 AromaticContact CG-CE1 3.92Å; Y238-F245 HydrophobicContact CG-CE1 3.92Å; Y238-F245 HydrophobicContact CG-CZ 4.27Å; F245-F247 HydrophobicContact CB-CD2 4.37Å; F245-F247 HydrophobicContact CB-CE2 3.44Å; F245-F247 VanDerWaalsContact CB-CE2 3.44Å; F245-F247 HydrophobicContact CB-CZ 3.71Å; F245-F247 HydrophobicContact CG-CE2 4.5Å; F245-F247 HydrophobicContact CG-CZ 4.42Å
246	H	97.4	Very high	93.8	Very high	63 Å²	63	56.1 Å²	56.1	29%	0.292	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.2	173.6	-69.5	-100.6	0	0	0	110.4	A219 V220 S236 A237 M239 E242 V244	A219-H246 CarbonylContact O-C 3.55Å; A219-H246 WeakPolarHBondContact O-CA 3.25Å; V220-H246 WeakPolarHBondContact CG2-ND1 3.39Å; S236-H246 CarbonylContact C-O 3.53Å; S236-H246 VanDerWaalsContact CA-O 3.25Å; S236-H246 WeakPolarHBondContact CA-O 3.44Å; A237-H246 PolarHBondContact N-O 3.4Å; A237-H246 PolarHBondContact O-N 3.16Å; M239-H246 VanDerWaalsContact CG-CD2 3.44Å; M239-H246 WeakPolarHBondContact CG-CD2 3.37Å; E242-H246 IonicContact OE2-NE2 3.57Å; V244-H246 WeakPolarHBondContact CG2-NE2 3.47Å
247	F	98.2	Very high	94	Very high	12 Å²	12	51.9 Å²	51.9	5%	0.053	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146	177.7	-57.6	-82.9	0	0	0	110.8	S218 A219 V221 V229 M231 A233 R235 F245	S218-F247 CarbonylContact C-O 3.5Å; S218-F247 VanDerWaalsContact CA-O 3.3Å; S218-F247 WeakPolarHBondContact CA-O 3.35Å; A219-F247 HydrophobicContact CB-CB 4.25Å; A219-F247 HydrophobicContact CB-CD2 4.36Å; A219-F247 PolarHBondContact N-O 2.87Å; A219-F247 PolarHBondContact O-N 3Å; V221-F247 HydrophobicContact CB-CE2 4.31Å; V221-F247 HydrophobicContact CG2-CD2 4.07Å; V221-F247 HydrophobicContact CG2-CE2 3.84Å; V229-F247 HydrophobicContact CB-CZ 4.36Å; V229-F247 HydrophobicContact CG1-CE2 4Å; V229-F247 HydrophobicContact CG1-CZ 3.97Å; M231-F247 HydrophobicContact CB-CB 4.41Å; M231-F247 HydrophobicContact CB-CD1 3.84Å; M231-F247 HydrophobicContact CB-CD2 4.15Å; M231-F247 HydrophobicContact CB-CE1 4.09Å; M231-F247 HydrophobicContact CB-CE2 4.37Å; M231-F247 HydrophobicContact CB-CG 3.87Å; M231-F247 HydrophobicContact CB-CZ 4.35Å; M231-F247 HydrophobicContact CG-CD1 4.35Å; M231-F247 HydrophobicContact CG-CD2 3.84Å; M231-F247 HydrophobicContact CG-CE1 4.35Å; M231-F247 HydrophobicContact CG-CE2 3.83Å; M231-F247 HydrophobicContact CG-CG 4.1Å; M231-F247 HydrophobicContact CG-CZ 4.1Å; M231-F247 HydrophobicContact SD-CB 4.47Å; M231-F247 HydrophobicContact SD-CD2 3.59Å; M231-F247 VanDerWaalsContact SD-CD2 3.59Å; M231-F247 HydrophobicContact SD-CE2 3.99Å; M231-F247 HydrophobicContact SD-CG 4.09Å; A233-F247 HydrophobicContact CB-CB 3.8Å; A233-F247 HydrophobicContact CB-CD1 4.19Å; A233-F247 HydrophobicContact CB-CG 4.45Å; R235-F247 CarbonylContact O-C 3.48Å; R235-F247 VanDerWaalsContact O-CA 3.31Å; R235-F247 WeakPolarHBondContact O-CA 3.19Å; F245-F247 HydrophobicContact CB-CD2 4.37Å; F245-F247 HydrophobicContact CB-CE2 3.44Å; F245-F247 VanDerWaalsContact CB-CE2 3.44Å; F245-F247 HydrophobicContact CB-CZ 3.71Å; F245-F247 HydrophobicContact CG-CE2 4.5Å; F245-F247 HydrophobicContact CG-CZ 4.42Å
248	H	98.1	Very high	94.2	Very high	64 Å²	64	49.8 Å²	49.8	30%	0.296	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	129	172.8	-174.4	66.1	0	0	0	110.9	H43 Y217 T234 R235	H43-H248 AromaticContact CE1-CE1 3.97Å; Y217-H248 PolarHBondContact O-ND1 3.13Å; T234-H248 PolarHBondContact N-O 3.06Å; T234-H248 PolarHBondContact OG1-O 2.82Å; R235-H248 HydrophobicContact CB-CB 4.29Å; R235-H248 PolarHBondContact N-O 3.38Å; R235-H248 PolarHBondContact O-N 2.89Å
249	M	97.6	Very high	94.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	106.1	171.7	171.3	52.4	77.6	0	0	108.1	T216 Y217 S232 T234 H251 V253 W310 P330	T216-M249 VanDerWaalsContact CB-O 3.27Å; T216-M249 WeakPolarHBondContact CB-O 3.41Å; Y217-M249 HydrophobicContact CD1-CB 3.37Å; Y217-M249 HydrophobicContact CD1-CG 3.79Å; Y217-M249 HydrophobicContact CE1-CB 3.25Å; Y217-M249 HydrophobicContact CE1-CG 3.71Å; Y217-M249 HydrophobicContact CG-CB 4.1Å; Y217-M249 PolarHBondContact N-O 2.84Å; Y217-M249 PolarHBondContact O-N 3.42Å; S232-M249 WeakPolarHBondContact O-CE 3.38Å; T234-M249 HydrophobicContact CG2-CE 4.19Å; T234-M249 HydrophobicContact CG2-SD 3.83Å; M249-H251 VanDerWaalsContact C-N 3.34Å; M249-H251 WeakPolarHBondContact CG-O 3.43Å; M249-H251 HydrophobicContact SD-CB 4.03Å; M249-V253 HydrophobicContact CE-CG1 4.41Å; M249-V253 HydrophobicContact CG-CG1 4.17Å; M249-V253 HydrophobicContact CG-CG2 4.09Å; M249-V253 HydrophobicContact SD-CG1 4.2Å; M249-W310 HydrophobicContact CE-CE3 4.24Å; M249-W310 HydrophobicContact CE-CZ3 4.34Å; M249-W310 HydrophobicContact SD-CE3 4.27Å; M249-W310 HydrophobicContact SD-CZ3 4.14Å; M249-P330 HydrophobicContact CE-CB 3.73Å
250	E	95.9	Very high	94.8	Very high	75 Å²	75	40.1 Å²	40.1	35%	0.35	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-14.6	-175.6	73.1	-156.6	120.7	0	0	113.7	T216 T234 R235	T216-E250 WeakPolarHBondContact CG2-O 3.37Å; T234-E250 VanDerWaalsContact CB-OE1 3.31Å; T234-E250 WeakPolarHBondContact CB-OE1 3.47Å; T234-E250 HydrophobicContact CG2-CG 4.28Å; T234-E250 PolarHBondContact OG1-OE1 3.16Å; R235-E250 IonicContact CZ-OE2 2.82Å; R235-E250 IonicContact NE-OE1 3.82Å; R235-E250 IonicContact NE-OE2 3.94Å; R235-E250 IonicContact NH2-OE2 3.99Å; R235-E250 PolarHBondContact NH2-OE2 2.91Å
251	H	96.4	Very high	95.4	Very high	41 Å²	41	32.3 Å²	32.3	19%	0.19	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	143.6	176.2	-62.3	-60.6	0	0	0	111	M249 V253 M309 W310 F474	M249-H251 VanDerWaalsContact C-N 3.34Å; M249-H251 WeakPolarHBondContact CG-O 3.43Å; M249-H251 HydrophobicContact SD-CB 4.03Å; H251-V253 PolarHBondContact O-N 2.77Å; H251-M309 PolarHBondContact NE2-O 3.48Å; H251-W310 HydrophobicContact CB-CE3 4.22Å; H251-W310 HydrophobicContact CB-CH2 4.41Å; H251-W310 HydrophobicContact CB-CZ3 3.72Å; H251-F474 HydrophobicContact CB-CD1 4.22Å; H251-F474 HydrophobicContact CB-CE1 3.64Å; H251-F474 HydrophobicContact CB-CZ 4.09Å; H251-F474 AromaticContact CG-CE1 3.8Å; H251-F474 AromaticContact CG-CZ 3.73Å; H251-F474 AromaticContact ND1-CE1 3.83Å; H251-F474 AromaticContact ND1-CE2 3.86Å; H251-F474 AromaticContact ND1-CZ 3.32Å; H251-F474 VanDerWaalsContact ND1-CZ 3.32Å; H251-F474 WeakPolarHBondContact ND1-CZ 3.43Å
252	P	97.4	Very high	96.2	Very high	34 Å²	34	22.8 Å²	22.8	22%	0.221	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	125.5	-179.2	34.2	-37.9	0	0	0	110.5	K214 C215 F474	K214-P252 HydrophobicContact CB-CB 3.92Å; C215-P252 VanDerWaalsContact C-CA 3.48Å; C215-P252 WeakPolarHBondContact O-CA 3.32Å; P252-F474 HydrophobicContact CG-CB 3.59Å; P252-F474 HydrophobicContact CG-CD1 4.12Å; P252-F474 HydrophobicContact CG-CG 3.97Å
253	V	97.9	Very high	97	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.018	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.2	-179.2	-63.5	0	0	0	0	110.4	K214 C215 Y217 M249 H251 L257 W310 P330	K214-V253 WeakPolarHBondContact CA-O 3.48Å; C215-V253 PolarHBondContact N-O 3.27Å; C215-V253 PolarHBondContact O-N 3.25Å; Y217-V253 HydrophobicContact CD1-CG2 4.05Å; Y217-V253 HydrophobicContact CE1-CG2 4.24Å; M249-V253 HydrophobicContact CE-CG1 4.41Å; M249-V253 HydrophobicContact CG-CG1 4.17Å; M249-V253 HydrophobicContact CG-CG2 4.09Å; M249-V253 HydrophobicContact SD-CG1 4.2Å; H251-V253 PolarHBondContact O-N 2.77Å; V253-L257 HydrophobicContact CB-CB 4.4Å; V253-W310 HydrophobicContact CG1-CH2 4.05Å; V253-W310 HydrophobicContact CG1-CZ3 3.76Å; V253-P330 HydrophobicContact CG1-CG 4.09Å
254	P	97.9	Very high	97.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	157.3	171.1	31.9	-38	0	0	0	111.4	V213 Y256 L257 T364	V213-P254 WeakPolarHBondContact O-CA 3.3Å; P254-Y256 HydrophobicContact CB-CD1 3.66Å; P254-Y256 HydrophobicContact CB-CE1 3.62Å; P254-Y256 HydrophobicContact CG-CD1 3.6Å; P254-Y256 HydrophobicContact CG-CE1 3.16Å; P254-Y256 HydrophobicContact CG-CG 4.45Å; P254-Y256 PolarHBondContact O-N 3.44Å; P254-L257 HydrophobicContact CG-CB 4.47Å; P254-L257 HydrophobicContact CG-CD1 3.85Å; P254-L257 HydrophobicContact CG-CG 3.95Å; P254-L257 PolarHBondContact O-N 2.81Å; P254-L257 VanDerWaalsContact O-N 3.15Å; P254-T364 HydrophobicContact CG-CG2 4.22Å
255	A	97.9	Very high	97.6	Very high	13 Å²	13	17.7 Å²	17.7	11%	0.107	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-57	-36.8	-175.5	0	0	0	0	0	112.8	N201 C207 L257 V258	N201-A255 PolarHBondContact ND2-O 2.85Å; C207-A255 HydrophobicContact CB-CB 4.39Å; A255-L257 PolarHBondContact O-N 2.94Å; A255-L257 VanDerWaalsContact O-N 3.14Å; A255-V258 PolarHBondContact O-N 2.56Å; A255-V258 VanDerWaalsContact O-N 3.11Å
256	Y	97.6	Very high	97.6	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.016	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-63	-19.2	-177.6	78.2	-99.5	0	0	0	114.4	H197 S198 P211 P254 M327 T364 W368	H197-Y256 HydrophobicContact CB-CD2 4.05Å; H197-Y256 AromaticContact CD2-CD2 3.88Å; S198-Y256 WeakPolarHBondContact O-CB 3.38Å; P211-Y256 HydrophobicContact CB-CD1 4.27Å; P211-Y256 HydrophobicContact CB-CE1 3.93Å; P254-Y256 HydrophobicContact CB-CD1 3.66Å; P254-Y256 HydrophobicContact CB-CE1 3.62Å; P254-Y256 HydrophobicContact CG-CD1 3.6Å; P254-Y256 HydrophobicContact CG-CE1 3.16Å; P254-Y256 HydrophobicContact CG-CG 4.45Å; P254-Y256 PolarHBondContact O-N 3.44Å; Y256-M327 HydrophobicContact CD2-CE 3.82Å; Y256-M327 HydrophobicContact CE2-CE 3.89Å; Y256-T364 HydrophobicContact CE1-CG2 4.05Å; Y256-W368 AromaticContact CD1-CH2 3.69Å; Y256-W368 HydrophobicContact CD1-CH2 3.69Å; Y256-W368 HydrophobicContact CD1-CZ2 4.31Å; Y256-W368 HydrophobicContact CE1-CH2 4.11Å; Y256-W368 HydrophobicContact CG-CH2 4.01Å
257	L	98.5	Very high	97.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-91.7	-2.5	178.6	-69	-176.2	0	0	0	114	S232 V253 P254 A255 A259 M327 E328 P330 N361	S232-L257 WeakPolarHBondContact CB-O 3.38Å; S232-L257 PolarHBondContact OG-O 3.2Å; V253-L257 HydrophobicContact CB-CB 4.4Å; P254-L257 HydrophobicContact CG-CB 4.47Å; P254-L257 HydrophobicContact CG-CD1 3.85Å; P254-L257 HydrophobicContact CG-CG 3.95Å; P254-L257 PolarHBondContact O-N 2.81Å; P254-L257 VanDerWaalsContact O-N 3.15Å; A255-L257 PolarHBondContact O-N 2.94Å; A255-L257 VanDerWaalsContact O-N 3.14Å; L257-A259 PolarHBondContact O-N 3.13Å; L257-M327 HydrophobicContact CD2-CE 3.58Å; L257-E328 HydrophobicContact CD2-CG 3.99Å; L257-P330 HydrophobicContact CB-CG 4.27Å; L257-P330 HydrophobicContact CD1-CG 3.78Å; L257-N361 HydrophobicContact CD1-CB 4.22Å; L257-N361 WeakPolarHBondContact CD1-OD1 3.3Å
258	V	98.6	Very high	97.6	Very high	6 Å²	6	21.9 Å²	21.9	4%	0.036	12%	0.117	C	C	.	.			trans	-76.4	111	172	-175.2	0	0	0	0	108	L46 N201 F204 F205 Y217 M231 A255	L46-V258 HydrophobicContact CD1-CG1 4.12Å; N201-V258 PolarHBondContact ND2-O 3.41Å; F204-V258 HydrophobicContact CE1-CG1 4.14Å; F205-V258 HydrophobicContact CE1-CB 4.05Å; F205-V258 HydrophobicContact CE1-CG1 4Å; F205-V258 HydrophobicContact CZ-CB 4.15Å; F205-V258 HydrophobicContact CZ-CG1 4.36Å; F205-V258 HydrophobicContact CZ-CG2 4.15Å; Y217-V258 HydrophobicContact CD1-CG2 4.13Å; Y217-V258 HydrophobicContact CE1-CG1 4.48Å; Y217-V258 HydrophobicContact CE1-CG2 4.19Å; Y217-V258 HydrophobicContact CE2-CG1 4.3Å; M231-V258 HydrophobicContact CE-CG1 4.15Å; A255-V258 PolarHBondContact O-N 2.56Å; A255-V258 VanDerWaalsContact O-N 3.11Å
259	A	98.5	Very high	97.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.008	13%	0.126	C	C	.	.			trans	-126.6	150	-174.7	0	0	0	0	0	111.8	T194 M231 S232 L257 N329 F334	T194-A259 VanDerWaalsContact OG1-CA 3.32Å; T194-A259 WeakPolarHBondContact OG1-CA 3.16Å; M231-A259 WeakPolarHBondContact CA-O 3.31Å; M231-A259 VanDerWaalsContact CB-O 3.3Å; M231-A259 WeakPolarHBondContact CB-O 3.45Å; M231-A259 WeakPolarHBondContact CG-O 3.47Å; S232-A259 PolarHBondContact N-O 3.34Å; S232-A259 PolarHBondContact OG-N 2.77Å; L257-A259 PolarHBondContact O-N 3.13Å; A259-N329 HydrophobicContact CB-CB 3.93Å; A259-N329 WeakPolarHBondContact CB-OD1 3.3Å; A259-F334 HydrophobicContact CB-CE1 4.45Å; A259-F334 HydrophobicContact CB-CE2 4.26Å; A259-F334 HydrophobicContact CB-CZ 3.95Å
260	L	98.6	Very high	97.7	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.9	175.5	179.4	149.7	0	0	0	109.4	L48 L50 V192 F193 T194 F204 V221 V229 L230 M231 A262	L48-L260 HydrophobicContact CD1-CD1 3.81Å; L50-L260 HydrophobicContact CD1-CD2 4.33Å; L50-L260 HydrophobicContact CD2-CD2 4.14Å; V192-L260 HydrophobicContact CG1-CD2 4.41Å; F193-L260 CarbonylContact C-O 3.53Å; F193-L260 WeakPolarHBondContact CA-O 3.35Å; T194-L260 HydrophobicContact CG2-CB 4.06Å; T194-L260 PolarHBondContact N-O 3.05Å; T194-L260 PolarHBondContact OG1-N 2.93Å; T194-L260 PolarHBondContact OG1-O 3.17Å; F204-L260 HydrophobicContact CZ-CB 4.11Å; F204-L260 HydrophobicContact CZ-CD1 4.45Å; V221-L260 HydrophobicContact CG1-CD1 4.14Å; V221-L260 HydrophobicContact CG2-CD1 4.1Å; V229-L260 HydrophobicContact CG1-CD1 4.38Å; V229-L260 HydrophobicContact CG1-CG 4.39Å; L230-L260 WeakPolarHBondContact O-CA 3.3Å; M231-L260 HydrophobicContact CE-CB 4.45Å; M231-L260 HydrophobicContact CG-CB 4.14Å; M231-L260 HydrophobicContact CG-CD1 4.29Å; M231-L260 HydrophobicContact CG-CG 4.26Å; M231-L260 HydrophobicContact SD-CD1 4.2Å; L260-A262 HydrophobicContact CD2-CB 4.49Å
261	V	98.5	Very high	97.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	140.1	166.5	60	0	0	0	0	109.3	F191 V192 F193 V229 L230 L265 V316 L318 L332 F334	F191-V261 HydrophobicContact CD1-CG2 4.44Å; F191-V261 HydrophobicContact CE1-CG2 3.38Å; F191-V261 HydrophobicContact CZ-CG2 3.43Å; F191-V261 VanDerWaalsContact CZ-CG2 3.43Å; V192-V261 CarbonylContact O-C 3.59Å; V192-V261 WeakPolarHBondContact O-CA 3.45Å; F193-V261 HydrophobicContact CB-CB 4.24Å; F193-V261 HydrophobicContact CB-CG2 4.03Å; V229-V261 CarbonylContact C-O 3.47Å; V229-V261 WeakPolarHBondContact CA-O 3.23Å; L230-V261 HydrophobicContact CB-CG1 3.73Å; L230-V261 HydrophobicContact CD1-CG1 4.06Å; L230-V261 HydrophobicContact CG-CG1 4.27Å; L230-V261 PolarHBondContact N-O 2.93Å; L230-V261 PolarHBondContact O-N 3.49Å; V261-L265 HydrophobicContact CG1-CD1 4.13Å; V261-L265 HydrophobicContact CG2-CD1 3.93Å; V261-V316 HydrophobicContact CG1-CG1 4.24Å; V261-V316 HydrophobicContact CG1-CG2 4.24Å; V261-L318 HydrophobicContact CG2-CD2 3.77Å; V261-L332 HydrophobicContact CG1-CD2 4.2Å; V261-F334 HydrophobicContact CB-CE1 4.3Å; V261-F334 HydrophobicContact CB-CE2 4.36Å; V261-F334 HydrophobicContact CB-CZ 3.71Å; V261-F334 HydrophobicContact CG1-CE1 3.96Å; V261-F334 HydrophobicContact CG1-CZ 3.85Å
262	A	97.6	Very high	97.8	Very high	2 Å²	2	24.2 Å²	24.2	2%	0.017	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	133.9	174.8	0	0	0	0	0	112	L50 F191 V192 V227 Q228 V229 L260	L50-A262 HydrophobicContact CD1-CB 3.52Å; F191-A262 WeakPolarHBondContact CA-O 3.35Å; V192-A262 HydrophobicContact CG1-CB 3.71Å; V192-A262 PolarHBondContact N-O 2.92Å; V192-A262 PolarHBondContact O-N 2.65Å; V227-A262 HydrophobicContact CG1-CB 3.73Å; Q228-A262 WeakPolarHBondContact O-CA 3.31Å; V229-A262 HydrophobicContact CB-CB 4.46Å; V229-A262 HydrophobicContact CG2-CB 3.95Å; L260-A262 HydrophobicContact CD2-CB 4.49Å
263	G	95.9	Very high	97.8	Very high	1 Å²	1	25 Å²	25	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-162.1	-177.9	0	0	0	0	0	112.8	Q228 L265	Q228-G263 PolarHBondContact N-O 2.86Å; Q228-G263 PolarHBondContact O-N 3.4Å; Q228-G263 VanDerWaalsContact O-N 3.11Å; G263-L265 PolarHBondContact O-N 3.41Å
264	D	95.5	Very high	97.8	Very high	31 Å²	31	24.9 Å²	24.9	17%	0.166	15%	0.145	C	C	.	.	S	Bend	trans	-79.5	62.7	174.1	-159.7	33.4	0	0	0	111.6	K189 E279 P280	K189-D264 HydrophobicContact CB-CB 4.4Å; K189-D264 HydrophobicContact CD-CB 3.94Å; K189-D264 HydrophobicContact CG-CB 4.43Å; K189-D264 IonicContact NZ-OD1 3.4Å; K189-D264 PolarHBondContact NZ-OD1 2.89Å; D264-E279 WeakPolarHBondContact O-CA 3.38Å; D264-P280 WeakPolarHBondContact O-CD 3.49Å
265	L	97.3	Very high	97.8	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	16%	0.155	C	C	.	.			trans	-93.9	133.7	-176.3	-64.3	171.1	0	0	0	111.2	F191 Q228 L230 V261 G263 V316	F191-L265 HydrophobicContact CE2-CD1 4.45Å; F191-L265 HydrophobicContact CE2-CD2 3.76Å; F191-L265 HydrophobicContact CE2-CG 4.07Å; F191-L265 HydrophobicContact CZ-CD1 4.35Å; F191-L265 HydrophobicContact CZ-CD2 4.07Å; F191-L265 HydrophobicContact CZ-CG 4.42Å; Q228-L265 HydrophobicContact CB-CB 4.09Å; Q228-L265 HydrophobicContact CG-CB 4.1Å; L230-L265 HydrophobicContact CD1-CD1 3.79Å; L230-L265 HydrophobicContact CG-CD1 4.43Å; V261-L265 HydrophobicContact CG1-CD1 4.13Å; V261-L265 HydrophobicContact CG2-CD1 3.93Å; G263-L265 PolarHBondContact O-N 3.41Å; L265-V316 HydrophobicContact CD1-CG2 3.91Å; L265-V316 HydrophobicContact CD2-CG2 4.01Å
266	K	97.6	Very high	97.8	Very high	101 Å²	101	27.1 Å²	27.1	44%	0.439	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.3	174.2	-63.5	-59.6	178.7	-168.8	0	110.7	W277 A278 P280 L283	K266-W277 WeakPolarHBondContact O-CA 3.42Å; K266-A278 PolarHBondContact N-O 3Å; K266-A278 PolarHBondContact O-N 3.26Å; K266-P280 HydrophobicContact CG-CG 3.92Å; K266-L283 HydrophobicContact CB-CD2 3.84Å; K266-L283 WeakPolarHBondContact O-CD1 3.25Å
267	P	98.1	Very high	97.9	Very high	58 Å²	58	27.9 Å²	27.9	38%	0.377	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	147.9	178.2	32.3	-33.4	0	0	0	112.4	R275 V276 W277	P267-R275 HydrophobicContact CB-CG 4.06Å; P267-V276 CarbonylContact C-O 3.57Å; P267-V276 WeakPolarHBondContact CA-O 3.45Å; P267-W277 HydrophobicContact CB-CD2 4.19Å; P267-W277 HydrophobicContact CB-CE3 3.81Å; P267-W277 HydrophobicContact CB-CH2 3.84Å; P267-W277 HydrophobicContact CB-CZ2 4.21Å; P267-W277 HydrophobicContact CB-CZ3 3.63Å; P267-W277 HydrophobicContact CG-CE3 4.43Å; P267-W277 HydrophobicContact CG-CH2 4.28Å; P267-W277 HydrophobicContact CG-CZ3 3.92Å
268	A	98.5	Very high	97.9	Very high	21 Å²	21	27.9 Å²	27.9	17%	0.174	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	123.7	158.8	0	0	0	0	0	109.9	I270 R275 V276 L283 T287	A268-I270 PolarHBondContact O-N 2.78Å; A268-R275 WeakPolarHBondContact O-CA 3.05Å; A268-R275 WeakPolarHBondContact O-CG 3.33Å; A268-V276 HydrophobicContact CB-CG1 3.94Å; A268-V276 PolarHBondContact N-O 3.09Å; A268-V276 PolarHBondContact O-N 2.97Å; A268-L283 HydrophobicContact CB-CD1 3.79Å; A268-L283 HydrophobicContact CB-CD2 4.22Å; A268-L283 HydrophobicContact CB-CG 4.09Å; A268-T287 HydrophobicContact CB-CG2 4.26Å; A268-T287 WeakPolarHBondContact CB-OG1 3.36Å
269	D	98.4	Very high	97.8	Very high	90 Å²	90	27.9 Å²	27.9	48%	0.481	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	131.7	174	-70.8	-46.4	0	0	0	109.8	R275 R312	D269-R275 VanDerWaalsContact CG-NH2 3.3Å; D269-R275 WeakPolarHBondContact OD1-CB 3.43Å; D269-R275 IonicContact OD1-CZ 3.13Å; D269-R275 VanDerWaalsContact OD1-CZ 3.26Å; D269-R275 IonicContact OD1-NE 3.75Å; D269-R275 PolarHBondContact OD1-NE 3.01Å; D269-R275 IonicContact OD1-NH2 3.81Å; D269-R275 PolarHBondContact OD1-NH2 3.21Å; D269-R275 IonicContact OD2-CZ 3.35Å; D269-R275 IonicContact OD2-NE 2.77Å; D269-R275 IonicContact OD2-NH2 2.79Å; D269-R275 PolarHBondContact OD2-NH2 3.36Å; D269-R312 IonicContact OD1-NH2 2.71Å; D269-R312 PolarHBondContact OD1-NH2 2.91Å; D269-R312 VanDerWaalsContact OD1-NH2 3.17Å
270	I	98.1	Very high	97.6	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-0.6	-176.9	52.8	166.3	0	0	0	112.1	A268 S274 V276 T287 L290 G292 V294	A268-I270 PolarHBondContact O-N 2.78Å; I270-S274 WeakPolarHBondContact CG1-O 3.32Å; I270-S274 PolarHBondContact N-O 3.3Å; I270-V276 HydrophobicContact CD1-CB 4.43Å; I270-V276 HydrophobicContact CG2-CB 4.38Å; I270-V276 HydrophobicContact CG2-CG1 3.9Å; I270-T287 HydrophobicContact CG2-CG2 4.09Å; I270-L290 HydrophobicContact CD1-CB 3.78Å; I270-L290 HydrophobicContact CD1-CD1 4.46Å; I270-G292 PolarHBondContact O-N 3.11Å; I270-V294 HydrophobicContact CD1-CB 4.27Å; I270-V294 HydrophobicContact CD1-CG2 3.67Å
271	G	97.4	Very high	97.4	Very high	25 Å²	25	34 Å²	34	26%	0.258	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	-179.9	179.3	0	0	0	0	0	111.4	R273 S274	G271-R273 PolarHBondContact O-N 2.91Å; G271-S274 PolarHBondContact N-O 2.85Å
272	P	97.6	Very high	97.3	Very high	107 Å²	107	35 Å²	35	70%	0.695	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.4	-177.1	27.2	-34	0	0	0	113.3	E295	P272-E295 HydrophobicContact CG-CG 3.84Å; P272-E295 WeakPolarHBondContact CG-OE2 2.89Å
273	R	97.6	Very high	97.3	Very high	52 Å²	52	36.3 Å²	36.3	20%	0.196	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.8	23.5	-177.8	58.1	-179	164.3	175.2	-3.8	112.9	G271 E295 L298 E302 R312 Y313	G271-R273 PolarHBondContact O-N 2.91Å; R273-E295 WeakPolarHBondContact CG-OE2 3.21Å; R273-E295 IonicContact CZ-OE1 3.8Å; R273-E295 IonicContact CZ-OE2 3.56Å; R273-E295 IonicContact NE-OE1 2.72Å; R273-E295 PolarHBondContact NE-OE1 2.94Å; R273-E295 IonicContact NE-OE2 2.63Å; R273-E295 PolarHBondContact NE-OE2 3.09Å; R273-E295 IonicContact NH2-OE1 3.7Å; R273-E295 PolarHBondContact NH2-OE1 3.21Å; R273-E295 IonicContact NH2-OE2 3.61Å; R273-L298 HydrophobicContact CG-CD1 4.49Å; R273-E302 IonicContact CZ-OE1 3.78Å; R273-E302 IonicContact CZ-OE2 2.85Å; R273-E302 IonicContact NH1-OE1 3.86Å; R273-E302 PolarHBondContact NH1-OE1 3.26Å; R273-E302 IonicContact NH1-OE2 3.26Å; R273-E302 PolarHBondContact NH1-OE2 2.89Å; R273-E302 IonicContact NH2-OE1 2.65Å; R273-E302 IonicContact NH2-OE2 3.27Å; R273-E302 PolarHBondContact NH2-OE2 3.24Å; R273-R312 VanDerWaalsContact O-CA 3.3Å; R273-R312 WeakPolarHBondContact O-CA 3.41Å; R273-Y313 PolarHBondContact O-N 2.78Å
274	S	98.3	Very high	97.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.1	-177.1	-61.3	0	0	0	0	112.1	I270 G271 V294 Y313	I270-S274 WeakPolarHBondContact CG1-O 3.32Å; I270-S274 PolarHBondContact N-O 3.3Å; G271-S274 PolarHBondContact N-O 2.85Å; S274-V294 WeakPolarHBondContact OG-CG1 3.15Å; S274-Y313 WeakPolarHBondContact CA-O 3.37Å; S274-Y313 WeakPolarHBondContact CB-O 3.44Å; S274-Y313 PolarHBondContact OG-O 3.18Å
275	R	98.1	Very high	97.4	Very high	59 Å²	59	42.1 Å²	42.1	22%	0.223	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	144.8	178.4	167.1	179.6	-68.7	-174.5	3.1	110.8	P267 A268 D269 W277 D314 I315	P267-R275 HydrophobicContact CB-CG 4.06Å; A268-R275 WeakPolarHBondContact O-CA 3.05Å; A268-R275 WeakPolarHBondContact O-CG 3.33Å; D269-R275 VanDerWaalsContact CG-NH2 3.3Å; D269-R275 WeakPolarHBondContact OD1-CB 3.43Å; D269-R275 IonicContact OD1-CZ 3.13Å; D269-R275 VanDerWaalsContact OD1-CZ 3.26Å; D269-R275 IonicContact OD1-NE 3.75Å; D269-R275 PolarHBondContact OD1-NE 3.01Å; D269-R275 IonicContact OD1-NH2 3.81Å; D269-R275 PolarHBondContact OD1-NH2 3.21Å; D269-R275 IonicContact OD2-CZ 3.35Å; D269-R275 IonicContact OD2-NE 2.77Å; D269-R275 IonicContact OD2-NH2 2.79Å; D269-R275 PolarHBondContact OD2-NH2 3.36Å; R275-W277 VanDerWaalsContact CD-CE2 3.45Å; R275-W277 VanDerWaalsContact CD-CZ2 3.43Å; R275-W277 HydrophobicContact CG-CZ2 4.43Å; R275-D314 WeakPolarHBondContact CB-OD1 3.28Å; R275-D314 PolarHBondContact N-OD1 3.21Å; R275-D314 VanDerWaalsContact N-OD1 3.13Å; R275-D314 CarbonylContact O-C 3.55Å; R275-D314 WeakPolarHBondContact O-CA 3.33Å; R275-D314 WeakPolarHBondContact O-CB 3.39Å; R275-I315 PolarHBondContact O-N 3.5Å
276	V	98.4	Very high	97.4	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	141.2	168.3	68.6	0	0	0	0	110.4	P267 A268 I270 L283 A286 I315 F317	P267-V276 CarbonylContact C-O 3.57Å; P267-V276 WeakPolarHBondContact CA-O 3.45Å; A268-V276 HydrophobicContact CB-CG1 3.94Å; A268-V276 PolarHBondContact N-O 3.09Å; A268-V276 PolarHBondContact O-N 2.97Å; I270-V276 HydrophobicContact CD1-CB 4.43Å; I270-V276 HydrophobicContact CG2-CB 4.38Å; I270-V276 HydrophobicContact CG2-CG1 3.9Å; V276-L283 HydrophobicContact CG1-CD1 3.9Å; V276-A286 HydrophobicContact CG2-CB 3.93Å; V276-I315 CarbonylContact C-O 3.51Å; V276-I315 VanDerWaalsContact CA-O 3.29Å; V276-I315 WeakPolarHBondContact CA-O 3.4Å; V276-F317 HydrophobicContact CG2-CD2 3.57Å; V276-F317 HydrophobicContact CG2-CE2 3.59Å
277	W	98.6	Very high	97.4	Very high	20 Å²	20	38.8 Å²	38.8	8%	0.076	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.8	172.2	-60.4	89.1	0	0	0	108.3	Q228 L230 K266 P267 R275 D314 I315 V316 F317	Q228-W277 HydrophobicContact CG-CE3 4.24Å; Q228-W277 HydrophobicContact CG-CZ3 3.9Å; L230-W277 HydrophobicContact CD1-CB 3.71Å; L230-W277 HydrophobicContact CD1-CD2 3.54Å; L230-W277 HydrophobicContact CD1-CE3 3.92Å; L230-W277 HydrophobicContact CD1-CG 3.45Å; L230-W277 VanDerWaalsContact CD1-CG 3.45Å; L230-W277 HydrophobicContact CD2-CD2 3.83Å; L230-W277 HydrophobicContact CD2-CE3 3.91Å; L230-W277 HydrophobicContact CD2-CH2 3.77Å; L230-W277 HydrophobicContact CD2-CZ2 3.7Å; L230-W277 HydrophobicContact CD2-CZ3 3.87Å; L230-W277 HydrophobicContact CG-CD2 4.34Å; L230-W277 HydrophobicContact CG-CE3 4.46Å; K266-W277 WeakPolarHBondContact O-CA 3.42Å; P267-W277 HydrophobicContact CB-CD2 4.19Å; P267-W277 HydrophobicContact CB-CE3 3.81Å; P267-W277 HydrophobicContact CB-CH2 3.84Å; P267-W277 HydrophobicContact CB-CZ2 4.21Å; P267-W277 HydrophobicContact CB-CZ3 3.63Å; P267-W277 HydrophobicContact CG-CE3 4.43Å; P267-W277 HydrophobicContact CG-CH2 4.28Å; P267-W277 HydrophobicContact CG-CZ3 3.92Å; R275-W277 VanDerWaalsContact CD-CE2 3.45Å; R275-W277 VanDerWaalsContact CD-CZ2 3.43Å; R275-W277 HydrophobicContact CG-CZ2 4.43Å; W277-D314 PolarHBondContact NE1-OD2 2.99Å; W277-I315 PolarHBondContact N-O 2.68Å; W277-V316 HydrophobicContact CB-CB 4Å; W277-V316 HydrophobicContact CB-CG2 3.95Å; W277-V316 CarbonylContact O-C 3.59Å; W277-V316 VanDerWaalsContact O-CA 3.28Å; W277-V316 WeakPolarHBondContact O-CA 3.23Å; W277-F317 PolarHBondContact O-N 2.95Å
278	A	97.9	Very high	97.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	163.9	179.5	0	0	0	0	0	110.9	K266 L282 L283 F317	K266-A278 PolarHBondContact N-O 3Å; K266-A278 PolarHBondContact O-N 3.26Å; A278-L282 HydrophobicContact CB-CB 4.1Å; A278-L283 HydrophobicContact CB-CB 4.46Å; A278-L283 HydrophobicContact CB-CD1 4.22Å; A278-F317 HydrophobicContact CB-CB 4.23Å
279	E	96.3	Very high	97.3	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.028	25%	0.251	C	S	.	.			trans	-57.5	146	164.9	-65.3	-173.2	-109.5	0	0	110.2	T184 Y185 G186 D264 C281 L282 L283	T184-E279 WeakPolarHBondContact CB-OE2 3.42Å; Y185-E279 WeakPolarHBondContact CB-OE1 3.49Å; Y185-E279 PolarHBondContact N-OE1 2.93Å; Y185-E279 PolarHBondContact N-OE2 3.15Å; G186-E279 PolarHBondContact N-OE2 3.49Å; D264-E279 WeakPolarHBondContact O-CA 3.38Å; E279-C281 PolarHBondContact O-N 2.76Å; E279-L282 PolarHBondContact O-N 3.3Å; E279-L283 PolarHBondContact O-N 2.95Å; E279-L283 VanDerWaalsContact O-N 3.14Å
280	P	95.6	Very high	97.3	Very high	59 Å²	59	38.4 Å²	38.4	38%	0.383	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-33.9	-171.8	-27.8	32.8	0	0	0	114.8	D264 K266 L282 P284	D264-P280 WeakPolarHBondContact O-CD 3.49Å; K266-P280 HydrophobicContact CG-CG 3.92Å; P280-L282 VanDerWaalsContact C-N 3.32Å; P280-L282 PolarHBondContact O-N 2.81Å; P280-P284 WeakPolarHBondContact O-CD 3.45Å
281	C	94.2	Very high	97.2	Very high	74 Å²	74	41.9 Å²	41.9	50%	0.5	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-24	179.4	56.4	0	0	0	0	113.9	E279	E279-C281 PolarHBondContact O-N 2.76Å
282	L	95.6	Very high	97.2	Very high	21 Å²	21	42.7 Å²	42.7	11%	0.11	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-23.7	179.9	-66.2	179.1	0	0	0	112.7	Y185 A278 E279 P280 T285 A286 L340	Y185-L282 HydrophobicContact CD1-CD1 4.2Å; Y185-L282 HydrophobicContact CD1-CD2 3.9Å; Y185-L282 HydrophobicContact CD1-CG 4.25Å; Y185-L282 HydrophobicContact CD2-CD1 3.74Å; Y185-L282 HydrophobicContact CE1-CD1 4.45Å; Y185-L282 HydrophobicContact CE1-CD2 3.99Å; Y185-L282 HydrophobicContact CE2-CD1 4.04Å; Y185-L282 HydrophobicContact CG-CD1 3.81Å; Y185-L282 HydrophobicContact CG-CD2 4.32Å; Y185-L282 HydrophobicContact CG-CG 4.17Å; A278-L282 HydrophobicContact CB-CB 4.1Å; E279-L282 PolarHBondContact O-N 3.3Å; P280-L282 VanDerWaalsContact C-N 3.32Å; P280-L282 PolarHBondContact O-N 2.81Å; L282-T285 PolarHBondContact O-N 3.26Å; L282-A286 WeakPolarHBondContact O-CB 3.22Å; L282-A286 PolarHBondContact O-N 2.86Å; L282-L340 HydrophobicContact CD2-CD1 4.38Å
283	L	97.4	Very high	97.2	Very high	29 Å²	29	38.4 Å²	38.4	15%	0.152	24%	0.235	C	C	.	.	H	α-helix	trans	-53.1	-48	-172.8	-170.2	69.7	0	0	0	113.6	K266 A268 V276 A278 E279 T285 A286 T287	K266-L283 HydrophobicContact CB-CD2 3.84Å; K266-L283 WeakPolarHBondContact O-CD1 3.25Å; A268-L283 HydrophobicContact CB-CD1 3.79Å; A268-L283 HydrophobicContact CB-CD2 4.22Å; A268-L283 HydrophobicContact CB-CG 4.09Å; V276-L283 HydrophobicContact CG1-CD1 3.9Å; A278-L283 HydrophobicContact CB-CB 4.46Å; A278-L283 HydrophobicContact CB-CD1 4.22Å; E279-L283 PolarHBondContact O-N 2.95Å; E279-L283 VanDerWaalsContact O-N 3.14Å; L283-T285 PolarHBondContact O-N 3.49Å; L283-A286 PolarHBondContact O-N 3.26Å; L283-T287 WeakPolarHBondContact O-CB 3.24Å; L283-T287 PolarHBondContact O-N 3.21Å; L283-T287 PolarHBondContact O-OG1 3.44Å
284	P	97.8	Very high	97.2	Very high	88 Å²	88	35.9 Å²	35.9	57%	0.571	23%	0.226	S	C	*	.	H	α-helix	trans	-61.1	-42.7	-178.8	-23.4	35.2	0	0	0	113.2	P280 S288	P280-P284 WeakPolarHBondContact O-CD 3.45Å; P284-S288 WeakPolarHBondContact O-CB 3.45Å; P284-S288 PolarHBondContact O-N 2.9Å
285	T	97	Very high	97.2	Very high	66 Å²	66	37.7 Å²	37.7	41%	0.405	23%	0.234	S	C	.	.	H	α-helix	trans	-64.7	-47.9	178.2	-56.3	0	0	0	0	110.6	L282 L283 S288 K289	L282-T285 PolarHBondContact O-N 3.26Å; L283-T285 PolarHBondContact O-N 3.49Å; T285-S288 PolarHBondContact O-N 2.86Å; T285-K289 HydrophobicContact CG2-CD 4.43Å; T285-K289 WeakPolarHBondContact O-CG 3.35Å; T285-K289 PolarHBondContact O-N 3.27Å; T285-K289 VanDerWaalsContact O-N 3.08Å
286	A	97.3	Very high	97.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-45.4	180	0	0	0	0	0	112.2	V276 L282 L283 K289 L290 F317 L340	V276-A286 HydrophobicContact CG2-CB 3.93Å; L282-A286 WeakPolarHBondContact O-CB 3.22Å; L282-A286 PolarHBondContact O-N 2.86Å; L283-A286 PolarHBondContact O-N 3.26Å; A286-K289 PolarHBondContact O-N 3.43Å; A286-L290 WeakPolarHBondContact O-CB 3.42Å; A286-L290 PolarHBondContact O-N 2.96Å; A286-F317 HydrophobicContact CB-CD2 3.72Å; A286-F317 HydrophobicContact CB-CE2 3.56Å; A286-F317 HydrophobicContact CB-CZ 4.45Å; A286-L340 HydrophobicContact CB-CD1 4.32Å; A286-L340 HydrophobicContact CB-CD2 4.16Å
287	T	97.9	Very high	97.2	Very high	34 Å²	34	39.5 Å²	39.5	21%	0.209	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-46.9	175	-58.1	0	0	0	0	111.3	A268 I270 L283 K289 L290 S291	A268-T287 HydrophobicContact CB-CG2 4.26Å; A268-T287 WeakPolarHBondContact CB-OG1 3.36Å; I270-T287 HydrophobicContact CG2-CG2 4.09Å; L283-T287 WeakPolarHBondContact O-CB 3.24Å; L283-T287 PolarHBondContact O-N 3.21Å; L283-T287 PolarHBondContact O-OG1 3.44Å; T287-K289 VanDerWaalsContact C-N 3.27Å; T287-K289 PolarHBondContact O-N 2.85Å; T287-L290 PolarHBondContact O-N 3.28Å; T287-S291 WeakPolarHBondContact O-CB 3.12Å; T287-S291 PolarHBondContact O-N 2.94Å
288	S	97.4	Very high	97.2	Very high	100 Å²	100	38.6 Å²	38.6	70%	0.699	24%	0.241	S	C	*	.	H	α-helix	trans	-61.1	-35.3	-178.7	-174.1	0	0	0	0	112.8	P284 T285	P284-S288 WeakPolarHBondContact O-CB 3.45Å; P284-S288 PolarHBondContact O-N 2.9Å; T285-S288 PolarHBondContact O-N 2.86Å
289	K	96.8	Very high	97.3	Very high	60 Å²	60	40.3 Å²	40.3	26%	0.261	25%	0.253	S	S	.	.	H	α-helix	trans	-79.9	-29.4	-178.5	-70.4	-169.7	175.2	-140.1	0	113.6	T285 A286 T287 L340 D343 L346	T285-K289 HydrophobicContact CG2-CD 4.43Å; T285-K289 WeakPolarHBondContact O-CG 3.35Å; T285-K289 PolarHBondContact O-N 3.27Å; T285-K289 VanDerWaalsContact O-N 3.08Å; A286-K289 PolarHBondContact O-N 3.43Å; T287-K289 VanDerWaalsContact C-N 3.27Å; T287-K289 PolarHBondContact O-N 2.85Å; K289-L340 HydrophobicContact CD-CD2 4.3Å; K289-L340 WeakPolarHBondContact CE-O 3.27Å; K289-L340 PolarHBondContact NZ-O 2.64Å; K289-D343 WeakPolarHBondContact CD-OD1 3.34Å; K289-D343 VanDerWaalsContact CE-OD1 3.22Å; K289-D343 WeakPolarHBondContact CE-OD1 3.37Å; K289-D343 IonicContact NZ-OD1 3.9Å; K289-D343 PolarHBondContact NZ-OD1 3.39Å; K289-L346 HydrophobicContact CB-CD2 3.84Å; K289-L346 HydrophobicContact CD-CD2 3.86Å; K289-L346 HydrophobicContact CG-CD2 4.48Å
290	L	97.6	Very high	97.4	Very high	1 Å²	1	40 Å²	40	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-108.9	-12.3	-171	-63.2	176.7	0	0	0	114.8	I270 A286 T287 G292 A293 V294 W297 I315 F317 L346 V350	I270-L290 HydrophobicContact CD1-CB 3.78Å; I270-L290 HydrophobicContact CD1-CD1 4.46Å; A286-L290 WeakPolarHBondContact O-CB 3.42Å; A286-L290 PolarHBondContact O-N 2.96Å; T287-L290 PolarHBondContact O-N 3.28Å; L290-G292 PolarHBondContact O-N 3.01Å; L290-G292 VanDerWaalsContact O-N 3.16Å; L290-A293 PolarHBondContact O-N 3.4Å; L290-V294 HydrophobicContact CB-CG2 4.22Å; L290-V294 HydrophobicContact CD2-CG2 4.4Å; L290-W297 HydrophobicContact CD2-CH2 3.96Å; L290-W297 HydrophobicContact CD2-CZ3 4.11Å; L290-I315 HydrophobicContact CD1-CD1 3.84Å; L290-F317 HydrophobicContact CD1-CE2 3.78Å; L290-F317 HydrophobicContact CD1-CZ 3.89Å; L290-L346 HydrophobicContact CD2-CD1 4.44Å; L290-L346 HydrophobicContact CD2-CD2 4.05Å; L290-L346 HydrophobicContact CD2-CG 4.25Å; L290-L346 HydrophobicContact CG-CD2 4.47Å; L290-V350 HydrophobicContact CD2-CG2 4.3Å
291	S	97.2	Very high	97.5	Very high	79 Å²	79	37.2 Å²	37.2	55%	0.552	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	118.3	-179.6	-179	0	0	0	0	111.8	T287 A293	T287-S291 WeakPolarHBondContact O-CB 3.12Å; T287-S291 PolarHBondContact O-N 2.94Å; S291-A293 PolarHBondContact O-N 3.48Å; S291-A293 VanDerWaalsContact O-N 3.14Å
292	G	96.4	Very high	97.7	Very high	42 Å²	42	36 Å²	36	43%	0.433	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-30.2	-178.6	0	0	0	0	0	114.9	I270 L290 V294 E295 Q296	I270-G292 PolarHBondContact O-N 3.11Å; L290-G292 PolarHBondContact O-N 3.01Å; L290-G292 VanDerWaalsContact O-N 3.16Å; G292-V294 PolarHBondContact O-N 3.11Å; G292-E295 PolarHBondContact O-N 3.09Å; G292-Q296 PolarHBondContact O-N 3.04Å
293	A	97.6	Very high	97.8	Very high	16 Å²	16	41.8 Å²	41.8	13%	0.132	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-42.5	-177.4	0	0	0	0	0	112.4	L290 S291 E295 Q296 W297	L290-A293 PolarHBondContact O-N 3.4Å; S291-A293 PolarHBondContact O-N 3.48Å; S291-A293 VanDerWaalsContact O-N 3.14Å; A293-E295 VanDerWaalsContact C-N 3.33Å; A293-E295 PolarHBondContact O-N 2.81Å; A293-Q296 VanDerWaalsContact O-CB 3.3Å; A293-Q296 WeakPolarHBondContact O-CB 3.49Å; A293-Q296 PolarHBondContact O-N 2.84Å; A293-Q296 VanDerWaalsContact O-N 3.09Å; A293-W297 HydrophobicContact CB-CH2 3.88Å; A293-W297 HydrophobicContact CB-CZ2 3.64Å; A293-W297 HydrophobicContact CB-CZ3 4.47Å; A293-W297 VanDerWaalsContact O-CD2 3.26Å; A293-W297 VanDerWaalsContact O-CG 3.29Å; A293-W297 PolarHBondContact O-N 2.72Å
294	V	98.1	Very high	97.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-41.5	180	177.9	0	0	0	0	112.1	I270 S274 L290 G292 Q296 W297 L298 Y313 I315	I270-V294 HydrophobicContact CD1-CB 4.27Å; I270-V294 HydrophobicContact CD1-CG2 3.67Å; S274-V294 WeakPolarHBondContact OG-CG1 3.15Å; L290-V294 HydrophobicContact CB-CG2 4.22Å; L290-V294 HydrophobicContact CD2-CG2 4.4Å; G292-V294 PolarHBondContact O-N 3.11Å; V294-Q296 VanDerWaalsContact C-N 3.32Å; V294-Q296 PolarHBondContact O-N 3.14Å; V294-W297 HydrophobicContact CB-CE3 4.41Å; V294-W297 HydrophobicContact CG2-CE3 4.11Å; V294-W297 HydrophobicContact CG2-CZ3 3.84Å; V294-W297 PolarHBondContact O-N 3.08Å; V294-L298 HydrophobicContact CG1-CD1 3.99Å; V294-L298 HydrophobicContact CG1-CG 4.42Å; V294-L298 WeakPolarHBondContact O-CG 3.37Å; V294-L298 PolarHBondContact O-N 2.92Å; V294-Y313 HydrophobicContact CG1-CD1 3.62Å; V294-Y313 HydrophobicContact CG1-CE1 4.1Å; V294-Y313 HydrophobicContact CG1-CG 4.49Å; V294-I315 HydrophobicContact CG2-CD1 3.88Å
295	E	98.3	Very high	97.9	Very high	37 Å²	37	36.7 Å²	36.7	17%	0.173	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-34.1	177.1	-177.1	56.3	-141.8	0	0	111.9	P272 R273 G292 A293 S299	P272-E295 HydrophobicContact CG-CG 3.84Å; P272-E295 WeakPolarHBondContact CG-OE2 2.89Å; R273-E295 WeakPolarHBondContact CG-OE2 3.21Å; R273-E295 IonicContact CZ-OE1 3.8Å; R273-E295 IonicContact CZ-OE2 3.56Å; R273-E295 IonicContact NE-OE1 2.72Å; R273-E295 PolarHBondContact NE-OE1 2.94Å; R273-E295 IonicContact NE-OE2 2.63Å; R273-E295 PolarHBondContact NE-OE2 3.09Å; R273-E295 IonicContact NH2-OE1 3.7Å; R273-E295 PolarHBondContact NH2-OE1 3.21Å; R273-E295 IonicContact NH2-OE2 3.61Å; G292-E295 PolarHBondContact O-N 3.09Å; A293-E295 VanDerWaalsContact C-N 3.33Å; A293-E295 PolarHBondContact O-N 2.81Å; E295-S299 WeakPolarHBondContact O-CB 3.18Å; E295-S299 PolarHBondContact O-N 3.38Å; E295-S299 PolarHBondContact O-OG 3.45Å; E295-S299 PolarHBondContact OE1-OG 3.4Å
296	Q	98.4	Very high	97.9	Very high	96 Å²	96	34 Å²	34	45%	0.449	19%	0.194	S	C	.	.	H	α-helix	trans	-61.4	-44.6	174	-174.8	-174.8	12.9	0	0	111.2	G292 A293 V294 A300 T389	G292-Q296 PolarHBondContact O-N 3.04Å; A293-Q296 VanDerWaalsContact O-CB 3.3Å; A293-Q296 WeakPolarHBondContact O-CB 3.49Å; A293-Q296 PolarHBondContact O-N 2.84Å; A293-Q296 VanDerWaalsContact O-N 3.09Å; V294-Q296 VanDerWaalsContact C-N 3.32Å; V294-Q296 PolarHBondContact O-N 3.14Å; Q296-A300 PolarHBondContact O-N 3.41Å; Q296-T389 HydrophobicContact CG-CG2 4.07Å
297	W	98.6	Very high	97.9	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-68.4	-45.2	178.4	-52.4	-33.8	0	0	0	111.9	L290 A293 V294 S299 A300 A301 V347 V350 I351 I385 Y390	L290-W297 HydrophobicContact CD2-CH2 3.96Å; L290-W297 HydrophobicContact CD2-CZ3 4.11Å; A293-W297 HydrophobicContact CB-CH2 3.88Å; A293-W297 HydrophobicContact CB-CZ2 3.64Å; A293-W297 HydrophobicContact CB-CZ3 4.47Å; A293-W297 VanDerWaalsContact O-CD2 3.26Å; A293-W297 VanDerWaalsContact O-CG 3.29Å; A293-W297 PolarHBondContact O-N 2.72Å; V294-W297 HydrophobicContact CB-CE3 4.41Å; V294-W297 HydrophobicContact CG2-CE3 4.11Å; V294-W297 HydrophobicContact CG2-CZ3 3.84Å; V294-W297 PolarHBondContact O-N 3.08Å; W297-S299 VanDerWaalsContact C-N 3.33Å; W297-S299 PolarHBondContact O-N 3.29Å; W297-A300 PolarHBondContact O-N 3.47Å; W297-A300 VanDerWaalsContact O-N 3.16Å; W297-A301 WeakPolarHBondContact O-CB 3.35Å; W297-A301 PolarHBondContact O-N 2.65Å; W297-V347 HydrophobicContact CH2-CG2 4.39Å; W297-V347 HydrophobicContact CZ2-CB 4.39Å; W297-V347 HydrophobicContact CZ2-CG1 4.15Å; W297-V347 HydrophobicContact CZ2-CG2 3.99Å; W297-V350 HydrophobicContact CE3-CB 4.28Å; W297-V350 HydrophobicContact CE3-CG1 3.79Å; W297-V350 HydrophobicContact CH2-CB 4.34Å; W297-V350 HydrophobicContact CH2-CG1 4.47Å; W297-V350 HydrophobicContact CZ3-CB 3.66Å; W297-V350 HydrophobicContact CZ3-CG1 3.4Å; W297-V350 HydrophobicContact CZ3-CG2 4.37Å; W297-I351 HydrophobicContact CB-CG1 4.26Å; W297-I351 HydrophobicContact CD2-CD1 4.21Å; W297-I351 HydrophobicContact CD2-CG1 3.65Å; W297-I351 HydrophobicContact CE3-CG1 4.1Å; W297-I351 HydrophobicContact CG-CD1 4.15Å; W297-I351 HydrophobicContact CG-CG1 3.71Å; W297-I385 HydrophobicContact CB-CG2 4.18Å; W297-Y390 WeakPolarHBondContact CZ2-OH 3.45Å; W297-Y390 AromaticContact NE1-CE2 3.49Å; W297-Y390 AromaticContact NE1-CZ 3.73Å; W297-Y390 PolarHBondContact NE1-OH 3.32Å; W297-Y390 VanDerWaalsContact NE1-OH 3.13Å
298	L	98.6	Very high	97.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.8	-46	174.3	-74.2	168.4	0	0	0	111.4	R273 V294 A300 A301 E302 Y308 Y313 V354	R273-L298 HydrophobicContact CG-CD1 4.49Å; V294-L298 HydrophobicContact CG1-CD1 3.99Å; V294-L298 HydrophobicContact CG1-CG 4.42Å; V294-L298 WeakPolarHBondContact O-CG 3.37Å; V294-L298 PolarHBondContact O-N 2.92Å; L298-A300 VanDerWaalsContact C-N 3.3Å; L298-A300 PolarHBondContact O-N 2.77Å; L298-A301 PolarHBondContact O-N 3.22Å; L298-E302 WeakPolarHBondContact O-CB 3.15Å; L298-E302 WeakPolarHBondContact O-CG 3.17Å; L298-E302 PolarHBondContact O-N 2.8Å; L298-Y308 HydrophobicContact CD2-CD2 3.72Å; L298-Y308 HydrophobicContact CD2-CE2 3.85Å; L298-Y308 HydrophobicContact CD2-CG 4.25Å; L298-Y313 HydrophobicContact CD1-CG 4.34Å; L298-Y313 HydrophobicContact CD2-CD2 4.18Å; L298-Y313 HydrophobicContact CD2-CG 4.24Å; L298-V354 HydrophobicContact CD2-CG1 4.03Å; L298-V354 HydrophobicContact CD2-CG2 4.49Å
299	S	98.6	Very high	97.8	Very high	36 Å²	36	35.1 Å²	35.1	25%	0.252	20%	0.195	S	C	.	.	H	α-helix	trans	-61.7	-36.9	177.3	-74	0	0	0	0	112.6	E295 W297 R303	E295-S299 WeakPolarHBondContact O-CB 3.18Å; E295-S299 PolarHBondContact O-N 3.38Å; E295-S299 PolarHBondContact O-OG 3.45Å; E295-S299 PolarHBondContact OE1-OG 3.4Å; W297-S299 VanDerWaalsContact C-N 3.33Å; W297-S299 PolarHBondContact O-N 3.29Å; S299-R303 WeakPolarHBondContact O-CG 3.32Å; S299-R303 PolarHBondContact O-N 2.99Å; S299-R303 PolarHBondContact O-NH1 3.11Å
300	A	98.6	Very high	97.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-69.1	-46.6	174.9	0	0	0	0	0	111.6	Q296 W297 L298 E302 R303 L304 I385 E388 T389	Q296-A300 PolarHBondContact O-N 3.41Å; W297-A300 PolarHBondContact O-N 3.47Å; W297-A300 VanDerWaalsContact O-N 3.16Å; L298-A300 VanDerWaalsContact C-N 3.3Å; L298-A300 PolarHBondContact O-N 2.77Å; A300-E302 VanDerWaalsContact C-N 3.29Å; A300-E302 PolarHBondContact O-N 2.78Å; A300-R303 PolarHBondContact O-N 3.45Å; A300-L304 WeakPolarHBondContact O-CG 3.41Å; A300-L304 PolarHBondContact O-N 2.96Å; A300-L304 VanDerWaalsContact O-N 3.17Å; A300-I385 HydrophobicContact CB-CG2 4.15Å; A300-E388 HydrophobicContact CB-CB 4.26Å; A300-T389 HydrophobicContact CB-CG2 3.81Å
301	A	98.6	Very high	97.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.1	-41.4	175.3	0	0	0	0	0	111.7	W297 L298 R303 L304 Y305 V354 W358 I385	W297-A301 WeakPolarHBondContact O-CB 3.35Å; W297-A301 PolarHBondContact O-N 2.65Å; L298-A301 PolarHBondContact O-N 3.22Å; A301-R303 PolarHBondContact O-N 2.95Å; A301-L304 PolarHBondContact O-N 2.88Å; A301-L304 VanDerWaalsContact O-N 3.15Å; A301-Y305 HydrophobicContact CB-CD2 4.46Å; A301-Y305 WeakPolarHBondContact O-CD2 3.46Å; A301-Y305 PolarHBondContact O-N 3.2Å; A301-V354 HydrophobicContact CB-CG1 3.96Å; A301-W358 HydrophobicContact CB-CE3 4.4Å; A301-W358 HydrophobicContact CB-CH2 3.65Å; A301-W358 HydrophobicContact CB-CZ2 4.47Å; A301-W358 HydrophobicContact CB-CZ3 3.61Å; A301-I385 HydrophobicContact CB-CD1 3.65Å; A301-I385 HydrophobicContact CB-CG1 4.04Å
302	E	98.6	Very high	97.6	Very high	49 Å²	49	35 Å²	35	23%	0.229	20%	0.196	C	C	.	.	H	α-helix	trans	-64.8	-37.3	179.1	-77.9	-177.7	138.4	0	0	113.2	R273 L298 A300 L304 G306 Y308 W358	R273-E302 IonicContact CZ-OE1 3.78Å; R273-E302 IonicContact CZ-OE2 2.85Å; R273-E302 IonicContact NH1-OE1 3.86Å; R273-E302 PolarHBondContact NH1-OE1 3.26Å; R273-E302 IonicContact NH1-OE2 3.26Å; R273-E302 PolarHBondContact NH1-OE2 2.89Å; R273-E302 IonicContact NH2-OE1 2.65Å; R273-E302 IonicContact NH2-OE2 3.27Å; R273-E302 PolarHBondContact NH2-OE2 3.24Å; L298-E302 WeakPolarHBondContact O-CB 3.15Å; L298-E302 WeakPolarHBondContact O-CG 3.17Å; L298-E302 PolarHBondContact O-N 2.8Å; A300-E302 VanDerWaalsContact C-N 3.29Å; A300-E302 PolarHBondContact O-N 2.78Å; E302-L304 VanDerWaalsContact C-N 3.32Å; E302-G306 VanDerWaalsContact CA-O 3.26Å; E302-G306 WeakPolarHBondContact CA-O 3.46Å; E302-G306 CarbonylContact O-C 3.56Å; E302-G306 WeakPolarHBondContact O-CA 3.27Å; E302-G306 PolarHBondContact O-N 3.08Å; E302-Y308 WeakPolarHBondContact OE1-CB 3.48Å; E302-Y308 PolarHBondContact OE1-N 3.04Å; E302-W358 HydrophobicContact CG-CH2 4.24Å; E302-W358 HydrophobicContact CG-CZ2 4.04Å
303	R	97.9	Very high	97.7	Very high	142 Å²	142	33.1 Å²	33.1	54%	0.536	18%	0.176	S	C	.	.	H	α-helix	trans	-64.3	-39.6	173.6	-71.9	-171.7	-56.8	-88.4	8	111.3	S299 A300 A301 R466	S299-R303 WeakPolarHBondContact O-CG 3.32Å; S299-R303 PolarHBondContact O-N 2.99Å; S299-R303 PolarHBondContact O-NH1 3.11Å; A300-R303 PolarHBondContact O-N 3.45Å; A301-R303 PolarHBondContact O-N 2.95Å; R303-R466 PolarHBondContact O-NH2 3.45Å
304	L	98.1	Very high	97.7	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-75.4	-50.5	-178.1	-65.5	167	0	0	0	111.7	A300 A301 E302 R384 I385 E388 D462 R466	A300-L304 WeakPolarHBondContact O-CG 3.41Å; A300-L304 PolarHBondContact O-N 2.96Å; A300-L304 VanDerWaalsContact O-N 3.17Å; A301-L304 PolarHBondContact O-N 2.88Å; A301-L304 VanDerWaalsContact O-N 3.15Å; E302-L304 VanDerWaalsContact C-N 3.32Å; L304-R384 HydrophobicContact CD1-CB 3.95Å; L304-I385 HydrophobicContact CD1-CG1 3.98Å; L304-E388 HydrophobicContact CD1-CG 4.25Å; L304-D462 HydrophobicContact CD2-CB 4.48Å; L304-R466 PolarHBondContact O-NH2 2.64Å
305	Y	97.9	Very high	97.8	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-115.1	-0.3	-163.5	-50.2	-54	0	0	0	114.8	A301 W358 F359 A381 R384 I385 L465	A301-Y305 HydrophobicContact CB-CD2 4.46Å; A301-Y305 WeakPolarHBondContact O-CD2 3.46Å; A301-Y305 PolarHBondContact O-N 3.2Å; Y305-W358 VanDerWaalsContact CB-CD1 3.43Å; Y305-W358 PolarHBondContact O-NE1 2.69Å; Y305-F359 AromaticContact CD1-CE2 3.86Å; Y305-F359 HydrophobicContact CD1-CE2 3.86Å; Y305-F359 AromaticContact CD1-CZ 3.79Å; Y305-F359 HydrophobicContact CD1-CZ 3.79Å; Y305-F359 HydrophobicContact CD2-CE2 4.1Å; Y305-F359 HydrophobicContact CE1-CE2 4.02Å; Y305-F359 HydrophobicContact CE1-CZ 4.09Å; Y305-F359 HydrophobicContact CE2-CE2 4.24Å; Y305-F359 AromaticContact CG-CE2 3.93Å; Y305-F359 HydrophobicContact CG-CE2 3.93Å; Y305-F359 HydrophobicContact CG-CZ 4.19Å; Y305-A381 HydrophobicContact CD2-CB 4.46Å; Y305-A381 HydrophobicContact CE1-CB 4.43Å; Y305-A381 HydrophobicContact CE2-CB 3.56Å; Y305-A381 WeakPolarHBondContact OH-CA 3.44Å; Y305-A381 WeakPolarHBondContact OH-CB 3.48Å; Y305-R384 WeakPolarHBondContact OH-CB 3.15Å; Y305-I385 HydrophobicContact CE2-CD1 4.27Å; Y305-I385 HydrophobicContact CE2-CG1 4.31Å; Y305-L465 HydrophobicContact CD1-CB 4.1Å; Y305-L465 HydrophobicContact CD1-CD1 4.44Å; Y305-L465 HydrophobicContact CE1-CB 4.21Å; Y305-L465 HydrophobicContact CE1-CD1 3.76Å
306	G	97.1	Very high	97.8	Very high	9 Å²	9	31.4 Å²	31.4	9%	0.093	17%	0.165	C	C	.	.			trans	95.2	179.4	-177.3	0	0	0	0	0	113	E302 W358	E302-G306 VanDerWaalsContact CA-O 3.26Å; E302-G306 WeakPolarHBondContact CA-O 3.46Å; E302-G306 CarbonylContact O-C 3.56Å; E302-G306 WeakPolarHBondContact O-CA 3.27Å; E302-G306 PolarHBondContact O-N 3.08Å; G306-W358 WeakPolarHBondContact O-CZ2 3.36Å; G306-W358 PolarHBondContact O-NE1 3Å; G306-W358 VanDerWaalsContact O-NE1 3.16Å
307	P	97.5	Very high	97.8	Very high	97 Å²	97	26.9 Å²	26.9	63%	0.63	14%	0.144	S	C	*	.			trans	-60	146.3	-167.4	-10.3	18.2	0	0	0	113.8	M309	P307-M309 PolarHBondContact O-N 2.82Å
308	Y	98.2	Very high	97.7	Very high	18 Å²	18	26.8 Å²	26.8	7%	0.071	14%	0.144	C	C	.	.			trans	-70.7	121.2	171.4	-176.8	-102.2	0	0	0	110.2	L298 E302 W310 R312 Y313 S357 W358	L298-Y308 HydrophobicContact CD2-CD2 3.72Å; L298-Y308 HydrophobicContact CD2-CE2 3.85Å; L298-Y308 HydrophobicContact CD2-CG 4.25Å; E302-Y308 WeakPolarHBondContact OE1-CB 3.48Å; E302-Y308 PolarHBondContact OE1-N 3.04Å; Y308-W310 HydrophobicContact CE1-CB 3.7Å; Y308-W310 HydrophobicContact CE1-CG 4.45Å; Y308-W310 HydrophobicContact CE2-CB 4.42Å; Y308-W310 AromaticContact CE2-CD1 3.62Å; Y308-W310 HydrophobicContact CE2-CG 4.39Å; Y308-W310 AromaticContact CZ-CD1 3.74Å; Y308-W310 WeakPolarHBondContact OH-CB 3.36Å; Y308-R312 PolarHBondContact OH-O 3.05Å; Y308-R312 VanDerWaalsContact OH-O 3.1Å; Y308-Y313 AromaticContact CE2-CD2 3.97Å; Y308-Y313 HydrophobicContact CE2-CD2 3.97Å; Y308-Y313 AromaticContact CZ-CD2 3.94Å; Y308-Y313 WeakPolarHBondContact OH-CD2 3.42Å; Y308-S357 WeakPolarHBondContact CE2-OG 3.3Å; Y308-W358 AromaticContact CD2-CH2 3.73Å; Y308-W358 HydrophobicContact CD2-CH2 3.73Å; Y308-W358 HydrophobicContact CD2-CZ2 4.34Å; Y308-W358 HydrophobicContact CD2-CZ3 4.12Å; Y308-W358 HydrophobicContact CG-CH2 4.45Å
309	M	95.4	Very high	97.4	Very high	43 Å²	43	26.8 Å²	26.8	21%	0.212	14%	0.144	C	C	.	.			trans	-92.1	-13	-167.2	-63.3	174.4	-75.7	0	0	114.6	H251 P307 A362 V469 K473 F474	H251-M309 PolarHBondContact NE2-O 3.48Å; P307-M309 PolarHBondContact O-N 2.82Å; M309-A362 HydrophobicContact CE-CB 3.38Å; M309-V469 HydrophobicContact CE-CG1 4.45Å; M309-K473 HydrophobicContact SD-CB 4.33Å; M309-K473 HydrophobicContact SD-CD 3.92Å; M309-F474 HydrophobicContact CB-CZ 4.34Å; M309-F474 HydrophobicContact SD-CE2 4.26Å; M309-F474 HydrophobicContact SD-CZ 3.91Å
310	W	97.1	Very high	96.9	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	13%	0.134	C	C	.	.	S	Bend	trans	-99.5	8	-164.2	-47.1	92	0	0	0	114.3	M249 H251 V253 Y308 R312 P330 C331 S357 N361 A362 F474	M249-W310 HydrophobicContact CE-CE3 4.24Å; M249-W310 HydrophobicContact CE-CZ3 4.34Å; M249-W310 HydrophobicContact SD-CE3 4.27Å; M249-W310 HydrophobicContact SD-CZ3 4.14Å; H251-W310 HydrophobicContact CB-CE3 4.22Å; H251-W310 HydrophobicContact CB-CH2 4.41Å; H251-W310 HydrophobicContact CB-CZ3 3.72Å; V253-W310 HydrophobicContact CG1-CH2 4.05Å; V253-W310 HydrophobicContact CG1-CZ3 3.76Å; Y308-W310 HydrophobicContact CE1-CB 3.7Å; Y308-W310 HydrophobicContact CE1-CG 4.45Å; Y308-W310 HydrophobicContact CE2-CB 4.42Å; Y308-W310 AromaticContact CE2-CD1 3.62Å; Y308-W310 HydrophobicContact CE2-CG 4.39Å; Y308-W310 AromaticContact CZ-CD1 3.74Å; Y308-W310 WeakPolarHBondContact OH-CB 3.36Å; W310-R312 PolarHBondContact O-N 3.01Å; W310-P330 HydrophobicContact CD2-CB 4.17Å; W310-P330 HydrophobicContact CE3-CB 3.7Å; W310-P330 HydrophobicContact CE3-CG 4.48Å; W310-P330 HydrophobicContact CH2-CB 4.45Å; W310-P330 HydrophobicContact CH2-CG 4.4Å; W310-P330 HydrophobicContact CZ3-CB 3.84Å; W310-P330 HydrophobicContact CZ3-CG 4.16Å; W310-C331 PolarHBondContact O-SG 2.94Å; W310-S357 PolarHBondContact NE1-O 2.93Å; W310-N361 HydrophobicContact CH2-CB 3.95Å; W310-N361 HydrophobicContact CZ2-CB 3.47Å; W310-N361 VanDerWaalsContact CZ2-CB 3.47Å; W310-A362 HydrophobicContact CZ2-CB 4.15Å; W310-F474 AromaticContact CH2-CE1 4Å; W310-F474 HydrophobicContact CH2-CE1 4Å; W310-F474 HydrophobicContact CZ2-CE1 4.28Å; W310-F474 HydrophobicContact CZ3-CE1 4.46Å
311	G	94.6	Very high	96.4	Very high	50 Å²	50	26.2 Å²	26.2	52%	0.515	14%	0.14	S	C	.	.	S	Bend	trans	76.2	-84.7	-178.2	0	0	0	0	0	112.6
312	R	95.2	Very high	96	Very high	87 Å²	87	26.2 Å²	26.2	33%	0.328	14%	0.14	S	C	.	.			trans	-103.9	147.9	179.3	-68.9	-175.2	65.8	106.5	2.7	111.7	D269 R273 Y308 W310 D314 C331	D269-R312 IonicContact OD1-NH2 2.71Å; D269-R312 PolarHBondContact OD1-NH2 2.91Å; D269-R312 VanDerWaalsContact OD1-NH2 3.17Å; R273-R312 VanDerWaalsContact O-CA 3.3Å; R273-R312 WeakPolarHBondContact O-CA 3.41Å; Y308-R312 PolarHBondContact OH-O 3.05Å; Y308-R312 VanDerWaalsContact OH-O 3.1Å; W310-R312 PolarHBondContact O-N 3.01Å; R312-D314 IonicContact CZ-OD1 2.69Å; R312-D314 IonicContact NE-OD1 3.59Å; R312-D314 PolarHBondContact NE-OD1 2.98Å; R312-D314 IonicContact NE-OD2 2.8Å; R312-D314 IonicContact NH2-OD1 2.7Å; R312-D314 PolarHBondContact NH2-OD1 3.18Å; R312-D314 VanDerWaalsContact NH2-OD1 3.09Å; R312-D314 IonicContact NH2-OD2 3.43Å; R312-C331 WeakPolarHBondContact O-CA 3.43Å
313	Y	98.6	Very high	95.3	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.008	14%	0.135	C	C	.	.			trans	-116	91.1	169.4	-172	-83.9	0	0	0	108.3	R273 S274 V294 L298 Y308 I315 T333 V350 E353 V354	R273-Y313 PolarHBondContact O-N 2.78Å; S274-Y313 WeakPolarHBondContact CA-O 3.37Å; S274-Y313 WeakPolarHBondContact CB-O 3.44Å; S274-Y313 PolarHBondContact OG-O 3.18Å; V294-Y313 HydrophobicContact CG1-CD1 3.62Å; V294-Y313 HydrophobicContact CG1-CE1 4.1Å; V294-Y313 HydrophobicContact CG1-CG 4.49Å; L298-Y313 HydrophobicContact CD1-CG 4.34Å; L298-Y313 HydrophobicContact CD2-CD2 4.18Å; L298-Y313 HydrophobicContact CD2-CG 4.24Å; Y308-Y313 AromaticContact CE2-CD2 3.97Å; Y308-Y313 HydrophobicContact CE2-CD2 3.97Å; Y308-Y313 AromaticContact CZ-CD2 3.94Å; Y308-Y313 WeakPolarHBondContact OH-CD2 3.42Å; Y313-I315 HydrophobicContact CD1-CG1 4.24Å; Y313-I315 HydrophobicContact CE1-CD1 3.97Å; Y313-I315 HydrophobicContact CE1-CG1 3.76Å; Y313-T333 PolarHBondContact OH-OG1 3.29Å; Y313-T333 VanDerWaalsContact OH-OG1 3.13Å; Y313-V350 HydrophobicContact CE1-CG1 4.37Å; Y313-V350 PolarHBondContact OH-O 2.65Å; Y313-E353 VanDerWaalsContact OH-C 3.32Å; Y313-E353 VanDerWaalsContact OH-CB 3.28Å; Y313-E353 WeakPolarHBondContact OH-CB 3.44Å; Y313-V354 HydrophobicContact CD2-CG2 4.49Å; Y313-V354 HydrophobicContact CE1-CG2 3.91Å; Y313-V354 HydrophobicContact CE2-CB 4.41Å; Y313-V354 HydrophobicContact CE2-CG2 3.82Å; Y313-V354 VanDerWaalsContact CZ-CG2 3.48Å; Y313-V354 PolarHBondContact OH-N 3.09Å
314	D	98.7	Very high	94.8	Very high	16 Å²	16	21 Å²	21	9%	0.086	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	152.5	175.4	-70.8	7	0	0	0	110.4	R275 W277 R312 C331 L332 T333	R275-D314 WeakPolarHBondContact CB-OD1 3.28Å; R275-D314 PolarHBondContact N-OD1 3.21Å; R275-D314 VanDerWaalsContact N-OD1 3.13Å; R275-D314 CarbonylContact O-C 3.55Å; R275-D314 WeakPolarHBondContact O-CA 3.33Å; R275-D314 WeakPolarHBondContact O-CB 3.39Å; W277-D314 PolarHBondContact NE1-OD2 2.99Å; R312-D314 IonicContact CZ-OD1 2.69Å; R312-D314 IonicContact NE-OD1 3.59Å; R312-D314 PolarHBondContact NE-OD1 2.98Å; R312-D314 IonicContact NE-OD2 2.8Å; R312-D314 IonicContact NH2-OD1 2.7Å; R312-D314 PolarHBondContact NH2-OD1 3.18Å; R312-D314 VanDerWaalsContact NH2-OD1 3.09Å; R312-D314 IonicContact NH2-OD2 3.43Å; D314-C331 WeakPolarHBondContact CB-O 2.88Å; D314-C331 PolarHBondContact N-O 3.14Å; D314-L332 HydrophobicContact CB-CD1 4.07Å; D314-L332 CarbonylContact O-C 3.59Å; D314-L332 VanDerWaalsContact O-CA 3.3Å; D314-L332 WeakPolarHBondContact O-CA 2.95Å; D314-T333 PolarHBondContact O-N 2.99Å
315	I	98.8	Very high	94.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.4	178.4	-63.9	165.7	0	0	0	108.1	R275 V276 W277 L290 V294 Y313 F317 T333 I335 V350	R275-I315 PolarHBondContact O-N 3.5Å; V276-I315 CarbonylContact C-O 3.51Å; V276-I315 VanDerWaalsContact CA-O 3.29Å; V276-I315 WeakPolarHBondContact CA-O 3.4Å; W277-I315 PolarHBondContact N-O 2.68Å; L290-I315 HydrophobicContact CD1-CD1 3.84Å; V294-I315 HydrophobicContact CG2-CD1 3.88Å; Y313-I315 HydrophobicContact CD1-CG1 4.24Å; Y313-I315 HydrophobicContact CE1-CD1 3.97Å; Y313-I315 HydrophobicContact CE1-CG1 3.76Å; I315-F317 HydrophobicContact CG2-CD2 4.45Å; I315-F317 HydrophobicContact CG2-CE2 4.08Å; I315-F317 HydrophobicContact CG2-CZ 4.37Å; I315-T333 CarbonylContact C-O 3.52Å; I315-T333 WeakPolarHBondContact CA-O 3.36Å; I315-I335 HydrophobicContact CG2-CB 4.49Å; I315-I335 HydrophobicContact CG2-CD1 3.59Å; I315-I335 HydrophobicContact CG2-CG1 3.96Å; I315-V350 HydrophobicContact CD1-CG1 3.8Å
316	V	98.7	Very high	94.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.7	170.8	59.9	0	0	0	0	111.1	L230 V261 L265 W277 L318 L332 T333 F334 I335	L230-V316 HydrophobicContact CD1-CG2 4.39Å; V261-V316 HydrophobicContact CG1-CG1 4.24Å; V261-V316 HydrophobicContact CG1-CG2 4.24Å; L265-V316 HydrophobicContact CD1-CG2 3.91Å; L265-V316 HydrophobicContact CD2-CG2 4.01Å; W277-V316 HydrophobicContact CB-CB 4Å; W277-V316 HydrophobicContact CB-CG2 3.95Å; W277-V316 CarbonylContact O-C 3.59Å; W277-V316 VanDerWaalsContact O-CA 3.28Å; W277-V316 WeakPolarHBondContact O-CA 3.23Å; V316-L318 HydrophobicContact CG1-CD2 4.38Å; V316-L318 HydrophobicContact CG2-CD2 4.18Å; V316-L332 HydrophobicContact CB-CD1 4.18Å; V316-L332 HydrophobicContact CG1-CD1 4.1Å; V316-L332 HydrophobicContact CG1-CG 4.05Å; V316-T333 PolarHBondContact N-O 2.94Å; V316-F334 HydrophobicContact CG1-CB 4.47Å; V316-F334 HydrophobicContact CG1-CD1 3.12Å; V316-F334 HydrophobicContact CG1-CE1 3.42Å; V316-F334 VanDerWaalsContact CG1-CE1 3.42Å; V316-F334 HydrophobicContact CG1-CG 3.97Å; V316-F334 HydrophobicContact CG1-CZ 4.44Å; V316-I335 PolarHBondContact O-N 3.1Å
317	F	97.9	Very high	94.3	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.9	174.5	-76.6	-76.3	0	0	0	110.7	V276 W277 A278 A286 L290 I315 I335 I339 L340 L346	V276-F317 HydrophobicContact CG2-CD2 3.57Å; V276-F317 HydrophobicContact CG2-CE2 3.59Å; W277-F317 PolarHBondContact O-N 2.95Å; A278-F317 HydrophobicContact CB-CB 4.23Å; A286-F317 HydrophobicContact CB-CD2 3.72Å; A286-F317 HydrophobicContact CB-CE2 3.56Å; A286-F317 HydrophobicContact CB-CZ 4.45Å; L290-F317 HydrophobicContact CD1-CE2 3.78Å; L290-F317 HydrophobicContact CD1-CZ 3.89Å; I315-F317 HydrophobicContact CG2-CD2 4.45Å; I315-F317 HydrophobicContact CG2-CE2 4.08Å; I315-F317 HydrophobicContact CG2-CZ 4.37Å; F317-I335 CarbonylContact C-O 3.57Å; F317-I335 VanDerWaalsContact CA-O 3.31Å; F317-I335 WeakPolarHBondContact CA-O 3.42Å; F317-I335 HydrophobicContact CD1-CB 4.07Å; F317-I335 HydrophobicContact CD1-CG2 4.06Å; F317-I335 HydrophobicContact CE1-CB 3.99Å; F317-I335 HydrophobicContact CE1-CG2 3.68Å; F317-I339 HydrophobicContact CE1-CG2 4.29Å; F317-L340 HydrophobicContact CD1-CD1 4.04Å; F317-L340 HydrophobicContact CD1-CD2 4.39Å; F317-L340 HydrophobicContact CD1-CG 4.02Å; F317-L340 HydrophobicContact CE1-CD1 4.14Å; F317-L340 HydrophobicContact CE1-CD2 3.67Å; F317-L340 HydrophobicContact CE1-CG 3.67Å; F317-L340 HydrophobicContact CE2-CD2 4.06Å; F317-L340 HydrophobicContact CG-CD1 4.21Å; F317-L340 HydrophobicContact CZ-CD1 4.44Å; F317-L340 HydrophobicContact CZ-CD2 3.48Å; F317-L340 VanDerWaalsContact CZ-CD2 3.48Å; F317-L340 HydrophobicContact CZ-CG 4.01Å; F317-L346 HydrophobicContact CE1-CD1 4.07Å; F317-L346 HydrophobicContact CZ-CD1 3.9Å
318	L	96.2	Very high	94.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	156.1	-178.9	-60.9	-172.8	0	0	0	112.2	F191 F193 V261 V316 F322 F334 I335 S337	F191-L318 HydrophobicContact CE1-CD2 3.83Å; F191-L318 HydrophobicContact CZ-CD2 3.89Å; F193-L318 HydrophobicContact CB-CD1 4.27Å; F193-L318 HydrophobicContact CB-CD2 4.2Å; F193-L318 HydrophobicContact CD2-CD1 4.07Å; F193-L318 HydrophobicContact CG-CD1 4.03Å; F193-L318 HydrophobicContact CG-CD2 4.5Å; V261-L318 HydrophobicContact CG2-CD2 3.77Å; V316-L318 HydrophobicContact CG1-CD2 4.38Å; V316-L318 HydrophobicContact CG2-CD2 4.18Å; L318-F322 HydrophobicContact CB-CB 3.99Å; L318-F322 HydrophobicContact CB-CD1 4.47Å; L318-F322 HydrophobicContact CB-CD2 4.49Å; L318-F322 HydrophobicContact CB-CG 4.09Å; L318-F322 HydrophobicContact CD1-CB 4.33Å; L318-F322 HydrophobicContact CD1-CD1 4.05Å; L318-F322 HydrophobicContact CD1-CD2 3.3Å; L318-F322 HydrophobicContact CD1-CE1 4.21Å; L318-F322 HydrophobicContact CD1-CE2 3.53Å; L318-F322 HydrophobicContact CD1-CG 3.65Å; L318-F322 HydrophobicContact CD1-CZ 3.99Å; L318-F322 HydrophobicContact CG-CG 4.49Å; L318-F334 HydrophobicContact CD1-CB 3.82Å; L318-F334 HydrophobicContact CD1-CD2 3.48Å; L318-F334 VanDerWaalsContact CD1-CD2 3.48Å; L318-F334 HydrophobicContact CD1-CE2 4.19Å; L318-F334 HydrophobicContact CD1-CG 3.84Å; L318-F334 HydrophobicContact CG-CB 4.34Å; L318-F334 HydrophobicContact CG-CD2 4.42Å; L318-F334 HydrophobicContact CG-CG 4.42Å; L318-I335 PolarHBondContact N-O 3.14Å; L318-S337 WeakPolarHBondContact O-CB 3.21Å; L318-S337 PolarHBondContact O-N 3.13Å; L318-S337 PolarHBondContact O-OG 3.21Å
319	P	93.1	Very high	94.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-58.5	164.6	176.3	-27.7	38.7	0	0	0	113.7	L179 F191 S321 F322	L179-P319 HydrophobicContact CD1-CB 3.73Å; L179-P319 HydrophobicContact CD1-CG 3.61Å; F191-P319 HydrophobicContact CD1-CG 4.16Å; F191-P319 HydrophobicContact CD2-CG 4.38Å; F191-P319 HydrophobicContact CE1-CG 4.3Å; F191-P319 HydrophobicContact CG-CG 4.21Å; F191-P319 HydrophobicContact CZ-CG 4.48Å; P319-S321 PolarHBondContact O-N 2.88Å; P319-F322 WeakPolarHBondContact O-CB 3.31Å; P319-F322 PolarHBondContact O-N 3.04Å
320	P	88.1	Confident	94.5	Very high	8 Å²	8	14.7 Å²	14.7	5%	0.052	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-12.2	-174	-17.1	33.3	0	0	0	113.7	Y185 F322 M628 S629	Y185-P320 HydrophobicContact CD2-CG 4.33Å; Y185-P320 HydrophobicContact CE2-CG 3.42Å; Y185-P320 VanDerWaalsContact CE2-CG 3.42Å; P320-F322 PolarHBondContact O-N 2.76Å; P320-M628 HydrophobicContact CB-CB 4.01Å; P320-M628 HydrophobicContact CG-CB 4.31Å; P320-S629 WeakPolarHBondContact O-CA 3.32Å
321	S	88.3	Confident	94.6	Very high	16 Å²	16	15.1 Å²	15.1	11%	0.112	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.7	174.2	59.5	0	0	0	0	113.7	L179 P319	L179-S321 WeakPolarHBondContact CD1-OG 3.29Å; L179-S321 VanDerWaalsContact CD2-OG 3.31Å; L179-S321 WeakPolarHBondContact CD2-OG 3.17Å; P319-S321 PolarHBondContact O-N 2.88Å
322	F	91.1	Very high	94.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.			trans	-54.8	124.7	173.3	-171.7	-132.8	0	0	0	108.9	F193 L318 P319 P320 I324 M327 F334 I336	F193-F322 AromaticContact CD2-CD2 3.96Å; F193-F322 HydrophobicContact CD2-CD2 3.96Å; F193-F322 HydrophobicContact CD2-CE2 4.29Å; F193-F322 AromaticContact CE2-CD2 3.53Å; F193-F322 HydrophobicContact CE2-CD2 3.53Å; F193-F322 HydrophobicContact CE2-CE2 4.15Å; F193-F322 HydrophobicContact CZ-CB 4.45Å; F193-F322 HydrophobicContact CZ-CD2 4.04Å; L318-F322 HydrophobicContact CB-CB 3.99Å; L318-F322 HydrophobicContact CB-CD1 4.47Å; L318-F322 HydrophobicContact CB-CD2 4.49Å; L318-F322 HydrophobicContact CB-CG 4.09Å; L318-F322 HydrophobicContact CD1-CB 4.33Å; L318-F322 HydrophobicContact CD1-CD1 4.05Å; L318-F322 HydrophobicContact CD1-CD2 3.3Å; L318-F322 HydrophobicContact CD1-CE1 4.21Å; L318-F322 HydrophobicContact CD1-CE2 3.53Å; L318-F322 HydrophobicContact CD1-CG 3.65Å; L318-F322 HydrophobicContact CD1-CZ 3.99Å; L318-F322 HydrophobicContact CG-CG 4.49Å; P319-F322 WeakPolarHBondContact O-CB 3.31Å; P319-F322 PolarHBondContact O-N 3.04Å; P320-F322 PolarHBondContact O-N 2.76Å; F322-I324 HydrophobicContact CD1-CG1 4.27Å; F322-I324 WeakPolarHBondContact CD1-O 3.44Å; F322-I324 HydrophobicContact CE1-CD1 4.41Å; F322-I324 HydrophobicContact CE1-CG1 3.55Å; F322-I324 WeakPolarHBondContact CE1-O 3.5Å; F322-I324 HydrophobicContact CE2-CG1 4.11Å; F322-I324 HydrophobicContact CZ-CD1 3.95Å; F322-I324 HydrophobicContact CZ-CG1 3.44Å; F322-I324 VanDerWaalsContact CZ-CG1 3.44Å; F322-I324 PolarHBondContact O-N 3.08Å; F322-M327 HydrophobicContact CZ-CB 4.22Å; F322-F334 HydrophobicContact CE1-CB 4.35Å; F322-F334 HydrophobicContact CE2-CD2 4.42Å; F322-F334 HydrophobicContact CZ-CB 4.01Å; F322-I336 HydrophobicContact CB-CB 4.41Å; F322-I336 HydrophobicContact CB-CD1 4.48Å; F322-I336 HydrophobicContact CB-CG1 4.22Å; F322-I336 HydrophobicContact CD1-CB 4.04Å
323	P	83.9	Confident	94.9	Very high	20 Å²	20	9 Å²	9	13%	0.13	5%	0.053	C	C	.	.	S	Bend	trans	-75.3	-11.2	-165.9	28.4	-37.4	0	0	0	114.6	W177 R630	W177-P323 HydrophobicContact CH2-CB 3.87Å; W177-P323 HydrophobicContact CH2-CG 4.13Å; W177-P323 HydrophobicContact CZ2-CB 3.8Å; W177-P323 HydrophobicContact CZ2-CG 3.65Å; P323-R630 WeakPolarHBondContact O-CD 3.4Å; P323-R630 PolarHBondContact O-NH1 3.47Å
324	I	87.3	Confident	94.9	Very high	61 Å²	61	8.9 Å²	8.9	31%	0.313	5%	0.053	S	C	.	.	S	Bend	trans	-134.3	179.1	-179.9	64.3	-179.8	0	0	0	109.5	Q195 F322 A326 M327	Q195-I324 HydrophobicContact CG-CD1 4.45Å; Q195-I324 VanDerWaalsContact NE2-CD1 3.27Å; F322-I324 HydrophobicContact CD1-CG1 4.27Å; F322-I324 WeakPolarHBondContact CD1-O 3.44Å; F322-I324 HydrophobicContact CE1-CD1 4.41Å; F322-I324 HydrophobicContact CE1-CG1 3.55Å; F322-I324 WeakPolarHBondContact CE1-O 3.5Å; F322-I324 HydrophobicContact CE2-CG1 4.11Å; F322-I324 HydrophobicContact CZ-CD1 3.95Å; F322-I324 HydrophobicContact CZ-CG1 3.44Å; F322-I324 VanDerWaalsContact CZ-CG1 3.44Å; F322-I324 PolarHBondContact O-N 3.08Å; I324-A326 WeakPolarHBondContact CD1-O 3.17Å; I324-M327 HydrophobicContact CD1-CB 4.22Å; I324-M327 HydrophobicContact CD1-SD 4.48Å
325	V	89.9	Confident	94.8	Very high	15 Å²	15	8.1 Å²	8.1	9%	0.091	5%	0.049	C	C	.	.	S	Bend	trans	-83.9	-48.5	-175.2	177	0	0	0	0	111.2	I335 I336 D349 M631 S723	V325-I335 CarbonylContact O-C 3.4Å; V325-I335 WeakPolarHBondContact O-CA 3.23Å; V325-I336 HydrophobicContact CG1-CG2 4.33Å; V325-I336 WeakPolarHBondContact O-CG2 3.14Å; V325-I336 PolarHBondContact O-N 3.37Å; V325-D349 HydrophobicContact CG1-CB 4.29Å; V325-D349 VanDerWaalsContact CG1-OD2 3.26Å; V325-D349 WeakPolarHBondContact CG1-OD2 3.31Å; V325-M631 HydrophobicContact CG2-CE 4.13Å; V325-M631 HydrophobicContact CG2-SD 3.27Å; V325-M631 WeakPolarHBondContact CG2-SD 3.44Å; V325-S723 VanDerWaalsContact CG2-CB 3.4Å; V325-S723 WeakPolarHBondContact CG2-OG 3.41Å
326	A	94.6	Very high	94.6	Very high	14 Å²	14	8.1 Å²	8.1	12%	0.116	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	164.7	-179	0	0	0	0	0	111.3	I324 F334 I335 E353	I324-A326 WeakPolarHBondContact CD1-O 3.17Å; A326-F334 CarbonylContact C-O 3.59Å; A326-F334 WeakPolarHBondContact CA-O 3.38Å; A326-F334 WeakPolarHBondContact CB-O 3.3Å; A326-I335 HydrophobicContact CB-CG1 4.24Å; A326-E353 HydrophobicContact CB-CG 3.65Å; A326-E353 VanDerWaalsContact CB-OE1 3.26Å; A326-E353 WeakPolarHBondContact CB-OE1 3.34Å
327	M	97.6	Very high	94.4	Very high	3 Å²	3	8.2 Å²	8.2	2%	0.015	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	133.8	175.4	-177.7	71.2	-147	0	0	110	Q195 H197 Y256 L257 F322 I324 N329 T333 F334	Q195-M327 PolarHBondContact NE2-SD 2.9Å; H197-M327 HydrophobicContact CB-CE 3.75Å; H197-M327 HydrophobicContact CB-SD 3.7Å; Y256-M327 HydrophobicContact CD2-CE 3.82Å; Y256-M327 HydrophobicContact CE2-CE 3.89Å; L257-M327 HydrophobicContact CD2-CE 3.58Å; F322-M327 HydrophobicContact CZ-CB 4.22Å; I324-M327 HydrophobicContact CD1-CB 4.22Å; I324-M327 HydrophobicContact CD1-SD 4.48Å; M327-N329 WeakPolarHBondContact CG-ND2 3.37Å; M327-N329 PolarHBondContact O-N 3.49Å; M327-T333 WeakPolarHBondContact O-CA 3.41Å; M327-F334 HydrophobicContact CB-CB 4.23Å; M327-F334 PolarHBondContact N-O 3.07Å; M327-F334 PolarHBondContact O-N 2.92Å
328	E	98	Very high	94	Very high	9 Å²	9	8.3 Å²	8.3	4%	0.042	5%	0.05	C	C	.	.			trans	-81.2	23.3	-166.6	70	-86.4	-160.5	0	0	114.5	L257 P330 E353 H356 N361	L257-E328 HydrophobicContact CD2-CG 3.99Å; E328-P330 WeakPolarHBondContact O-CD 3.49Å; E328-E353 WeakPolarHBondContact CA-OE2 3.24Å; E328-E353 WeakPolarHBondContact CB-OE2 3.29Å; E328-E353 PolarHBondContact N-OE2 3.47Å; E328-H356 HydrophobicContact CB-CB 3.29Å; E328-H356 HydrophobicContact CG-CB 3.65Å; E328-N361 VanDerWaalsContact CG-OD1 3.22Å; E328-N361 WeakPolarHBondContact CG-OD1 3.38Å; E328-N361 PolarHBondContact O-ND2 3.49Å
329	N	98.6	Very high	93.7	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.011	5%	0.05	C	C	.	.			trans	-48.4	119	-175	-62.9	-53.5	0	0	0	110.3	A259 M327 C331 L332 T333 F334	A259-N329 HydrophobicContact CB-CB 3.93Å; A259-N329 WeakPolarHBondContact CB-OD1 3.3Å; M327-N329 WeakPolarHBondContact CG-ND2 3.37Å; M327-N329 PolarHBondContact O-N 3.49Å; N329-C331 PolarHBondContact O-N 3.03Å; N329-L332 WeakPolarHBondContact CB-O 3.27Å; N329-L332 CarbonylContact O-C 3.57Å; N329-L332 PolarHBondContact O-N 2.86Å; N329-T333 PolarHBondContact O-N 2.93Å; N329-F334 WeakPolarHBondContact ND2-CG 3.38Å
330	P	98	Very high	93.7	Very high	4 Å²	4	8.8 Å²	8.8	3%	0.026	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	139	-170.3	-26.5	32.5	0	0	0	112	S232 M249 V253 L257 W310 E328 L332 N361	S232-P330 CarbonylContact C-O 3.58Å; S232-P330 VanDerWaalsContact C-O 3.28Å; S232-P330 WeakPolarHBondContact CA-O 3.21Å; S232-P330 VanDerWaalsContact CB-O 3.23Å; S232-P330 WeakPolarHBondContact CB-O 3.36Å; M249-P330 HydrophobicContact CE-CB 3.73Å; V253-P330 HydrophobicContact CG1-CG 4.09Å; L257-P330 HydrophobicContact CB-CG 4.27Å; L257-P330 HydrophobicContact CD1-CG 3.78Å; W310-P330 HydrophobicContact CD2-CB 4.17Å; W310-P330 HydrophobicContact CE3-CB 3.7Å; W310-P330 HydrophobicContact CE3-CG 4.48Å; W310-P330 HydrophobicContact CH2-CB 4.45Å; W310-P330 HydrophobicContact CH2-CG 4.4Å; W310-P330 HydrophobicContact CZ3-CB 3.84Å; W310-P330 HydrophobicContact CZ3-CG 4.16Å; E328-P330 WeakPolarHBondContact O-CD 3.49Å; P330-L332 PolarHBondContact O-N 3.18Å; P330-N361 HydrophobicContact CG-CB 4.28Å
331	C	98.4	Very high	93.9	Very high	10 Å²	10	13 Å²	13	7%	0.068	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	-13.5	-174.9	-45.6	0	0	0	0	116	A233 W310 R312 D314 N329	A233-C331 WeakPolarHBondContact O-CB 3.4Å; W310-C331 PolarHBondContact O-SG 2.94Å; R312-C331 WeakPolarHBondContact O-CA 3.43Å; D314-C331 WeakPolarHBondContact CB-O 2.88Å; D314-C331 PolarHBondContact N-O 3.14Å; N329-C331 PolarHBondContact O-N 3.03Å
332	L	98.6	Very high	94.1	Very high	5 Å²	5	12.4 Å²	12.4	3%	0.026	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	75	-172.8	-173	68.6	0	0	0	111.6	L230 V261 D314 V316 N329 P330 F334	L230-L332 HydrophobicContact CB-CD1 4.38Å; L230-L332 HydrophobicContact CB-CD2 3.42Å; L230-L332 VanDerWaalsContact CB-CD2 3.42Å; L230-L332 HydrophobicContact CD1-CD1 4.08Å; L230-L332 HydrophobicContact CD1-CD2 4.44Å; V261-L332 HydrophobicContact CG1-CD2 4.2Å; D314-L332 HydrophobicContact CB-CD1 4.07Å; D314-L332 CarbonylContact O-C 3.59Å; D314-L332 VanDerWaalsContact O-CA 3.3Å; D314-L332 WeakPolarHBondContact O-CA 2.95Å; V316-L332 HydrophobicContact CB-CD1 4.18Å; V316-L332 HydrophobicContact CG1-CD1 4.1Å; V316-L332 HydrophobicContact CG1-CG 4.05Å; N329-L332 WeakPolarHBondContact CB-O 3.27Å; N329-L332 CarbonylContact O-C 3.57Å; N329-L332 PolarHBondContact O-N 2.86Å; P330-L332 PolarHBondContact O-N 3.18Å; L332-F334 HydrophobicContact CD2-CE1 3.75Å; L332-F334 HydrophobicContact CG-CD1 4.35Å; L332-F334 HydrophobicContact CG-CE1 3.92Å; L332-F334 VanDerWaalsContact O-CD1 3.27Å; L332-F334 WeakPolarHBondContact O-CD1 3.45Å; L332-F334 PolarHBondContact O-N 3.13Å
333	T	98.7	Very high	94.3	Very high	3 Å²	3	17 Å²	17	2%	0.018	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	129.1	178.5	-65.3	0	0	0	0	111	Y313 D314 I315 V316 M327 N329 I335 E353	Y313-T333 PolarHBondContact OH-OG1 3.29Å; Y313-T333 VanDerWaalsContact OH-OG1 3.13Å; D314-T333 PolarHBondContact O-N 2.99Å; I315-T333 CarbonylContact C-O 3.52Å; I315-T333 WeakPolarHBondContact CA-O 3.36Å; V316-T333 PolarHBondContact N-O 2.94Å; M327-T333 WeakPolarHBondContact O-CA 3.41Å; N329-T333 PolarHBondContact O-N 2.93Å; T333-I335 HydrophobicContact CG2-CD1 4.12Å; T333-I335 HydrophobicContact CG2-CG1 3.85Å; T333-E353 HydrophobicContact CG2-CB 3.48Å; T333-E353 VanDerWaalsContact CG2-CB 3.48Å; T333-E353 HydrophobicContact CG2-CG 3.52Å
334	F	98.6	Very high	94.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.7	176	-73.7	12.8	0	0	0	108.9	F193 T194 A259 V261 V316 L318 F322 A326 M327 N329 L332	F193-F334 HydrophobicContact CB-CE2 4.3Å; T194-F334 WeakPolarHBondContact O-CE2 3.12Å; A259-F334 HydrophobicContact CB-CE1 4.45Å; A259-F334 HydrophobicContact CB-CE2 4.26Å; A259-F334 HydrophobicContact CB-CZ 3.95Å; V261-F334 HydrophobicContact CB-CE1 4.3Å; V261-F334 HydrophobicContact CB-CE2 4.36Å; V261-F334 HydrophobicContact CB-CZ 3.71Å; V261-F334 HydrophobicContact CG1-CE1 3.96Å; V261-F334 HydrophobicContact CG1-CZ 3.85Å; V316-F334 HydrophobicContact CG1-CB 4.47Å; V316-F334 HydrophobicContact CG1-CD1 3.12Å; V316-F334 HydrophobicContact CG1-CE1 3.42Å; V316-F334 VanDerWaalsContact CG1-CE1 3.42Å; V316-F334 HydrophobicContact CG1-CG 3.97Å; V316-F334 HydrophobicContact CG1-CZ 4.44Å; L318-F334 HydrophobicContact CD1-CB 3.82Å; L318-F334 HydrophobicContact CD1-CD2 3.48Å; L318-F334 VanDerWaalsContact CD1-CD2 3.48Å; L318-F334 HydrophobicContact CD1-CE2 4.19Å; L318-F334 HydrophobicContact CD1-CG 3.84Å; L318-F334 HydrophobicContact CG-CB 4.34Å; L318-F334 HydrophobicContact CG-CD2 4.42Å; L318-F334 HydrophobicContact CG-CG 4.42Å; F322-F334 HydrophobicContact CE1-CB 4.35Å; F322-F334 HydrophobicContact CE2-CD2 4.42Å; F322-F334 HydrophobicContact CZ-CB 4.01Å; A326-F334 CarbonylContact C-O 3.59Å; A326-F334 WeakPolarHBondContact CA-O 3.38Å; A326-F334 WeakPolarHBondContact CB-O 3.3Å; M327-F334 HydrophobicContact CB-CB 4.23Å; M327-F334 PolarHBondContact N-O 3.07Å; M327-F334 PolarHBondContact O-N 2.92Å; N329-F334 WeakPolarHBondContact ND2-CG 3.38Å; L332-F334 HydrophobicContact CD2-CE1 3.75Å; L332-F334 HydrophobicContact CG-CD1 4.35Å; L332-F334 HydrophobicContact CG-CE1 3.92Å; L332-F334 VanDerWaalsContact O-CD1 3.27Å; L332-F334 WeakPolarHBondContact O-CD1 3.45Å; L332-F334 PolarHBondContact O-N 3.13Å
335	I	97.2	Very high	95.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.1	179	-55.9	-172.9	0	0	0	110.2	I315 V316 F317 L318 V325 A326 T333 S337 I339 V350	I315-I335 HydrophobicContact CG2-CB 4.49Å; I315-I335 HydrophobicContact CG2-CD1 3.59Å; I315-I335 HydrophobicContact CG2-CG1 3.96Å; V316-I335 PolarHBondContact O-N 3.1Å; F317-I335 CarbonylContact C-O 3.57Å; F317-I335 VanDerWaalsContact CA-O 3.31Å; F317-I335 WeakPolarHBondContact CA-O 3.42Å; F317-I335 HydrophobicContact CD1-CB 4.07Å; F317-I335 HydrophobicContact CD1-CG2 4.06Å; F317-I335 HydrophobicContact CE1-CB 3.99Å; F317-I335 HydrophobicContact CE1-CG2 3.68Å; L318-I335 PolarHBondContact N-O 3.14Å; V325-I335 CarbonylContact O-C 3.4Å; V325-I335 WeakPolarHBondContact O-CA 3.23Å; A326-I335 HydrophobicContact CB-CG1 4.24Å; T333-I335 HydrophobicContact CG2-CD1 4.12Å; T333-I335 HydrophobicContact CG2-CG1 3.85Å; I335-S337 PolarHBondContact O-N 3.5Å; I335-I339 HydrophobicContact CG2-CG2 3.58Å; I335-V350 HydrophobicContact CD1-CB 4.45Å; I335-V350 HydrophobicContact CD1-CG2 3.43Å; I335-V350 VanDerWaalsContact CD1-CG2 3.43Å
336	I	94.1	Very high	95.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	124.6	172.1	-164	170.8	0	0	0	110.2	F322 V325 S338 I339 M631	F322-I336 HydrophobicContact CB-CB 4.41Å; F322-I336 HydrophobicContact CB-CD1 4.48Å; F322-I336 HydrophobicContact CB-CG1 4.22Å; F322-I336 HydrophobicContact CD1-CB 4.04Å; V325-I336 HydrophobicContact CG1-CG2 4.33Å; V325-I336 WeakPolarHBondContact O-CG2 3.14Å; V325-I336 PolarHBondContact O-N 3.37Å; I336-S338 WeakPolarHBondContact CD1-OG 3.41Å; I336-S338 WeakPolarHBondContact CG1-OG 3.27Å; I336-S338 PolarHBondContact O-N 2.93Å; I336-S338 VanDerWaalsContact O-N 3.17Å; I336-I339 HydrophobicContact CG2-CB 4.21Å; I336-I339 WeakPolarHBondContact O-CG2 3.11Å; I336-I339 PolarHBondContact O-N 3.26Å; I336-M631 HydrophobicContact CG2-CE 4.19Å
337	S	93.4	Very high	95.5	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.014	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-57	-27.5	177.6	48.4	0	0	0	0	115.3	Y185 L318 I335 I339 L340	Y185-S337 WeakPolarHBondContact CE2-OG 3.41Å; Y185-S337 PolarHBondContact OH-OG 3.33Å; Y185-S337 VanDerWaalsContact OH-OG 3.13Å; L318-S337 WeakPolarHBondContact O-CB 3.21Å; L318-S337 PolarHBondContact O-N 3.13Å; L318-S337 PolarHBondContact O-OG 3.21Å; I335-S337 PolarHBondContact O-N 3.5Å; S337-I339 PolarHBondContact O-N 3.35Å; S337-L340 VanDerWaalsContact O-CB 3.24Å; S337-L340 WeakPolarHBondContact O-CB 3.32Å; S337-L340 WeakPolarHBondContact O-CG 3.42Å; S337-L340 PolarHBondContact O-N 3.17Å
338	S	89.4	Confident	95.4	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.014	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-62.4	-23.6	179.7	59.8	0	0	0	0	112.8	I336 L340 E341	I336-S338 WeakPolarHBondContact CD1-OG 3.41Å; I336-S338 WeakPolarHBondContact CG1-OG 3.27Å; I336-S338 PolarHBondContact O-N 2.93Å; I336-S338 VanDerWaalsContact O-N 3.17Å; S338-L340 PolarHBondContact O-N 2.82Å; S338-E341 PolarHBondContact O-N 3.34Å
339	I	91.4	Very high	95.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-67.1	-19.6	177.1	-149.1	65.2	0	0	0	112.3	F317 I335 I336 S337 E341 S342 F345 L346	F317-I339 HydrophobicContact CE1-CG2 4.29Å; I335-I339 HydrophobicContact CG2-CG2 3.58Å; I336-I339 HydrophobicContact CG2-CB 4.21Å; I336-I339 WeakPolarHBondContact O-CG2 3.11Å; I336-I339 PolarHBondContact O-N 3.26Å; S337-I339 PolarHBondContact O-N 3.35Å; I339-E341 PolarHBondContact O-N 2.79Å; I339-S342 PolarHBondContact O-N 2.94Å; I339-S342 VanDerWaalsContact O-O 3.11Å; I339-F345 HydrophobicContact CD1-CB 3.71Å; I339-F345 HydrophobicContact CG1-CB 4.11Å; I339-L346 HydrophobicContact CG2-CB 4.38Å; I339-L346 HydrophobicContact CG2-CD1 3.72Å
340	L	93.3	Very high	95.3	Very high	11 Å²	11	14 Å²	14	6%	0.058	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-60.6	-16.6	176.7	-73.2	170.2	0	0	0	112.9	L282 A286 K289 F317 S337 S338 S342 L346	L282-L340 HydrophobicContact CD2-CD1 4.38Å; A286-L340 HydrophobicContact CB-CD1 4.32Å; A286-L340 HydrophobicContact CB-CD2 4.16Å; K289-L340 HydrophobicContact CD-CD2 4.3Å; K289-L340 WeakPolarHBondContact CE-O 3.27Å; K289-L340 PolarHBondContact NZ-O 2.64Å; F317-L340 HydrophobicContact CD1-CD1 4.04Å; F317-L340 HydrophobicContact CD1-CD2 4.39Å; F317-L340 HydrophobicContact CD1-CG 4.02Å; F317-L340 HydrophobicContact CE1-CD1 4.14Å; F317-L340 HydrophobicContact CE1-CD2 3.67Å; F317-L340 HydrophobicContact CE1-CG 3.67Å; F317-L340 HydrophobicContact CE2-CD2 4.06Å; F317-L340 HydrophobicContact CG-CD1 4.21Å; F317-L340 HydrophobicContact CZ-CD1 4.44Å; F317-L340 HydrophobicContact CZ-CD2 3.48Å; F317-L340 VanDerWaalsContact CZ-CD2 3.48Å; F317-L340 HydrophobicContact CZ-CG 4.01Å; S337-L340 VanDerWaalsContact O-CB 3.24Å; S337-L340 WeakPolarHBondContact O-CB 3.32Å; S337-L340 WeakPolarHBondContact O-CG 3.42Å; S337-L340 PolarHBondContact O-N 3.17Å; S338-L340 PolarHBondContact O-N 2.82Å; L340-S342 PolarHBondContact O-N 2.93Å; L340-L346 HydrophobicContact CD2-CD2 4.14Å
341	E	91.3	Very high	95.3	Very high	96 Å²	96	13.9 Å²	13.9	45%	0.449	7%	0.072	S	C	.	.	G	3₁₀ helix	trans	-68.8	-21.5	173.4	-66.6	-171.4	-164.5	0	0	113	S338 I339 N597 A598	S338-E341 PolarHBondContact O-N 3.34Å; I339-E341 PolarHBondContact O-N 2.79Å; E341-N597 HydrophobicContact CB-CB 4.04Å; E341-N597 VanDerWaalsContact O-CB 3.3Å; E341-N597 WeakPolarHBondContact O-CB 3.41Å; E341-A598 WeakPolarHBondContact OE2-CB 3.33Å; E341-A598 PolarHBondContact OE2-N 3.26Å; E341-A598 VanDerWaalsContact OE2-N 3.08Å
342	S	93.4	Very high	95.3	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.021	7%	0.073	C	C	.	.			trans	-123.5	117.1	-172.6	-173.3	0	0	0	0	111.9	I339 L340 F345 L346	I339-S342 PolarHBondContact O-N 2.94Å; I339-S342 VanDerWaalsContact O-O 3.11Å; L340-S342 PolarHBondContact O-N 2.93Å; S342-F345 VanDerWaalsContact OG-CD2 3.24Å; S342-F345 WeakPolarHBondContact OG-CD2 3.39Å; S342-L346 WeakPolarHBondContact O-CB 3.35Å; S342-L346 PolarHBondContact O-N 3.22Å; S342-L346 VanDerWaalsContact O-N 3.13Å
343	D	94	Very high	95.3	Very high	97 Å²	97	14.6 Å²	14.6	52%	0.519	8%	0.075	S	C	.	.	H	α-helix	trans	-66	-46.2	179.5	-68.7	-29	0	0	0	112	K289 L346 V347	K289-D343 WeakPolarHBondContact CD-OD1 3.34Å; K289-D343 VanDerWaalsContact CE-OD1 3.22Å; K289-D343 WeakPolarHBondContact CE-OD1 3.37Å; K289-D343 IonicContact NZ-OD1 3.9Å; K289-D343 PolarHBondContact NZ-OD1 3.39Å; D343-L346 PolarHBondContact O-N 3.03Å; D343-V347 WeakPolarHBondContact O-CB 3.38Å; D343-V347 WeakPolarHBondContact O-CG2 3.36Å; D343-V347 PolarHBondContact O-N 3.19Å
344	E	95.4	Very high	95.3	Very high	20 Å²	20	14.5 Å²	14.5	9%	0.093	7%	0.074	C	C	.	.	H	α-helix	trans	-71.2	-38.7	-173.7	-64	-171.8	154.6	0	0	112.2	V347 I348 F394 R560 T561 F562	E344-V347 PolarHBondContact O-N 3.09Å; E344-I348 WeakPolarHBondContact O-CG2 3.37Å; E344-I348 PolarHBondContact O-N 3.46Å; E344-I348 VanDerWaalsContact O-N 3.16Å; E344-F394 HydrophobicContact CB-CE2 4.34Å; E344-F394 HydrophobicContact CB-CZ 4.28Å; E344-F394 HydrophobicContact CG-CE2 4.01Å; E344-F394 HydrophobicContact CG-CZ 4.32Å; E344-R560 VanDerWaalsContact OE1-CB 3.31Å; E344-R560 WeakPolarHBondContact OE1-CB 3.23Å; E344-R560 WeakPolarHBondContact OE1-CD 3.37Å; E344-R560 VanDerWaalsContact OE1-CG 3.29Å; E344-R560 WeakPolarHBondContact OE1-CG 3.14Å; E344-R560 IonicContact OE1-CZ 3.3Å; E344-R560 IonicContact OE1-NH1 3.53Å; E344-R560 PolarHBondContact OE1-NH1 3.32Å; E344-T561 WeakPolarHBondContact OE2-CA 3.41Å; E344-T561 VanDerWaalsContact OE2-CB 3.28Å; E344-T561 WeakPolarHBondContact OE2-CB 3.27Å; E344-T561 PolarHBondContact OE2-N 3.02Å; E344-F562 HydrophobicContact CB-CD2 4.09Å; E344-F562 HydrophobicContact CB-CE2 3.7Å; E344-F562 HydrophobicContact CB-CZ 4.27Å; E344-F562 PolarHBondContact OE2-N 3.03Å; E344-F562 VanDerWaalsContact OE2-N 3.11Å
345	F	94.8	Very high	95.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-68.4	-44.3	175	-77.4	-96.6	0	0	0	111.5	I339 S342 V347 I348 D349 F401 T561 F562 E599 S723	I339-F345 HydrophobicContact CD1-CB 3.71Å; I339-F345 HydrophobicContact CG1-CB 4.11Å; S342-F345 VanDerWaalsContact OG-CD2 3.24Å; S342-F345 WeakPolarHBondContact OG-CD2 3.39Å; F345-V347 VanDerWaalsContact C-N 3.27Å; F345-V347 PolarHBondContact O-N 3.02Å; F345-I348 VanDerWaalsContact O-CG1 3.3Å; F345-I348 WeakPolarHBondContact O-CG1 3.13Å; F345-I348 PolarHBondContact O-N 2.87Å; F345-D349 WeakPolarHBondContact O-CB 3.2Å; F345-D349 VanDerWaalsContact O-CG 3.26Å; F345-D349 PolarHBondContact O-N 2.98Å; F345-F401 AromaticContact CE1-CE1 3.88Å; F345-F401 HydrophobicContact CE1-CE1 3.88Å; F345-F401 HydrophobicContact CE1-CZ 4.02Å; F345-F401 HydrophobicContact CZ-CE1 4.01Å; F345-F401 AromaticContact CZ-CZ 3.84Å; F345-F401 HydrophobicContact CZ-CZ 3.84Å; F345-T561 HydrophobicContact CD2-CG2 4.05Å; F345-T561 HydrophobicContact CE2-CG2 3.78Å; F345-F562 HydrophobicContact CD1-CE1 4.06Å; F345-F562 HydrophobicContact CD1-CZ 4.37Å; F345-F562 AromaticContact CD2-CE1 3.88Å; F345-F562 HydrophobicContact CD2-CE1 3.88Å; F345-F562 HydrophobicContact CD2-CZ 4.14Å; F345-F562 AromaticContact CE1-CE1 3.71Å; F345-F562 HydrophobicContact CE1-CE1 3.71Å; F345-F562 HydrophobicContact CE1-CZ 4.45Å; F345-F562 HydrophobicContact CE2-CD1 4.03Å; F345-F562 AromaticContact CE2-CE1 3.58Å; F345-F562 HydrophobicContact CE2-CE1 3.58Å; F345-F562 HydrophobicContact CE2-CZ 4.3Å; F345-F562 HydrophobicContact CG-CE1 4.17Å; F345-F562 HydrophobicContact CG-CZ 4.24Å; F345-F562 HydrophobicContact CZ-CD1 4.03Å; F345-F562 AromaticContact CZ-CE1 3.5Å; F345-F562 HydrophobicContact CZ-CE1 3.5Å; F345-F562 VanDerWaalsContact CZ-CE1 3.5Å; F345-F562 HydrophobicContact CZ-CZ 4.46Å; F345-E599 HydrophobicContact CD1-CG 4.27Å; F345-E599 HydrophobicContact CD2-CB 4.27Å; F345-E599 HydrophobicContact CD2-CG 3.85Å; F345-E599 HydrophobicContact CE1-CG 4.23Å; F345-E599 HydrophobicContact CE2-CB 3.76Å; F345-E599 HydrophobicContact CE2-CG 3.75Å; F345-E599 HydrophobicContact CG-CG 4.07Å; F345-E599 HydrophobicContact CZ-CB 4.04Å; F345-E599 HydrophobicContact CZ-CG 3.95Å; F345-S723 VanDerWaalsContact CE1-O 3.29Å; F345-S723 WeakPolarHBondContact CE1-O 3.25Å
346	L	96.3	Very high	95.4	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-55.3	-43.2	173.8	174.5	67.5	0	0	0	111.8	K289 L290 F317 I339 L340 S342 D343 V350	K289-L346 HydrophobicContact CB-CD2 3.84Å; K289-L346 HydrophobicContact CD-CD2 3.86Å; K289-L346 HydrophobicContact CG-CD2 4.48Å; L290-L346 HydrophobicContact CD2-CD1 4.44Å; L290-L346 HydrophobicContact CD2-CD2 4.05Å; L290-L346 HydrophobicContact CD2-CG 4.25Å; L290-L346 HydrophobicContact CG-CD2 4.47Å; F317-L346 HydrophobicContact CE1-CD1 4.07Å; F317-L346 HydrophobicContact CZ-CD1 3.9Å; I339-L346 HydrophobicContact CG2-CB 4.38Å; I339-L346 HydrophobicContact CG2-CD1 3.72Å; L340-L346 HydrophobicContact CD2-CD2 4.14Å; S342-L346 WeakPolarHBondContact O-CB 3.35Å; S342-L346 PolarHBondContact O-N 3.22Å; S342-L346 VanDerWaalsContact O-N 3.13Å; D343-L346 PolarHBondContact O-N 3.03Å; L346-V350 HydrophobicContact CD1-CG2 3.79Å; L346-V350 HydrophobicContact CG-CG2 4.34Å; L346-V350 WeakPolarHBondContact O-CB 3.35Å; L346-V350 WeakPolarHBondContact O-CG2 3.46Å; L346-V350 PolarHBondContact O-N 2.94Å
347	V	95.4	Very high	95.6	Very high	21 Å²	21	14.7 Å²	14.7	13%	0.127	8%	0.075	C	C	.	.	H	α-helix	trans	-61	-52.8	179.2	165.5	0	0	0	0	111.1	W297 D343 E344 F345 D349 V350 I351 Y390	W297-V347 HydrophobicContact CH2-CG2 4.39Å; W297-V347 HydrophobicContact CZ2-CB 4.39Å; W297-V347 HydrophobicContact CZ2-CG1 4.15Å; W297-V347 HydrophobicContact CZ2-CG2 3.99Å; D343-V347 WeakPolarHBondContact O-CB 3.38Å; D343-V347 WeakPolarHBondContact O-CG2 3.36Å; D343-V347 PolarHBondContact O-N 3.19Å; E344-V347 PolarHBondContact O-N 3.09Å; F345-V347 VanDerWaalsContact C-N 3.27Å; F345-V347 PolarHBondContact O-N 3.02Å; V347-D349 VanDerWaalsContact C-N 3.34Å; V347-D349 PolarHBondContact O-N 3.36Å; V347-V350 PolarHBondContact O-N 3.33Å; V347-I351 HydrophobicContact CG1-CD1 3.64Å; V347-I351 WeakPolarHBondContact O-CB 3.4Å; V347-I351 WeakPolarHBondContact O-CD1 3.21Å; V347-I351 WeakPolarHBondContact O-CG1 3.48Å; V347-I351 PolarHBondContact O-N 2.97Å; V347-Y390 HydrophobicContact CG1-CD2 4.2Å; V347-Y390 HydrophobicContact CG1-CE2 3.46Å; V347-Y390 VanDerWaalsContact CG1-CE2 3.46Å
348	I	95.9	Very high	95.9	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-68.1	-37.6	-173.8	62.9	158.2	0	0	0	111.7	E344 F345 I351 H352 F394 E398 R402 F562	E344-I348 WeakPolarHBondContact O-CG2 3.37Å; E344-I348 PolarHBondContact O-N 3.46Å; E344-I348 VanDerWaalsContact O-N 3.16Å; F345-I348 VanDerWaalsContact O-CG1 3.3Å; F345-I348 WeakPolarHBondContact O-CG1 3.13Å; F345-I348 PolarHBondContact O-N 2.87Å; I348-I351 PolarHBondContact O-N 3.18Å; I348-H352 PolarHBondContact O-N 3.17Å; I348-F394 HydrophobicContact CG2-CE1 4.2Å; I348-F394 HydrophobicContact CG2-CZ 4.28Å; I348-E398 WeakPolarHBondContact CB-OE1 3.43Å; I348-E398 HydrophobicContact CD1-CG 4.11Å; I348-E398 WeakPolarHBondContact CD1-OE1 3.45Å; I348-E398 HydrophobicContact CG2-CG 4.05Å; I348-E398 WeakPolarHBondContact CG2-OE1 3.24Å; I348-E398 WeakPolarHBondContact CG2-OE2 3.38Å; I348-R402 VanDerWaalsContact CD1-NH2 3.32Å; I348-F562 HydrophobicContact CD1-CE1 4.21Å; I348-F562 HydrophobicContact CD1-CE2 4.36Å; I348-F562 HydrophobicContact CD1-CZ 3.51Å; I348-F562 HydrophobicContact CG1-CZ 4.05Å; I348-F562 HydrophobicContact CG2-CE2 4.16Å; I348-F562 HydrophobicContact CG2-CZ 4.33Å
349	D	95.5	Very high	96.3	Very high	16 Å²	16	14.7 Å²	14.7	9%	0.086	7%	0.074	C	C	.	.	H	α-helix	trans	-68.9	-46.4	-179.8	-65.4	-28.5	0	0	0	109.7	V325 F345 V347 I351 H352 E353 R402	V325-D349 HydrophobicContact CG1-CB 4.29Å; V325-D349 VanDerWaalsContact CG1-OD2 3.26Å; V325-D349 WeakPolarHBondContact CG1-OD2 3.31Å; F345-D349 WeakPolarHBondContact O-CB 3.2Å; F345-D349 VanDerWaalsContact O-CG 3.26Å; F345-D349 PolarHBondContact O-N 2.98Å; V347-D349 VanDerWaalsContact C-N 3.34Å; V347-D349 PolarHBondContact O-N 3.36Å; D349-I351 VanDerWaalsContact C-N 3.3Å; D349-I351 PolarHBondContact O-N 3.24Å; D349-H352 VanDerWaalsContact O-CB 3.29Å; D349-H352 WeakPolarHBondContact O-CB 3.35Å; D349-H352 PolarHBondContact O-N 2.79Å; D349-H352 VanDerWaalsContact O-N 3.12Å; D349-E353 WeakPolarHBondContact O-CG 3.33Å; D349-E353 PolarHBondContact O-N 3.41Å; D349-R402 IonicContact OD1-NH2 3.33Å
350	V	97.9	Very high	96.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63	-37.7	176.8	-177.2	0	0	0	0	111.5	L290 W297 Y313 I315 I335 L346 V347 H352 E353 V354	L290-V350 HydrophobicContact CD2-CG2 4.3Å; W297-V350 HydrophobicContact CE3-CB 4.28Å; W297-V350 HydrophobicContact CE3-CG1 3.79Å; W297-V350 HydrophobicContact CH2-CB 4.34Å; W297-V350 HydrophobicContact CH2-CG1 4.47Å; W297-V350 HydrophobicContact CZ3-CB 3.66Å; W297-V350 HydrophobicContact CZ3-CG1 3.4Å; W297-V350 HydrophobicContact CZ3-CG2 4.37Å; Y313-V350 HydrophobicContact CE1-CG1 4.37Å; Y313-V350 PolarHBondContact OH-O 2.65Å; I315-V350 HydrophobicContact CD1-CG1 3.8Å; I335-V350 HydrophobicContact CD1-CB 4.45Å; I335-V350 HydrophobicContact CD1-CG2 3.43Å; I335-V350 VanDerWaalsContact CD1-CG2 3.43Å; L346-V350 HydrophobicContact CD1-CG2 3.79Å; L346-V350 HydrophobicContact CG-CG2 4.34Å; L346-V350 WeakPolarHBondContact O-CB 3.35Å; L346-V350 WeakPolarHBondContact O-CG2 3.46Å; L346-V350 PolarHBondContact O-N 2.94Å; V347-V350 PolarHBondContact O-N 3.33Å; V350-H352 VanDerWaalsContact C-N 3.32Å; V350-H352 PolarHBondContact O-N 2.61Å; V350-E353 PolarHBondContact O-N 3.22Å; V350-V354 WeakPolarHBondContact O-CG2 3.4Å; V350-V354 PolarHBondContact O-N 3.13Å
351	I	98.7	Very high	96.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.8	-36.5	176.8	-66.8	168.8	0	0	0	111.1	W297 V347 I348 D349 E353 V354 A355 Q382 I385 Y390	W297-I351 HydrophobicContact CB-CG1 4.26Å; W297-I351 HydrophobicContact CD2-CD1 4.21Å; W297-I351 HydrophobicContact CD2-CG1 3.65Å; W297-I351 HydrophobicContact CE3-CG1 4.1Å; W297-I351 HydrophobicContact CG-CD1 4.15Å; W297-I351 HydrophobicContact CG-CG1 3.71Å; V347-I351 HydrophobicContact CG1-CD1 3.64Å; V347-I351 WeakPolarHBondContact O-CB 3.4Å; V347-I351 WeakPolarHBondContact O-CD1 3.21Å; V347-I351 WeakPolarHBondContact O-CG1 3.48Å; V347-I351 PolarHBondContact O-N 2.97Å; I348-I351 PolarHBondContact O-N 3.18Å; D349-I351 VanDerWaalsContact C-N 3.3Å; D349-I351 PolarHBondContact O-N 3.24Å; I351-E353 VanDerWaalsContact C-N 3.34Å; I351-V354 WeakPolarHBondContact O-CB 3.44Å; I351-V354 PolarHBondContact O-N 3.46Å; I351-A355 PolarHBondContact O-N 3.16Å; I351-Q382 HydrophobicContact CB-CG 4.2Å; I351-Q382 HydrophobicContact CG2-CB 4.25Å; I351-Q382 HydrophobicContact CG2-CG 3.86Å; I351-I385 HydrophobicContact CG1-CG2 4.47Å; I351-I385 HydrophobicContact CG2-CB 3.63Å; I351-I385 HydrophobicContact CG2-CD1 4.12Å; I351-I385 HydrophobicContact CG2-CG2 3.55Å; I351-Y390 HydrophobicContact CD1-CD2 4.47Å; I351-Y390 HydrophobicContact CD1-CE2 3.96Å
352	H	98.7	Very high	97.2	Very high	18 Å²	18	9.6 Å²	9.6	8%	0.083	5%	0.051	C	C	.	.	H	α-helix	trans	-57.6	-48.6	172.4	-168.9	81.3	0	0	0	110.9	I348 D349 V350 V354 A355 H356 E375 T379 Q382 Y441	I348-H352 PolarHBondContact O-N 3.17Å; D349-H352 VanDerWaalsContact O-CB 3.29Å; D349-H352 WeakPolarHBondContact O-CB 3.35Å; D349-H352 PolarHBondContact O-N 2.79Å; D349-H352 VanDerWaalsContact O-N 3.12Å; V350-H352 VanDerWaalsContact C-N 3.32Å; V350-H352 PolarHBondContact O-N 2.61Å; H352-V354 VanDerWaalsContact C-N 3.3Å; H352-V354 PolarHBondContact O-N 2.79Å; H352-A355 WeakPolarHBondContact O-CB 3.49Å; H352-A355 PolarHBondContact O-N 2.97Å; H352-H356 AromaticContact CD2-CD2 3.47Å; H352-H356 PolarHBondContact CD2-CD2 3.15Å; H352-H356 VanDerWaalsContact CD2-CD2 3.47Å; H352-H356 AromaticContact CD2-NE2 3.27Å; H352-H356 PolarHBondContact CD2-NE2 2.93Å; H352-H356 VanDerWaalsContact CD2-NE2 3.27Å; H352-H356 AromaticContact CE1-NE2 3.94Å; H352-H356 AromaticContact NE2-CD2 3.6Å; H352-H356 AromaticContact NE2-CE1 3.77Å; H352-H356 AromaticContact NE2-NE2 2.9Å; H352-H356 PolarHBondContact NE2-NE2 3.01Å; H352-H356 PolarHBondContact O-N 3.25Å; H352-E375 IonicContact CE1-OE2 2.89Å; H352-E375 IonicContact NE2-OE2 2.72Å; H352-E375 PolarHBondContact NE2-OE2 3.47Å; H352-E375 VanDerWaalsContact NE2-OE2 3.12Å; H352-T379 PolarHBondContact CE1-OG1 3.39Å; H352-Q382 HydrophobicContact CB-CB 4.42Å; H352-Q382 HydrophobicContact CB-CG 3.97Å; H352-Y441 AromaticContact CE1-CD1 3.98Å; H352-Y441 AromaticContact NE2-CE1 3.81Å
353	E	98.6	Very high	97.4	Very high	13 Å²	13	9.7 Å²	9.7	6%	0.061	5%	0.051	C	C	.	.	H	α-helix	trans	-66	-31.3	177.2	-56	-47.5	137.7	0	0	113.1	Y313 A326 E328 T333 D349 V350 I351 H356	Y313-E353 VanDerWaalsContact OH-C 3.32Å; Y313-E353 VanDerWaalsContact OH-CB 3.28Å; Y313-E353 WeakPolarHBondContact OH-CB 3.44Å; A326-E353 HydrophobicContact CB-CG 3.65Å; A326-E353 VanDerWaalsContact CB-OE1 3.26Å; A326-E353 WeakPolarHBondContact CB-OE1 3.34Å; E328-E353 WeakPolarHBondContact CA-OE2 3.24Å; E328-E353 WeakPolarHBondContact CB-OE2 3.29Å; E328-E353 PolarHBondContact N-OE2 3.47Å; T333-E353 HydrophobicContact CG2-CB 3.48Å; T333-E353 VanDerWaalsContact CG2-CB 3.48Å; T333-E353 HydrophobicContact CG2-CG 3.52Å; D349-E353 WeakPolarHBondContact O-CG 3.33Å; D349-E353 PolarHBondContact O-N 3.41Å; V350-E353 PolarHBondContact O-N 3.22Å; I351-E353 VanDerWaalsContact C-N 3.34Å; E353-H356 IonicContact OE2-CD2 2.91Å
354	V	98.7	Very high	97.6	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-63.6	-46.4	170.2	168.1	0	0	0	0	110	L298 A301 Y313 V350 I351 H352 H356 S357 W358 I385	L298-V354 HydrophobicContact CD2-CG1 4.03Å; L298-V354 HydrophobicContact CD2-CG2 4.49Å; A301-V354 HydrophobicContact CB-CG1 3.96Å; Y313-V354 HydrophobicContact CD2-CG2 4.49Å; Y313-V354 HydrophobicContact CE1-CG2 3.91Å; Y313-V354 HydrophobicContact CE2-CB 4.41Å; Y313-V354 HydrophobicContact CE2-CG2 3.82Å; Y313-V354 VanDerWaalsContact CZ-CG2 3.48Å; Y313-V354 PolarHBondContact OH-N 3.09Å; V350-V354 WeakPolarHBondContact O-CG2 3.4Å; V350-V354 PolarHBondContact O-N 3.13Å; I351-V354 WeakPolarHBondContact O-CB 3.44Å; I351-V354 PolarHBondContact O-N 3.46Å; H352-V354 VanDerWaalsContact C-N 3.3Å; H352-V354 PolarHBondContact O-N 2.79Å; V354-H356 VanDerWaalsContact C-N 3.26Å; V354-H356 PolarHBondContact O-N 2.89Å; V354-S357 WeakPolarHBondContact O-CB 3.17Å; V354-S357 PolarHBondContact O-N 3.43Å; V354-S357 VanDerWaalsContact O-N 3.08Å; V354-S357 PolarHBondContact O-OG 3.25Å; V354-W358 HydrophobicContact CG1-CZ3 4.23Å; V354-W358 WeakPolarHBondContact O-CZ3 3.04Å; V354-I385 HydrophobicContact CG1-CD1 4.39Å
355	A	98.8	Very high	97.7	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-60.1	-36.4	179.8	0	0	0	0	0	112.5	I351 H352 S357 W358 F359 A378 A381 Q382 I385	I351-A355 PolarHBondContact O-N 3.16Å; H352-A355 WeakPolarHBondContact O-CB 3.49Å; H352-A355 PolarHBondContact O-N 2.97Å; A355-S357 PolarHBondContact O-N 3.47Å; A355-S357 VanDerWaalsContact O-N 3.09Å; A355-W358 PolarHBondContact O-N 3.32Å; A355-F359 PolarHBondContact O-N 3.22Å; A355-F359 VanDerWaalsContact O-N 3.14Å; A355-A378 HydrophobicContact CB-CB 4.34Å; A355-A378 WeakPolarHBondContact CB-O 3.41Å; A355-A381 HydrophobicContact CB-CB 3.76Å; A355-Q382 HydrophobicContact CB-CB 4.43Å; A355-I385 HydrophobicContact CB-CD1 4.27Å
356	H	98.8	Very high	97.7	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.005	3%	0.027	C	C	.	.	H	α-helix	trans	-59.1	-21.9	176.1	-84.8	-54.6	0	0	0	114.9	E328 H352 E353 V354 W358 F359 N361 E375 A378	E328-H356 HydrophobicContact CB-CB 3.29Å; E328-H356 HydrophobicContact CG-CB 3.65Å; H352-H356 AromaticContact CD2-CD2 3.47Å; H352-H356 PolarHBondContact CD2-CD2 3.15Å; H352-H356 VanDerWaalsContact CD2-CD2 3.47Å; H352-H356 AromaticContact CD2-NE2 3.27Å; H352-H356 PolarHBondContact CD2-NE2 2.93Å; H352-H356 VanDerWaalsContact CD2-NE2 3.27Å; H352-H356 AromaticContact CE1-NE2 3.94Å; H352-H356 AromaticContact NE2-CD2 3.6Å; H352-H356 AromaticContact NE2-CE1 3.77Å; H352-H356 AromaticContact NE2-NE2 2.9Å; H352-H356 PolarHBondContact NE2-NE2 3.01Å; H352-H356 PolarHBondContact O-N 3.25Å; E353-H356 IonicContact OE2-CD2 2.91Å; V354-H356 VanDerWaalsContact C-N 3.26Å; V354-H356 PolarHBondContact O-N 2.89Å; H356-W358 PolarHBondContact O-N 3.48Å; H356-W358 VanDerWaalsContact O-N 3.1Å; H356-F359 VanDerWaalsContact CA-O 3.28Å; H356-F359 WeakPolarHBondContact CA-O 3.38Å; H356-F359 PolarHBondContact ND1-O 3.12Å; H356-F359 CarbonylContact O-C 3.44Å; H356-F359 PolarHBondContact O-N 2.85Å; H356-N361 VanDerWaalsContact O-CB 3.22Å; H356-N361 WeakPolarHBondContact O-CB 3.39Å; H356-N361 VanDerWaalsContact O-CG 3.27Å; H356-N361 PolarHBondContact O-N 3.02Å; H356-E375 IonicContact CE1-OE1 3.88Å; H356-E375 IonicContact CE1-OE2 3.85Å; H356-E375 PolarHBondContact CE1-OE2 2.96Å; H356-E375 VanDerWaalsContact CE1-OE2 3.29Å; H356-E375 IonicContact NE2-OE2 2.87Å; H356-E375 PolarHBondContact NE2-OE2 3.08Å; H356-A378 VanDerWaalsContact CE1-CB 3.49Å; H356-A378 WeakPolarHBondContact CE1-CB 3.33Å; H356-A378 WeakPolarHBondContact ND1-CB 3.31Å
357	S	98.8	Very high	97.7	Very high	3 Å²	3	4.9 Å²	4.9	2%	0.021	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.4	174	-60.3	0	0	0	0	113	Y308 W310 V354 A355	Y308-S357 WeakPolarHBondContact CE2-OG 3.3Å; W310-S357 PolarHBondContact NE1-O 2.93Å; V354-S357 WeakPolarHBondContact O-CB 3.17Å; V354-S357 PolarHBondContact O-N 3.43Å; V354-S357 VanDerWaalsContact O-N 3.08Å; V354-S357 PolarHBondContact O-OG 3.25Å; A355-S357 PolarHBondContact O-N 3.47Å; A355-S357 VanDerWaalsContact O-N 3.09Å
358	W	98.8	Very high	97.6	Very high	3 Å²	3	4 Å²	4	1%	0.011	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-46.7	171.3	-68.6	-106.3	0	0	0	111.7	A301 E302 Y305 G306 Y308 V354 A355 H356 A362 V363 V469	A301-W358 HydrophobicContact CB-CE3 4.4Å; A301-W358 HydrophobicContact CB-CH2 3.65Å; A301-W358 HydrophobicContact CB-CZ2 4.47Å; A301-W358 HydrophobicContact CB-CZ3 3.61Å; E302-W358 HydrophobicContact CG-CH2 4.24Å; E302-W358 HydrophobicContact CG-CZ2 4.04Å; Y305-W358 VanDerWaalsContact CB-CD1 3.43Å; Y305-W358 PolarHBondContact O-NE1 2.69Å; G306-W358 WeakPolarHBondContact O-CZ2 3.36Å; G306-W358 PolarHBondContact O-NE1 3Å; G306-W358 VanDerWaalsContact O-NE1 3.16Å; Y308-W358 AromaticContact CD2-CH2 3.73Å; Y308-W358 HydrophobicContact CD2-CH2 3.73Å; Y308-W358 HydrophobicContact CD2-CZ2 4.34Å; Y308-W358 HydrophobicContact CD2-CZ3 4.12Å; Y308-W358 HydrophobicContact CG-CH2 4.45Å; V354-W358 HydrophobicContact CG1-CZ3 4.23Å; V354-W358 WeakPolarHBondContact O-CZ3 3.04Å; A355-W358 PolarHBondContact O-N 3.32Å; H356-W358 PolarHBondContact O-N 3.48Å; H356-W358 VanDerWaalsContact O-N 3.1Å; W358-A362 WeakPolarHBondContact O-CB 3.31Å; W358-V363 PolarHBondContact O-N 2.82Å; W358-V469 HydrophobicContact CB-CG2 4.14Å
359	F	98.5	Very high	97.5	Very high	1 Å²	1	5.5 Å²	5.5	0%	0.004	3%	0.029	C	C	.	.	B	Isolated β-bridge	trans	-109.1	100.6	-173.2	-52.3	-74.6	0	0	0	111.7	Y305 A355 H356 L377 A378 A381 L465 Y468 V469	Y305-F359 AromaticContact CD1-CE2 3.86Å; Y305-F359 HydrophobicContact CD1-CE2 3.86Å; Y305-F359 AromaticContact CD1-CZ 3.79Å; Y305-F359 HydrophobicContact CD1-CZ 3.79Å; Y305-F359 HydrophobicContact CD2-CE2 4.1Å; Y305-F359 HydrophobicContact CE1-CE2 4.02Å; Y305-F359 HydrophobicContact CE1-CZ 4.09Å; Y305-F359 HydrophobicContact CE2-CE2 4.24Å; Y305-F359 AromaticContact CG-CE2 3.93Å; Y305-F359 HydrophobicContact CG-CE2 3.93Å; Y305-F359 HydrophobicContact CG-CZ 4.19Å; A355-F359 PolarHBondContact O-N 3.22Å; A355-F359 VanDerWaalsContact O-N 3.14Å; H356-F359 VanDerWaalsContact CA-O 3.28Å; H356-F359 WeakPolarHBondContact CA-O 3.38Å; H356-F359 PolarHBondContact ND1-O 3.12Å; H356-F359 CarbonylContact O-C 3.44Å; H356-F359 PolarHBondContact O-N 2.85Å; F359-L377 HydrophobicContact CB-CB 3.82Å; F359-L377 HydrophobicContact CD1-CB 3.76Å; F359-L377 HydrophobicContact CD1-CD1 3.97Å; F359-L377 HydrophobicContact CD1-CD2 4.48Å; F359-L377 HydrophobicContact CD1-CG 4.28Å; F359-L377 HydrophobicContact CE1-CB 4.48Å; F359-L377 HydrophobicContact CG-CB 3.78Å; F359-A378 HydrophobicContact CB-CB 4.45Å; F359-A381 HydrophobicContact CD2-CB 3.7Å; F359-A381 HydrophobicContact CE2-CB 3.57Å; F359-L465 HydrophobicContact CE1-CD2 4.23Å; F359-L465 HydrophobicContact CZ-CB 4.23Å; F359-L465 HydrophobicContact CZ-CD1 4.29Å; F359-L465 HydrophobicContact CZ-CD2 4.33Å; F359-Y468 HydrophobicContact CE1-CD1 4.37Å; F359-V469 HydrophobicContact CD1-CG2 4.4Å; F359-V469 HydrophobicContact CE1-CG2 3.72Å; F359-V469 HydrophobicContact CZ-CG2 3.99Å
360	G	97.4	Very high	97.4	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	123.3	-64.7	-168.1	0	0	0	0	0	109.9	V363 T364	G360-V363 CarbonylContact C-O 3.59Å; G360-V363 WeakPolarHBondContact CA-O 3.17Å; G360-V363 PolarHBondContact N-O 3.35Å; G360-T364 WeakPolarHBondContact O-CA 3.5Å; G360-T364 VanDerWaalsContact O-CB 3.31Å; G360-T364 WeakPolarHBondContact O-CB 3.33Å; G360-T364 WeakPolarHBondContact O-CG2 3.21Å; G360-T364 PolarHBondContact O-OG1 3.29Å
361	N	98.3	Very high	97.2	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.005	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-56.5	-177.1	-63.1	-12.8	0	0	0	112.1	K214 L257 W310 E328 P330 H356	K214-N361 PolarHBondContact NZ-O 3.28Å; L257-N361 HydrophobicContact CD1-CB 4.22Å; L257-N361 WeakPolarHBondContact CD1-OD1 3.3Å; W310-N361 HydrophobicContact CH2-CB 3.95Å; W310-N361 HydrophobicContact CZ2-CB 3.47Å; W310-N361 VanDerWaalsContact CZ2-CB 3.47Å; E328-N361 VanDerWaalsContact CG-OD1 3.22Å; E328-N361 WeakPolarHBondContact CG-OD1 3.38Å; E328-N361 PolarHBondContact O-ND2 3.49Å; P330-N361 HydrophobicContact CG-CB 4.28Å; H356-N361 VanDerWaalsContact O-CB 3.22Å; H356-N361 WeakPolarHBondContact O-CB 3.39Å; H356-N361 VanDerWaalsContact O-CG 3.27Å; H356-N361 PolarHBondContact O-N 3.02Å
362	A	98.1	Very high	97.1	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-53.3	-177.5	0	0	0	0	0	111	K214 M309 W310 W358 K473 F474	K214-A362 PolarHBondContact NZ-O 3.18Å; M309-A362 HydrophobicContact CE-CB 3.38Å; W310-A362 HydrophobicContact CZ2-CB 4.15Å; W358-A362 WeakPolarHBondContact O-CB 3.31Å; A362-K473 HydrophobicContact CB-CB 4.42Å; A362-F474 WeakPolarHBondContact O-CA 3.44Å; A362-F474 PolarHBondContact O-N 3.34Å
363	V	98.6	Very high	97	Very high	5 Å²	5	5 Å²	5	3%	0.03	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.2	172.7	-173.2	0	0	0	0	108.4	W358 G360 Y468 V469 V477	W358-V363 PolarHBondContact O-N 2.82Å; G360-V363 CarbonylContact C-O 3.59Å; G360-V363 WeakPolarHBondContact CA-O 3.17Å; G360-V363 PolarHBondContact N-O 3.35Å; V363-Y468 HydrophobicContact CB-CE1 4.38Å; V363-Y468 HydrophobicContact CG1-CE1 3.77Å; V363-Y468 HydrophobicContact CG2-CE1 4.43Å; V363-V469 HydrophobicContact CG2-CB 4.46Å; V363-V469 HydrophobicContact CG2-CG1 4.34Å; V363-V469 HydrophobicContact CG2-CG2 4.36Å; V363-V477 HydrophobicContact CG1-CG1 4.01Å; V363-V477 HydrophobicContact CG1-CG2 3.71Å
364	T	98.3	Very high	96.9	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.006	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	148	-172.4	-51	0	0	0	0	111	P211 K214 P254 Y256 G360 T475 S476 V477	P211-T364 HydrophobicContact CB-CG2 3.86Å; K214-T364 WeakPolarHBondContact CE-OG1 3.46Å; K214-T364 PolarHBondContact NZ-OG1 3.33Å; P254-T364 HydrophobicContact CG-CG2 4.22Å; Y256-T364 HydrophobicContact CE1-CG2 4.05Å; G360-T364 WeakPolarHBondContact O-CA 3.5Å; G360-T364 VanDerWaalsContact O-CB 3.31Å; G360-T364 WeakPolarHBondContact O-CB 3.33Å; G360-T364 WeakPolarHBondContact O-CG2 3.21Å; G360-T364 PolarHBondContact O-OG1 3.29Å; T364-T475 PolarHBondContact N-O 2.87Å; T364-S476 CarbonylContact O-C 3.57Å; T364-S476 WeakPolarHBondContact O-CA 3.23Å; T364-V477 VanDerWaalsContact O-CG2 3.3Å; T364-V477 WeakPolarHBondContact O-CG2 3.38Å; T364-V477 PolarHBondContact O-N 3.45Å
365	N	97.1	Very high	96.8	Very high	2 Å²	2	4.9 Å²	4.9	1%	0.011	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	136.9	165.2	60.2	-60	0	0	0	111.4	P211 T367 E370 L373 S374 V477	P211-N365 VanDerWaalsContact CB-O 3.24Å; P211-N365 WeakPolarHBondContact CB-O 3.35Å; P211-N365 WeakPolarHBondContact CG-O 3.48Å; N365-T367 PolarHBondContact ND2-O 3.5Å; N365-E370 HydrophobicContact CB-CB 3.96Å; N365-E370 VanDerWaalsContact CB-O 3.25Å; N365-E370 WeakPolarHBondContact CB-O 3.44Å; N365-L373 HydrophobicContact CB-CB 4.46Å; N365-S374 PolarHBondContact OD1-OG 2.77Å; N365-V477 CarbonylContact C-O 3.5Å
366	A	95.7	Very high	96.8	Very high	10 Å²	10	4.9 Å²	4.9	8%	0.083	3%	0.026	C	C	.	.	S	Bend	trans	-76.2	-28.5	-179.2	0	0	0	0	0	113.1	A212 V477 V478	A212-A366 WeakPolarHBondContact CB-O 3.18Å; A212-A366 PolarHBondContact N-O 3.46Å; A366-V477 WeakPolarHBondContact CB-O 3.45Å; A366-V477 PolarHBondContact N-O 3.38Å; A366-V478 HydrophobicContact CB-CG1 3.98Å
367	T	94.4	Very high	96.8	Very high	5 Å²	5	5 Å²	5	3%	0.031	3%	0.026	C	C	.	.	S	Bend	trans	-137.5	164.6	175.9	70.2	0	0	0	0	109.6	A27 D29 N365 E369 E370	A27-T367 HydrophobicContact CB-CG2 3.7Å; D29-T367 HydrophobicContact CB-CG2 4.25Å; N365-T367 PolarHBondContact ND2-O 3.5Å; T367-E369 PolarHBondContact O-N 3.31Å; T367-E369 PolarHBondContact OG1-N 2.99Å; T367-E370 PolarHBondContact O-N 2.87Å; T367-E370 VanDerWaalsContact O-N 3.09Å
368	W	94.3	Very high	96.8	Very high	3 Å²	3	4.8 Å²	4.8	1%	0.011	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-70.1	-17.5	177.1	-58.6	108.3	0	0	0	114.2	H197 S198 V199 P211 Y256 E370 M371 L426 P432	H197-W368 AromaticContact CD2-CH2 3.67Å; H197-W368 AromaticContact CD2-CZ3 3.51Å; H197-W368 AromaticContact NE2-CH2 3.85Å; H197-W368 AromaticContact NE2-CZ3 3.2Å; H197-W368 WeakPolarHBondContact NE2-CZ3 3.28Å; S198-W368 VanDerWaalsContact C-CZ2 3.46Å; S198-W368 WeakPolarHBondContact O-CH2 3.27Å; S198-W368 WeakPolarHBondContact O-CZ2 3.32Å; V199-W368 HydrophobicContact CG1-CZ2 3.98Å; P211-W368 HydrophobicContact CB-CZ2 4.49Å; P211-W368 HydrophobicContact CG-CD2 4.33Å; P211-W368 HydrophobicContact CG-CH2 4.44Å; P211-W368 HydrophobicContact CG-CZ2 4.14Å; Y256-W368 AromaticContact CD1-CH2 3.69Å; Y256-W368 HydrophobicContact CD1-CH2 3.69Å; Y256-W368 HydrophobicContact CD1-CZ2 4.31Å; Y256-W368 HydrophobicContact CE1-CH2 4.11Å; Y256-W368 HydrophobicContact CG-CH2 4.01Å; W368-E370 PolarHBondContact O-N 3.21Å; W368-M371 HydrophobicContact CB-CE 4.41Å; W368-M371 HydrophobicContact CD2-CE 4.21Å; W368-M371 HydrophobicContact CE3-CE 3.35Å; W368-M371 HydrophobicContact CZ3-CE 3.98Å; W368-M371 VanDerWaalsContact O-CB 3.27Å; W368-M371 WeakPolarHBondContact O-CB 3.26Å; W368-M371 PolarHBondContact O-N 2.88Å; W368-L426 HydrophobicContact CB-CD1 3.91Å; W368-P432 HydrophobicContact CB-CB 3.74Å; W368-P432 HydrophobicContact CB-CG 4.14Å; W368-P432 HydrophobicContact CD2-CB 4.15Å; W368-P432 HydrophobicContact CG-CB 3.61Å; W368-P432 HydrophobicContact CG-CG 3.82Å
369	E	92.8	Very high	96.7	Very high	34 Å²	34	4.8 Å²	4.8	16%	0.159	3%	0.026	C	C	.	.	G	3₁₀ helix	trans	-64.6	-23.8	170	-51.8	-170.6	149.5	0	0	111.9	T367 Q423 V424 K425 L426	T367-E369 PolarHBondContact O-N 3.31Å; T367-E369 PolarHBondContact OG1-N 2.99Å; E369-Q423 HydrophobicContact CB-CG 4.37Å; E369-Q423 WeakPolarHBondContact O-CA 3.49Å; E369-Q423 WeakPolarHBondContact O-CG 3.27Å; E369-V424 WeakPolarHBondContact CB-O 3.37Å; E369-V424 WeakPolarHBondContact CG-O 3.27Å; E369-K425 WeakPolarHBondContact OE1-CA 3.15Å; E369-K425 WeakPolarHBondContact OE2-CD 3.23Å; E369-K425 IonicContact OE2-NZ 3.85Å; E369-K425 PolarHBondContact OE2-NZ 2.94Å; E369-L426 HydrophobicContact CG-CB 4.23Å; E369-L426 HydrophobicContact CG-CD1 4.28Å; E369-L426 HydrophobicContact CG-CG 4.16Å; E369-L426 PolarHBondContact OE1-N 3.1Å
370	E	94.3	Very high	96.8	Very high	12 Å²	12	5 Å²	5	6%	0.056	3%	0.026	C	C	.	.	G	3₁₀ helix	trans	-101.2	12.9	-176.4	-59.7	-75.1	-151.5	0	0	112.5	N365 T367 W368 W372 L373 Q423 V478 A479	N365-E370 HydrophobicContact CB-CB 3.96Å; N365-E370 VanDerWaalsContact CB-O 3.25Å; N365-E370 WeakPolarHBondContact CB-O 3.44Å; T367-E370 PolarHBondContact O-N 2.87Å; T367-E370 VanDerWaalsContact O-N 3.09Å; W368-E370 PolarHBondContact O-N 3.21Å; E370-W372 PolarHBondContact O-N 3.48Å; E370-W372 VanDerWaalsContact O-N 3.08Å; E370-W372 PolarHBondContact OE2-NE1 2.86Å; E370-L373 HydrophobicContact CB-CD1 3.99Å; E370-L373 VanDerWaalsContact O-CB 3.28Å; E370-L373 WeakPolarHBondContact O-CB 3.26Å; E370-L373 PolarHBondContact O-N 2.96Å; E370-Q423 PolarHBondContact OE1-NE2 3.17Å; E370-Q423 PolarHBondContact OE2-NE2 3.03Å; E370-V478 HydrophobicContact CG-CB 4.47Å; E370-V478 HydrophobicContact CG-CG1 4.38Å; E370-V478 WeakPolarHBondContact OE1-CB 3.5Å; E370-A479 PolarHBondContact OE1-N 3.47Å; E370-A479 WeakPolarHBondContact OE2-CB 3.03Å
371	M	94.4	Very high	96.8	Very high	5 Å²	5	5 Å²	5	3%	0.025	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27	-174.9	-177.4	-172.7	-81.9	0	0	113.5	W368 L373 S374 E375 M436 T440	W368-M371 HydrophobicContact CB-CE 4.41Å; W368-M371 HydrophobicContact CD2-CE 4.21Å; W368-M371 HydrophobicContact CE3-CE 3.35Å; W368-M371 HydrophobicContact CZ3-CE 3.98Å; W368-M371 VanDerWaalsContact O-CB 3.27Å; W368-M371 WeakPolarHBondContact O-CB 3.26Å; W368-M371 PolarHBondContact O-N 2.88Å; M371-L373 PolarHBondContact O-N 2.84Å; M371-S374 PolarHBondContact O-N 2.88Å; M371-E375 HydrophobicContact CG-CG 4.32Å; M371-E375 PolarHBondContact O-N 3.13Å; M371-M436 HydrophobicContact CE-CG 4.28Å; M371-M436 HydrophobicContact CE-SD 3.82Å; M371-M436 HydrophobicContact CG-SD 4.3Å; M371-M436 HydrophobicContact SD-CG 4.05Å; M371-M436 HydrophobicContact SD-SD 3.1Å; M371-T440 HydrophobicContact CB-CG2 4.06Å; M371-T440 HydrophobicContact CG-CG2 3.77Å; M371-T440 HydrophobicContact SD-CG2 3.98Å
372	W	95.9	Very high	96.8	Very high	1 Å²	1	5.2 Å²	5.2	0%	0.004	3%	0.028	C	C	.	.	H	α-helix	trans	-59.1	-24.7	173.2	79.1	-89.5	0	0	0	113	E370 S374 G376 L422 T440 F447 V448 A479 L482 L510	E370-W372 PolarHBondContact O-N 3.48Å; E370-W372 VanDerWaalsContact O-N 3.08Å; E370-W372 PolarHBondContact OE2-NE1 2.86Å; W372-S374 PolarHBondContact O-N 2.76Å; W372-G376 VanDerWaalsContact O-CA 3.22Å; W372-G376 WeakPolarHBondContact O-CA 3.44Å; W372-G376 PolarHBondContact O-N 3.33Å; W372-L422 HydrophobicContact CB-CB 4.43Å; W372-L422 HydrophobicContact CB-CD2 4.37Å; W372-L422 HydrophobicContact CG-CB 4.16Å; W372-T440 HydrophobicContact CB-CG2 4.31Å; W372-F447 HydrophobicContact CE3-CD1 4.38Å; W372-F447 AromaticContact CH2-CD1 3.65Å; W372-F447 HydrophobicContact CH2-CD1 3.65Å; W372-F447 AromaticContact CH2-CE1 3.59Å; W372-F447 HydrophobicContact CH2-CE1 3.59Å; W372-F447 HydrophobicContact CZ2-CD1 4.43Å; W372-F447 HydrophobicContact CZ2-CE1 4.23Å; W372-F447 AromaticContact CZ3-CD1 3.63Å; W372-F447 HydrophobicContact CZ3-CD1 3.63Å; W372-F447 HydrophobicContact CZ3-CE1 4.08Å; W372-V448 HydrophobicContact CZ3-CG2 4.3Å; W372-A479 HydrophobicContact CZ2-CB 3.75Å; W372-L482 HydrophobicContact CH2-CD2 3.85Å; W372-L482 HydrophobicContact CZ3-CD2 4.34Å; W372-L510 HydrophobicContact CH2-CD2 4.23Å; W372-L510 HydrophobicContact CZ2-CD2 3.48Å; W372-L510 VanDerWaalsContact CZ2-CD2 3.48Å
373	L	97.4	Very high	96.8	Very high	4 Å²	4	5.4 Å²	5.4	2%	0.021	3%	0.028	C	C	.	.	H	α-helix	trans	-66.2	-28.6	173.7	-70.4	173	0	0	0	112.2	N365 E370 M371 L377 V477 L482	N365-L373 HydrophobicContact CB-CB 4.46Å; E370-L373 HydrophobicContact CB-CD1 3.99Å; E370-L373 VanDerWaalsContact O-CB 3.28Å; E370-L373 WeakPolarHBondContact O-CB 3.26Å; E370-L373 PolarHBondContact O-N 2.96Å; M371-L373 PolarHBondContact O-N 2.84Å; L373-L377 HydrophobicContact CD2-CD1 4.44Å; L373-L377 VanDerWaalsContact O-CB 3.29Å; L373-L377 WeakPolarHBondContact O-CB 3.49Å; L373-L377 WeakPolarHBondContact O-CD1 3.48Å; L373-L377 WeakPolarHBondContact O-CG 3.11Å; L373-V477 HydrophobicContact CD1-CG2 3.94Å; L373-L482 HydrophobicContact CD2-CB 4.2Å; L373-L482 HydrophobicContact CD2-CD2 3.78Å
374	S	95.6	Very high	96.8	Very high	4 Å²	4	6.8 Å²	6.8	3%	0.028	3%	0.033	C	C	.	.	H	α-helix	trans	-85.5	-56.8	174.7	-63.2	0	0	0	0	109.5	N365 M371 W372 A378	N365-S374 PolarHBondContact OD1-OG 2.77Å; M371-S374 PolarHBondContact O-N 2.88Å; W372-S374 PolarHBondContact O-N 2.76Å; S374-A378 WeakPolarHBondContact O-CB 3.38Å; S374-A378 PolarHBondContact O-N 3.35Å
375	E	97	Very high	96.9	Very high	7 Å²	7	6.7 Å²	6.7	3%	0.033	3%	0.033	C	C	.	.	H	α-helix	trans	-73.7	-42.9	-173.1	-60.3	-60.7	174.1	0	0	113.9	H352 H356 M371 A378 T379 T440 Y441	H352-E375 IonicContact CE1-OE2 2.89Å; H352-E375 IonicContact NE2-OE2 2.72Å; H352-E375 PolarHBondContact NE2-OE2 3.47Å; H352-E375 VanDerWaalsContact NE2-OE2 3.12Å; H356-E375 IonicContact CE1-OE1 3.88Å; H356-E375 IonicContact CE1-OE2 3.85Å; H356-E375 PolarHBondContact CE1-OE2 2.96Å; H356-E375 VanDerWaalsContact CE1-OE2 3.29Å; H356-E375 IonicContact NE2-OE2 2.87Å; H356-E375 PolarHBondContact NE2-OE2 3.08Å; M371-E375 HydrophobicContact CG-CG 4.32Å; M371-E375 PolarHBondContact O-N 3.13Å; E375-A378 PolarHBondContact O-N 3.09Å; E375-T379 VanDerWaalsContact O-CB 3.27Å; E375-T379 WeakPolarHBondContact O-CB 3.27Å; E375-T379 PolarHBondContact O-N 3.06Å; E375-T379 PolarHBondContact O-OG1 2.85Å; E375-T440 HydrophobicContact CB-CG2 4.06Å; E375-T440 HydrophobicContact CG-CG2 4.09Å; E375-Y441 HydrophobicContact CB-CD1 3.88Å; E375-Y441 HydrophobicContact CB-CD2 4.19Å; E375-Y441 HydrophobicContact CB-CE1 3.97Å; E375-Y441 HydrophobicContact CB-CE2 4.28Å; E375-Y441 HydrophobicContact CB-CG 4Å; E375-Y441 VanDerWaalsContact CD-OH 3.22Å; E375-Y441 HydrophobicContact CG-CD1 4.31Å; E375-Y441 HydrophobicContact CG-CD2 4.36Å; E375-Y441 HydrophobicContact CG-CE1 3.89Å; E375-Y441 HydrophobicContact CG-CE2 3.94Å; E375-Y441 PolarHBondContact OE1-OH 3.25Å; E375-Y441 VanDerWaalsContact OE1-OH 3.13Å; E375-Y441 WeakPolarHBondContact OE2-CE1 3.29Å; E375-Y441 VanDerWaalsContact OE2-CZ 3.32Å; E375-Y441 PolarHBondContact OE2-OH 3.44Å
376	G	97.8	Very high	96.9	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-68.6	-40.4	-179.6	0	0	0	0	0	113	W372 Y380 T440	W372-G376 VanDerWaalsContact O-CA 3.22Å; W372-G376 WeakPolarHBondContact O-CA 3.44Å; W372-G376 PolarHBondContact O-N 3.33Å; G376-Y380 PolarHBondContact O-N 3.05Å; G376-T440 PolarHBondContact N-O 2.86Å
377	L	98.6	Very high	97	Very high	3 Å²	3	8.2 Å²	8.2	2%	0.016	4%	0.041	C	C	.	.	H	α-helix	trans	-69.5	-41.6	173.4	-75.5	167.5	0	0	0	111.4	F359 L373 Y380 A381 V448 L465 Y468 L482	F359-L377 HydrophobicContact CB-CB 3.82Å; F359-L377 HydrophobicContact CD1-CB 3.76Å; F359-L377 HydrophobicContact CD1-CD1 3.97Å; F359-L377 HydrophobicContact CD1-CD2 4.48Å; F359-L377 HydrophobicContact CD1-CG 4.28Å; F359-L377 HydrophobicContact CE1-CB 4.48Å; F359-L377 HydrophobicContact CG-CB 3.78Å; L373-L377 HydrophobicContact CD2-CD1 4.44Å; L373-L377 VanDerWaalsContact O-CB 3.29Å; L373-L377 WeakPolarHBondContact O-CB 3.49Å; L373-L377 WeakPolarHBondContact O-CD1 3.48Å; L373-L377 WeakPolarHBondContact O-CG 3.11Å; L377-Y380 PolarHBondContact O-N 3.18Å; L377-A381 VanDerWaalsContact O-CB 3.32Å; L377-A381 WeakPolarHBondContact O-CB 3.27Å; L377-A381 PolarHBondContact O-N 3.05Å; L377-V448 HydrophobicContact CD2-CG1 3.86Å; L377-V448 HydrophobicContact CD2-CG2 3.78Å; L377-V448 HydrophobicContact CG-CG2 4.18Å; L377-L465 HydrophobicContact CD2-CD2 4.03Å; L377-Y468 HydrophobicContact CD1-CE1 4.17Å; L377-L482 HydrophobicContact CD1-CD2 4.35Å
378	A	98.6	Very high	97.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.6	-44.1	174.8	0	0	0	0	0	111.5	A355 H356 F359 S374 E375 Y380 A381 Q382	A355-A378 HydrophobicContact CB-CB 4.34Å; A355-A378 WeakPolarHBondContact CB-O 3.41Å; H356-A378 VanDerWaalsContact CE1-CB 3.49Å; H356-A378 WeakPolarHBondContact CE1-CB 3.33Å; H356-A378 WeakPolarHBondContact ND1-CB 3.31Å; F359-A378 HydrophobicContact CB-CB 4.45Å; S374-A378 WeakPolarHBondContact O-CB 3.38Å; S374-A378 PolarHBondContact O-N 3.35Å; E375-A378 PolarHBondContact O-N 3.09Å; A378-Y380 PolarHBondContact O-N 3.19Å; A378-A381 CarbonylContact O-C 3.58Å; A378-A381 PolarHBondContact O-N 3.26Å; A378-A381 VanDerWaalsContact O-N 3.16Å; A378-Q382 WeakPolarHBondContact O-CB 3.02Å; A378-Q382 PolarHBondContact O-N 2.98Å
379	T	98.7	Very high	97.4	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.018	7%	0.068	C	C	.	.	H	α-helix	trans	-62.2	-41.1	176.6	-54.2	0	0	0	0	111.6	H352 E375 R383 Y445	H352-T379 PolarHBondContact CE1-OG1 3.39Å; E375-T379 VanDerWaalsContact O-CB 3.27Å; E375-T379 WeakPolarHBondContact O-CB 3.27Å; E375-T379 PolarHBondContact O-N 3.06Å; E375-T379 PolarHBondContact O-OG1 2.85Å; T379-R383 VanDerWaalsContact CG2-NH1 3.34Å; T379-R383 WeakPolarHBondContact O-CG 3.37Å; T379-R383 PolarHBondContact O-N 2.77Å; T379-R383 VanDerWaalsContact O-N 3.11Å; T379-Y445 HydrophobicContact CG2-CD2 4.47Å; T379-Y445 HydrophobicContact CG2-CG 4.29Å
380	Y	98.7	Very high	97.6	Very high	4 Å²	4	16 Å²	16	2%	0.016	8%	0.076	C	C	.	.	H	α-helix	trans	-62.9	-46.1	172.5	178.3	-92.1	0	0	0	112.2	G376 L377 A378 Q382 R383 R384 Y445 V448 Y449 S452 F461 L465	G376-Y380 PolarHBondContact O-N 3.05Å; L377-Y380 PolarHBondContact O-N 3.18Å; A378-Y380 PolarHBondContact O-N 3.19Å; Y380-Q382 VanDerWaalsContact C-N 3.33Å; Y380-Q382 PolarHBondContact O-N 3.06Å; Y380-R383 PolarHBondContact O-N 2.6Å; Y380-R384 HydrophobicContact CD1-CG 4.17Å; Y380-R384 HydrophobicContact CE1-CG 3.64Å; Y380-R384 HydrophobicContact CE2-CG 4.48Å; Y380-R384 WeakPolarHBondContact O-CG 3.18Å; Y380-R384 PolarHBondContact O-N 3.12Å; Y380-R384 PolarHBondContact OH-NH1 3.45Å; Y380-Y445 HydrophobicContact CD2-CD2 4.01Å; Y380-Y445 AromaticContact CD2-CE2 3.88Å; Y380-Y445 HydrophobicContact CD2-CE2 3.88Å; Y380-Y445 HydrophobicContact CG-CD2 4.44Å; Y380-V448 HydrophobicContact CD1-CG1 3.7Å; Y380-V448 HydrophobicContact CD2-CB 4.24Å; Y380-V448 HydrophobicContact CD2-CG1 3.77Å; Y380-V448 HydrophobicContact CE1-CG1 4.32Å; Y380-V448 HydrophobicContact CE2-CG1 4.39Å; Y380-V448 HydrophobicContact CG-CB 4.11Å; Y380-V448 HydrophobicContact CG-CG1 3.39Å; Y380-Y449 HydrophobicContact CE2-CD2 4.34Å; Y380-S452 WeakPolarHBondContact OH-CB 3.44Å; Y380-S452 PolarHBondContact OH-OG 2.83Å; Y380-F461 HydrophobicContact CD1-CE1 4.21Å; Y380-F461 AromaticContact CE1-CD1 3.76Å; Y380-F461 HydrophobicContact CE1-CD1 3.76Å; Y380-F461 AromaticContact CE1-CE1 3.56Å; Y380-F461 HydrophobicContact CE1-CE1 3.56Å; Y380-F461 HydrophobicContact CE2-CE1 4.42Å; Y380-F461 AromaticContact CZ-CD1 3.72Å; Y380-F461 AromaticContact CZ-CE1 3.69Å; Y380-F461 WeakPolarHBondContact OH-CD1 3.1Å; Y380-L465 HydrophobicContact CD1-CD1 3.97Å; Y380-L465 HydrophobicContact CE1-CD1 3.74Å
381	A	98.7	Very high	97.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.3	-38.8	179.9	0	0	0	0	0	112.5	Y305 A355 F359 L377 A378 R384 I385	Y305-A381 HydrophobicContact CD2-CB 4.46Å; Y305-A381 HydrophobicContact CE1-CB 4.43Å; Y305-A381 HydrophobicContact CE2-CB 3.56Å; Y305-A381 WeakPolarHBondContact OH-CA 3.44Å; Y305-A381 WeakPolarHBondContact OH-CB 3.48Å; A355-A381 HydrophobicContact CB-CB 3.76Å; F359-A381 HydrophobicContact CD2-CB 3.7Å; F359-A381 HydrophobicContact CE2-CB 3.57Å; L377-A381 VanDerWaalsContact O-CB 3.32Å; L377-A381 WeakPolarHBondContact O-CB 3.27Å; L377-A381 PolarHBondContact O-N 3.05Å; A378-A381 CarbonylContact O-C 3.58Å; A378-A381 PolarHBondContact O-N 3.26Å; A378-A381 VanDerWaalsContact O-N 3.16Å; A381-R384 PolarHBondContact O-N 2.97Å; A381-I385 WeakPolarHBondContact O-CD1 3.11Å; A381-I385 VanDerWaalsContact O-CG1 3.29Å; A381-I385 WeakPolarHBondContact O-CG1 3.22Å; A381-I385 PolarHBondContact O-N 2.61Å
382	Q	98.7	Very high	97.9	Very high	7 Å²	7	17.7 Å²	17.7	3%	0.033	10%	0.096	C	C	.	.	H	α-helix	trans	-55.9	-52.1	172.9	175.7	-96.8	-42	0	0	110.6	I351 H352 A355 A378 Y380 R384 I385 T386 E398	I351-Q382 HydrophobicContact CB-CG 4.2Å; I351-Q382 HydrophobicContact CG2-CB 4.25Å; I351-Q382 HydrophobicContact CG2-CG 3.86Å; H352-Q382 HydrophobicContact CB-CB 4.42Å; H352-Q382 HydrophobicContact CB-CG 3.97Å; A355-Q382 HydrophobicContact CB-CB 4.43Å; A378-Q382 WeakPolarHBondContact O-CB 3.02Å; A378-Q382 PolarHBondContact O-N 2.98Å; Y380-Q382 VanDerWaalsContact C-N 3.33Å; Y380-Q382 PolarHBondContact O-N 3.06Å; Q382-R384 VanDerWaalsContact C-N 3.31Å; Q382-R384 PolarHBondContact O-N 3.04Å; Q382-I385 PolarHBondContact O-N 2.87Å; Q382-I385 VanDerWaalsContact O-N 3.15Å; Q382-T386 PolarHBondContact NE2-OG1 3.42Å; Q382-T386 WeakPolarHBondContact O-CB 3.46Å; Q382-T386 PolarHBondContact O-N 2.97Å; Q382-T386 PolarHBondContact O-OG1 3.46Å; Q382-E398 VanDerWaalsContact NE2-CD 3.32Å; Q382-E398 PolarHBondContact NE2-OE1 3.11Å; Q382-E398 PolarHBondContact NE2-OE2 2.78Å
383	R	98.4	Very high	98	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.015	11%	0.108	C	C	.	.	H	α-helix	trans	-63	-32.8	177.4	-73.7	171.1	172.5	139	13.9	113.9	T379 Y380 T387 T395 T399 E442 Y445	T379-R383 VanDerWaalsContact CG2-NH1 3.34Å; T379-R383 WeakPolarHBondContact O-CG 3.37Å; T379-R383 PolarHBondContact O-N 2.77Å; T379-R383 VanDerWaalsContact O-N 3.11Å; Y380-R383 PolarHBondContact O-N 2.6Å; R383-T387 WeakPolarHBondContact O-CB 3.05Å; R383-T387 PolarHBondContact O-N 3.31Å; R383-T387 PolarHBondContact O-OG1 3.42Å; R383-T395 HydrophobicContact CB-CG2 3.79Å; R383-T395 HydrophobicContact CG-CG2 4.03Å; R383-T395 WeakPolarHBondContact O-CG2 3.25Å; R383-T399 WeakPolarHBondContact CD-OG1 3.4Å; R383-T399 PolarHBondContact NE-OG1 3.18Å; R383-T399 VanDerWaalsContact NE-OG1 3.13Å; R383-E442 IonicContact CZ-OE1 3.69Å; R383-E442 IonicContact CZ-OE2 3.69Å; R383-E442 IonicContact NH1-OE1 3.28Å; R383-E442 IonicContact NH1-OE2 3.84Å; R383-E442 PolarHBondContact NH1-OE2 3.03Å; R383-E442 IonicContact NH2-OE1 3.36Å; R383-E442 PolarHBondContact NH2-OE1 3.28Å; R383-E442 IonicContact NH2-OE2 3.88Å; R383-E442 PolarHBondContact NH2-OE2 3.5Å; R383-Y445 HydrophobicContact CB-CE2 4.21Å; R383-Y445 HydrophobicContact CG-CE2 4.29Å
384	R	98.3	Very high	98.1	Very high	33 Å²	33	19.4 Å²	19.4	13%	0.125	11%	0.109	C	C	.	.	H	α-helix	trans	-68.1	-45.4	172.6	-69.9	-55.7	-56.9	-90.3	-7.9	111.5	L304 Y305 Y380 A381 Q382 T387 E388 P458 D462	L304-R384 HydrophobicContact CD1-CB 3.95Å; Y305-R384 WeakPolarHBondContact OH-CB 3.15Å; Y380-R384 HydrophobicContact CD1-CG 4.17Å; Y380-R384 HydrophobicContact CE1-CG 3.64Å; Y380-R384 HydrophobicContact CE2-CG 4.48Å; Y380-R384 WeakPolarHBondContact O-CG 3.18Å; Y380-R384 PolarHBondContact O-N 3.12Å; Y380-R384 PolarHBondContact OH-NH1 3.45Å; A381-R384 PolarHBondContact O-N 2.97Å; Q382-R384 VanDerWaalsContact C-N 3.31Å; Q382-R384 PolarHBondContact O-N 3.04Å; R384-T387 WeakPolarHBondContact O-CB 3.22Å; R384-T387 PolarHBondContact O-N 2.97Å; R384-E388 WeakPolarHBondContact O-CG 3.47Å; R384-E388 PolarHBondContact O-N 3.1Å; R384-P458 PolarHBondContact NH1-O 2.96Å; R384-D462 IonicContact CZ-OD1 2.77Å; R384-D462 VanDerWaalsContact CZ-OD1 3.27Å; R384-D462 IonicContact CZ-OD2 3.62Å; R384-D462 VanDerWaalsContact CZ-OD2 3.3Å; R384-D462 IonicContact NH1-OD1 2.9Å; R384-D462 PolarHBondContact NH1-OD1 3.29Å; R384-D462 IonicContact NH1-OD2 3.95Å; R384-D462 PolarHBondContact NH1-OD2 3.34Å; R384-D462 IonicContact NH2-OD1 3.77Å; R384-D462 PolarHBondContact NH2-OD1 3.38Å; R384-D462 IonicContact NH2-OD2 3.75Å; R384-D462 PolarHBondContact NH2-OD2 3.34Å
385	I	98.7	Very high	98.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-44.8	175.8	-64.6	159.1	0	0	0	110.8	W297 A300 A301 L304 Y305 I351 V354 A355 A381 Q382 T387 E388 T389	W297-I385 HydrophobicContact CB-CG2 4.18Å; A300-I385 HydrophobicContact CB-CG2 4.15Å; A301-I385 HydrophobicContact CB-CD1 3.65Å; A301-I385 HydrophobicContact CB-CG1 4.04Å; L304-I385 HydrophobicContact CD1-CG1 3.98Å; Y305-I385 HydrophobicContact CE2-CD1 4.27Å; Y305-I385 HydrophobicContact CE2-CG1 4.31Å; I351-I385 HydrophobicContact CG1-CG2 4.47Å; I351-I385 HydrophobicContact CG2-CB 3.63Å; I351-I385 HydrophobicContact CG2-CD1 4.12Å; I351-I385 HydrophobicContact CG2-CG2 3.55Å; V354-I385 HydrophobicContact CG1-CD1 4.39Å; A355-I385 HydrophobicContact CB-CD1 4.27Å; A381-I385 WeakPolarHBondContact O-CD1 3.11Å; A381-I385 VanDerWaalsContact O-CG1 3.29Å; A381-I385 WeakPolarHBondContact O-CG1 3.22Å; A381-I385 PolarHBondContact O-N 2.61Å; Q382-I385 PolarHBondContact O-N 2.87Å; Q382-I385 VanDerWaalsContact O-N 3.15Å; I385-T387 VanDerWaalsContact C-N 3.3Å; I385-T387 PolarHBondContact O-N 2.92Å; I385-E388 PolarHBondContact O-N 2.99Å; I385-T389 WeakPolarHBondContact O-CB 2.91Å; I385-T389 WeakPolarHBondContact O-CG2 2.86Å; I385-T389 PolarHBondContact O-N 3.13Å; I385-T389 VanDerWaalsContact O-N 3.12Å; I385-T389 PolarHBondContact O-OG1 3.13Å
386	T	98.3	Very high	98.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.7	-42	175.2	-60.5	0	0	0	0	111.2	Q382 T389 Y390 G391 F394	Q382-T386 PolarHBondContact NE2-OG1 3.42Å; Q382-T386 WeakPolarHBondContact O-CB 3.46Å; Q382-T386 PolarHBondContact O-N 2.97Å; Q382-T386 PolarHBondContact O-OG1 3.46Å; T386-T389 PolarHBondContact O-N 3.33Å; T386-T389 PolarHBondContact O-OG1 3.47Å; T386-Y390 HydrophobicContact CG2-CD2 4.27Å; T386-Y390 WeakPolarHBondContact O-CA 3.5Å; T386-Y390 WeakPolarHBondContact O-CB 3.31Å; T386-Y390 PolarHBondContact O-N 3.34Å; T386-G391 PolarHBondContact O-N 2.91Å; T386-F394 HydrophobicContact CG2-CD1 3.44Å; T386-F394 VanDerWaalsContact CG2-CD1 3.44Å; T386-F394 HydrophobicContact CG2-CE1 3.6Å
387	T	98	Very high	98.3	Very high	44 Å²	44	19.8 Å²	19.8	27%	0.27	11%	0.112	S	C	.	.	H	α-helix	trans	-63.9	-43.1	177.2	-59	0	0	0	0	112.1	R383 R384 I385 T389 G391 A392 T395	R383-T387 WeakPolarHBondContact O-CB 3.05Å; R383-T387 PolarHBondContact O-N 3.31Å; R383-T387 PolarHBondContact O-OG1 3.42Å; R384-T387 WeakPolarHBondContact O-CB 3.22Å; R384-T387 PolarHBondContact O-N 2.97Å; I385-T387 VanDerWaalsContact C-N 3.3Å; I385-T387 PolarHBondContact O-N 2.92Å; T387-T389 PolarHBondContact O-N 2.74Å; T387-G391 WeakPolarHBondContact O-CA 3.43Å; T387-G391 PolarHBondContact O-N 3.28Å; T387-A392 HydrophobicContact CG2-CB 4.22Å; T387-T395 VanDerWaalsContact CA-OG1 3.3Å; T387-T395 WeakPolarHBondContact CA-OG1 3.3Å; T387-T395 PolarHBondContact N-OG1 2.92Å; T387-T395 WeakPolarHBondContact OG1-CB 3.27Å; T387-T395 WeakPolarHBondContact OG1-CG2 3.11Å; T387-T395 PolarHBondContact OG1-OG1 2.82Å
388	E	97.9	Very high	98.2	Very high	97 Å²	97	19.7 Å²	19.7	45%	0.453	11%	0.112	S	C	.	.	H	α-helix	trans	-66	-23.9	178.2	-72.1	-61.6	128.9	0	0	113.5	A300 L304 R384 I385	A300-E388 HydrophobicContact CB-CB 4.26Å; L304-E388 HydrophobicContact CD1-CG 4.25Å; R384-E388 WeakPolarHBondContact O-CG 3.47Å; R384-E388 PolarHBondContact O-N 3.1Å; I385-E388 PolarHBondContact O-N 2.99Å
389	T	97.9	Very high	98.2	Very high	25 Å²	25	19.8 Å²	19.8	15%	0.153	11%	0.112	C	C	.	.	H	α-helix	trans	-110.6	-33.7	-170.6	53.3	0	0	0	0	113.8	Q296 A300 I385 T386 T387	Q296-T389 HydrophobicContact CG-CG2 4.07Å; A300-T389 HydrophobicContact CB-CG2 3.81Å; I385-T389 WeakPolarHBondContact O-CB 2.91Å; I385-T389 WeakPolarHBondContact O-CG2 2.86Å; I385-T389 PolarHBondContact O-N 3.13Å; I385-T389 VanDerWaalsContact O-N 3.12Å; I385-T389 PolarHBondContact O-OG1 3.13Å; T386-T389 PolarHBondContact O-N 3.33Å; T386-T389 PolarHBondContact O-OG1 3.47Å; T387-T389 PolarHBondContact O-N 2.74Å
390	Y	97.9	Very high	98.2	Very high	83 Å²	83	20.2 Å²	20.2	33%	0.325	12%	0.116	S	C	.	.	H	α-helix	trans	-119.9	-9	-178.3	-61.7	-80	0	0	0	113.8	W297 V347 I351 T386 F394	W297-Y390 WeakPolarHBondContact CZ2-OH 3.45Å; W297-Y390 AromaticContact NE1-CE2 3.49Å; W297-Y390 AromaticContact NE1-CZ 3.73Å; W297-Y390 PolarHBondContact NE1-OH 3.32Å; W297-Y390 VanDerWaalsContact NE1-OH 3.13Å; V347-Y390 HydrophobicContact CG1-CD2 4.2Å; V347-Y390 HydrophobicContact CG1-CE2 3.46Å; V347-Y390 VanDerWaalsContact CG1-CE2 3.46Å; I351-Y390 HydrophobicContact CD1-CD2 4.47Å; I351-Y390 HydrophobicContact CD1-CE2 3.96Å; T386-Y390 HydrophobicContact CG2-CD2 4.27Å; T386-Y390 WeakPolarHBondContact O-CA 3.5Å; T386-Y390 WeakPolarHBondContact O-CB 3.31Å; T386-Y390 PolarHBondContact O-N 3.34Å; Y390-F394 HydrophobicContact CG-CD1 4.21Å; Y390-F394 HydrophobicContact CG-CE1 4.48Å
391	G	97.9	Very high	98	Very high	30 Å²	30	20 Å²	20	31%	0.309	12%	0.115	S	C	.	.			trans	87.3	156.3	176.3	0	0	0	0	0	114.3	T386 T387 A393 F394 T395	T386-G391 PolarHBondContact O-N 2.91Å; T387-G391 WeakPolarHBondContact O-CA 3.43Å; T387-G391 PolarHBondContact O-N 3.28Å; G391-A393 VanDerWaalsContact C-N 3.28Å; G391-A393 PolarHBondContact O-N 2.94Å; G391-F394 PolarHBondContact O-N 3.49Å; G391-F394 VanDerWaalsContact O-N 3.17Å; G391-T395 PolarHBondContact O-N 3.14Å; G391-T395 PolarHBondContact O-OG1 3.07Å
392	A	97.8	Very high	97.9	Very high	23 Å²	23	20.7 Å²	20.7	19%	0.19	12%	0.118	C	C	.	.	H	α-helix	trans	-58.5	-33.6	-172.7	0	0	0	0	0	114.2	T387 F394 T395 C396 Q524	T387-A392 HydrophobicContact CG2-CB 4.22Å; A392-F394 VanDerWaalsContact C-N 3.33Å; A392-F394 PolarHBondContact O-N 3.33Å; A392-T395 PolarHBondContact O-N 3.26Å; A392-C396 WeakPolarHBondContact O-CB 3.46Å; A392-C396 PolarHBondContact O-N 2.84Å; A392-C396 PolarHBondContact O-SG 2.84Å; A392-Q524 HydrophobicContact CB-CB 4.13Å; A392-Q524 VanDerWaalsContact CB-OE1 3.31Å
393	A	98.3	Very high	97.7	Very high	33 Å²	33	20.6 Å²	20.6	27%	0.273	12%	0.117	S	C	.	.	H	α-helix	trans	-62.3	-41.3	-179.9	0	0	0	0	0	112.2	G391 L397 L528	G391-A393 VanDerWaalsContact C-N 3.28Å; G391-A393 PolarHBondContact O-N 2.94Å; A393-L397 PolarHBondContact O-N 3.46Å; A393-L397 VanDerWaalsContact O-N 3.16Å; A393-L528 HydrophobicContact CB-CD1 4.19Å; A393-L528 WeakPolarHBondContact O-CD1 3.46Å
394	F	98.1	Very high	97.5	Very high	7 Å²	7	22.1 Å²	22.1	3%	0.031	13%	0.126	C	C	.	.	H	α-helix	trans	-69.3	-46.2	176.7	177.2	-102.8	0	0	0	111	E344 I348 T386 Y390 G391 A392 C396 L397 E398 F562	E344-F394 HydrophobicContact CB-CE2 4.34Å; E344-F394 HydrophobicContact CB-CZ 4.28Å; E344-F394 HydrophobicContact CG-CE2 4.01Å; E344-F394 HydrophobicContact CG-CZ 4.32Å; I348-F394 HydrophobicContact CG2-CE1 4.2Å; I348-F394 HydrophobicContact CG2-CZ 4.28Å; T386-F394 HydrophobicContact CG2-CD1 3.44Å; T386-F394 VanDerWaalsContact CG2-CD1 3.44Å; T386-F394 HydrophobicContact CG2-CE1 3.6Å; Y390-F394 HydrophobicContact CG-CD1 4.21Å; Y390-F394 HydrophobicContact CG-CE1 4.48Å; G391-F394 PolarHBondContact O-N 3.49Å; G391-F394 VanDerWaalsContact O-N 3.17Å; A392-F394 VanDerWaalsContact C-N 3.33Å; A392-F394 PolarHBondContact O-N 3.33Å; F394-C396 VanDerWaalsContact C-N 3.31Å; F394-C396 PolarHBondContact O-N 2.84Å; F394-L397 WeakPolarHBondContact O-CB 3.42Å; F394-L397 PolarHBondContact O-N 2.94Å; F394-L397 VanDerWaalsContact O-N 3.08Å; F394-E398 PolarHBondContact O-N 2.68Å; F394-F562 HydrophobicContact CE2-CD2 4.01Å; F394-F562 HydrophobicContact CE2-CE2 4.2Å; F394-F562 HydrophobicContact CZ-CD2 4.21Å; F394-F562 AromaticContact CZ-CE2 3.94Å; F394-F562 HydrophobicContact CZ-CE2 3.94Å
395	T	98.3	Very high	97.3	Very high	8 Å²	8	21 Å²	21	5%	0.049	12%	0.123	C	C	.	.	H	α-helix	trans	-56.5	-45.1	175.2	-46.9	0	0	0	0	111.6	R383 T387 G391 A392 L397 E398 T399	R383-T395 HydrophobicContact CB-CG2 3.79Å; R383-T395 HydrophobicContact CG-CG2 4.03Å; R383-T395 WeakPolarHBondContact O-CG2 3.25Å; T387-T395 VanDerWaalsContact CA-OG1 3.3Å; T387-T395 WeakPolarHBondContact CA-OG1 3.3Å; T387-T395 PolarHBondContact N-OG1 2.92Å; T387-T395 WeakPolarHBondContact OG1-CB 3.27Å; T387-T395 WeakPolarHBondContact OG1-CG2 3.11Å; T387-T395 PolarHBondContact OG1-OG1 2.82Å; G391-T395 PolarHBondContact O-N 3.14Å; G391-T395 PolarHBondContact O-OG1 3.07Å; A392-T395 PolarHBondContact O-N 3.26Å; T395-L397 VanDerWaalsContact C-N 3.31Å; T395-L397 PolarHBondContact O-N 2.97Å; T395-E398 PolarHBondContact O-N 3.03Å; T395-T399 WeakPolarHBondContact O-CB 3.27Å; T395-T399 PolarHBondContact O-N 3.3Å; T395-T399 PolarHBondContact O-OG1 3Å
396	C	98.5	Very high	97.1	Very high	12 Å²	12	21 Å²	21	8%	0.081	12%	0.123	C	C	.	.	H	α-helix	trans	-64	-34.8	178	-71.3	0	0	0	0	112.8	A392 F394 A400 L522 G525	A392-C396 WeakPolarHBondContact O-CB 3.46Å; A392-C396 PolarHBondContact O-N 2.84Å; A392-C396 PolarHBondContact O-SG 2.84Å; F394-C396 VanDerWaalsContact C-N 3.31Å; F394-C396 PolarHBondContact O-N 2.84Å; C396-A400 WeakPolarHBondContact O-CB 3.24Å; C396-A400 PolarHBondContact O-N 3.06Å; C396-L522 HydrophobicContact CB-CB 4.37Å; C396-L522 HydrophobicContact CB-CD2 4.26Å; C396-G525 VanDerWaalsContact CB-CA 3.44Å
397	L	98.3	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.6	-46.2	175.3	174.9	67.9	0	0	0	111.1	A393 F394 T395 A400 F401 L528 T529 R560 F562 Q563 L566	A393-L397 PolarHBondContact O-N 3.46Å; A393-L397 VanDerWaalsContact O-N 3.16Å; F394-L397 WeakPolarHBondContact O-CB 3.42Å; F394-L397 PolarHBondContact O-N 2.94Å; F394-L397 VanDerWaalsContact O-N 3.08Å; T395-L397 VanDerWaalsContact C-N 3.31Å; T395-L397 PolarHBondContact O-N 2.97Å; L397-A400 PolarHBondContact O-N 3.13Å; L397-F401 PolarHBondContact O-N 2.54Å; L397-L528 HydrophobicContact CB-CB 4.32Å; L397-L528 HydrophobicContact CB-CD1 4.14Å; L397-L528 HydrophobicContact CD1-CB 4.23Å; L397-L528 HydrophobicContact CD2-CB 4.19Å; L397-L528 HydrophobicContact CD2-CD1 3.96Å; L397-L528 HydrophobicContact CG-CB 4.49Å; L397-T529 HydrophobicContact CD1-CG2 4.02Å; L397-R560 HydrophobicContact CD2-CB 4.06Å; L397-F562 HydrophobicContact CD1-CB 4.35Å; L397-F562 HydrophobicContact CD2-CB 3.8Å; L397-F562 HydrophobicContact CG-CB 3.75Å; L397-Q563 HydrophobicContact CD1-CG 3.81Å; L397-Q563 HydrophobicContact CD2-CG 3.75Å; L397-Q563 HydrophobicContact CG-CG 4.46Å; L397-L566 HydrophobicContact CD1-CD1 3.62Å
398	E	97.1	Very high	96.5	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-61.8	-46.7	175.1	-176.9	-162.2	169.1	0	0	111.6	I348 Q382 F394 T395 A400 F401 R402 F562	I348-E398 WeakPolarHBondContact CB-OE1 3.43Å; I348-E398 HydrophobicContact CD1-CG 4.11Å; I348-E398 WeakPolarHBondContact CD1-OE1 3.45Å; I348-E398 HydrophobicContact CG2-CG 4.05Å; I348-E398 WeakPolarHBondContact CG2-OE1 3.24Å; I348-E398 WeakPolarHBondContact CG2-OE2 3.38Å; Q382-E398 VanDerWaalsContact NE2-CD 3.32Å; Q382-E398 PolarHBondContact NE2-OE1 3.11Å; Q382-E398 PolarHBondContact NE2-OE2 2.78Å; F394-E398 PolarHBondContact O-N 2.68Å; T395-E398 PolarHBondContact O-N 3.03Å; E398-A400 VanDerWaalsContact C-N 3.32Å; E398-A400 PolarHBondContact O-N 2.8Å; E398-F401 WeakPolarHBondContact O-CB 3.49Å; E398-F401 PolarHBondContact O-N 2.88Å; E398-R402 PolarHBondContact O-N 3.22Å; E398-F562 HydrophobicContact CB-CD2 4.42Å; E398-F562 HydrophobicContact CB-CE2 4.34Å; E398-F562 HydrophobicContact CG-CE2 4.22Å; E398-F562 HydrophobicContact CG-CZ 4.39Å
399	T	97.9	Very high	96.1	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	11%	0.114	C	C	.	.	H	α-helix	trans	-62.4	-39.7	177.9	-56.5	0	0	0	0	111.5	R383 T395 F401 R402 L403 Y445 P520 L522	R383-T399 WeakPolarHBondContact CD-OG1 3.4Å; R383-T399 PolarHBondContact NE-OG1 3.18Å; R383-T399 VanDerWaalsContact NE-OG1 3.13Å; T395-T399 WeakPolarHBondContact O-CB 3.27Å; T395-T399 PolarHBondContact O-N 3.3Å; T395-T399 PolarHBondContact O-OG1 3Å; T399-F401 VanDerWaalsContact C-N 3.34Å; T399-F401 PolarHBondContact O-N 2.81Å; T399-R402 PolarHBondContact O-N 3.4Å; T399-L403 HydrophobicContact CG2-CD1 3.94Å; T399-L403 HydrophobicContact CG2-CG 4.19Å; T399-L403 WeakPolarHBondContact O-CB 3.34Å; T399-L403 WeakPolarHBondContact O-CG 3.21Å; T399-L403 PolarHBondContact O-N 3.4Å; T399-Y445 HydrophobicContact CG2-CE1 3.88Å; T399-P520 HydrophobicContact CG2-CG 3.79Å; T399-L522 HydrophobicContact CG2-CD2 3.76Å
400	A	97.8	Very high	95.7	Very high	11 Å²	11	20.1 Å²	20.1	9%	0.091	11%	0.112	C	C	.	.	H	α-helix	trans	-59.7	-46.1	173.8	0	0	0	0	0	111.4	C396 L397 E398 R402 L403 D404 L522 T529 L566	C396-A400 WeakPolarHBondContact O-CB 3.24Å; C396-A400 PolarHBondContact O-N 3.06Å; L397-A400 PolarHBondContact O-N 3.13Å; E398-A400 VanDerWaalsContact C-N 3.32Å; E398-A400 PolarHBondContact O-N 2.8Å; A400-R402 PolarHBondContact O-N 3.03Å; A400-L403 PolarHBondContact O-N 3.26Å; A400-D404 WeakPolarHBondContact O-CB 3.38Å; A400-D404 PolarHBondContact O-N 3.03Å; A400-L522 HydrophobicContact CB-CD1 3.89Å; A400-T529 HydrophobicContact CB-CG2 4.21Å; A400-L566 HydrophobicContact CB-CD1 4.38Å
401	F	95.9	Very high	95.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.4	-46	176.3	168.9	-103.4	0	0	0	112.6	F345 L397 E398 T399 A405 F562 A565 L566 D569 R603	F345-F401 AromaticContact CE1-CE1 3.88Å; F345-F401 HydrophobicContact CE1-CE1 3.88Å; F345-F401 HydrophobicContact CE1-CZ 4.02Å; F345-F401 HydrophobicContact CZ-CE1 4.01Å; F345-F401 AromaticContact CZ-CZ 3.84Å; F345-F401 HydrophobicContact CZ-CZ 3.84Å; L397-F401 PolarHBondContact O-N 2.54Å; E398-F401 WeakPolarHBondContact O-CB 3.49Å; E398-F401 PolarHBondContact O-N 2.88Å; T399-F401 VanDerWaalsContact C-N 3.34Å; T399-F401 PolarHBondContact O-N 2.81Å; F401-A405 PolarHBondContact O-N 2.78Å; F401-F562 HydrophobicContact CB-CD1 4.24Å; F401-F562 AromaticContact CD1-CD1 3.65Å; F401-F562 HydrophobicContact CD1-CD1 3.65Å; F401-F562 AromaticContact CD1-CE1 3.71Å; F401-F562 HydrophobicContact CD1-CE1 3.71Å; F401-F562 HydrophobicContact CD2-CD1 4.34Å; F401-F562 HydrophobicContact CE1-CD1 4.09Å; F401-F562 AromaticContact CE1-CE1 3.87Å; F401-F562 HydrophobicContact CE1-CE1 3.87Å; F401-F562 AromaticContact CG-CD1 3.8Å; F401-F562 HydrophobicContact CG-CD1 3.8Å; F401-F562 HydrophobicContact CG-CE1 4.34Å; F401-A565 HydrophobicContact CD2-CB 4.23Å; F401-A565 HydrophobicContact CE2-CB 3.95Å; F401-L566 HydrophobicContact CB-CD1 4.35Å; F401-L566 HydrophobicContact CB-CD2 4.1Å; F401-L566 HydrophobicContact CB-CG 4.04Å; F401-L566 HydrophobicContact CD2-CD2 4.37Å; F401-L566 HydrophobicContact CD2-CG 4.28Å; F401-D569 WeakPolarHBondContact CE2-OD2 3.49Å; F401-R603 VanDerWaalsContact CE2-NH2 3.32Å; F401-R603 VanDerWaalsContact CZ-NH2 3.33Å
402	R	95.6	Very high	94.9	Very high	15 Å²	15	29.7 Å²	29.7	6%	0.057	15%	0.153	C	C	.	.	H	α-helix	trans	-71	-37.7	-179.7	-71.8	-71.4	-174.3	-139.7	-2.8	113.8	I348 D349 E398 T399 A400 A405 L406 E442 V722 S723	I348-R402 VanDerWaalsContact CD1-NH2 3.32Å; D349-R402 IonicContact OD1-NH2 3.33Å; E398-R402 PolarHBondContact O-N 3.22Å; T399-R402 PolarHBondContact O-N 3.4Å; A400-R402 PolarHBondContact O-N 3.03Å; R402-A405 WeakPolarHBondContact O-CB 3.44Å; R402-A405 PolarHBondContact O-N 3Å; R402-L406 PolarHBondContact O-N 3.09Å; R402-E442 HydrophobicContact CB-CG 4.29Å; R402-E442 VanDerWaalsContact CB-OE1 3.27Å; R402-E442 WeakPolarHBondContact CB-OE1 3.28Å; R402-E442 WeakPolarHBondContact CD-OE1 3.45Å; R402-E442 WeakPolarHBondContact CG-OE1 3.37Å; R402-V722 PolarHBondContact NH1-O 3.07Å; R402-S723 VanDerWaalsContact NH1-CA 3.29Å; R402-S723 PolarHBondContact NH1-O 2.93Å; R402-S723 PolarHBondContact NH2-O 3.18Å
403	L	96	Very high	94.4	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-68.3	-40.1	175.9	-70.5	177.7	0	0	0	111.8	T399 A400 A405 L406 H407 P520 L522	T399-L403 HydrophobicContact CG2-CD1 3.94Å; T399-L403 HydrophobicContact CG2-CG 4.19Å; T399-L403 WeakPolarHBondContact O-CB 3.34Å; T399-L403 WeakPolarHBondContact O-CG 3.21Å; T399-L403 PolarHBondContact O-N 3.4Å; A400-L403 PolarHBondContact O-N 3.26Å; L403-A405 PolarHBondContact O-N 3.36Å; L403-L406 HydrophobicContact CD2-CD2 4.31Å; L403-L406 WeakPolarHBondContact O-CB 3.3Å; L403-L406 PolarHBondContact O-N 2.79Å; L403-L406 VanDerWaalsContact O-N 3.12Å; L403-H407 VanDerWaalsContact O-CG 3.31Å; L403-H407 PolarHBondContact O-N 2.88Å; L403-H407 PolarHBondContact O-ND1 3.03Å; L403-P520 HydrophobicContact CD1-CG 3.89Å; L403-L522 HydrophobicContact CD1-CD1 4.31Å
404	D	94.1	Very high	93.9	Very high	37 Å²	37	30.9 Å²	30.9	20%	0.198	16%	0.159	C	C	.	.	H	α-helix	trans	-58.2	-40.7	172.9	-81	11.5	0	0	0	110.3	A400 H407 R408 L566 R570	A400-D404 WeakPolarHBondContact O-CB 3.38Å; A400-D404 PolarHBondContact O-N 3.03Å; D404-H407 PolarHBondContact O-N 3.39Å; D404-R408 WeakPolarHBondContact O-CG 3.39Å; D404-R408 PolarHBondContact O-N 3.02Å; D404-L566 HydrophobicContact CB-CD2 4.32Å; D404-L566 WeakPolarHBondContact OD2-CD2 3.46Å; D404-R570 IonicContact OD2-NE 3.98Å; D404-R570 IonicContact OD2-NH2 2.96Å
405	A	93.1	Very high	93.3	Very high	8 Å²	8	36.4 Å²	36.4	7%	0.066	19%	0.185	C	C	.	.	H	α-helix	trans	-64.2	-42.2	174.5	0	0	0	0	0	113.1	F401 R402 L403 H407 R408 Q409 L438	F401-A405 PolarHBondContact O-N 2.78Å; R402-A405 WeakPolarHBondContact O-CB 3.44Å; R402-A405 PolarHBondContact O-N 3Å; L403-A405 PolarHBondContact O-N 3.36Å; A405-H407 PolarHBondContact O-N 3.31Å; A405-R408 PolarHBondContact O-N 3.26Å; A405-Q409 PolarHBondContact O-N 3.36Å; A405-L438 HydrophobicContact CB-CD1 3.86Å
406	L	94.1	Very high	92.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-60.1	-45.3	174.6	176.7	67.5	0	0	0	111.2	R402 L403 R408 Q409 M410 L438 F439 E442 P516	R402-L406 PolarHBondContact O-N 3.09Å; L403-L406 HydrophobicContact CD2-CD2 4.31Å; L403-L406 WeakPolarHBondContact O-CB 3.3Å; L403-L406 PolarHBondContact O-N 2.79Å; L403-L406 VanDerWaalsContact O-N 3.12Å; L406-R408 VanDerWaalsContact C-N 3.34Å; L406-R408 PolarHBondContact O-N 3.14Å; L406-Q409 PolarHBondContact O-N 3.49Å; L406-M410 WeakPolarHBondContact O-CB 3.39Å; L406-M410 PolarHBondContact O-N 3.49Å; L406-L438 HydrophobicContact CB-CB 4.42Å; L406-L438 HydrophobicContact CD1-CB 3.77Å; L406-F439 HydrophobicContact CD1-CD1 3.57Å; L406-F439 HydrophobicContact CD1-CE1 3.73Å; L406-F439 HydrophobicContact CD1-CG 3.99Å; L406-F439 HydrophobicContact CD1-CZ 4.29Å; L406-E442 HydrophobicContact CB-CB 4.24Å; L406-E442 HydrophobicContact CD1-CB 4.38Å; L406-E442 HydrophobicContact CD2-CB 3.85Å; L406-E442 HydrophobicContact CG-CB 4.38Å; L406-P516 HydrophobicContact CD2-CG 3.82Å
407	H	93.5	Very high	92.5	Very high	60 Å²	60	43.2 Å²	43.2	28%	0.278	22%	0.222	S	C	.	.	H	α-helix	trans	-63.5	-38.9	178.5	-64.3	155.4	0	0	0	112	L403 D404 A405 M410 K411 E519	L403-H407 VanDerWaalsContact O-CG 3.31Å; L403-H407 PolarHBondContact O-N 2.88Å; L403-H407 PolarHBondContact O-ND1 3.03Å; D404-H407 PolarHBondContact O-N 3.39Å; A405-H407 PolarHBondContact O-N 3.31Å; H407-M410 PolarHBondContact O-N 3.36Å; H407-K411 PolarHBondContact O-N 2.9Å; H407-E519 IonicContact CD2-OE1 3.8Å; H407-E519 IonicContact CE1-OE1 3.27Å; H407-E519 PolarHBondContact CE1-OE1 2.87Å; H407-E519 IonicContact CE1-OE2 3.48Å; H407-E519 IonicContact NE2-OE1 3.91Å; H407-E519 PolarHBondContact NE2-OE1 3.31Å; H407-E519 IonicContact NE2-OE2 2.84Å
408	R	90.7	Very high	92.1	Very high	47 Å²	47	47.1 Å²	47.1	18%	0.177	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-47.7	172.2	-74.8	-173.9	-67.5	-93.7	10.3	111.7	D404 A405 L406 M410 K411 L412 D569 D573	D404-R408 WeakPolarHBondContact O-CG 3.39Å; D404-R408 PolarHBondContact O-N 3.02Å; A405-R408 PolarHBondContact O-N 3.26Å; L406-R408 VanDerWaalsContact C-N 3.34Å; L406-R408 PolarHBondContact O-N 3.14Å; R408-M410 VanDerWaalsContact C-N 3.28Å; R408-M410 PolarHBondContact O-N 2.96Å; R408-K411 WeakPolarHBondContact O-CB 3.39Å; R408-K411 PolarHBondContact O-N 3.22Å; R408-L412 WeakPolarHBondContact O-CG 3.4Å; R408-L412 PolarHBondContact O-N 3.45Å; R408-D569 IonicContact CZ-OD2 2.83Å; R408-D569 IonicContact NH1-OD2 3.49Å; R408-D569 IonicContact NH2-OD2 3.58Å; R408-D569 PolarHBondContact NH2-OD2 3.03Å; R408-D573 WeakPolarHBondContact CD-OD1 3.37Å; R408-D573 IonicContact NH1-OD2 2.96Å
409	Q	90.1	Very high	91.6	Very high	16 Å²	16	48.1 Å²	48.1	8%	0.075	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-41.4	177.5	178.4	166.8	34.9	0	0	111.7	A405 L406 L412 L413 L438 F439	A405-Q409 PolarHBondContact O-N 3.36Å; L406-Q409 PolarHBondContact O-N 3.49Å; Q409-L412 PolarHBondContact O-N 3.08Å; Q409-L413 HydrophobicContact CG-CD1 3.73Å; Q409-L413 HydrophobicContact CG-CG 4.38Å; Q409-L413 WeakPolarHBondContact O-CG 3.35Å; Q409-L413 PolarHBondContact O-N 3.31Å; Q409-L438 HydrophobicContact CB-CD1 4.25Å; Q409-F439 HydrophobicContact CG-CE2 4.06Å
410	M	89.9	Confident	91.3	Very high	24 Å²	24	48 Å²	48	12%	0.118	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-41.9	176.1	-174.3	175.5	68.1	0	0	112.4	L406 H407 R408 L412 L413 G414 E415 F439 P515	L406-M410 WeakPolarHBondContact O-CB 3.39Å; L406-M410 PolarHBondContact O-N 3.49Å; H407-M410 PolarHBondContact O-N 3.36Å; R408-M410 VanDerWaalsContact C-N 3.28Å; R408-M410 PolarHBondContact O-N 2.96Å; M410-L412 VanDerWaalsContact C-N 3.29Å; M410-L412 PolarHBondContact O-N 3.3Å; M410-L413 PolarHBondContact O-N 3.39Å; M410-G414 CarbonylContact O-C 3.48Å; M410-G414 WeakPolarHBondContact O-CA 3.44Å; M410-G414 PolarHBondContact O-N 2.97Å; M410-E415 HydrophobicContact CG-CG 4.47Å; M410-F439 HydrophobicContact CB-CE1 4.24Å; M410-F439 HydrophobicContact CB-CZ 3.96Å; M410-F439 HydrophobicContact CG-CE1 4.47Å; M410-F439 HydrophobicContact CG-CZ 4.37Å; M410-P515 HydrophobicContact CE-CB 3.95Å; M410-P515 HydrophobicContact CE-CG 4.39Å; M410-P515 VanDerWaalsContact SD-CA 3.55Å; M410-P515 HydrophobicContact SD-CB 3.65Å; M410-P515 VanDerWaalsContact SD-CD 3.51Å; M410-P515 HydrophobicContact SD-CG 4.09Å
411	K	89.8	Confident	91.1	Very high	176 Å²	176	50.6 Å²	50.6	77%	0.765	26%	0.262	S	S	*	.	H	α-helix	trans	-61.9	-37	175.6	-173.8	-179.3	177.2	-174	0	112.2	H407 R408	H407-K411 PolarHBondContact O-N 2.9Å; R408-K411 WeakPolarHBondContact O-CB 3.39Å; R408-K411 PolarHBondContact O-N 3.22Å
412	L	87.8	Confident	91	Very high	138 Å²	138	50.8 Å²	50.8	72%	0.723	26%	0.263	S	S	*	.	H	α-helix	trans	-72	-39.6	178.8	-69.5	171.5	0	0	0	112.9	R408 Q409 M410	R408-L412 WeakPolarHBondContact O-CG 3.4Å; R408-L412 PolarHBondContact O-N 3.45Å; Q409-L412 PolarHBondContact O-N 3.08Å; M410-L412 VanDerWaalsContact C-N 3.29Å; M410-L412 PolarHBondContact O-N 3.3Å
413	L	87.4	Confident	90.9	Very high	48 Å²	48	51 Å²	51	25%	0.251	27%	0.265	S	S	.	.	H	α-helix	trans	-86.7	-22.4	-176.9	-66.2	173.4	0	0	0	113.8	Q409 M410 V419 F439 L717	Q409-L413 HydrophobicContact CG-CD1 3.73Å; Q409-L413 HydrophobicContact CG-CG 4.38Å; Q409-L413 WeakPolarHBondContact O-CG 3.35Å; Q409-L413 PolarHBondContact O-N 3.31Å; M410-L413 PolarHBondContact O-N 3.39Å; L413-V419 HydrophobicContact CD1-CG2 3.99Å; L413-F439 HydrophobicContact CD1-CE2 3.92Å; L413-L717 HydrophobicContact CD1-CD2 3.95Å; L413-L717 HydrophobicContact CD2-CD2 3.62Å; L413-L717 HydrophobicContact CD2-CG 4.3Å; L413-L717 HydrophobicContact CG-CD2 4.44Å
414	G	87.3	Confident	90.5	Very high	33 Å²	33	51.5 Å²	51.5	34%	0.34	27%	0.268	S	S	.	.			trans	84.8	151.4	-169.5	0	0	0	0	0	112.7	M410 D416 S417	M410-G414 CarbonylContact O-C 3.48Å; M410-G414 WeakPolarHBondContact O-CA 3.44Å; M410-G414 PolarHBondContact O-N 2.97Å; G414-D416 VanDerWaalsContact C-N 3.3Å; G414-D416 PolarHBondContact O-N 2.95Å; G414-S417 VanDerWaalsContact O-CB 3.3Å; G414-S417 WeakPolarHBondContact O-CB 3.25Å; G414-S417 PolarHBondContact O-N 3.34Å
415	E	86.8	Confident	90.2	Very high	124 Å²	124	55.2 Å²	55.2	58%	0.579	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-25.6	-174.3	-64.6	-176.5	173.3	0	0	113.6	M410 S417 T513 G514	M410-E415 HydrophobicContact CG-CG 4.47Å; E415-S417 VanDerWaalsContact C-N 3.28Å; E415-S417 PolarHBondContact O-N 3.17Å; E415-T513 CarbonylContact O-C 3.37Å; E415-T513 VanDerWaalsContact O-CB 3.24Å; E415-T513 WeakPolarHBondContact O-CB 3.4Å; E415-T513 PolarHBondContact O-OG1 2.96Å; E415-G514 VanDerWaalsContact O-CA 3.25Å; E415-G514 WeakPolarHBondContact O-CA 3.33Å; E415-G514 PolarHBondContact O-N 3.13Å
416	D	89.7	Confident	89.9	Confident	141 Å²	141	55.3 Å²	55.3	75%	0.754	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	6.4	-179.5	-65.4	-40	0	0	0	113.4	G414 P418	G414-D416 VanDerWaalsContact C-N 3.3Å; G414-D416 PolarHBondContact O-N 2.95Å; D416-P418 WeakPolarHBondContact O-CD 3.15Å
417	S	89.6	Confident	89.6	Confident	21 Å²	21	61.6 Å²	61.6	15%	0.147	31%	0.311	C	S	.	.			trans	-64	123.6	-176.4	-172.8	0	0	0	0	111.8	G414 E415 V419 S420 T513	G414-S417 VanDerWaalsContact O-CB 3.3Å; G414-S417 WeakPolarHBondContact O-CB 3.25Å; G414-S417 PolarHBondContact O-N 3.34Å; E415-S417 VanDerWaalsContact C-N 3.28Å; E415-S417 PolarHBondContact O-N 3.17Å; S417-V419 PolarHBondContact O-N 2.97Å; S417-V419 VanDerWaalsContact O-N 3.14Å; S417-V419 VanDerWaalsContact OG-CG2 3.24Å; S417-V419 WeakPolarHBondContact OG-CG2 3.49Å; S417-S420 WeakPolarHBondContact O-CB 3.33Å; S417-S420 PolarHBondContact O-N 2.66Å; S417-S420 PolarHBondContact O-OG 2.67Å; S417-T513 WeakPolarHBondContact O-CG2 3.44Å
418	P	89.4	Confident	89.2	Confident	82 Å²	82	63.6 Å²	63.6	53%	0.532	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-59.9	-27.5	-179.5	-26.4	35.2	0	0	0	114.2	D416 S420 K421	D416-P418 WeakPolarHBondContact O-CD 3.15Å; P418-S420 PolarHBondContact O-N 3.41Å; P418-K421 WeakPolarHBondContact O-CG 3.21Å; P418-K421 PolarHBondContact O-N 3.23Å
419	V	87.4	Confident	89	Confident	23 Å²	23	62.9 Å²	62.9	14%	0.139	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-73.8	-5.5	179	-60.6	0	0	0	0	113.3	L413 S417 N437 L717	L413-V419 HydrophobicContact CD1-CG2 3.99Å; S417-V419 PolarHBondContact O-N 2.97Å; S417-V419 VanDerWaalsContact O-N 3.14Å; S417-V419 VanDerWaalsContact OG-CG2 3.24Å; S417-V419 WeakPolarHBondContact OG-CG2 3.49Å; V419-N437 PolarHBondContact O-ND2 2.96Å; V419-L717 HydrophobicContact CG1-CD1 4.18Å; V419-L717 HydrophobicContact CG2-CD1 4.28Å; V419-L717 HydrophobicContact CG2-CD2 4.25Å
420	S	91.8	Very high	88.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-89.4	-0.4	175.5	87.2	0	0	0	0	113.8	S417 P418 F439 K443 T513 G514	S417-S420 WeakPolarHBondContact O-CB 3.33Å; S417-S420 PolarHBondContact O-N 2.66Å; S417-S420 PolarHBondContact O-OG 2.67Å; P418-S420 PolarHBondContact O-N 3.41Å; S420-F439 VanDerWaalsContact CB-CE1 3.5Å; S420-K443 WeakPolarHBondContact O-CD 3.16Å; S420-K443 PolarHBondContact O-NZ 3.07Å; S420-T513 VanDerWaalsContact OG-CA 3.29Å; S420-T513 WeakPolarHBondContact OG-CA 3.17Å; S420-G514 PolarHBondContact OG-N 3.09Å
421	K	93.8	Very high	88.9	Confident	65 Å²	65	64.9 Å²	64.9	28%	0.283	35%	0.351	S	S	.	.	S	Bend	trans	-74.1	151.1	169.6	-60	178.7	179.4	-175.3	0	109.4	P418 V424 N511 T513	P418-K421 WeakPolarHBondContact O-CG 3.21Å; P418-K421 PolarHBondContact O-N 3.23Å; K421-V424 HydrophobicContact CB-CG2 4.18Å; K421-V424 WeakPolarHBondContact O-CG2 3.11Å; K421-N511 VanDerWaalsContact CD-O 3.25Å; K421-N511 WeakPolarHBondContact CD-O 3.46Å; K421-N511 WeakPolarHBondContact CE-O 3.49Å; K421-N511 WeakPolarHBondContact CG-O 3.22Å; K421-T513 HydrophobicContact CD-CG2 4.36Å; K421-T513 HydrophobicContact CG-CG2 3.85Å
422	L	93.7	Very high	88.9	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	31%	0.314	C	S	.	.	S	Bend	trans	-74.4	-39.9	172.1	-70.1	-176.9	0	0	0	111.7	W372 F439 K443 G444 F447 W509 L510	W372-L422 HydrophobicContact CB-CB 4.43Å; W372-L422 HydrophobicContact CB-CD2 4.37Å; W372-L422 HydrophobicContact CG-CB 4.16Å; L422-F439 VanDerWaalsContact CD2-O 3.3Å; L422-F439 WeakPolarHBondContact CD2-O 3.37Å; L422-K443 HydrophobicContact CD1-CG 4.35Å; L422-K443 HydrophobicContact CD2-CB 3.7Å; L422-K443 HydrophobicContact CD2-CD 4.13Å; L422-K443 HydrophobicContact CD2-CG 3.73Å; L422-K443 HydrophobicContact CG-CD 4.21Å; L422-K443 HydrophobicContact CG-CG 4.01Å; L422-G444 VanDerWaalsContact CD2-N 3.29Å; L422-F447 HydrophobicContact CD1-CB 3.85Å; L422-F447 HydrophobicContact CD1-CD1 4.01Å; L422-F447 HydrophobicContact CD1-CG 4.24Å; L422-W509 WeakPolarHBondContact CD1-O 3.43Å; L422-L510 PolarHBondContact N-O 2.8Å; L422-L510 VanDerWaalsContact N-O 3.08Å
423	Q	93	Very high	88.8	Confident	19 Å²	19	52 Å²	52	9%	0.089	29%	0.294	C	S	.	.	S	Bend	trans	-106	88.1	174.1	-163.9	-178.2	85	0	0	109.3	E369 E370 K425 L510 N511	E369-Q423 HydrophobicContact CB-CG 4.37Å; E369-Q423 WeakPolarHBondContact O-CA 3.49Å; E369-Q423 WeakPolarHBondContact O-CG 3.27Å; E370-Q423 PolarHBondContact OE1-NE2 3.17Å; E370-Q423 PolarHBondContact OE2-NE2 3.03Å; Q423-K425 PolarHBondContact O-N 2.92Å; Q423-K425 VanDerWaalsContact OE1-CE 3.31Å; Q423-L510 HydrophobicContact CB-CB 4.28Å; Q423-L510 PolarHBondContact N-O 3.34Å; Q423-N511 PolarHBondContact O-OD1 2.64Å
424	V	88.2	Confident	88.5	Confident	15 Å²	15	53 Å²	53	9%	0.091	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-80.1	120.5	176.2	-173.7	0	0	0	0	108.7	E369 K421 L426 L435	E369-V424 WeakPolarHBondContact CB-O 3.37Å; E369-V424 WeakPolarHBondContact CG-O 3.27Å; K421-V424 HydrophobicContact CB-CG2 4.18Å; K421-V424 WeakPolarHBondContact O-CG2 3.11Å; V424-L426 PolarHBondContact O-N 2.64Å; V424-L435 HydrophobicContact CB-CD1 4.26Å; V424-L435 HydrophobicContact CB-CD2 3.69Å; V424-L435 HydrophobicContact CG1-CD2 3.55Å; V424-L435 HydrophobicContact CG2-CD2 4.07Å
425	K	88.3	Confident	88.1	Confident	115 Å²	115	51.9 Å²	51.9	50%	0.5	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-72	124.9	173.4	-64.3	-67.5	161.3	-159.7	0	110.2	E369 Q423	E369-K425 WeakPolarHBondContact OE1-CA 3.15Å; E369-K425 WeakPolarHBondContact OE2-CD 3.23Å; E369-K425 IonicContact OE2-NZ 3.85Å; E369-K425 PolarHBondContact OE2-NZ 2.94Å; Q423-K425 PolarHBondContact O-N 2.92Å; Q423-K425 VanDerWaalsContact OE1-CE 3.31Å
426	L	85.8	Confident	87.8	Confident	10 Å²	10	47.9 Å²	47.9	5%	0.052	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-92.9	123.5	-179	-75.9	175.7	0	0	0	109.7	V30 W368 E369 V424 V430 P432 L435	V30-L426 HydrophobicContact CG2-CB 3.55Å; V30-L426 WeakPolarHBondContact CG2-O 3.3Å; W368-L426 HydrophobicContact CB-CD1 3.91Å; E369-L426 HydrophobicContact CG-CB 4.23Å; E369-L426 HydrophobicContact CG-CD1 4.28Å; E369-L426 HydrophobicContact CG-CG 4.16Å; E369-L426 PolarHBondContact OE1-N 3.1Å; V424-L426 PolarHBondContact O-N 2.64Å; L426-V430 HydrophobicContact CD2-CB 4.06Å; L426-V430 HydrophobicContact CD2-CG1 3.7Å; L426-P432 HydrophobicContact CD1-CG 4.34Å; L426-L435 HydrophobicContact CD1-CD1 3.83Å; L426-L435 HydrophobicContact CD2-CD1 3.66Å; L426-L435 HydrophobicContact CD2-CD2 4Å; L426-L435 HydrophobicContact CD2-CG 3.92Å; L426-L435 HydrophobicContact CG-CD1 3.79Å
427	E	87.4	Confident	87.7	Confident	133 Å²	133	41.2 Å²	41.2	62%	0.621	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-76.1	145.6	166.3	-64.1	-59.2	150.7	0	0	109.8	G429 V430	E427-G429 PolarHBondContact O-N 3.04Å; E427-V430 HydrophobicContact CB-CG2 4.07Å; E427-V430 WeakPolarHBondContact O-CB 3.13Å; E427-V430 WeakPolarHBondContact O-CG2 3.46Å; E427-V430 PolarHBondContact O-N 3.37Å; E427-V430 VanDerWaalsContact O-N 3.08Å
428	P	86.4	Confident	87.8	Confident	101 Å²	101	40.7 Å²	40.7	66%	0.656	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	128.7	174.7	-26.4	34.8	0	0	0	111.9	V30	V30-P428 HydrophobicContact CG1-CG 4.49Å
429	G	84.8	Confident	88	Confident	33 Å²	33	36.8 Å²	36.8	34%	0.34	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	-7.2	-178.4	0	0	0	0	0	115.4	E427	E427-G429 PolarHBondContact O-N 3.04Å
430	V	88.5	Confident	88.3	Confident	55 Å²	55	35.9 Å²	35.9	33%	0.333	20%	0.195	S	C	.	.			trans	-78.7	125.2	171.9	178.1	0	0	0	0	109.9	Y144 L426 E427 P432	Y144-V430 PolarHBondContact OH-O 2.93Å; L426-V430 HydrophobicContact CD2-CB 4.06Å; L426-V430 HydrophobicContact CD2-CG1 3.7Å; E427-V430 HydrophobicContact CB-CG2 4.07Å; E427-V430 WeakPolarHBondContact O-CB 3.13Å; E427-V430 WeakPolarHBondContact O-CG2 3.46Å; E427-V430 PolarHBondContact O-N 3.37Å; E427-V430 VanDerWaalsContact O-N 3.08Å; V430-P432 WeakPolarHBondContact O-CD 3.49Å
431	N	90.1	Very high	88.5	Confident	27 Å²	27	37.3 Å²	37.3	14%	0.144	20%	0.2	C	C	.	.			trans	-67.2	121.5	175.9	-170.4	-29.2	0	0	0	110.9	Y144 S433 H434	Y144-N431 HydrophobicContact CD1-CB 3.61Å; Y144-N431 HydrophobicContact CE1-CB 3.95Å; Y144-N431 HydrophobicContact CG-CB 4.34Å; N431-S433 PolarHBondContact O-N 3.29Å; N431-S433 VanDerWaalsContact O-N 3.11Å; N431-S433 WeakPolarHBondContact OD1-CB 3.44Å; N431-S433 PolarHBondContact OD1-N 2.86Å; N431-S433 PolarHBondContact OD1-OG 3.42Å; N431-H434 WeakPolarHBondContact O-CB 3.3Å; N431-H434 PolarHBondContact O-N 3.27Å
432	P	90	Very high	88.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-56.6	-26.3	177.9	-27.8	36	0	0	0	114.9	A31 V199 W368 L426 V430 H434 L435	A31-P432 HydrophobicContact CB-CG 3.37Å; V199-P432 HydrophobicContact CG1-CG 4.19Å; V199-P432 HydrophobicContact CG2-CG 4.23Å; W368-P432 HydrophobicContact CB-CB 3.74Å; W368-P432 HydrophobicContact CB-CG 4.14Å; W368-P432 HydrophobicContact CD2-CB 4.15Å; W368-P432 HydrophobicContact CG-CB 3.61Å; W368-P432 HydrophobicContact CG-CG 3.82Å; L426-P432 HydrophobicContact CD1-CG 4.34Å; V430-P432 WeakPolarHBondContact O-CD 3.49Å; P432-H434 PolarHBondContact O-N 3.03Å; P432-H434 VanDerWaalsContact O-N 3.08Å; P432-L435 WeakPolarHBondContact O-CB 3.23Å; P432-L435 PolarHBondContact O-N 3Å
433	S	86	Confident	88.8	Confident	44 Å²	44	34.4 Å²	34.4	31%	0.308	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-61.6	-17.7	177.3	-57.9	0	0	0	0	113.1	N431 L435	N431-S433 PolarHBondContact O-N 3.29Å; N431-S433 VanDerWaalsContact O-N 3.11Å; N431-S433 WeakPolarHBondContact OD1-CB 3.44Å; N431-S433 PolarHBondContact OD1-N 2.86Å; N431-S433 PolarHBondContact OD1-OG 3.42Å; S433-L435 VanDerWaalsContact C-N 3.26Å; S433-L435 PolarHBondContact O-N 3.13Å
434	H	80.9	Confident	89.1	Confident	69 Å²	69	33.5 Å²	33.5	32%	0.319	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-75.3	-11.8	173.2	-59.4	161.8	0	0	0	113.7	N431 P432	N431-H434 WeakPolarHBondContact O-CB 3.3Å; N431-H434 PolarHBondContact O-N 3.27Å; P432-H434 PolarHBondContact O-N 3.03Å; P432-H434 VanDerWaalsContact O-N 3.08Å
435	L	78.2	Confident	89.6	Confident	9 Å²	9	33.4 Å²	33.4	5%	0.047	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-86.3	-11.9	175.8	-59.2	-172.2	0	0	0	113.4	V424 L426 P432 S433 N437 T440	V424-L435 HydrophobicContact CB-CD1 4.26Å; V424-L435 HydrophobicContact CB-CD2 3.69Å; V424-L435 HydrophobicContact CG1-CD2 3.55Å; V424-L435 HydrophobicContact CG2-CD2 4.07Å; L426-L435 HydrophobicContact CD1-CD1 3.83Å; L426-L435 HydrophobicContact CD2-CD1 3.66Å; L426-L435 HydrophobicContact CD2-CD2 4Å; L426-L435 HydrophobicContact CD2-CG 3.92Å; L426-L435 HydrophobicContact CG-CD1 3.79Å; P432-L435 WeakPolarHBondContact O-CB 3.23Å; P432-L435 PolarHBondContact O-N 3Å; S433-L435 VanDerWaalsContact C-N 3.26Å; S433-L435 PolarHBondContact O-N 3.13Å; L435-N437 PolarHBondContact O-N 3.1Å; L435-N437 PolarHBondContact O-ND2 3.13Å; L435-T440 PolarHBondContact O-OG1 3.46Å
436	M	81.6	Confident	90.1	Very high	40 Å²	40	27.9 Å²	27.9	20%	0.197	16%	0.157	C	C	.	.			trans	-72.8	100.7	179	-69.7	-64	-82.3	0	0	110.3	H197 M371 Y441	H197-M436 VanDerWaalsContact CE1-SD 3.56Å; M371-M436 HydrophobicContact CE-CG 4.28Å; M371-M436 HydrophobicContact CE-SD 3.82Å; M371-M436 HydrophobicContact CG-SD 4.3Å; M371-M436 HydrophobicContact SD-CG 4.05Å; M371-M436 HydrophobicContact SD-SD 3.1Å; M436-Y441 HydrophobicContact CE-CE2 4.02Å; M436-Y441 WeakPolarHBondContact CE-OH 3.34Å; M436-Y441 HydrophobicContact SD-CE2 4.46Å
437	N	86.7	Confident	90.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.155	C	C	.	.	S	Bend	trans	-154	171.1	-178.2	64.9	45.5	0	0	0	110.4	V419 L435 F439 T440 Y441 V720	V419-N437 PolarHBondContact O-ND2 2.96Å; L435-N437 PolarHBondContact O-N 3.1Å; L435-N437 PolarHBondContact O-ND2 3.13Å; N437-F439 PolarHBondContact O-N 3.22Å; N437-F439 VanDerWaalsContact O-N 3.11Å; N437-F439 WeakPolarHBondContact OD1-CA 3.18Å; N437-F439 WeakPolarHBondContact OD1-CB 3.09Å; N437-F439 WeakPolarHBondContact OD1-CD2 3.47Å; N437-F439 PolarHBondContact OD1-N 3.1Å; N437-T440 PolarHBondContact O-N 3.04Å; N437-T440 PolarHBondContact OD1-N 3.29Å; N437-Y441 VanDerWaalsContact O-CD2 3.27Å; N437-Y441 WeakPolarHBondContact O-CD2 3.24Å; N437-V720 HydrophobicContact CB-CG2 4.21Å
438	L	91.6	Very high	91.2	Very high	9 Å²	9	21.1 Å²	21.1	5%	0.047	13%	0.126	C	C	.	.	H	α-helix	trans	-64.3	-17.9	-176.9	-65	163.6	0	0	0	113.3	A405 L406 Q409 Y441 E442 V720 V722	A405-L438 HydrophobicContact CB-CD1 3.86Å; L406-L438 HydrophobicContact CB-CB 4.42Å; L406-L438 HydrophobicContact CD1-CB 3.77Å; Q409-L438 HydrophobicContact CB-CD1 4.25Å; L438-Y441 PolarHBondContact O-N 3.5Å; L438-E442 HydrophobicContact CB-CG 4.37Å; L438-E442 HydrophobicContact CD2-CG 4.19Å; L438-E442 WeakPolarHBondContact O-CA 3.43Å; L438-E442 VanDerWaalsContact O-CB 3.23Å; L438-E442 WeakPolarHBondContact O-CB 3.29Å; L438-E442 PolarHBondContact O-N 3.04Å; L438-V720 HydrophobicContact CD1-CG1 4.27Å; L438-V720 HydrophobicContact CG-CG1 3.93Å; L438-V722 HydrophobicContact CD2-CB 4.48Å; L438-V722 HydrophobicContact CD2-CG1 3.68Å
439	F	93.9	Very high	91.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.	I	π-helix	trans	-66.6	-43.4	175.5	-57.5	-82.5	0	0	0	111	L406 Q409 M410 L413 S420 L422 N437 Y441 K443 G444	L406-F439 HydrophobicContact CD1-CD1 3.57Å; L406-F439 HydrophobicContact CD1-CE1 3.73Å; L406-F439 HydrophobicContact CD1-CG 3.99Å; L406-F439 HydrophobicContact CD1-CZ 4.29Å; Q409-F439 HydrophobicContact CG-CE2 4.06Å; M410-F439 HydrophobicContact CB-CE1 4.24Å; M410-F439 HydrophobicContact CB-CZ 3.96Å; M410-F439 HydrophobicContact CG-CE1 4.47Å; M410-F439 HydrophobicContact CG-CZ 4.37Å; L413-F439 HydrophobicContact CD1-CE2 3.92Å; S420-F439 VanDerWaalsContact CB-CE1 3.5Å; L422-F439 VanDerWaalsContact CD2-O 3.3Å; L422-F439 WeakPolarHBondContact CD2-O 3.37Å; N437-F439 PolarHBondContact O-N 3.22Å; N437-F439 VanDerWaalsContact O-N 3.11Å; N437-F439 WeakPolarHBondContact OD1-CA 3.18Å; N437-F439 WeakPolarHBondContact OD1-CB 3.09Å; N437-F439 WeakPolarHBondContact OD1-CD2 3.47Å; N437-F439 PolarHBondContact OD1-N 3.1Å; F439-Y441 PolarHBondContact O-N 3.44Å; F439-K443 HydrophobicContact CB-CB 4.3Å; F439-K443 HydrophobicContact CD1-CB 4.43Å; F439-K443 HydrophobicContact CD1-CD 4.15Å; F439-K443 WeakPolarHBondContact O-CA 3.3Å; F439-K443 VanDerWaalsContact O-CB 3.24Å; F439-K443 WeakPolarHBondContact O-CB 3.43Å; F439-K443 PolarHBondContact O-N 3.32Å; F439-K443 VanDerWaalsContact O-N 3.13Å; F439-G444 PolarHBondContact O-N 3.01Å; F439-G444 VanDerWaalsContact O-N 3.1Å
440	T	93.9	Very high	92.3	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.031	9%	0.09	C	C	.	.	I	π-helix	trans	-57.6	-35.5	178.1	-52.5	0	0	0	0	112.1	M371 W372 E375 G376 L435 N437	M371-T440 HydrophobicContact CB-CG2 4.06Å; M371-T440 HydrophobicContact CG-CG2 3.77Å; M371-T440 HydrophobicContact SD-CG2 3.98Å; W372-T440 HydrophobicContact CB-CG2 4.31Å; E375-T440 HydrophobicContact CB-CG2 4.06Å; E375-T440 HydrophobicContact CG-CG2 4.09Å; G376-T440 PolarHBondContact N-O 2.86Å; L435-T440 PolarHBondContact O-OG1 3.46Å; N437-T440 PolarHBondContact O-N 3.04Å; N437-T440 PolarHBondContact OD1-N 3.29Å
441	Y	96.2	Very high	92.8	Very high	30 Å²	30	15.1 Å²	15.1	12%	0.118	7%	0.074	C	C	.	.	I	π-helix	trans	-87.8	-63.6	179.5	-67	-105.1	0	0	0	112.2	H352 E375 M436 N437 L438 F439 Y445 V722	H352-Y441 AromaticContact CE1-CD1 3.98Å; H352-Y441 AromaticContact NE2-CE1 3.81Å; E375-Y441 HydrophobicContact CB-CD1 3.88Å; E375-Y441 HydrophobicContact CB-CD2 4.19Å; E375-Y441 HydrophobicContact CB-CE1 3.97Å; E375-Y441 HydrophobicContact CB-CE2 4.28Å; E375-Y441 HydrophobicContact CB-CG 4Å; E375-Y441 VanDerWaalsContact CD-OH 3.22Å; E375-Y441 HydrophobicContact CG-CD1 4.31Å; E375-Y441 HydrophobicContact CG-CD2 4.36Å; E375-Y441 HydrophobicContact CG-CE1 3.89Å; E375-Y441 HydrophobicContact CG-CE2 3.94Å; E375-Y441 PolarHBondContact OE1-OH 3.25Å; E375-Y441 VanDerWaalsContact OE1-OH 3.13Å; E375-Y441 WeakPolarHBondContact OE2-CE1 3.29Å; E375-Y441 VanDerWaalsContact OE2-CZ 3.32Å; E375-Y441 PolarHBondContact OE2-OH 3.44Å; M436-Y441 HydrophobicContact CE-CE2 4.02Å; M436-Y441 WeakPolarHBondContact CE-OH 3.34Å; M436-Y441 HydrophobicContact SD-CE2 4.46Å; N437-Y441 VanDerWaalsContact O-CD2 3.27Å; N437-Y441 WeakPolarHBondContact O-CD2 3.24Å; L438-Y441 PolarHBondContact O-N 3.5Å; F439-Y441 PolarHBondContact O-N 3.44Å; Y441-Y445 WeakPolarHBondContact O-CB 3.39Å; Y441-Y445 PolarHBondContact O-N 3.36Å; Y441-V722 HydrophobicContact CD1-CG1 4.08Å; Y441-V722 HydrophobicContact CD2-CG1 3.7Å; Y441-V722 HydrophobicContact CE1-CG1 4.16Å; Y441-V722 HydrophobicContact CE2-CG1 3.8Å; Y441-V722 HydrophobicContact CE2-CG2 4.22Å; Y441-V722 HydrophobicContact CG-CG1 3.85Å
442	E	97.3	Very high	93.1	Very high	6 Å²	6	14 Å²	14	3%	0.028	7%	0.068	C	C	.	.	I	π-helix	trans	-83.1	-42	-166.3	-62.5	-59.3	159.8	0	0	113	R383 R402 L406 L438 G444 Y445 C446	R383-E442 IonicContact CZ-OE1 3.69Å; R383-E442 IonicContact CZ-OE2 3.69Å; R383-E442 IonicContact NH1-OE1 3.28Å; R383-E442 IonicContact NH1-OE2 3.84Å; R383-E442 PolarHBondContact NH1-OE2 3.03Å; R383-E442 IonicContact NH2-OE1 3.36Å; R383-E442 PolarHBondContact NH2-OE1 3.28Å; R383-E442 IonicContact NH2-OE2 3.88Å; R383-E442 PolarHBondContact NH2-OE2 3.5Å; R402-E442 HydrophobicContact CB-CG 4.29Å; R402-E442 VanDerWaalsContact CB-OE1 3.27Å; R402-E442 WeakPolarHBondContact CB-OE1 3.28Å; R402-E442 WeakPolarHBondContact CD-OE1 3.45Å; R402-E442 WeakPolarHBondContact CG-OE1 3.37Å; L406-E442 HydrophobicContact CB-CB 4.24Å; L406-E442 HydrophobicContact CD1-CB 4.38Å; L406-E442 HydrophobicContact CD2-CB 3.85Å; L406-E442 HydrophobicContact CG-CB 4.38Å; L438-E442 HydrophobicContact CB-CG 4.37Å; L438-E442 HydrophobicContact CD2-CG 4.19Å; L438-E442 WeakPolarHBondContact O-CA 3.43Å; L438-E442 VanDerWaalsContact O-CB 3.23Å; L438-E442 WeakPolarHBondContact O-CB 3.29Å; L438-E442 PolarHBondContact O-N 3.04Å; E442-G444 VanDerWaalsContact C-N 3.25Å; E442-G444 PolarHBondContact O-N 3.34Å; E442-Y445 WeakPolarHBondContact O-CB 3.5Å; E442-Y445 PolarHBondContact O-N 3.48Å; E442-C446 PolarHBondContact O-N 2.79Å; E442-C446 PolarHBondContact O-SG 3.22Å; E442-C446 VanDerWaalsContact O-SG 3.32Å
443	K	97.2	Very high	93.4	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.009	9%	0.089	C	C	.	.	I	π-helix	trans	-68	-33.7	170.7	-173	178.3	176.9	173.3	0	109.9	S420 L422 F439 C446 F447 A512 G514 P516	S420-K443 WeakPolarHBondContact O-CD 3.16Å; S420-K443 PolarHBondContact O-NZ 3.07Å; L422-K443 HydrophobicContact CD1-CG 4.35Å; L422-K443 HydrophobicContact CD2-CB 3.7Å; L422-K443 HydrophobicContact CD2-CD 4.13Å; L422-K443 HydrophobicContact CD2-CG 3.73Å; L422-K443 HydrophobicContact CG-CD 4.21Å; L422-K443 HydrophobicContact CG-CG 4.01Å; F439-K443 HydrophobicContact CB-CB 4.3Å; F439-K443 HydrophobicContact CD1-CB 4.43Å; F439-K443 HydrophobicContact CD1-CD 4.15Å; F439-K443 WeakPolarHBondContact O-CA 3.3Å; F439-K443 VanDerWaalsContact O-CB 3.24Å; F439-K443 WeakPolarHBondContact O-CB 3.43Å; F439-K443 PolarHBondContact O-N 3.32Å; F439-K443 VanDerWaalsContact O-N 3.13Å; K443-C446 PolarHBondContact O-N 3.06Å; K443-F447 PolarHBondContact O-N 3.12Å; K443-A512 PolarHBondContact NZ-O 3.46Å; K443-G514 PolarHBondContact NZ-O 2.82Å; K443-P516 HydrophobicContact CB-CG 4.27Å; K443-P516 HydrophobicContact CG-CB 4.33Å; K443-P516 HydrophobicContact CG-CG 4.12Å
444	G	97.8	Very high	93.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.2	-48.7	173	0	0	0	0	0	111.4	L422 F439 E442 C446 F447 V448	L422-G444 VanDerWaalsContact CD2-N 3.29Å; F439-G444 PolarHBondContact O-N 3.01Å; F439-G444 VanDerWaalsContact O-N 3.1Å; E442-G444 VanDerWaalsContact C-N 3.25Å; E442-G444 PolarHBondContact O-N 3.34Å; G444-C446 PolarHBondContact O-N 2.89Å; G444-F447 PolarHBondContact O-N 3.22Å; G444-V448 WeakPolarHBondContact O-CG2 3.45Å; G444-V448 PolarHBondContact O-N 3.23Å
445	Y	98.4	Very high	94.4	Very high	12 Å²	12	15 Å²	15	5%	0.047	7%	0.069	C	C	.	.	H	α-helix	trans	-56	-48.2	171.7	160.3	-101.4	0	0	0	112.5	T379 Y380 R383 T399 Y441 E442 F447 V448 Y449 P520	T379-Y445 HydrophobicContact CG2-CD2 4.47Å; T379-Y445 HydrophobicContact CG2-CG 4.29Å; Y380-Y445 HydrophobicContact CD2-CD2 4.01Å; Y380-Y445 AromaticContact CD2-CE2 3.88Å; Y380-Y445 HydrophobicContact CD2-CE2 3.88Å; Y380-Y445 HydrophobicContact CG-CD2 4.44Å; R383-Y445 HydrophobicContact CB-CE2 4.21Å; R383-Y445 HydrophobicContact CG-CE2 4.29Å; T399-Y445 HydrophobicContact CG2-CE1 3.88Å; Y441-Y445 WeakPolarHBondContact O-CB 3.39Å; Y441-Y445 PolarHBondContact O-N 3.36Å; E442-Y445 WeakPolarHBondContact O-CB 3.5Å; E442-Y445 PolarHBondContact O-N 3.48Å; Y445-F447 PolarHBondContact O-N 3.49Å; Y445-V448 PolarHBondContact O-N 3.29Å; Y445-V448 VanDerWaalsContact O-N 3.16Å; Y445-Y449 WeakPolarHBondContact O-CB 3.43Å; Y445-Y449 PolarHBondContact O-N 3.16Å; Y445-P520 HydrophobicContact CE1-CB 4.37Å; Y445-P520 HydrophobicContact CE1-CG 3.89Å
446	C	98.6	Very high	94.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.1	-37.6	-179.9	-75.1	0	0	0	0	111.4	E442 K443 G444 Y450 W509 P516	E442-C446 PolarHBondContact O-N 2.79Å; E442-C446 PolarHBondContact O-SG 3.22Å; E442-C446 VanDerWaalsContact O-SG 3.32Å; K443-C446 PolarHBondContact O-N 3.06Å; G444-C446 PolarHBondContact O-N 2.89Å; C446-Y450 WeakPolarHBondContact O-CB 3.49Å; C446-Y450 PolarHBondContact O-N 2.98Å; C446-W509 HydrophobicContact CB-CH2 4.25Å; C446-W509 HydrophobicContact CB-CZ3 4.14Å; C446-P516 HydrophobicContact CB-CB 3.71Å; C446-P516 HydrophobicContact CB-CG 4.13Å
447	F	98.4	Very high	95.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.6	-46.9	175	-177.1	-145.9	0	0	0	112	W372 L422 K443 G444 Y445 Y449 Y450 L451 L483 F506 W509 L510	W372-F447 HydrophobicContact CE3-CD1 4.38Å; W372-F447 AromaticContact CH2-CD1 3.65Å; W372-F447 HydrophobicContact CH2-CD1 3.65Å; W372-F447 AromaticContact CH2-CE1 3.59Å; W372-F447 HydrophobicContact CH2-CE1 3.59Å; W372-F447 HydrophobicContact CZ2-CD1 4.43Å; W372-F447 HydrophobicContact CZ2-CE1 4.23Å; W372-F447 AromaticContact CZ3-CD1 3.63Å; W372-F447 HydrophobicContact CZ3-CD1 3.63Å; W372-F447 HydrophobicContact CZ3-CE1 4.08Å; L422-F447 HydrophobicContact CD1-CB 3.85Å; L422-F447 HydrophobicContact CD1-CD1 4.01Å; L422-F447 HydrophobicContact CD1-CG 4.24Å; K443-F447 PolarHBondContact O-N 3.12Å; G444-F447 PolarHBondContact O-N 3.22Å; Y445-F447 PolarHBondContact O-N 3.49Å; F447-Y449 VanDerWaalsContact C-N 3.33Å; F447-Y449 PolarHBondContact O-N 3.42Å; F447-Y450 HydrophobicContact CD2-CD1 4.15Å; F447-Y450 HydrophobicContact CE2-CD1 4.28Å; F447-Y450 WeakPolarHBondContact O-CB 3.48Å; F447-Y450 PolarHBondContact O-N 3.4Å; F447-Y450 VanDerWaalsContact O-N 3.16Å; F447-L451 HydrophobicContact CD2-CG 4.4Å; F447-L451 HydrophobicContact CE2-CD1 4.49Å; F447-L451 HydrophobicContact CE2-CD2 3.93Å; F447-L451 HydrophobicContact CE2-CG 4.13Å; F447-L451 HydrophobicContact CZ-CD1 4.42Å; F447-L451 HydrophobicContact CZ-CD2 4.33Å; F447-L451 WeakPolarHBondContact O-CG 3.34Å; F447-L451 PolarHBondContact O-N 3.38Å; F447-L483 HydrophobicContact CE1-CD2 4.24Å; F447-L483 HydrophobicContact CZ-CD2 3.83Å; F447-F506 AromaticContact CE2-CD1 3.97Å; F447-F506 HydrophobicContact CE2-CD1 3.97Å; F447-F506 HydrophobicContact CE2-CE1 4.47Å; F447-F506 HydrophobicContact CE2-CG 4.49Å; F447-F506 HydrophobicContact CZ-CB 4.28Å; F447-F506 HydrophobicContact CZ-CD1 4.21Å; F447-F506 HydrophobicContact CZ-CG 4.28Å; F447-W509 HydrophobicContact CB-CD2 4.1Å; F447-W509 HydrophobicContact CB-CE3 3.62Å; F447-W509 HydrophobicContact CB-CZ3 3.93Å; F447-W509 HydrophobicContact CD1-CB 4.32Å; F447-W509 HydrophobicContact CD2-CB 3.68Å; F447-W509 AromaticContact CD2-CD1 3.76Å; F447-W509 AromaticContact CD2-CD2 3.48Å; F447-W509 HydrophobicContact CD2-CD2 3.48Å; F447-W509 VanDerWaalsContact CD2-CD2 3.48Å; F447-W509 AromaticContact CD2-CE2 3.91Å; F447-W509 AromaticContact CD2-CE3 3.95Å; F447-W509 HydrophobicContact CD2-CE3 3.95Å; F447-W509 AromaticContact CD2-CG 3.37Å; F447-W509 HydrophobicContact CD2-CG 3.37Å; F447-W509 HydrophobicContact CE1-CB 4.33Å; F447-W509 HydrophobicContact CE2-CB 3.71Å; F447-W509 AromaticContact CE2-CD1 3.7Å; F447-W509 HydrophobicContact CE2-CD2 4.2Å; F447-W509 AromaticContact CE2-CG 3.6Å; F447-W509 HydrophobicContact CE2-CG 3.6Å; F447-W509 HydrophobicContact CG-CB 4.01Å; F447-W509 HydrophobicContact CG-CD2 4.01Å; F447-W509 HydrophobicContact CG-CE3 4.01Å; F447-W509 HydrophobicContact CG-CG 4.05Å; F447-W509 HydrophobicContact CZ-CB 4.04Å; F447-W509 HydrophobicContact CZ-CG 4.41Å; F447-L510 HydrophobicContact CD1-CD2 4.38Å; F447-L510 HydrophobicContact CE1-CD2 3.89Å
448	V	98.3	Very high	95.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-39.8	177.4	-179.8	0	0	0	0	111.3	W372 L377 Y380 G444 Y445 Y450 L451 S452 F461	W372-V448 HydrophobicContact CZ3-CG2 4.3Å; L377-V448 HydrophobicContact CD2-CG1 3.86Å; L377-V448 HydrophobicContact CD2-CG2 3.78Å; L377-V448 HydrophobicContact CG-CG2 4.18Å; Y380-V448 HydrophobicContact CD1-CG1 3.7Å; Y380-V448 HydrophobicContact CD2-CB 4.24Å; Y380-V448 HydrophobicContact CD2-CG1 3.77Å; Y380-V448 HydrophobicContact CE1-CG1 4.32Å; Y380-V448 HydrophobicContact CE2-CG1 4.39Å; Y380-V448 HydrophobicContact CG-CB 4.11Å; Y380-V448 HydrophobicContact CG-CG1 3.39Å; G444-V448 WeakPolarHBondContact O-CG2 3.45Å; G444-V448 PolarHBondContact O-N 3.23Å; Y445-V448 PolarHBondContact O-N 3.29Å; Y445-V448 VanDerWaalsContact O-N 3.16Å; V448-Y450 VanDerWaalsContact C-N 3.35Å; V448-L451 WeakPolarHBondContact O-CB 3.28Å; V448-L451 PolarHBondContact O-N 3.24Å; V448-S452 PolarHBondContact O-N 3.16Å; V448-F461 HydrophobicContact CG1-CE1 3.81Å; V448-F461 HydrophobicContact CG1-CZ 3.83Å
449	Y	98	Very high	95.5	Very high	46 Å²	46	26.2 Å²	26.2	18%	0.18	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-43.3	173.1	-179.8	-88.7	0	0	0	111.2	Y380 Y445 F447 L451 S452 Q453 P520	Y380-Y449 HydrophobicContact CE2-CD2 4.34Å; Y445-Y449 WeakPolarHBondContact O-CB 3.43Å; Y445-Y449 PolarHBondContact O-N 3.16Å; F447-Y449 VanDerWaalsContact C-N 3.33Å; F447-Y449 PolarHBondContact O-N 3.42Å; Y449-L451 VanDerWaalsContact C-N 3.34Å; Y449-L451 PolarHBondContact O-N 3.43Å; Y449-S452 WeakPolarHBondContact O-CA 3.28Å; Y449-S452 WeakPolarHBondContact O-CB 3.47Å; Y449-S452 PolarHBondContact O-N 3.2Å; Y449-S452 VanDerWaalsContact O-N 3.11Å; Y449-Q453 HydrophobicContact CD1-CG 3.87Å; Y449-Q453 HydrophobicContact CE1-CG 3.39Å; Y449-Q453 WeakPolarHBondContact O-CG 3.4Å; Y449-Q453 PolarHBondContact O-N 2.83Å; Y449-Q453 PolarHBondContact OH-NE2 2.65Å; Y449-P520 HydrophobicContact CD1-CB 3.91Å; Y449-P520 HydrophobicContact CD2-CB 4.15Å; Y449-P520 VanDerWaalsContact CE1-CA 3.43Å; Y449-P520 HydrophobicContact CE1-CB 3.75Å; Y449-P520 HydrophobicContact CE2-CB 3.97Å; Y449-P520 HydrophobicContact CG-CB 4.12Å
450	Y	97.7	Very high	95.6	Very high	16 Å²	16	30.8 Å²	30.8	6%	0.063	17%	0.165	C	C	.	.	H	α-helix	trans	-58.6	-43.6	174.1	168.9	-111.4	0	0	0	111.9	C446 F447 V448 S452 Q453 L454 L504 F506 W509	C446-Y450 WeakPolarHBondContact O-CB 3.49Å; C446-Y450 PolarHBondContact O-N 2.98Å; F447-Y450 HydrophobicContact CD2-CD1 4.15Å; F447-Y450 HydrophobicContact CE2-CD1 4.28Å; F447-Y450 WeakPolarHBondContact O-CB 3.48Å; F447-Y450 PolarHBondContact O-N 3.4Å; F447-Y450 VanDerWaalsContact O-N 3.16Å; V448-Y450 VanDerWaalsContact C-N 3.35Å; Y450-S452 VanDerWaalsContact C-N 3.31Å; Y450-S452 PolarHBondContact O-N 3.27Å; Y450-Q453 WeakPolarHBondContact O-CB 3.23Å; Y450-Q453 PolarHBondContact O-N 3.06Å; Y450-Q453 VanDerWaalsContact O-N 3.08Å; Y450-L454 HydrophobicContact CD1-CD1 4.37Å; Y450-L454 HydrophobicContact CE1-CD1 3.79Å; Y450-L454 HydrophobicContact CE1-CG 4.33Å; Y450-L454 HydrophobicContact CE2-CD1 4.39Å; Y450-L454 HydrophobicContact CE2-CD2 3.93Å; Y450-L454 HydrophobicContact CE2-CG 4.07Å; Y450-L454 PolarHBondContact O-N 2.73Å; Y450-L504 HydrophobicContact CE1-CB 4.48Å; Y450-L504 HydrophobicContact CE2-CB 4.49Å; Y450-L504 HydrophobicContact CE2-CD1 3.91Å; Y450-L504 WeakPolarHBondContact OH-CB 3.29Å; Y450-F506 HydrophobicContact CE1-CD1 4.43Å; Y450-F506 HydrophobicContact CE1-CE1 4.04Å; Y450-W509 AromaticContact CD1-CE2 3.74Å; Y450-W509 AromaticContact CD1-CZ2 3.92Å; Y450-W509 HydrophobicContact CD1-CZ2 3.92Å; Y450-W509 AromaticContact CD1-NE1 3.32Å; Y450-W509 VanDerWaalsContact CD1-NE1 3.32Å; Y450-W509 HydrophobicContact CD2-CZ2 4.42Å; Y450-W509 AromaticContact CE1-NE1 3.4Å; Y450-W509 AromaticContact CG-CZ2 3.77Å; Y450-W509 HydrophobicContact CG-CZ2 3.77Å
451	L	97.7	Very high	95.8	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-59.1	-42.4	173.5	-62.7	180	0	0	0	111.6	F447 V448 Y449 Q453 L454 C455 F461 L483 F486 F506	F447-L451 HydrophobicContact CD2-CG 4.4Å; F447-L451 HydrophobicContact CE2-CD1 4.49Å; F447-L451 HydrophobicContact CE2-CD2 3.93Å; F447-L451 HydrophobicContact CE2-CG 4.13Å; F447-L451 HydrophobicContact CZ-CD1 4.42Å; F447-L451 HydrophobicContact CZ-CD2 4.33Å; F447-L451 WeakPolarHBondContact O-CG 3.34Å; F447-L451 PolarHBondContact O-N 3.38Å; V448-L451 WeakPolarHBondContact O-CB 3.28Å; V448-L451 PolarHBondContact O-N 3.24Å; Y449-L451 VanDerWaalsContact C-N 3.34Å; Y449-L451 PolarHBondContact O-N 3.43Å; L451-Q453 VanDerWaalsContact C-N 3.29Å; L451-Q453 PolarHBondContact O-N 3.04Å; L451-L454 HydrophobicContact CD2-CD1 4.34Å; L451-L454 PolarHBondContact O-N 3.36Å; L451-C455 PolarHBondContact O-N 2.77Å; L451-C455 PolarHBondContact O-SG 2.89Å; L451-C455 VanDerWaalsContact O-SG 3.37Å; L451-F461 HydrophobicContact CB-CE2 3.74Å; L451-F461 HydrophobicContact CB-CZ 3.99Å; L451-L483 HydrophobicContact CD1-CD2 4.44Å; L451-F486 HydrophobicContact CB-CE2 4.08Å; L451-F486 HydrophobicContact CB-CZ 4.21Å; L451-F486 HydrophobicContact CD2-CD1 4.4Å; L451-F486 HydrophobicContact CD2-CE1 4.11Å; L451-F486 HydrophobicContact CD2-CZ 4.28Å; L451-F506 HydrophobicContact CD2-CD1 4.33Å; L451-F506 HydrophobicContact CD2-CE1 3.57Å; L451-F506 HydrophobicContact CD2-CE2 4.32Å; L451-F506 HydrophobicContact CD2-CZ 3.55Å
452	S	96.9	Very high	95.8	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-61.5	-36	174.2	-178.4	0	0	0	0	112.9	Y380 V448 Y449 Y450 C455	Y380-S452 WeakPolarHBondContact OH-CB 3.44Å; Y380-S452 PolarHBondContact OH-OG 2.83Å; V448-S452 PolarHBondContact O-N 3.16Å; Y449-S452 WeakPolarHBondContact O-CA 3.28Å; Y449-S452 WeakPolarHBondContact O-CB 3.47Å; Y449-S452 PolarHBondContact O-N 3.2Å; Y449-S452 VanDerWaalsContact O-N 3.11Å; Y450-S452 VanDerWaalsContact C-N 3.31Å; Y450-S452 PolarHBondContact O-N 3.27Å; S452-C455 WeakPolarHBondContact O-CB 3.32Å; S452-C455 PolarHBondContact O-N 3.47Å
453	Q	95.8	Very high	95.8	Very high	95 Å²	95	31.9 Å²	31.9	44%	0.444	17%	0.172	S	C	.	.	H	α-helix	trans	-69.6	-35.9	177.6	-68.8	-58.7	-69.2	0	0	112.2	Y449 Y450 L451 C455 G456	Y449-Q453 HydrophobicContact CD1-CG 3.87Å; Y449-Q453 HydrophobicContact CE1-CG 3.39Å; Y449-Q453 WeakPolarHBondContact O-CG 3.4Å; Y449-Q453 PolarHBondContact O-N 2.83Å; Y449-Q453 PolarHBondContact OH-NE2 2.65Å; Y450-Q453 WeakPolarHBondContact O-CB 3.23Å; Y450-Q453 PolarHBondContact O-N 3.06Å; Y450-Q453 VanDerWaalsContact O-N 3.08Å; L451-Q453 VanDerWaalsContact C-N 3.29Å; L451-Q453 PolarHBondContact O-N 3.04Å; Q453-C455 PolarHBondContact O-N 3.1Å; Q453-G456 PolarHBondContact O-N 3.02Å
454	L	95.3	Very high	95.9	Very high	30 Å²	30	31.8 Å²	31.8	16%	0.157	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-31.5	175.4	-68.6	177	0	0	0	112.1	Y450 L451 G456 F486 L493 V498 F506	Y450-L454 HydrophobicContact CD1-CD1 4.37Å; Y450-L454 HydrophobicContact CE1-CD1 3.79Å; Y450-L454 HydrophobicContact CE1-CG 4.33Å; Y450-L454 HydrophobicContact CE2-CD1 4.39Å; Y450-L454 HydrophobicContact CE2-CD2 3.93Å; Y450-L454 HydrophobicContact CE2-CG 4.07Å; Y450-L454 PolarHBondContact O-N 2.73Å; L451-L454 HydrophobicContact CD2-CD1 4.34Å; L451-L454 PolarHBondContact O-N 3.36Å; L454-G456 VanDerWaalsContact C-N 3.26Å; L454-G456 PolarHBondContact O-N 3.09Å; L454-F486 HydrophobicContact CB-CZ 4.41Å; L454-L493 HydrophobicContact CB-CD1 4.02Å; L454-L493 WeakPolarHBondContact O-CD2 3.34Å; L454-V498 HydrophobicContact CD1-CB 4.32Å; L454-V498 HydrophobicContact CD1-CG2 4.12Å; L454-F506 HydrophobicContact CD1-CE1 3.95Å; L454-F506 HydrophobicContact CD1-CZ 4.12Å
455	C	92.3	Very high	95.9	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.061	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.9	176.5	-57.7	0	0	0	0	113.8	L451 S452 Q453 D457 F486 F490	L451-C455 PolarHBondContact O-N 2.77Å; L451-C455 PolarHBondContact O-SG 2.89Å; L451-C455 VanDerWaalsContact O-SG 3.37Å; S452-C455 WeakPolarHBondContact O-CB 3.32Å; S452-C455 PolarHBondContact O-N 3.47Å; Q453-C455 PolarHBondContact O-N 3.1Å; C455-D457 PolarHBondContact O-N 3.08Å; C455-F486 VanDerWaalsContact SG-CE2 3.54Å; C455-F490 HydrophobicContact CB-CE1 4.27Å; C455-F490 HydrophobicContact CB-CZ 4.24Å; C455-F490 WeakPolarHBondContact SG-CE2 3.49Å; C455-F490 WeakPolarHBondContact SG-CZ 3.25Å
456	G	87.4	Confident	95.9	Very high	71 Å²	71	35.1 Å²	35.1	73%	0.732	19%	0.185	S	C	*	.	S	Bend	trans	71.8	-18.3	-177.7	0	0	0	0	0	115.9	Q453 L454	Q453-G456 PolarHBondContact O-N 3.02Å; L454-G456 VanDerWaalsContact C-N 3.26Å; L454-G456 PolarHBondContact O-N 3.09Å
457	D	90.1	Very high	95.9	Very high	71 Å²	71	37 Å²	37	38%	0.38	20%	0.2	S	C	.	.			trans	-133.3	116.6	178.6	179.6	1.5	0	0	0	110.2	C455 Q459 R460 F461	C455-D457 PolarHBondContact O-N 3.08Å; D457-Q459 PolarHBondContact O-N 3.43Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.38Å; D457-Q459 PolarHBondContact OD1-N 3.33Å; D457-R460 HydrophobicContact CB-CB 4.29Å; D457-R460 HydrophobicContact CB-CG 3.93Å; D457-R460 PolarHBondContact O-N 3.49Å; D457-R460 VanDerWaalsContact O-N 3.16Å; D457-F461 PolarHBondContact O-N 3.26Å
458	P	90.1	Very high	95.9	Very high	58 Å²	58	37 Å²	37	38%	0.377	20%	0.2	S	C	.	.	H	α-helix	trans	-55.7	-31.8	176.9	-24.8	34	0	0	0	114	R384 F461 D462	R384-P458 PolarHBondContact NH1-O 2.96Å; P458-F461 PolarHBondContact O-N 2.96Å; P458-D462 PolarHBondContact O-N 3.26Å
459	Q	93.7	Very high	95.9	Very high	95 Å²	95	37.1 Å²	37.1	44%	0.444	20%	0.201	S	C	.	.	H	α-helix	trans	-69.3	-37.9	180	-174.1	60.8	62.8	0	0	111.8	D457 F461 D462 D463	D457-Q459 PolarHBondContact O-N 3.43Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.38Å; D457-Q459 PolarHBondContact OD1-N 3.33Å; Q459-F461 VanDerWaalsContact C-N 3.26Å; Q459-F461 PolarHBondContact O-N 2.86Å; Q459-D462 PolarHBondContact O-N 2.91Å; Q459-D463 PolarHBondContact O-N 3.15Å
460	R	96.5	Very high	95.9	Very high	96 Å²	96	40.6 Å²	40.6	36%	0.362	22%	0.219	S	C	.	.	H	α-helix	trans	-63.7	-36.2	174	-67.6	-176.2	70.5	-157.7	1.7	111.3	D457 D463 F464 F490 E492	D457-R460 HydrophobicContact CB-CB 4.29Å; D457-R460 HydrophobicContact CB-CG 3.93Å; D457-R460 PolarHBondContact O-N 3.49Å; D457-R460 VanDerWaalsContact O-N 3.16Å; R460-D463 PolarHBondContact O-N 3.21Å; R460-F464 PolarHBondContact O-N 2.86Å; R460-F464 VanDerWaalsContact O-N 3.08Å; R460-F490 HydrophobicContact CB-CE1 4.14Å; R460-F490 HydrophobicContact CB-CZ 4.45Å; R460-E492 IonicContact CZ-OE1 3.36Å; R460-E492 IonicContact NH1-OE1 3.06Å; R460-E492 PolarHBondContact NH1-OE1 2.94Å; R460-E492 IonicContact NH2-OE1 2.71Å; R460-E492 PolarHBondContact NH2-OE1 2.97Å
461	F	97.6	Very high	95.9	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-69.8	-36.7	175.6	-168.8	-106.9	0	0	0	112.1	Y380 V448 L451 D457 P458 Q459 D463 F464 L465 F486	Y380-F461 HydrophobicContact CD1-CE1 4.21Å; Y380-F461 AromaticContact CE1-CD1 3.76Å; Y380-F461 HydrophobicContact CE1-CD1 3.76Å; Y380-F461 AromaticContact CE1-CE1 3.56Å; Y380-F461 HydrophobicContact CE1-CE1 3.56Å; Y380-F461 HydrophobicContact CE2-CE1 4.42Å; Y380-F461 AromaticContact CZ-CD1 3.72Å; Y380-F461 AromaticContact CZ-CE1 3.69Å; Y380-F461 WeakPolarHBondContact OH-CD1 3.1Å; V448-F461 HydrophobicContact CG1-CE1 3.81Å; V448-F461 HydrophobicContact CG1-CZ 3.83Å; L451-F461 HydrophobicContact CB-CE2 3.74Å; L451-F461 HydrophobicContact CB-CZ 3.99Å; D457-F461 PolarHBondContact O-N 3.26Å; P458-F461 PolarHBondContact O-N 2.96Å; Q459-F461 VanDerWaalsContact C-N 3.26Å; Q459-F461 PolarHBondContact O-N 2.86Å; F461-D463 VanDerWaalsContact C-N 3.32Å; F461-D463 PolarHBondContact O-N 3.39Å; F461-F464 AromaticContact CD2-CD1 3.88Å; F461-F464 HydrophobicContact CD2-CD1 3.88Å; F461-F464 AromaticContact CE2-CD1 3.67Å; F461-F464 HydrophobicContact CE2-CD1 3.67Å; F461-F464 AromaticContact CE2-CE1 3.95Å; F461-F464 HydrophobicContact CE2-CE1 3.95Å; F461-F464 HydrophobicContact CZ-CD1 4.28Å; F461-F464 HydrophobicContact CZ-CE1 4.37Å; F461-F464 WeakPolarHBondContact O-CB 3.33Å; F461-F464 PolarHBondContact O-N 2.68Å; F461-L465 HydrophobicContact CD1-CD1 3.96Å; F461-L465 HydrophobicContact CD1-CG 4.17Å; F461-L465 HydrophobicContact CE1-CD1 3.69Å; F461-L465 HydrophobicContact CE1-CD2 4.2Å; F461-L465 HydrophobicContact CE1-CG 3.92Å; F461-L465 HydrophobicContact CZ-CD2 4.24Å; F461-L465 HydrophobicContact CZ-CG 4.36Å; F461-L465 PolarHBondContact O-N 2.91Å; F461-F486 HydrophobicContact CD2-CE2 4.04Å; F461-F486 HydrophobicContact CE2-CD2 4.09Å; F461-F486 AromaticContact CE2-CE2 3.83Å; F461-F486 HydrophobicContact CE2-CE2 3.83Å
462	D	96.4	Very high	95.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.5	-40.5	172.8	-58.6	-30	0	0	0	111.6	L304 R384 P458 Q459 F464 L465 R466	L304-D462 HydrophobicContact CD2-CB 4.48Å; R384-D462 IonicContact CZ-OD1 2.77Å; R384-D462 VanDerWaalsContact CZ-OD1 3.27Å; R384-D462 IonicContact CZ-OD2 3.62Å; R384-D462 VanDerWaalsContact CZ-OD2 3.3Å; R384-D462 IonicContact NH1-OD1 2.9Å; R384-D462 PolarHBondContact NH1-OD1 3.29Å; R384-D462 IonicContact NH1-OD2 3.95Å; R384-D462 PolarHBondContact NH1-OD2 3.34Å; R384-D462 IonicContact NH2-OD1 3.77Å; R384-D462 PolarHBondContact NH2-OD1 3.38Å; R384-D462 IonicContact NH2-OD2 3.75Å; R384-D462 PolarHBondContact NH2-OD2 3.34Å; P458-D462 PolarHBondContact O-N 3.26Å; Q459-D462 PolarHBondContact O-N 2.91Å; D462-F464 VanDerWaalsContact C-N 3.31Å; D462-F464 PolarHBondContact O-N 3.04Å; D462-L465 PolarHBondContact O-N 3.33Å; D462-R466 PolarHBondContact O-N 3.24Å
463	D	97.7	Very high	95.9	Very high	63 Å²	63	49.9 Å²	49.9	34%	0.337	26%	0.259	S	S	.	.	H	α-helix	trans	-62.8	-38.9	175.1	-68.2	-21	0	0	0	111.9	Q459 R460 F461 R466 A467 F489	Q459-D463 PolarHBondContact O-N 3.15Å; R460-D463 PolarHBondContact O-N 3.21Å; F461-D463 VanDerWaalsContact C-N 3.32Å; F461-D463 PolarHBondContact O-N 3.39Å; D463-R466 PolarHBondContact O-N 3.29Å; D463-R466 IonicContact OD1-CZ 3.51Å; D463-R466 IonicContact OD1-NH1 3.94Å; D463-R466 PolarHBondContact OD1-NH1 2.82Å; D463-R466 IonicContact OD1-NH2 3.56Å; D463-A467 WeakPolarHBondContact O-CB 3.33Å; D463-A467 PolarHBondContact O-N 2.96Å; D463-F489 HydrophobicContact CB-CZ 4.3Å
464	F	98.4	Very high	96	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-49.3	170.9	160.2	-107.3	0	0	0	111.7	R460 F461 D462 R466 A467 Y468 L482 F486 F489 F490	R460-F464 PolarHBondContact O-N 2.86Å; R460-F464 VanDerWaalsContact O-N 3.08Å; F461-F464 AromaticContact CD2-CD1 3.88Å; F461-F464 HydrophobicContact CD2-CD1 3.88Å; F461-F464 AromaticContact CE2-CD1 3.67Å; F461-F464 HydrophobicContact CE2-CD1 3.67Å; F461-F464 AromaticContact CE2-CE1 3.95Å; F461-F464 HydrophobicContact CE2-CE1 3.95Å; F461-F464 HydrophobicContact CZ-CD1 4.28Å; F461-F464 HydrophobicContact CZ-CE1 4.37Å; F461-F464 WeakPolarHBondContact O-CB 3.33Å; F461-F464 PolarHBondContact O-N 2.68Å; D462-F464 VanDerWaalsContact C-N 3.31Å; D462-F464 PolarHBondContact O-N 3.04Å; F464-R466 VanDerWaalsContact C-N 3.29Å; F464-R466 PolarHBondContact O-N 3.12Å; F464-A467 CarbonylContact O-C 3.57Å; F464-A467 WeakPolarHBondContact O-CB 3.46Å; F464-A467 PolarHBondContact O-N 2.9Å; F464-A467 VanDerWaalsContact O-N 3.1Å; F464-Y468 WeakPolarHBondContact O-CB 2.85Å; F464-Y468 PolarHBondContact O-N 3.45Å; F464-L482 HydrophobicContact CE1-CD1 4.11Å; F464-L482 HydrophobicContact CZ-CD1 3.8Å; F464-F486 HydrophobicContact CD1-CD2 4.08Å; F464-F486 HydrophobicContact CE1-CB 4.3Å; F464-F486 AromaticContact CE1-CD2 3.88Å; F464-F486 HydrophobicContact CE1-CD2 3.88Å; F464-F486 VanDerWaalsContact CE2-CA 3.41Å; F464-F486 HydrophobicContact CE2-CB 3.96Å; F464-F486 HydrophobicContact CE2-CD2 4.47Å; F464-F486 HydrophobicContact CG-CD2 4.45Å; F464-F486 HydrophobicContact CZ-CB 3.68Å; F464-F486 HydrophobicContact CZ-CD2 4.08Å; F464-F486 HydrophobicContact CZ-CG 4.4Å; F464-F489 HydrophobicContact CB-CD1 3.74Å; F464-F489 HydrophobicContact CB-CE1 3.79Å; F464-F489 HydrophobicContact CB-CG 4.15Å; F464-F489 HydrophobicContact CB-CZ 4.27Å; F464-F489 HydrophobicContact CD2-CB 3.78Å; F464-F489 HydrophobicContact CD2-CD1 4.25Å; F464-F489 HydrophobicContact CD2-CD2 4.29Å; F464-F489 AromaticContact CD2-CG 3.86Å; F464-F489 HydrophobicContact CD2-CG 3.86Å; F464-F489 HydrophobicContact CE2-CB 4.44Å; F464-F489 HydrophobicContact CG-CD1 4.44Å; F464-F489 HydrophobicContact CG-CG 4.48Å; F464-F490 HydrophobicContact CB-CE2 3.66Å; F464-F490 HydrophobicContact CB-CZ 3.82Å; F464-F490 HydrophobicContact CD1-CE2 4.47Å; F464-F490 HydrophobicContact CD2-CE2 4.36Å; F464-F490 AromaticContact CG-CE2 3.9Å; F464-F490 HydrophobicContact CG-CE2 3.9Å
465	L	98.4	Very high	96	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-38.4	179.8	-72.1	-178.9	0	0	0	111.7	Y305 F359 L377 Y380 F461 D462 Y468 V469	Y305-L465 HydrophobicContact CD1-CB 4.1Å; Y305-L465 HydrophobicContact CD1-CD1 4.44Å; Y305-L465 HydrophobicContact CE1-CB 4.21Å; Y305-L465 HydrophobicContact CE1-CD1 3.76Å; F359-L465 HydrophobicContact CE1-CD2 4.23Å; F359-L465 HydrophobicContact CZ-CB 4.23Å; F359-L465 HydrophobicContact CZ-CD1 4.29Å; F359-L465 HydrophobicContact CZ-CD2 4.33Å; L377-L465 HydrophobicContact CD2-CD2 4.03Å; Y380-L465 HydrophobicContact CD1-CD1 3.97Å; Y380-L465 HydrophobicContact CE1-CD1 3.74Å; F461-L465 HydrophobicContact CD1-CD1 3.96Å; F461-L465 HydrophobicContact CD1-CG 4.17Å; F461-L465 HydrophobicContact CE1-CD1 3.69Å; F461-L465 HydrophobicContact CE1-CD2 4.2Å; F461-L465 HydrophobicContact CE1-CG 3.92Å; F461-L465 HydrophobicContact CZ-CD2 4.24Å; F461-L465 HydrophobicContact CZ-CG 4.36Å; F461-L465 PolarHBondContact O-N 2.91Å; D462-L465 PolarHBondContact O-N 3.33Å; L465-Y468 PolarHBondContact O-N 3.46Å; L465-V469 WeakPolarHBondContact O-CG2 3.1Å; L465-V469 PolarHBondContact O-N 2.85Å
466	R	98.3	Very high	96.3	Very high	80 Å²	80	50.1 Å²	50.1	30%	0.302	27%	0.265	S	S	.	.	H	α-helix	trans	-61.5	-44.7	172.8	-168	-177.5	-55.5	109.1	-0.4	111.7	R303 L304 D462 D463 F464 Y468 V469 E470	R303-R466 PolarHBondContact O-NH2 3.45Å; L304-R466 PolarHBondContact O-NH2 2.64Å; D462-R466 PolarHBondContact O-N 3.24Å; D463-R466 PolarHBondContact O-N 3.29Å; D463-R466 IonicContact OD1-CZ 3.51Å; D463-R466 IonicContact OD1-NH1 3.94Å; D463-R466 PolarHBondContact OD1-NH1 2.82Å; D463-R466 IonicContact OD1-NH2 3.56Å; F464-R466 VanDerWaalsContact C-N 3.29Å; F464-R466 PolarHBondContact O-N 3.12Å; R466-Y468 VanDerWaalsContact C-N 3.35Å; R466-V469 PolarHBondContact O-N 2.78Å; R466-E470 WeakPolarHBondContact O-CB 3.49Å; R466-E470 PolarHBondContact O-N 3.34Å
467	A	98.4	Very high	96.7	Very high	39 Å²	39	46.8 Å²	46.8	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-66.1	-37.1	176.5	0	0	0	0	0	112.4	D463 F464 E470 K471 F489	D463-A467 WeakPolarHBondContact O-CB 3.33Å; D463-A467 PolarHBondContact O-N 2.96Å; F464-A467 CarbonylContact O-C 3.57Å; F464-A467 WeakPolarHBondContact O-CB 3.46Å; F464-A467 PolarHBondContact O-N 2.9Å; F464-A467 VanDerWaalsContact O-N 3.1Å; A467-E470 PolarHBondContact O-N 3.01Å; A467-K471 VanDerWaalsContact O-CB 3.31Å; A467-K471 WeakPolarHBondContact O-CB 3.5Å; A467-K471 PolarHBondContact O-N 2.77Å; A467-F489 HydrophobicContact CB-CD2 4.1Å; A467-F489 HydrophobicContact CB-CE2 3.64Å
468	Y	98.6	Very high	97	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-48.4	175.5	174.2	-101.9	0	0	0	111.4	F359 V363 L377 F464 L465 R466 E470 K471 Y472 V477 L482	F359-Y468 HydrophobicContact CE1-CD1 4.37Å; V363-Y468 HydrophobicContact CB-CE1 4.38Å; V363-Y468 HydrophobicContact CG1-CE1 3.77Å; V363-Y468 HydrophobicContact CG2-CE1 4.43Å; L377-Y468 HydrophobicContact CD1-CE1 4.17Å; F464-Y468 WeakPolarHBondContact O-CB 2.85Å; F464-Y468 PolarHBondContact O-N 3.45Å; L465-Y468 PolarHBondContact O-N 3.46Å; R466-Y468 VanDerWaalsContact C-N 3.35Å; Y468-E470 PolarHBondContact O-N 3.31Å; Y468-K471 PolarHBondContact O-N 3.25Å; Y468-Y472 AromaticContact CD2-CD2 3.43Å; Y468-Y472 HydrophobicContact CD2-CD2 3.43Å; Y468-Y472 VanDerWaalsContact CD2-CD2 3.43Å; Y468-Y472 AromaticContact CD2-CE2 3.63Å; Y468-Y472 HydrophobicContact CD2-CE2 3.63Å; Y468-Y472 AromaticContact CE2-CD2 3.37Å; Y468-Y472 HydrophobicContact CE2-CD2 3.37Å; Y468-Y472 AromaticContact CE2-CE2 3.58Å; Y468-Y472 HydrophobicContact CE2-CE2 3.58Å; Y468-Y472 HydrophobicContact CE2-CG 4.3Å; Y468-Y472 HydrophobicContact CG-CD2 4.24Å; Y468-Y472 WeakPolarHBondContact O-CD2 3.27Å; Y468-Y472 PolarHBondContact O-N 2.99Å; Y468-V477 WeakPolarHBondContact OH-CG2 3.42Å; Y468-L482 HydrophobicContact CD1-CD1 4.18Å; Y468-L482 HydrophobicContact CD2-CD1 3.76Å; Y468-L482 HydrophobicContact CE1-CD1 3.96Å; Y468-L482 HydrophobicContact CE2-CB 4.01Å; Y468-L482 HydrophobicContact CE2-CD1 3.53Å; Y468-L482 HydrophobicContact CE2-CG 4.4Å; Y468-L482 HydrophobicContact CG-CD1 4.07Å
469	V	98.5	Very high	97.3	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-45	175.2	176.1	0	0	0	0	110.9	M309 W358 F359 V363 L465 R466 K471 Y472 K473	M309-V469 HydrophobicContact CE-CG1 4.45Å; W358-V469 HydrophobicContact CB-CG2 4.14Å; F359-V469 HydrophobicContact CD1-CG2 4.4Å; F359-V469 HydrophobicContact CE1-CG2 3.72Å; F359-V469 HydrophobicContact CZ-CG2 3.99Å; V363-V469 HydrophobicContact CG2-CB 4.46Å; V363-V469 HydrophobicContact CG2-CG1 4.34Å; V363-V469 HydrophobicContact CG2-CG2 4.36Å; L465-V469 WeakPolarHBondContact O-CG2 3.1Å; L465-V469 PolarHBondContact O-N 2.85Å; R466-V469 PolarHBondContact O-N 2.78Å; V469-K471 VanDerWaalsContact C-N 3.25Å; V469-K471 PolarHBondContact O-N 3.06Å; V469-Y472 PolarHBondContact O-N 2.73Å; V469-K473 HydrophobicContact CG1-CB 4.38Å; V469-K473 WeakPolarHBondContact O-CA 3.43Å; V469-K473 WeakPolarHBondContact O-CB 3.38Å; V469-K473 PolarHBondContact O-N 3.02Å
470	E	97.9	Very high	97.5	Very high	118 Å²	118	42.9 Å²	42.9	55%	0.551	21%	0.208	S	C	*	.	H	α-helix	trans	-61	-36.7	179.4	-175.2	57.2	-154.7	0	0	112.5	R466 A467 Y468 K473	R466-E470 WeakPolarHBondContact O-CB 3.49Å; R466-E470 PolarHBondContact O-N 3.34Å; A467-E470 PolarHBondContact O-N 3.01Å; Y468-E470 PolarHBondContact O-N 3.31Å; E470-K473 WeakPolarHBondContact OE1-CE 3.21Å; E470-K473 IonicContact OE1-NZ 2.86Å; E470-K473 PolarHBondContact OE1-NZ 3.46Å; E470-K473 WeakPolarHBondContact OE2-CE 3.42Å; E470-K473 IonicContact OE2-NZ 2.76Å; E470-K473 PolarHBondContact OE2-NZ 3.33Å
471	K	98.2	Very high	97.5	Very high	122 Å²	122	40.8 Å²	40.8	53%	0.53	20%	0.204	S	C	.	.	H	α-helix	trans	-70.5	-39.5	178.9	-177.4	179	175.7	-158.8	0	113	A467 Y468 V469	A467-K471 VanDerWaalsContact O-CB 3.31Å; A467-K471 WeakPolarHBondContact O-CB 3.5Å; A467-K471 PolarHBondContact O-N 2.77Å; Y468-K471 PolarHBondContact O-N 3.25Å; V469-K471 VanDerWaalsContact C-N 3.25Å; V469-K471 PolarHBondContact O-N 3.06Å
472	Y	98	Very high	97.5	Very high	28 Å²	28	40.8 Å²	40.8	11%	0.11	20%	0.204	C	C	.	.	H	α-helix	trans	-114.6	4	-169.7	-65.2	-74.7	0	0	0	114.6	Y468 V469 F474 T475 V477 D481	Y468-Y472 AromaticContact CD2-CD2 3.43Å; Y468-Y472 HydrophobicContact CD2-CD2 3.43Å; Y468-Y472 VanDerWaalsContact CD2-CD2 3.43Å; Y468-Y472 AromaticContact CD2-CE2 3.63Å; Y468-Y472 HydrophobicContact CD2-CE2 3.63Å; Y468-Y472 AromaticContact CE2-CD2 3.37Å; Y468-Y472 HydrophobicContact CE2-CD2 3.37Å; Y468-Y472 AromaticContact CE2-CE2 3.58Å; Y468-Y472 HydrophobicContact CE2-CE2 3.58Å; Y468-Y472 HydrophobicContact CE2-CG 4.3Å; Y468-Y472 HydrophobicContact CG-CD2 4.24Å; Y468-Y472 WeakPolarHBondContact O-CD2 3.27Å; Y468-Y472 PolarHBondContact O-N 2.99Å; V469-Y472 PolarHBondContact O-N 2.73Å; Y472-F474 PolarHBondContact O-N 3.12Å; Y472-T475 PolarHBondContact O-N 2.98Å; Y472-T475 PolarHBondContact O-OG1 2.72Å; Y472-V477 HydrophobicContact CD1-CG1 3.46Å; Y472-V477 VanDerWaalsContact CD1-CG1 3.46Å; Y472-V477 HydrophobicContact CD2-CG1 4.49Å; Y472-V477 HydrophobicContact CE1-CG1 3.99Å; Y472-V477 HydrophobicContact CG-CG1 3.74Å; Y472-D481 HydrophobicContact CE1-CB 4.09Å; Y472-D481 PolarHBondContact OH-O 3.06Å
473	K	97	Very high	97.6	Very high	65 Å²	65	41.1 Å²	41.1	28%	0.283	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	136.2	176.9	62.9	-176.4	176.6	-166.4	0	109.9	M309 A362 V469 E470 T475	M309-K473 HydrophobicContact SD-CB 4.33Å; M309-K473 HydrophobicContact SD-CD 3.92Å; A362-K473 HydrophobicContact CB-CB 4.42Å; V469-K473 HydrophobicContact CG1-CB 4.38Å; V469-K473 WeakPolarHBondContact O-CA 3.43Å; V469-K473 WeakPolarHBondContact O-CB 3.38Å; V469-K473 PolarHBondContact O-N 3.02Å; E470-K473 WeakPolarHBondContact OE1-CE 3.21Å; E470-K473 IonicContact OE1-NZ 2.86Å; E470-K473 PolarHBondContact OE1-NZ 3.46Å; E470-K473 WeakPolarHBondContact OE2-CE 3.42Å; E470-K473 IonicContact OE2-NZ 2.76Å; E470-K473 PolarHBondContact OE2-NZ 3.33Å; K473-T475 PolarHBondContact O-N 3.5Å
474	F	96.4	Very high	97.6	Very high	51 Å²	51	41.8 Å²	41.8	22%	0.224	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	14.9	-177.8	-53.3	-48.6	0	0	0	115.3	K214 H251 P252 M309 W310 A362 Y472	K214-F474 WeakPolarHBondContact CD-O 3.07Å; H251-F474 HydrophobicContact CB-CD1 4.22Å; H251-F474 HydrophobicContact CB-CE1 3.64Å; H251-F474 HydrophobicContact CB-CZ 4.09Å; H251-F474 AromaticContact CG-CE1 3.8Å; H251-F474 AromaticContact CG-CZ 3.73Å; H251-F474 AromaticContact ND1-CE1 3.83Å; H251-F474 AromaticContact ND1-CE2 3.86Å; H251-F474 AromaticContact ND1-CZ 3.32Å; H251-F474 VanDerWaalsContact ND1-CZ 3.32Å; H251-F474 WeakPolarHBondContact ND1-CZ 3.43Å; P252-F474 HydrophobicContact CG-CB 3.59Å; P252-F474 HydrophobicContact CG-CD1 4.12Å; P252-F474 HydrophobicContact CG-CG 3.97Å; M309-F474 HydrophobicContact CB-CZ 4.34Å; M309-F474 HydrophobicContact SD-CE2 4.26Å; M309-F474 HydrophobicContact SD-CZ 3.91Å; W310-F474 AromaticContact CH2-CE1 4Å; W310-F474 HydrophobicContact CH2-CE1 4Å; W310-F474 HydrophobicContact CZ2-CE1 4.28Å; W310-F474 HydrophobicContact CZ3-CE1 4.46Å; A362-F474 WeakPolarHBondContact O-CA 3.44Å; A362-F474 PolarHBondContact O-N 3.34Å; Y472-F474 PolarHBondContact O-N 3.12Å
475	T	96.6	Very high	97.6	Very high	58 Å²	58	42.3 Å²	42.3	36%	0.356	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	174.7	170.2	76.8	0	0	0	0	111.2	K214 T364 Y472 K473	K214-T475 PolarHBondContact NZ-O 2.89Å; T364-T475 PolarHBondContact N-O 2.87Å; Y472-T475 PolarHBondContact O-N 2.98Å; Y472-T475 PolarHBondContact O-OG1 2.72Å; K473-T475 PolarHBondContact O-N 3.5Å
476	S	97.3	Very high	97.6	Very high	30 Å²	30	42.2 Å²	42.2	21%	0.21	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.3	169.8	-48.8	0	0	0	0	109.6	P211 T364	P211-S476 PolarHBondContact O-OG 2.91Å; T364-S476 CarbonylContact O-C 3.57Å; T364-S476 WeakPolarHBondContact O-CA 3.23Å
477	V	97.3	Very high	97.5	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	157.8	-166.5	-67.4	0	0	0	0	112.4	V363 T364 N365 A366 L373 Y468 Y472 D481	V363-V477 HydrophobicContact CG1-CG1 4.01Å; V363-V477 HydrophobicContact CG1-CG2 3.71Å; T364-V477 VanDerWaalsContact O-CG2 3.3Å; T364-V477 WeakPolarHBondContact O-CG2 3.38Å; T364-V477 PolarHBondContact O-N 3.45Å; N365-V477 CarbonylContact C-O 3.5Å; A366-V477 WeakPolarHBondContact CB-O 3.45Å; A366-V477 PolarHBondContact N-O 3.38Å; L373-V477 HydrophobicContact CD1-CG2 3.94Å; Y468-V477 WeakPolarHBondContact OH-CG2 3.42Å; Y472-V477 HydrophobicContact CD1-CG1 3.46Å; Y472-V477 VanDerWaalsContact CD1-CG1 3.46Å; Y472-V477 HydrophobicContact CD2-CG1 4.49Å; Y472-V477 HydrophobicContact CE1-CG1 3.99Å; Y472-V477 HydrophobicContact CG-CG1 3.74Å; V477-D481 WeakPolarHBondContact CA-OD2 3.29Å; V477-D481 HydrophobicContact CB-CB 4.06Å; V477-D481 HydrophobicContact CG1-CB 4.21Å
478	V	96.4	Very high	97.5	Very high	38 Å²	38	41.2 Å²	41.2	23%	0.23	21%	0.214	C	C	.	.			trans	-108.1	168.3	168.2	-65.2	0	0	0	0	110.7	A27 A366 E370 Q480 D481	A27-V478 HydrophobicContact CB-CG1 4.1Å; A366-V478 HydrophobicContact CB-CG1 3.98Å; E370-V478 HydrophobicContact CG-CB 4.47Å; E370-V478 HydrophobicContact CG-CG1 4.38Å; E370-V478 WeakPolarHBondContact OE1-CB 3.5Å; V478-Q480 HydrophobicContact CG2-CB 4.27Å; V478-Q480 PolarHBondContact O-N 3.42Å; V478-Q480 VanDerWaalsContact O-N 3.16Å; V478-D481 WeakPolarHBondContact CG2-OD2 3.28Å; V478-D481 PolarHBondContact N-OD2 2.89Å; V478-D481 WeakPolarHBondContact O-CB 3.22Å; V478-D481 PolarHBondContact O-N 3.22Å
479	A	96.3	Very high	97.4	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-55.1	-39.2	-177.4	0	0	0	0	0	112.1	E370 W372 D481 L482 L483 L510	E370-A479 PolarHBondContact OE1-N 3.47Å; E370-A479 WeakPolarHBondContact OE2-CB 3.03Å; W372-A479 HydrophobicContact CZ2-CB 3.75Å; A479-D481 VanDerWaalsContact C-N 3.26Å; A479-D481 PolarHBondContact O-N 3.3Å; A479-L482 PolarHBondContact O-N 3.42Å; A479-L482 VanDerWaalsContact O-N 3.16Å; A479-L483 WeakPolarHBondContact O-CG 3.43Å; A479-L483 PolarHBondContact O-N 2.86Å; A479-L483 VanDerWaalsContact O-N 3.09Å; A479-L510 HydrophobicContact CB-CD1 3.93Å; A479-L510 HydrophobicContact CB-CD2 4.3Å
480	Q	96.2	Very high	97.4	Very high	101 Å²	101	45 Å²	45	47%	0.472	23%	0.23	S	C	.	.	H	α-helix	trans	-59.9	-34.6	179.8	-164.6	62.8	44.9	0	0	112.7	V478 L482 L483 D484	V478-Q480 HydrophobicContact CG2-CB 4.27Å; V478-Q480 PolarHBondContact O-N 3.42Å; V478-Q480 VanDerWaalsContact O-N 3.16Å; Q480-L482 VanDerWaalsContact C-N 3.34Å; Q480-L482 PolarHBondContact O-N 2.96Å; Q480-L483 PolarHBondContact O-N 3.18Å; Q480-D484 PolarHBondContact NE2-OD1 2.91Å; Q480-D484 VanDerWaalsContact O-CB 3.28Å; Q480-D484 WeakPolarHBondContact O-CB 3.5Å; Q480-D484 PolarHBondContact O-N 2.78Å
481	D	97.7	Very high	97.3	Very high	51 Å²	51	42.7 Å²	42.7	27%	0.273	23%	0.226	S	C	.	.	H	α-helix	trans	-62	-42.6	177.8	-69.9	-53.4	0	0	0	111.6	Y472 V477 V478 A479 S485	Y472-D481 HydrophobicContact CE1-CB 4.09Å; Y472-D481 PolarHBondContact OH-O 3.06Å; V477-D481 WeakPolarHBondContact CA-OD2 3.29Å; V477-D481 HydrophobicContact CB-CB 4.06Å; V477-D481 HydrophobicContact CG1-CB 4.21Å; V478-D481 WeakPolarHBondContact CG2-OD2 3.28Å; V478-D481 PolarHBondContact N-OD2 2.89Å; V478-D481 WeakPolarHBondContact O-CB 3.22Å; V478-D481 PolarHBondContact O-N 3.22Å; A479-D481 VanDerWaalsContact C-N 3.26Å; A479-D481 PolarHBondContact O-N 3.3Å; D481-S485 WeakPolarHBondContact O-CB 3.42Å; D481-S485 PolarHBondContact O-N 3.18Å
482	L	98.1	Very high	97.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-48.9	176.3	178.3	71.1	0	0	0	110.7	W372 L373 L377 F464 Y468 A479 Q480 S485 F486	W372-L482 HydrophobicContact CH2-CD2 3.85Å; W372-L482 HydrophobicContact CZ3-CD2 4.34Å; L373-L482 HydrophobicContact CD2-CB 4.2Å; L373-L482 HydrophobicContact CD2-CD2 3.78Å; L377-L482 HydrophobicContact CD1-CD2 4.35Å; F464-L482 HydrophobicContact CE1-CD1 4.11Å; F464-L482 HydrophobicContact CZ-CD1 3.8Å; Y468-L482 HydrophobicContact CD1-CD1 4.18Å; Y468-L482 HydrophobicContact CD2-CD1 3.76Å; Y468-L482 HydrophobicContact CE1-CD1 3.96Å; Y468-L482 HydrophobicContact CE2-CB 4.01Å; Y468-L482 HydrophobicContact CE2-CD1 3.53Å; Y468-L482 HydrophobicContact CE2-CG 4.4Å; Y468-L482 HydrophobicContact CG-CD1 4.07Å; A479-L482 PolarHBondContact O-N 3.42Å; A479-L482 VanDerWaalsContact O-N 3.16Å; Q480-L482 VanDerWaalsContact C-N 3.34Å; Q480-L482 PolarHBondContact O-N 2.96Å; L482-S485 PolarHBondContact O-N 3.1Å; L482-F486 VanDerWaalsContact O-CB 3.32Å; L482-F486 WeakPolarHBondContact O-CB 3.3Å; L482-F486 PolarHBondContact O-N 3.08Å
483	L	97.9	Very high	97	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-66.3	-43.1	-176	-61	179.7	0	0	0	112.2	F447 L451 A479 Q480 F486 L487 F506 L510	F447-L483 HydrophobicContact CE1-CD2 4.24Å; F447-L483 HydrophobicContact CZ-CD2 3.83Å; L451-L483 HydrophobicContact CD1-CD2 4.44Å; A479-L483 WeakPolarHBondContact O-CG 3.43Å; A479-L483 PolarHBondContact O-N 2.86Å; A479-L483 VanDerWaalsContact O-N 3.09Å; Q480-L483 PolarHBondContact O-N 3.18Å; L483-F486 WeakPolarHBondContact O-CB 3.46Å; L483-F486 PolarHBondContact O-N 2.91Å; L483-L487 WeakPolarHBondContact O-CG 3.24Å; L483-L487 PolarHBondContact O-N 2.96Å; L483-F506 HydrophobicContact CB-CD2 4.4Å; L483-F506 HydrophobicContact CD1-CB 3.96Å; L483-F506 HydrophobicContact CD1-CD2 4.08Å; L483-F506 HydrophobicContact CD1-CG 4.41Å; L483-F506 HydrophobicContact CD2-CD2 3.73Å; L483-F506 HydrophobicContact CD2-CE2 4.11Å; L483-F506 HydrophobicContact CD2-CG 4.2Å; L483-F506 HydrophobicContact CG-CD2 4.27Å; L483-L510 HydrophobicContact CD1-CD1 4.22Å
484	D	97.5	Very high	96.9	Very high	77 Å²	77	41.1 Å²	41.1	41%	0.412	22%	0.221	S	C	.	.	H	α-helix	trans	-64.3	-43.3	174.8	-76.4	-14.1	0	0	0	110.8	Q480 F486 L487 S488	Q480-D484 PolarHBondContact NE2-OD1 2.91Å; Q480-D484 VanDerWaalsContact O-CB 3.28Å; Q480-D484 WeakPolarHBondContact O-CB 3.5Å; Q480-D484 PolarHBondContact O-N 2.78Å; D484-F486 VanDerWaalsContact C-N 3.3Å; D484-F486 PolarHBondContact O-N 3.01Å; D484-L487 PolarHBondContact O-N 3.37Å; D484-S488 VanDerWaalsContact O-CB 3.25Å; D484-S488 WeakPolarHBondContact O-CB 3.44Å; D484-S488 PolarHBondContact O-N 3.35Å; D484-S488 PolarHBondContact O-OG 2.83Å
485	S	98	Very high	96.8	Very high	12 Å²	12	46.5 Å²	46.5	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-38.5	176.6	-162.6	0	0	0	0	111.8	D481 L482 F489	D481-S485 WeakPolarHBondContact O-CB 3.42Å; D481-S485 PolarHBondContact O-N 3.18Å; L482-S485 PolarHBondContact O-N 3.1Å; S485-F489 VanDerWaalsContact O-CB 3.32Å; S485-F489 WeakPolarHBondContact O-CB 3.47Å; S485-F489 PolarHBondContact O-N 3.34Å
486	F	98.3	Very high	96.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-52.9	176.3	175.7	-99.8	0	0	0	111.4	L451 L454 C455 F461 F464 L482 L483 D484 S488 F489 F490 L493 F506	L451-F486 HydrophobicContact CB-CE2 4.08Å; L451-F486 HydrophobicContact CB-CZ 4.21Å; L451-F486 HydrophobicContact CD2-CD1 4.4Å; L451-F486 HydrophobicContact CD2-CE1 4.11Å; L451-F486 HydrophobicContact CD2-CZ 4.28Å; L454-F486 HydrophobicContact CB-CZ 4.41Å; C455-F486 VanDerWaalsContact SG-CE2 3.54Å; F461-F486 HydrophobicContact CD2-CE2 4.04Å; F461-F486 HydrophobicContact CE2-CD2 4.09Å; F461-F486 AromaticContact CE2-CE2 3.83Å; F461-F486 HydrophobicContact CE2-CE2 3.83Å; F464-F486 HydrophobicContact CD1-CD2 4.08Å; F464-F486 HydrophobicContact CE1-CB 4.3Å; F464-F486 AromaticContact CE1-CD2 3.88Å; F464-F486 HydrophobicContact CE1-CD2 3.88Å; F464-F486 VanDerWaalsContact CE2-CA 3.41Å; F464-F486 HydrophobicContact CE2-CB 3.96Å; F464-F486 HydrophobicContact CE2-CD2 4.47Å; F464-F486 HydrophobicContact CG-CD2 4.45Å; F464-F486 HydrophobicContact CZ-CB 3.68Å; F464-F486 HydrophobicContact CZ-CD2 4.08Å; F464-F486 HydrophobicContact CZ-CG 4.4Å; L482-F486 VanDerWaalsContact O-CB 3.32Å; L482-F486 WeakPolarHBondContact O-CB 3.3Å; L482-F486 PolarHBondContact O-N 3.08Å; L483-F486 WeakPolarHBondContact O-CB 3.46Å; L483-F486 PolarHBondContact O-N 2.91Å; D484-F486 VanDerWaalsContact C-N 3.3Å; D484-F486 PolarHBondContact O-N 3.01Å; F486-S488 VanDerWaalsContact C-N 3.29Å; F486-S488 PolarHBondContact O-N 3.16Å; F486-F489 PolarHBondContact O-N 2.84Å; F486-F489 VanDerWaalsContact O-N 3.1Å; F486-F490 AromaticContact CD2-CD2 3.69Å; F486-F490 HydrophobicContact CD2-CD2 3.69Å; F486-F490 AromaticContact CD2-CE2 3.77Å; F486-F490 HydrophobicContact CD2-CE2 3.77Å; F486-F490 AromaticContact CE2-CD2 3.56Å; F486-F490 HydrophobicContact CE2-CD2 3.56Å; F486-F490 AromaticContact CE2-CE2 3.61Å; F486-F490 HydrophobicContact CE2-CE2 3.61Å; F486-F490 HydrophobicContact CG-CD2 4.29Å; F486-F490 HydrophobicContact CZ-CD2 4.05Å; F486-F490 HydrophobicContact CZ-CE2 4.46Å; F486-F490 WeakPolarHBondContact O-CD2 3.37Å; F486-F490 PolarHBondContact O-N 2.84Å; F486-L493 HydrophobicContact CE1-CD1 3.85Å; F486-L493 HydrophobicContact CZ-CD1 3.61Å; F486-F506 HydrophobicContact CD1-CE2 4.38Å; F486-F506 HydrophobicContact CD1-CZ 4.32Å; F486-F506 HydrophobicContact CE1-CZ 4.12Å
487	L	97.7	Very high	96.4	Very high	12 Å²	12	51.8 Å²	51.8	6%	0.063	27%	0.271	C	S	.	.	H	α-helix	trans	-66.9	-29.8	180	-66.9	175.7	0	0	0	112.8	L483 D484 F490 K494 V498 D499 F506	L483-L487 WeakPolarHBondContact O-CG 3.24Å; L483-L487 PolarHBondContact O-N 2.96Å; D484-L487 PolarHBondContact O-N 3.37Å; L487-F490 CarbonylContact O-C 3.57Å; L487-K494 HydrophobicContact CB-CB 4.14Å; L487-K494 HydrophobicContact CB-CD 4.19Å; L487-K494 HydrophobicContact CB-CG 4.23Å; L487-K494 HydrophobicContact CD2-CB 4.34Å; L487-V498 HydrophobicContact CD2-CG2 4.07Å; L487-D499 HydrophobicContact CD1-CB 4.1Å; L487-F506 HydrophobicContact CD1-CE2 4.45Å; L487-F506 HydrophobicContact CD2-CE2 4.24Å; L487-F506 HydrophobicContact CG-CE2 4.38Å
488	S	97.4	Very high	96.2	Very high	86 Å²	86	52.2 Å²	52.2	60%	0.601	27%	0.274	S	S	*	.	H	α-helix	trans	-71.5	-33.2	171.7	-82.3	0	0	0	0	113	D484 F486	D484-S488 VanDerWaalsContact O-CB 3.25Å; D484-S488 WeakPolarHBondContact O-CB 3.44Å; D484-S488 PolarHBondContact O-N 3.35Å; D484-S488 PolarHBondContact O-OG 2.83Å; F486-S488 VanDerWaalsContact C-N 3.29Å; F486-S488 PolarHBondContact O-N 3.16Å
489	F	97.6	Very high	96	Very high	83 Å²	83	52.7 Å²	52.7	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-76.3	-31.4	177.4	-165.1	-86.2	0	0	0	112.1	D463 F464 A467 S485 F486 P491	D463-F489 HydrophobicContact CB-CZ 4.3Å; F464-F489 HydrophobicContact CB-CD1 3.74Å; F464-F489 HydrophobicContact CB-CE1 3.79Å; F464-F489 HydrophobicContact CB-CG 4.15Å; F464-F489 HydrophobicContact CB-CZ 4.27Å; F464-F489 HydrophobicContact CD2-CB 3.78Å; F464-F489 HydrophobicContact CD2-CD1 4.25Å; F464-F489 HydrophobicContact CD2-CD2 4.29Å; F464-F489 AromaticContact CD2-CG 3.86Å; F464-F489 HydrophobicContact CD2-CG 3.86Å; F464-F489 HydrophobicContact CE2-CB 4.44Å; F464-F489 HydrophobicContact CG-CD1 4.44Å; F464-F489 HydrophobicContact CG-CG 4.48Å; A467-F489 HydrophobicContact CB-CD2 4.1Å; A467-F489 HydrophobicContact CB-CE2 3.64Å; S485-F489 VanDerWaalsContact O-CB 3.32Å; S485-F489 WeakPolarHBondContact O-CB 3.47Å; S485-F489 PolarHBondContact O-N 3.34Å; F486-F489 PolarHBondContact O-N 2.84Å; F486-F489 VanDerWaalsContact O-N 3.1Å; F489-P491 VanDerWaalsContact O-CD 3.28Å; F489-P491 WeakPolarHBondContact O-CD 3.36Å
490	F	97.3	Very high	95.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.302	C	S	.	.			trans	-115.8	74.8	177.5	-59.6	-73.5	0	0	0	111.4	C455 R460 F464 F486 L487 E492 L493 K494	C455-F490 HydrophobicContact CB-CE1 4.27Å; C455-F490 HydrophobicContact CB-CZ 4.24Å; C455-F490 WeakPolarHBondContact SG-CE2 3.49Å; C455-F490 WeakPolarHBondContact SG-CZ 3.25Å; R460-F490 HydrophobicContact CB-CE1 4.14Å; R460-F490 HydrophobicContact CB-CZ 4.45Å; F464-F490 HydrophobicContact CB-CE2 3.66Å; F464-F490 HydrophobicContact CB-CZ 3.82Å; F464-F490 HydrophobicContact CD1-CE2 4.47Å; F464-F490 HydrophobicContact CD2-CE2 4.36Å; F464-F490 AromaticContact CG-CE2 3.9Å; F464-F490 HydrophobicContact CG-CE2 3.9Å; F486-F490 AromaticContact CD2-CD2 3.69Å; F486-F490 HydrophobicContact CD2-CD2 3.69Å; F486-F490 AromaticContact CD2-CE2 3.77Å; F486-F490 HydrophobicContact CD2-CE2 3.77Å; F486-F490 AromaticContact CE2-CD2 3.56Å; F486-F490 HydrophobicContact CE2-CD2 3.56Å; F486-F490 AromaticContact CE2-CE2 3.61Å; F486-F490 HydrophobicContact CE2-CE2 3.61Å; F486-F490 HydrophobicContact CG-CD2 4.29Å; F486-F490 HydrophobicContact CZ-CD2 4.05Å; F486-F490 HydrophobicContact CZ-CE2 4.46Å; F486-F490 WeakPolarHBondContact O-CD2 3.37Å; F486-F490 PolarHBondContact O-N 2.84Å; L487-F490 CarbonylContact O-C 3.57Å; F490-E492 PolarHBondContact O-N 2.84Å; F490-E492 VanDerWaalsContact O-N 3.16Å; F490-L493 HydrophobicContact CB-CB 4.1Å; F490-L493 HydrophobicContact CB-CD1 3.73Å; F490-L493 HydrophobicContact CB-CG 3.87Å; F490-L493 HydrophobicContact CD2-CD1 4.44Å; F490-L493 HydrophobicContact CG-CD1 4.08Å; F490-L493 WeakPolarHBondContact O-CB 3.35Å; F490-L493 PolarHBondContact O-N 2.83Å; F490-K494 PolarHBondContact O-N 2.94Å
491	P	95.7	Very high	95.3	Very high	70 Å²	70	58.5 Å²	58.5	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-58.3	-31.3	-176.6	24.5	-34.7	0	0	0	112.9	F489 L493 K494 E495	F489-P491 VanDerWaalsContact O-CD 3.28Å; F489-P491 WeakPolarHBondContact O-CD 3.36Å; P491-L493 VanDerWaalsContact C-N 3.29Å; P491-L493 PolarHBondContact O-N 2.88Å; P491-K494 WeakPolarHBondContact O-CB 3.29Å; P491-K494 PolarHBondContact O-N 3.49Å; P491-E495 WeakPolarHBondContact O-CG 3.43Å; P491-E495 PolarHBondContact O-N 2.81Å
492	E	95.6	Very high	95	Very high	60 Å²	60	60.3 Å²	60.3	28%	0.28	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-34.2	176.3	67.9	-84.6	-156.3	0	0	113	R460 F490 Q496	R460-E492 IonicContact CZ-OE1 3.36Å; R460-E492 IonicContact NH1-OE1 3.06Å; R460-E492 PolarHBondContact NH1-OE1 2.94Å; R460-E492 IonicContact NH2-OE1 2.71Å; R460-E492 PolarHBondContact NH2-OE1 2.97Å; F490-E492 PolarHBondContact O-N 2.84Å; F490-E492 VanDerWaalsContact O-N 3.16Å; E492-Q496 VanDerWaalsContact O-CG 3.25Å; E492-Q496 WeakPolarHBondContact O-CG 3.42Å; E492-Q496 PolarHBondContact O-N 3.08Å
493	L	95.3	Very high	94.4	Very high	11 Å²	11	61.6 Å²	61.6	6%	0.058	34%	0.34	C	S	.	.	H	α-helix	trans	-75.6	-35.3	177.1	-63.4	-175.7	0	0	0	110.8	L454 F486 F490 P491 Q496 S497 V498	L454-L493 HydrophobicContact CB-CD1 4.02Å; L454-L493 WeakPolarHBondContact O-CD2 3.34Å; F486-L493 HydrophobicContact CE1-CD1 3.85Å; F486-L493 HydrophobicContact CZ-CD1 3.61Å; F490-L493 HydrophobicContact CB-CB 4.1Å; F490-L493 HydrophobicContact CB-CD1 3.73Å; F490-L493 HydrophobicContact CB-CG 3.87Å; F490-L493 HydrophobicContact CD2-CD1 4.44Å; F490-L493 HydrophobicContact CG-CD1 4.08Å; F490-L493 WeakPolarHBondContact O-CB 3.35Å; F490-L493 PolarHBondContact O-N 2.83Å; P491-L493 VanDerWaalsContact C-N 3.29Å; P491-L493 PolarHBondContact O-N 2.88Å; L493-Q496 PolarHBondContact O-N 3.33Å; L493-S497 PolarHBondContact O-N 3.01Å; L493-V498 HydrophobicContact CB-CG1 4.31Å; L493-V498 HydrophobicContact CB-CG2 3.85Å; L493-V498 HydrophobicContact CD2-CG1 4.18Å; L493-V498 PolarHBondContact O-N 2.82Å
494	K	93.6	Very high	93.9	Very high	112 Å²	112	63.1 Å²	63.1	49%	0.487	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-43.5	174.1	-170.3	175.1	-174.5	166.2	0	112.1	L487 F490 P491 Q496 S497	L487-K494 HydrophobicContact CB-CB 4.14Å; L487-K494 HydrophobicContact CB-CD 4.19Å; L487-K494 HydrophobicContact CB-CG 4.23Å; L487-K494 HydrophobicContact CD2-CB 4.34Å; F490-K494 PolarHBondContact O-N 2.94Å; P491-K494 WeakPolarHBondContact O-CB 3.29Å; P491-K494 PolarHBondContact O-N 3.49Å; K494-Q496 PolarHBondContact O-N 2.98Å; K494-S497 PolarHBondContact O-N 2.69Å
495	E	94.6	Very high	93.8	Very high	164 Å²	164	62 Å²	62	77%	0.766	34%	0.34	S	S	*	.	H	α-helix	trans	-62.4	-31.1	175.3	-73.9	175.8	-173.7	0	0	112.6	P491 S497	P491-E495 WeakPolarHBondContact O-CG 3.43Å; P491-E495 PolarHBondContact O-N 2.81Å; E495-S497 VanDerWaalsContact C-N 3.29Å
496	Q	93.3	Very high	93.7	Very high	134 Å²	134	61.8 Å²	61.8	63%	0.626	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-5	175	-69.2	171.6	24.9	0	0	113.7	E492 L493 K494 V498	E492-Q496 VanDerWaalsContact O-CG 3.25Å; E492-Q496 WeakPolarHBondContact O-CG 3.42Å; E492-Q496 PolarHBondContact O-N 3.08Å; L493-Q496 PolarHBondContact O-N 3.33Å; K494-Q496 PolarHBondContact O-N 2.98Å; Q496-V498 VanDerWaalsContact C-N 3.28Å; Q496-V498 HydrophobicContact CB-CG1 4.03Å; Q496-V498 PolarHBondContact O-N 3.16Å
497	S	92.6	Very high	93.6	Very high	64 Å²	64	67.6 Å²	67.6	45%	0.448	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	43.6	-178.8	-54	0	0	0	0	113	L493 K494 E495 D499 C500 R501	L493-S497 PolarHBondContact O-N 3.01Å; K494-S497 PolarHBondContact O-N 2.69Å; E495-S497 VanDerWaalsContact C-N 3.29Å; S497-D499 VanDerWaalsContact CA-OD1 3.29Å; S497-D499 WeakPolarHBondContact CA-OD1 3.24Å; S497-D499 PolarHBondContact O-N 3.24Å; S497-C500 PolarHBondContact O-N 3.26Å; S497-R501 PolarHBondContact O-N 3.48Å
498	V	92.8	Very high	93.5	Very high	10 Å²	10	72.6 Å²	72.6	6%	0.061	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-61.6	-24.6	-177.8	-61.8	0	0	0	0	113.2	L454 L487 L493 Q496 C500 R501 F506	L454-V498 HydrophobicContact CD1-CB 4.32Å; L454-V498 HydrophobicContact CD1-CG2 4.12Å; L487-V498 HydrophobicContact CD2-CG2 4.07Å; L493-V498 HydrophobicContact CB-CG1 4.31Å; L493-V498 HydrophobicContact CB-CG2 3.85Å; L493-V498 HydrophobicContact CD2-CG1 4.18Å; L493-V498 PolarHBondContact O-N 2.82Å; Q496-V498 VanDerWaalsContact C-N 3.28Å; Q496-V498 HydrophobicContact CB-CG1 4.03Å; Q496-V498 PolarHBondContact O-N 3.16Å; V498-C500 PolarHBondContact O-N 3.14Å; V498-R501 WeakPolarHBondContact O-CB 3.47Å; V498-R501 PolarHBondContact O-N 3.2Å; V498-F506 HydrophobicContact CG2-CZ 4.1Å
499	D	92.1	Very high	93.5	Very high	49 Å²	49	68.5 Å²	68.5	26%	0.262	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-64.7	-27.8	174.6	59.4	-53.1	0	0	0	112.8	L487 S497 E505 F506	L487-D499 HydrophobicContact CD1-CB 4.1Å; S497-D499 VanDerWaalsContact CA-OD1 3.29Å; S497-D499 WeakPolarHBondContact CA-OD1 3.24Å; S497-D499 PolarHBondContact O-N 3.24Å; D499-E505 VanDerWaalsContact O-CA 3.28Å; D499-E505 WeakPolarHBondContact O-CA 3.4Å; D499-F506 HydrophobicContact CB-CD2 3.5Å; D499-F506 HydrophobicContact CB-CE2 3.67Å; D499-F506 HydrophobicContact CB-CG 4.06Å; D499-F506 HydrophobicContact CB-CZ 4.34Å; D499-F506 PolarHBondContact O-N 2.93Å
500	C	91.3	Very high	93.4	Very high	86 Å²	86	64.9 Å²	64.9	58%	0.581	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-106.6	14.3	178.7	-62.8	0	0	0	0	112.8	S497 V498 A502	S497-C500 PolarHBondContact O-N 3.26Å; V498-C500 PolarHBondContact O-N 3.14Å; C500-A502 PolarHBondContact O-N 3.41Å
501	R	87.9	Confident	93.3	Very high	139 Å²	139	66.8 Å²	66.8	53%	0.525	35%	0.349	S	S	.	.			trans	-65.5	121.3	-177.3	-177.3	178.5	179.7	177.8	0.3	110.6	S497 V498 G503 L504 E505	S497-R501 PolarHBondContact O-N 3.48Å; V498-R501 WeakPolarHBondContact O-CB 3.47Å; V498-R501 PolarHBondContact O-N 3.2Å; R501-G503 PolarHBondContact O-N 2.95Å; R501-G503 VanDerWaalsContact O-N 3.11Å; R501-L504 CarbonylContact O-C 3.39Å; R501-L504 PolarHBondContact O-N 3.36Å; R501-E505 VanDerWaalsContact O-CD 3.32Å; R501-E505 WeakPolarHBondContact O-CG 3.42Å; R501-E505 PolarHBondContact O-N 2.82Å
502	A	89.6	Confident	93.3	Very high	90 Å²	90	64.7 Å²	64.7	74%	0.744	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	118	-179.7	0	0	0	0	0	112.2	C500 E505	C500-A502 PolarHBondContact O-N 3.41Å; A502-E505 VanDerWaalsContact CA-OE1 3.23Å; A502-E505 WeakPolarHBondContact CA-OE1 3.38Å
503	G	85.9	Confident	93.2	Very high	28 Å²	28	64.1 Å²	64.1	29%	0.289	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-16.3	177.7	0	0	0	0	0	116.1	R501 E505 R508	R501-G503 PolarHBondContact O-N 2.95Å; R501-G503 VanDerWaalsContact O-N 3.11Å; G503-E505 VanDerWaalsContact C-OE2 3.29Å; G503-E505 WeakPolarHBondContact CA-OE2 3.48Å; G503-E505 VanDerWaalsContact N-CD 3.26Å; G503-E505 PolarHBondContact N-OE1 3.21Å; G503-E505 PolarHBondContact N-OE2 2.97Å; G503-R508 PolarHBondContact O-NH1 3.09Å; G503-R508 VanDerWaalsContact O-NH1 3.12Å
504	L	87.6	Confident	93	Very high	38 Å²	38	63.7 Å²	63.7	20%	0.199	34%	0.337	C	S	.	.			trans	-134.1	28.7	-177.2	-65.4	172.6	0	0	0	111.7	Y450 R501 L517	Y450-L504 HydrophobicContact CE1-CB 4.48Å; Y450-L504 HydrophobicContact CE2-CB 4.49Å; Y450-L504 HydrophobicContact CE2-CD1 3.91Å; Y450-L504 WeakPolarHBondContact OH-CB 3.29Å; R501-L504 CarbonylContact O-C 3.39Å; R501-L504 PolarHBondContact O-N 3.36Å; L504-L517 HydrophobicContact CD2-CB 3.72Å
505	E	95.3	Very high	93	Very high	55 Å²	55	60.9 Å²	60.9	26%	0.257	33%	0.33	S	S	.	.			trans	-59.8	140.6	179.7	-54.3	83.9	172.2	0	0	109.9	D499 R501 A502 G503 E507 R508 W509	D499-E505 VanDerWaalsContact O-CA 3.28Å; D499-E505 WeakPolarHBondContact O-CA 3.4Å; R501-E505 VanDerWaalsContact O-CD 3.32Å; R501-E505 WeakPolarHBondContact O-CG 3.42Å; R501-E505 PolarHBondContact O-N 2.82Å; A502-E505 VanDerWaalsContact CA-OE1 3.23Å; A502-E505 WeakPolarHBondContact CA-OE1 3.38Å; G503-E505 VanDerWaalsContact C-OE2 3.29Å; G503-E505 WeakPolarHBondContact CA-OE2 3.48Å; G503-E505 VanDerWaalsContact N-CD 3.26Å; G503-E505 PolarHBondContact N-OE1 3.21Å; G503-E505 PolarHBondContact N-OE2 2.97Å; E505-E507 PolarHBondContact O-N 3.29Å; E505-R508 HydrophobicContact CB-CB 4.07Å; E505-R508 WeakPolarHBondContact O-CA 3.32Å; E505-R508 WeakPolarHBondContact O-CB 3.15Å; E505-R508 PolarHBondContact O-N 3.06Å; E505-R508 WeakPolarHBondContact OE2-CD 3.45Å; E505-W509 PolarHBondContact O-N 2.92Å
506	F	96.3	Very high	93	Very high	7 Å²	7	53.6 Å²	53.6	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-39.2	179.3	-66.7	-9.7	0	0	0	111.3	F447 Y450 L451 L454 L483 F486 L487 V498 D499 R508 W509 L510	F447-F506 AromaticContact CE2-CD1 3.97Å; F447-F506 HydrophobicContact CE2-CD1 3.97Å; F447-F506 HydrophobicContact CE2-CE1 4.47Å; F447-F506 HydrophobicContact CE2-CG 4.49Å; F447-F506 HydrophobicContact CZ-CB 4.28Å; F447-F506 HydrophobicContact CZ-CD1 4.21Å; F447-F506 HydrophobicContact CZ-CG 4.28Å; Y450-F506 HydrophobicContact CE1-CD1 4.43Å; Y450-F506 HydrophobicContact CE1-CE1 4.04Å; L451-F506 HydrophobicContact CD2-CD1 4.33Å; L451-F506 HydrophobicContact CD2-CE1 3.57Å; L451-F506 HydrophobicContact CD2-CE2 4.32Å; L451-F506 HydrophobicContact CD2-CZ 3.55Å; L454-F506 HydrophobicContact CD1-CE1 3.95Å; L454-F506 HydrophobicContact CD1-CZ 4.12Å; L483-F506 HydrophobicContact CB-CD2 4.4Å; L483-F506 HydrophobicContact CD1-CB 3.96Å; L483-F506 HydrophobicContact CD1-CD2 4.08Å; L483-F506 HydrophobicContact CD1-CG 4.41Å; L483-F506 HydrophobicContact CD2-CD2 3.73Å; L483-F506 HydrophobicContact CD2-CE2 4.11Å; L483-F506 HydrophobicContact CD2-CG 4.2Å; L483-F506 HydrophobicContact CG-CD2 4.27Å; F486-F506 HydrophobicContact CD1-CE2 4.38Å; F486-F506 HydrophobicContact CD1-CZ 4.32Å; F486-F506 HydrophobicContact CE1-CZ 4.12Å; L487-F506 HydrophobicContact CD1-CE2 4.45Å; L487-F506 HydrophobicContact CD2-CE2 4.24Å; L487-F506 HydrophobicContact CG-CE2 4.38Å; V498-F506 HydrophobicContact CG2-CZ 4.1Å; D499-F506 HydrophobicContact CB-CD2 3.5Å; D499-F506 HydrophobicContact CB-CE2 3.67Å; D499-F506 HydrophobicContact CB-CG 4.06Å; D499-F506 HydrophobicContact CB-CZ 4.34Å; D499-F506 PolarHBondContact O-N 2.93Å; F506-R508 PolarHBondContact O-N 2.98Å; F506-W509 WeakPolarHBondContact O-CB 3.37Å; F506-W509 PolarHBondContact O-N 3.44Å; F506-W509 VanDerWaalsContact O-N 3.16Å; F506-L510 WeakPolarHBondContact O-CG 3.3Å; F506-L510 PolarHBondContact O-N 3.3Å; F506-L510 VanDerWaalsContact O-N 3.09Å
507	E	95.8	Very high	93.1	Very high	121 Å²	121	49.4 Å²	49.4	57%	0.565	28%	0.278	S	S	*	.	H	α-helix	trans	-59	-37.3	174.3	-178	57.2	-159.1	0	0	112.4	E505 L510 N511	E505-E507 PolarHBondContact O-N 3.29Å; E507-L510 PolarHBondContact O-N 3.46Å; E507-N511 VanDerWaalsContact CD-ND2 3.3Å; E507-N511 WeakPolarHBondContact O-CB 3.37Å; E507-N511 PolarHBondContact O-N 2.99Å; E507-N511 PolarHBondContact OE1-ND2 2.8Å
508	R	95.8	Very high	93.3	Very high	118 Å²	118	48 Å²	48	45%	0.445	27%	0.271	S	S	.	.	H	α-helix	trans	-70	-39.6	177.4	-169.1	-177	172.5	-174.9	-4.2	111.3	G503 E505 F506 L510 N511 A512 L517	G503-R508 PolarHBondContact O-NH1 3.09Å; G503-R508 VanDerWaalsContact O-NH1 3.12Å; E505-R508 HydrophobicContact CB-CB 4.07Å; E505-R508 WeakPolarHBondContact O-CA 3.32Å; E505-R508 WeakPolarHBondContact O-CB 3.15Å; E505-R508 PolarHBondContact O-N 3.06Å; E505-R508 WeakPolarHBondContact OE2-CD 3.45Å; F506-R508 PolarHBondContact O-N 2.98Å; R508-L510 VanDerWaalsContact C-N 3.26Å; R508-L510 PolarHBondContact O-N 3.43Å; R508-N511 PolarHBondContact O-N 3.44Å; R508-A512 HydrophobicContact CG-CB 3.78Å; R508-A512 WeakPolarHBondContact O-CB 3.47Å; R508-A512 PolarHBondContact O-N 3.14Å; R508-L517 HydrophobicContact CB-CD1 4.09Å; R508-L517 HydrophobicContact CG-CD1 3.86Å; R508-L517 HydrophobicContact CG-CD2 4.46Å
509	W	96.8	Very high	93.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-56.4	-43.1	172.5	-85.2	103	0	0	0	112.1	L422 C446 F447 Y450 E505 F506 P516 L517 A518	L422-W509 WeakPolarHBondContact CD1-O 3.43Å; C446-W509 HydrophobicContact CB-CH2 4.25Å; C446-W509 HydrophobicContact CB-CZ3 4.14Å; F447-W509 HydrophobicContact CB-CD2 4.1Å; F447-W509 HydrophobicContact CB-CE3 3.62Å; F447-W509 HydrophobicContact CB-CZ3 3.93Å; F447-W509 HydrophobicContact CD1-CB 4.32Å; F447-W509 HydrophobicContact CD2-CB 3.68Å; F447-W509 AromaticContact CD2-CD1 3.76Å; F447-W509 AromaticContact CD2-CD2 3.48Å; F447-W509 HydrophobicContact CD2-CD2 3.48Å; F447-W509 VanDerWaalsContact CD2-CD2 3.48Å; F447-W509 AromaticContact CD2-CE2 3.91Å; F447-W509 AromaticContact CD2-CE3 3.95Å; F447-W509 HydrophobicContact CD2-CE3 3.95Å; F447-W509 AromaticContact CD2-CG 3.37Å; F447-W509 HydrophobicContact CD2-CG 3.37Å; F447-W509 HydrophobicContact CE1-CB 4.33Å; F447-W509 HydrophobicContact CE2-CB 3.71Å; F447-W509 AromaticContact CE2-CD1 3.7Å; F447-W509 HydrophobicContact CE2-CD2 4.2Å; F447-W509 AromaticContact CE2-CG 3.6Å; F447-W509 HydrophobicContact CE2-CG 3.6Å; F447-W509 HydrophobicContact CG-CB 4.01Å; F447-W509 HydrophobicContact CG-CD2 4.01Å; F447-W509 HydrophobicContact CG-CE3 4.01Å; F447-W509 HydrophobicContact CG-CG 4.05Å; F447-W509 HydrophobicContact CZ-CB 4.04Å; F447-W509 HydrophobicContact CZ-CG 4.41Å; Y450-W509 AromaticContact CD1-CE2 3.74Å; Y450-W509 AromaticContact CD1-CZ2 3.92Å; Y450-W509 HydrophobicContact CD1-CZ2 3.92Å; Y450-W509 AromaticContact CD1-NE1 3.32Å; Y450-W509 VanDerWaalsContact CD1-NE1 3.32Å; Y450-W509 HydrophobicContact CD2-CZ2 4.42Å; Y450-W509 AromaticContact CE1-NE1 3.4Å; Y450-W509 AromaticContact CG-CZ2 3.77Å; Y450-W509 HydrophobicContact CG-CZ2 3.77Å; E505-W509 PolarHBondContact O-N 2.92Å; F506-W509 WeakPolarHBondContact O-CB 3.37Å; F506-W509 PolarHBondContact O-N 3.44Å; F506-W509 VanDerWaalsContact O-N 3.16Å; W509-P516 HydrophobicContact CH2-CB 4.36Å; W509-P516 HydrophobicContact CZ3-CB 4.08Å; W509-L517 HydrophobicContact CD2-CB 4.18Å; W509-L517 HydrophobicContact CD2-CD1 3.95Å; W509-L517 HydrophobicContact CD2-CG 4.11Å; W509-L517 HydrophobicContact CE3-CB 4.47Å; W509-L517 HydrophobicContact CE3-CG 4.38Å; W509-L517 HydrophobicContact CG-CD1 3.85Å; W509-L517 HydrophobicContact CG-CG 4.49Å; W509-L517 HydrophobicContact CH2-CB 4.1Å; W509-L517 HydrophobicContact CZ2-CB 3.73Å; W509-L517 HydrophobicContact CZ3-CB 4.44Å; W509-A518 HydrophobicContact CH2-CB 4.15Å; W509-A518 VanDerWaalsContact CH2-N 3.32Å; W509-A518 WeakPolarHBondContact CH2-O 3.43Å; W509-A518 HydrophobicContact CZ2-CB 3.93Å
510	L	96.4	Very high	93.6	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-70.5	-45.7	-178.4	-63.3	179.2	0	0	0	112.3	W372 L422 Q423 F447 A479 L483 F506 E507 R508	W372-L510 HydrophobicContact CH2-CD2 4.23Å; W372-L510 HydrophobicContact CZ2-CD2 3.48Å; W372-L510 VanDerWaalsContact CZ2-CD2 3.48Å; L422-L510 PolarHBondContact N-O 2.8Å; L422-L510 VanDerWaalsContact N-O 3.08Å; Q423-L510 HydrophobicContact CB-CB 4.28Å; Q423-L510 PolarHBondContact N-O 3.34Å; F447-L510 HydrophobicContact CD1-CD2 4.38Å; F447-L510 HydrophobicContact CE1-CD2 3.89Å; A479-L510 HydrophobicContact CB-CD1 3.93Å; A479-L510 HydrophobicContact CB-CD2 4.3Å; L483-L510 HydrophobicContact CD1-CD1 4.22Å; F506-L510 WeakPolarHBondContact O-CG 3.3Å; F506-L510 PolarHBondContact O-N 3.3Å; F506-L510 VanDerWaalsContact O-N 3.09Å; E507-L510 PolarHBondContact O-N 3.46Å; R508-L510 VanDerWaalsContact C-N 3.26Å; R508-L510 PolarHBondContact O-N 3.43Å
511	N	95.1	Very high	93.9	Very high	40 Å²	40	50.7 Å²	50.7	21%	0.214	28%	0.277	C	S	.	.	H	α-helix	trans	-113	-8.9	-162.4	-72.2	-59.6	0	0	0	115.8	K421 Q423 E507 R508	K421-N511 VanDerWaalsContact CD-O 3.25Å; K421-N511 WeakPolarHBondContact CD-O 3.46Å; K421-N511 WeakPolarHBondContact CE-O 3.49Å; K421-N511 WeakPolarHBondContact CG-O 3.22Å; Q423-N511 PolarHBondContact O-OD1 2.64Å; E507-N511 VanDerWaalsContact CD-ND2 3.3Å; E507-N511 WeakPolarHBondContact O-CB 3.37Å; E507-N511 PolarHBondContact O-N 2.99Å; E507-N511 PolarHBondContact OE1-ND2 2.8Å; R508-N511 PolarHBondContact O-N 3.44Å
512	A	94.8	Very high	94.3	Very high	26 Å²	26	46.1 Å²	46.1	22%	0.215	26%	0.262	C	S	.	.			trans	-78.6	137.6	175.5	0	0	0	0	0	111.9	K443 R508	K443-A512 PolarHBondContact NZ-O 3.46Å; R508-A512 HydrophobicContact CG-CB 3.78Å; R508-A512 WeakPolarHBondContact O-CB 3.47Å; R508-A512 PolarHBondContact O-N 3.14Å
513	T	94.9	Very high	94.6	Very high	47 Å²	47	44.7 Å²	44.7	29%	0.288	25%	0.247	S	C	.	.			trans	-73.4	176.1	169.1	56.6	0	0	0	0	110.9	E415 S417 S420 K421	E415-T513 CarbonylContact O-C 3.37Å; E415-T513 VanDerWaalsContact O-CB 3.24Å; E415-T513 WeakPolarHBondContact O-CB 3.4Å; E415-T513 PolarHBondContact O-OG1 2.96Å; S417-T513 WeakPolarHBondContact O-CG2 3.44Å; S420-T513 VanDerWaalsContact OG-CA 3.29Å; S420-T513 WeakPolarHBondContact OG-CA 3.17Å; K421-T513 HydrophobicContact CD-CG2 4.36Å; K421-T513 HydrophobicContact CG-CG2 3.85Å
514	G	91.4	Very high	95.2	Very high	3 Å²	3	49.7 Å²	49.7	3%	0.031	26%	0.263	C	S	.	.	S	Bend	trans	78.9	-160.1	178.4	0	0	0	0	0	114.5	E415 S420 K443	E415-G514 VanDerWaalsContact O-CA 3.25Å; E415-G514 WeakPolarHBondContact O-CA 3.33Å; E415-G514 PolarHBondContact O-N 3.13Å; S420-G514 PolarHBondContact OG-N 3.09Å; K443-G514 PolarHBondContact NZ-O 2.82Å
515	P	93.1	Very high	95.7	Very high	52 Å²	52	47.9 Å²	47.9	34%	0.338	25%	0.254	S	S	.	.	S	Bend	trans	-67.1	168.6	-170.5	25.8	-32.8	0	0	0	113	M410	M410-P515 HydrophobicContact CE-CB 3.95Å; M410-P515 HydrophobicContact CE-CG 4.39Å; M410-P515 VanDerWaalsContact SD-CA 3.55Å; M410-P515 HydrophobicContact SD-CB 3.65Å; M410-P515 VanDerWaalsContact SD-CD 3.51Å; M410-P515 HydrophobicContact SD-CG 4.09Å
516	P	95.3	Very high	95.7	Very high	11 Å²	11	46.5 Å²	46.5	7%	0.071	25%	0.25	C	S	.	.			trans	-53.2	143	163.7	-20.9	32.5	0	0	0	111.2	L406 K443 C446 W509 A518 E519	L406-P516 HydrophobicContact CD2-CG 3.82Å; K443-P516 HydrophobicContact CB-CG 4.27Å; K443-P516 HydrophobicContact CG-CB 4.33Å; K443-P516 HydrophobicContact CG-CG 4.12Å; C446-P516 HydrophobicContact CB-CB 3.71Å; C446-P516 HydrophobicContact CB-CG 4.13Å; W509-P516 HydrophobicContact CH2-CB 4.36Å; W509-P516 HydrophobicContact CZ3-CB 4.08Å; P516-A518 WeakPolarHBondContact CB-O 3.44Å; P516-A518 PolarHBondContact O-N 3.46Å; P516-E519 HydrophobicContact CB-CG 4.27Å; P516-E519 HydrophobicContact CG-CG 4.41Å
517	L	95.3	Very high	95.7	Very high	47 Å²	47	50.3 Å²	50.3	25%	0.246	28%	0.277	C	S	.	.	S	Bend	trans	-72.9	-21.6	178.5	-55.8	179.2	0	0	0	112.4	L504 R508 W509	L504-L517 HydrophobicContact CD2-CB 3.72Å; R508-L517 HydrophobicContact CB-CD1 4.09Å; R508-L517 HydrophobicContact CG-CD1 3.86Å; R508-L517 HydrophobicContact CG-CD2 4.46Å; W509-L517 HydrophobicContact CD2-CB 4.18Å; W509-L517 HydrophobicContact CD2-CD1 3.95Å; W509-L517 HydrophobicContact CD2-CG 4.11Å; W509-L517 HydrophobicContact CE3-CB 4.47Å; W509-L517 HydrophobicContact CE3-CG 4.38Å; W509-L517 HydrophobicContact CG-CD1 3.85Å; W509-L517 HydrophobicContact CG-CG 4.49Å; W509-L517 HydrophobicContact CH2-CB 4.1Å; W509-L517 HydrophobicContact CZ2-CB 3.73Å; W509-L517 HydrophobicContact CZ3-CB 4.44Å
518	A	95.4	Very high	95.8	Very high	35 Å²	35	45.9 Å²	45.9	29%	0.289	26%	0.258	S	S	.	.	S	Bend	trans	-147.4	147.8	172.1	0	0	0	0	0	109.6	W509 P516	W509-A518 HydrophobicContact CH2-CB 4.15Å; W509-A518 VanDerWaalsContact CH2-N 3.32Å; W509-A518 WeakPolarHBondContact CH2-O 3.43Å; W509-A518 HydrophobicContact CZ2-CB 3.93Å; P516-A518 WeakPolarHBondContact CB-O 3.44Å; P516-A518 PolarHBondContact O-N 3.46Å
519	E	96.4	Very high	95.8	Very high	85 Å²	85	41.8 Å²	41.8	40%	0.397	25%	0.246	S	C	.	.			trans	-117	154.8	176.6	-73.9	-177.2	-169.7	0	0	110.4	H407 P516	H407-E519 IonicContact CD2-OE1 3.8Å; H407-E519 IonicContact CE1-OE1 3.27Å; H407-E519 PolarHBondContact CE1-OE1 2.87Å; H407-E519 IonicContact CE1-OE2 3.48Å; H407-E519 IonicContact NE2-OE1 3.91Å; H407-E519 PolarHBondContact NE2-OE1 3.31Å; H407-E519 IonicContact NE2-OE2 2.84Å; P516-E519 HydrophobicContact CB-CG 4.27Å; P516-E519 HydrophobicContact CG-CG 4.41Å
520	P	96.2	Very high	95.8	Very high	12 Å²	12	50.2 Å²	50.2	8%	0.078	28%	0.277	C	S	.	.			trans	-64.9	153.6	179.5	31.6	-42.3	0	0	0	113.5	T399 L403 Y445 Y449 L522	T399-P520 HydrophobicContact CG2-CG 3.79Å; L403-P520 HydrophobicContact CD1-CG 3.89Å; Y445-P520 HydrophobicContact CE1-CB 4.37Å; Y445-P520 HydrophobicContact CE1-CG 3.89Å; Y449-P520 HydrophobicContact CD1-CB 3.91Å; Y449-P520 HydrophobicContact CD2-CB 4.15Å; Y449-P520 VanDerWaalsContact CE1-CA 3.43Å; Y449-P520 HydrophobicContact CE1-CB 3.75Å; Y449-P520 HydrophobicContact CE2-CB 3.97Å; Y449-P520 HydrophobicContact CG-CB 4.12Å; P520-L522 HydrophobicContact CB-CD2 4.24Å; P520-L522 HydrophobicContact CG-CD2 3.9Å; P520-L522 HydrophobicContact CG-CG 4.43Å; P520-L522 PolarHBondContact O-N 3.38Å
521	D	95.8	Very high	95.8	Very high	103 Å²	103	52.2 Å²	52.2	55%	0.551	29%	0.291	S	S	*	.			trans	-76.5	116.2	169.1	178	20.1	0	0	0	110.1	S523	D521-S523 VanDerWaalsContact CG-OG 3.28Å; D521-S523 WeakPolarHBondContact OD1-CB 3.41Å; D521-S523 PolarHBondContact OD1-N 3.11Å; D521-S523 PolarHBondContact OD1-OG 3.22Å; D521-S523 VanDerWaalsContact OD1-OG 3.08Å; D521-S523 PolarHBondContact OD2-OG 3.32Å
522	L	97.1	Very high	95.9	Very high	43 Å²	43	50.3 Å²	50.3	23%	0.225	28%	0.281	C	S	.	.			trans	-100.3	11.3	-179.9	-54.7	-176.4	0	0	0	113.2	C396 T399 A400 L403 P520 Q524 G525	C396-L522 HydrophobicContact CB-CB 4.37Å; C396-L522 HydrophobicContact CB-CD2 4.26Å; T399-L522 HydrophobicContact CG2-CD2 3.76Å; A400-L522 HydrophobicContact CB-CD1 3.89Å; L403-L522 HydrophobicContact CD1-CD1 4.31Å; P520-L522 HydrophobicContact CB-CD2 4.24Å; P520-L522 HydrophobicContact CG-CD2 3.9Å; P520-L522 HydrophobicContact CG-CG 4.43Å; P520-L522 PolarHBondContact O-N 3.38Å; L522-Q524 PolarHBondContact O-N 3.16Å; L522-Q524 VanDerWaalsContact O-N 3.15Å; L522-G525 PolarHBondContact O-N 3.39Å
523	S	97.1	Very high	96	Very high	61 Å²	61	52.6 Å²	52.6	43%	0.427	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-55.2	-35.3	-175.7	64.8	0	0	0	0	113.4	D521 G525 S526	D521-S523 VanDerWaalsContact CG-OG 3.28Å; D521-S523 WeakPolarHBondContact OD1-CB 3.41Å; D521-S523 PolarHBondContact OD1-N 3.11Å; D521-S523 PolarHBondContact OD1-OG 3.22Å; D521-S523 VanDerWaalsContact OD1-OG 3.08Å; D521-S523 PolarHBondContact OD2-OG 3.32Å; S523-G525 PolarHBondContact O-N 3.03Å; S523-S526 VanDerWaalsContact O-CB 3.23Å; S523-S526 WeakPolarHBondContact O-CB 3.48Å; S523-S526 PolarHBondContact O-N 2.94Å; S523-S526 VanDerWaalsContact O-N 3.09Å; S523-S526 PolarHBondContact O-OG 2.81Å
524	Q	97.4	Very high	96	Very high	133 Å²	133	52.8 Å²	52.8	62%	0.621	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-65.8	-20.2	177.4	-63.5	-166.8	58.3	0	0	113.8	A392 L522	A392-Q524 HydrophobicContact CB-CB 4.13Å; A392-Q524 VanDerWaalsContact CB-OE1 3.31Å; L522-Q524 PolarHBondContact O-N 3.16Å; L522-Q524 VanDerWaalsContact O-N 3.15Å
525	G	97.3	Very high	96.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-86.2	-1.9	173.9	0	0	0	0	0	114.9	C396 L522 S523 S527 L528 T529	C396-G525 VanDerWaalsContact CB-CA 3.44Å; L522-G525 PolarHBondContact O-N 3.39Å; S523-G525 PolarHBondContact O-N 3.03Å; G525-S527 PolarHBondContact O-N 2.95Å; G525-L528 PolarHBondContact O-N 2.93Å; G525-T529 PolarHBondContact O-N 3.04Å; G525-T529 PolarHBondContact O-OG1 3.37Å
526	S	96.7	Very high	96.4	Very high	26 Å²	26	52 Å²	52	18%	0.182	28%	0.284	C	S	.	.	H	α-helix	trans	-54.8	-31	-172.2	-69.9	0	0	0	0	114.3	S523 L528 T529 R530	S523-S526 VanDerWaalsContact O-CB 3.23Å; S523-S526 WeakPolarHBondContact O-CB 3.48Å; S523-S526 PolarHBondContact O-N 2.94Å; S523-S526 VanDerWaalsContact O-N 3.09Å; S523-S526 PolarHBondContact O-OG 2.81Å; S526-L528 PolarHBondContact O-N 3.17Å; S526-T529 WeakPolarHBondContact CA-OG1 3.28Å; S526-R530 VanDerWaalsContact O-CB 3.23Å; S526-R530 WeakPolarHBondContact O-CB 3.18Å; S526-R530 VanDerWaalsContact O-CG 3.24Å; S526-R530 WeakPolarHBondContact O-CG 3.35Å; S526-R530 PolarHBondContact O-N 3.32Å
527	S	96.8	Very high	96.4	Very high	86 Å²	86	56.4 Å²	56.4	60%	0.601	30%	0.303	S	S	*	.	H	α-helix	trans	-65.4	-25.9	177.8	55.1	0	0	0	0	113.1	G525 P531	G525-S527 PolarHBondContact O-N 2.95Å; S527-P531 WeakPolarHBondContact O-CD 3.34Å; S527-P531 WeakPolarHBondContact O-CG 3.34Å
528	L	97.2	Very high	96.4	Very high	29 Å²	29	56.3 Å²	56.3	15%	0.152	30%	0.303	C	S	.	.	H	α-helix	trans	-99	-34.1	178.5	-61.5	177.9	0	0	0	112.3	A393 L397 G525 S526 Q563	A393-L528 HydrophobicContact CB-CD1 4.19Å; A393-L528 WeakPolarHBondContact O-CD1 3.46Å; L397-L528 HydrophobicContact CB-CB 4.32Å; L397-L528 HydrophobicContact CB-CD1 4.14Å; L397-L528 HydrophobicContact CD1-CB 4.23Å; L397-L528 HydrophobicContact CD2-CB 4.19Å; L397-L528 HydrophobicContact CD2-CD1 3.96Å; L397-L528 HydrophobicContact CG-CB 4.49Å; G525-L528 PolarHBondContact O-N 2.93Å; S526-L528 PolarHBondContact O-N 3.17Å; L528-Q563 HydrophobicContact CB-CG 4.41Å; L528-Q563 PolarHBondContact O-NE2 2.71Å
529	T	95.9	Very high	96.4	Very high	32 Å²	32	54.7 Å²	54.7	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-86	-35.1	-176.1	57.3	0	0	0	0	113.8	L397 A400 G525 S526 V532 E533	L397-T529 HydrophobicContact CD1-CG2 4.02Å; A400-T529 HydrophobicContact CB-CG2 4.21Å; G525-T529 PolarHBondContact O-N 3.04Å; G525-T529 PolarHBondContact O-OG1 3.37Å; S526-T529 WeakPolarHBondContact CA-OG1 3.28Å; T529-V532 WeakPolarHBondContact O-CB 3.47Å; T529-V532 PolarHBondContact O-N 2.95Å; T529-V532 VanDerWaalsContact O-N 3.12Å; T529-E533 PolarHBondContact O-N 3.25Å
530	R	96.4	Very high	96.2	Very high	176 Å²	176	53.2 Å²	53.2	66%	0.664	29%	0.286	S	S	*	.	H	α-helix	trans	-61.2	-39.4	179	-70.6	178.6	-176.9	168.2	3.7	114.2	S526 V532 E533 A534	S526-R530 VanDerWaalsContact O-CB 3.23Å; S526-R530 WeakPolarHBondContact O-CB 3.18Å; S526-R530 VanDerWaalsContact O-CG 3.24Å; S526-R530 WeakPolarHBondContact O-CG 3.35Å; S526-R530 PolarHBondContact O-N 3.32Å; R530-V532 PolarHBondContact O-N 2.71Å; R530-E533 PolarHBondContact O-N 3.37Å; R530-A534 WeakPolarHBondContact O-CB 3.46Å; R530-A534 PolarHBondContact O-N 3.06Å
531	P	96.9	Very high	96	Very high	49 Å²	49	54.4 Å²	54.4	32%	0.318	30%	0.297	S	S	.	.	H	α-helix	trans	-59	-34	174.1	-26.6	36	0	0	0	113.4	S527 L535 W559	S527-P531 WeakPolarHBondContact O-CD 3.34Å; S527-P531 WeakPolarHBondContact O-CG 3.34Å; P531-L535 WeakPolarHBondContact O-CB 3.18Å; P531-L535 PolarHBondContact O-N 3.38Å; P531-W559 HydrophobicContact CB-CZ2 4.17Å
532	V	97.3	Very high	95.6	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-66.1	-49.6	176.7	176.1	0	0	0	0	110.5	T529 R530 A534 L535 F536 W559 Q563 L566 F567	T529-V532 WeakPolarHBondContact O-CB 3.47Å; T529-V532 PolarHBondContact O-N 2.95Å; T529-V532 VanDerWaalsContact O-N 3.12Å; R530-V532 PolarHBondContact O-N 2.71Å; V532-A534 PolarHBondContact O-N 3.19Å; V532-L535 PolarHBondContact O-N 3.48Å; V532-F536 WeakPolarHBondContact O-CB 3.45Å; V532-F536 PolarHBondContact O-N 3.29Å; V532-W559 HydrophobicContact CB-CZ3 4.5Å; V532-W559 HydrophobicContact CG2-CE3 4.4Å; V532-W559 HydrophobicContact CG2-CH2 4.18Å; V532-W559 HydrophobicContact CG2-CZ3 3.86Å; V532-Q563 HydrophobicContact CG2-CB 3.78Å; V532-Q563 HydrophobicContact CG2-CG 4.12Å; V532-Q563 WeakPolarHBondContact CG2-O 3.41Å; V532-L566 HydrophobicContact CG1-CB 3.92Å; V532-F567 HydrophobicContact CG1-CB 3.94Å
533	E	95.3	Very high	95	Very high	73 Å²	73	59.7 Å²	59.7	34%	0.341	32%	0.324	S	S	.	.	H	α-helix	trans	-58.2	-48.2	175.8	-176	62.9	-129.4	0	0	111.4	T529 R530 L535 F536 Q537 R570	T529-E533 PolarHBondContact O-N 3.25Å; R530-E533 PolarHBondContact O-N 3.37Å; E533-L535 VanDerWaalsContact C-N 3.34Å; E533-L535 PolarHBondContact O-N 2.69Å; E533-F536 PolarHBondContact O-N 3.13Å; E533-Q537 HydrophobicContact CG-CG 4.42Å; E533-Q537 VanDerWaalsContact O-CG 3.28Å; E533-Q537 WeakPolarHBondContact O-CG 3.32Å; E533-Q537 PolarHBondContact O-N 2.91Å; E533-Q537 WeakPolarHBondContact OE1-CG 3.48Å; E533-Q537 PolarHBondContact OE1-NE2 2.74Å; E533-R570 IonicContact OE2-CZ 3.09Å; E533-R570 IonicContact OE2-NH1 3.06Å; E533-R570 PolarHBondContact OE2-NH1 3.09Å; E533-R570 IonicContact OE2-NH2 3.97Å
534	A	96.3	Very high	94.5	Very high	51 Å²	51	57.1 Å²	57.1	42%	0.421	31%	0.305	S	S	.	.	H	α-helix	trans	-60.2	-43.3	-179.4	0	0	0	0	0	112.2	R530 V532 L538	R530-A534 WeakPolarHBondContact O-CB 3.46Å; R530-A534 PolarHBondContact O-N 3.06Å; V532-A534 PolarHBondContact O-N 3.19Å; A534-L538 VanDerWaalsContact O-CG 3.29Å; A534-L538 WeakPolarHBondContact O-CG 3.4Å; A534-L538 PolarHBondContact O-N 3.14Å; A534-L538 VanDerWaalsContact O-N 3.17Å
535	L	97.1	Very high	93.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.9	-42	177.7	-176.8	60.5	0	0	0	111.9	P531 V532 E533 L538 W539 A551 I554 I556 W559 F567	P531-L535 WeakPolarHBondContact O-CB 3.18Å; P531-L535 PolarHBondContact O-N 3.38Å; V532-L535 PolarHBondContact O-N 3.48Å; E533-L535 VanDerWaalsContact C-N 3.34Å; E533-L535 PolarHBondContact O-N 2.69Å; L535-L538 PolarHBondContact O-N 2.7Å; L535-W539 VanDerWaalsContact O-CD1 3.29Å; L535-W539 PolarHBondContact O-N 2.96Å; L535-W539 VanDerWaalsContact O-N 3.15Å; L535-A551 HydrophobicContact CD1-CB 4.31Å; L535-I554 HydrophobicContact CB-CD1 4.29Å; L535-I554 HydrophobicContact CD1-CB 3.99Å; L535-I554 HydrophobicContact CD1-CD1 3.67Å; L535-I554 HydrophobicContact CD1-CG1 4.37Å; L535-I554 HydrophobicContact CD1-CG2 4.24Å; L535-I554 HydrophobicContact CD2-CG2 4.23Å; L535-I556 HydrophobicContact CD2-CG2 3.54Å; L535-W559 HydrophobicContact CB-CH2 3.83Å; L535-W559 HydrophobicContact CB-CZ2 4.32Å; L535-W559 HydrophobicContact CD2-CH2 3.38Å; L535-W559 HydrophobicContact CD2-CZ2 3.88Å; L535-W559 HydrophobicContact CD2-CZ3 4.05Å; L535-W559 HydrophobicContact CG-CH2 4.24Å; L535-F567 HydrophobicContact CB-CD2 4.43Å; L535-F567 HydrophobicContact CB-CE2 4.31Å; L535-F567 HydrophobicContact CD2-CD1 4.22Å; L535-F567 HydrophobicContact CD2-CD2 4.09Å; L535-F567 HydrophobicContact CD2-CE1 3.97Å; L535-F567 HydrophobicContact CD2-CE2 3.85Å; L535-F567 HydrophobicContact CD2-CG 4.28Å; L535-F567 HydrophobicContact CD2-CZ 3.77Å; L535-F567 HydrophobicContact CG-CD2 4.14Å; L535-F567 HydrophobicContact CG-CE2 3.65Å; L535-F567 HydrophobicContact CG-CZ 3.89Å
536	F	95.9	Very high	93.1	Very high	40 Å²	40	64.6 Å²	64.6	18%	0.175	34%	0.344	C	S	.	.	H	α-helix	trans	-57.2	-50.3	176	176.2	-105.1	0	0	0	111.3	V532 E533 L538 W539 T540 F567 R570 L571	V532-F536 WeakPolarHBondContact O-CB 3.45Å; V532-F536 PolarHBondContact O-N 3.29Å; E533-F536 PolarHBondContact O-N 3.13Å; F536-L538 VanDerWaalsContact C-N 3.27Å; F536-L538 PolarHBondContact O-N 3.44Å; F536-W539 PolarHBondContact O-N 3.45Å; F536-W539 VanDerWaalsContact O-N 3.11Å; F536-T540 HydrophobicContact CD2-CG2 4.17Å; F536-T540 HydrophobicContact CE1-CG2 4.29Å; F536-T540 HydrophobicContact CE2-CG2 3.71Å; F536-T540 HydrophobicContact CZ-CG2 3.79Å; F536-T540 PolarHBondContact O-N 3.34Å; F536-T540 PolarHBondContact O-OG1 3.2Å; F536-F567 HydrophobicContact CB-CD2 4.34Å; F536-R570 HydrophobicContact CD2-CB 3.64Å; F536-R570 HydrophobicContact CE2-CB 3.64Å; F536-R570 WeakPolarHBondContact CE2-O 3.45Å; F536-R570 HydrophobicContact CG-CB 4.19Å; F536-R570 HydrophobicContact CZ-CB 4.19Å; F536-L571 HydrophobicContact CD2-CD2 4.02Å; F536-L571 HydrophobicContact CD2-CG 4.28Å; F536-L571 HydrophobicContact CE2-CD2 4.08Å; F536-L571 HydrophobicContact CE2-CG 4.49Å
537	Q	95.1	Very high	92.7	Very high	102 Å²	102	63.9 Å²	63.9	48%	0.477	34%	0.34	S	S	.	.	H	α-helix	trans	-60	-34.4	178.1	-67.3	-63.2	-30.5	0	0	113.1	E533 A541	E533-Q537 HydrophobicContact CG-CG 4.42Å; E533-Q537 VanDerWaalsContact O-CG 3.28Å; E533-Q537 WeakPolarHBondContact O-CG 3.32Å; E533-Q537 PolarHBondContact O-N 2.91Å; E533-Q537 WeakPolarHBondContact OE1-CG 3.48Å; E533-Q537 PolarHBondContact OE1-NE2 2.74Å; Q537-A541 WeakPolarHBondContact O-CB 3.43Å; Q537-A541 PolarHBondContact O-N 3.17Å
538	L	95.7	Very high	92.1	Very high	46 Å²	46	60.8 Å²	60.8	24%	0.241	32%	0.32	C	S	.	.	H	α-helix	trans	-69	-37.3	176.4	-72.1	169.5	0	0	0	112.4	A534 L535 F536 A547 A551 I554	A534-L538 VanDerWaalsContact O-CG 3.29Å; A534-L538 WeakPolarHBondContact O-CG 3.4Å; A534-L538 PolarHBondContact O-N 3.14Å; A534-L538 VanDerWaalsContact O-N 3.17Å; L535-L538 PolarHBondContact O-N 2.7Å; F536-L538 VanDerWaalsContact C-N 3.27Å; F536-L538 PolarHBondContact O-N 3.44Å; L538-A547 HydrophobicContact CB-CB 4.46Å; L538-A547 HydrophobicContact CD2-CB 3.97Å; L538-A547 VanDerWaalsContact O-CB 3.24Å; L538-A547 WeakPolarHBondContact O-CB 3.33Å; L538-A551 HydrophobicContact CB-CB 3.81Å; L538-A551 HydrophobicContact CD1-CB 4.48Å; L538-I554 HydrophobicContact CD1-CD1 3.72Å
539	W	95.3	Very high	91.6	Very high	1 Å²	1	62.7 Å²	62.7	0%	0.004	34%	0.34	C	S	.	.	H	α-helix	trans	-78.2	-21	178.4	-77.3	114.3	0	0	0	113.8	L535 F536 L544 A551 F567 L585 C588 Y589	L535-W539 VanDerWaalsContact O-CD1 3.29Å; L535-W539 PolarHBondContact O-N 2.96Å; L535-W539 VanDerWaalsContact O-N 3.15Å; F536-W539 PolarHBondContact O-N 3.45Å; F536-W539 VanDerWaalsContact O-N 3.11Å; W539-L544 HydrophobicContact CE3-CD1 3.93Å; W539-L544 HydrophobicContact CZ3-CD1 4.32Å; W539-A551 HydrophobicContact CD2-CB 3.88Å; W539-A551 HydrophobicContact CE3-CB 4.39Å; W539-A551 HydrophobicContact CG-CB 4.31Å; W539-A551 HydrophobicContact CH2-CB 4.24Å; W539-A551 HydrophobicContact CZ2-CB 3.74Å; W539-F567 AromaticContact CD1-CE2 3.81Å; W539-F567 AromaticContact CD1-CZ 3.53Å; W539-F567 HydrophobicContact CG-CZ 4.41Å; W539-F567 AromaticContact NE1-CZ 3.96Å; W539-L585 HydrophobicContact CD2-CD2 3.53Å; W539-L585 HydrophobicContact CD2-CG 4.18Å; W539-L585 HydrophobicContact CE3-CD2 4.06Å; W539-L585 HydrophobicContact CE3-CG 4.22Å; W539-L585 HydrophobicContact CG-CD2 3.74Å; W539-L585 HydrophobicContact CZ2-CD2 4.13Å; W539-C588 HydrophobicContact CZ2-CB 4.36Å; W539-Y589 AromaticContact CE2-CE2 3.68Å; W539-Y589 AromaticContact CZ2-CE2 3.63Å; W539-Y589 HydrophobicContact CZ2-CE2 3.63Å; W539-Y589 AromaticContact CZ2-CZ 3.91Å; W539-Y589 AromaticContact NE1-CE2 3.41Å; W539-Y589 AromaticContact NE1-CZ 3.78Å; W539-Y589 PolarHBondContact NE1-OH 2.82Å
540	T	91.8	Very high	91.3	Very high	54 Å²	54	64.3 Å²	64.3	33%	0.331	35%	0.352	S	S	.	.	S	Bend	trans	-102.6	4.1	177.2	58	0	0	0	0	113.5	F536	F536-T540 HydrophobicContact CD2-CG2 4.17Å; F536-T540 HydrophobicContact CE1-CG2 4.29Å; F536-T540 HydrophobicContact CE2-CG2 3.71Å; F536-T540 HydrophobicContact CZ-CG2 3.79Å; F536-T540 PolarHBondContact O-N 3.34Å; F536-T540 PolarHBondContact O-OG1 3.2Å
541	A	91.8	Very high	91	Very high	36 Å²	36	56 Å²	56	30%	0.298	32%	0.321	S	S	.	.			trans	-68.4	137.9	177.4	0	0	0	0	0	112	Q537 P543 L544 A547	Q537-A541 WeakPolarHBondContact O-CB 3.43Å; Q537-A541 PolarHBondContact O-N 3.17Å; A541-P543 CarbonylContact O-C 3.47Å; A541-L544 WeakPolarHBondContact O-CA 3.38Å; A541-L544 PolarHBondContact O-N 3.42Å; A541-A547 HydrophobicContact CB-CB 3.75Å
542	E	87.1	Confident	90.6	Very high	184 Å²	184	56.5 Å²	56.5	86%	0.86	33%	0.326	S	S	*	.	S	Bend	trans	-111.8	121.9	172.9	-66.9	-171.5	176.6	0	0	110.7
543	P	85.1	Confident	90.2	Very high	74 Å²	74	60.3 Å²	60.3	48%	0.481	36%	0.357	S	S	.	.	S	Bend	cis	-80.8	144.2	-2	33	-34.2	0	0	0	113.3	A541 D545 Q546	A541-P543 CarbonylContact O-C 3.47Å; P543-D545 VanDerWaalsContact C-N 3.33Å; P543-D545 PolarHBondContact O-N 3.44Å; P543-Q546 HydrophobicContact CG-CG 4.27Å
544	L	87	Confident	90.1	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-60.8	-37.3	-175.6	180	65	0	0	0	113.4	W539 A541 Q546 A547 A548 E580 V581	W539-L544 HydrophobicContact CE3-CD1 3.93Å; W539-L544 HydrophobicContact CZ3-CD1 4.32Å; A541-L544 WeakPolarHBondContact O-CA 3.38Å; A541-L544 PolarHBondContact O-N 3.42Å; L544-Q546 PolarHBondContact O-N 2.72Å; L544-A547 PolarHBondContact O-N 2.71Å; L544-A548 HydrophobicContact CD1-CB 4.43Å; L544-A548 HydrophobicContact CG-CB 4.22Å; L544-A548 WeakPolarHBondContact O-CB 3.21Å; L544-A548 PolarHBondContact O-N 2.91Å; L544-E580 HydrophobicContact CD2-CB 4.43Å; L544-E580 HydrophobicContact CD2-CG 4.06Å; L544-V581 HydrophobicContact CD1-CG2 4.44Å; L544-V581 HydrophobicContact CD2-CB 4.36Å; L544-V581 HydrophobicContact CD2-CG2 3.77Å
545	D	82.9	Confident	89.9	Confident	135 Å²	135	60.3 Å²	60.3	72%	0.722	35%	0.352	S	S	*	.	H	α-helix	trans	-52.7	-34.6	-174.4	-72.4	-24.8	0	0	0	113.9	P543	P543-D545 VanDerWaalsContact C-N 3.33Å; P543-D545 PolarHBondContact O-N 3.44Å
546	Q	80.7	Confident	89.8	Confident	156 Å²	156	60.4 Å²	60.4	73%	0.729	35%	0.352	S	S	*	.	H	α-helix	trans	-75.5	-30.7	-179	-63.8	-179.1	32.9	0	0	112.2	P543 L544	P543-Q546 HydrophobicContact CG-CG 4.27Å; L544-Q546 PolarHBondContact O-N 2.72Å
547	A	88.3	Confident	89.7	Confident	11 Å²	11	61.8 Å²	61.8	9%	0.091	37%	0.367	C	S	.	.	H	α-helix	trans	-96.3	-25.6	-177.1	0	0	0	0	0	113.1	L538 A541 L544 A549 S550 A551	L538-A547 HydrophobicContact CB-CB 4.46Å; L538-A547 HydrophobicContact CD2-CB 3.97Å; L538-A547 VanDerWaalsContact O-CB 3.24Å; L538-A547 WeakPolarHBondContact O-CB 3.33Å; A541-A547 HydrophobicContact CB-CB 3.75Å; L544-A547 PolarHBondContact O-N 2.71Å; A547-A549 VanDerWaalsContact C-N 3.33Å; A547-A549 PolarHBondContact O-N 3.16Å; A547-S550 WeakPolarHBondContact O-CB 3.45Å; A547-S550 PolarHBondContact O-N 2.9Å; A547-A551 PolarHBondContact O-N 3Å
548	A	84.8	Confident	89.5	Confident	21 Å²	21	65 Å²	65	17%	0.174	38%	0.379	C	S	.	.	H	α-helix	trans	-58.7	-38.2	-174.1	0	0	0	0	0	113.8	L544 S550 A551 S552	L544-A548 HydrophobicContact CD1-CB 4.43Å; L544-A548 HydrophobicContact CG-CB 4.22Å; L544-A548 WeakPolarHBondContact O-CB 3.21Å; L544-A548 PolarHBondContact O-N 2.91Å; A548-S550 VanDerWaalsContact C-N 3.34Å; A548-S550 PolarHBondContact O-N 3.5Å; A548-A551 PolarHBondContact O-N 3.35Å; A548-S552 VanDerWaalsContact O-CB 3.29Å; A548-S552 WeakPolarHBondContact O-CB 3.39Å; A548-S552 PolarHBondContact O-N 3.03Å; A548-S552 PolarHBondContact O-OG 3.46Å
549	A	86.6	Confident	89.6	Confident	69 Å²	69	64.5 Å²	64.5	57%	0.57	37%	0.374	S	S	*	.	H	α-helix	trans	-63.1	-41.6	176	0	0	0	0	0	111.8	A547 S552 A553	A547-A549 VanDerWaalsContact C-N 3.33Å; A547-A549 PolarHBondContact O-N 3.16Å; A549-S552 PolarHBondContact O-OG 3.48Å; A549-S552 VanDerWaalsContact O-OG 3.13Å; A549-A553 PolarHBondContact O-N 2.87Å
550	S	90.1	Very high	89.6	Confident	66 Å²	66	69.2 Å²	69.2	46%	0.462	39%	0.392	S	S	.	.	H	α-helix	trans	-70.7	-39.6	175.9	-58.9	0	0	0	0	111.7	A547 A548 A553	A547-S550 WeakPolarHBondContact O-CB 3.45Å; A547-S550 PolarHBondContact O-N 2.9Å; A548-S550 VanDerWaalsContact C-N 3.34Å; A548-S550 PolarHBondContact O-N 3.5Å; S550-A553 PolarHBondContact O-N 3.3Å
551	A	90.3	Very high	89.8	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-63.2	-49.8	178.4	0	0	0	0	0	111.5	L535 L538 W539 A547 A548 A553 I554 Y589	L535-A551 HydrophobicContact CD1-CB 4.31Å; L538-A551 HydrophobicContact CB-CB 3.81Å; L538-A551 HydrophobicContact CD1-CB 4.48Å; W539-A551 HydrophobicContact CD2-CB 3.88Å; W539-A551 HydrophobicContact CE3-CB 4.39Å; W539-A551 HydrophobicContact CG-CB 4.31Å; W539-A551 HydrophobicContact CH2-CB 4.24Å; W539-A551 HydrophobicContact CZ2-CB 3.74Å; A547-A551 PolarHBondContact O-N 3Å; A548-A551 PolarHBondContact O-N 3.35Å; A551-A553 PolarHBondContact O-N 3.29Å; A551-I554 WeakPolarHBondContact O-CB 3.46Å; A551-I554 PolarHBondContact O-N 2.9Å; A551-I554 VanDerWaalsContact O-N 3.08Å; A551-Y589 PolarHBondContact O-OH 3.25Å; A551-Y589 VanDerWaalsContact O-OH 3.06Å
552	S	88.9	Confident	90.1	Very high	61 Å²	61	65.9 Å²	65.9	43%	0.427	37%	0.368	S	S	.	.	H	α-helix	trans	-66.7	-20	180	60.6	0	0	0	0	114.1	A548 A549 I554	A548-S552 VanDerWaalsContact O-CB 3.29Å; A548-S552 WeakPolarHBondContact O-CB 3.39Å; A548-S552 PolarHBondContact O-N 3.03Å; A548-S552 PolarHBondContact O-OG 3.46Å; A549-S552 PolarHBondContact O-OG 3.48Å; A549-S552 VanDerWaalsContact O-OG 3.13Å; S552-I554 VanDerWaalsContact C-N 3.3Å
553	A	89	Confident	90.5	Very high	81 Å²	81	57.7 Å²	57.7	67%	0.669	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.6	174	0	0	0	0	0	113.4	A549 S550 A551 D555	A549-A553 PolarHBondContact O-N 2.87Å; S550-A553 PolarHBondContact O-N 3.3Å; A551-A553 PolarHBondContact O-N 3.29Å; A553-D555 PolarHBondContact O-N 3.4Å
554	I	92.3	Very high	91.2	Very high	51 Å²	51	54.1 Å²	54.1	26%	0.262	31%	0.307	S	S	.	.	S	Bend	trans	-79.1	115.8	178.7	-65.6	168.7	0	0	0	109.6	L535 L538 A551 S552 I556 W559	L535-I554 HydrophobicContact CB-CD1 4.29Å; L535-I554 HydrophobicContact CD1-CB 3.99Å; L535-I554 HydrophobicContact CD1-CD1 3.67Å; L535-I554 HydrophobicContact CD1-CG1 4.37Å; L535-I554 HydrophobicContact CD1-CG2 4.24Å; L535-I554 HydrophobicContact CD2-CG2 4.23Å; L538-I554 HydrophobicContact CD1-CD1 3.72Å; A551-I554 WeakPolarHBondContact O-CB 3.46Å; A551-I554 PolarHBondContact O-N 2.9Å; A551-I554 VanDerWaalsContact O-N 3.08Å; S552-I554 VanDerWaalsContact C-N 3.3Å; I554-I556 HydrophobicContact CG2-CG2 4.32Å; I554-I556 PolarHBondContact O-N 3.45Å; I554-W559 HydrophobicContact CG2-CZ2 3.96Å
555	D	91.9	Very high	91.6	Very high	72 Å²	72	53.9 Å²	53.9	39%	0.385	31%	0.305	S	S	.	.			trans	-84.6	97.8	179	176.9	16.6	0	0	0	111.2	A553 S557 K558	A553-D555 PolarHBondContact O-N 3.4Å; D555-S557 VanDerWaalsContact CG-OG 3.3Å; D555-S557 PolarHBondContact O-N 3.13Å; D555-S557 VanDerWaalsContact OD1-CB 3.25Å; D555-S557 WeakPolarHBondContact OD1-CB 3.44Å; D555-S557 PolarHBondContact OD1-N 3.34Å; D555-S557 PolarHBondContact OD1-OG 3.38Å; D555-S557 PolarHBondContact OD2-OG 2.79Å; D555-K558 WeakPolarHBondContact OD2-CE 3.27Å; D555-K558 IonicContact OD2-NZ 2.77Å; D555-K558 PolarHBondContact OD2-NZ 3.31Å
556	I	95.1	Very high	92.3	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-77.5	-4.5	177.7	70.5	172.3	0	0	0	113.4	L535 I554 K558 W559 Y589 L592 L593	L535-I556 HydrophobicContact CD2-CG2 3.54Å; I554-I556 HydrophobicContact CG2-CG2 4.32Å; I554-I556 PolarHBondContact O-N 3.45Å; I556-K558 PolarHBondContact O-N 2.91Å; I556-W559 HydrophobicContact CB-CD2 4.03Å; I556-W559 HydrophobicContact CB-CE3 4.27Å; I556-W559 HydrophobicContact CB-CG 4.21Å; I556-W559 HydrophobicContact CG2-CD2 3.99Å; I556-W559 HydrophobicContact CG2-CE3 4.11Å; I556-W559 HydrophobicContact CG2-CH2 4.19Å; I556-W559 HydrophobicContact CG2-CZ2 4.04Å; I556-W559 HydrophobicContact CG2-CZ3 4.21Å; I556-W559 VanDerWaalsContact O-CB 3.32Å; I556-W559 WeakPolarHBondContact O-CB 3.49Å; I556-W559 PolarHBondContact O-N 3.48Å; I556-W559 VanDerWaalsContact O-N 3.12Å; I556-Y589 HydrophobicContact CD1-CD1 3.6Å; I556-Y589 HydrophobicContact CD1-CD2 4.43Å; I556-Y589 HydrophobicContact CD1-CE1 4.07Å; I556-Y589 HydrophobicContact CD1-CG 3.81Å; I556-Y589 HydrophobicContact CG1-CD1 3.94Å; I556-Y589 HydrophobicContact CG1-CE1 4.14Å; I556-Y589 HydrophobicContact CG2-CE1 4.34Å; I556-L592 HydrophobicContact CD1-CD2 4.16Å; I556-L592 HydrophobicContact CG1-CD2 3.54Å; I556-L593 HydrophobicContact CD1-CD2 4.33Å
557	S	93.4	Very high	93.1	Very high	70 Å²	70	40.1 Å²	40.1	49%	0.49	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-67.4	-17.8	179.1	71.9	0	0	0	0	113.3	D555	D555-S557 VanDerWaalsContact CG-OG 3.3Å; D555-S557 PolarHBondContact O-N 3.13Å; D555-S557 VanDerWaalsContact OD1-CB 3.25Å; D555-S557 WeakPolarHBondContact OD1-CB 3.44Å; D555-S557 PolarHBondContact OD1-N 3.34Å; D555-S557 PolarHBondContact OD1-OG 3.38Å; D555-S557 PolarHBondContact OD2-OG 2.79Å
558	K	92.7	Very high	93.5	Very high	169 Å²	169	39.7 Å²	39.7	74%	0.735	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-94.5	-2.9	177.9	-62.1	174.7	-174.8	157.5	0	113.1	D555 I556	D555-K558 WeakPolarHBondContact OD2-CE 3.27Å; D555-K558 IonicContact OD2-NZ 2.77Å; D555-K558 PolarHBondContact OD2-NZ 3.31Å; I556-K558 PolarHBondContact O-N 2.91Å
559	W	96.4	Very high	94.1	Very high	35 Å²	35	39.1 Å²	39.1	13%	0.133	23%	0.227	C	C	.	.	S	Bend	trans	-75.4	152.1	-177.5	-74.1	18.1	0	0	0	110.9	P531 V532 L535 I554 I556 Q563 F567	P531-W559 HydrophobicContact CB-CZ2 4.17Å; V532-W559 HydrophobicContact CB-CZ3 4.5Å; V532-W559 HydrophobicContact CG2-CE3 4.4Å; V532-W559 HydrophobicContact CG2-CH2 4.18Å; V532-W559 HydrophobicContact CG2-CZ3 3.86Å; L535-W559 HydrophobicContact CB-CH2 3.83Å; L535-W559 HydrophobicContact CB-CZ2 4.32Å; L535-W559 HydrophobicContact CD2-CH2 3.38Å; L535-W559 HydrophobicContact CD2-CZ2 3.88Å; L535-W559 HydrophobicContact CD2-CZ3 4.05Å; L535-W559 HydrophobicContact CG-CH2 4.24Å; I554-W559 HydrophobicContact CG2-CZ2 3.96Å; I556-W559 HydrophobicContact CB-CD2 4.03Å; I556-W559 HydrophobicContact CB-CE3 4.27Å; I556-W559 HydrophobicContact CB-CG 4.21Å; I556-W559 HydrophobicContact CG2-CD2 3.99Å; I556-W559 HydrophobicContact CG2-CE3 4.11Å; I556-W559 HydrophobicContact CG2-CH2 4.19Å; I556-W559 HydrophobicContact CG2-CZ2 4.04Å; I556-W559 HydrophobicContact CG2-CZ3 4.21Å; I556-W559 VanDerWaalsContact O-CB 3.32Å; I556-W559 WeakPolarHBondContact O-CB 3.49Å; I556-W559 PolarHBondContact O-N 3.48Å; I556-W559 VanDerWaalsContact O-N 3.12Å; W559-Q563 HydrophobicContact CB-CB 4.05Å; W559-Q563 HydrophobicContact CD2-CB 4.12Å; W559-Q563 HydrophobicContact CE3-CB 3.74Å; W559-Q563 HydrophobicContact CG-CB 4.31Å; W559-Q563 HydrophobicContact CZ3-CB 4.47Å; W559-F567 HydrophobicContact CZ3-CB 3.84Å; W559-F567 HydrophobicContact CZ3-CG 4.22Å
560	R	95.9	Very high	94.5	Very high	100 Å²	100	38.3 Å²	38.3	38%	0.377	21%	0.209	S	C	.	.			trans	-66.6	157.9	166.1	-71.7	-174.8	174.1	-91.3	4.8	110.6	E344 L397 F562 Q563 T564	E344-R560 VanDerWaalsContact OE1-CB 3.31Å; E344-R560 WeakPolarHBondContact OE1-CB 3.23Å; E344-R560 WeakPolarHBondContact OE1-CD 3.37Å; E344-R560 VanDerWaalsContact OE1-CG 3.29Å; E344-R560 WeakPolarHBondContact OE1-CG 3.14Å; E344-R560 IonicContact OE1-CZ 3.3Å; E344-R560 IonicContact OE1-NH1 3.53Å; E344-R560 PolarHBondContact OE1-NH1 3.32Å; L397-R560 HydrophobicContact CD2-CB 4.06Å; R560-F562 VanDerWaalsContact C-N 3.31Å; R560-F562 PolarHBondContact O-N 3.27Å; R560-Q563 HydrophobicContact CB-CG 4.18Å; R560-Q563 WeakPolarHBondContact O-CB 3.32Å; R560-Q563 PolarHBondContact O-N 2.99Å; R560-Q563 VanDerWaalsContact O-N 3.1Å; R560-T564 PolarHBondContact O-N 3.03Å; R560-T564 VanDerWaalsContact O-N 3.16Å; R560-T564 PolarHBondContact O-OG1 3.34Å
561	T	96.1	Very high	94.8	Very high	20 Å²	20	35.2 Å²	35.2	12%	0.123	19%	0.187	C	C	.	.	H	α-helix	trans	-58.8	-46.4	179.8	-55.3	0	0	0	0	110.2	E344 F345 Q563 T564 A565 N597 I600	E344-T561 WeakPolarHBondContact OE2-CA 3.41Å; E344-T561 VanDerWaalsContact OE2-CB 3.28Å; E344-T561 WeakPolarHBondContact OE2-CB 3.27Å; E344-T561 PolarHBondContact OE2-N 3.02Å; F345-T561 HydrophobicContact CD2-CG2 4.05Å; F345-T561 HydrophobicContact CE2-CG2 3.78Å; T561-Q563 VanDerWaalsContact C-N 3.3Å; T561-Q563 PolarHBondContact O-N 3.46Å; T561-T564 PolarHBondContact O-N 3.22Å; T561-A565 WeakPolarHBondContact O-CB 3.48Å; T561-A565 PolarHBondContact O-N 3.09Å; T561-N597 WeakPolarHBondContact CG2-ND2 3.33Å; T561-I600 HydrophobicContact CG2-CD1 3.9Å; T561-I600 HydrophobicContact CG2-CG1 3.94Å
562	F	96.8	Very high	94.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-28.4	178.4	-67.9	-54.9	0	0	0	114.1	E344 F345 I348 F394 L397 E398 F401 R560 L566	E344-F562 HydrophobicContact CB-CD2 4.09Å; E344-F562 HydrophobicContact CB-CE2 3.7Å; E344-F562 HydrophobicContact CB-CZ 4.27Å; E344-F562 PolarHBondContact OE2-N 3.03Å; E344-F562 VanDerWaalsContact OE2-N 3.11Å; F345-F562 HydrophobicContact CD1-CE1 4.06Å; F345-F562 HydrophobicContact CD1-CZ 4.37Å; F345-F562 AromaticContact CD2-CE1 3.88Å; F345-F562 HydrophobicContact CD2-CE1 3.88Å; F345-F562 HydrophobicContact CD2-CZ 4.14Å; F345-F562 AromaticContact CE1-CE1 3.71Å; F345-F562 HydrophobicContact CE1-CE1 3.71Å; F345-F562 HydrophobicContact CE1-CZ 4.45Å; F345-F562 HydrophobicContact CE2-CD1 4.03Å; F345-F562 AromaticContact CE2-CE1 3.58Å; F345-F562 HydrophobicContact CE2-CE1 3.58Å; F345-F562 HydrophobicContact CE2-CZ 4.3Å; F345-F562 HydrophobicContact CG-CE1 4.17Å; F345-F562 HydrophobicContact CG-CZ 4.24Å; F345-F562 HydrophobicContact CZ-CD1 4.03Å; F345-F562 AromaticContact CZ-CE1 3.5Å; F345-F562 HydrophobicContact CZ-CE1 3.5Å; F345-F562 VanDerWaalsContact CZ-CE1 3.5Å; F345-F562 HydrophobicContact CZ-CZ 4.46Å; I348-F562 HydrophobicContact CD1-CE1 4.21Å; I348-F562 HydrophobicContact CD1-CE2 4.36Å; I348-F562 HydrophobicContact CD1-CZ 3.51Å; I348-F562 HydrophobicContact CG1-CZ 4.05Å; I348-F562 HydrophobicContact CG2-CE2 4.16Å; I348-F562 HydrophobicContact CG2-CZ 4.33Å; F394-F562 HydrophobicContact CE2-CD2 4.01Å; F394-F562 HydrophobicContact CE2-CE2 4.2Å; F394-F562 HydrophobicContact CZ-CD2 4.21Å; F394-F562 AromaticContact CZ-CE2 3.94Å; F394-F562 HydrophobicContact CZ-CE2 3.94Å; L397-F562 HydrophobicContact CD1-CB 4.35Å; L397-F562 HydrophobicContact CD2-CB 3.8Å; L397-F562 HydrophobicContact CG-CB 3.75Å; E398-F562 HydrophobicContact CB-CD2 4.42Å; E398-F562 HydrophobicContact CB-CE2 4.34Å; E398-F562 HydrophobicContact CG-CE2 4.22Å; E398-F562 HydrophobicContact CG-CZ 4.39Å; F401-F562 HydrophobicContact CB-CD1 4.24Å; F401-F562 AromaticContact CD1-CD1 3.65Å; F401-F562 HydrophobicContact CD1-CD1 3.65Å; F401-F562 AromaticContact CD1-CE1 3.71Å; F401-F562 HydrophobicContact CD1-CE1 3.71Å; F401-F562 HydrophobicContact CD2-CD1 4.34Å; F401-F562 HydrophobicContact CE1-CD1 4.09Å; F401-F562 AromaticContact CE1-CE1 3.87Å; F401-F562 HydrophobicContact CE1-CE1 3.87Å; F401-F562 AromaticContact CG-CD1 3.8Å; F401-F562 HydrophobicContact CG-CD1 3.8Å; F401-F562 HydrophobicContact CG-CE1 4.34Å; R560-F562 VanDerWaalsContact C-N 3.31Å; R560-F562 PolarHBondContact O-N 3.27Å; F562-L566 VanDerWaalsContact O-CB 3.31Å; F562-L566 WeakPolarHBondContact O-CB 3.39Å; F562-L566 VanDerWaalsContact O-CG 3.32Å; F562-L566 WeakPolarHBondContact O-CG 3.42Å; F562-L566 PolarHBondContact O-N 3.44Å
563	Q	97.4	Very high	95.1	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.056	19%	0.189	C	C	.	.	H	α-helix	trans	-67.4	-45.8	173.7	-69.8	179.5	-83.3	0	0	111	L397 L528 V532 W559 R560 T561 F567	L397-Q563 HydrophobicContact CD1-CG 3.81Å; L397-Q563 HydrophobicContact CD2-CG 3.75Å; L397-Q563 HydrophobicContact CG-CG 4.46Å; L528-Q563 HydrophobicContact CB-CG 4.41Å; L528-Q563 PolarHBondContact O-NE2 2.71Å; V532-Q563 HydrophobicContact CG2-CB 3.78Å; V532-Q563 HydrophobicContact CG2-CG 4.12Å; V532-Q563 WeakPolarHBondContact CG2-O 3.41Å; W559-Q563 HydrophobicContact CB-CB 4.05Å; W559-Q563 HydrophobicContact CD2-CB 4.12Å; W559-Q563 HydrophobicContact CE3-CB 3.74Å; W559-Q563 HydrophobicContact CG-CB 4.31Å; W559-Q563 HydrophobicContact CZ3-CB 4.47Å; R560-Q563 HydrophobicContact CB-CG 4.18Å; R560-Q563 WeakPolarHBondContact O-CB 3.32Å; R560-Q563 PolarHBondContact O-N 2.99Å; R560-Q563 VanDerWaalsContact O-N 3.1Å; T561-Q563 VanDerWaalsContact C-N 3.3Å; T561-Q563 PolarHBondContact O-N 3.46Å; Q563-F567 PolarHBondContact O-N 3.16Å
564	T	97.8	Very high	95.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.6	-40.4	177.9	-54.2	0	0	0	0	111.1	R560 T561 F567 L568 L593 M596 I600	R560-T564 PolarHBondContact O-N 3.03Å; R560-T564 VanDerWaalsContact O-N 3.16Å; R560-T564 PolarHBondContact O-OG1 3.34Å; T561-T564 PolarHBondContact O-N 3.22Å; T564-F567 PolarHBondContact O-N 3.06Å; T564-L568 HydrophobicContact CG2-CD1 4.19Å; T564-L568 WeakPolarHBondContact O-CG 3.31Å; T564-L568 PolarHBondContact O-N 3.36Å; T564-L593 HydrophobicContact CG2-CD2 3.98Å; T564-M596 HydrophobicContact CG2-CE 4.13Å; T564-M596 HydrophobicContact CG2-SD 4.19Å; T564-I600 HydrophobicContact CG2-CD1 4.03Å; T564-I600 HydrophobicContact CG2-CG1 4.47Å; T564-I600 HydrophobicContact CG2-CG2 3.81Å
565	A	96.8	Very high	95.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.6	-50.5	175.4	0	0	0	0	0	111.6	F401 T561 F567 L568 D569 I600	F401-A565 HydrophobicContact CD2-CB 4.23Å; F401-A565 HydrophobicContact CE2-CB 3.95Å; T561-A565 WeakPolarHBondContact O-CB 3.48Å; T561-A565 PolarHBondContact O-N 3.09Å; A565-F567 VanDerWaalsContact C-N 3.3Å; A565-F567 PolarHBondContact O-N 3.37Å; A565-L568 PolarHBondContact O-N 3.4Å; A565-D569 WeakPolarHBondContact O-CB 3.48Å; A565-D569 VanDerWaalsContact O-CG 3.32Å; A565-D569 PolarHBondContact O-N 2.77Å; A565-I600 HydrophobicContact CB-CD1 3.83Å
566	L	96.8	Very high	95.3	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-56.4	-42.4	176.2	-83.2	170.3	0	0	0	112.8	L397 A400 F401 D404 V532 F562 R570	L397-L566 HydrophobicContact CD1-CD1 3.62Å; A400-L566 HydrophobicContact CB-CD1 4.38Å; F401-L566 HydrophobicContact CB-CD1 4.35Å; F401-L566 HydrophobicContact CB-CD2 4.1Å; F401-L566 HydrophobicContact CB-CG 4.04Å; F401-L566 HydrophobicContact CD2-CD2 4.37Å; F401-L566 HydrophobicContact CD2-CG 4.28Å; D404-L566 HydrophobicContact CB-CD2 4.32Å; D404-L566 WeakPolarHBondContact OD2-CD2 3.46Å; V532-L566 HydrophobicContact CG1-CB 3.92Å; F562-L566 VanDerWaalsContact O-CB 3.31Å; F562-L566 WeakPolarHBondContact O-CB 3.39Å; F562-L566 VanDerWaalsContact O-CG 3.32Å; F562-L566 WeakPolarHBondContact O-CG 3.42Å; F562-L566 PolarHBondContact O-N 3.44Å; L566-R570 VanDerWaalsContact O-CG 3.27Å; L566-R570 WeakPolarHBondContact O-CG 3.48Å; L566-R570 PolarHBondContact O-N 2.98Å; L566-R570 VanDerWaalsContact O-N 3.13Å
567	F	97.8	Very high	95.3	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-46.7	177.1	170.5	-118.2	0	0	0	112.2	V532 L535 F536 W539 W559 Q563 T564 A565 L571 L585 Y589	V532-F567 HydrophobicContact CG1-CB 3.94Å; L535-F567 HydrophobicContact CB-CD2 4.43Å; L535-F567 HydrophobicContact CB-CE2 4.31Å; L535-F567 HydrophobicContact CD2-CD1 4.22Å; L535-F567 HydrophobicContact CD2-CD2 4.09Å; L535-F567 HydrophobicContact CD2-CE1 3.97Å; L535-F567 HydrophobicContact CD2-CE2 3.85Å; L535-F567 HydrophobicContact CD2-CG 4.28Å; L535-F567 HydrophobicContact CD2-CZ 3.77Å; L535-F567 HydrophobicContact CG-CD2 4.14Å; L535-F567 HydrophobicContact CG-CE2 3.65Å; L535-F567 HydrophobicContact CG-CZ 3.89Å; F536-F567 HydrophobicContact CB-CD2 4.34Å; W539-F567 AromaticContact CD1-CE2 3.81Å; W539-F567 AromaticContact CD1-CZ 3.53Å; W539-F567 HydrophobicContact CG-CZ 4.41Å; W539-F567 AromaticContact NE1-CZ 3.96Å; W559-F567 HydrophobicContact CZ3-CB 3.84Å; W559-F567 HydrophobicContact CZ3-CG 4.22Å; Q563-F567 PolarHBondContact O-N 3.16Å; T564-F567 PolarHBondContact O-N 3.06Å; A565-F567 VanDerWaalsContact C-N 3.3Å; A565-F567 PolarHBondContact O-N 3.37Å; F567-L571 HydrophobicContact CD1-CD1 4.37Å; F567-L571 HydrophobicContact CD2-CD1 4.38Å; F567-L571 HydrophobicContact CE1-CD1 3.8Å; F567-L571 HydrophobicContact CE2-CD1 3.79Å; F567-L571 HydrophobicContact CE2-CG 4.19Å; F567-L571 HydrophobicContact CZ-CD1 3.48Å; F567-L571 VanDerWaalsContact CZ-CD1 3.48Å; F567-L571 HydrophobicContact CZ-CG 4.36Å; F567-L571 WeakPolarHBondContact O-CG 3.14Å; F567-L571 PolarHBondContact O-N 3.09Å; F567-L585 HydrophobicContact CZ-CD2 4.1Å; F567-Y589 HydrophobicContact CE1-CE2 4.35Å; F567-Y589 HydrophobicContact CZ-CE2 4.43Å
568	L	97.8	Very high	95.3	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-69.8	-38	179.6	-64.9	174.7	0	0	0	112.2	T564 A565 R570 L571 L572 L593 I600 R603 W604 I607	T564-L568 HydrophobicContact CG2-CD1 4.19Å; T564-L568 WeakPolarHBondContact O-CG 3.31Å; T564-L568 PolarHBondContact O-N 3.36Å; A565-L568 PolarHBondContact O-N 3.4Å; L568-R570 VanDerWaalsContact C-N 3.32Å; L568-R570 PolarHBondContact O-N 3.3Å; L568-L571 HydrophobicContact CD2-CD1 4.49Å; L568-L571 WeakPolarHBondContact O-CB 3.37Å; L568-L571 PolarHBondContact O-N 3.16Å; L568-L572 WeakPolarHBondContact O-CB 3.4Å; L568-L572 WeakPolarHBondContact O-CG 3.39Å; L568-L572 PolarHBondContact O-N 3.27Å; L568-L593 HydrophobicContact CD1-CD2 4.07Å; L568-L593 HydrophobicContact CD2-CD1 4.21Å; L568-I600 HydrophobicContact CD1-CG2 3.77Å; L568-R603 HydrophobicContact CB-CB 3.8Å; L568-R603 HydrophobicContact CD1-CB 3.92Å; L568-W604 HydrophobicContact CD2-CE3 4.49Å; L568-I607 HydrophobicContact CB-CD1 4.41Å; L568-I607 HydrophobicContact CD2-CD1 3.93Å
569	D	95.9	Very high	95.3	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.043	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-42.2	176.8	-77.4	-4.9	0	0	0	111.3	F401 R408 A565 L571 L572 D573 R603	F401-D569 WeakPolarHBondContact CE2-OD2 3.49Å; R408-D569 IonicContact CZ-OD2 2.83Å; R408-D569 IonicContact NH1-OD2 3.49Å; R408-D569 IonicContact NH2-OD2 3.58Å; R408-D569 PolarHBondContact NH2-OD2 3.03Å; A565-D569 WeakPolarHBondContact O-CB 3.48Å; A565-D569 VanDerWaalsContact O-CG 3.32Å; A565-D569 PolarHBondContact O-N 2.77Å; D569-L571 VanDerWaalsContact C-N 3.34Å; D569-L571 PolarHBondContact O-N 2.84Å; D569-L572 WeakPolarHBondContact O-CB 3.4Å; D569-L572 PolarHBondContact O-N 3.45Å; D569-L572 VanDerWaalsContact O-N 3.15Å; D569-D573 PolarHBondContact O-N 3.24Å; D569-R603 VanDerWaalsContact OD1-CD 3.23Å; D569-R603 WeakPolarHBondContact OD1-CD 3.4Å; D569-R603 IonicContact OD1-CZ 2.65Å; D569-R603 IonicContact OD1-NE 3.46Å; D569-R603 PolarHBondContact OD1-NE 2.84Å; D569-R603 IonicContact OD1-NH2 3.67Å; D569-R603 IonicContact OD2-NE 3.22Å; D569-R603 IonicContact OD2-NH2 3.74Å
570	R	94.9	Very high	95.1	Very high	52 Å²	52	38.2 Å²	38.2	20%	0.196	21%	0.206	C	C	.	.	H	α-helix	trans	-66.1	-36.8	176.5	-69.2	170	178.2	-155.5	-7.5	112.7	D404 E533 F536 L566 L568 L572 G574	D404-R570 IonicContact OD2-NE 3.98Å; D404-R570 IonicContact OD2-NH2 2.96Å; E533-R570 IonicContact OE2-CZ 3.09Å; E533-R570 IonicContact OE2-NH1 3.06Å; E533-R570 PolarHBondContact OE2-NH1 3.09Å; E533-R570 IonicContact OE2-NH2 3.97Å; F536-R570 HydrophobicContact CD2-CB 3.64Å; F536-R570 HydrophobicContact CE2-CB 3.64Å; F536-R570 WeakPolarHBondContact CE2-O 3.45Å; F536-R570 HydrophobicContact CG-CB 4.19Å; F536-R570 HydrophobicContact CZ-CB 4.19Å; L566-R570 VanDerWaalsContact O-CG 3.27Å; L566-R570 WeakPolarHBondContact O-CG 3.48Å; L566-R570 PolarHBondContact O-N 2.98Å; L566-R570 VanDerWaalsContact O-N 3.13Å; L568-R570 VanDerWaalsContact C-N 3.32Å; L568-R570 PolarHBondContact O-N 3.3Å; R570-L572 VanDerWaalsContact C-N 3.35Å; R570-G574 PolarHBondContact O-N 3.31Å
571	L	96.1	Very high	95.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-67.4	-36.1	172	-71	174.8	0	0	0	111.9	F536 F567 L568 D569 G574 S575 L577 L585 I607	F536-L571 HydrophobicContact CD2-CD2 4.02Å; F536-L571 HydrophobicContact CD2-CG 4.28Å; F536-L571 HydrophobicContact CE2-CD2 4.08Å; F536-L571 HydrophobicContact CE2-CG 4.49Å; F567-L571 HydrophobicContact CD1-CD1 4.37Å; F567-L571 HydrophobicContact CD2-CD1 4.38Å; F567-L571 HydrophobicContact CE1-CD1 3.8Å; F567-L571 HydrophobicContact CE2-CD1 3.79Å; F567-L571 HydrophobicContact CE2-CG 4.19Å; F567-L571 HydrophobicContact CZ-CD1 3.48Å; F567-L571 VanDerWaalsContact CZ-CD1 3.48Å; F567-L571 HydrophobicContact CZ-CG 4.36Å; F567-L571 WeakPolarHBondContact O-CG 3.14Å; F567-L571 PolarHBondContact O-N 3.09Å; L568-L571 HydrophobicContact CD2-CD1 4.49Å; L568-L571 WeakPolarHBondContact O-CB 3.37Å; L568-L571 PolarHBondContact O-N 3.16Å; D569-L571 VanDerWaalsContact C-N 3.34Å; D569-L571 PolarHBondContact O-N 2.84Å; L571-G574 PolarHBondContact O-N 3.3Å; L571-S575 PolarHBondContact O-N 3.26Å; L571-S575 PolarHBondContact O-OG 2.83Å; L571-L577 HydrophobicContact CB-CD1 4.28Å; L571-L577 HydrophobicContact CD2-CD1 4.13Å; L571-L585 HydrophobicContact CD1-CD1 3.84Å; L571-L585 HydrophobicContact CD1-CD2 4.14Å; L571-L585 HydrophobicContact CD2-CD1 4.34Å; L571-I607 HydrophobicContact CB-CD1 3.77Å; L571-I607 HydrophobicContact CD1-CD1 4.33Å
572	L	94	Very high	95.1	Very high	9 Å²	9	33 Å²	33	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-65.2	-41.9	174.3	-80.6	170.2	0	0	0	112.2	L568 D569 R570 G574 S575 R603 Q606 I607	L568-L572 WeakPolarHBondContact O-CB 3.4Å; L568-L572 WeakPolarHBondContact O-CG 3.39Å; L568-L572 PolarHBondContact O-N 3.27Å; D569-L572 WeakPolarHBondContact O-CB 3.4Å; D569-L572 PolarHBondContact O-N 3.45Å; D569-L572 VanDerWaalsContact O-N 3.15Å; R570-L572 VanDerWaalsContact C-N 3.35Å; L572-G574 PolarHBondContact O-N 3.37Å; L572-S575 WeakPolarHBondContact O-CB 3.39Å; L572-S575 PolarHBondContact O-N 2.56Å; L572-R603 HydrophobicContact CD1-CB 3.88Å; L572-R603 HydrophobicContact CD1-CG 4.09Å; L572-Q606 HydrophobicContact CD1-CB 4.37Å; L572-Q606 HydrophobicContact CD2-CB 3.54Å; L572-I607 HydrophobicContact CD2-CB 4.22Å; L572-I607 HydrophobicContact CD2-CD1 4.49Å; L572-I607 HydrophobicContact CD2-CG1 3.36Å; L572-I607 HydrophobicContact CG-CD1 4.17Å; L572-I607 HydrophobicContact CG-CG1 3.53Å
573	D	91.6	Very high	95	Very high	79 Å²	79	37.5 Å²	37.5	42%	0.422	21%	0.208	S	C	.	.	H	α-helix	trans	-63.1	-29.1	177.5	-74	-26.7	0	0	0	112.4	R408 D569	R408-D573 WeakPolarHBondContact CD-OD1 3.37Å; R408-D573 IonicContact NH1-OD2 2.96Å; D569-D573 PolarHBondContact O-N 3.24Å
574	G	91.1	Very high	94.8	Very high	43 Å²	43	38.6 Å²	38.6	44%	0.443	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-0.9	173.6	0	0	0	0	0	115.1	R570 L571 L572 P576	R570-G574 PolarHBondContact O-N 3.31Å; L571-G574 PolarHBondContact O-N 3.3Å; L572-G574 PolarHBondContact O-N 3.37Å; G574-P576 CarbonylContact O-C 3.59Å
575	S	92.3	Very high	94.8	Very high	25 Å²	25	38.7 Å²	38.7	18%	0.175	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-76.4	145.1	-176.8	-70	0	0	0	0	112.6	L571 L572 N611	L571-S575 PolarHBondContact O-N 3.26Å; L571-S575 PolarHBondContact O-OG 2.83Å; L572-S575 WeakPolarHBondContact O-CB 3.39Å; L572-S575 PolarHBondContact O-N 2.56Å; S575-N611 PolarHBondContact OG-ND2 3.13Å
576	P	94.9	Very high	94.7	Very high	103 Å²	103	39.1 Å²	39.1	67%	0.669	22%	0.22	S	C	*	.	S	Bend	cis	-71.6	136.2	0.6	29.8	-34.7	0	0	0	112.9	G574 N611	G574-P576 CarbonylContact O-C 3.59Å; P576-N611 WeakPolarHBondContact CA-OD1 3.34Å
577	L	94.6	Very high	94.6	Very high	22 Å²	22	48 Å²	48	12%	0.115	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-86.9	159.2	176.2	-57.7	172.8	0	0	0	110.7	L571 Q579 V581 V582 L585 I607 N611	L571-L577 HydrophobicContact CB-CD1 4.28Å; L571-L577 HydrophobicContact CD2-CD1 4.13Å; L577-Q579 PolarHBondContact O-N 3.21Å; L577-V581 HydrophobicContact CD1-CG1 4.39Å; L577-V582 HydrophobicContact CB-CG2 3.8Å; L577-V582 HydrophobicContact CD1-CG2 4.32Å; L577-L585 HydrophobicContact CD1-CD1 4.14Å; L577-I607 HydrophobicContact CD1-CG2 4.26Å; L577-N611 WeakPolarHBondContact CA-OD1 3.44Å; L577-N611 PolarHBondContact N-OD1 3.49Å; L577-N611 PolarHBondContact O-OD1 3.49Å
578	P	94.2	Very high	94.5	Very high	68 Å²	68	50.5 Å²	50.5	44%	0.442	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-55.9	139.6	170.4	-24	33.7	0	0	0	112.1	E580 V581 V582	P578-E580 HydrophobicContact CB-CG 4.18Å; P578-E580 PolarHBondContact O-N 3.05Å; P578-E580 VanDerWaalsContact O-N 3.16Å; P578-V581 HydrophobicContact CB-CG2 4.02Å; P578-V581 HydrophobicContact CG-CG2 4.17Å; P578-V581 WeakPolarHBondContact O-CB 3.28Å; P578-V581 PolarHBondContact O-N 3.12Å; P578-V582 PolarHBondContact O-N 3.2Å
579	Q	92.9	Very high	94.4	Very high	149 Å²	149	50.9 Å²	50.9	70%	0.696	28%	0.277	S	S	*	.	H	α-helix	trans	-56.4	-37.9	-174.8	-172.1	178.3	11.8	0	0	112.9	L577 V581 V582 M583	L577-Q579 PolarHBondContact O-N 3.21Å; Q579-V581 VanDerWaalsContact C-N 3.3Å; Q579-V581 PolarHBondContact O-N 3.34Å; Q579-V582 PolarHBondContact O-N 3.41Å; Q579-M583 HydrophobicContact CG-CG 4.46Å; Q579-M583 HydrophobicContact CG-SD 4.11Å; Q579-M583 WeakPolarHBondContact O-CB 3.48Å; Q579-M583 VanDerWaalsContact O-CG 3.28Å; Q579-M583 WeakPolarHBondContact O-CG 3.25Å; Q579-M583 PolarHBondContact O-N 3.05Å
580	E	92.1	Very high	94.4	Very high	106 Å²	106	51 Å²	51	50%	0.495	28%	0.279	S	S	.	.	H	α-helix	trans	-62.2	-34.7	176.7	61.2	-177.4	-169	0	0	113.4	L544 P578 S584	L544-E580 HydrophobicContact CD2-CB 4.43Å; L544-E580 HydrophobicContact CD2-CG 4.06Å; P578-E580 HydrophobicContact CB-CG 4.18Å; P578-E580 PolarHBondContact O-N 3.05Å; P578-E580 VanDerWaalsContact O-N 3.16Å; E580-S584 WeakPolarHBondContact O-CB 3.32Å; E580-S584 PolarHBondContact O-N 2.88Å; E580-S584 VanDerWaalsContact O-N 3.09Å; E580-S584 PolarHBondContact O-OG 2.92Å
581	V	94.8	Very high	94.4	Very high	8 Å²	8	53 Å²	53	5%	0.048	30%	0.3	C	S	.	.	H	α-helix	trans	-68.3	-51.2	176.7	177.6	0	0	0	0	109.2	L544 L577 P578 Q579 M583 S584 L585	L544-V581 HydrophobicContact CD1-CG2 4.44Å; L544-V581 HydrophobicContact CD2-CB 4.36Å; L544-V581 HydrophobicContact CD2-CG2 3.77Å; L577-V581 HydrophobicContact CD1-CG1 4.39Å; P578-V581 HydrophobicContact CB-CG2 4.02Å; P578-V581 HydrophobicContact CG-CG2 4.17Å; P578-V581 WeakPolarHBondContact O-CB 3.28Å; P578-V581 PolarHBondContact O-N 3.12Å; Q579-V581 VanDerWaalsContact C-N 3.3Å; Q579-V581 PolarHBondContact O-N 3.34Å; V581-M583 VanDerWaalsContact C-N 3.34Å; V581-M583 PolarHBondContact O-N 3Å; V581-S584 PolarHBondContact O-N 3.43Å; V581-S584 VanDerWaalsContact O-N 3.13Å; V581-L585 HydrophobicContact CG1-CD1 3.76Å; V581-L585 HydrophobicContact CG1-CG 4.18Å; V581-L585 WeakPolarHBondContact O-CB 3.29Å; V581-L585 VanDerWaalsContact O-CG 3.32Å; V581-L585 WeakPolarHBondContact O-CG 3.05Å; V581-L585 PolarHBondContact O-N 3.06Å
582	V	95.6	Very high	94.4	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.012	31%	0.312	C	S	.	.	H	α-helix	trans	-61.8	-42.2	-179.1	-176.3	0	0	0	0	111.6	L577 P578 Q579 S584 L585 S586 N611 Y613	L577-V582 HydrophobicContact CB-CG2 3.8Å; L577-V582 HydrophobicContact CD1-CG2 4.32Å; P578-V582 PolarHBondContact O-N 3.2Å; Q579-V582 PolarHBondContact O-N 3.41Å; V582-S584 VanDerWaalsContact C-N 3.32Å; V582-S584 PolarHBondContact O-N 2.87Å; V582-L585 PolarHBondContact O-N 3.13Å; V582-S586 VanDerWaalsContact O-CB 3.29Å; V582-S586 WeakPolarHBondContact O-CB 3.31Å; V582-S586 PolarHBondContact O-N 3.21Å; V582-N611 HydrophobicContact CG1-CB 4.41Å; V582-N611 HydrophobicContact CG2-CB 3.98Å; V582-N611 WeakPolarHBondContact CG2-OD1 3.37Å; V582-Y613 HydrophobicContact CG1-CD1 4.04Å; V582-Y613 HydrophobicContact CG1-CD2 3.89Å; V582-Y613 HydrophobicContact CG1-CE2 4.44Å; V582-Y613 HydrophobicContact CG1-CG 3.66Å
583	M	95.1	Very high	94.6	Very high	95 Å²	95	55 Å²	55	47%	0.468	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-44.1	174.8	-76.5	177.2	61.5	0	0	111.9	Q579 V581 K587 Y613	Q579-M583 HydrophobicContact CG-CG 4.46Å; Q579-M583 HydrophobicContact CG-SD 4.11Å; Q579-M583 WeakPolarHBondContact O-CB 3.48Å; Q579-M583 VanDerWaalsContact O-CG 3.28Å; Q579-M583 WeakPolarHBondContact O-CG 3.25Å; Q579-M583 PolarHBondContact O-N 3.05Å; V581-M583 VanDerWaalsContact C-N 3.34Å; V581-M583 PolarHBondContact O-N 3Å; M583-K587 WeakPolarHBondContact O-CB 3.43Å; M583-K587 PolarHBondContact O-N 3.1Å; M583-Y613 HydrophobicContact CG-CE2 3.73Å
584	S	94.7	Very high	94.7	Very high	36 Å²	36	52.8 Å²	52.8	25%	0.252	30%	0.299	S	S	.	.	H	α-helix	trans	-70.8	-42	-179.3	-60.6	0	0	0	0	112.1	E580 V581 V582 K587 C588	E580-S584 WeakPolarHBondContact O-CB 3.32Å; E580-S584 PolarHBondContact O-N 2.88Å; E580-S584 VanDerWaalsContact O-N 3.09Å; E580-S584 PolarHBondContact O-OG 2.92Å; V581-S584 PolarHBondContact O-N 3.43Å; V581-S584 VanDerWaalsContact O-N 3.13Å; V582-S584 VanDerWaalsContact C-N 3.32Å; V582-S584 PolarHBondContact O-N 2.87Å; S584-K587 PolarHBondContact O-N 2.86Å; S584-C588 WeakPolarHBondContact O-CB 3.37Å; S584-C588 PolarHBondContact O-N 2.72Å; S584-C588 PolarHBondContact O-SG 2.72Å
585	L	95.9	Very high	94.9	Very high	2 Å²	2	55 Å²	55	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-59	-48.2	172.8	-73.9	171.9	0	0	0	111.3	W539 F567 L571 L577 V581 V582 K587 C588 Y589 W604	W539-L585 HydrophobicContact CD2-CD2 3.53Å; W539-L585 HydrophobicContact CD2-CG 4.18Å; W539-L585 HydrophobicContact CE3-CD2 4.06Å; W539-L585 HydrophobicContact CE3-CG 4.22Å; W539-L585 HydrophobicContact CG-CD2 3.74Å; W539-L585 HydrophobicContact CZ2-CD2 4.13Å; F567-L585 HydrophobicContact CZ-CD2 4.1Å; L571-L585 HydrophobicContact CD1-CD1 3.84Å; L571-L585 HydrophobicContact CD1-CD2 4.14Å; L571-L585 HydrophobicContact CD2-CD1 4.34Å; L577-L585 HydrophobicContact CD1-CD1 4.14Å; V581-L585 HydrophobicContact CG1-CD1 3.76Å; V581-L585 HydrophobicContact CG1-CG 4.18Å; V581-L585 WeakPolarHBondContact O-CB 3.29Å; V581-L585 VanDerWaalsContact O-CG 3.32Å; V581-L585 WeakPolarHBondContact O-CG 3.05Å; V581-L585 PolarHBondContact O-N 3.06Å; V582-L585 PolarHBondContact O-N 3.13Å; L585-K587 VanDerWaalsContact C-N 3.34Å; L585-K587 PolarHBondContact O-N 3.4Å; L585-C588 PolarHBondContact O-N 3.02Å; L585-Y589 HydrophobicContact CD2-CD2 3.87Å; L585-Y589 HydrophobicContact CD2-CE2 3.79Å; L585-Y589 PolarHBondContact O-N 3.42Å; L585-W604 HydrophobicContact CB-CH2 4.12Å; L585-W604 HydrophobicContact CB-CZ3 4.06Å
586	S	96.4	Very high	95	Very high	8 Å²	8	55.8 Å²	55.8	6%	0.056	31%	0.309	C	S	.	.	H	α-helix	trans	-59.3	-46.2	177.5	172.3	0	0	0	0	110.9	V582 C588 S590 D616	V582-S586 VanDerWaalsContact O-CB 3.29Å; V582-S586 WeakPolarHBondContact O-CB 3.31Å; V582-S586 PolarHBondContact O-N 3.21Å; S586-C588 VanDerWaalsContact C-N 3.32Å; S586-C588 PolarHBondContact O-N 3.16Å; S586-S590 WeakPolarHBondContact O-CB 3.21Å; S586-S590 PolarHBondContact O-N 3.12Å; S586-S590 PolarHBondContact O-OG 3.41Å; S586-D616 WeakPolarHBondContact CB-OD2 3.34Å; S586-D616 PolarHBondContact OG-OD2 3.16Å
587	K	94.9	Very high	94.9	Very high	190 Å²	190	51.9 Å²	51.9	83%	0.826	28%	0.282	S	S	*	.	H	α-helix	trans	-60.7	-38.5	177.2	-176.7	-179.1	176.1	-174.3	0	112.9	M583 S584 L585	M583-K587 WeakPolarHBondContact O-CB 3.43Å; M583-K587 PolarHBondContact O-N 3.1Å; S584-K587 PolarHBondContact O-N 2.86Å; L585-K587 VanDerWaalsContact C-N 3.34Å; L585-K587 PolarHBondContact O-N 3.4Å
588	C	94.9	Very high	94.8	Very high	52 Å²	52	50.9 Å²	50.9	35%	0.351	28%	0.277	S	S	.	.	H	α-helix	trans	-81.5	-40.9	-176.8	-63.7	0	0	0	0	112.7	W539 S584 L585 S586	W539-C588 HydrophobicContact CZ2-CB 4.36Å; S584-C588 WeakPolarHBondContact O-CB 3.37Å; S584-C588 PolarHBondContact O-N 2.72Å; S584-C588 PolarHBondContact O-SG 2.72Å; L585-C588 PolarHBondContact O-N 3.02Å; S586-C588 VanDerWaalsContact C-N 3.32Å; S586-C588 PolarHBondContact O-N 3.16Å
589	Y	96.3	Very high	94.7	Very high	10 Å²	10	47.7 Å²	47.7	4%	0.039	26%	0.257	C	S	.	.	H	α-helix	trans	-125.1	-20.7	-162.1	-51.7	-49.8	0	0	0	115.1	W539 A551 I556 F567 L585 S591 L592 L593	W539-Y589 AromaticContact CE2-CE2 3.68Å; W539-Y589 AromaticContact CZ2-CE2 3.63Å; W539-Y589 HydrophobicContact CZ2-CE2 3.63Å; W539-Y589 AromaticContact CZ2-CZ 3.91Å; W539-Y589 AromaticContact NE1-CE2 3.41Å; W539-Y589 AromaticContact NE1-CZ 3.78Å; W539-Y589 PolarHBondContact NE1-OH 2.82Å; A551-Y589 PolarHBondContact O-OH 3.25Å; A551-Y589 VanDerWaalsContact O-OH 3.06Å; I556-Y589 HydrophobicContact CD1-CD1 3.6Å; I556-Y589 HydrophobicContact CD1-CD2 4.43Å; I556-Y589 HydrophobicContact CD1-CE1 4.07Å; I556-Y589 HydrophobicContact CD1-CG 3.81Å; I556-Y589 HydrophobicContact CG1-CD1 3.94Å; I556-Y589 HydrophobicContact CG1-CE1 4.14Å; I556-Y589 HydrophobicContact CG2-CE1 4.34Å; F567-Y589 HydrophobicContact CE1-CE2 4.35Å; F567-Y589 HydrophobicContact CZ-CE2 4.43Å; L585-Y589 HydrophobicContact CD2-CD2 3.87Å; L585-Y589 HydrophobicContact CD2-CE2 3.79Å; L585-Y589 PolarHBondContact O-N 3.42Å; Y589-S591 VanDerWaalsContact C-N 3.26Å; Y589-S591 PolarHBondContact O-N 3.38Å; Y589-S591 VanDerWaalsContact O-N 3.1Å; Y589-L592 WeakPolarHBondContact O-CB 3.29Å; Y589-L592 PolarHBondContact O-N 2.82Å; Y589-L593 VanDerWaalsContact O-CG 3.32Å; Y589-L593 WeakPolarHBondContact O-CG 3.21Å; Y589-L593 PolarHBondContact O-N 3.27Å
590	S	95.4	Very high	94.9	Very high	12 Å²	12	40.6 Å²	40.6	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-54.5	-39.8	-171.6	63.8	0	0	0	0	113.5	S586 D594	S586-S590 WeakPolarHBondContact O-CB 3.21Å; S586-S590 PolarHBondContact O-N 3.12Å; S586-S590 PolarHBondContact O-OG 3.41Å; S590-D594 WeakPolarHBondContact O-CB 3.45Å; S590-D594 PolarHBondContact O-N 2.86Å
591	S	95.4	Very high	95.1	Very high	92 Å²	92	37 Å²	37	64%	0.643	21%	0.206	S	C	*	.	H	α-helix	trans	-68.1	-36.5	178.4	-172.2	0	0	0	0	112.9	Y589	Y589-S591 VanDerWaalsContact C-N 3.26Å; Y589-S591 PolarHBondContact O-N 3.38Å; Y589-S591 VanDerWaalsContact O-N 3.1Å
592	L	96.2	Very high	95.1	Very high	50 Å²	50	37 Å²	37	26%	0.262	21%	0.205	S	C	.	.	H	α-helix	trans	-70.9	-50.1	176.5	174.4	62.2	0	0	0	109.6	I556 Y589 D594 S595 M596	I556-L592 HydrophobicContact CD1-CD2 4.16Å; I556-L592 HydrophobicContact CG1-CD2 3.54Å; Y589-L592 WeakPolarHBondContact O-CB 3.29Å; Y589-L592 PolarHBondContact O-N 2.82Å; L592-D594 VanDerWaalsContact C-N 3.28Å; L592-D594 PolarHBondContact O-N 3.17Å; L592-S595 PolarHBondContact O-N 3.16Å; L592-S595 PolarHBondContact O-OG 3.16Å; L592-M596 HydrophobicContact CG-SD 4.45Å; L592-M596 WeakPolarHBondContact O-CG 3.48Å; L592-M596 PolarHBondContact O-N 3.03Å
593	L	96.4	Very high	95.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-58	-38.7	-179.1	-64.5	172.7	0	0	0	112	I556 T564 L568 Y589 S595 M596 I600 R601 W604	I556-L593 HydrophobicContact CD1-CD2 4.33Å; T564-L593 HydrophobicContact CG2-CD2 3.98Å; L568-L593 HydrophobicContact CD1-CD2 4.07Å; L568-L593 HydrophobicContact CD2-CD1 4.21Å; Y589-L593 VanDerWaalsContact O-CG 3.32Å; Y589-L593 WeakPolarHBondContact O-CG 3.21Å; Y589-L593 PolarHBondContact O-N 3.27Å; L593-S595 PolarHBondContact O-N 3.3Å; L593-M596 HydrophobicContact CD2-SD 4.04Å; L593-M596 PolarHBondContact O-N 3.3Å; L593-M596 VanDerWaalsContact O-N 3.13Å; L593-I600 HydrophobicContact CD2-CG2 3.64Å; L593-R601 WeakPolarHBondContact O-CG 3.24Å; L593-W604 HydrophobicContact CB-CB 4.33Å; L593-W604 HydrophobicContact CB-CG 4.22Å; L593-W604 HydrophobicContact CD1-CB 3.97Å; L593-W604 HydrophobicContact CD1-CD2 3.65Å; L593-W604 HydrophobicContact CD1-CE3 3.76Å; L593-W604 HydrophobicContact CD1-CG 3.72Å
594	D	94.9	Very high	95.3	Very high	34 Å²	34	32.8 Å²	32.8	18%	0.182	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.1	177.3	-167.9	49	0	0	0	114	S590 L592 R601 R619	S590-D594 WeakPolarHBondContact O-CB 3.45Å; S590-D594 PolarHBondContact O-N 2.86Å; L592-D594 VanDerWaalsContact C-N 3.28Å; L592-D594 PolarHBondContact O-N 3.17Å; D594-R601 WeakPolarHBondContact O-CD 3.41Å; D594-R601 PolarHBondContact O-NE 3.24Å; D594-R601 IonicContact OD1-CZ 3.17Å; D594-R601 IonicContact OD1-NE 2.71Å; D594-R601 IonicContact OD1-NH2 2.72Å; D594-R619 IonicContact OD2-NH1 3.65Å; D594-R619 PolarHBondContact OD2-NH1 3.37Å
595	S	94.1	Very high	95.4	Very high	90 Å²	90	31.2 Å²	31.2	63%	0.629	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-8	175.4	73.2	0	0	0	0	114.1	L592 L593	L592-S595 PolarHBondContact O-N 3.16Å; L592-S595 PolarHBondContact O-OG 3.16Å; L593-S595 PolarHBondContact O-N 3.3Å
596	M	94.9	Very high	95.5	Very high	41 Å²	41	32.2 Å²	32.2	20%	0.202	18%	0.177	C	C	.	.	S	Bend	trans	-82.3	176.1	179.6	-63.1	-176.4	78.3	0	0	111.4	T564 L592 L593 I600 R601	T564-M596 HydrophobicContact CG2-CE 4.13Å; T564-M596 HydrophobicContact CG2-SD 4.19Å; L592-M596 HydrophobicContact CG-SD 4.45Å; L592-M596 WeakPolarHBondContact O-CG 3.48Å; L592-M596 PolarHBondContact O-N 3.03Å; L593-M596 HydrophobicContact CD2-SD 4.04Å; L593-M596 PolarHBondContact O-N 3.3Å; L593-M596 VanDerWaalsContact O-N 3.13Å; M596-I600 HydrophobicContact CB-CB 3.93Å; M596-I600 HydrophobicContact CB-CG1 4.42Å; M596-I600 HydrophobicContact CB-CG2 3.96Å; M596-I600 HydrophobicContact CE-CG1 4.06Å; M596-I600 HydrophobicContact CE-CG2 4.26Å; M596-I600 HydrophobicContact CG-CG2 4.44Å; M596-I600 HydrophobicContact SD-CB 4.49Å; M596-I600 HydrophobicContact SD-CG2 3.74Å; M596-R601 WeakPolarHBondContact O-CD 3.4Å
597	N	93.9	Very high	95.5	Very high	20 Å²	20	31.9 Å²	31.9	11%	0.107	17%	0.174	C	C	.	.			trans	-66.5	165.2	179.9	65.5	67.2	0	0	0	112.9	E341 T561 E599 I600 R601	E341-N597 HydrophobicContact CB-CB 4.04Å; E341-N597 VanDerWaalsContact O-CB 3.3Å; E341-N597 WeakPolarHBondContact O-CB 3.41Å; T561-N597 WeakPolarHBondContact CG2-ND2 3.33Å; N597-E599 VanDerWaalsContact C-N 3.27Å; N597-E599 PolarHBondContact O-N 2.81Å; N597-E599 WeakPolarHBondContact OD1-CA 3.43Å; N597-E599 VanDerWaalsContact OD1-CB 3.23Å; N597-E599 WeakPolarHBondContact OD1-CB 3.26Å; N597-E599 PolarHBondContact OD1-N 3.11Å; N597-I600 PolarHBondContact O-N 2.93Å; N597-I600 VanDerWaalsContact O-N 3.1Å; N597-I600 PolarHBondContact OD1-N 3.15Å; N597-R601 WeakPolarHBondContact O-CG 3.43Å; N597-R601 PolarHBondContact O-N 3.04Å
598	A	92.6	Very high	95.6	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-53.4	-36.3	-179.7	0	0	0	0	0	114.9	E341 I600 R601 I602 F623 Y632	E341-A598 WeakPolarHBondContact OE2-CB 3.33Å; E341-A598 PolarHBondContact OE2-N 3.26Å; E341-A598 VanDerWaalsContact OE2-N 3.08Å; A598-I600 VanDerWaalsContact C-N 3.29Å; A598-I600 PolarHBondContact O-N 2.95Å; A598-R601 PolarHBondContact O-N 3.25Å; A598-I602 VanDerWaalsContact O-CG2 3.27Å; A598-I602 WeakPolarHBondContact O-CG2 3.35Å; A598-I602 PolarHBondContact O-N 3.41Å; A598-F623 HydrophobicContact CB-CE2 4.29Å; A598-F623 HydrophobicContact CB-CZ 4.46Å; A598-Y632 HydrophobicContact CB-CD1 4.45Å; A598-Y632 HydrophobicContact CB-CD2 4.16Å; A598-Y632 HydrophobicContact CB-CE1 4.09Å; A598-Y632 HydrophobicContact CB-CE2 3.72Å; A598-Y632 HydrophobicContact CB-CG 4.48Å
599	E	91.7	Very high	95.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-62.4	-35.2	178.7	-63.9	-65.8	156.6	0	0	112.5	F345 N597 I602 R603 Y632	F345-E599 HydrophobicContact CD1-CG 4.27Å; F345-E599 HydrophobicContact CD2-CB 4.27Å; F345-E599 HydrophobicContact CD2-CG 3.85Å; F345-E599 HydrophobicContact CE1-CG 4.23Å; F345-E599 HydrophobicContact CE2-CB 3.76Å; F345-E599 HydrophobicContact CE2-CG 3.75Å; F345-E599 HydrophobicContact CG-CG 4.07Å; F345-E599 HydrophobicContact CZ-CB 4.04Å; F345-E599 HydrophobicContact CZ-CG 3.95Å; N597-E599 VanDerWaalsContact C-N 3.27Å; N597-E599 PolarHBondContact O-N 2.81Å; N597-E599 WeakPolarHBondContact OD1-CA 3.43Å; N597-E599 VanDerWaalsContact OD1-CB 3.23Å; N597-E599 WeakPolarHBondContact OD1-CB 3.26Å; N597-E599 PolarHBondContact OD1-N 3.11Å; E599-I602 VanDerWaalsContact O-CG2 3.27Å; E599-I602 WeakPolarHBondContact O-CG2 3.32Å; E599-R603 WeakPolarHBondContact O-CD 3.39Å; E599-R603 PolarHBondContact O-NH1 3.36Å; E599-R603 IonicContact OE2-NH1 3.91Å; E599-R603 PolarHBondContact OE2-NH1 3.48Å; E599-Y632 HydrophobicContact CG-CE1 4.37Å; E599-Y632 VanDerWaalsContact OE1-CE1 3.23Å; E599-Y632 WeakPolarHBondContact OE1-CE1 3.28Å; E599-Y632 VanDerWaalsContact OE1-CZ 3.31Å; E599-Y632 PolarHBondContact OE1-OH 2.82Å
600	I	96	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-81.9	-42.1	176.8	-61.3	-54	0	0	0	111.2	T561 T564 A565 L568 L593 M596 N597 A598 I602 R603 W604	T561-I600 HydrophobicContact CG2-CD1 3.9Å; T561-I600 HydrophobicContact CG2-CG1 3.94Å; T564-I600 HydrophobicContact CG2-CD1 4.03Å; T564-I600 HydrophobicContact CG2-CG1 4.47Å; T564-I600 HydrophobicContact CG2-CG2 3.81Å; A565-I600 HydrophobicContact CB-CD1 3.83Å; L568-I600 HydrophobicContact CD1-CG2 3.77Å; L593-I600 HydrophobicContact CD2-CG2 3.64Å; M596-I600 HydrophobicContact CB-CB 3.93Å; M596-I600 HydrophobicContact CB-CG1 4.42Å; M596-I600 HydrophobicContact CB-CG2 3.96Å; M596-I600 HydrophobicContact CE-CG1 4.06Å; M596-I600 HydrophobicContact CE-CG2 4.26Å; M596-I600 HydrophobicContact CG-CG2 4.44Å; M596-I600 HydrophobicContact SD-CB 4.49Å; M596-I600 HydrophobicContact SD-CG2 3.74Å; N597-I600 PolarHBondContact O-N 2.93Å; N597-I600 VanDerWaalsContact O-N 3.1Å; N597-I600 PolarHBondContact OD1-N 3.15Å; A598-I600 VanDerWaalsContact C-N 3.29Å; A598-I600 PolarHBondContact O-N 2.95Å; I600-I602 PolarHBondContact O-N 2.95Å; I600-R603 PolarHBondContact O-N 3.31Å; I600-W604 PolarHBondContact O-N 3.36Å
601	R	96.6	Very high	95.7	Very high	32 Å²	32	25.4 Å²	25.4	12%	0.121	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-45.8	-178.6	-72.9	175.2	70.2	-146.3	2.9	111.3	L593 D594 M596 N597 A598 R603 W604 L605 F623	L593-R601 WeakPolarHBondContact O-CG 3.24Å; D594-R601 WeakPolarHBondContact O-CD 3.41Å; D594-R601 PolarHBondContact O-NE 3.24Å; D594-R601 IonicContact OD1-CZ 3.17Å; D594-R601 IonicContact OD1-NE 2.71Å; D594-R601 IonicContact OD1-NH2 2.72Å; M596-R601 WeakPolarHBondContact O-CD 3.4Å; N597-R601 WeakPolarHBondContact O-CG 3.43Å; N597-R601 PolarHBondContact O-N 3.04Å; A598-R601 PolarHBondContact O-N 3.25Å; R601-R603 VanDerWaalsContact C-N 3.31Å; R601-R603 PolarHBondContact O-N 3Å; R601-W604 PolarHBondContact O-N 3.07Å; R601-L605 WeakPolarHBondContact O-CB 3.41Å; R601-L605 WeakPolarHBondContact O-CG 3.38Å; R601-L605 PolarHBondContact O-N 2.7Å; R601-F623 HydrophobicContact CB-CD2 4.11Å; R601-F623 HydrophobicContact CB-CE2 3.87Å
602	I	95.3	Very high	95.7	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.031	13%	0.125	C	C	.	.	H	α-helix	trans	-56.1	-46.2	179.9	-177.2	55.5	0	0	0	111.7	A598 E599 I600 W604 L605 Q606 F623 Y632 L636	A598-I602 VanDerWaalsContact O-CG2 3.27Å; A598-I602 WeakPolarHBondContact O-CG2 3.35Å; A598-I602 PolarHBondContact O-N 3.41Å; E599-I602 VanDerWaalsContact O-CG2 3.27Å; E599-I602 WeakPolarHBondContact O-CG2 3.32Å; I600-I602 PolarHBondContact O-N 2.95Å; I602-W604 PolarHBondContact O-N 3.08Å; I602-L605 PolarHBondContact O-N 2.97Å; I602-L605 VanDerWaalsContact O-N 3.12Å; I602-Q606 HydrophobicContact CD1-CG 4.08Å; I602-Q606 HydrophobicContact CG1-CG 4.36Å; I602-Q606 WeakPolarHBondContact O-CG 3.29Å; I602-Q606 PolarHBondContact O-N 3.32Å; I602-F623 HydrophobicContact CB-CE1 4.43Å; I602-F623 HydrophobicContact CB-CZ 4.15Å; I602-F623 HydrophobicContact CD1-CE1 4.09Å; I602-Y632 HydrophobicContact CB-CD1 4.2Å; I602-Y632 VanDerWaalsContact CD1-O 3.27Å; I602-Y632 WeakPolarHBondContact CD1-O 3.31Å; I602-Y632 HydrophobicContact CG2-CD1 4.01Å; I602-Y632 HydrophobicContact CG2-CE1 4.47Å; I602-L636 HydrophobicContact CD1-CB 3.77Å; I602-L636 HydrophobicContact CD1-CD1 4.26Å; I602-L636 HydrophobicContact CD1-CD2 4.01Å; I602-L636 HydrophobicContact CD1-CG 4.25Å
603	R	96.4	Very high	95.6	Very high	5 Å²	5	23.6 Å²	23.6	2%	0.019	12%	0.119	C	C	.	.	H	α-helix	trans	-61	-46.9	-179.1	-68.8	165.9	165.9	72.9	10.8	112.1	F401 L568 D569 L572 E599 I600 R601 L605 Q606 I607 A724	F401-R603 VanDerWaalsContact CE2-NH2 3.32Å; F401-R603 VanDerWaalsContact CZ-NH2 3.33Å; L568-R603 HydrophobicContact CB-CB 3.8Å; L568-R603 HydrophobicContact CD1-CB 3.92Å; D569-R603 VanDerWaalsContact OD1-CD 3.23Å; D569-R603 WeakPolarHBondContact OD1-CD 3.4Å; D569-R603 IonicContact OD1-CZ 2.65Å; D569-R603 IonicContact OD1-NE 3.46Å; D569-R603 PolarHBondContact OD1-NE 2.84Å; D569-R603 IonicContact OD1-NH2 3.67Å; D569-R603 IonicContact OD2-NE 3.22Å; D569-R603 IonicContact OD2-NH2 3.74Å; L572-R603 HydrophobicContact CD1-CB 3.88Å; L572-R603 HydrophobicContact CD1-CG 4.09Å; E599-R603 WeakPolarHBondContact O-CD 3.39Å; E599-R603 PolarHBondContact O-NH1 3.36Å; E599-R603 IonicContact OE2-NH1 3.91Å; E599-R603 PolarHBondContact OE2-NH1 3.48Å; I600-R603 PolarHBondContact O-N 3.31Å; R601-R603 VanDerWaalsContact C-N 3.31Å; R601-R603 PolarHBondContact O-N 3Å; R603-L605 VanDerWaalsContact C-N 3.32Å; R603-L605 PolarHBondContact O-N 3.11Å; R603-Q606 PolarHBondContact O-N 3.15Å; R603-I607 WeakPolarHBondContact O-CG1 3.48Å; R603-I607 PolarHBondContact O-N 3.22Å; R603-A724 PolarHBondContact NH2-OXT 3.39Å
604	W	97.7	Very high	95.6	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-60	-43.1	174.8	173.8	-115.5	0	0	0	112	L568 L585 L593 I600 R601 I602 Q606 I607 V608 D616	L568-W604 HydrophobicContact CD2-CE3 4.49Å; L585-W604 HydrophobicContact CB-CH2 4.12Å; L585-W604 HydrophobicContact CB-CZ3 4.06Å; L593-W604 HydrophobicContact CB-CB 4.33Å; L593-W604 HydrophobicContact CB-CG 4.22Å; L593-W604 HydrophobicContact CD1-CB 3.97Å; L593-W604 HydrophobicContact CD1-CD2 3.65Å; L593-W604 HydrophobicContact CD1-CE3 3.76Å; L593-W604 HydrophobicContact CD1-CG 3.72Å; I600-W604 PolarHBondContact O-N 3.36Å; R601-W604 PolarHBondContact O-N 3.07Å; I602-W604 PolarHBondContact O-N 3.08Å; W604-Q606 VanDerWaalsContact C-N 3.34Å; W604-Q606 PolarHBondContact O-N 3.32Å; W604-I607 HydrophobicContact CE3-CB 4.34Å; W604-I607 HydrophobicContact CE3-CD1 4.21Å; W604-I607 HydrophobicContact CE3-CG2 4.5Å; W604-I607 HydrophobicContact CZ3-CG2 4.2Å; W604-I607 WeakPolarHBondContact O-CB 3.44Å; W604-I607 PolarHBondContact O-N 3.04Å; W604-I607 VanDerWaalsContact O-N 3.14Å; W604-V608 HydrophobicContact CD2-CG2 4.28Å; W604-V608 HydrophobicContact CH2-CG2 4.5Å; W604-V608 HydrophobicContact CZ2-CG2 3.82Å; W604-V608 WeakPolarHBondContact O-CG2 3.38Å; W604-V608 PolarHBondContact O-N 2.98Å; W604-D616 WeakPolarHBondContact CZ2-OD2 3.47Å
605	L	97.8	Very high	95.6	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-69	-33.2	-179	-64.1	173.9	0	0	0	112.2	R601 I602 R603 I607 V608 V609 R619 V620 F623 L636	R601-L605 WeakPolarHBondContact O-CB 3.41Å; R601-L605 WeakPolarHBondContact O-CG 3.38Å; R601-L605 PolarHBondContact O-N 2.7Å; I602-L605 PolarHBondContact O-N 2.97Å; I602-L605 VanDerWaalsContact O-N 3.12Å; R603-L605 VanDerWaalsContact C-N 3.32Å; R603-L605 PolarHBondContact O-N 3.11Å; L605-I607 VanDerWaalsContact C-N 3.34Å; L605-V608 WeakPolarHBondContact O-CB 3.49Å; L605-V608 PolarHBondContact O-N 3.04Å; L605-V609 WeakPolarHBondContact O-CG2 3.34Å; L605-V609 PolarHBondContact O-N 2.63Å; L605-R619 HydrophobicContact CD2-CB 3.74Å; L605-V620 HydrophobicContact CB-CG2 4.31Å; L605-V620 HydrophobicContact CD2-CG2 3.84Å; L605-F623 HydrophobicContact CD1-CB 3.33Å; L605-F623 HydrophobicContact CD1-CD1 3.79Å; L605-F623 HydrophobicContact CD1-CD2 3.82Å; L605-F623 HydrophobicContact CD1-CG 3.37Å; L605-L636 HydrophobicContact CB-CD1 4.23Å; L605-L636 HydrophobicContact CB-CD2 4.49Å
606	Q	97	Very high	95.8	Very high	24 Å²	24	28.8 Å²	28.8	11%	0.112	13%	0.134	C	C	.	.	H	α-helix	trans	-64.5	-38.6	169.9	-70.2	-176.7	-79.1	0	0	111.4	L572 I602 R603 W604 V608 V609 R610 L636 D639	L572-Q606 HydrophobicContact CD1-CB 4.37Å; L572-Q606 HydrophobicContact CD2-CB 3.54Å; I602-Q606 HydrophobicContact CD1-CG 4.08Å; I602-Q606 HydrophobicContact CG1-CG 4.36Å; I602-Q606 WeakPolarHBondContact O-CG 3.29Å; I602-Q606 PolarHBondContact O-N 3.32Å; R603-Q606 PolarHBondContact O-N 3.15Å; W604-Q606 VanDerWaalsContact C-N 3.34Å; W604-Q606 PolarHBondContact O-N 3.32Å; Q606-V608 VanDerWaalsContact C-N 3.35Å; Q606-V609 PolarHBondContact O-N 3.49Å; Q606-R610 WeakPolarHBondContact O-CB 3.37Å; Q606-R610 VanDerWaalsContact O-CG 3.31Å; Q606-R610 WeakPolarHBondContact O-CG 3.49Å; Q606-R610 PolarHBondContact O-N 2.9Å; Q606-L636 HydrophobicContact CG-CD1 4.17Å; Q606-D639 WeakPolarHBondContact CB-OD2 3.46Å; Q606-D639 WeakPolarHBondContact CG-OD2 3.32Å; Q606-D639 PolarHBondContact NE2-OD2 3.29Å
607	I	97.1	Very high	95.8	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-48.5	172.1	-63.2	170.6	0	0	0	109	L568 L571 L572 L577 R603 W604 L605 V609 R610 N611	L568-I607 HydrophobicContact CB-CD1 4.41Å; L568-I607 HydrophobicContact CD2-CD1 3.93Å; L571-I607 HydrophobicContact CB-CD1 3.77Å; L571-I607 HydrophobicContact CD1-CD1 4.33Å; L572-I607 HydrophobicContact CD2-CB 4.22Å; L572-I607 HydrophobicContact CD2-CD1 4.49Å; L572-I607 HydrophobicContact CD2-CG1 3.36Å; L572-I607 HydrophobicContact CG-CD1 4.17Å; L572-I607 HydrophobicContact CG-CG1 3.53Å; L577-I607 HydrophobicContact CD1-CG2 4.26Å; R603-I607 WeakPolarHBondContact O-CG1 3.48Å; R603-I607 PolarHBondContact O-N 3.22Å; W604-I607 HydrophobicContact CE3-CB 4.34Å; W604-I607 HydrophobicContact CE3-CD1 4.21Å; W604-I607 HydrophobicContact CE3-CG2 4.5Å; W604-I607 HydrophobicContact CZ3-CG2 4.2Å; W604-I607 WeakPolarHBondContact O-CB 3.44Å; W604-I607 PolarHBondContact O-N 3.04Å; W604-I607 VanDerWaalsContact O-N 3.14Å; L605-I607 VanDerWaalsContact C-N 3.34Å; I607-V609 VanDerWaalsContact C-N 3.31Å; I607-V609 PolarHBondContact O-N 3.15Å; I607-R610 PolarHBondContact O-N 2.8Å; I607-N611 VanDerWaalsContact O-CB 3.27Å; I607-N611 WeakPolarHBondContact O-CB 3.22Å; I607-N611 PolarHBondContact O-N 3.19Å; I607-N611 VanDerWaalsContact O-N 3.13Å; I607-N611 PolarHBondContact O-ND2 3.05Å
608	V	97.3	Very high	95.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-55.6	-46	177.9	170.6	0	0	0	0	111.5	W604 L605 Q606 D612 Y613 D616 V620	W604-V608 HydrophobicContact CD2-CG2 4.28Å; W604-V608 HydrophobicContact CH2-CG2 4.5Å; W604-V608 HydrophobicContact CZ2-CG2 3.82Å; W604-V608 WeakPolarHBondContact O-CG2 3.38Å; W604-V608 PolarHBondContact O-N 2.98Å; L605-V608 WeakPolarHBondContact O-CB 3.49Å; L605-V608 PolarHBondContact O-N 3.04Å; Q606-V608 VanDerWaalsContact C-N 3.35Å; V608-D612 PolarHBondContact O-N 3.29Å; V608-Y613 WeakPolarHBondContact CG1-O 3.33Å; V608-Y613 PolarHBondContact O-N 2.89Å; V608-D616 HydrophobicContact CG1-CB 3.97Å; V608-D616 HydrophobicContact CG2-CB 3.81Å; V608-V620 HydrophobicContact CB-CG2 4.5Å; V608-V620 HydrophobicContact CG1-CG2 4.01Å
609	V	97.1	Very high	96.1	Very high	2 Å²	2	34 Å²	34	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-69.7	-49.2	-178.2	169.7	0	0	0	0	112	L605 Q606 I607 N611 D612 V620 L636 D639 L640 L645	L605-V609 WeakPolarHBondContact O-CG2 3.34Å; L605-V609 PolarHBondContact O-N 2.63Å; Q606-V609 PolarHBondContact O-N 3.49Å; I607-V609 VanDerWaalsContact C-N 3.31Å; I607-V609 PolarHBondContact O-N 3.15Å; V609-N611 PolarHBondContact O-N 3.01Å; V609-N611 VanDerWaalsContact O-N 3.13Å; V609-D612 PolarHBondContact O-N 2.93Å; V609-D612 VanDerWaalsContact O-N 3.09Å; V609-V620 HydrophobicContact CG2-CG1 4.02Å; V609-V620 HydrophobicContact CG2-CG2 3.98Å; V609-L636 HydrophobicContact CG2-CD1 3.87Å; V609-D639 HydrophobicContact CB-CB 4.48Å; V609-D639 HydrophobicContact CG1-CB 3.74Å; V609-L640 HydrophobicContact CB-CD2 4.43Å; V609-L640 HydrophobicContact CG1-CB 4.43Å; V609-L640 HydrophobicContact CG1-CD2 3.83Å; V609-L640 HydrophobicContact CG1-CG 3.98Å; V609-L640 HydrophobicContact CG2-CD2 3.66Å; V609-L640 HydrophobicContact CG2-CG 4.09Å; V609-L645 HydrophobicContact CG1-CD1 4.3Å; V609-L645 HydrophobicContact CG2-CD1 4.42Å
610	R	95.9	Very high	96.4	Very high	100 Å²	100	33.9 Å²	33.9	38%	0.377	16%	0.155	S	C	.	.	H	α-helix	trans	-64.7	-16.7	-179.8	-69.9	-179.2	179.9	-175.6	0.8	113.5	Q606 I607 D639	Q606-R610 WeakPolarHBondContact O-CB 3.37Å; Q606-R610 VanDerWaalsContact O-CG 3.31Å; Q606-R610 WeakPolarHBondContact O-CG 3.49Å; Q606-R610 PolarHBondContact O-N 2.9Å; I607-R610 PolarHBondContact O-N 2.8Å; R610-D639 HydrophobicContact CG-CB 4.42Å; R610-D639 IonicContact CZ-OD1 3.77Å; R610-D639 IonicContact CZ-OD2 3.29Å; R610-D639 VanDerWaalsContact NE-CG 3.3Å; R610-D639 IonicContact NE-OD1 3.52Å; R610-D639 PolarHBondContact NE-OD1 3.41Å; R610-D639 IonicContact NE-OD2 3.67Å; R610-D639 PolarHBondContact NE-OD2 3.35Å; R610-D639 IonicContact NH2-OD1 2.95Å; R610-D639 PolarHBondContact NH2-OD1 3.18Å; R610-D639 IonicContact NH2-OD2 3.12Å; R610-D639 PolarHBondContact NH2-OD2 3.01Å
611	N	95.6	Very high	96.4	Very high	26 Å²	26	36.3 Å²	36.3	14%	0.139	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	6.8	178.3	-72.2	-88.6	0	0	0	113.6	S575 P576 L577 V582 I607 V609 Y613	S575-N611 PolarHBondContact OG-ND2 3.13Å; P576-N611 WeakPolarHBondContact CA-OD1 3.34Å; L577-N611 WeakPolarHBondContact CA-OD1 3.44Å; L577-N611 PolarHBondContact N-OD1 3.49Å; L577-N611 PolarHBondContact O-OD1 3.49Å; V582-N611 HydrophobicContact CG1-CB 4.41Å; V582-N611 HydrophobicContact CG2-CB 3.98Å; V582-N611 WeakPolarHBondContact CG2-OD1 3.37Å; I607-N611 VanDerWaalsContact O-CB 3.27Å; I607-N611 WeakPolarHBondContact O-CB 3.22Å; I607-N611 PolarHBondContact O-N 3.19Å; I607-N611 VanDerWaalsContact O-N 3.13Å; I607-N611 PolarHBondContact O-ND2 3.05Å; V609-N611 PolarHBondContact O-N 3.01Å; V609-N611 VanDerWaalsContact O-N 3.13Å; N611-Y613 PolarHBondContact O-N 3.36Å; N611-Y613 VanDerWaalsContact O-N 3.1Å
612	D	94.9	Very high	96.4	Very high	68 Å²	68	42.2 Å²	42.2	36%	0.364	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	37.4	-175.9	-63.9	-49	0	0	0	113.2	V608 V609 Y614	V608-D612 PolarHBondContact O-N 3.29Å; V609-D612 PolarHBondContact O-N 2.93Å; V609-D612 VanDerWaalsContact O-N 3.09Å; D612-Y614 WeakPolarHBondContact O-CD2 3.48Å; D612-Y614 WeakPolarHBondContact O-CE2 3.48Å; D612-Y614 PolarHBondContact O-N 3.32Å
613	Y	95.6	Very high	96.5	Very high	35 Å²	35	42 Å²	42	14%	0.137	19%	0.186	C	C	.	.			trans	-84.9	83.4	-171.5	-172.4	-111.1	0	0	0	112.3	V582 M583 V608 N611 P615 D616	V582-Y613 HydrophobicContact CG1-CD1 4.04Å; V582-Y613 HydrophobicContact CG1-CD2 3.89Å; V582-Y613 HydrophobicContact CG1-CE2 4.44Å; V582-Y613 HydrophobicContact CG1-CG 3.66Å; M583-Y613 HydrophobicContact CG-CE2 3.73Å; V608-Y613 WeakPolarHBondContact CG1-O 3.33Å; V608-Y613 PolarHBondContact O-N 2.89Å; N611-Y613 PolarHBondContact O-N 3.36Å; N611-Y613 VanDerWaalsContact O-N 3.1Å; Y613-P615 HydrophobicContact CD1-CB 4.47Å; Y613-P615 HydrophobicContact CD2-CG 4.31Å; Y613-P615 HydrophobicContact CE1-CB 3.81Å; Y613-P615 HydrophobicContact CE1-CG 4.05Å; Y613-P615 HydrophobicContact CE2-CB 4.42Å; Y613-P615 HydrophobicContact CE2-CG 3.77Å; Y613-D616 HydrophobicContact CD1-CB 4.01Å; Y613-D616 HydrophobicContact CE1-CB 4.19Å; Y613-D616 PolarHBondContact O-N 3.29Å
614	Y	95	Very high	96.4	Very high	148 Å²	148	42 Å²	42	58%	0.58	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-49.5	-38.3	-177.3	-68.7	-85.6	0	0	0	116.9	D612 D616 L617 L645	D612-Y614 WeakPolarHBondContact O-CD2 3.48Å; D612-Y614 WeakPolarHBondContact O-CE2 3.48Å; D612-Y614 PolarHBondContact O-N 3.32Å; Y614-D616 PolarHBondContact O-N 3.02Å; Y614-L617 HydrophobicContact CD1-CD2 4.16Å; Y614-L617 VanDerWaalsContact O-CB 3.3Å; Y614-L617 WeakPolarHBondContact O-CB 3.5Å; Y614-L617 PolarHBondContact O-N 3.1Å; Y614-L617 VanDerWaalsContact O-N 3.09Å; Y614-L645 HydrophobicContact CE1-CD2 4.13Å
615	P	96.3	Very high	96.2	Very high	81 Å²	81	45.2 Å²	45.2	53%	0.526	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-57	-33.9	-177.5	-28.3	37.3	0	0	0	114.4	Y613 H618	Y613-P615 HydrophobicContact CD1-CB 4.47Å; Y613-P615 HydrophobicContact CD2-CG 4.31Å; Y613-P615 HydrophobicContact CE1-CB 3.81Å; Y613-P615 HydrophobicContact CE1-CG 4.05Å; Y613-P615 HydrophobicContact CE2-CB 4.42Å; Y613-P615 HydrophobicContact CE2-CG 3.77Å; P615-H618 PolarHBondContact O-CE1 3.32Å; P615-H618 PolarHBondContact O-ND1 3Å; P615-H618 VanDerWaalsContact O-ND1 3.07Å
616	D	96.4	Very high	95.8	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.037	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-99.1	4.1	179	-79.7	-33.9	0	0	0	114	S586 W604 V608 Y613 Y614 H618 R619	S586-D616 WeakPolarHBondContact CB-OD2 3.34Å; S586-D616 PolarHBondContact OG-OD2 3.16Å; W604-D616 WeakPolarHBondContact CZ2-OD2 3.47Å; V608-D616 HydrophobicContact CG1-CB 3.97Å; V608-D616 HydrophobicContact CG2-CB 3.81Å; Y613-D616 HydrophobicContact CD1-CB 4.01Å; Y613-D616 HydrophobicContact CE1-CB 4.19Å; Y613-D616 PolarHBondContact O-N 3.29Å; Y614-D616 PolarHBondContact O-N 3.02Å; D616-H618 PolarHBondContact O-N 3.44Å; D616-H618 VanDerWaalsContact O-N 3.14Å; D616-R619 VanDerWaalsContact O-CB 3.3Å; D616-R619 WeakPolarHBondContact O-CB 3.49Å; D616-R619 PolarHBondContact O-N 3.24Å; D616-R619 IonicContact OD1-CZ 3.62Å; D616-R619 IonicContact OD1-NE 3.58Å; D616-R619 PolarHBondContact OD1-NE 3.36Å
617	L	95.8	Very high	95.4	Very high	23 Å²	23	47.6 Å²	47.6	12%	0.12	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-28	-178.6	-171.7	62.5	0	0	0	113.2	Y614 R619 V620 R621 L645 F648	Y614-L617 HydrophobicContact CD1-CD2 4.16Å; Y614-L617 VanDerWaalsContact O-CB 3.3Å; Y614-L617 WeakPolarHBondContact O-CB 3.5Å; Y614-L617 PolarHBondContact O-N 3.1Å; Y614-L617 VanDerWaalsContact O-N 3.09Å; L617-R619 PolarHBondContact O-N 2.9Å; L617-V620 HydrophobicContact CD1-CB 4.21Å; L617-V620 HydrophobicContact CD1-CG2 4.13Å; L617-V620 WeakPolarHBondContact O-CB 3.37Å; L617-V620 PolarHBondContact O-N 2.77Å; L617-V620 VanDerWaalsContact O-N 3.17Å; L617-R621 PolarHBondContact O-N 2.89Å; L617-L645 HydrophobicContact CD1-CD1 3.81Å; L617-L645 HydrophobicContact CD1-CD2 4.46Å; L617-L645 HydrophobicContact CD2-CD2 4.03Å; L617-F648 HydrophobicContact CD1-CD1 4.16Å; L617-F648 HydrophobicContact CD1-CD2 4.35Å; L617-F648 HydrophobicContact CD1-CE1 3.86Å; L617-F648 HydrophobicContact CD1-CE2 4.05Å; L617-F648 HydrophobicContact CD1-CG 4.38Å; L617-F648 HydrophobicContact CD1-CZ 3.78Å; L617-F648 HydrophobicContact CD2-CD2 3.85Å; L617-F648 HydrophobicContact CD2-CE2 3.98Å; L617-F648 HydrophobicContact CD2-CG 4.31Å; L617-F648 HydrophobicContact CG-CD2 4.02Å; L617-F648 HydrophobicContact CG-CE1 4.38Å; L617-F648 HydrophobicContact CG-CE2 3.64Å; L617-F648 HydrophobicContact CG-CZ 3.83Å
618	H	96	Very high	95	Very high	111 Å²	111	49.5 Å²	49.5	51%	0.514	23%	0.229	S	C	.	.	H	α-helix	trans	-62.1	-28.4	174.2	73.6	-81.2	0	0	0	112.9	P615 D616 R622	P615-H618 PolarHBondContact O-CE1 3.32Å; P615-H618 PolarHBondContact O-ND1 3Å; P615-H618 VanDerWaalsContact O-ND1 3.07Å; D616-H618 PolarHBondContact O-N 3.44Å; D616-H618 VanDerWaalsContact O-N 3.14Å; H618-R622 PolarHBondContact O-N 2.99Å; H618-R622 VanDerWaalsContact O-N 3.13Å
619	R	97.1	Very high	94.6	Very high	36 Å²	36	49.5 Å²	49.5	14%	0.136	23%	0.228	C	C	.	.	H	α-helix	trans	-72.5	-37	175.8	-56	-178.9	-177.8	-89.2	8.8	111.3	D594 L605 D616 L617 R621 R622 F623	D594-R619 IonicContact OD2-NH1 3.65Å; D594-R619 PolarHBondContact OD2-NH1 3.37Å; L605-R619 HydrophobicContact CD2-CB 3.74Å; D616-R619 VanDerWaalsContact O-CB 3.3Å; D616-R619 WeakPolarHBondContact O-CB 3.49Å; D616-R619 PolarHBondContact O-N 3.24Å; D616-R619 IonicContact OD1-CZ 3.62Å; D616-R619 IonicContact OD1-NE 3.58Å; D616-R619 PolarHBondContact OD1-NE 3.36Å; L617-R619 PolarHBondContact O-N 2.9Å; R619-R621 VanDerWaalsContact C-N 3.34Å; R619-R621 PolarHBondContact O-N 2.97Å; R619-R622 PolarHBondContact O-N 3.33Å; R619-F623 WeakPolarHBondContact O-CB 3.47Å; R619-F623 PolarHBondContact O-N 2.78Å
620	V	97.3	Very high	94.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.7	-47.5	173.8	-176.4	0	0	0	0	109.9	L605 V608 V609 L617 F623 L624 L636 L640 F648	L605-V620 HydrophobicContact CB-CG2 4.31Å; L605-V620 HydrophobicContact CD2-CG2 3.84Å; V608-V620 HydrophobicContact CB-CG2 4.5Å; V608-V620 HydrophobicContact CG1-CG2 4.01Å; V609-V620 HydrophobicContact CG2-CG1 4.02Å; V609-V620 HydrophobicContact CG2-CG2 3.98Å; L617-V620 HydrophobicContact CD1-CB 4.21Å; L617-V620 HydrophobicContact CD1-CG2 4.13Å; L617-V620 WeakPolarHBondContact O-CB 3.37Å; L617-V620 PolarHBondContact O-N 2.77Å; L617-V620 VanDerWaalsContact O-N 3.17Å; V620-F623 PolarHBondContact O-N 3.41Å; V620-L624 HydrophobicContact CG1-CD1 4.32Å; V620-L624 PolarHBondContact O-N 2.96Å; V620-L624 VanDerWaalsContact O-N 3.09Å; V620-L636 HydrophobicContact CG1-CD1 4.29Å; V620-L636 HydrophobicContact CG1-CD2 4.01Å; V620-L636 HydrophobicContact CG1-CG 4.25Å; V620-L640 HydrophobicContact CG1-CD1 4.39Å; V620-L640 HydrophobicContact CG1-CD2 4.47Å; V620-F648 HydrophobicContact CB-CE1 4.28Å; V620-F648 HydrophobicContact CB-CZ 4.24Å; V620-F648 HydrophobicContact CG1-CE1 3.88Å; V620-F648 HydrophobicContact CG1-CZ 4.32Å
621	R	97.2	Very high	93.8	Very high	50 Å²	50	49 Å²	49	19%	0.189	23%	0.227	C	C	.	.	H	α-helix	trans	-57.9	-54.3	176.3	177.9	173.2	-59.1	-105.7	4.4	111.5	L617 R619 F623 L624 E625 F648 E651 V652	L617-R621 PolarHBondContact O-N 2.89Å; R619-R621 VanDerWaalsContact C-N 3.34Å; R619-R621 PolarHBondContact O-N 2.97Å; R621-F623 PolarHBondContact O-N 3.16Å; R621-L624 PolarHBondContact O-N 2.83Å; R621-E625 WeakPolarHBondContact CD-OE1 3.47Å; R621-E625 HydrophobicContact CG-CG 4.21Å; R621-E625 WeakPolarHBondContact CG-OE1 3.37Å; R621-E625 WeakPolarHBondContact O-CG 3.42Å; R621-E625 PolarHBondContact O-N 3.3Å; R621-F648 HydrophobicContact CB-CE2 4.09Å; R621-F648 HydrophobicContact CB-CZ 3.72Å; R621-E651 IonicContact CZ-OE1 2.73Å; R621-E651 IonicContact CZ-OE2 2.75Å; R621-E651 IonicContact NH1-OE1 3.91Å; R621-E651 PolarHBondContact NH1-OE1 2.81Å; R621-E651 IonicContact NH1-OE2 3.9Å; R621-E651 IonicContact NH2-OE1 3.57Å; R621-E651 PolarHBondContact NH2-OE1 3.23Å; R621-E651 VanDerWaalsContact NH2-OE1 3.13Å; R621-E651 IonicContact NH2-OE2 3.19Å; R621-E651 PolarHBondContact NH2-OE2 3.44Å; R621-V652 HydrophobicContact CB-CG2 4.43Å; R621-V652 HydrophobicContact CG-CG2 4.12Å
622	R	96.6	Very high	93.5	Very high	157 Å²	157	47.9 Å²	47.9	59%	0.592	22%	0.221	S	C	*	.	H	α-helix	trans	-58.1	-38.1	-178.5	-177.1	-179.7	174.5	179.4	-2.2	112.1	H618 R619 S626	H618-R622 PolarHBondContact O-N 2.99Å; H618-R622 VanDerWaalsContact O-N 3.13Å; R619-R622 PolarHBondContact O-N 3.33Å; R622-S626 PolarHBondContact O-N 2.89Å; R622-S626 PolarHBondContact O-OG 3.17Å
623	F	96	Very high	93.4	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-51.8	176.7	-175.9	-98.9	0	0	0	111.5	A598 R601 I602 L605 R619 V620 R621 E625 S626 Q627 Y632 L636	A598-F623 HydrophobicContact CB-CE2 4.29Å; A598-F623 HydrophobicContact CB-CZ 4.46Å; R601-F623 HydrophobicContact CB-CD2 4.11Å; R601-F623 HydrophobicContact CB-CE2 3.87Å; I602-F623 HydrophobicContact CB-CE1 4.43Å; I602-F623 HydrophobicContact CB-CZ 4.15Å; I602-F623 HydrophobicContact CD1-CE1 4.09Å; L605-F623 HydrophobicContact CD1-CB 3.33Å; L605-F623 HydrophobicContact CD1-CD1 3.79Å; L605-F623 HydrophobicContact CD1-CD2 3.82Å; L605-F623 HydrophobicContact CD1-CG 3.37Å; R619-F623 WeakPolarHBondContact O-CB 3.47Å; R619-F623 PolarHBondContact O-N 2.78Å; V620-F623 PolarHBondContact O-N 3.41Å; R621-F623 PolarHBondContact O-N 3.16Å; F623-E625 VanDerWaalsContact C-N 3.29Å; F623-E625 PolarHBondContact O-N 3.3Å; F623-S626 PolarHBondContact O-N 3.46Å; F623-S626 PolarHBondContact O-OG 2.95Å; F623-Q627 HydrophobicContact CE1-CB 4.32Å; F623-Q627 HydrophobicContact CE1-CG 4.28Å; F623-Q627 HydrophobicContact CZ-CG 4.28Å; F623-Q627 VanDerWaalsContact O-CB 3.31Å; F623-Q627 WeakPolarHBondContact O-CB 3.36Å; F623-Q627 PolarHBondContact O-N 3.04Å; F623-Y632 HydrophobicContact CZ-CG 4.17Å; F623-L636 HydrophobicContact CD1-CD2 3.83Å; F623-L636 HydrophobicContact CE1-CD2 4.31Å
624	L	95.5	Very high	93.2	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-30.8	178	-71.8	175.9	0	0	0	113.3	V620 R621 S626 T633 L636 Y637 L640 V652	V620-L624 HydrophobicContact CG1-CD1 4.32Å; V620-L624 PolarHBondContact O-N 2.96Å; V620-L624 VanDerWaalsContact O-N 3.09Å; R621-L624 PolarHBondContact O-N 2.83Å; L624-S626 VanDerWaalsContact C-N 3.29Å; L624-S626 PolarHBondContact O-N 3.12Å; L624-T633 HydrophobicContact CD2-CG2 4.17Å; L624-L636 HydrophobicContact CD1-CD2 4.25Å; L624-L636 HydrophobicContact CD2-CB 4.44Å; L624-L636 HydrophobicContact CD2-CD2 3.8Å; L624-L636 HydrophobicContact CD2-CG 4.4Å; L624-L636 HydrophobicContact CG-CD2 3.85Å; L624-Y637 HydrophobicContact CD1-CE2 4.32Å; L624-Y637 HydrophobicContact CD2-CD2 4.23Å; L624-Y637 HydrophobicContact CD2-CE2 3.8Å; L624-L640 HydrophobicContact CD1-CD1 3.9Å; L624-V652 HydrophobicContact CB-CG1 3.67Å; L624-V652 HydrophobicContact CD1-CG1 3.93Å; L624-V652 HydrophobicContact CG-CG1 4.46Å
625	E	93.4	Very high	93.1	Very high	72 Å²	72	38 Å²	38	34%	0.336	18%	0.182	S	C	.	.	H	α-helix	trans	-68.6	-27.5	172.2	-74.1	171	175.4	0	0	112.7	R621 F623 T656 R659	R621-E625 WeakPolarHBondContact CD-OE1 3.47Å; R621-E625 HydrophobicContact CG-CG 4.21Å; R621-E625 WeakPolarHBondContact CG-OE1 3.37Å; R621-E625 WeakPolarHBondContact O-CG 3.42Å; R621-E625 PolarHBondContact O-N 3.3Å; F623-E625 VanDerWaalsContact C-N 3.29Å; F623-E625 PolarHBondContact O-N 3.3Å; E625-T656 HydrophobicContact CG-CG2 4.17Å; E625-R659 PolarHBondContact O-NH1 3.21Å
626	S	89.4	Confident	93	Very high	64 Å²	64	34.1 Å²	34.1	45%	0.448	16%	0.157	S	C	.	.	H	α-helix	trans	-94.3	-26.1	-178.5	66.1	0	0	0	0	114	R622 F623 L624	R622-S626 PolarHBondContact O-N 2.89Å; R622-S626 PolarHBondContact O-OG 3.17Å; F623-S626 PolarHBondContact O-N 3.46Å; F623-S626 PolarHBondContact O-OG 2.95Å; L624-S626 VanDerWaalsContact C-N 3.29Å; L624-S626 PolarHBondContact O-N 3.12Å
627	Q	88.9	Confident	93	Very high	14 Å²	14	33.8 Å²	33.8	7%	0.065	16%	0.155	C	C	.	.			trans	-100.2	132.9	-167.2	-171.9	49.4	-94.6	0	0	112.3	F623 Y632 T633	F623-Q627 HydrophobicContact CE1-CB 4.32Å; F623-Q627 HydrophobicContact CE1-CG 4.28Å; F623-Q627 HydrophobicContact CZ-CG 4.28Å; F623-Q627 VanDerWaalsContact O-CB 3.31Å; F623-Q627 WeakPolarHBondContact O-CB 3.36Å; F623-Q627 PolarHBondContact O-N 3.04Å; Q627-Y632 HydrophobicContact CG-CD2 3.75Å; Q627-Y632 HydrophobicContact CG-CG 4.17Å; Q627-T633 HydrophobicContact CB-CG2 4.44Å; Q627-T633 HydrophobicContact CG-CG2 4.25Å
628	M	88.7	Confident	92.9	Very high	40 Å²	40	36.6 Å²	36.6	20%	0.197	17%	0.168	C	C	.	.			trans	-118.6	-10.1	-177.2	-60.9	169.3	76.7	0	0	112.5	P320 R659 L664	P320-M628 HydrophobicContact CB-CB 4.01Å; P320-M628 HydrophobicContact CG-CB 4.31Å; M628-R659 HydrophobicContact CE-CB 4.22Å; M628-R659 WeakPolarHBondContact CE-O 3.43Å; M628-L664 VanDerWaalsContact O-CD2 3.25Å; M628-L664 WeakPolarHBondContact O-CD2 3.36Å
629	S	88.2	Confident	92.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.148	C	C	.	.			trans	-75.4	136.2	177.6	176.1	0	0	0	0	111.5	P320 M631 Y632 T633	P320-S629 WeakPolarHBondContact O-CA 3.32Å; S629-M631 PolarHBondContact O-N 3.2Å; S629-M631 WeakPolarHBondContact OG-CB 3.47Å; S629-M631 WeakPolarHBondContact OG-CG 3.32Å; S629-M631 PolarHBondContact OG-N 3.39Å; S629-Y632 PolarHBondContact O-N 2.86Å; S629-T633 WeakPolarHBondContact O-CG2 3.23Å; S629-T633 PolarHBondContact O-N 3.28Å; S629-T633 PolarHBondContact O-OG1 3.33Å
630	R	90.3	Very high	92.7	Very high	81 Å²	81	30.5 Å²	30.5	31%	0.306	14%	0.142	S	C	.	.	H	α-helix	trans	-59.6	-32.5	173.7	72.6	179.7	-69.3	-142.1	2.5	112.1	P323 Y632 T633 I634 L664 R718 D719	P323-R630 WeakPolarHBondContact O-CD 3.4Å; P323-R630 PolarHBondContact O-NH1 3.47Å; R630-Y632 PolarHBondContact O-N 3.13Å; R630-Y632 VanDerWaalsContact O-N 3.16Å; R630-T633 WeakPolarHBondContact CA-OG1 3.12Å; R630-T633 PolarHBondContact O-N 3.5Å; R630-I634 HydrophobicContact CB-CG1 4.23Å; R630-I634 WeakPolarHBondContact O-CB 3.49Å; R630-I634 WeakPolarHBondContact O-CG1 3.45Å; R630-I634 PolarHBondContact O-N 3.27Å; R630-L664 HydrophobicContact CB-CD1 3.79Å; R630-L664 HydrophobicContact CB-CD2 4.39Å; R630-R718 PolarHBondContact NH2-O 3.05Å; R630-D719 IonicContact CZ-OD1 3.24Å; R630-D719 IonicContact NH2-OD1 3.7Å; R630-D719 PolarHBondContact NH2-OD1 3.21Å
631	M	85.4	Confident	92.5	Very high	11 Å²	11	31.8 Å²	31.8	5%	0.054	15%	0.15	C	C	.	.	H	α-helix	trans	-54.3	-36.6	-176.6	-67.5	-150.3	-51.3	0	0	113.1	V325 I336 S629 P635 N721	V325-M631 HydrophobicContact CG2-CE 4.13Å; V325-M631 HydrophobicContact CG2-SD 3.27Å; V325-M631 WeakPolarHBondContact CG2-SD 3.44Å; I336-M631 HydrophobicContact CG2-CE 4.19Å; S629-M631 PolarHBondContact O-N 3.2Å; S629-M631 WeakPolarHBondContact OG-CB 3.47Å; S629-M631 WeakPolarHBondContact OG-CG 3.32Å; S629-M631 PolarHBondContact OG-N 3.39Å; M631-P635 WeakPolarHBondContact O-CD 3.5Å; M631-N721 WeakPolarHBondContact CB-ND2 3.25Å; M631-N721 WeakPolarHBondContact CG-ND2 3.42Å; M631-N721 PolarHBondContact SD-ND2 3.29Å; M631-N721 PolarHBondContact SD-OD1 3.38Å
632	Y	89.6	Confident	92.2	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-106.3	-26	-176	-52.5	-57.2	0	0	0	112.9	A598 E599 I602 F623 Q627 S629 R630	A598-Y632 HydrophobicContact CB-CD1 4.45Å; A598-Y632 HydrophobicContact CB-CD2 4.16Å; A598-Y632 HydrophobicContact CB-CE1 4.09Å; A598-Y632 HydrophobicContact CB-CE2 3.72Å; A598-Y632 HydrophobicContact CB-CG 4.48Å; E599-Y632 HydrophobicContact CG-CE1 4.37Å; E599-Y632 VanDerWaalsContact OE1-CE1 3.23Å; E599-Y632 WeakPolarHBondContact OE1-CE1 3.28Å; E599-Y632 VanDerWaalsContact OE1-CZ 3.31Å; E599-Y632 PolarHBondContact OE1-OH 2.82Å; I602-Y632 HydrophobicContact CB-CD1 4.2Å; I602-Y632 VanDerWaalsContact CD1-O 3.27Å; I602-Y632 WeakPolarHBondContact CD1-O 3.31Å; I602-Y632 HydrophobicContact CG2-CD1 4.01Å; I602-Y632 HydrophobicContact CG2-CE1 4.47Å; F623-Y632 HydrophobicContact CZ-CG 4.17Å; Q627-Y632 HydrophobicContact CG-CD2 3.75Å; Q627-Y632 HydrophobicContact CG-CG 4.17Å; S629-Y632 PolarHBondContact O-N 2.86Å; R630-Y632 PolarHBondContact O-N 3.13Å; R630-Y632 VanDerWaalsContact O-N 3.16Å
633	T	92.1	Very high	91.5	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-80.9	-44.2	-177.1	49.6	0	0	0	0	111.6	L624 Q627 S629 R630 L636 Y637	L624-T633 HydrophobicContact CD2-CG2 4.17Å; Q627-T633 HydrophobicContact CB-CG2 4.44Å; Q627-T633 HydrophobicContact CG-CG2 4.25Å; S629-T633 WeakPolarHBondContact O-CG2 3.23Å; S629-T633 PolarHBondContact O-N 3.28Å; S629-T633 PolarHBondContact O-OG1 3.33Å; R630-T633 WeakPolarHBondContact CA-OG1 3.12Å; R630-T633 PolarHBondContact O-N 3.5Å; T633-L636 PolarHBondContact O-N 3.03Å; T633-Y637 VanDerWaalsContact O-CD2 3.23Å; T633-Y637 WeakPolarHBondContact O-CD2 3.17Å; T633-Y637 PolarHBondContact O-N 3.08Å
634	I	92.9	Very high	91.1	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-55.4	-177	-66.9	-66.8	0	0	0	112	R630 L636 Y637 E638 L664 A667 I668 I671	R630-I634 HydrophobicContact CB-CG1 4.23Å; R630-I634 WeakPolarHBondContact O-CB 3.49Å; R630-I634 WeakPolarHBondContact O-CG1 3.45Å; R630-I634 PolarHBondContact O-N 3.27Å; I634-L636 PolarHBondContact O-N 2.88Å; I634-Y637 PolarHBondContact O-N 3.26Å; I634-Y637 VanDerWaalsContact O-N 3.11Å; I634-E638 HydrophobicContact CG2-CG 4.34Å; I634-E638 WeakPolarHBondContact O-CG 3.47Å; I634-E638 PolarHBondContact O-N 3.41Å; I634-L664 HydrophobicContact CD1-CD1 3.67Å; I634-L664 HydrophobicContact CG1-CD1 3.83Å; I634-A667 HydrophobicContact CD1-CB 3.74Å; I634-I668 HydrophobicContact CD1-CG1 3.91Å; I634-I671 HydrophobicContact CD1-CD1 3.82Å; I634-I671 HydrophobicContact CG2-CD1 4.16Å
635	P	92	Very high	91	Very high	34 Å²	34	33 Å²	33	22%	0.221	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-35.7	-176.9	-23.9	35.2	0	0	0	112.9	M631 E638 D639	M631-P635 WeakPolarHBondContact O-CD 3.5Å; P635-E638 PolarHBondContact O-N 2.85Å; P635-D639 PolarHBondContact O-N 3.17Å
636	L	94.3	Very high	91	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-71.2	-39.3	179.4	-163.8	53.4	0	0	0	112.1	I602 L605 Q606 V609 V620 F623 L624 T633 I634 L640	I602-L636 HydrophobicContact CD1-CB 3.77Å; I602-L636 HydrophobicContact CD1-CD1 4.26Å; I602-L636 HydrophobicContact CD1-CD2 4.01Å; I602-L636 HydrophobicContact CD1-CG 4.25Å; L605-L636 HydrophobicContact CB-CD1 4.23Å; L605-L636 HydrophobicContact CB-CD2 4.49Å; Q606-L636 HydrophobicContact CG-CD1 4.17Å; V609-L636 HydrophobicContact CG2-CD1 3.87Å; V620-L636 HydrophobicContact CG1-CD1 4.29Å; V620-L636 HydrophobicContact CG1-CD2 4.01Å; V620-L636 HydrophobicContact CG1-CG 4.25Å; F623-L636 HydrophobicContact CD1-CD2 3.83Å; F623-L636 HydrophobicContact CE1-CD2 4.31Å; L624-L636 HydrophobicContact CD1-CD2 4.25Å; L624-L636 HydrophobicContact CD2-CB 4.44Å; L624-L636 HydrophobicContact CD2-CD2 3.8Å; L624-L636 HydrophobicContact CD2-CG 4.4Å; L624-L636 HydrophobicContact CG-CD2 3.85Å; T633-L636 PolarHBondContact O-N 3.03Å; I634-L636 PolarHBondContact O-N 2.88Å; L636-L640 HydrophobicContact CG-CD1 4.4Å; L636-L640 WeakPolarHBondContact O-CB 3.45Å; L636-L640 WeakPolarHBondContact O-CD1 3.29Å; L636-L640 WeakPolarHBondContact O-CG 3.44Å; L636-L640 PolarHBondContact O-N 3.37Å
637	Y	95.8	Very high	91.3	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-67	-36.8	174	-87.9	-74.1	0	0	0	112	L624 T633 I634 L640 C641 A649 F653 I668 L672	L624-Y637 HydrophobicContact CD1-CE2 4.32Å; L624-Y637 HydrophobicContact CD2-CD2 4.23Å; L624-Y637 HydrophobicContact CD2-CE2 3.8Å; T633-Y637 VanDerWaalsContact O-CD2 3.23Å; T633-Y637 WeakPolarHBondContact O-CD2 3.17Å; T633-Y637 PolarHBondContact O-N 3.08Å; I634-Y637 PolarHBondContact O-N 3.26Å; I634-Y637 VanDerWaalsContact O-N 3.11Å; Y637-L640 PolarHBondContact O-N 3.43Å; Y637-C641 WeakPolarHBondContact O-CB 3.44Å; Y637-C641 PolarHBondContact O-N 3.32Å; Y637-C641 PolarHBondContact O-SG 3.43Å; Y637-A649 HydrophobicContact CD1-CB 4.05Å; Y637-A649 HydrophobicContact CE1-CB 4.11Å; Y637-F653 HydrophobicContact CE1-CB 3.97Å; Y637-F653 VanDerWaalsContact OH-CA 3.32Å; Y637-F653 WeakPolarHBondContact OH-CA 3.49Å; Y637-F653 PolarHBondContact OH-N 2.72Å; Y637-I668 HydrophobicContact CD1-CG2 3.72Å; Y637-I668 HydrophobicContact CD2-CD1 3.77Å; Y637-I668 HydrophobicContact CD2-CG1 3.86Å; Y637-I668 HydrophobicContact CD2-CG2 3.88Å; Y637-I668 HydrophobicContact CE1-CG2 3.84Å; Y637-I668 HydrophobicContact CE2-CD1 3.73Å; Y637-I668 HydrophobicContact CE2-CG1 4.26Å; Y637-I668 HydrophobicContact CE2-CG2 4.01Å; Y637-I668 HydrophobicContact CG-CG1 4.31Å; Y637-I668 HydrophobicContact CG-CG2 3.76Å; Y637-L672 HydrophobicContact CD1-CD2 4.48Å
638	E	94	Very high	91.6	Very high	81 Å²	81	33.2 Å²	33.2	38%	0.379	20%	0.198	S	C	.	.	H	α-helix	trans	-61.5	-49.6	173.9	-70.4	178	154.2	0	0	111.5	I634 P635 L640 C641 T642 I671	I634-E638 HydrophobicContact CG2-CG 4.34Å; I634-E638 WeakPolarHBondContact O-CG 3.47Å; I634-E638 PolarHBondContact O-N 3.41Å; P635-E638 PolarHBondContact O-N 2.85Å; E638-L640 PolarHBondContact O-N 2.78Å; E638-C641 PolarHBondContact O-N 3.27Å; E638-T642 WeakPolarHBondContact O-CB 3.48Å; E638-T642 PolarHBondContact O-N 3.38Å; E638-T642 PolarHBondContact O-OG1 2.82Å; E638-I671 HydrophobicContact CG-CD1 3.82Å; E638-I671 HydrophobicContact CG-CG1 4.25Å; E638-I671 HydrophobicContact CG-CG2 4.36Å
639	D	93.6	Very high	92	Very high	20 Å²	20	31.3 Å²	31.3	11%	0.107	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-43.8	176.9	-75	-29.4	0	0	0	111.3	Q606 V609 R610 P635 C641 T642 G643	Q606-D639 WeakPolarHBondContact CB-OD2 3.46Å; Q606-D639 WeakPolarHBondContact CG-OD2 3.32Å; Q606-D639 PolarHBondContact NE2-OD2 3.29Å; V609-D639 HydrophobicContact CB-CB 4.48Å; V609-D639 HydrophobicContact CG1-CB 3.74Å; R610-D639 HydrophobicContact CG-CB 4.42Å; R610-D639 IonicContact CZ-OD1 3.77Å; R610-D639 IonicContact CZ-OD2 3.29Å; R610-D639 VanDerWaalsContact NE-CG 3.3Å; R610-D639 IonicContact NE-OD1 3.52Å; R610-D639 PolarHBondContact NE-OD1 3.41Å; R610-D639 IonicContact NE-OD2 3.67Å; R610-D639 PolarHBondContact NE-OD2 3.35Å; R610-D639 IonicContact NH2-OD1 2.95Å; R610-D639 PolarHBondContact NH2-OD1 3.18Å; R610-D639 IonicContact NH2-OD2 3.12Å; R610-D639 PolarHBondContact NH2-OD2 3.01Å; P635-D639 PolarHBondContact O-N 3.17Å; D639-C641 VanDerWaalsContact C-N 3.31Å; D639-C641 PolarHBondContact O-N 3.02Å; D639-T642 PolarHBondContact O-N 3.02Å; D639-G643 PolarHBondContact O-N 3.17Å; D639-G643 VanDerWaalsContact O-N 3.09Å
640	L	95	Very high	92.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-37	178.7	-77.2	168	0	0	0	112.8	V609 V620 L624 L636 Y637 E638 L645 K646 F648 A649	V609-L640 HydrophobicContact CB-CD2 4.43Å; V609-L640 HydrophobicContact CG1-CB 4.43Å; V609-L640 HydrophobicContact CG1-CD2 3.83Å; V609-L640 HydrophobicContact CG1-CG 3.98Å; V609-L640 HydrophobicContact CG2-CD2 3.66Å; V609-L640 HydrophobicContact CG2-CG 4.09Å; V620-L640 HydrophobicContact CG1-CD1 4.39Å; V620-L640 HydrophobicContact CG1-CD2 4.47Å; L624-L640 HydrophobicContact CD1-CD1 3.9Å; L636-L640 HydrophobicContact CG-CD1 4.4Å; L636-L640 WeakPolarHBondContact O-CB 3.45Å; L636-L640 WeakPolarHBondContact O-CD1 3.29Å; L636-L640 WeakPolarHBondContact O-CG 3.44Å; L636-L640 PolarHBondContact O-N 3.37Å; Y637-L640 PolarHBondContact O-N 3.43Å; E638-L640 PolarHBondContact O-N 2.78Å; L640-L645 HydrophobicContact CD2-CB 3.59Å; L640-L645 HydrophobicContact CD2-CD1 3.9Å; L640-L645 HydrophobicContact CD2-CG 4.41Å; L640-L645 CarbonylContact O-C 3.46Å; L640-K646 PolarHBondContact O-N 3.12Å; L640-F648 HydrophobicContact CD1-CD1 4.38Å; L640-F648 HydrophobicContact CD1-CE1 4.41Å; L640-F648 HydrophobicContact CD2-CD1 3.85Å; L640-F648 HydrophobicContact CD2-CE1 4.16Å; L640-A649 HydrophobicContact CB-CB 3.95Å; L640-A649 HydrophobicContact CD1-CB 4.1Å
641	C	94.2	Very high	92.6	Very high	26 Å²	26	35.5 Å²	35.5	18%	0.176	21%	0.214	C	C	.	.	H	α-helix	trans	-85.8	-23.6	-177.6	-66.2	0	0	0	0	113.3	Y637 E638 D639 I671	Y637-C641 WeakPolarHBondContact O-CB 3.44Å; Y637-C641 PolarHBondContact O-N 3.32Å; Y637-C641 PolarHBondContact O-SG 3.43Å; E638-C641 PolarHBondContact O-N 3.27Å; D639-C641 VanDerWaalsContact C-N 3.31Å; D639-C641 PolarHBondContact O-N 3.02Å; C641-I671 HydrophobicContact CB-CG2 3.92Å
642	T	89.9	Confident	93.2	Very high	124 Å²	124	35 Å²	35	76%	0.761	21%	0.211	S	C	*	.	H	α-helix	trans	-74.5	-34.7	172.3	-56.4	0	0	0	0	111.1	E638 D639	E638-T642 WeakPolarHBondContact O-CB 3.48Å; E638-T642 PolarHBondContact O-N 3.38Å; E638-T642 PolarHBondContact O-OG1 2.82Å; D639-T642 PolarHBondContact O-N 3.02Å
643	G	82.5	Confident	93.5	Very high	38 Å²	38	35.4 Å²	35.4	39%	0.392	21%	0.213	S	C	.	.	S	Bend	trans	-88.3	-161	178.3	0	0	0	0	0	115.2	D639 L645	D639-G643 PolarHBondContact O-N 3.17Å; D639-G643 VanDerWaalsContact O-N 3.09Å; G643-L645 VanDerWaalsContact C-N 3.28Å; G643-L645 PolarHBondContact O-N 3.34Å
644	A	86.9	Confident	93.7	Very high	66 Å²	66	43.8 Å²	43.8	55%	0.545	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-1.2	-177.9	0	0	0	0	0	114.3
645	L	94.2	Very high	93.8	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.047	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	18.3	-167.3	-63.9	174.8	0	0	0	114.3	V609 Y614 L617 L640 G643 S647 F648 A649	V609-L645 HydrophobicContact CG1-CD1 4.3Å; V609-L645 HydrophobicContact CG2-CD1 4.42Å; Y614-L645 HydrophobicContact CE1-CD2 4.13Å; L617-L645 HydrophobicContact CD1-CD1 3.81Å; L617-L645 HydrophobicContact CD1-CD2 4.46Å; L617-L645 HydrophobicContact CD2-CD2 4.03Å; L640-L645 HydrophobicContact CD2-CB 3.59Å; L640-L645 HydrophobicContact CD2-CD1 3.9Å; L640-L645 HydrophobicContact CD2-CG 4.41Å; L640-L645 CarbonylContact O-C 3.46Å; G643-L645 VanDerWaalsContact C-N 3.28Å; G643-L645 PolarHBondContact O-N 3.34Å; L645-S647 VanDerWaalsContact C-N 3.3Å; L645-S647 PolarHBondContact O-N 2.91Å; L645-F648 WeakPolarHBondContact O-CB 3.41Å; L645-F648 PolarHBondContact O-N 3.22Å; L645-F648 VanDerWaalsContact O-N 3.13Å; L645-A649 PolarHBondContact O-N 2.88Å
646	K	93.8	Very high	93.9	Very high	43 Å²	43	47.1 Å²	47.1	19%	0.187	26%	0.259	C	S	.	.	H	α-helix	trans	-58.3	-36.6	-179.6	-174.1	172.7	-178.2	171.3	0	114	L640 A649 L650 L672 G675	L640-K646 PolarHBondContact O-N 3.12Å; K646-A649 WeakPolarHBondContact O-CB 3.41Å; K646-A649 PolarHBondContact O-N 3.04Å; K646-L650 WeakPolarHBondContact O-CG 3.38Å; K646-L650 PolarHBondContact O-N 3.29Å; K646-L672 WeakPolarHBondContact CE-O 3.45Å; K646-L672 PolarHBondContact NZ-O 3.37Å; K646-G675 VanDerWaalsContact NZ-CA 3.29Å; K646-G675 PolarHBondContact NZ-O 3.31Å
647	S	94.2	Very high	93.8	Very high	92 Å²	92	49.4 Å²	49.4	64%	0.643	27%	0.27	S	S	*	.	H	α-helix	trans	-65.7	-40.2	177.1	55	0	0	0	0	112.1	L645 L650 E651	L645-S647 VanDerWaalsContact C-N 3.3Å; L645-S647 PolarHBondContact O-N 2.91Å; S647-L650 PolarHBondContact O-N 3.05Å; S647-E651 PolarHBondContact O-N 2.84Å; S647-E651 VanDerWaalsContact O-N 3.11Å
648	F	95.9	Very high	93.4	Very high	21 Å²	21	51.7 Å²	51.7	9%	0.092	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-43.3	172.4	171.4	-88	0	0	0	111.1	L617 V620 R621 L640 L645 L650 E651 V652	L617-F648 HydrophobicContact CD1-CD1 4.16Å; L617-F648 HydrophobicContact CD1-CD2 4.35Å; L617-F648 HydrophobicContact CD1-CE1 3.86Å; L617-F648 HydrophobicContact CD1-CE2 4.05Å; L617-F648 HydrophobicContact CD1-CG 4.38Å; L617-F648 HydrophobicContact CD1-CZ 3.78Å; L617-F648 HydrophobicContact CD2-CD2 3.85Å; L617-F648 HydrophobicContact CD2-CE2 3.98Å; L617-F648 HydrophobicContact CD2-CG 4.31Å; L617-F648 HydrophobicContact CG-CD2 4.02Å; L617-F648 HydrophobicContact CG-CE1 4.38Å; L617-F648 HydrophobicContact CG-CE2 3.64Å; L617-F648 HydrophobicContact CG-CZ 3.83Å; V620-F648 HydrophobicContact CB-CE1 4.28Å; V620-F648 HydrophobicContact CB-CZ 4.24Å; V620-F648 HydrophobicContact CG1-CE1 3.88Å; V620-F648 HydrophobicContact CG1-CZ 4.32Å; R621-F648 HydrophobicContact CB-CE2 4.09Å; R621-F648 HydrophobicContact CB-CZ 3.72Å; L640-F648 HydrophobicContact CD1-CD1 4.38Å; L640-F648 HydrophobicContact CD1-CE1 4.41Å; L640-F648 HydrophobicContact CD2-CD1 3.85Å; L640-F648 HydrophobicContact CD2-CE1 4.16Å; L645-F648 WeakPolarHBondContact O-CB 3.41Å; L645-F648 PolarHBondContact O-N 3.22Å; L645-F648 VanDerWaalsContact O-N 3.13Å; F648-L650 PolarHBondContact O-N 3.05Å; F648-E651 PolarHBondContact O-N 3.36Å; F648-V652 HydrophobicContact CD1-CG2 4.32Å; F648-V652 HydrophobicContact CE1-CG2 3.99Å; F648-V652 HydrophobicContact CE2-CG2 4.28Å; F648-V652 HydrophobicContact CZ-CG2 3.99Å; F648-V652 WeakPolarHBondContact O-CG2 3.3Å; F648-V652 PolarHBondContact O-N 3.25Å
649	A	96.3	Very high	93.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.9	-45	176.1	0	0	0	0	0	112.4	Y637 L640 L645 K646 E651 V652 F653 L672	Y637-A649 HydrophobicContact CD1-CB 4.05Å; Y637-A649 HydrophobicContact CE1-CB 4.11Å; L640-A649 HydrophobicContact CB-CB 3.95Å; L640-A649 HydrophobicContact CD1-CB 4.1Å; L645-A649 PolarHBondContact O-N 2.88Å; K646-A649 WeakPolarHBondContact O-CB 3.41Å; K646-A649 PolarHBondContact O-N 3.04Å; A649-E651 VanDerWaalsContact C-N 3.33Å; A649-E651 PolarHBondContact O-N 3.25Å; A649-V652 PolarHBondContact O-N 2.78Å; A649-F653 VanDerWaalsContact O-CB 3.27Å; A649-F653 WeakPolarHBondContact O-CB 3.38Å; A649-F653 PolarHBondContact O-N 2.94Å; A649-L672 HydrophobicContact CB-CD2 3.92Å
650	L	96.3	Very high	92.9	Very high	80 Å²	80	52.8 Å²	52.8	42%	0.419	29%	0.294	S	S	.	.	H	α-helix	trans	-59.5	-43.1	176.3	-77	167.1	0	0	0	112.2	K646 S647 F648 Y654 L672	K646-L650 WeakPolarHBondContact O-CG 3.38Å; K646-L650 PolarHBondContact O-N 3.29Å; S647-L650 PolarHBondContact O-N 3.05Å; F648-L650 PolarHBondContact O-N 3.05Å; L650-Y654 WeakPolarHBondContact O-CB 3.37Å; L650-Y654 PolarHBondContact O-N 3.16Å; L650-L672 HydrophobicContact CD2-CB 4.19Å; L650-L672 HydrophobicContact CD2-CD1 4.19Å; L650-L672 HydrophobicContact CD2-CD2 3.91Å; L650-L672 HydrophobicContact CD2-CG 4.33Å; L650-L672 HydrophobicContact CG-CD2 4.04Å
651	E	96.6	Very high	92.7	Very high	88 Å²	88	53.8 Å²	53.8	41%	0.411	30%	0.298	S	S	.	.	H	α-helix	trans	-63.8	-49.3	179.5	-164.5	-152.4	138.6	0	0	111.6	R621 S647 F648 A649 Y654 Q655	R621-E651 IonicContact CZ-OE1 2.73Å; R621-E651 IonicContact CZ-OE2 2.75Å; R621-E651 IonicContact NH1-OE1 3.91Å; R621-E651 PolarHBondContact NH1-OE1 2.81Å; R621-E651 IonicContact NH1-OE2 3.9Å; R621-E651 IonicContact NH2-OE1 3.57Å; R621-E651 PolarHBondContact NH2-OE1 3.23Å; R621-E651 VanDerWaalsContact NH2-OE1 3.13Å; R621-E651 IonicContact NH2-OE2 3.19Å; R621-E651 PolarHBondContact NH2-OE2 3.44Å; S647-E651 PolarHBondContact O-N 2.84Å; S647-E651 VanDerWaalsContact O-N 3.11Å; F648-E651 PolarHBondContact O-N 3.36Å; A649-E651 VanDerWaalsContact C-N 3.33Å; A649-E651 PolarHBondContact O-N 3.25Å; E651-Y654 PolarHBondContact O-N 2.65Å; E651-Q655 WeakPolarHBondContact O-CG 3.45Å; E651-Q655 PolarHBondContact O-N 3.4Å; E651-Q655 PolarHBondContact OE1-NE2 3.22Å
652	V	96.4	Very high	92.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.6	-42.3	179.1	176.6	0	0	0	0	110.9	R621 L624 F648 A649 Y654 Q655 T656	R621-V652 HydrophobicContact CB-CG2 4.43Å; R621-V652 HydrophobicContact CG-CG2 4.12Å; L624-V652 HydrophobicContact CB-CG1 3.67Å; L624-V652 HydrophobicContact CD1-CG1 3.93Å; L624-V652 HydrophobicContact CG-CG1 4.46Å; F648-V652 HydrophobicContact CD1-CG2 4.32Å; F648-V652 HydrophobicContact CE1-CG2 3.99Å; F648-V652 HydrophobicContact CE2-CG2 4.28Å; F648-V652 HydrophobicContact CZ-CG2 3.99Å; F648-V652 WeakPolarHBondContact O-CG2 3.3Å; F648-V652 PolarHBondContact O-N 3.25Å; A649-V652 PolarHBondContact O-N 2.78Å; V652-Y654 VanDerWaalsContact C-N 3.35Å; V652-Y654 PolarHBondContact O-N 3.48Å; V652-Q655 PolarHBondContact O-N 3.27Å; V652-T656 HydrophobicContact CG1-CG2 4.28Å; V652-T656 WeakPolarHBondContact O-CB 3.37Å; V652-T656 WeakPolarHBondContact O-CG2 3.49Å; V652-T656 PolarHBondContact O-N 3.23Å; V652-T656 PolarHBondContact O-OG1 2.99Å
653	F	96.8	Very high	92.4	Very high	13 Å²	13	51.9 Å²	51.9	6%	0.057	28%	0.284	C	S	.	.	H	α-helix	trans	-60.6	-44.3	176	178.5	-106	0	0	0	111.6	Y637 A649 Q655 T656 Q657 L660 R665 I668 Q669 L672	Y637-F653 HydrophobicContact CE1-CB 3.97Å; Y637-F653 VanDerWaalsContact OH-CA 3.32Å; Y637-F653 WeakPolarHBondContact OH-CA 3.49Å; Y637-F653 PolarHBondContact OH-N 2.72Å; A649-F653 VanDerWaalsContact O-CB 3.27Å; A649-F653 WeakPolarHBondContact O-CB 3.38Å; A649-F653 PolarHBondContact O-N 2.94Å; F653-Q655 PolarHBondContact O-N 2.77Å; F653-T656 PolarHBondContact O-N 3.25Å; F653-T656 VanDerWaalsContact O-N 3.15Å; F653-Q657 HydrophobicContact CD1-CB 4.47Å; F653-Q657 HydrophobicContact CD2-CB 4.24Å; F653-Q657 HydrophobicContact CE1-CB 4.06Å; F653-Q657 HydrophobicContact CE2-CB 3.82Å; F653-Q657 HydrophobicContact CZ-CB 3.7Å; F653-Q657 VanDerWaalsContact O-CB 3.22Å; F653-Q657 WeakPolarHBondContact O-CB 3.28Å; F653-Q657 WeakPolarHBondContact O-CG 3.35Å; F653-Q657 PolarHBondContact O-N 2.75Å; F653-L660 HydrophobicContact CD2-CD1 4.36Å; F653-L660 HydrophobicContact CE2-CD1 4.18Å; F653-R665 HydrophobicContact CE2-CG 4.08Å; F653-R665 HydrophobicContact CZ-CG 3.67Å; F653-I668 HydrophobicContact CD2-CB 4.11Å; F653-I668 HydrophobicContact CD2-CG2 3.38Å; F653-I668 HydrophobicContact CE2-CB 3.89Å; F653-I668 HydrophobicContact CE2-CG2 3.67Å; F653-I668 HydrophobicContact CG-CG2 4.07Å; F653-Q669 HydrophobicContact CE1-CG 3.71Å; F653-Q669 HydrophobicContact CZ-CG 3.51Å; F653-L672 HydrophobicContact CB-CD1 3.84Å; F653-L672 HydrophobicContact CD1-CD1 3.53Å; F653-L672 HydrophobicContact CD2-CD1 4.23Å; F653-L672 HydrophobicContact CE1-CD1 4.15Å; F653-L672 HydrophobicContact CG-CD1 3.58Å
654	Y	96.1	Very high	92.8	Very high	177 Å²	177	50.7 Å²	50.7	69%	0.694	27%	0.269	S	S	*	.	H	α-helix	trans	-59.2	-37.7	178.8	-173.3	-95.1	0	0	0	112.4	L650 E651 V652 Q657	L650-Y654 WeakPolarHBondContact O-CB 3.37Å; L650-Y654 PolarHBondContact O-N 3.16Å; E651-Y654 PolarHBondContact O-N 2.65Å; V652-Y654 VanDerWaalsContact C-N 3.35Å; V652-Y654 PolarHBondContact O-N 3.48Å; Y654-Q657 PolarHBondContact O-NE2 3.27Å
655	Q	94.7	Very high	93.1	Very high	103 Å²	103	51 Å²	51	48%	0.481	26%	0.256	S	S	.	.	H	α-helix	trans	-74.1	-29.7	178.5	-68.9	168.8	1.7	0	0	113.3	E651 V652 F653	E651-Q655 WeakPolarHBondContact O-CG 3.45Å; E651-Q655 PolarHBondContact O-N 3.4Å; E651-Q655 PolarHBondContact OE1-NE2 3.22Å; V652-Q655 PolarHBondContact O-N 3.27Å; F653-Q655 PolarHBondContact O-N 2.77Å
656	T	93.9	Very high	93	Very high	8 Å²	8	57.4 Å²	57.4	5%	0.049	28%	0.279	C	S	.	.	H	α-helix	trans	-107.8	-20.6	-169.5	55.3	0	0	0	0	114.3	E625 V652 F653 G658 R659	E625-T656 HydrophobicContact CG-CG2 4.17Å; V652-T656 HydrophobicContact CG1-CG2 4.28Å; V652-T656 WeakPolarHBondContact O-CB 3.37Å; V652-T656 WeakPolarHBondContact O-CG2 3.49Å; V652-T656 PolarHBondContact O-N 3.23Å; V652-T656 PolarHBondContact O-OG1 2.99Å; F653-T656 PolarHBondContact O-N 3.25Å; F653-T656 VanDerWaalsContact O-N 3.15Å; T656-G658 PolarHBondContact O-N 3.02Å; T656-R659 PolarHBondContact O-N 3.47Å
657	Q	92.7	Very high	92.9	Very high	47 Å²	47	56.8 Å²	56.8	22%	0.22	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-52.2	-32.4	-170.7	60.5	-178.4	-45	0	0	114.9	F653 Y654 R659 L660 R665	F653-Q657 HydrophobicContact CD1-CB 4.47Å; F653-Q657 HydrophobicContact CD2-CB 4.24Å; F653-Q657 HydrophobicContact CE1-CB 4.06Å; F653-Q657 HydrophobicContact CE2-CB 3.82Å; F653-Q657 HydrophobicContact CZ-CB 3.7Å; F653-Q657 VanDerWaalsContact O-CB 3.22Å; F653-Q657 WeakPolarHBondContact O-CB 3.28Å; F653-Q657 WeakPolarHBondContact O-CG 3.35Å; F653-Q657 PolarHBondContact O-N 2.75Å; Y654-Q657 PolarHBondContact O-NE2 3.27Å; Q657-R659 PolarHBondContact O-N 3.45Å; Q657-L660 PolarHBondContact O-N 3.37Å; Q657-L660 VanDerWaalsContact O-N 3.14Å; Q657-R665 HydrophobicContact CB-CG 4.31Å; Q657-R665 PolarHBondContact O-NE 3.41Å; Q657-R665 PolarHBondContact O-NH2 3.44Å
658	G	88	Confident	92.9	Very high	50 Å²	50	52.4 Å²	52.4	52%	0.515	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-63.5	-25.7	179.9	0	0	0	0	0	113.6	T656	T656-G658 PolarHBondContact O-N 3.02Å
659	R	87.1	Confident	92.9	Very high	119 Å²	119	55.3 Å²	55.3	45%	0.449	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-89.3	-12.5	178.3	-64	173.6	60.1	-159	-9.8	112.8	L183 E625 M628 T656 Q657	L183-R659 WeakPolarHBondContact CD2-O 3.49Å; E625-R659 PolarHBondContact O-NH1 3.21Å; M628-R659 HydrophobicContact CE-CB 4.22Å; M628-R659 WeakPolarHBondContact CE-O 3.43Å; T656-R659 PolarHBondContact O-N 3.47Å; Q657-R659 PolarHBondContact O-N 3.45Å
660	L	89.9	Confident	92.8	Very high	5 Å²	5	60.4 Å²	60.4	3%	0.026	29%	0.289	C	S	.	.	S	Bend	trans	-86.5	138.9	-177.9	-55.8	-179.7	0	0	0	110.5	F653 Q657 L664 R665 I668	F653-L660 HydrophobicContact CD2-CD1 4.36Å; F653-L660 HydrophobicContact CE2-CD1 4.18Å; Q657-L660 PolarHBondContact O-N 3.37Å; Q657-L660 VanDerWaalsContact O-N 3.14Å; L660-L664 HydrophobicContact CD2-CD2 4.03Å; L660-R665 HydrophobicContact CB-CB 4.48Å; L660-R665 PolarHBondContact O-NH2 3.26Å; L660-I668 HydrophobicContact CD1-CD1 3.64Å
661	H	90.1	Very high	92.6	Very high	20 Å²	20	57.5 Å²	57.5	9%	0.093	27%	0.274	C	S	.	.			trans	-53.6	140.8	170.5	-176.7	-93.6	0	0	0	110.4	W177 L179 N663 L664 R665	W177-H661 AromaticContact CE3-CE1 3.49Å; W177-H661 VanDerWaalsContact CE3-CE1 3.49Å; W177-H661 AromaticContact CE3-NE2 3.67Å; W177-H661 AromaticContact CZ3-CE1 3.29Å; W177-H661 WeakPolarHBondContact CZ3-CE1 3.41Å; W177-H661 AromaticContact CZ3-ND1 3.59Å; W177-H661 AromaticContact CZ3-NE2 3.92Å; L179-H661 VanDerWaalsContact CD2-CD2 3.44Å; L179-H661 WeakPolarHBondContact CD2-CD2 3.46Å; H661-N663 VanDerWaalsContact CE1-CG 3.46Å; H661-N663 PolarHBondContact CE1-ND2 3.22Å; H661-N663 WeakPolarHBondContact ND1-CB 3.37Å; H661-N663 PolarHBondContact ND1-N 3.45Å; H661-N663 VanDerWaalsContact ND1-N 3.18Å; H661-N663 PolarHBondContact O-N 3.36Å; H661-N663 VanDerWaalsContact O-N 3.09Å; H661-L664 PolarHBondContact O-N 2.92Å; H661-R665 PolarHBondContact O-N 3.11Å
662	P	89.9	Confident	92.5	Very high	50 Å²	50	53.8 Å²	53.8	33%	0.325	26%	0.257	S	S	.	.	H	α-helix	trans	-52.9	-35.1	-176.3	-30.5	36.4	0	0	0	115	R666	P662-R666 WeakPolarHBondContact O-CG 3.35Å; P662-R666 PolarHBondContact O-N 3.46Å
663	N	88.1	Confident	92.2	Very high	60 Å²	60	56.8 Å²	56.8	32%	0.321	28%	0.278	S	S	.	.	H	α-helix	trans	-66.2	-45.6	176.9	-62.6	-6.1	0	0	0	111.7	W177 H661 R666 A667	W177-N663 HydrophobicContact CH2-CB 4.33Å; W177-N663 WeakPolarHBondContact CH2-ND2 3.47Å; W177-N663 HydrophobicContact CZ3-CB 4.39Å; W177-N663 WeakPolarHBondContact CZ3-ND2 3.43Å; H661-N663 VanDerWaalsContact CE1-CG 3.46Å; H661-N663 PolarHBondContact CE1-ND2 3.22Å; H661-N663 WeakPolarHBondContact ND1-CB 3.37Å; H661-N663 PolarHBondContact ND1-N 3.45Å; H661-N663 VanDerWaalsContact ND1-N 3.18Å; H661-N663 PolarHBondContact O-N 3.36Å; H661-N663 VanDerWaalsContact O-N 3.09Å; N663-R666 PolarHBondContact O-N 3.37Å; N663-R666 PolarHBondContact OD1-NH2 2.96Å; N663-A667 PolarHBondContact O-N 3.33Å
664	L	89.9	Confident	91.2	Very high	13 Å²	13	64 Å²	64	7%	0.068	31%	0.312	C	S	.	.	H	α-helix	trans	-66.1	-41	177.1	177	54.8	0	0	0	111.2	M628 R630 I634 L660 H661 R666 A667 I668	M628-L664 VanDerWaalsContact O-CD2 3.25Å; M628-L664 WeakPolarHBondContact O-CD2 3.36Å; R630-L664 HydrophobicContact CB-CD1 3.79Å; R630-L664 HydrophobicContact CB-CD2 4.39Å; I634-L664 HydrophobicContact CD1-CD1 3.67Å; I634-L664 HydrophobicContact CG1-CD1 3.83Å; L660-L664 HydrophobicContact CD2-CD2 4.03Å; H661-L664 PolarHBondContact O-N 2.92Å; L664-R666 VanDerWaalsContact C-N 3.32Å; L664-R666 PolarHBondContact O-N 3.04Å; L664-A667 PolarHBondContact O-N 3.08Å; L664-I668 HydrophobicContact CD1-CD1 3.74Å; L664-I668 HydrophobicContact CD1-CG1 4.06Å; L664-I668 HydrophobicContact CG-CD1 3.87Å; L664-I668 WeakPolarHBondContact O-CG1 3.44Å; L664-I668 PolarHBondContact O-N 3.36Å
665	R	93.1	Very high	89.1	Confident	73 Å²	73	58.1 Å²	58.1	28%	0.275	31%	0.305	S	S	.	.	H	α-helix	trans	-56.2	-46.8	174.8	-169.7	-175.6	-56.8	163.9	7.5	111.5	F653 Q657 L660 H661 I668 Q669	F653-R665 HydrophobicContact CE2-CG 4.08Å; F653-R665 HydrophobicContact CZ-CG 3.67Å; Q657-R665 HydrophobicContact CB-CG 4.31Å; Q657-R665 PolarHBondContact O-NE 3.41Å; Q657-R665 PolarHBondContact O-NH2 3.44Å; L660-R665 HydrophobicContact CB-CB 4.48Å; L660-R665 PolarHBondContact O-NH2 3.26Å; H661-R665 PolarHBondContact O-N 3.11Å; R665-I668 PolarHBondContact O-N 3.39Å; R665-Q669 WeakPolarHBondContact O-CB 3.35Å; R665-Q669 WeakPolarHBondContact O-CG 3.29Å; R665-Q669 PolarHBondContact O-N 3.08Å
666	R	93.2	Very high	86.5	Confident	144 Å²	144	59.9 Å²	59.9	54%	0.543	32%	0.317	S	S	.	.	H	α-helix	trans	-63.2	-42.2	177.4	-75.1	-174.9	-67.8	147.2	-8.9	112.2	P662 N663 L664 Q669 Q670	P662-R666 WeakPolarHBondContact O-CG 3.35Å; P662-R666 PolarHBondContact O-N 3.46Å; N663-R666 PolarHBondContact O-N 3.37Å; N663-R666 PolarHBondContact OD1-NH2 2.96Å; L664-R666 VanDerWaalsContact C-N 3.32Å; L664-R666 PolarHBondContact O-N 3.04Å; R666-Q669 PolarHBondContact O-N 3.11Å; R666-Q670 WeakPolarHBondContact O-CG 3.23Å; R666-Q670 PolarHBondContact O-N 3Å
667	A	91.6	Very high	83.6	Confident	30 Å²	30	62.9 Å²	62.9	25%	0.248	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-47.4	177.1	0	0	0	0	0	111.8	I634 N663 L664 Q669 Q670 I671	I634-A667 HydrophobicContact CD1-CB 3.74Å; N663-A667 PolarHBondContact O-N 3.33Å; L664-A667 PolarHBondContact O-N 3.08Å; A667-Q669 VanDerWaalsContact C-N 3.35Å; A667-Q669 PolarHBondContact O-N 3.32Å; A667-Q670 WeakPolarHBondContact O-CB 3.49Å; A667-Q670 PolarHBondContact O-N 3.19Å; A667-Q670 VanDerWaalsContact O-N 3.15Å; A667-I671 WeakPolarHBondContact O-CG1 3.24Å; A667-I671 PolarHBondContact O-N 3.33Å
668	I	94.1	Very high	80.4	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-65.2	-38.7	177.2	-64.6	163	0	0	0	111.4	I634 Y637 F653 L660 L664 R665 Q670 I671 L672	I634-I668 HydrophobicContact CD1-CG1 3.91Å; Y637-I668 HydrophobicContact CD1-CG2 3.72Å; Y637-I668 HydrophobicContact CD2-CD1 3.77Å; Y637-I668 HydrophobicContact CD2-CG1 3.86Å; Y637-I668 HydrophobicContact CD2-CG2 3.88Å; Y637-I668 HydrophobicContact CE1-CG2 3.84Å; Y637-I668 HydrophobicContact CE2-CD1 3.73Å; Y637-I668 HydrophobicContact CE2-CG1 4.26Å; Y637-I668 HydrophobicContact CE2-CG2 4.01Å; Y637-I668 HydrophobicContact CG-CG1 4.31Å; Y637-I668 HydrophobicContact CG-CG2 3.76Å; F653-I668 HydrophobicContact CD2-CB 4.11Å; F653-I668 HydrophobicContact CD2-CG2 3.38Å; F653-I668 HydrophobicContact CE2-CB 3.89Å; F653-I668 HydrophobicContact CE2-CG2 3.67Å; F653-I668 HydrophobicContact CG-CG2 4.07Å; L660-I668 HydrophobicContact CD1-CD1 3.64Å; L664-I668 HydrophobicContact CD1-CD1 3.74Å; L664-I668 HydrophobicContact CD1-CG1 4.06Å; L664-I668 HydrophobicContact CG-CD1 3.87Å; L664-I668 WeakPolarHBondContact O-CG1 3.44Å; L664-I668 PolarHBondContact O-N 3.36Å; R665-I668 PolarHBondContact O-N 3.39Å; I668-Q670 VanDerWaalsContact C-N 3.28Å; I668-Q670 PolarHBondContact O-N 3.32Å; I668-I671 PolarHBondContact O-N 3.1Å; I668-L672 HydrophobicContact CG2-CD1 3.79Å; I668-L672 HydrophobicContact CG2-CG 4.22Å; I668-L672 VanDerWaalsContact O-CG 3.26Å; I668-L672 WeakPolarHBondContact O-CG 3.23Å; I668-L672 PolarHBondContact O-N 3.04Å
669	Q	95.1	Very high	77.4	Confident	81 Å²	81	69 Å²	69	38%	0.379	39%	0.39	S	S	.	.	H	α-helix	trans	-59.4	-39.9	173.4	-76.5	169.3	-22.9	0	0	112.2	F653 R665 R666 A667 L672 S673	F653-Q669 HydrophobicContact CE1-CG 3.71Å; F653-Q669 HydrophobicContact CZ-CG 3.51Å; R665-Q669 WeakPolarHBondContact O-CB 3.35Å; R665-Q669 WeakPolarHBondContact O-CG 3.29Å; R665-Q669 PolarHBondContact O-N 3.08Å; R666-Q669 PolarHBondContact O-N 3.11Å; A667-Q669 VanDerWaalsContact C-N 3.35Å; A667-Q669 PolarHBondContact O-N 3.32Å; Q669-L672 PolarHBondContact O-N 3.42Å; Q669-S673 VanDerWaalsContact O-CB 3.31Å; Q669-S673 WeakPolarHBondContact O-CB 3.11Å; Q669-S673 PolarHBondContact O-N 3.09Å; Q669-S673 PolarHBondContact O-OG 3.43Å
670	Q	94.2	Very high	74.5	Confident	107 Å²	107	70 Å²	70	50%	0.5	41%	0.41	S	S	.	.	H	α-helix	trans	-62.2	-48.7	175.2	-73.3	171.1	-16.5	0	0	110.7	R666 A667 I668 L672 S673 Q674	R666-Q670 WeakPolarHBondContact O-CG 3.23Å; R666-Q670 PolarHBondContact O-N 3Å; A667-Q670 WeakPolarHBondContact O-CB 3.49Å; A667-Q670 PolarHBondContact O-N 3.19Å; A667-Q670 VanDerWaalsContact O-N 3.15Å; I668-Q670 VanDerWaalsContact C-N 3.28Å; I668-Q670 PolarHBondContact O-N 3.32Å; Q670-L672 VanDerWaalsContact C-N 3.33Å; Q670-L672 PolarHBondContact O-N 3.23Å; Q670-S673 WeakPolarHBondContact CA-OG 3.48Å; Q670-S673 PolarHBondContact O-N 3.26Å; Q670-S673 VanDerWaalsContact O-N 3.08Å; Q670-S673 PolarHBondContact O-OG 3.15Å; Q670-Q674 WeakPolarHBondContact O-CG 3.45Å; Q670-Q674 PolarHBondContact O-N 2.87Å; Q670-Q674 VanDerWaalsContact O-N 3.13Å
671	I	93.8	Very high	71.4	Confident	20 Å²	20	78.2 Å²	78.2	10%	0.103	45%	0.448	C	S	.	.	H	α-helix	trans	-55.9	-47.4	176.1	-63.6	163.4	0	0	0	111	I634 E638 C641 A667 I668 S673 Q674	I634-I671 HydrophobicContact CD1-CD1 3.82Å; I634-I671 HydrophobicContact CG2-CD1 4.16Å; E638-I671 HydrophobicContact CG-CD1 3.82Å; E638-I671 HydrophobicContact CG-CG1 4.25Å; E638-I671 HydrophobicContact CG-CG2 4.36Å; C641-I671 HydrophobicContact CB-CG2 3.92Å; A667-I671 WeakPolarHBondContact O-CG1 3.24Å; A667-I671 PolarHBondContact O-N 3.33Å; I668-I671 PolarHBondContact O-N 3.1Å; I671-S673 VanDerWaalsContact C-N 3.29Å; I671-S673 PolarHBondContact O-N 2.92Å; I671-Q674 PolarHBondContact O-N 3.36Å
672	L	93.6	Very high	68.3	Low	9 Å²	9	83.4 Å²	83.4	5%	0.047	48%	0.483	C	S	.	.	H	α-helix	trans	-64.2	-33.5	178.7	-67.7	165.8	0	0	0	112.5	Y637 K646 A649 L650 F653 I668 Q669 Q670	Y637-L672 HydrophobicContact CD1-CD2 4.48Å; K646-L672 WeakPolarHBondContact CE-O 3.45Å; K646-L672 PolarHBondContact NZ-O 3.37Å; A649-L672 HydrophobicContact CB-CD2 3.92Å; L650-L672 HydrophobicContact CD2-CB 4.19Å; L650-L672 HydrophobicContact CD2-CD1 4.19Å; L650-L672 HydrophobicContact CD2-CD2 3.91Å; L650-L672 HydrophobicContact CD2-CG 4.33Å; L650-L672 HydrophobicContact CG-CD2 4.04Å; F653-L672 HydrophobicContact CB-CD1 3.84Å; F653-L672 HydrophobicContact CD1-CD1 3.53Å; F653-L672 HydrophobicContact CD2-CD1 4.23Å; F653-L672 HydrophobicContact CE1-CD1 4.15Å; F653-L672 HydrophobicContact CG-CD1 3.58Å; I668-L672 HydrophobicContact CG2-CD1 3.79Å; I668-L672 HydrophobicContact CG2-CG 4.22Å; I668-L672 VanDerWaalsContact O-CG 3.26Å; I668-L672 WeakPolarHBondContact O-CG 3.23Å; I668-L672 PolarHBondContact O-N 3.04Å; Q669-L672 PolarHBondContact O-N 3.42Å; Q670-L672 VanDerWaalsContact C-N 3.33Å; Q670-L672 PolarHBondContact O-N 3.23Å
673	S	89.5	Confident	65.3	Low	64 Å²	64	85.4 Å²	85.4	45%	0.448	50%	0.504	S	S	.	.	H	α-helix	trans	-75.9	-25.3	-179	74	0	0	0	0	114	Q669 Q670 I671 G675 L676	Q669-S673 VanDerWaalsContact O-CB 3.31Å; Q669-S673 WeakPolarHBondContact O-CB 3.11Å; Q669-S673 PolarHBondContact O-N 3.09Å; Q669-S673 PolarHBondContact O-OG 3.43Å; Q670-S673 WeakPolarHBondContact CA-OG 3.48Å; Q670-S673 PolarHBondContact O-N 3.26Å; Q670-S673 VanDerWaalsContact O-N 3.08Å; Q670-S673 PolarHBondContact O-OG 3.15Å; I671-S673 VanDerWaalsContact C-N 3.29Å; I671-S673 PolarHBondContact O-N 2.92Å; S673-G675 PolarHBondContact O-N 2.75Å; S673-L676 PolarHBondContact O-N 2.79Å; S673-L676 VanDerWaalsContact O-N 3.1Å
674	Q	77.6	Confident	62.3	Low	164 Å²	164	88.5 Å²	88.5	77%	0.766	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	24.1	-175.4	-77.4	174.9	7.9	0	0	115.3	Q670 I671	Q670-Q674 WeakPolarHBondContact O-CG 3.45Å; Q670-Q674 PolarHBondContact O-N 2.87Å; Q670-Q674 VanDerWaalsContact O-N 3.13Å; I671-Q674 PolarHBondContact O-N 3.36Å
675	G	51.2	Low	59.1	Low	54 Å²	54	97 Å²	97	56%	0.557	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.3	30.1	168.8	0	0	0	0	0	113.2	K646 S673	K646-G675 VanDerWaalsContact NZ-CA 3.29Å; K646-G675 PolarHBondContact NZ-O 3.31Å; S673-G675 PolarHBondContact O-N 2.75Å
676	L	39.1	Very low	56	Low	139 Å²	139	99.6 Å²	99.6	73%	0.728	59%	0.593	S	S	*	*	S	Bend	trans	-107.9	14.1	175.1	-94.1	153.7	0	0	0	113.1	S673	S673-L676 PolarHBondContact O-N 2.79Å; S673-L676 VanDerWaalsContact O-N 3.1Å
677	G	33	Very low	52.7	Low	72 Å²	72	98.3 Å²	98.3	74%	0.742	61%	0.606	S	S	*	*			trans	-129.3	76	179.7	0	0	0	0	0	113.1
678	S	27.4	Very low	49.5	Very low	117 Å²	117	103.2 Å²	103.2	82%	0.818	63%	0.633	S	S	*	*			trans	-169.3	48.8	153	56.6	0	0	0	0	110.9
679	S	24.7	Very low	46.2	Very low	108 Å²	108	112.6 Å²	112.6	76%	0.755	68%	0.677	S	S	*	*			trans	-90.1	96.7	157	56.2	0	0	0	0	107.4	E681	S679-E681 PolarHBondContact O-N 3.08Å
680	T	25.9	Very low	42.9	Very low	140 Å²	140	117 Å²	117	86%	0.859	70%	0.702	S	S	*	*			trans	-57.6	100.8	163.5	23.9	0	0	0	0	109
681	E	23.6	Very low	39.4	Very low	178 Å²	178	115.2 Å²	115.2	83%	0.832	71%	0.712	S	S	*	*			trans	-69.5	132.2	155.3	-77.6	-166.5	154.5	0	0	108.2	S679 A683	S679-E681 PolarHBondContact O-N 3.08Å; E681-A683 PolarHBondContact O-N 3.16Å
682	P	25.8	Very low	36.1	Very low	128 Å²	128	126.6 Å²	126.6	83%	0.831	75%	0.754	S	S	*	*			trans	-81.1	108.6	177.2	31.3	-28.8	0	0	0	109.2
683	A	25.9	Very low	32.7	Very low	92 Å²	92	130.5 Å²	130.5	76%	0.76	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-86.1	148	166.3	0	0	0	0	0	110.3	E681	E681-A683 PolarHBondContact O-N 3.16Å
684	P	26.1	Very low	29.6	Very low	125 Å²	125	136.5 Å²	136.5	81%	0.812	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-77.9	150.9	-156.6	32.8	-35.2	0	0	0	113.3
685	E	22.6	Very low	27.1	Very low	192 Å²	192	133 Å²	133	90%	0.897	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-61.2	141.3	-179.7	-68.3	-165.3	162.6	0	0	113.2
686	P	27.3	Very low	25.8	Very low	127 Å²	127	137.5 Å²	137.5	83%	0.825	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-88.7	128.2	176.2	33.1	-29.8	0	0	0	111.8
687	S	25	Very low	25	Very low	117 Å²	117	136.5 Å²	136.5	82%	0.818	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-70.7	131.4	167	50.2	0	0	0	0	111.4
688	T	24.8	Very low	24.5	Very low	133 Å²	133	140.5 Å²	140.5	82%	0.816	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-56.1	135.2	171.5	8.4	0	0	0	0	113.3
689	E	25.2	Very low	24.3	Very low	198 Å²	198	139.6 Å²	139.6	93%	0.925	82%	0.817	S	S	*	*			trans	-160.7	142.2	140.4	-114.5	176.5	-162.6	0	0	113.1
690	L	23.9	Very low	24.3	Very low	172 Å²	172	142.3 Å²	142.3	90%	0.901	82%	0.823	S	S	*	*			trans	-92.6	134.6	-173.1	-87.4	121.1	0	0	0	112.4
691	G	22.6	Very low	24.2	Very low	70 Å²	70	140.2 Å²	140.2	72%	0.722	82%	0.82	S	S	*	*			trans	81.3	122.8	130.4	0	0	0	0	0	120.1
692	R	23.5	Very low	24.1	Very low	260 Å²	260	140.9 Å²	140.9	98%	0.981	82%	0.823	S	S	*	*				175.6	153.4	115.3	-96.8	175.9	177.2	-177.8	-0	112.3
693	A	23.2	Very low	24	Very low	91 Å²	91	138.8 Å²	138.8	75%	0.752	82%	0.816	S	S	*	*			trans	-81.8	160.2	-168.7	0	0	0	0	0	115.1
694	E	24	Very low	23.8	Very low	190 Å²	190	141.1 Å²	141.1	89%	0.888	82%	0.815	S	S	*	*				178.3	134.2	112.7	-96.8	-179.9	178.3	0	0	114.2
695	A	23.5	Very low	23.7	Very low	90 Å²	90	143.2 Å²	143.2	74%	0.744	82%	0.819	S	S	*	*			trans	24.7	133.3	146.3	0	0	0	0	0	125.6
696	D	23.8	Very low	23.7	Very low	149 Å²	149	141.7 Å²	141.7	80%	0.797	82%	0.816	S	S	*	*				121.8	129.4	116.5	-105.6	-5.8	0	0	0	122.3
697	T	24	Very low	23.4	Very low	117 Å²	117	139 Å²	139	72%	0.718	81%	0.812	S	S	*	*			trans	68.1	104.4	153.2	60.3	0	0	0	0	123.6
698	D	22.8	Very low	23.3	Very low	156 Å²	156	140.9 Å²	140.9	83%	0.834	81%	0.812	S	S	*	*				80.1	134.6	107.5	-138.2	9	0	0	0	123.3
699	S	22.6	Very low	23.1	Very low	99 Å²	99	143.3 Å²	143.3	69%	0.692	81%	0.814	S	S	*	*			trans	80.1	119.8	160.5	74.4	0	0	0	0	122.7
700	D	23.4	Very low	23	Very low	165 Å²	165	139.2 Å²	139.2	88%	0.882	80%	0.803	S	S	*	*			trans	57.2	99.4	141.9	-72.4	-17	0	0	0	121.7
701	A	24.6	Very low	22.9	Very low	96 Å²	96	136.9 Å²	136.9	79%	0.793	80%	0.798	S	S	*	*				-178.3	103.3	124.3	0	0	0	0	0	110.1	A703	A701-A703 VanDerWaalsContact C-N 3.32Å; A701-A703 PolarHBondContact O-N 3.43Å
702	Q	22.3	Very low	23	Very low	192 Å²	192	138.4 Å²	138.4	90%	0.897	80%	0.798	S	S	*	*			trans	-72.6	89.2	164.7	-91.9	-178.5	-12.5	0	0	109.5
703	A	23.2	Very low	23	Very low	83 Å²	83	131.2 Å²	131.2	69%	0.686	79%	0.788	S	S	*	*			trans	-103	92.3	156.6	0	0	0	0	0	107.6	A701 L705	A701-A703 VanDerWaalsContact C-N 3.32Å; A701-A703 PolarHBondContact O-N 3.43Å; A703-L705 PolarHBondContact O-N 2.93Å; A703-L705 VanDerWaalsContact O-N 3.14Å
704	L	22.4	Very low	23	Very low	142 Å²	142	131.2 Å²	131.2	74%	0.743	79%	0.788	S	S	*	*			trans	-78.6	92.7	170.8	-88.9	156.7	0	0	0	108.6	L706	L704-L706 PolarHBondContact O-N 3.27Å; L704-L706 VanDerWaalsContact O-N 3.15Å
705	L	22.1	Very low	23	Very low	168 Å²	168	128.7 Å²	128.7	88%	0.88	78%	0.778	S	S	*	*			trans	-61.4	100.4	156	-78.1	154.9	0	0	0	107.6	A703 G707	A703-L705 PolarHBondContact O-N 2.93Å; A703-L705 VanDerWaalsContact O-N 3.14Å; L705-G707 PolarHBondContact O-N 3.21Å
706	L	23.3	Very low	23.1	Very low	161 Å²	161	127.4 Å²	127.4	84%	0.843	76%	0.764	S	S	*	*			trans	-73.8	122.5	167.5	-78.6	162.6	0	0	0	108	L704	L704-L706 PolarHBondContact O-N 3.27Å; L704-L706 VanDerWaalsContact O-N 3.15Å
707	G	21.5	Very low	23.4	Very low	71 Å²	71	123 Å²	123	73%	0.732	74%	0.74	S	S	*	*			trans	-58.1	136.3	177.4	0	0	0	0	0	111.5	L705 E709	L705-G707 PolarHBondContact O-N 3.21Å; G707-E709 PolarHBondContact O-N 3.01Å
708	D	23.4	Very low	23.9	Very low	155 Å²	155	124.8 Å²	124.8	83%	0.829	73%	0.734	S	S	*	*			trans	-76.7	75.9	173.7	-148.9	9.8	0	0	0	108
709	E	20.8	Very low	24.6	Very low	184 Å²	184	120.6 Å²	120.6	86%	0.86	71%	0.712	S	S	*	*			trans	-90.9	90.2	161.2	-76.1	-152.9	162.3	0	0	108	G707 P711	G707-E709 PolarHBondContact O-N 3.01Å; E709-P711 WeakPolarHBondContact O-CD 3.47Å
710	T	21.6	Very low	25.1	Very low	112 Å²	112	117.7 Å²	117.7	69%	0.687	69%	0.69	S	S	*	*			trans	-60.6	123.6	160.5	48	0	0	0	0	108.3	S712	T710-S712 PolarHBondContact O-N 3.39Å
711	P	23.1	Very low	26	Very low	123 Å²	123	111.5 Å²	111.5	80%	0.799	66%	0.656	S	S	*	*			trans	-64.3	114.9	172.3	6.4	-0.3	0	0	0	108.9	E709	E709-P711 WeakPolarHBondContact O-CD 3.47Å
712	S	23.2	Very low	26.7	Very low	103 Å²	103	108.4 Å²	108.4	72%	0.72	63%	0.628	S	S	*	*	S	Bend	trans	-41	139.8	163.1	163.4	0	0	0	0	112.1	T710	T710-S712 PolarHBondContact O-N 3.39Å
713	S	25.2	Very low	27.3	Very low	109 Å²	109	99.5 Å²	99.5	76%	0.762	59%	0.587	S	S	*	*			trans	58.8	61.8	163.7	67.4	0	0	0	0	116.8
714	A	21.3	Very low	27.6	Very low	91 Å²	91	97.6 Å²	97.6	75%	0.752	57%	0.571	S	S	*	*			trans	-82.1	105.6	152.6	0	0	0	0	0	108.2	S716	A714-S716 PolarHBondContact O-N 3.02Å
715	I	25.7	Very low	27.8	Very low	136 Å²	136	95.4 Å²	95.4	70%	0.697	56%	0.562	S	S	*	*			trans	-52.6	116	159.6	-65.4	170.5	0	0	0	105.4	L717	I715-L717 PolarHBondContact O-N 3.41Å
716	S	25.8	Very low	28.1	Very low	64 Å²	64	91.6 Å²	91.6	45%	0.448	55%	0.546	S	S	.	.			trans	-65.8	109.4	-178	-149.6	0	0	0	0	107.6	A714 R718	A714-S716 PolarHBondContact O-N 3.02Å; S716-R718 PolarHBondContact O-N 3.26Å; S716-R718 WeakPolarHBondContact OG-CD 3.28Å; S716-R718 WeakPolarHBondContact OG-CG 3.49Å
717	L	28.9	Very low	28.4	Very low	55 Å²	55	87.7 Å²	87.7	29%	0.288	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	16.9	169.2	-82.5	156.7	0	0	0	113	L413 V419 I715 D719	L413-L717 HydrophobicContact CD1-CD2 3.95Å; L413-L717 HydrophobicContact CD2-CD2 3.62Å; L413-L717 HydrophobicContact CD2-CG 4.3Å; L413-L717 HydrophobicContact CG-CD2 4.44Å; V419-L717 HydrophobicContact CG1-CD1 4.18Å; V419-L717 HydrophobicContact CG2-CD1 4.28Å; V419-L717 HydrophobicContact CG2-CD2 4.25Å; I715-L717 PolarHBondContact O-N 3.41Å; L717-D719 VanDerWaalsContact C-N 3.31Å; L717-D719 PolarHBondContact O-N 2.71Å
718	R	34.3	Very low	28.8	Very low	156 Å²	156	88.7 Å²	88.7	59%	0.589	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-5.3	-173.2	-78.3	-174.9	179.1	170.8	-2.7	114.5	R630 S716	R630-R718 PolarHBondContact NH2-O 3.05Å; S716-R718 PolarHBondContact O-N 3.26Å; S716-R718 WeakPolarHBondContact OG-CD 3.28Å; S716-R718 WeakPolarHBondContact OG-CG 3.49Å
719	D	37.2	Very low	29.1	Very low	68 Å²	68	84.6 Å²	84.6	36%	0.364	50%	0.498	S	S	.	.			trans	-138.8	40.2	-163.5	-64.8	-66.5	0	0	0	113.3	R630 L717 N721	R630-D719 IonicContact CZ-OD1 3.24Å; R630-D719 IonicContact NH2-OD1 3.7Å; R630-D719 PolarHBondContact NH2-OD1 3.21Å; L717-D719 VanDerWaalsContact C-N 3.31Å; L717-D719 PolarHBondContact O-N 2.71Å; D719-N721 VanDerWaalsContact C-N 3.33Å; D719-N721 PolarHBondContact O-N 3.06Å; D719-N721 VanDerWaalsContact O-N 3.12Å
720	V	33.9	Very low	29.7	Very low	38 Å²	38	77.9 Å²	77.9	23%	0.23	47%	0.473	C	S	.	.			trans	-79.2	96.1	159.9	-163.9	0	0	0	0	106.1	N437 L438 V722	N437-V720 HydrophobicContact CB-CG2 4.21Å; L438-V720 HydrophobicContact CD1-CG1 4.27Å; L438-V720 HydrophobicContact CG-CG1 3.93Å; V720-V722 HydrophobicContact CB-CG2 4.44Å; V720-V722 HydrophobicContact CG1-CG2 4.25Å; V720-V722 WeakPolarHBondContact O-CG2 3.5Å; V720-V722 PolarHBondContact O-N 3.28Å
721	N	41.8	Very low	30.3	Very low	35 Å²	35	75.5 Å²	75.5	19%	0.187	46%	0.458	C	S	.	.			trans	-64.6	90.2	160.2	-168.4	2	0	0	0	106.9	M631 D719 S723 A724	M631-N721 WeakPolarHBondContact CB-ND2 3.25Å; M631-N721 WeakPolarHBondContact CG-ND2 3.42Å; M631-N721 PolarHBondContact SD-ND2 3.29Å; M631-N721 PolarHBondContact SD-OD1 3.38Å; D719-N721 VanDerWaalsContact C-N 3.33Å; D719-N721 PolarHBondContact O-N 3.06Å; D719-N721 VanDerWaalsContact O-N 3.12Å; N721-S723 PolarHBondContact O-N 3.16Å; N721-S723 PolarHBondContact OD1-OG 3.01Å; N721-A724 HydrophobicContact CB-CB 4.1Å; N721-A724 WeakPolarHBondContact ND2-CB 3.43Å; N721-A724 PolarHBondContact O-N 3.3Å
722	V	40.1	Very low	30.8	Very low	31 Å²	31	71.8 Å²	71.8	19%	0.188	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21	-176	-166.8	0	0	0	0	110.5	R402 L438 Y441 V720	R402-V722 PolarHBondContact NH1-O 3.07Å; L438-V722 HydrophobicContact CD2-CB 4.48Å; L438-V722 HydrophobicContact CD2-CG1 3.68Å; Y441-V722 HydrophobicContact CD1-CG1 4.08Å; Y441-V722 HydrophobicContact CD2-CG1 3.7Å; Y441-V722 HydrophobicContact CE1-CG1 4.16Å; Y441-V722 HydrophobicContact CE2-CG1 3.8Å; Y441-V722 HydrophobicContact CE2-CG2 4.22Å; Y441-V722 HydrophobicContact CG-CG1 3.85Å; V720-V722 HydrophobicContact CB-CG2 4.44Å; V720-V722 HydrophobicContact CG1-CG2 4.25Å; V720-V722 WeakPolarHBondContact O-CG2 3.5Å; V720-V722 PolarHBondContact O-N 3.28Å
723	S	35	Very low	31.4	Very low	5 Å²	5	69.3 Å²	69.3	4%	0.035	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-22.7	173.1	78.4	0	0	0	0	115.8	V325 F345 R402 N721	V325-S723 VanDerWaalsContact CG2-CB 3.4Å; V325-S723 WeakPolarHBondContact CG2-OG 3.41Å; F345-S723 VanDerWaalsContact CE1-O 3.29Å; F345-S723 WeakPolarHBondContact CE1-O 3.25Å; R402-S723 VanDerWaalsContact NH1-CA 3.29Å; R402-S723 PolarHBondContact NH1-O 2.93Å; R402-S723 PolarHBondContact NH2-O 3.18Å; N721-S723 PolarHBondContact O-N 3.16Å; N721-S723 PolarHBondContact OD1-OG 3.01Å
724	A	28.3	Very low	32	Very low	43 Å²	43	65.6 Å²	65.6	36%	0.355	38%	0.376	S	S	.	.			trans	-117.3	0	-171.2	0	0	0	0	0	114.4	R603 N721	R603-A724 PolarHBondContact NH2-OXT 3.39Å; N721-A724 HydrophobicContact CB-CB 4.1Å; N721-A724 WeakPolarHBondContact ND2-CB 3.43Å; N721-A724 PolarHBondContact O-N 3.3Å

Retrieved 724 of 724 residues in 194.8 ms (Link to these results)

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