A0A024RCX6_HUMAN Loading...

Lysosomal thioesterase PPT2

Catalyzes the cleavage of thioester bonds from S-palmitoyl-CoA or S-palmitoyl-N-acetylcysteamine (unbranched structures) but does not have activity against palmitoylcysteine or palmitoylated proteins, branched structures or bulky head groups. Conversely, hydrolyzes both long and short chain fatty acyl-CoA substrate.

AlphaFold DB (A0A024RCQ8), UniProt , Accession A0A024RCX6, Species HUMAN (Homo sapiens, Human), Gene PPT2, Length 302 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	41.6	Very low	228 Å²	228	157.2 Å²	157.2	100%	1.123	85%	0.848	S	S	*	*				0	99.1	0	-67.4	-176.8	-177.1	0	0	106.1
2	L	39	Very low	42	Very low	178 Å²	178	150.4 Å²	150.4	93%	0.932	83%	0.829	S	S	*	*				63.9	116.4	101.5	-70.1	160.1	0	0	0	110.6
3	G	36.9	Very low	42.2	Very low	63 Å²	63	155.6 Å²	155.6	65%	0.649	83%	0.829	S	S	*	*			cis	170.2	149.7	3.4	0	0	0	0	0	109.8
4	L	38.8	Very low	42.5	Very low	166 Å²	166	155.6 Å²	155.6	87%	0.869	84%	0.837	S	S	*	*			trans	51.1	115.1	139.1	-60.9	154.3	0	0	0	119.2
5	W	42.5	Very low	42.9	Very low	240 Å²	240	153.5 Å²	153.5	91%	0.909	82%	0.824	S	S	*	*				58.1	125.6	81	-97.5	48.1	0	0	0	116
6	G	38.2	Very low	43.5	Very low	66 Å²	66	152.9 Å²	152.9	68%	0.68	82%	0.82	S	S	*	*			trans	165.2	90.9	163.2	0	0	0	0	0	110.5
7	Q	39.4	Very low	43.5	Very low	173 Å²	173	153.6 Å²	153.6	81%	0.808	82%	0.823	S	S	*	*				108.4	137	73.3	-88.9	-85.7	-5.3	0	0	109.9
8	R	42.5	Very low	43.7	Very low	224 Å²	224	152.8 Å²	152.8	85%	0.845	82%	0.818	S	S	*	*			trans	-72.2	162.7	-179.3	-63.2	175.2	172.7	-169.8	-3	110.6
9	L	44.6	Very low	44.1	Very low	171 Å²	171	150.2 Å²	150.2	90%	0.895	81%	0.81	S	S	*	*				-173.3	143.3	115.2	-93	167.7	0	0	0	110.7
10	P	52.7	Low	44.5	Very low	117 Å²	117	153 Å²	153	76%	0.76	81%	0.814	S	S	*	*			trans	-91.2	145.4	175.2	36	-28.1	0	0	0	110.4
11	A	43.8	Very low	44.8	Very low	103 Å²	103	152.6 Å²	152.6	85%	0.851	81%	0.812	S	S	*	*			trans	-135	101.8	165.4	0	0	0	0	0	108.8
12	A	46.5	Very low	45.5	Very low	76 Å²	76	146.7 Å²	146.7	63%	0.628	79%	0.79	S	S	*	*			trans	-57.2	173.7	155.5	0	0	0	0	0	110.3
13	W	44.8	Very low	46.2	Very low	218 Å²	218	145.3 Å²	145.3	83%	0.826	78%	0.783	S	S	*	*			trans	88.9	64.5	172	-47.3	93.2	0	0	0	115.9	L15	W13-L15 VanDerWaalsContact C-N 3.33Å; W13-L15 HydrophobicContact CE3-CD1 4.25Å; W13-L15 HydrophobicContact CE3-CD2 4.47Å; W13-L15 HydrophobicContact CE3-CG 4.18Å; W13-L15 PolarHBondContact O-N 3.27Å
14	V	45.7	Very low	47	Very low	155 Å²	155	149.4 Å²	149.4	94%	0.939	79%	0.789	S	S	*	*			trans	-86.5	89.1	143.9	-179.5	0	0	0	0	106.6
15	L	48.7	Very low	47.8	Very low	124 Å²	124	148.2 Å²	148.2	65%	0.649	78%	0.783	S	S	*	*			trans	-62	136	169.5	-86.9	146.6	0	0	0	109.7	W13 L17	W13-L15 VanDerWaalsContact C-N 3.33Å; W13-L15 HydrophobicContact CE3-CD1 4.25Å; W13-L15 HydrophobicContact CE3-CD2 4.47Å; W13-L15 HydrophobicContact CE3-CG 4.18Å; W13-L15 PolarHBondContact O-N 3.27Å; L15-L17 PolarHBondContact O-N 3.4Å
16	L	52.5	Low	48.4	Very low	144 Å²	144	144.3 Å²	144.3	75%	0.754	78%	0.779	S	S	*	*			trans	-45.5	118.6	171.1	-76.8	118.8	0	0	0	111.9	L18	L16-L18 HydrophobicContact CD2-CD1 4.14Å
17	L	42.9	Very low	49.4	Very low	165 Å²	165	145.5 Å²	145.5	86%	0.864	78%	0.783	S	S	*	*			trans	-120.8	76.2	157.6	-72.5	171.6	0	0	0	107.7	L15 P19	L15-L17 PolarHBondContact O-N 3.4Å; L17-P19 WeakPolarHBondContact O-CD 3.36Å
18	L	48.4	Very low	50.5	Low	140 Å²	140	141.2 Å²	141.2	73%	0.733	78%	0.777	S	S	*	*			trans	-64.1	115.8	154.6	-79.7	158.3	0	0	0	106	L16 F20	L16-L18 HydrophobicContact CD2-CD1 4.14Å; L18-F20 PolarHBondContact O-N 2.81Å; L18-F20 VanDerWaalsContact O-N 3.16Å
19	P	51.4	Low	51.2	Low	103 Å²	103	136 Å²	136	67%	0.669	77%	0.772	S	S	*	*			trans	-67.4	120.9	173.3	28	-29.1	0	0	0	106.9	L17 L21	L17-P19 WeakPolarHBondContact O-CD 3.36Å; P19-L21 PolarHBondContact O-N 3.16Å
20	F	51.3	Low	51.8	Low	206 Å²	206	131.6 Å²	131.6	90%	0.904	76%	0.76	S	S	*	*			trans	-59	89.1	161.4	-81.2	-93.3	0	0	0	107.6	L18 P22	L18-F20 PolarHBondContact O-N 2.81Å; L18-F20 VanDerWaalsContact O-N 3.16Å; F20-P22 VanDerWaalsContact O-CD 3.27Å; F20-P22 WeakPolarHBondContact O-CD 3.27Å
21	L	50.5	Low	51.7	Low	145 Å²	145	131.8 Å²	131.8	76%	0.759	76%	0.761	S	S	*	*			trans	-65.9	117.2	158.3	-109.8	89.2	0	0	0	105.8	P19 L23	P19-L21 PolarHBondContact O-N 3.16Å; L21-L23 PolarHBondContact O-N 2.84Å
22	P	53.4	Low	51.9	Low	104 Å²	104	135.6 Å²	135.6	68%	0.675	76%	0.761	S	S	*	*			trans	-62.1	115.1	162.3	25.9	-28	0	0	0	106	F20 L24	F20-P22 VanDerWaalsContact O-CD 3.27Å; F20-P22 WeakPolarHBondContact O-CD 3.27Å; P22-L24 PolarHBondContact O-N 2.76Å
23	L	53.8	Low	52.4	Low	148 Å²	148	142.2 Å²	142.2	78%	0.775	77%	0.77	S	S	*	*			trans	-62.9	85.9	168.9	-161.3	83.8	0	0	0	106.5	L21 L25	L21-L23 PolarHBondContact O-N 2.84Å; L23-L25 HydrophobicContact CD2-CD1 4.06Å; L23-L25 HydrophobicContact CD2-CG 4.05Å; L23-L25 HydrophobicContact CG-CG 4.47Å; L23-L25 PolarHBondContact O-N 2.81Å
24	L	54.3	Low	53.2	Low	149 Å²	149	136.1 Å²	136.1	78%	0.78	77%	0.766	S	S	*	*			trans	-64.8	83.7	162.1	-99.8	135.8	0	0	0	105.8	P22 L26	P22-L24 PolarHBondContact O-N 2.76Å; L24-L26 PolarHBondContact O-N 3.01Å
25	L	55.8	Low	55	Low	141 Å²	141	133.7 Å²	133.7	74%	0.738	76%	0.756	S	S	*	*			trans	-57.3	93.2	153.9	-82.1	151.3	0	0	0	105	L23 A27	L23-L25 HydrophobicContact CD2-CD1 4.06Å; L23-L25 HydrophobicContact CD2-CG 4.05Å; L23-L25 HydrophobicContact CG-CG 4.47Å; L23-L25 PolarHBondContact O-N 2.81Å; L25-A27 PolarHBondContact O-N 3Å
26	L	55.2	Low	57.1	Low	158 Å²	158	131 Å²	131	83%	0.827	74%	0.738	S	S	*	*			trans	-52.2	99.6	155.6	-83.7	151	0	0	0	104.4	L24 A28	L24-L26 PolarHBondContact O-N 3.01Å; L26-A28 VanDerWaalsContact C-N 3.26Å; L26-A28 PolarHBondContact O-N 2.82Å
27	A	59.7	Low	59.2	Low	92 Å²	92	126.5 Å²	126.5	76%	0.76	71%	0.712	S	S	*	*			trans	-54.7	104.5	165.8	0	0	0	0	0	104.5	L25	L25-A27 PolarHBondContact O-N 3Å
28	A	61.4	Low	61.9	Low	82 Å²	82	120 Å²	120	68%	0.678	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-50.9	128.8	168.7	0	0	0	0	0	105.3	L26 A30	L26-A28 VanDerWaalsContact C-N 3.26Å; L26-A28 PolarHBondContact O-N 2.82Å; A28-A30 PolarHBondContact O-N 2.82Å
29	P	56.9	Low	64.2	Low	115 Å²	115	113.3 Å²	113.3	75%	0.747	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-50.4	124.2	173.8	19.5	-29	0	0	0	106.2
30	A	58.4	Low	66.5	Low	78 Å²	78	108.4 Å²	108.4	65%	0.645	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-46.4	133.9	173	0	0	0	0	0	106.4	A28 H32	A28-A30 PolarHBondContact O-N 2.82Å; A30-H32 PolarHBondContact O-N 2.75Å
31	P	49.6	Very low	68.8	Low	121 Å²	121	98.6 Å²	98.6	79%	0.786	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-49.8	120.7	177.9	20.9	-30.8	0	0	0	106.1	R33	P31-R33 VanDerWaalsContact C-N 3.26Å; P31-R33 PolarHBondContact O-N 2.91Å
32	H	49.3	Very low	71.1	Confident	183 Å²	183	91.7 Å²	91.7	85%	0.847	53%	0.534	S	S	*	.			trans	-53	105.3	170.1	-83.4	-69.9	0	0	0	104.4	A30 A34	A30-H32 PolarHBondContact O-N 2.75Å; H32-A34 PolarHBondContact O-N 2.89Å
33	R	55.7	Low	73.2	Confident	216 Å²	216	87 Å²	87	82%	0.815	50%	0.503	S	S	*	.			trans	-53.9	112.8	168.7	-117.7	-179.5	-179.4	179.1	-1.3	103.1	P31 S35	P31-R33 VanDerWaalsContact C-N 3.26Å; P31-R33 PolarHBondContact O-N 2.91Å; R33-S35 PolarHBondContact O-N 3.14Å
34	A	62.3	Low	75.3	Confident	89 Å²	89	80.1 Å²	80.1	74%	0.736	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-52.3	118.4	175.5	0	0	0	0	0	105.7	H32 Y36	H32-A34 PolarHBondContact O-N 2.89Å; A34-Y36 PolarHBondContact O-N 2.63Å
35	S	82.7	Confident	77.3	Confident	105 Å²	105	74.4 Å²	74.4	73%	0.734	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-65.2	129.4	178.4	-177.5	0	0	0	0	107	R33	R33-S35 PolarHBondContact O-N 3.14Å
36	Y	94.3	Very high	79.2	Confident	68 Å²	68	71 Å²	71	27%	0.267	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-56.5	147.4	173.2	-60.4	-64.3	0	0	0	110.5	A34 H63 T66	A34-Y36 PolarHBondContact O-N 2.63Å; Y36-H63 HydrophobicContact CD1-CB 4.43Å; Y36-H63 AromaticContact CD1-CD2 3.55Å; Y36-H63 HydrophobicContact CD2-CB 3.72Å; Y36-H63 HydrophobicContact CE1-CB 4.48Å; Y36-H63 AromaticContact CE1-CD2 3.43Å; Y36-H63 VanDerWaalsContact CE1-CD2 3.43Å; Y36-H63 WeakPolarHBondContact CE1-CD2 3.36Å; Y36-H63 VanDerWaalsContact CE2-CA 3.45Å; Y36-H63 HydrophobicContact CE2-CB 3.75Å; Y36-H63 HydrophobicContact CG-CB 4.05Å; Y36-H63 AromaticContact CZ-CD2 3.78Å; Y36-T66 WeakPolarHBondContact CB-OG1 3.25Å; Y36-T66 VanDerWaalsContact CD2-OG1 3.3Å; Y36-T66 WeakPolarHBondContact CD2-OG1 3.45Å
37	K	96.7	Very high	81.1	Confident	49 Å²	49	64.3 Å²	64.3	21%	0.213	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-66.3	144.3	177.3	-65.3	177.4	-170.4	175.2	0	109.4	Q103 D130	K37-Q103 WeakPolarHBondContact CE-O 3.35Å; K37-D130 HydrophobicContact CD-CB 4.14Å; K37-D130 IonicContact NZ-OD1 2.89Å; K37-D130 PolarHBondContact NZ-OD1 2.96Å; K37-D130 IonicContact NZ-OD2 3.45Å; K37-D130 PolarHBondContact NZ-OD2 3.05Å
38	P	97.7	Very high	82.8	Confident	27 Å²	27	61.4 Å²	61.4	18%	0.175	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-59.2	144.7	175.4	-24.4	35.1	0	0	0	112	V67 A101 V105 H106	P38-V67 CarbonylContact C-O 3.36Å; P38-V67 VanDerWaalsContact CA-O 3.25Å; P38-V67 WeakPolarHBondContact CA-O 3.35Å; P38-V67 HydrophobicContact CB-CB 4.32Å; P38-A101 HydrophobicContact CG-CB 3.88Å; P38-V105 HydrophobicContact CB-CG1 4.19Å; P38-V105 HydrophobicContact CG-CG1 4.4Å; P38-V105 CarbonylContact O-C 3.32Å; P38-V105 WeakPolarHBondContact O-CA 3.42Å; P38-V105 WeakPolarHBondContact O-CB 3.35Å; P38-H106 PolarHBondContact O-N 3.04Å
39	V	98.7	Very high	84.3	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.2	175.7	-178.4	0	0	0	0	108.6	V41 I59 T66 V67 V68 T69 H106 I108 L301	V39-V41 HydrophobicContact CG1-CG2 4.2Å; V39-I59 HydrophobicContact CG1-CD1 4.36Å; V39-T66 HydrophobicContact CG2-CG2 3.84Å; V39-V67 PolarHBondContact N-O 3.32Å; V39-V68 HydrophobicContact CB-CB 4.5Å; V39-V68 HydrophobicContact CB-CG1 4.06Å; V39-V68 HydrophobicContact CB-CG2 4.23Å; V39-V68 HydrophobicContact CG1-CG1 4.2Å; V39-V68 CarbonylContact O-C 3.59Å; V39-V68 WeakPolarHBondContact O-CA 3.47Å; V39-T69 PolarHBondContact O-N 2.89Å; V39-H106 CarbonylContact C-O 3.35Å; V39-H106 WeakPolarHBondContact CA-O 3.43Å; V39-H106 HydrophobicContact CG2-CB 4.35Å; V39-I108 HydrophobicContact CG1-CD1 3.73Å; V39-I108 HydrophobicContact CG1-CG1 3.99Å; V39-L301 HydrophobicContact CG2-CD2 3.91Å
40	I	98.8	Very high	86	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.5	174.2	-52.5	173.4	0	0	0	108	T69 L71 V94 I97 V105 H106 L107 I108	I40-T69 CarbonylContact C-O 3.3Å; I40-T69 WeakPolarHBondContact CA-O 3.29Å; I40-L71 HydrophobicContact CG2-CD1 3.57Å; I40-L71 HydrophobicContact CG2-CD2 4.46Å; I40-L71 HydrophobicContact CG2-CG 3.85Å; I40-V94 HydrophobicContact CD1-CG1 3.99Å; I40-V94 HydrophobicContact CD1-CG2 4.25Å; I40-V94 HydrophobicContact CG2-CG2 4.17Å; I40-I97 HydrophobicContact CD1-CB 3.96Å; I40-I97 HydrophobicContact CD1-CD1 4.06Å; I40-I97 HydrophobicContact CD1-CG2 3.72Å; I40-I97 HydrophobicContact CG1-CD1 4.21Å; I40-I97 HydrophobicContact CG1-CG2 3.99Å; I40-V105 HydrophobicContact CD1-CB 4.49Å; I40-V105 HydrophobicContact CD1-CG2 4.19Å; I40-H106 PolarHBondContact N-O 3.21Å; I40-L107 HydrophobicContact CB-CD2 3.66Å; I40-L107 HydrophobicContact CD1-CD2 4.02Å; I40-L107 HydrophobicContact CG1-CD2 4.26Å; I40-L107 HydrophobicContact CG2-CD2 4.25Å; I40-L107 CarbonylContact O-C 3.43Å; I40-L107 WeakPolarHBondContact O-CA 3.44Å; I40-I108 PolarHBondContact O-N 2.84Å
41	V	98.8	Very high	87.7	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.4	-179.3	-174	0	0	0	0	110.2	V39 F52 L55 V68 T69 V70 L71 I108	V39-V41 HydrophobicContact CG1-CG2 4.2Å; V41-F52 HydrophobicContact CG1-CD1 3.55Å; V41-F52 HydrophobicContact CG1-CD2 4.33Å; V41-F52 HydrophobicContact CG1-CE1 3.63Å; V41-F52 HydrophobicContact CG1-CE2 4.44Å; V41-F52 HydrophobicContact CG1-CG 3.9Å; V41-F52 HydrophobicContact CG1-CZ 4.1Å; V41-L55 HydrophobicContact CG2-CD2 4.47Å; V41-V68 HydrophobicContact CG2-CG1 4.05Å; V41-T69 PolarHBondContact N-O 3.03Å; V41-V70 HydrophobicContact CB-CB 4.26Å; V41-V70 HydrophobicContact CB-CG1 4Å; V41-V70 HydrophobicContact CB-CG2 4.04Å; V41-V70 HydrophobicContact CG1-CG1 4.1Å; V41-V70 HydrophobicContact CG2-CG2 4.26Å; V41-L71 PolarHBondContact O-N 2.93Å; V41-I108 VanDerWaalsContact CA-O 3.25Å; V41-I108 WeakPolarHBondContact CA-O 3.34Å; V41-I108 HydrophobicContact CG2-CB 4.34Å
42	V	98.8	Very high	90	Very high	1 Å²	1	54 Å²	54	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.5	175.5	178.8	0	0	0	0	109.1	L71 F90 I108 C109 Y110	V42-L71 HydrophobicContact CG2-CD1 4.21Å; V42-F90 HydrophobicContact CG1-CD1 4.25Å; V42-F90 HydrophobicContact CG1-CD2 4.32Å; V42-F90 HydrophobicContact CG1-CE1 3.91Å; V42-F90 HydrophobicContact CG1-CE2 3.97Å; V42-F90 HydrophobicContact CG1-CG 4.45Å; V42-F90 HydrophobicContact CG1-CZ 3.75Å; V42-F90 HydrophobicContact CG2-CD1 4.12Å; V42-F90 HydrophobicContact CG2-CE1 4.28Å; V42-I108 PolarHBondContact N-O 2.89Å; V42-C109 HydrophobicContact CB-CB 4.26Å; V42-C109 WeakPolarHBondContact O-CA 3.25Å; V42-Y110 PolarHBondContact O-N 2.96Å
43	H	98.3	Very high	92.3	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.028	25%	0.253	C	S	.	.			trans	-81.4	173.1	-174.2	71.6	77.1	0	0	0	113.2	D47 F52 L73 F74 D75 G113	H43-D47 HydrophobicContact CB-CB 4.07Å; H43-D47 PolarHBondContact CE1-O 3.46Å; H43-F52 HydrophobicContact CB-CE2 3.45Å; H43-F52 VanDerWaalsContact CB-CE2 3.45Å; H43-F52 HydrophobicContact CB-CZ 3.93Å; H43-L73 PolarHBondContact NE2-O 3.33Å; H43-F74 PolarHBondContact CE1-O 2.83Å; H43-D75 IonicContact CD2-OD1 3.09Å; H43-D75 IonicContact NE2-OD1 3.77Å; H43-D75 PolarHBondContact NE2-OD1 3.23Å; H43-G113 VanDerWaalsContact O-CA 3.28Å; H43-G113 WeakPolarHBondContact O-CA 3.43Å; H43-G113 PolarHBondContact O-N 3.45Å
44	G	97.4	Very high	94.3	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.021	23%	0.225	C	C	.	.			trans	-99.2	-169.3	179.8	0	0	0	0	0	114.3	F46 D47 Y110	G44-F46 PolarHBondContact O-N 2.96Å; G44-D47 WeakPolarHBondContact O-CB 3.49Å; G44-D47 PolarHBondContact O-N 2.64Å; G44-Y110 WeakPolarHBondContact CA-O 3.41Å; G44-Y110 PolarHBondContact N-O 3.24Å
45	L	96.1	Very high	96	Very high	29 Å²	29	38.1 Å²	38.1	15%	0.152	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	133.4	177.7	-170.4	74.7	0	0	0	111.7	D47 S79 L80 Q112 Y148 I175	L45-D47 PolarHBondContact O-N 3.45Å; L45-D47 VanDerWaalsContact O-N 3.15Å; L45-S79 WeakPolarHBondContact CA-OG 3.17Å; L45-S79 VanDerWaalsContact CD1-OG 3.28Å; L45-S79 WeakPolarHBondContact CD1-OG 3.46Å; L45-L80 HydrophobicContact CD1-CD2 3.66Å; L45-L80 HydrophobicContact CD1-CG 4.23Å; L45-Q112 VanDerWaalsContact CB-OE1 3.3Å; L45-Y148 HydrophobicContact CD2-CD2 3.94Å; L45-Y148 HydrophobicContact CD2-CE2 3.94Å; L45-I175 HydrophobicContact CD1-CD1 4.39Å; L45-I175 HydrophobicContact CD1-CG1 4.22Å; L45-I175 HydrophobicContact CD2-CD1 3.91Å; L45-I175 HydrophobicContact CD2-CG1 4.02Å
46	F	95.9	Very high	96.7	Very high	70 Å²	70	36 Å²	36	31%	0.307	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	10.7	179.4	-56.8	-53.9	0	0	0	116.2	G44 G76 R77 S79 L80 W151 L152	G44-F46 PolarHBondContact O-N 2.96Å; F46-G76 WeakPolarHBondContact CA-O 3.36Å; F46-G76 WeakPolarHBondContact CD1-O 3.38Å; F46-R77 HydrophobicContact CE1-CG 4.41Å; F46-S79 PolarHBondContact N-OG 2.74Å; F46-L80 HydrophobicContact CE1-CD1 3.65Å; F46-L80 HydrophobicContact CE1-CD2 4.25Å; F46-L80 HydrophobicContact CE1-CG 3.84Å; F46-L80 HydrophobicContact CZ-CD1 3.85Å; F46-L80 HydrophobicContact CZ-CD2 3.9Å; F46-L80 HydrophobicContact CZ-CG 4.01Å; F46-W151 HydrophobicContact CE1-CZ3 4.29Å; F46-W151 HydrophobicContact CE2-CZ3 4.07Å; F46-W151 AromaticContact CZ-CZ3 3.7Å; F46-W151 HydrophobicContact CZ-CZ3 3.7Å; F46-L152 HydrophobicContact CE2-CD1 4.33Å; F46-L152 HydrophobicContact CZ-CD1 4.12Å; F46-L152 HydrophobicContact CZ-CD2 4.27Å
47	D	95.2	Very high	96.8	Very high	18 Å²	18	36.9 Å²	36.9	10%	0.096	18%	0.177	C	C	.	.			trans	-99.4	178.4	-176.1	-154.2	-2.9	0	0	0	112.1	H43 G44 L45 S51 D75 G76	H43-D47 HydrophobicContact CB-CB 4.07Å; H43-D47 PolarHBondContact CE1-O 3.46Å; G44-D47 WeakPolarHBondContact O-CB 3.49Å; G44-D47 PolarHBondContact O-N 2.64Å; L45-D47 PolarHBondContact O-N 3.45Å; L45-D47 VanDerWaalsContact O-N 3.15Å; D47-S51 WeakPolarHBondContact OD1-CB 3.48Å; D47-S51 PolarHBondContact OD1-OG 3.39Å; D47-D75 WeakPolarHBondContact O-CA 3.33Å; D47-G76 PolarHBondContact O-N 3.38Å
48	S	95.2	Very high	96.9	Very high	31 Å²	31	36 Å²	36	22%	0.217	17%	0.172	C	C	.	.			trans	-154.1	-179.5	170.9	70.3	0	0	0	0	110.7	Y50 S51 D75	S48-Y50 PolarHBondContact O-N 2.64Å; S48-Y50 VanDerWaalsContact O-N 3.12Å; S48-Y50 PolarHBondContact OG-N 3.23Å; S48-S51 PolarHBondContact O-N 2.97Å; S48-D75 WeakPolarHBondContact CB-OD2 3.42Å
49	S	92.8	Very high	96.9	Very high	33 Å²	33	34.7 Å²	34.7	23%	0.231	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-57.5	-27.4	176.8	57.2	0	0	0	0	114.9	S51 F52 D72	S49-S51 PolarHBondContact O-N 3.45Å; S49-F52 PolarHBondContact O-N 3.35Å; S49-F52 VanDerWaalsContact O-N 3.1Å; S49-D72 WeakPolarHBondContact CB-OD1 3.43Å; S49-D72 PolarHBondContact OG-OD1 3.28Å
50	Y	92.9	Very high	96.9	Very high	171 Å²	171	39.8 Å²	39.8	67%	0.671	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-58.6	-33.8	-176.5	-179.1	-101.4	0	0	0	112.9	S48 F52 R53	S48-Y50 PolarHBondContact O-N 2.64Å; S48-Y50 VanDerWaalsContact O-N 3.12Å; S48-Y50 PolarHBondContact OG-N 3.23Å; Y50-F52 PolarHBondContact O-N 2.97Å; Y50-R53 PolarHBondContact O-N 3.3Å
51	S	95.1	Very high	96.8	Very high	36 Å²	36	45.4 Å²	45.4	25%	0.252	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-67.8	-20.2	-178.5	-63.8	0	0	0	0	113.6	D47 S48 S49 R53 H287	D47-S51 WeakPolarHBondContact OD1-CB 3.48Å; D47-S51 PolarHBondContact OD1-OG 3.39Å; S48-S51 PolarHBondContact O-N 2.97Å; S49-S51 PolarHBondContact O-N 3.45Å; S51-R53 VanDerWaalsContact C-N 3.33Å; S51-R53 PolarHBondContact O-N 2.9Å; S51-H287 PolarHBondContact O-CE1 3.38Å; S51-H287 PolarHBondContact O-ND1 2.9Å
52	F	97.3	Very high	96.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-89	6.2	-177.7	-63.4	-86.8	0	0	0	113.7	V41 H43 S49 Y50 H54 L55 L56 V70 Y110 H287	V41-F52 HydrophobicContact CG1-CD1 3.55Å; V41-F52 HydrophobicContact CG1-CD2 4.33Å; V41-F52 HydrophobicContact CG1-CE1 3.63Å; V41-F52 HydrophobicContact CG1-CE2 4.44Å; V41-F52 HydrophobicContact CG1-CG 3.9Å; V41-F52 HydrophobicContact CG1-CZ 4.1Å; H43-F52 HydrophobicContact CB-CE2 3.45Å; H43-F52 VanDerWaalsContact CB-CE2 3.45Å; H43-F52 HydrophobicContact CB-CZ 3.93Å; S49-F52 PolarHBondContact O-N 3.35Å; S49-F52 VanDerWaalsContact O-N 3.1Å; Y50-F52 PolarHBondContact O-N 2.97Å; F52-H54 PolarHBondContact O-N 3.36Å; F52-H54 VanDerWaalsContact O-N 3.13Å; F52-L55 HydrophobicContact CB-CB 4.49Å; F52-L55 HydrophobicContact CD1-CD2 3.85Å; F52-L55 WeakPolarHBondContact O-CB 3.45Å; F52-L55 PolarHBondContact O-N 3.04Å; F52-L56 WeakPolarHBondContact O-CG 3.28Å; F52-L56 PolarHBondContact O-N 3.5Å; F52-V70 HydrophobicContact CB-CG1 4.44Å; F52-V70 HydrophobicContact CB-CG2 4.21Å; F52-V70 HydrophobicContact CD2-CG1 3.91Å; F52-V70 HydrophobicContact CG-CG1 4.3Å; F52-Y110 HydrophobicContact CE1-CD1 4.47Å; F52-Y110 HydrophobicContact CE1-CG 4.44Å; F52-Y110 AromaticContact CZ-CD1 3.9Å; F52-Y110 HydrophobicContact CZ-CD1 3.9Å; F52-Y110 HydrophobicContact CZ-CG 4.22Å; F52-H287 HydrophobicContact CD1-CB 3.87Å; F52-H287 HydrophobicContact CE1-CB 3.75Å
53	R	96.9	Very high	96.5	Very high	107 Å²	107	47.1 Å²	47.1	40%	0.404	23%	0.228	S	C	.	.	H	α-helix	trans	-50.8	-41.3	-179.2	67.5	-176.3	-174.5	78.8	6.4	113.7	Y50 S51 L56 E57	Y50-R53 PolarHBondContact O-N 3.3Å; S51-R53 VanDerWaalsContact C-N 3.33Å; S51-R53 PolarHBondContact O-N 2.9Å; R53-L56 PolarHBondContact O-N 3.14Å; R53-E57 VanDerWaalsContact O-CG 3.29Å; R53-E57 WeakPolarHBondContact O-CG 3.05Å; R53-E57 PolarHBondContact O-N 3.29Å
54	H	97.8	Very high	96.4	Very high	47 Å²	47	50 Å²	50	22%	0.218	25%	0.247	C	C	.	.	H	α-helix	trans	-70.5	-40.7	178.2	-74.6	-51.4	0	0	0	112.5	F52 L56 E57 Y58	F52-H54 PolarHBondContact O-N 3.36Å; F52-H54 VanDerWaalsContact O-N 3.13Å; H54-L56 VanDerWaalsContact C-N 3.29Å; H54-L56 PolarHBondContact O-N 2.92Å; H54-E57 IonicContact CE1-OE2 3.77Å; H54-E57 IonicContact CG-OE2 3.68Å; H54-E57 IonicContact ND1-OE2 3.92Å; H54-E57 PolarHBondContact ND1-OE2 3.15Å; H54-E57 WeakPolarHBondContact O-CB 3.27Å; H54-E57 PolarHBondContact O-N 2.7Å; H54-Y58 HydrophobicContact CB-CE1 4.46Å; H54-Y58 HydrophobicContact CB-CE2 4.18Å; H54-Y58 WeakPolarHBondContact O-CD1 3.23Å; H54-Y58 VanDerWaalsContact O-CD2 3.3Å; H54-Y58 WeakPolarHBondContact O-CD2 3.28Å; H54-Y58 PolarHBondContact O-N 3.21Å
55	L	98.2	Very high	96.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-42.4	173.6	-177	62	0	0	0	111.1	V41 F52 Y58 I59 I108 Y293 I297	V41-L55 HydrophobicContact CG2-CD2 4.47Å; F52-L55 HydrophobicContact CB-CB 4.49Å; F52-L55 HydrophobicContact CD1-CD2 3.85Å; F52-L55 WeakPolarHBondContact O-CB 3.45Å; F52-L55 PolarHBondContact O-N 3.04Å; L55-Y58 PolarHBondContact O-N 3.37Å; L55-I59 HydrophobicContact CD1-CD1 4.17Å; L55-I59 HydrophobicContact CD1-CG1 4.42Å; L55-I59 HydrophobicContact CG-CD1 3.96Å; L55-I59 VanDerWaalsContact O-CG1 3.3Å; L55-I59 WeakPolarHBondContact O-CG1 3.43Å; L55-I59 PolarHBondContact O-N 3.06Å; L55-I108 HydrophobicContact CD2-CD1 4.05Å; L55-I108 HydrophobicContact CD2-CG2 4.17Å; L55-Y293 HydrophobicContact CD1-CD2 3.63Å; L55-Y293 HydrophobicContact CD1-CE2 4.06Å; L55-I297 HydrophobicContact CD1-CD1 4.18Å
56	L	97.6	Very high	96.1	Very high	61 Å²	61	52.3 Å²	52.3	32%	0.319	27%	0.274	S	S	.	.	H	α-helix	trans	-62.8	-43.6	176	-63.9	179.4	0	0	0	112.2	F52 R53 H54 Y58 I59 N60 V68 V70	F52-L56 WeakPolarHBondContact O-CG 3.28Å; F52-L56 PolarHBondContact O-N 3.5Å; R53-L56 PolarHBondContact O-N 3.14Å; H54-L56 VanDerWaalsContact C-N 3.29Å; H54-L56 PolarHBondContact O-N 2.92Å; L56-Y58 VanDerWaalsContact C-N 3.34Å; L56-Y58 PolarHBondContact O-N 3.46Å; L56-I59 PolarHBondContact O-N 3.07Å; L56-N60 VanDerWaalsContact O-CB 3.3Å; L56-N60 WeakPolarHBondContact O-CB 3.07Å; L56-N60 PolarHBondContact O-N 3.41Å; L56-V68 HydrophobicContact CD2-CB 3.73Å; L56-V68 HydrophobicContact CD2-CG1 3.28Å; L56-V68 HydrophobicContact CD2-CG2 4.45Å; L56-V70 HydrophobicContact CD1-CG2 4.05Å; L56-V70 HydrophobicContact CD2-CG2 3.85Å; L56-V70 HydrophobicContact CG-CG2 4.25Å
57	E	97.8	Very high	96.1	Very high	86 Å²	86	53.1 Å²	53.1	40%	0.402	28%	0.284	S	S	.	.	H	α-helix	trans	-56.2	-48.8	173.6	-73.8	162.4	-174.4	0	0	110.6	R53 H54 N60 E61	R53-E57 VanDerWaalsContact O-CG 3.29Å; R53-E57 WeakPolarHBondContact O-CG 3.05Å; R53-E57 PolarHBondContact O-N 3.29Å; H54-E57 IonicContact CE1-OE2 3.77Å; H54-E57 IonicContact CG-OE2 3.68Å; H54-E57 IonicContact ND1-OE2 3.92Å; H54-E57 PolarHBondContact ND1-OE2 3.15Å; H54-E57 WeakPolarHBondContact O-CB 3.27Å; H54-E57 PolarHBondContact O-N 2.7Å; E57-N60 PolarHBondContact O-N 3.02Å; E57-E61 WeakPolarHBondContact O-CG 3.3Å; E57-E61 PolarHBondContact O-N 3.02Å
58	Y	98.4	Very high	96.2	Very high	30 Å²	30	54.2 Å²	54.2	12%	0.118	29%	0.291	C	S	.	.	H	α-helix	trans	-66.4	-42.3	-177.2	-53.8	-19.7	0	0	0	112.6	H54 L55 L56 N60 E61 T62 S288 R290 Y293	H54-Y58 HydrophobicContact CB-CE1 4.46Å; H54-Y58 HydrophobicContact CB-CE2 4.18Å; H54-Y58 WeakPolarHBondContact O-CD1 3.23Å; H54-Y58 VanDerWaalsContact O-CD2 3.3Å; H54-Y58 WeakPolarHBondContact O-CD2 3.28Å; H54-Y58 PolarHBondContact O-N 3.21Å; L55-Y58 PolarHBondContact O-N 3.37Å; L56-Y58 VanDerWaalsContact C-N 3.34Å; L56-Y58 PolarHBondContact O-N 3.46Å; Y58-N60 VanDerWaalsContact C-N 3.34Å; Y58-E61 PolarHBondContact O-N 3.09Å; Y58-T62 PolarHBondContact O-N 3.08Å; Y58-T62 VanDerWaalsContact O-N 3.08Å; Y58-T62 PolarHBondContact O-OG1 2.9Å; Y58-S288 PolarHBondContact OH-O 3.12Å; Y58-S288 VanDerWaalsContact OH-O 3.05Å; Y58-R290 HydrophobicContact CE2-CB 4.14Å; Y58-Y293 HydrophobicContact CD2-CD1 4.21Å; Y58-Y293 HydrophobicContact CD2-CD2 4.42Å; Y58-Y293 AromaticContact CD2-CG 3.86Å; Y58-Y293 HydrophobicContact CD2-CG 3.86Å; Y58-Y293 HydrophobicContact CG-CD1 4.21Å; Y58-Y293 HydrophobicContact CG-CG 4.27Å; Y58-Y293 PolarHBondContact O-OH 3.34Å
59	I	98.1	Very high	96.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-42.6	175.8	-64.8	168.7	0	0	0	110.7	V39 L55 L56 E61 T62 H63 T66 V68 I108 Y293 L301	V39-I59 HydrophobicContact CG1-CD1 4.36Å; L55-I59 HydrophobicContact CD1-CD1 4.17Å; L55-I59 HydrophobicContact CD1-CG1 4.42Å; L55-I59 HydrophobicContact CG-CD1 3.96Å; L55-I59 VanDerWaalsContact O-CG1 3.3Å; L55-I59 WeakPolarHBondContact O-CG1 3.43Å; L55-I59 PolarHBondContact O-N 3.06Å; L56-I59 PolarHBondContact O-N 3.07Å; I59-E61 VanDerWaalsContact C-N 3.28Å; I59-E61 PolarHBondContact O-N 3.28Å; I59-T62 PolarHBondContact O-N 3.41Å; I59-H63 HydrophobicContact CG2-CB 4.4Å; I59-H63 CarbonylContact O-C 3.55Å; I59-H63 WeakPolarHBondContact O-CA 3.44Å; I59-H63 WeakPolarHBondContact O-CB 3.45Å; I59-H63 PolarHBondContact O-N 3.13Å; I59-T66 HydrophobicContact CG2-CG2 4.17Å; I59-V68 HydrophobicContact CB-CG2 4.27Å; I59-V68 HydrophobicContact CD1-CG1 4.39Å; I59-V68 HydrophobicContact CD1-CG2 4.28Å; I59-V68 HydrophobicContact CG2-CG2 3.61Å; I59-I108 HydrophobicContact CD1-CD1 4.18Å; I59-Y293 VanDerWaalsContact CA-OH 3.31Å; I59-Y293 WeakPolarHBondContact CA-OH 3.34Å; I59-Y293 HydrophobicContact CG1-CE2 3.64Å; I59-L301 HydrophobicContact CD1-CD1 3.99Å; I59-L301 HydrophobicContact CG1-CD1 3.75Å
60	N	96.8	Very high	96.6	Very high	106 Å²	106	54.1 Å²	54.1	57%	0.567	29%	0.288	S	S	*	.	H	α-helix	trans	-65.7	-32.6	179	-176.8	62.5	0	0	0	112.6	L56 E57 Y58 P64	L56-N60 VanDerWaalsContact O-CB 3.3Å; L56-N60 WeakPolarHBondContact O-CB 3.07Å; L56-N60 PolarHBondContact O-N 3.41Å; E57-N60 PolarHBondContact O-N 3.02Å; Y58-N60 VanDerWaalsContact C-N 3.34Å; N60-P64 WeakPolarHBondContact O-CA 3.39Å
61	E	96.9	Very high	96.8	Very high	118 Å²	118	46.6 Å²	46.6	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-70.6	-46	176.2	-75.3	173.9	-168.4	0	0	112.9	E57 Y58 I59 R290	E57-E61 WeakPolarHBondContact O-CG 3.3Å; E57-E61 PolarHBondContact O-N 3.02Å; Y58-E61 PolarHBondContact O-N 3.09Å; I59-E61 VanDerWaalsContact C-N 3.28Å; I59-E61 PolarHBondContact O-N 3.28Å; E61-R290 IonicContact OE2-CZ 3.65Å; E61-R290 IonicContact OE2-NH1 3.85Å; E61-R290 PolarHBondContact OE2-NH1 2.81Å; E61-R290 IonicContact OE2-NH2 2.7Å; E61-R290 PolarHBondContact OE2-NH2 2.74Å
62	T	96.6	Very high	96.8	Very high	34 Å²	34	49.4 Å²	49.4	21%	0.209	27%	0.272	C	S	.	.	H	α-helix	trans	-92.6	-27.5	-173.7	71.5	0	0	0	0	113.7	Y58 I59 P64 Y293 E298	Y58-T62 PolarHBondContact O-N 3.08Å; Y58-T62 VanDerWaalsContact O-N 3.08Å; Y58-T62 PolarHBondContact O-OG1 2.9Å; I59-T62 PolarHBondContact O-N 3.41Å; T62-P64 VanDerWaalsContact C-CD 3.45Å; T62-P64 WeakPolarHBondContact O-CD 3.33Å; T62-Y293 HydrophobicContact CG2-CE1 4.01Å; T62-Y293 PolarHBondContact OG1-OH 3.06Å; T62-E298 WeakPolarHBondContact CB-OE1 3.48Å; T62-E298 WeakPolarHBondContact CG2-OE1 3.42Å; T62-E298 PolarHBondContact OG1-OE1 3.37Å
63	H	95.8	Very high	96.8	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.019	29%	0.287	C	S	.	.	S	Bend	trans	-124.3	65.5	177.3	-58.8	81.5	0	0	0	111	Y36 I59 G65 T66 E298 L301 S302	Y36-H63 HydrophobicContact CD1-CB 4.43Å; Y36-H63 AromaticContact CD1-CD2 3.55Å; Y36-H63 HydrophobicContact CD2-CB 3.72Å; Y36-H63 HydrophobicContact CE1-CB 4.48Å; Y36-H63 AromaticContact CE1-CD2 3.43Å; Y36-H63 VanDerWaalsContact CE1-CD2 3.43Å; Y36-H63 WeakPolarHBondContact CE1-CD2 3.36Å; Y36-H63 VanDerWaalsContact CE2-CA 3.45Å; Y36-H63 HydrophobicContact CE2-CB 3.75Å; Y36-H63 HydrophobicContact CG-CB 4.05Å; Y36-H63 AromaticContact CZ-CD2 3.78Å; I59-H63 HydrophobicContact CG2-CB 4.4Å; I59-H63 CarbonylContact O-C 3.55Å; I59-H63 WeakPolarHBondContact O-CA 3.44Å; I59-H63 WeakPolarHBondContact O-CB 3.45Å; I59-H63 PolarHBondContact O-N 3.13Å; H63-G65 PolarHBondContact O-N 2.82Å; H63-T66 WeakPolarHBondContact CB-OG1 3.45Å; H63-T66 VanDerWaalsContact O-CB 3.3Å; H63-T66 WeakPolarHBondContact O-CB 3.09Å; H63-T66 PolarHBondContact O-N 3.43Å; H63-T66 VanDerWaalsContact O-N 3.11Å; H63-T66 PolarHBondContact O-OG1 2.82Å; H63-E298 PolarHBondContact CE1-O 3.27Å; H63-L301 PolarHBondContact CD2-O 3Å; H63-L301 VanDerWaalsContact CD2-O 3.31Å; H63-L301 PolarHBondContact NE2-O 2.78Å; H63-S302 PolarHBondContact NE2-N 3.26Å; H63-S302 PolarHBondContact NE2-OG 3.03Å
64	P	94.9	Very high	96.8	Very high	66 Å²	66	48.8 Å²	48.8	43%	0.429	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	131.3	-174.2	24.9	-35.2	0	0	0	111.9	N60 T62	N60-P64 WeakPolarHBondContact O-CA 3.39Å; T62-P64 VanDerWaalsContact C-CD 3.45Å; T62-P64 WeakPolarHBondContact O-CD 3.33Å
65	G	92.4	Very high	96.8	Very high	60 Å²	60	49.4 Å²	49.4	62%	0.619	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	-0.2	-177.6	0	0	0	0	0	114.9	H63 V67	H63-G65 PolarHBondContact O-N 2.82Å; G65-V67 PolarHBondContact O-N 3.31Å
66	T	95.2	Very high	96.7	Very high	19 Å²	19	50.5 Å²	50.5	12%	0.117	29%	0.291	C	S	.	.			trans	-61.9	131.3	171.6	-57.5	0	0	0	0	110.7	Y36 V39 I59 H63 V68	Y36-T66 WeakPolarHBondContact CB-OG1 3.25Å; Y36-T66 VanDerWaalsContact CD2-OG1 3.3Å; Y36-T66 WeakPolarHBondContact CD2-OG1 3.45Å; V39-T66 HydrophobicContact CG2-CG2 3.84Å; I59-T66 HydrophobicContact CG2-CG2 4.17Å; H63-T66 WeakPolarHBondContact CB-OG1 3.45Å; H63-T66 VanDerWaalsContact O-CB 3.3Å; H63-T66 WeakPolarHBondContact O-CB 3.09Å; H63-T66 PolarHBondContact O-N 3.43Å; H63-T66 VanDerWaalsContact O-N 3.11Å; H63-T66 PolarHBondContact O-OG1 2.82Å; T66-V68 HydrophobicContact CG2-CG2 4.05Å; T66-V68 PolarHBondContact O-N 3.23Å
67	V	96.5	Very high	96.6	Very high	88 Å²	88	55.3 Å²	55.3	53%	0.533	31%	0.305	S	S	.	.			trans	-78.7	109.5	171.7	178.7	0	0	0	0	108.2	P38 V39 G65	P38-V67 CarbonylContact C-O 3.36Å; P38-V67 VanDerWaalsContact CA-O 3.25Å; P38-V67 WeakPolarHBondContact CA-O 3.35Å; P38-V67 HydrophobicContact CB-CB 4.32Å; V39-V67 PolarHBondContact N-O 3.32Å; G65-V67 PolarHBondContact O-N 3.31Å
68	V	97.6	Very high	96.6	Very high	40 Å²	40	55.1 Å²	55.1	24%	0.242	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.8	174.6	-167.5	0	0	0	0	109.6	V39 V41 L56 I59 T66	V39-V68 HydrophobicContact CB-CB 4.5Å; V39-V68 HydrophobicContact CB-CG1 4.06Å; V39-V68 HydrophobicContact CB-CG2 4.23Å; V39-V68 HydrophobicContact CG1-CG1 4.2Å; V39-V68 CarbonylContact O-C 3.59Å; V39-V68 WeakPolarHBondContact O-CA 3.47Å; V41-V68 HydrophobicContact CG2-CG1 4.05Å; L56-V68 HydrophobicContact CD2-CB 3.73Å; L56-V68 HydrophobicContact CD2-CG1 3.28Å; L56-V68 HydrophobicContact CD2-CG2 4.45Å; I59-V68 HydrophobicContact CB-CG2 4.27Å; I59-V68 HydrophobicContact CD1-CG1 4.39Å; I59-V68 HydrophobicContact CD1-CG2 4.28Å; I59-V68 HydrophobicContact CG2-CG2 3.61Å; T66-V68 HydrophobicContact CG2-CG2 4.05Å; T66-V68 PolarHBondContact O-N 3.23Å
69	T	98.1	Very high	96.6	Very high	43 Å²	43	53.8 Å²	53.8	26%	0.264	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	112.6	176.6	-54.2	0	0	0	0	109.2	V39 I40 V41 L71 I97	V39-T69 PolarHBondContact O-N 2.89Å; I40-T69 CarbonylContact C-O 3.3Å; I40-T69 WeakPolarHBondContact CA-O 3.29Å; V41-T69 PolarHBondContact N-O 3.03Å; T69-L71 HydrophobicContact CG2-CD2 3.78Å; T69-I97 HydrophobicContact CG2-CD1 3.96Å
70	V	97.9	Very high	96.6	Very high	19 Å²	19	55 Å²	55	12%	0.115	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	122.9	167.7	-165.1	0	0	0	0	107.5	V41 F52 L56 D72	V41-V70 HydrophobicContact CB-CB 4.26Å; V41-V70 HydrophobicContact CB-CG1 4Å; V41-V70 HydrophobicContact CB-CG2 4.04Å; V41-V70 HydrophobicContact CG1-CG1 4.1Å; V41-V70 HydrophobicContact CG2-CG2 4.26Å; F52-V70 HydrophobicContact CB-CG1 4.44Å; F52-V70 HydrophobicContact CB-CG2 4.21Å; F52-V70 HydrophobicContact CD2-CG1 3.91Å; F52-V70 HydrophobicContact CG-CG1 4.3Å; L56-V70 HydrophobicContact CD1-CG2 4.05Å; L56-V70 HydrophobicContact CD2-CG2 3.85Å; L56-V70 HydrophobicContact CG-CG2 4.25Å; V70-D72 PolarHBondContact O-N 3.31Å
71	L	97.6	Very high	96.7	Very high	13 Å²	13	55 Å²	55	7%	0.068	30%	0.297	C	S	.	.			trans	-84	114.2	-172.9	-64.3	179.4	0	0	0	110.7	I40 V41 V42 T69 L73 F90 A93 V94 I97	I40-L71 HydrophobicContact CG2-CD1 3.57Å; I40-L71 HydrophobicContact CG2-CD2 4.46Å; I40-L71 HydrophobicContact CG2-CG 3.85Å; V41-L71 PolarHBondContact O-N 2.93Å; V42-L71 HydrophobicContact CG2-CD1 4.21Å; T69-L71 HydrophobicContact CG2-CD2 3.78Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 3.3Å; L71-L73 VanDerWaalsContact O-N 3.1Å; L71-F90 HydrophobicContact CB-CD1 3.87Å; L71-F90 HydrophobicContact CB-CE1 3.62Å; L71-F90 HydrophobicContact CD1-CD1 3.65Å; L71-F90 HydrophobicContact CD1-CE1 4.26Å; L71-F90 HydrophobicContact CG-CD1 4.41Å; L71-A93 HydrophobicContact CD1-CB 4.25Å; L71-A93 HydrophobicContact CD2-CB 4.01Å; L71-V94 HydrophobicContact CD1-CG2 3.64Å; L71-I97 HydrophobicContact CD2-CD1 4.24Å
72	D	94.4	Very high	96.8	Very high	96 Å²	96	50.5 Å²	50.5	51%	0.513	28%	0.279	S	S	.	.			trans	-82.6	66.3	177.2	-68.2	-39.4	0	0	0	111.6	S49 V70	S49-D72 WeakPolarHBondContact CB-OD1 3.43Å; S49-D72 PolarHBondContact OG-OD1 3.28Å; V70-D72 PolarHBondContact O-N 3.31Å
73	L	96.8	Very high	96.9	Very high	62 Å²	62	48.9 Å²	48.9	33%	0.325	27%	0.269	S	S	.	.	S	Bend	trans	-131.7	134.2	177.8	-65.9	176.5	0	0	0	109.4	H43 L71 D75 G89 F90 A93	H43-L73 PolarHBondContact NE2-O 3.33Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 3.3Å; L71-L73 VanDerWaalsContact O-N 3.1Å; L73-D75 VanDerWaalsContact C-N 3.33Å; L73-G89 WeakPolarHBondContact CD1-O 3.4Å; L73-F90 HydrophobicContact CB-CD1 4.29Å; L73-F90 HydrophobicContact CB-CE1 3.81Å; L73-F90 HydrophobicContact CB-CZ 3.99Å; L73-F90 HydrophobicContact CD1-CD1 4.1Å; L73-F90 HydrophobicContact CD1-CE1 4.41Å; L73-F90 WeakPolarHBondContact O-CZ 3.29Å; L73-A93 HydrophobicContact CD1-CB 3.82Å
74	F	98	Very high	97	Very high	31 Å²	31	51.4 Å²	51.4	14%	0.136	28%	0.278	C	S	.	.	S	Bend	trans	64.7	33.1	-178.8	-49.8	-87	0	0	0	114.1	H43 E78 S79 R81 E85 Q86 F90	H43-F74 PolarHBondContact CE1-O 2.83Å; F74-E78 HydrophobicContact CB-CB 4.24Å; F74-E78 CarbonylContact O-C 3.43Å; F74-S79 VanDerWaalsContact O-CA 3.31Å; F74-S79 WeakPolarHBondContact O-CA 3.25Å; F74-S79 VanDerWaalsContact O-CB 3.32Å; F74-S79 WeakPolarHBondContact O-CB 3.2Å; F74-S79 PolarHBondContact O-N 3.17Å; F74-R81 HydrophobicContact CD1-CB 4.29Å; F74-R81 HydrophobicContact CE1-CB 4.47Å; F74-E85 HydrophobicContact CE1-CG 4.16Å; F74-E85 HydrophobicContact CZ-CG 4.31Å; F74-Q86 HydrophobicContact CB-CG 4.38Å; F74-Q86 HydrophobicContact CD1-CG 3.87Å; F74-Q86 HydrophobicContact CD2-CB 4.2Å; F74-Q86 HydrophobicContact CD2-CG 3.98Å; F74-Q86 HydrophobicContact CE1-CG 4.1Å; F74-Q86 HydrophobicContact CE2-CB 4.19Å; F74-Q86 HydrophobicContact CE2-CG 4.23Å; F74-Q86 HydrophobicContact CG-CG 3.81Å; F74-Q86 HydrophobicContact CZ-CB 4.47Å; F74-Q86 HydrophobicContact CZ-CG 4.28Å; F74-F90 HydrophobicContact CD2-CD2 4.2Å; F74-F90 AromaticContact CD2-CE2 3.73Å; F74-F90 HydrophobicContact CD2-CE2 3.73Å; F74-F90 HydrophobicContact CD2-CZ 4.2Å; F74-F90 HydrophobicContact CE2-CD2 4.39Å; F74-F90 HydrophobicContact CE2-CE2 4.36Å
75	D	97.3	Very high	97.2	Very high	61 Å²	61	52 Å²	52	33%	0.326	28%	0.275	S	S	.	.			trans	-56.6	145.3	176.7	-71.8	8.3	0	0	0	113.6	H43 D47 S48 L73 R77 E78	H43-D75 IonicContact CD2-OD1 3.09Å; H43-D75 IonicContact NE2-OD1 3.77Å; H43-D75 PolarHBondContact NE2-OD1 3.23Å; D47-D75 WeakPolarHBondContact O-CA 3.33Å; S48-D75 WeakPolarHBondContact CB-OD2 3.42Å; L73-D75 VanDerWaalsContact C-N 3.33Å; D75-R77 PolarHBondContact O-N 3.18Å; D75-E78 WeakPolarHBondContact O-CB 3.34Å; D75-E78 PolarHBondContact O-N 3.12Å; D75-E78 VanDerWaalsContact O-N 3.1Å
76	G	96.4	Very high	97.5	Very high	24 Å²	24	49.3 Å²	49.3	25%	0.247	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	59.2	-121.1	171	0	0	0	0	0	111.9	F46 D47 E78 S79	F46-G76 WeakPolarHBondContact CA-O 3.36Å; F46-G76 WeakPolarHBondContact CD1-O 3.38Å; D47-G76 PolarHBondContact O-N 3.38Å; G76-E78 PolarHBondContact O-N 2.84Å; G76-S79 PolarHBondContact O-N 3.17Å; G76-S79 PolarHBondContact O-OG 2.87Å
77	R	95.9	Very high	97.6	Very high	162 Å²	162	48.4 Å²	48.4	61%	0.611	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-69.7	-21.3	-177.9	-69.5	-178.5	-179.7	-93.7	-1.3	113.3	F46 D75 S79 L80	F46-R77 HydrophobicContact CE1-CG 4.41Å; D75-R77 PolarHBondContact O-N 3.18Å; R77-S79 PolarHBondContact O-N 3.09Å; R77-L80 VanDerWaalsContact O-CB 3.29Å; R77-L80 WeakPolarHBondContact O-CB 3.48Å; R77-L80 PolarHBondContact O-N 2.77Å; R77-L80 VanDerWaalsContact O-N 3.1Å
78	E	97.9	Very high	97.7	Very high	82 Å²	82	48.3 Å²	48.3	38%	0.383	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-68.6	-18.5	-179.8	-61.4	-58.6	111.7	0	0	111.9	F74 D75 G76 L80 R81	F74-E78 HydrophobicContact CB-CB 4.24Å; F74-E78 CarbonylContact O-C 3.43Å; D75-E78 WeakPolarHBondContact O-CB 3.34Å; D75-E78 PolarHBondContact O-N 3.12Å; D75-E78 VanDerWaalsContact O-N 3.1Å; G76-E78 PolarHBondContact O-N 2.84Å; E78-L80 PolarHBondContact O-N 2.89Å; E78-L80 VanDerWaalsContact O-N 3.09Å; E78-R81 WeakPolarHBondContact O-CB 3.43Å; E78-R81 WeakPolarHBondContact O-CG 3.16Å; E78-R81 PolarHBondContact O-N 2.8Å; E78-R81 IonicContact OE2-CZ 3.67Å; E78-R81 IonicContact OE2-NE 3.9Å; E78-R81 PolarHBondContact OE2-NE 3.47Å; E78-R81 IonicContact OE2-NH2 3.01Å; E78-R81 PolarHBondContact OE2-NH2 2.9Å
79	S	97.9	Very high	97.8	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-66.5	-9.4	173	74.4	0	0	0	0	113	L45 F46 F74 G76 R77 R81 Q86 Q112 S174	L45-S79 WeakPolarHBondContact CA-OG 3.17Å; L45-S79 VanDerWaalsContact CD1-OG 3.28Å; L45-S79 WeakPolarHBondContact CD1-OG 3.46Å; F46-S79 PolarHBondContact N-OG 2.74Å; F74-S79 VanDerWaalsContact O-CA 3.31Å; F74-S79 WeakPolarHBondContact O-CA 3.25Å; F74-S79 VanDerWaalsContact O-CB 3.32Å; F74-S79 WeakPolarHBondContact O-CB 3.2Å; F74-S79 PolarHBondContact O-N 3.17Å; G76-S79 PolarHBondContact O-N 3.17Å; G76-S79 PolarHBondContact O-OG 2.87Å; R77-S79 PolarHBondContact O-N 3.09Å; S79-R81 VanDerWaalsContact C-N 3.34Å; S79-Q86 PolarHBondContact O-NE2 3.49Å; S79-Q112 PolarHBondContact O-NE2 2.8Å; S79-S174 WeakPolarHBondContact O-CB 3.33Å; S79-S174 PolarHBondContact O-OG 3.14Å
80	L	97.8	Very high	97.8	Very high	25 Å²	25	45.1 Å²	45.1	13%	0.131	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-80	-13.4	172.1	-68.6	171.2	0	0	0	113.2	L45 F46 R77 E78 L152 F173 S174 I175	L45-L80 HydrophobicContact CD1-CD2 3.66Å; L45-L80 HydrophobicContact CD1-CG 4.23Å; F46-L80 HydrophobicContact CE1-CD1 3.65Å; F46-L80 HydrophobicContact CE1-CD2 4.25Å; F46-L80 HydrophobicContact CE1-CG 3.84Å; F46-L80 HydrophobicContact CZ-CD1 3.85Å; F46-L80 HydrophobicContact CZ-CD2 3.9Å; F46-L80 HydrophobicContact CZ-CG 4.01Å; R77-L80 VanDerWaalsContact O-CB 3.29Å; R77-L80 WeakPolarHBondContact O-CB 3.48Å; R77-L80 PolarHBondContact O-N 2.77Å; R77-L80 VanDerWaalsContact O-N 3.1Å; E78-L80 PolarHBondContact O-N 2.89Å; E78-L80 VanDerWaalsContact O-N 3.09Å; L80-L152 HydrophobicContact CD1-CD2 4.45Å; L80-L152 HydrophobicContact CD2-CD1 4.24Å; L80-F173 WeakPolarHBondContact O-CA 3.21Å; L80-S174 WeakPolarHBondContact CA-OG 3.36Å; L80-S174 PolarHBondContact O-N 3.42Å; L80-I175 HydrophobicContact CD2-CD1 3.48Å; L80-I175 VanDerWaalsContact CD2-CD1 3.48Å; L80-I175 HydrophobicContact CD2-CG1 4.13Å
81	R	98.4	Very high	97.8	Very high	106 Å²	106	47.8 Å²	47.8	40%	0.4	23%	0.226	S	C	.	.	S	Bend	trans	-60.9	153.7	175.9	-70.7	-164.2	-170.5	-160.7	2.4	111.8	F74 E78 S79 L83 E85 Q86 S174	F74-R81 HydrophobicContact CD1-CB 4.29Å; F74-R81 HydrophobicContact CE1-CB 4.47Å; E78-R81 WeakPolarHBondContact O-CB 3.43Å; E78-R81 WeakPolarHBondContact O-CG 3.16Å; E78-R81 PolarHBondContact O-N 2.8Å; E78-R81 IonicContact OE2-CZ 3.67Å; E78-R81 IonicContact OE2-NE 3.9Å; E78-R81 PolarHBondContact OE2-NE 3.47Å; E78-R81 IonicContact OE2-NH2 3.01Å; E78-R81 PolarHBondContact OE2-NH2 2.9Å; S79-R81 VanDerWaalsContact C-N 3.34Å; R81-L83 PolarHBondContact O-N 3.03Å; R81-E85 WeakPolarHBondContact CD-OE1 3.34Å; R81-E85 IonicContact CZ-OE1 3.51Å; R81-E85 IonicContact NE-OE1 3.1Å; R81-E85 IonicContact NH1-OE1 2.75Å; R81-E85 PolarHBondContact NH1-OE1 3.17Å; R81-Q86 PolarHBondContact O-NE2 3Å; R81-S174 VanDerWaalsContact O-CB 3.29Å; R81-S174 WeakPolarHBondContact O-CB 3.48Å
82	P	98.6	Very high	97.9	Very high	24 Å²	24	54.3 Å²	54.3	16%	0.156	26%	0.256	C	S	.	.			trans	-48.6	137.8	-177.6	-26.7	33.1	0	0	0	113	W84 E85 Q86 E172 N177	P82-W84 PolarHBondContact O-N 2.87Å; P82-E85 HydrophobicContact CB-CB 4.49Å; P82-E85 VanDerWaalsContact O-CB 3.31Å; P82-E85 WeakPolarHBondContact O-CB 3.17Å; P82-E85 PolarHBondContact O-N 2.99Å; P82-Q86 PolarHBondContact O-N 3.48Å; P82-E172 WeakPolarHBondContact CD-O 3.3Å; P82-E172 WeakPolarHBondContact CG-O 3.32Å; P82-E172 WeakPolarHBondContact CG-OE2 3.37Å; P82-N177 WeakPolarHBondContact CA-OD1 3.42Å
83	L	98.8	Very high	98	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-31.1	-175.2	-81.8	-175.1	0	0	0	113.3	R81 E85 Q86 V87 Q112 L115 V116 N177 Y178 F194	R81-L83 PolarHBondContact O-N 3.03Å; L83-E85 VanDerWaalsContact C-N 3.32Å; L83-E85 PolarHBondContact O-N 2.97Å; L83-Q86 PolarHBondContact O-N 3.15Å; L83-V87 VanDerWaalsContact O-CG2 3.29Å; L83-V87 WeakPolarHBondContact O-CG2 3.4Å; L83-V87 PolarHBondContact O-N 3.24Å; L83-Q112 HydrophobicContact CD2-CG 3.82Å; L83-L115 HydrophobicContact CD1-CB 4.46Å; L83-L115 HydrophobicContact CD1-CD1 4.36Å; L83-V116 HydrophobicContact CD2-CG2 3.63Å; L83-N177 HydrophobicContact CB-CB 4.25Å; L83-N177 HydrophobicContact CD1-CB 3.93Å; L83-N177 HydrophobicContact CG-CB 4.1Å; L83-N177 PolarHBondContact N-OD1 3.38Å; L83-Y178 HydrophobicContact CD1-CD1 3.66Å; L83-Y178 HydrophobicContact CD1-CE1 4.3Å; L83-F194 HydrophobicContact CB-CD1 4.11Å; L83-F194 HydrophobicContact CB-CD2 3.42Å; L83-F194 VanDerWaalsContact CB-CD2 3.42Å; L83-F194 HydrophobicContact CB-CE1 4.14Å; L83-F194 HydrophobicContact CB-CE2 3.46Å; L83-F194 VanDerWaalsContact CB-CE2 3.46Å; L83-F194 HydrophobicContact CB-CG 3.76Å; L83-F194 HydrophobicContact CB-CZ 3.82Å; L83-F194 HydrophobicContact CD1-CD1 3.42Å; L83-F194 VanDerWaalsContact CD1-CD1 3.42Å; L83-F194 HydrophobicContact CD1-CD2 4.31Å; L83-F194 HydrophobicContact CD1-CE1 3.41Å; L83-F194 VanDerWaalsContact CD1-CE1 3.41Å; L83-F194 HydrophobicContact CD1-CE2 4.31Å; L83-F194 HydrophobicContact CD1-CG 3.9Å; L83-F194 HydrophobicContact CD1-CZ 3.86Å; L83-F194 HydrophobicContact CG-CD1 4.42Å; L83-F194 HydrophobicContact CG-CE1 4.39Å; L83-F194 HydrophobicContact CG-CE2 4.5Å; L83-F194 HydrophobicContact CG-CG 4.49Å; L83-F194 HydrophobicContact CG-CZ 4.42Å
84	W	98.5	Very high	98.1	Very high	58 Å²	58	48.2 Å²	48.2	22%	0.22	23%	0.228	C	C	.	.	H	α-helix	trans	-66.9	-32.5	174.2	-74.4	120.9	0	0	0	113.2	P82 V87 Q88 A119 V123 S193 F194 L197 I198 W210	P82-W84 PolarHBondContact O-N 2.87Å; W84-V87 HydrophobicContact CE3-CB 4.24Å; W84-V87 HydrophobicContact CE3-CG1 4.27Å; W84-V87 HydrophobicContact CE3-CG2 4.37Å; W84-V87 HydrophobicContact CZ3-CG1 4.36Å; W84-V87 PolarHBondContact O-N 2.77Å; W84-Q88 WeakPolarHBondContact O-CG 3.45Å; W84-Q88 PolarHBondContact O-N 3.31Å; W84-Q88 VanDerWaalsContact O-N 3.12Å; W84-A119 HydrophobicContact CH2-CB 4.49Å; W84-A119 HydrophobicContact CZ3-CB 4.21Å; W84-V123 HydrophobicContact CH2-CG1 4.43Å; W84-V123 HydrophobicContact CZ3-CG1 3.96Å; W84-S193 PolarHBondContact NE1-O 2.66Å; W84-F194 AromaticContact CD1-CD2 3.86Å; W84-F194 AromaticContact CD2-CD2 3.68Å; W84-F194 HydrophobicContact CD2-CD2 3.68Å; W84-F194 AromaticContact CD2-CE2 3.97Å; W84-F194 HydrophobicContact CD2-CE2 3.97Å; W84-F194 AromaticContact CE2-CD2 3.52Å; W84-F194 HydrophobicContact CE3-CD2 4.27Å; W84-F194 HydrophobicContact CE3-CE2 4.09Å; W84-F194 AromaticContact CG-CD2 3.91Å; W84-F194 HydrophobicContact CG-CD2 3.91Å; W84-F194 HydrophobicContact CG-CE2 4.45Å; W84-F194 HydrophobicContact CH2-CE2 4.48Å; W84-F194 AromaticContact CZ2-CD2 4Å; W84-F194 HydrophobicContact CZ2-CD2 4Å; W84-F194 HydrophobicContact CZ2-CE2 4.36Å; W84-F194 HydrophobicContact CZ3-CE2 4.34Å; W84-F194 AromaticContact NE1-CD2 3.63Å; W84-L197 HydrophobicContact CZ2-CB 4.41Å; W84-L197 HydrophobicContact CZ2-CD1 4.29Å; W84-I198 HydrophobicContact CH2-CG2 3.55Å; W84-I198 HydrophobicContact CZ2-CG2 3.8Å; W84-W210 HydrophobicContact CH2-CH2 4.02Å; W84-W210 HydrophobicContact CH2-CZ2 4.37Å; W84-W210 HydrophobicContact CH2-CZ3 4.49Å; W84-W210 HydrophobicContact CZ2-CH2 4.25Å
85	E	98.7	Very high	98.1	Very high	77 Å²	77	49.4 Å²	49.4	36%	0.36	24%	0.238	S	C	.	.	H	α-helix	trans	-65.7	-43.7	172.9	-170.9	-176.7	157.3	0	0	110.1	F74 R81 P82 L83 V87 Q88 G89	F74-E85 HydrophobicContact CE1-CG 4.16Å; F74-E85 HydrophobicContact CZ-CG 4.31Å; R81-E85 WeakPolarHBondContact CD-OE1 3.34Å; R81-E85 IonicContact CZ-OE1 3.51Å; R81-E85 IonicContact NE-OE1 3.1Å; R81-E85 IonicContact NH1-OE1 2.75Å; R81-E85 PolarHBondContact NH1-OE1 3.17Å; P82-E85 HydrophobicContact CB-CB 4.49Å; P82-E85 VanDerWaalsContact O-CB 3.31Å; P82-E85 WeakPolarHBondContact O-CB 3.17Å; P82-E85 PolarHBondContact O-N 2.99Å; L83-E85 VanDerWaalsContact C-N 3.32Å; L83-E85 PolarHBondContact O-N 2.97Å; E85-V87 PolarHBondContact O-N 3.49Å; E85-Q88 PolarHBondContact O-N 3.44Å; E85-G89 PolarHBondContact O-N 2.91Å
86	Q	98.8	Very high	98.1	Very high	5 Å²	5	49.4 Å²	49.4	2%	0.023	24%	0.241	C	C	.	.	H	α-helix	trans	-59.8	-46.4	175.1	-60.5	-175.2	36.9	0	0	111.7	F74 S79 R81 P82 L83 Q88 G89 F90 Q112 V116	F74-Q86 HydrophobicContact CB-CG 4.38Å; F74-Q86 HydrophobicContact CD1-CG 3.87Å; F74-Q86 HydrophobicContact CD2-CB 4.2Å; F74-Q86 HydrophobicContact CD2-CG 3.98Å; F74-Q86 HydrophobicContact CE1-CG 4.1Å; F74-Q86 HydrophobicContact CE2-CB 4.19Å; F74-Q86 HydrophobicContact CE2-CG 4.23Å; F74-Q86 HydrophobicContact CG-CG 3.81Å; F74-Q86 HydrophobicContact CZ-CB 4.47Å; F74-Q86 HydrophobicContact CZ-CG 4.28Å; S79-Q86 PolarHBondContact O-NE2 3.49Å; R81-Q86 PolarHBondContact O-NE2 3Å; P82-Q86 PolarHBondContact O-N 3.48Å; L83-Q86 PolarHBondContact O-N 3.15Å; Q86-Q88 VanDerWaalsContact C-N 3.29Å; Q86-Q88 PolarHBondContact O-N 2.99Å; Q86-G89 PolarHBondContact O-N 3.37Å; Q86-F90 HydrophobicContact CB-CD2 4.21Å; Q86-F90 HydrophobicContact CB-CE2 4.29Å; Q86-F90 WeakPolarHBondContact O-CD2 3.48Å; Q86-F90 PolarHBondContact O-N 3.44Å; Q86-Q112 VanDerWaalsContact NE2-NE2 3.16Å; Q86-V116 HydrophobicContact CB-CG1 4.46Å; Q86-V116 HydrophobicContact CB-CG2 4.12Å
87	V	98.8	Very high	98.1	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-56.6	-42.4	176.9	170	0	0	0	0	111.7	L83 W84 E85 R91 V116 A119 V123 F194	L83-V87 VanDerWaalsContact O-CG2 3.29Å; L83-V87 WeakPolarHBondContact O-CG2 3.4Å; L83-V87 PolarHBondContact O-N 3.24Å; W84-V87 HydrophobicContact CE3-CB 4.24Å; W84-V87 HydrophobicContact CE3-CG1 4.27Å; W84-V87 HydrophobicContact CE3-CG2 4.37Å; W84-V87 HydrophobicContact CZ3-CG1 4.36Å; W84-V87 PolarHBondContact O-N 2.77Å; E85-V87 PolarHBondContact O-N 3.49Å; V87-R91 WeakPolarHBondContact O-CB 3.44Å; V87-R91 PolarHBondContact O-N 2.9Å; V87-V116 HydrophobicContact CG2-CG1 4.09Å; V87-A119 HydrophobicContact CG1-CB 4.5Å; V87-A119 HydrophobicContact CG2-CB 3.6Å; V87-V123 HydrophobicContact CG1-CG2 3.97Å; V87-F194 HydrophobicContact CG2-CE2 3.93Å; V87-F194 HydrophobicContact CG2-CZ 4.27Å
88	Q	98.5	Very high	98.2	Very high	85 Å²	85	42.7 Å²	42.7	40%	0.397	21%	0.211	S	C	.	.	H	α-helix	trans	-66.3	-47.4	176.5	-63.8	-49.8	-41	0	0	111.9	W84 E85 Q86 F90 R91 E92	W84-Q88 WeakPolarHBondContact O-CG 3.45Å; W84-Q88 PolarHBondContact O-N 3.31Å; W84-Q88 VanDerWaalsContact O-N 3.12Å; E85-Q88 PolarHBondContact O-N 3.44Å; Q86-Q88 VanDerWaalsContact C-N 3.29Å; Q86-Q88 PolarHBondContact O-N 2.99Å; Q88-F90 PolarHBondContact O-N 3.49Å; Q88-R91 WeakPolarHBondContact O-CB 3.38Å; Q88-R91 PolarHBondContact O-N 2.85Å; Q88-E92 PolarHBondContact O-N 3.19Å; Q88-E92 VanDerWaalsContact O-N 3.09Å
89	G	98.4	Very high	98.2	Very high	15 Å²	15	42.7 Å²	42.7	16%	0.155	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-46.9	179.9	0	0	0	0	0	112.8	L73 E85 Q86 R91 E92 A93	L73-G89 WeakPolarHBondContact CD1-O 3.4Å; E85-G89 PolarHBondContact O-N 2.91Å; Q86-G89 PolarHBondContact O-N 3.37Å; G89-R91 VanDerWaalsContact C-N 3.31Å; G89-R91 PolarHBondContact O-N 3.32Å; G89-E92 PolarHBondContact O-N 2.96Å; G89-A93 PolarHBondContact O-N 3.26Å
90	F	98.4	Very high	98.2	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-66.5	-32.3	176.2	-75.5	-67.9	0	0	0	112.3	V42 L71 L73 F74 Q86 Q88 A93 V94 V116	V42-F90 HydrophobicContact CG1-CD1 4.25Å; V42-F90 HydrophobicContact CG1-CD2 4.32Å; V42-F90 HydrophobicContact CG1-CE1 3.91Å; V42-F90 HydrophobicContact CG1-CE2 3.97Å; V42-F90 HydrophobicContact CG1-CG 4.45Å; V42-F90 HydrophobicContact CG1-CZ 3.75Å; V42-F90 HydrophobicContact CG2-CD1 4.12Å; V42-F90 HydrophobicContact CG2-CE1 4.28Å; L71-F90 HydrophobicContact CB-CD1 3.87Å; L71-F90 HydrophobicContact CB-CE1 3.62Å; L71-F90 HydrophobicContact CD1-CD1 3.65Å; L71-F90 HydrophobicContact CD1-CE1 4.26Å; L71-F90 HydrophobicContact CG-CD1 4.41Å; L73-F90 HydrophobicContact CB-CD1 4.29Å; L73-F90 HydrophobicContact CB-CE1 3.81Å; L73-F90 HydrophobicContact CB-CZ 3.99Å; L73-F90 HydrophobicContact CD1-CD1 4.1Å; L73-F90 HydrophobicContact CD1-CE1 4.41Å; L73-F90 WeakPolarHBondContact O-CZ 3.29Å; F74-F90 HydrophobicContact CD2-CD2 4.2Å; F74-F90 AromaticContact CD2-CE2 3.73Å; F74-F90 HydrophobicContact CD2-CE2 3.73Å; F74-F90 HydrophobicContact CD2-CZ 4.2Å; F74-F90 HydrophobicContact CE2-CD2 4.39Å; F74-F90 HydrophobicContact CE2-CE2 4.36Å; Q86-F90 HydrophobicContact CB-CD2 4.21Å; Q86-F90 HydrophobicContact CB-CE2 4.29Å; Q86-F90 WeakPolarHBondContact O-CD2 3.48Å; Q86-F90 PolarHBondContact O-N 3.44Å; Q88-F90 PolarHBondContact O-N 3.49Å; F90-A93 PolarHBondContact O-N 2.97Å; F90-V94 WeakPolarHBondContact O-CB 3.33Å; F90-V94 WeakPolarHBondContact O-CG2 3.43Å; F90-V94 PolarHBondContact O-N 3.4Å; F90-V116 HydrophobicContact CB-CG1 4.32Å; F90-V116 HydrophobicContact CD2-CG1 3.55Å; F90-V116 HydrophobicContact CE2-CG1 4.21Å; F90-V116 HydrophobicContact CG-CG1 4.22Å
91	R	98.4	Very high	98.1	Very high	75 Å²	75	50.5 Å²	50.5	28%	0.283	26%	0.259	S	S	.	.	H	α-helix	trans	-59.1	-48.7	173	-176.7	-178.2	-179	172.3	5.9	111.9	V87 Q88 G89 A93 V94 V95 L120 M124	V87-R91 WeakPolarHBondContact O-CB 3.44Å; V87-R91 PolarHBondContact O-N 2.9Å; Q88-R91 WeakPolarHBondContact O-CB 3.38Å; Q88-R91 PolarHBondContact O-N 2.85Å; G89-R91 VanDerWaalsContact C-N 3.31Å; G89-R91 PolarHBondContact O-N 3.32Å; R91-A93 PolarHBondContact O-N 3.5Å; R91-V94 PolarHBondContact O-N 3.45Å; R91-V95 HydrophobicContact CG-CG2 4.16Å; R91-V95 VanDerWaalsContact O-CG2 3.24Å; R91-V95 WeakPolarHBondContact O-CG2 3.46Å; R91-V95 PolarHBondContact O-N 3.35Å; R91-L120 VanDerWaalsContact CA-CD1 3.44Å; R91-L120 HydrophobicContact CB-CD1 3.43Å; R91-L120 VanDerWaalsContact CB-CD1 3.43Å; R91-L120 HydrophobicContact CG-CD1 3.93Å; R91-M124 HydrophobicContact CG-CG 4.14Å; R91-M124 HydrophobicContact CG-SD 4.11Å
92	E	98.2	Very high	97.9	Very high	151 Å²	151	50.6 Å²	50.6	71%	0.706	27%	0.274	S	S	*	.	H	α-helix	trans	-59.4	-36.1	179.4	-69.4	177.1	-173.7	0	0	112	Q88 G89 P96	Q88-E92 PolarHBondContact O-N 3.19Å; Q88-E92 VanDerWaalsContact O-N 3.09Å; G89-E92 PolarHBondContact O-N 2.96Å; E92-P96 WeakPolarHBondContact O-CD 3.31Å
93	A	98	Very high	97.7	Very high	28 Å²	28	56.9 Å²	56.9	23%	0.231	30%	0.301	C	S	.	.	H	α-helix	trans	-76.3	-35.5	177.5	0	0	0	0	0	113.9	L71 L73 G89 F90 R91 P96	L71-A93 HydrophobicContact CD1-CB 4.25Å; L71-A93 HydrophobicContact CD2-CB 4.01Å; L73-A93 HydrophobicContact CD1-CB 3.82Å; G89-A93 PolarHBondContact O-N 3.26Å; F90-A93 PolarHBondContact O-N 2.97Å; R91-A93 PolarHBondContact O-N 3.5Å; A93-P96 WeakPolarHBondContact O-CD 3.26Å; A93-P96 WeakPolarHBondContact O-CG 3.33Å
94	V	98.1	Very high	97.6	Very high	1 Å²	1	57 Å²	57	1%	0.006	30%	0.303	C	S	.	.	H	α-helix	trans	-78.1	-38.6	-175.6	167.1	0	0	0	0	112.7	I40 L71 F90 R91 I97 M98 L120	I40-V94 HydrophobicContact CD1-CG1 3.99Å; I40-V94 HydrophobicContact CD1-CG2 4.25Å; I40-V94 HydrophobicContact CG2-CG2 4.17Å; L71-V94 HydrophobicContact CD1-CG2 3.64Å; F90-V94 WeakPolarHBondContact O-CB 3.33Å; F90-V94 WeakPolarHBondContact O-CG2 3.43Å; F90-V94 PolarHBondContact O-N 3.4Å; R91-V94 PolarHBondContact O-N 3.45Å; V94-I97 WeakPolarHBondContact O-CB 3.19Å; V94-I97 PolarHBondContact O-N 3.3Å; V94-M98 HydrophobicContact CG1-CE 3.31Å; V94-M98 HydrophobicContact CG1-CG 3.82Å; V94-M98 HydrophobicContact CG1-SD 3.51Å; V94-M98 VanDerWaalsContact CG1-SD 3.51Å; V94-M98 PolarHBondContact O-N 3.24Å; V94-L120 HydrophobicContact CB-CD2 4.41Å; V94-L120 HydrophobicContact CG1-CD2 4.32Å; V94-L120 HydrophobicContact CG2-CD2 4.16Å
95	V	97.8	Very high	97.6	Very high	57 Å²	57	54.3 Å²	54.3	35%	0.345	29%	0.292	S	S	.	.	H	α-helix	trans	-49.6	-52.1	-178.3	165.2	0	0	0	0	113.6	R91 I97 M98 A99 M124	R91-V95 HydrophobicContact CG-CG2 4.16Å; R91-V95 VanDerWaalsContact O-CG2 3.24Å; R91-V95 WeakPolarHBondContact O-CG2 3.46Å; R91-V95 PolarHBondContact O-N 3.35Å; V95-I97 VanDerWaalsContact C-N 3.25Å; V95-I97 PolarHBondContact O-N 2.99Å; V95-M98 PolarHBondContact O-N 3.32Å; V95-A99 WeakPolarHBondContact O-CB 3.42Å; V95-A99 PolarHBondContact O-N 3.34Å; V95-M124 HydrophobicContact CG2-CE 3.84Å
96	P	97.6	Very high	97.6	Very high	61 Å²	61	50.7 Å²	50.7	40%	0.396	28%	0.275	S	S	.	.	H	α-helix	trans	-67.3	-24	-179.6	25.9	-35.3	0	0	0	113.6	E92 A93 K100	E92-P96 WeakPolarHBondContact O-CD 3.31Å; A93-P96 WeakPolarHBondContact O-CD 3.26Å; A93-P96 WeakPolarHBondContact O-CG 3.33Å; P96-K100 WeakPolarHBondContact O-CG 3.39Å; P96-K100 PolarHBondContact O-N 3.18Å
97	I	97.6	Very high	97.6	Very high	35 Å²	35	50.5 Å²	50.5	18%	0.179	27%	0.274	C	S	.	.	H	α-helix	trans	-73.1	-50.2	175.4	-56.8	172.9	0	0	0	109.3	I40 T69 L71 V94 V95 A99 K100 A101	I40-I97 HydrophobicContact CD1-CB 3.96Å; I40-I97 HydrophobicContact CD1-CD1 4.06Å; I40-I97 HydrophobicContact CD1-CG2 3.72Å; I40-I97 HydrophobicContact CG1-CD1 4.21Å; I40-I97 HydrophobicContact CG1-CG2 3.99Å; T69-I97 HydrophobicContact CG2-CD1 3.96Å; L71-I97 HydrophobicContact CD2-CD1 4.24Å; V94-I97 WeakPolarHBondContact O-CB 3.19Å; V94-I97 PolarHBondContact O-N 3.3Å; V95-I97 VanDerWaalsContact C-N 3.25Å; V95-I97 PolarHBondContact O-N 2.99Å; I97-A99 VanDerWaalsContact C-N 3.32Å; I97-A99 PolarHBondContact O-N 3.3Å; I97-K100 PolarHBondContact O-N 3.48Å; I97-A101 PolarHBondContact O-N 2.92Å
98	M	97.5	Very high	97.6	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.049	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-41	177.9	-71.9	-177.9	170.9	0	0	112.3	V94 V95 K100 A101 V105 L107 M124 H127 N128 V129	V94-M98 HydrophobicContact CG1-CE 3.31Å; V94-M98 HydrophobicContact CG1-CG 3.82Å; V94-M98 HydrophobicContact CG1-SD 3.51Å; V94-M98 VanDerWaalsContact CG1-SD 3.51Å; V94-M98 PolarHBondContact O-N 3.24Å; V95-M98 PolarHBondContact O-N 3.32Å; M98-K100 VanDerWaalsContact C-N 3.26Å; M98-K100 PolarHBondContact O-N 3Å; M98-A101 CarbonylContact O-C 3.57Å; M98-A101 PolarHBondContact O-N 3.31Å; M98-V105 HydrophobicContact CE-CG2 3.66Å; M98-V105 HydrophobicContact CG-CG1 4.38Å; M98-V105 HydrophobicContact CG-CG2 3.88Å; M98-L107 HydrophobicContact CE-CD2 4.46Å; M98-M124 HydrophobicContact SD-CE 3.67Å; M98-H127 HydrophobicContact CE-CB 4.24Å; M98-H127 HydrophobicContact SD-CB 3.92Å; M98-N128 WeakPolarHBondContact CB-OD1 3.25Å; M98-N128 WeakPolarHBondContact CG-OD1 3.45Å; M98-N128 PolarHBondContact O-ND2 2.96Å; M98-V129 HydrophobicContact CE-CG2 3.26Å
99	A	97.3	Very high	97.7	Very high	81 Å²	81	46.4 Å²	46.4	67%	0.669	26%	0.256	S	S	*	.	H	α-helix	trans	-62.4	-30.8	178.4	0	0	0	0	0	113.3	V95 I97 A101	V95-A99 WeakPolarHBondContact O-CB 3.42Å; V95-A99 PolarHBondContact O-N 3.34Å; I97-A99 VanDerWaalsContact C-N 3.32Å; I97-A99 PolarHBondContact O-N 3.3Å; A99-A101 VanDerWaalsContact C-N 3.33Å
100	K	97.1	Very high	97.7	Very high	180 Å²	180	46.2 Å²	46.2	78%	0.783	25%	0.25	S	S	*	.	H	α-helix	trans	-83.3	-9.9	176.1	-70.2	173.5	-176.1	175	0	113.2	P96 I97 M98 P102	P96-K100 WeakPolarHBondContact O-CG 3.39Å; P96-K100 PolarHBondContact O-N 3.18Å; I97-K100 PolarHBondContact O-N 3.48Å; M98-K100 VanDerWaalsContact C-N 3.26Å; M98-K100 PolarHBondContact O-N 3Å; K100-P102 VanDerWaalsContact C-CD 3.47Å; K100-P102 VanDerWaalsContact O-CD 3.3Å; K100-P102 WeakPolarHBondContact O-CD 3.27Å
101	A	96.3	Very high	97.7	Very high	10 Å²	10	46.7 Å²	46.7	8%	0.083	25%	0.253	C	S	.	.			trans	-120.1	69.7	-175.2	0	0	0	0	0	110.8	P38 I97 M98 A99 Q103 G104 V105 N128	P38-A101 HydrophobicContact CG-CB 3.88Å; I97-A101 PolarHBondContact O-N 2.92Å; M98-A101 CarbonylContact O-C 3.57Å; M98-A101 PolarHBondContact O-N 3.31Å; A99-A101 VanDerWaalsContact C-N 3.33Å; A101-Q103 PolarHBondContact O-N 3.36Å; A101-G104 PolarHBondContact O-N 2.99Å; A101-V105 HydrophobicContact CB-CG1 3.66Å; A101-N128 PolarHBondContact O-ND2 3.16Å
102	P	94.7	Very high	97.7	Very high	108 Å²	108	43.1 Å²	43.1	70%	0.701	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.3	-175.3	26.2	-35.8	0	0	0	114	K100 G104	K100-P102 VanDerWaalsContact C-CD 3.47Å; K100-P102 VanDerWaalsContact O-CD 3.3Å; K100-P102 WeakPolarHBondContact O-CD 3.27Å; P102-G104 VanDerWaalsContact C-N 3.25Å
103	Q	94.6	Very high	97.7	Very high	157 Å²	157	36 Å²	36	73%	0.734	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-1.3	174.3	-60.9	-61.9	-25.8	0	0	113.5	K37 A101	K37-Q103 WeakPolarHBondContact CE-O 3.35Å; A101-Q103 PolarHBondContact O-N 3.36Å
104	G	97	Very high	97.8	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.031	20%	0.196	C	C	.	.			trans	100.4	173.4	179.7	0	0	0	0	0	114	A101 P102 N128	A101-G104 PolarHBondContact O-N 2.99Å; P102-G104 VanDerWaalsContact C-N 3.25Å; G104-N128 WeakPolarHBondContact CA-O 3.35Å
105	V	98.5	Very high	97.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	161.6	178.1	-58.1	0	0	0	0	110.3	P38 I40 M98 A101 N128 V129 D130	P38-V105 HydrophobicContact CB-CG1 4.19Å; P38-V105 HydrophobicContact CG-CG1 4.4Å; P38-V105 CarbonylContact O-C 3.32Å; P38-V105 WeakPolarHBondContact O-CA 3.42Å; P38-V105 WeakPolarHBondContact O-CB 3.35Å; I40-V105 HydrophobicContact CD1-CB 4.49Å; I40-V105 HydrophobicContact CD1-CG2 4.19Å; M98-V105 HydrophobicContact CE-CG2 3.66Å; M98-V105 HydrophobicContact CG-CG1 4.38Å; M98-V105 HydrophobicContact CG-CG2 3.88Å; A101-V105 HydrophobicContact CB-CG1 3.66Å; V105-N128 PolarHBondContact N-O 2.68Å; V105-V129 HydrophobicContact CG2-CG2 4.07Å; V105-V129 WeakPolarHBondContact O-CA 3.38Å; V105-D130 PolarHBondContact O-N 3Å
106	H	98.8	Very high	97.9	Very high	1 Å²	1	32 Å²	32	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.7	166.5	-53.2	-67.5	0	0	0	110.2	P38 V39 I40 D130 S131 W300 L301	P38-H106 PolarHBondContact O-N 3.04Å; V39-H106 CarbonylContact C-O 3.35Å; V39-H106 WeakPolarHBondContact CA-O 3.43Å; V39-H106 HydrophobicContact CG2-CB 4.35Å; I40-H106 PolarHBondContact N-O 3.21Å; H106-D130 IonicContact CE1-OD2 3.33Å; H106-D130 PolarHBondContact CE1-OD2 3.06Å; H106-S131 CarbonylContact C-O 3.53Å; H106-S131 WeakPolarHBondContact CA-O 3.16Å; H106-S131 PolarHBondContact CE1-OG 3.38Å; H106-S131 WeakPolarHBondContact ND1-CB 3.24Å; H106-S131 PolarHBondContact ND1-N 3.31Å; H106-S131 PolarHBondContact ND1-OG 2.96Å; H106-W300 PolarHBondContact CE1-O 3.01Å; H106-W300 PolarHBondContact ND1-O 3.41Å; H106-L301 HydrophobicContact CB-CD2 3.93Å
107	L	98.9	Very high	97.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131	171	-61.5	-170.7	0	0	0	109.5	I40 M98 C117 L121 V129 S131 F132 I133	I40-L107 HydrophobicContact CB-CD2 3.66Å; I40-L107 HydrophobicContact CD1-CD2 4.02Å; I40-L107 HydrophobicContact CG1-CD2 4.26Å; I40-L107 HydrophobicContact CG2-CD2 4.25Å; I40-L107 CarbonylContact O-C 3.43Å; I40-L107 WeakPolarHBondContact O-CA 3.44Å; M98-L107 HydrophobicContact CE-CD2 4.46Å; L107-C117 HydrophobicContact CD1-CB 4.31Å; L107-L121 HydrophobicContact CD1-CD1 4.28Å; L107-L121 HydrophobicContact CD1-CD2 3.94Å; L107-L121 HydrophobicContact CD1-CG 4.26Å; L107-V129 HydrophobicContact CD1-CG1 4.38Å; L107-V129 HydrophobicContact CD1-CG2 3.82Å; L107-V129 HydrophobicContact CD2-CG2 4.45Å; L107-V129 HydrophobicContact CG-CG1 4.02Å; L107-V129 HydrophobicContact CG-CG2 3.81Å; L107-S131 PolarHBondContact N-O 3.24Å; L107-F132 HydrophobicContact CB-CD2 4.16Å; L107-I133 WeakPolarHBondContact O-CB 3.45Å; L107-I133 PolarHBondContact O-N 3.47Å
108	I	98.9	Very high	98	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114.6	165.3	-56.1	174	0	0	0	107.3	V39 I40 V41 V42 L55 I59 I133 I297 L301	V39-I108 HydrophobicContact CG1-CD1 3.73Å; V39-I108 HydrophobicContact CG1-CG1 3.99Å; I40-I108 PolarHBondContact O-N 2.84Å; V41-I108 VanDerWaalsContact CA-O 3.25Å; V41-I108 WeakPolarHBondContact CA-O 3.34Å; V41-I108 HydrophobicContact CG2-CB 4.34Å; V42-I108 PolarHBondContact N-O 2.89Å; L55-I108 HydrophobicContact CD2-CD1 4.05Å; L55-I108 HydrophobicContact CD2-CG2 4.17Å; I59-I108 HydrophobicContact CD1-CD1 4.18Å; I108-I133 HydrophobicContact CD1-CD1 4.44Å; I108-I133 HydrophobicContact CG1-CB 4.21Å; I108-I133 HydrophobicContact CG1-CD1 3.88Å; I108-I133 HydrophobicContact CG2-CG2 4.37Å; I108-I297 HydrophobicContact CD1-CG2 3.88Å; I108-L301 HydrophobicContact CD1-CD2 4.37Å
109	C	98.9	Very high	98	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.4	-174.3	-47.3	0	0	0	0	110.1	V42 G113 C117 F132 I133 L135 S137	V42-C109 HydrophobicContact CB-CB 4.26Å; V42-C109 WeakPolarHBondContact O-CA 3.25Å; C109-G113 WeakPolarHBondContact CB-O 3.48Å; C109-C117 HydrophobicContact CB-CB 3.7Å; C109-C117 WeakPolarHBondContact CB-SG 3.22Å; C109-C117 WeakPolarHBondContact SG-CB 3.49Å; C109-C117 CovalentContact SG-SG 2.02Å; C109-C117 PolarHBondContact SG-SG 2.68Å; C109-F132 HydrophobicContact CB-CE2 3.94Å; C109-I133 PolarHBondContact N-O 3.36Å; C109-L135 PolarHBondContact O-N 3.37Å; C109-S137 PolarHBondContact O-OG 3.18Å
110	Y	98.8	Very high	98.1	Very high	10 Å²	10	23.1 Å²	23.1	4%	0.039	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.4	-168.9	169.9	-121.3	0	0	0	111.7	V42 G44 F52 Q112 G113 L135 H283 W286 H287	V42-Y110 PolarHBondContact O-N 2.96Å; G44-Y110 WeakPolarHBondContact CA-O 3.41Å; G44-Y110 PolarHBondContact N-O 3.24Å; F52-Y110 HydrophobicContact CE1-CD1 4.47Å; F52-Y110 HydrophobicContact CE1-CG 4.44Å; F52-Y110 AromaticContact CZ-CD1 3.9Å; F52-Y110 HydrophobicContact CZ-CD1 3.9Å; F52-Y110 HydrophobicContact CZ-CG 4.22Å; Y110-Q112 PolarHBondContact O-N 3.11Å; Y110-G113 WeakPolarHBondContact O-CA 3.49Å; Y110-G113 PolarHBondContact O-N 3.31Å; Y110-L135 CarbonylContact C-O 3.6Å; Y110-L135 WeakPolarHBondContact CA-O 2.98Å; Y110-L135 HydrophobicContact CD2-CB 4.43Å; Y110-L135 HydrophobicContact CD2-CD2 4.06Å; Y110-L135 HydrophobicContact CD2-CG 3.99Å; Y110-L135 WeakPolarHBondContact CD2-O 3.31Å; Y110-H283 AromaticContact CZ-NE2 3.91Å; Y110-H283 PolarHBondContact OH-CD2 3.38Å; Y110-H283 PolarHBondContact OH-O 2.84Å; Y110-W286 HydrophobicContact CD2-CB 4.35Å; Y110-W286 HydrophobicContact CE2-CB 3.89Å; Y110-W286 HydrophobicContact CE2-CG 4.38Å; Y110-H287 AromaticContact CD1-CD2 3.99Å; Y110-H287 AromaticContact CE1-CD2 3.67Å; Y110-H287 AromaticContact CZ-CD2 3.84Å
111	S	98.6	Very high	98.2	Very high	11 Å²	11	14.6 Å²	14.6	8%	0.077	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-129	174.7	-170.6	0	0	0	0	111	G113 G114 L135 S136 S137 H283	S111-G113 PolarHBondContact O-N 3.11Å; S111-G113 VanDerWaalsContact O-N 3.11Å; S111-G114 PolarHBondContact O-N 3.08Å; S111-L135 PolarHBondContact N-O 3.24Å; S111-S136 VanDerWaalsContact CA-O 3.31Å; S111-S136 WeakPolarHBondContact CA-O 3.47Å; S111-S137 VanDerWaalsContact O-CA 3.31Å; S111-S137 WeakPolarHBondContact O-CA 3.48Å; S111-S137 WeakPolarHBondContact O-CB 3.28Å; S111-S137 PolarHBondContact O-OG 3.29Å; S111-H283 VanDerWaalsContact CB-NE2 3.35Å; S111-H283 WeakPolarHBondContact CB-NE2 3.43Å; S111-H283 PolarHBondContact OG-CE1 3.43Å; S111-H283 PolarHBondContact OG-NE2 3.05Å
112	Q	98.7	Very high	98.3	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-50.5	-32.3	173.6	-179.7	-178.5	-15.1	0	0	113.9	L45 S79 L83 Q86 Y110 G114 L115 V116 S174 Y178	L45-Q112 VanDerWaalsContact CB-OE1 3.3Å; S79-Q112 PolarHBondContact O-NE2 2.8Å; L83-Q112 HydrophobicContact CD2-CG 3.82Å; Q86-Q112 VanDerWaalsContact NE2-NE2 3.16Å; Y110-Q112 PolarHBondContact O-N 3.11Å; Q112-G114 PolarHBondContact O-N 2.78Å; Q112-G114 VanDerWaalsContact O-N 3.17Å; Q112-L115 WeakPolarHBondContact O-CB 3.35Å; Q112-L115 PolarHBondContact O-N 3.34Å; Q112-V116 PolarHBondContact O-N 2.81Å; Q112-S174 PolarHBondContact NE2-OG 2.88Å; Q112-S174 VanDerWaalsContact NE2-OG 3.15Å; Q112-Y178 HydrophobicContact CG-CE1 3.93Å
113	G	98.7	Very high	98.4	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-57.8	-29.5	178	0	0	0	0	0	113.2	H43 C109 Y110 S111 L115 V116 C117	H43-G113 VanDerWaalsContact O-CA 3.28Å; H43-G113 WeakPolarHBondContact O-CA 3.43Å; H43-G113 PolarHBondContact O-N 3.45Å; C109-G113 WeakPolarHBondContact CB-O 3.48Å; Y110-G113 WeakPolarHBondContact O-CA 3.49Å; Y110-G113 PolarHBondContact O-N 3.31Å; S111-G113 PolarHBondContact O-N 3.11Å; S111-G113 VanDerWaalsContact O-N 3.11Å; G113-L115 VanDerWaalsContact C-N 3.31Å; G113-L115 PolarHBondContact O-N 2.8Å; G113-V116 WeakPolarHBondContact O-CB 3.3Å; G113-V116 PolarHBondContact O-N 2.8Å; G113-C117 PolarHBondContact O-N 3.39Å; G113-C117 PolarHBondContact O-SG 3.34Å; G113-C117 VanDerWaalsContact O-SG 3.37Å
114	G	98.8	Very high	98.6	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-65.8	-31.3	175.6	0	0	0	0	0	114	S111 Q112 R118 F132 S137 Q139	S111-G114 PolarHBondContact O-N 3.08Å; Q112-G114 PolarHBondContact O-N 2.78Å; Q112-G114 VanDerWaalsContact O-N 3.17Å; G114-R118 WeakPolarHBondContact O-CB 3.47Å; G114-R118 PolarHBondContact O-N 2.97Å; G114-F132 WeakPolarHBondContact O-CZ 3.45Å; G114-S137 WeakPolarHBondContact CA-OG 3.2Å; G114-Q139 PolarHBondContact O-NE2 2.75Å
115	L	98.9	Very high	98.5	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-71	-42.1	172.6	-74.1	177.3	0	0	0	111.3	L83 Q112 G113 R118 A119 P138 Y178 F194 L195 I198	L83-L115 HydrophobicContact CD1-CB 4.46Å; L83-L115 HydrophobicContact CD1-CD1 4.36Å; Q112-L115 WeakPolarHBondContact O-CB 3.35Å; Q112-L115 PolarHBondContact O-N 3.34Å; G113-L115 VanDerWaalsContact C-N 3.31Å; G113-L115 PolarHBondContact O-N 2.8Å; L115-R118 PolarHBondContact O-N 3.31Å; L115-A119 WeakPolarHBondContact O-CB 3.47Å; L115-A119 PolarHBondContact O-N 2.97Å; L115-P138 HydrophobicContact CD1-CG 3.94Å; L115-P138 WeakPolarHBondContact CD2-O 3.37Å; L115-P138 HydrophobicContact CG-CG 4.47Å; L115-Y178 VanDerWaalsContact CD1-CB 3.49Å; L115-Y178 HydrophobicContact CD1-CD1 3.77Å; L115-Y178 HydrophobicContact CD1-CD2 4.32Å; L115-Y178 HydrophobicContact CD1-CG 3.61Å; L115-F194 HydrophobicContact CB-CE1 4.05Å; L115-L195 HydrophobicContact CD2-CD1 3.91Å; L115-I198 HydrophobicContact CD2-CD1 4.33Å
116	V	98.9	Very high	98.3	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-58.8	-50.9	174.8	175.9	0	0	0	0	110.3	L83 Q86 V87 F90 Q112 G113 R118 A119 L120	L83-V116 HydrophobicContact CD2-CG2 3.63Å; Q86-V116 HydrophobicContact CB-CG1 4.46Å; Q86-V116 HydrophobicContact CB-CG2 4.12Å; V87-V116 HydrophobicContact CG2-CG1 4.09Å; F90-V116 HydrophobicContact CB-CG1 4.32Å; F90-V116 HydrophobicContact CD2-CG1 3.55Å; F90-V116 HydrophobicContact CE2-CG1 4.21Å; F90-V116 HydrophobicContact CG-CG1 4.22Å; Q112-V116 PolarHBondContact O-N 2.81Å; G113-V116 WeakPolarHBondContact O-CB 3.3Å; G113-V116 PolarHBondContact O-N 2.8Å; V116-R118 PolarHBondContact O-N 3.47Å; V116-A119 PolarHBondContact O-N 2.82Å; V116-L120 VanDerWaalsContact O-CB 3.28Å; V116-L120 WeakPolarHBondContact O-CB 3.3Å; V116-L120 PolarHBondContact O-N 3.5Å
117	C	98.9	Very high	98.3	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.007	7%	0.066	C	C	.	.	H	α-helix	trans	-62	-41.7	178	-69.7	0	0	0	0	112.4	L107 C109 G113 A119 L120 L121 F132	L107-C117 HydrophobicContact CD1-CB 4.31Å; C109-C117 HydrophobicContact CB-CB 3.7Å; C109-C117 WeakPolarHBondContact CB-SG 3.22Å; C109-C117 WeakPolarHBondContact SG-CB 3.49Å; C109-C117 CovalentContact SG-SG 2.02Å; C109-C117 PolarHBondContact SG-SG 2.68Å; G113-C117 PolarHBondContact O-N 3.39Å; G113-C117 PolarHBondContact O-SG 3.34Å; G113-C117 VanDerWaalsContact O-SG 3.37Å; C117-A119 PolarHBondContact O-N 3.35Å; C117-L120 WeakPolarHBondContact O-CB 3.31Å; C117-L120 PolarHBondContact O-N 2.83Å; C117-L121 VanDerWaalsContact O-CG 3.27Å; C117-L121 WeakPolarHBondContact O-CG 3.38Å; C117-L121 PolarHBondContact O-N 3.33Å; C117-F132 HydrophobicContact CB-CD2 4.3Å; C117-F132 HydrophobicContact CB-CE2 3.65Å; C117-F132 HydrophobicContact CB-CZ 3.92Å
118	R	98.8	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.3	-44.6	176.9	-179.5	167.4	64.9	95.8	-12.2	112.1	G114 L115 V116 L121 S122 F132 Q139 I198 N199 F214	G114-R118 WeakPolarHBondContact O-CB 3.47Å; G114-R118 PolarHBondContact O-N 2.97Å; L115-R118 PolarHBondContact O-N 3.31Å; V116-R118 PolarHBondContact O-N 3.47Å; R118-L121 PolarHBondContact O-N 2.69Å; R118-S122 PolarHBondContact O-N 3.08Å; R118-S122 VanDerWaalsContact O-N 3.14Å; R118-S122 PolarHBondContact O-OG 2.72Å; R118-F132 HydrophobicContact CB-CE1 4.06Å; R118-F132 HydrophobicContact CB-CZ 4.38Å; R118-Q139 VanDerWaalsContact CD-OE1 3.3Å; R118-Q139 PolarHBondContact NH2-O 2.03Å; R118-I198 PolarHBondContact NH1-O 3.11Å; R118-N199 PolarHBondContact NH1-OD1 3.46Å; R118-N199 PolarHBondContact NH2-OD1 3.31Å; R118-F214 HydrophobicContact CG-CD2 4.33Å; R118-F214 HydrophobicContact CG-CE2 3.82Å; R118-F214 HydrophobicContact CG-CZ 4.29Å
119	A	98.8	Very high	98.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.2	-42.4	176.4	0	0	0	0	0	111.6	W84 V87 L115 V116 C117 L121 S122 V123 F194 I198	W84-A119 HydrophobicContact CH2-CB 4.49Å; W84-A119 HydrophobicContact CZ3-CB 4.21Å; V87-A119 HydrophobicContact CG1-CB 4.5Å; V87-A119 HydrophobicContact CG2-CB 3.6Å; L115-A119 WeakPolarHBondContact O-CB 3.47Å; L115-A119 PolarHBondContact O-N 2.97Å; V116-A119 PolarHBondContact O-N 2.82Å; C117-A119 PolarHBondContact O-N 3.35Å; A119-L121 PolarHBondContact O-N 3.39Å; A119-S122 WeakPolarHBondContact O-CA 3.36Å; A119-S122 VanDerWaalsContact O-CB 3.31Å; A119-S122 WeakPolarHBondContact O-CB 3.08Å; A119-S122 PolarHBondContact O-N 3.29Å; A119-V123 PolarHBondContact O-N 3.02Å; A119-F194 HydrophobicContact CB-CE1 4.48Å; A119-F194 HydrophobicContact CB-CE2 3.79Å; A119-F194 HydrophobicContact CB-CZ 3.47Å; A119-F194 VanDerWaalsContact CB-CZ 3.47Å; A119-I198 HydrophobicContact CB-CD1 4.31Å; A119-I198 HydrophobicContact CB-CG2 3.96Å
120	L	98.6	Very high	98.2	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-52.6	-51.9	173.4	178.4	74.9	0	0	0	111.5	R91 V94 V116 C117 S122 V123 M124	R91-L120 VanDerWaalsContact CA-CD1 3.44Å; R91-L120 HydrophobicContact CB-CD1 3.43Å; R91-L120 VanDerWaalsContact CB-CD1 3.43Å; R91-L120 HydrophobicContact CG-CD1 3.93Å; V94-L120 HydrophobicContact CB-CD2 4.41Å; V94-L120 HydrophobicContact CG1-CD2 4.32Å; V94-L120 HydrophobicContact CG2-CD2 4.16Å; V116-L120 VanDerWaalsContact O-CB 3.28Å; V116-L120 WeakPolarHBondContact O-CB 3.3Å; V116-L120 PolarHBondContact O-N 3.5Å; C117-L120 WeakPolarHBondContact O-CB 3.31Å; C117-L120 PolarHBondContact O-N 2.83Å; L120-S122 PolarHBondContact O-N 3.01Å; L120-V123 WeakPolarHBondContact O-CG2 3.04Å; L120-V123 PolarHBondContact O-N 3.08Å; L120-V123 VanDerWaalsContact O-N 3.14Å; L120-M124 HydrophobicContact CD1-CG 4.12Å; L120-M124 HydrophobicContact CD1-SD 3.38Å; L120-M124 WeakPolarHBondContact CD1-SD 3.24Å; L120-M124 HydrophobicContact CD2-SD 4.17Å; L120-M124 HydrophobicContact CG-CG 4.42Å; L120-M124 HydrophobicContact CG-SD 3.53Å; L120-M124 VanDerWaalsContact CG-SD 3.53Å; L120-M124 WeakPolarHBondContact O-CB 3.36Å; L120-M124 WeakPolarHBondContact O-CG 3.35Å; L120-M124 PolarHBondContact O-N 2.71Å
121	L	98.8	Very high	98.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.3	-21	178.9	-62.6	-179.6	0	0	0	113.7	L107 C117 R118 A119 H127 V129 F132 N213 F214 V217	L107-L121 HydrophobicContact CD1-CD1 4.28Å; L107-L121 HydrophobicContact CD1-CD2 3.94Å; L107-L121 HydrophobicContact CD1-CG 4.26Å; C117-L121 VanDerWaalsContact O-CG 3.27Å; C117-L121 WeakPolarHBondContact O-CG 3.38Å; C117-L121 PolarHBondContact O-N 3.33Å; R118-L121 PolarHBondContact O-N 2.69Å; A119-L121 PolarHBondContact O-N 3.39Å; L121-H127 HydrophobicContact CD2-CB 4.23Å; L121-H127 PolarHBondContact O-CD2 3.45Å; L121-H127 PolarHBondContact O-NE2 3.43Å; L121-V129 HydrophobicContact CD2-CB 4.04Å; L121-V129 HydrophobicContact CD2-CG2 3.44Å; L121-V129 VanDerWaalsContact CD2-CG2 3.44Å; L121-F132 HydrophobicContact CD1-CB 3.98Å; L121-F132 HydrophobicContact CD1-CD1 3.74Å; L121-F132 HydrophobicContact CD1-CG 3.89Å; L121-N213 CarbonylContact O-C 3.56Å; L121-N213 VanDerWaalsContact O-C 3.3Å; L121-N213 WeakPolarHBondContact O-CB 3.21Å; L121-F214 HydrophobicContact CB-CD2 4.05Å; L121-F214 PolarHBondContact O-N 2.75Å; L121-V217 HydrophobicContact CD1-CG2 4.38Å
122	S	98.4	Very high	98.2	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-79.2	-39.5	173.6	-57.2	0	0	0	0	111	R118 A119 L120 W210 N213	R118-S122 PolarHBondContact O-N 3.08Å; R118-S122 VanDerWaalsContact O-N 3.14Å; R118-S122 PolarHBondContact O-OG 2.72Å; A119-S122 WeakPolarHBondContact O-CA 3.36Å; A119-S122 VanDerWaalsContact O-CB 3.31Å; A119-S122 WeakPolarHBondContact O-CB 3.08Å; A119-S122 PolarHBondContact O-N 3.29Å; L120-S122 PolarHBondContact O-N 3.01Å; S122-W210 VanDerWaalsContact O-CA 3.29Å; S122-W210 WeakPolarHBondContact O-CA 3.4Å; S122-W210 VanDerWaalsContact O-CD1 3.3Å; S122-N213 WeakPolarHBondContact O-CB 3.44Å; S122-N213 PolarHBondContact O-ND2 3.06Å
123	V	97.7	Very high	98.3	Very high	25 Å²	25	15.5 Å²	15.5	15%	0.152	9%	0.085	C	C	.	.	H	α-helix	trans	-88.8	-14	-175.8	-56.4	0	0	0	0	114.6	W84 V87 A119 L120 W210	W84-V123 HydrophobicContact CH2-CG1 4.43Å; W84-V123 HydrophobicContact CZ3-CG1 3.96Å; V87-V123 HydrophobicContact CG1-CG2 3.97Å; A119-V123 PolarHBondContact O-N 3.02Å; L120-V123 WeakPolarHBondContact O-CG2 3.04Å; L120-V123 PolarHBondContact O-N 3.08Å; L120-V123 VanDerWaalsContact O-N 3.14Å; V123-W210 HydrophobicContact CG1-CZ2 4.29Å
124	M	97.7	Very high	98.3	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.084	C	C	.	.			trans	-93.3	119.5	175.8	-67.8	178	67	0	0	111.2	R91 V95 M98 L120 H127 N213	R91-M124 HydrophobicContact CG-CG 4.14Å; R91-M124 HydrophobicContact CG-SD 4.11Å; V95-M124 HydrophobicContact CG2-CE 3.84Å; M98-M124 HydrophobicContact SD-CE 3.67Å; L120-M124 HydrophobicContact CD1-CG 4.12Å; L120-M124 HydrophobicContact CD1-SD 3.38Å; L120-M124 WeakPolarHBondContact CD1-SD 3.24Å; L120-M124 HydrophobicContact CD2-SD 4.17Å; L120-M124 HydrophobicContact CG-CG 4.42Å; L120-M124 HydrophobicContact CG-SD 3.53Å; L120-M124 VanDerWaalsContact CG-SD 3.53Å; L120-M124 WeakPolarHBondContact O-CB 3.36Å; L120-M124 WeakPolarHBondContact O-CG 3.35Å; L120-M124 PolarHBondContact O-N 2.71Å; M124-H127 HydrophobicContact CB-CB 4.07Å; M124-H127 HydrophobicContact CE-CB 4.12Å; M124-H127 PolarHBondContact O-CD2 3.04Å; M124-H127 VanDerWaalsContact O-CD2 3.26Å; M124-N213 WeakPolarHBondContact O-CB 3.47Å; M124-N213 PolarHBondContact O-ND2 2.89Å
125	D	95.9	Very high	98.3	Very high	100 Å²	100	15.5 Å²	15.5	54%	0.535	8%	0.084	S	C	.	.	S	Bend	trans	-87	-11.6	180	60.4	-21.5	0	0	0	114.3	N213 R216	D125-N213 WeakPolarHBondContact CA-OD1 3.4Å; D125-R216 PolarHBondContact O-NE 3.46Å
126	D	94.6	Very high	98.2	Very high	97 Å²	97	15.5 Å²	15.5	52%	0.519	8%	0.084	S	C	.	.	S	Bend	trans	-117.8	4.9	-174	66.9	-21.1	0	0	0	113.9
127	H	98.3	Very high	98.2	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.084	C	C	.	.			trans	-60.3	149.6	178.4	80.6	76.6	0	0	0	111.5	M98 L121 M124 V129 N213 R216	M98-H127 HydrophobicContact CE-CB 4.24Å; M98-H127 HydrophobicContact SD-CB 3.92Å; L121-H127 HydrophobicContact CD2-CB 4.23Å; L121-H127 PolarHBondContact O-CD2 3.45Å; L121-H127 PolarHBondContact O-NE2 3.43Å; M124-H127 HydrophobicContact CB-CB 4.07Å; M124-H127 HydrophobicContact CE-CB 4.12Å; M124-H127 PolarHBondContact O-CD2 3.04Å; M124-H127 VanDerWaalsContact O-CD2 3.26Å; H127-V129 PolarHBondContact ND1-N 3.07Å; H127-N213 PolarHBondContact NE2-O 3.35Å; H127-R216 PolarHBondContact O-NE 3.01Å; H127-R216 VanDerWaalsContact O-NE 3.07Å; H127-R216 PolarHBondContact O-NH2 3.21Å
128	N	98.1	Very high	98.2	Very high	42 Å²	42	15.4 Å²	15.4	23%	0.225	8%	0.084	C	C	.	.			trans	-124.2	36.2	-178.3	63.1	-1.5	0	0	0	111.5	M98 A101 G104 V105 D130	M98-N128 WeakPolarHBondContact CB-OD1 3.25Å; M98-N128 WeakPolarHBondContact CG-OD1 3.45Å; M98-N128 PolarHBondContact O-ND2 2.96Å; A101-N128 PolarHBondContact O-ND2 3.16Å; G104-N128 WeakPolarHBondContact CA-O 3.35Å; V105-N128 PolarHBondContact N-O 2.68Å; N128-D130 PolarHBondContact O-N 3.42Å
129	V	98.6	Very high	98.2	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.018	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	121.7	-179.3	177.8	0	0	0	0	111	M98 V105 L107 L121 H127 S131 F132 V217 G218	M98-V129 HydrophobicContact CE-CG2 3.26Å; V105-V129 HydrophobicContact CG2-CG2 4.07Å; V105-V129 WeakPolarHBondContact O-CA 3.38Å; L107-V129 HydrophobicContact CD1-CG1 4.38Å; L107-V129 HydrophobicContact CD1-CG2 3.82Å; L107-V129 HydrophobicContact CD2-CG2 4.45Å; L107-V129 HydrophobicContact CG-CG1 4.02Å; L107-V129 HydrophobicContact CG-CG2 3.81Å; L121-V129 HydrophobicContact CD2-CB 4.04Å; L121-V129 HydrophobicContact CD2-CG2 3.44Å; L121-V129 VanDerWaalsContact CD2-CG2 3.44Å; H127-V129 PolarHBondContact ND1-N 3.07Å; V129-S131 WeakPolarHBondContact CG1-O 3.33Å; V129-F132 HydrophobicContact CG1-CB 4.19Å; V129-V217 HydrophobicContact CG1-CG2 4.06Å; V129-G218 PolarHBondContact O-N 3.13Å; V129-G218 VanDerWaalsContact O-N 3.09Å
130	D	98.3	Very high	98.2	Very high	47 Å²	47	15.5 Å²	15.5	25%	0.251	8%	0.084	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-53.6	176.4	-167.4	49.8	0	0	0	111.1	K37 V105 H106 N128 G218 H219	K37-D130 HydrophobicContact CD-CB 4.14Å; K37-D130 IonicContact NZ-OD1 2.89Å; K37-D130 PolarHBondContact NZ-OD1 2.96Å; K37-D130 IonicContact NZ-OD2 3.45Å; K37-D130 PolarHBondContact NZ-OD2 3.05Å; V105-D130 PolarHBondContact O-N 3Å; H106-D130 IonicContact CE1-OD2 3.33Å; H106-D130 PolarHBondContact CE1-OD2 3.06Å; N128-D130 PolarHBondContact O-N 3.42Å; D130-G218 CarbonylContact O-C 3.59Å; D130-G218 WeakPolarHBondContact O-CA 2.99Å; D130-G218 PolarHBondContact O-N 3.45Å; D130-G218 VanDerWaalsContact O-N 3.17Å; D130-H219 PolarHBondContact O-N 3.14Å
131	S	98.7	Very high	98.2	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.021	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.9	174.3	-49.4	0	0	0	0	109.9	H106 L107 V129 W300	H106-S131 CarbonylContact C-O 3.53Å; H106-S131 WeakPolarHBondContact CA-O 3.16Å; H106-S131 PolarHBondContact CE1-OG 3.38Å; H106-S131 WeakPolarHBondContact ND1-CB 3.24Å; H106-S131 PolarHBondContact ND1-N 3.31Å; H106-S131 PolarHBondContact ND1-OG 2.96Å; L107-S131 PolarHBondContact N-O 3.24Å; V129-S131 WeakPolarHBondContact CG1-O 3.33Å; S131-W300 PolarHBondContact OG-O 3.05Å
132	F	98.9	Very high	98.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	106.8	164.1	172	-149.9	0	0	0	108.9	L107 C109 G114 C117 R118 L121 V129 F214 V217 H219 L220 V221	L107-F132 HydrophobicContact CB-CD2 4.16Å; C109-F132 HydrophobicContact CB-CE2 3.94Å; G114-F132 WeakPolarHBondContact O-CZ 3.45Å; C117-F132 HydrophobicContact CB-CD2 4.3Å; C117-F132 HydrophobicContact CB-CE2 3.65Å; C117-F132 HydrophobicContact CB-CZ 3.92Å; R118-F132 HydrophobicContact CB-CE1 4.06Å; R118-F132 HydrophobicContact CB-CZ 4.38Å; L121-F132 HydrophobicContact CD1-CB 3.98Å; L121-F132 HydrophobicContact CD1-CD1 3.74Å; L121-F132 HydrophobicContact CD1-CG 3.89Å; V129-F132 HydrophobicContact CG1-CB 4.19Å; F132-F214 HydrophobicContact CD1-CE2 4.42Å; F132-V217 HydrophobicContact CB-CG2 3.74Å; F132-H219 PolarHBondContact N-O 3.33Å; F132-L220 HydrophobicContact CD1-CD1 3.43Å; F132-L220 VanDerWaalsContact CD1-CD1 3.43Å; F132-L220 HydrophobicContact CE1-CD1 3.74Å; F132-L220 HydrophobicContact CG-CD1 4.15Å; F132-L220 WeakPolarHBondContact O-CA 3.33Å; F132-V221 PolarHBondContact O-N 2.95Å
133	I	98.9	Very high	97.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	105.7	177.3	-60.3	162.6	0	0	0	108.3	L107 I108 C109 L135 V221 I223 I297 W300 L301	L107-I133 WeakPolarHBondContact O-CB 3.45Å; L107-I133 PolarHBondContact O-N 3.47Å; I108-I133 HydrophobicContact CD1-CD1 4.44Å; I108-I133 HydrophobicContact CG1-CB 4.21Å; I108-I133 HydrophobicContact CG1-CD1 3.88Å; I108-I133 HydrophobicContact CG2-CG2 4.37Å; C109-I133 PolarHBondContact N-O 3.36Å; I133-L135 PolarHBondContact O-N 2.93Å; I133-V221 HydrophobicContact CB-CB 4.42Å; I133-V221 HydrophobicContact CG1-CB 3.95Å; I133-V221 HydrophobicContact CG1-CG2 4.09Å; I133-I223 HydrophobicContact CG2-CD1 3.59Å; I133-I223 HydrophobicContact CG2-CG1 4.46Å; I133-I297 HydrophobicContact CD1-CG2 4.12Å; I133-I297 HydrophobicContact CG2-CG1 4.36Å; I133-W300 HydrophobicContact CD1-CB 4.02Å; I133-W300 HydrophobicContact CG1-CB 4.47Å; I133-L301 HydrophobicContact CD1-CD2 4.02Å
134	S	98.9	Very high	97.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	100.8	173.4	-174.4	0	0	0	0	109.2	S137 Q139 V221 I223	S134-S137 VanDerWaalsContact OG-CB 3.26Å; S134-S137 WeakPolarHBondContact OG-CB 3.4Å; S134-S137 PolarHBondContact OG-OG 2.84Å; S134-S137 VanDerWaalsContact OG-OG 3.12Å; S134-Q139 PolarHBondContact OG-NE2 3.45Å; S134-V221 PolarHBondContact N-O 3.04Å; S134-I223 PolarHBondContact O-N 2.96Å
135	L	98.9	Very high	96.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	101.8	-174.7	-178	63.4	0	0	0	110.8	C109 Y110 S111 I133 S137 I223 W286 H287 L292 I297	C109-L135 PolarHBondContact O-N 3.37Å; Y110-L135 CarbonylContact C-O 3.6Å; Y110-L135 WeakPolarHBondContact CA-O 2.98Å; Y110-L135 HydrophobicContact CD2-CB 4.43Å; Y110-L135 HydrophobicContact CD2-CD2 4.06Å; Y110-L135 HydrophobicContact CD2-CG 3.99Å; Y110-L135 WeakPolarHBondContact CD2-O 3.31Å; S111-L135 PolarHBondContact N-O 3.24Å; I133-L135 PolarHBondContact O-N 2.93Å; L135-S137 PolarHBondContact O-N 3.45Å; L135-S137 PolarHBondContact O-OG 3.32Å; L135-I223 HydrophobicContact CD1-CB 3.99Å; L135-I223 HydrophobicContact CD1-CD1 4.03Å; L135-I223 HydrophobicContact CD1-CG2 3.74Å; L135-W286 HydrophobicContact CD1-CB 4.03Å; L135-W286 HydrophobicContact CD1-CE3 4.36Å; L135-W286 HydrophobicContact CD2-CB 4.24Å; L135-W286 HydrophobicContact CG-CB 4.02Å; L135-H287 HydrophobicContact CD2-CB 4.08Å; L135-L292 HydrophobicContact CD1-CD2 3.93Å; L135-I297 HydrophobicContact CD2-CD1 4.49Å
136	S	98.4	Very high	96.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	44.1	55.3	-176.9	-153	0	0	0	0	114.6	S111 I223 D228 S237 H283 W286	S111-S136 VanDerWaalsContact CA-O 3.31Å; S111-S136 WeakPolarHBondContact CA-O 3.47Å; S136-I223 WeakPolarHBondContact CA-O 3.47Å; S136-I223 PolarHBondContact N-O 3.28Å; S136-D228 PolarHBondContact OG-OD2 3.14Å; S136-S237 WeakPolarHBondContact CA-OG 3.2Å; S136-S237 PolarHBondContact OG-OG 2.93Å; S136-H283 PolarHBondContact O-CE1 3.05Å; S136-W286 PolarHBondContact OG-NE1 3.43Å
137	S	98.7	Very high	95.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.			trans	-102.4	140.1	-175.4	-50.1	0	0	0	0	111.2	C109 S111 G114 S134 L135 Q139 S237	C109-S137 PolarHBondContact O-OG 3.18Å; S111-S137 VanDerWaalsContact O-CA 3.31Å; S111-S137 WeakPolarHBondContact O-CA 3.48Å; S111-S137 WeakPolarHBondContact O-CB 3.28Å; S111-S137 PolarHBondContact O-OG 3.29Å; G114-S137 WeakPolarHBondContact CA-OG 3.2Å; S134-S137 VanDerWaalsContact OG-CB 3.26Å; S134-S137 WeakPolarHBondContact OG-CB 3.4Å; S134-S137 PolarHBondContact OG-OG 2.84Å; S134-S137 VanDerWaalsContact OG-OG 3.12Å; L135-S137 PolarHBondContact O-N 3.45Å; L135-S137 PolarHBondContact O-OG 3.32Å; S137-Q139 PolarHBondContact O-N 2.99Å; S137-S237 PolarHBondContact N-OG 3.1Å; S137-S237 WeakPolarHBondContact O-CA 3.36Å; S137-S237 PolarHBondContact O-N 2.95Å; S137-S237 PolarHBondContact O-OG 2.84Å
138	P	98.6	Very high	94.9	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	9%	0.091	C	C	.	.			trans	-75	70.5	179.5	29.6	-31.9	0	0	0	111.3	L115 M140 G141 Y178 I231 S236	L115-P138 HydrophobicContact CD1-CG 3.94Å; L115-P138 WeakPolarHBondContact CD2-O 3.37Å; L115-P138 HydrophobicContact CG-CG 4.47Å; P138-M140 VanDerWaalsContact C-N 3.26Å; P138-M140 PolarHBondContact O-N 3.02Å; P138-G141 WeakPolarHBondContact CB-O 3.33Å; P138-G141 WeakPolarHBondContact O-CA 3.43Å; P138-G141 PolarHBondContact O-N 2.91Å; P138-Y178 HydrophobicContact CG-CD2 4.14Å; P138-Y178 HydrophobicContact CG-CE2 4.21Å; P138-I231 HydrophobicContact CB-CD1 4.11Å; P138-I231 HydrophobicContact CB-CG2 4.18Å; P138-I231 HydrophobicContact CG-CD1 4.1Å; P138-S236 WeakPolarHBondContact CA-OG 3.45Å
139	Q	98.8	Very high	94.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-28.2	-169.8	-69.2	-66.3	-6.1	0	0	113.5	G114 R118 S134 S137 S236 F239	G114-Q139 PolarHBondContact O-NE2 2.75Å; R118-Q139 VanDerWaalsContact CD-OE1 3.3Å; R118-Q139 PolarHBondContact NH2-O 2.03Å; S134-Q139 PolarHBondContact OG-NE2 3.45Å; S137-Q139 PolarHBondContact O-N 2.99Å; Q139-S236 VanDerWaalsContact CB-O 3.3Å; Q139-S236 WeakPolarHBondContact CB-O 3.32Å; Q139-S236 PolarHBondContact N-O 3.32Å; Q139-S236 PolarHBondContact N-OG 3.15Å; Q139-F239 HydrophobicContact CB-CD1 3.62Å; Q139-F239 HydrophobicContact CB-CD2 4.2Å; Q139-F239 HydrophobicContact CB-CE1 3.51Å; Q139-F239 HydrophobicContact CB-CE2 4.07Å; Q139-F239 HydrophobicContact CB-CG 3.98Å; Q139-F239 HydrophobicContact CB-CZ 3.74Å; Q139-F239 HydrophobicContact CG-CE1 4.18Å; Q139-F239 HydrophobicContact CG-CE2 4.07Å; Q139-F239 HydrophobicContact CG-CZ 3.88Å
140	M	98.6	Very high	93.3	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	15.5	169.9	-73.7	-63.6	-68.1	0	0	113.1	P138 H180 S236 F239 F241 V256	P138-M140 VanDerWaalsContact C-N 3.26Å; P138-M140 PolarHBondContact O-N 3.02Å; M140-H180 PolarHBondContact O-ND1 3.29Å; M140-S236 PolarHBondContact N-OG 2.99Å; M140-S236 VanDerWaalsContact N-OG 3.08Å; M140-F239 HydrophobicContact CG-CB 4.05Å; M140-F239 HydrophobicContact CG-CD1 4.13Å; M140-F239 WeakPolarHBondContact CG-O 3.15Å; M140-F239 HydrophobicContact SD-CD1 4.23Å; M140-F241 HydrophobicContact CB-CB 3.8Å; M140-F241 HydrophobicContact CB-CD2 3.83Å; M140-F241 HydrophobicContact CB-CG 4Å; M140-F241 HydrophobicContact CG-CB 4.43Å; M140-F241 WeakPolarHBondContact O-CD2 3.5Å; M140-V256 HydrophobicContact CE-CG1 4.35Å; M140-V256 HydrophobicContact CE-CG2 3.98Å; M140-V256 HydrophobicContact SD-CG2 3.82Å
141	G	98.1	Very high	92.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.117	C	C	.	.			trans	90.9	-167.3	180	0	0	0	0	0	114	P138 Y178 L195 S236 F241	P138-G141 WeakPolarHBondContact CB-O 3.33Å; P138-G141 WeakPolarHBondContact O-CA 3.43Å; P138-G141 PolarHBondContact O-N 2.91Å; G141-Y178 CarbonylContact C-O 3.55Å; G141-Y178 WeakPolarHBondContact CA-O 3.35Å; G141-L195 VanDerWaalsContact CA-CD2 3.45Å; G141-S236 PolarHBondContact N-OG 2.94Å; G141-S236 WeakPolarHBondContact O-CB 3.25Å; G141-S236 PolarHBondContact O-OG 3.1Å; G141-F241 WeakPolarHBondContact O-CE2 3.29Å
142	Q	96.1	Very high	91.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-133.9	137.5	-174	176.7	69.7	21.9	0	0	110.5	Y178 W179 H180 V230 I231 T232	Q142-Y178 HydrophobicContact CB-CD2 4.06Å; Q142-Y178 HydrophobicContact CB-CE2 4.23Å; Q142-Y178 PolarHBondContact N-O 3.22Å; Q142-W179 HydrophobicContact CG-CE3 4.48Å; Q142-W179 HydrophobicContact CG-CZ3 4.24Å; Q142-W179 VanDerWaalsContact O-CE3 3.26Å; Q142-H180 PolarHBondContact O-N 3.19Å; Q142-H180 VanDerWaalsContact O-N 3.1Å; Q142-V230 PolarHBondContact NE2-O 2.82Å; Q142-V230 PolarHBondContact OE1-O 3.02Å; Q142-I231 VanDerWaalsContact OE1-CA 3.28Å; Q142-T232 PolarHBondContact OE1-O 2.88Å
143	Y	95.9	Very high	90.8	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.016	13%	0.133	C	C	.	.			trans	-148.7	77.3	168.9	-171.1	-105.4	0	0	0	111.4	W179 H180 D181 P182 H183 T232 Y242	Y143-W179 AromaticContact CD2-CE2 3.78Å; Y143-W179 AromaticContact CD2-CH2 3.76Å; Y143-W179 HydrophobicContact CD2-CH2 3.76Å; Y143-W179 AromaticContact CD2-CZ2 3.24Å; Y143-W179 HydrophobicContact CD2-CZ2 3.24Å; Y143-W179 HydrophobicContact CE2-CH2 4.27Å; Y143-W179 AromaticContact CE2-CZ2 3.52Å; Y143-W179 HydrophobicContact CE2-CZ2 3.52Å; Y143-W179 HydrophobicContact CG-CH2 4.43Å; Y143-W179 HydrophobicContact CG-CZ2 4.29Å; Y143-H180 WeakPolarHBondContact CB-O 3.41Å; Y143-D181 HydrophobicContact CD2-CB 4.12Å; Y143-D181 HydrophobicContact CE2-CB 4Å; Y143-D181 WeakPolarHBondContact CE2-OD1 3.49Å; Y143-P182 HydrophobicContact CD1-CG 4.05Å; Y143-P182 HydrophobicContact CE1-CG 4.18Å; Y143-P182 HydrophobicContact CG-CG 4.43Å; Y143-H183 AromaticContact CZ-CD2 3.86Å; Y143-H183 PolarHBondContact OH-CD2 3.42Å; Y143-T232 CarbonylContact C-O 3.53Å; Y143-T232 PolarHBondContact N-O 2.93Å; Y143-Y242 HydrophobicContact CD1-CD2 4.13Å; Y143-Y242 HydrophobicContact CD1-CE2 4.2Å
144	G	89	Confident	89.8	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.01	17%	0.165	C	C	.	.			trans	-143.9	162.3	-177.7	0	0	0	0	0	113.7	T146 L149	G144-T146 PolarHBondContact O-N 3Å; G144-L149 WeakPolarHBondContact O-CD1 3.42Å
145	D	84.5	Confident	88.7	Confident	88 Å²	88	40 Å²	40	47%	0.471	21%	0.205	S	C	.	.			trans	-93	70.8	175.3	-77.2	-49.4	0	0	0	111	K150 R158	D145-K150 PolarHBondContact O-NZ 3.02Å; D145-R158 VanDerWaalsContact CG-CG 3.49Å; D145-R158 WeakPolarHBondContact OD1-CB 3.13Å; D145-R158 WeakPolarHBondContact OD1-CG 3.36Å; D145-R158 PolarHBondContact OD1-N 2.89Å; D145-R158 WeakPolarHBondContact OD2-CD 3.2Å; D145-R158 WeakPolarHBondContact OD2-CG 3.37Å; D145-R158 IonicContact OD2-NE 2.68Å; D145-R158 PolarHBondContact OD2-NE 3Å; D145-R158 VanDerWaalsContact OD2-NE 3.1Å
146	T	83.3	Confident	87.4	Confident	8 Å²	8	41.6 Å²	41.6	5%	0.049	22%	0.216	C	C	.	.			trans	-89	158.1	-177.8	65.8	0	0	0	0	112.7	G144 Y148 L149 K150 V230	G144-T146 PolarHBondContact O-N 3Å; T146-Y148 HydrophobicContact CG2-CD1 4.38Å; T146-Y148 HydrophobicContact CG2-CE1 3.99Å; T146-Y148 PolarHBondContact O-N 2.02Å; T146-Y148 WeakPolarHBondContact OG1-CD1 2.98Å; T146-Y148 WeakPolarHBondContact OG1-CE1 3.36Å; T146-L149 PolarHBondContact O-N 2.84Å; T146-L149 WeakPolarHBondContact OG1-CB 3.41Å; T146-L149 WeakPolarHBondContact OG1-CD1 3.35Å; T146-L149 VanDerWaalsContact OG1-CG 3.23Å; T146-L149 WeakPolarHBondContact OG1-CG 3.35Å; T146-L149 PolarHBondContact OG1-N 3.36Å; T146-K150 WeakPolarHBondContact O-CG 3.26Å; T146-K150 PolarHBondContact O-N 3.2Å; T146-K150 VanDerWaalsContact O-N 3.08Å; T146-V230 WeakPolarHBondContact CG2-O 3.35Å
147	D	82.9	Confident	86.4	Confident	126 Å²	126	47.7 Å²	47.7	67%	0.674	25%	0.246	S	C	*	.	H	α-helix	trans	-68.7	-33	-178.3	-67.3	-20.2	0	0	0	113.1	L149 K150 W151	D147-L149 VanDerWaalsContact C-N 3.32Å; D147-L149 PolarHBondContact O-N 3.13Å; D147-K150 PolarHBondContact O-N 3.33Å; D147-K150 IonicContact OD1-NZ 3.72Å; D147-K150 PolarHBondContact OD1-NZ 3.2Å; D147-W151 WeakPolarHBondContact O-CB 3.04Å; D147-W151 PolarHBondContact O-N 3.28Å
148	Y	80.9	Confident	85.7	Confident	42 Å²	42	50.4 Å²	50.4	17%	0.165	26%	0.256	C	S	.	.	H	α-helix	trans	-66.2	-35.8	175	84	-96	0	0	0	111.8	L45 T146 W151 L152 I175 V230	L45-Y148 HydrophobicContact CD2-CD2 3.94Å; L45-Y148 HydrophobicContact CD2-CE2 3.94Å; T146-Y148 HydrophobicContact CG2-CD1 4.38Å; T146-Y148 HydrophobicContact CG2-CE1 3.99Å; T146-Y148 PolarHBondContact O-N 2.02Å; T146-Y148 WeakPolarHBondContact OG1-CD1 2.98Å; T146-Y148 WeakPolarHBondContact OG1-CE1 3.36Å; Y148-W151 PolarHBondContact O-N 3.37Å; Y148-L152 HydrophobicContact CD2-CD1 4.16Å; Y148-L152 WeakPolarHBondContact O-CG 3.42Å; Y148-L152 PolarHBondContact O-N 2.8Å; Y148-I175 HydrophobicContact CD2-CD1 4.26Å; Y148-I175 HydrophobicContact CE2-CD1 3.86Å; Y148-I175 HydrophobicContact CE2-CG1 4.18Å; Y148-I175 HydrophobicContact CE2-CG2 4.24Å; Y148-V230 HydrophobicContact CD1-CG1 4.04Å; Y148-V230 HydrophobicContact CE1-CG1 3.73Å
149	L	80.5	Confident	84.9	Confident	7 Å²	7	52.9 Å²	52.9	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-68.5	-43.5	175.6	-72.9	173.1	0	0	0	111.1	G144 T146 D147 W151 L152 F153 L161 I175 W179	G144-L149 WeakPolarHBondContact O-CD1 3.42Å; T146-L149 PolarHBondContact O-N 2.84Å; T146-L149 WeakPolarHBondContact OG1-CB 3.41Å; T146-L149 WeakPolarHBondContact OG1-CD1 3.35Å; T146-L149 VanDerWaalsContact OG1-CG 3.23Å; T146-L149 WeakPolarHBondContact OG1-CG 3.35Å; T146-L149 PolarHBondContact OG1-N 3.36Å; D147-L149 VanDerWaalsContact C-N 3.32Å; D147-L149 PolarHBondContact O-N 3.13Å; L149-W151 PolarHBondContact O-N 2.89Å; L149-L152 PolarHBondContact O-N 3.12Å; L149-F153 HydrophobicContact CD2-CD2 4.12Å; L149-F153 HydrophobicContact CD2-CE2 4.07Å; L149-F153 WeakPolarHBondContact O-CA 3.25Å; L149-F153 WeakPolarHBondContact O-CB 3.33Å; L149-F153 PolarHBondContact O-N 2.81Å; L149-L161 HydrophobicContact CD1-CD1 4.28Å; L149-L161 HydrophobicContact CD2-CD1 4.3Å; L149-I175 HydrophobicContact CD2-CG2 3.62Å; L149-W179 HydrophobicContact CD1-CH2 4.38Å; L149-W179 HydrophobicContact CD1-CZ3 3.7Å
150	K	82.9	Confident	84.4	Confident	106 Å²	106	55.4 Å²	55.4	46%	0.461	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-35.8	174.3	-66.1	169.8	-159.9	152.6	0	111.7	D145 T146 D147 F153 P154	D145-K150 PolarHBondContact O-NZ 3.02Å; T146-K150 WeakPolarHBondContact O-CG 3.26Å; T146-K150 PolarHBondContact O-N 3.2Å; T146-K150 VanDerWaalsContact O-N 3.08Å; D147-K150 PolarHBondContact O-N 3.33Å; D147-K150 IonicContact OD1-NZ 3.72Å; D147-K150 PolarHBondContact OD1-NZ 3.2Å; K150-F153 CarbonylContact O-C 3.58Å; K150-P154 WeakPolarHBondContact O-CA 3.19Å; K150-P154 WeakPolarHBondContact O-CB 3.3Å
151	W	82.3	Confident	84	Confident	142 Å²	142	55.6 Å²	55.6	54%	0.538	29%	0.288	S	S	.	.	H	α-helix	trans	-69.2	-42	176.6	174	69.9	0	0	0	112.7	F46 D147 Y148 L149	F46-W151 HydrophobicContact CE1-CZ3 4.29Å; F46-W151 HydrophobicContact CE2-CZ3 4.07Å; F46-W151 AromaticContact CZ-CZ3 3.7Å; F46-W151 HydrophobicContact CZ-CZ3 3.7Å; D147-W151 WeakPolarHBondContact O-CB 3.04Å; D147-W151 PolarHBondContact O-N 3.28Å; Y148-W151 PolarHBondContact O-N 3.37Å; L149-W151 PolarHBondContact O-N 2.89Å
152	L	78.8	Confident	83.7	Confident	47 Å²	47	57.5 Å²	57.5	25%	0.246	30%	0.296	C	S	.	.	H	α-helix	trans	-75.6	-35.2	178.8	-72.2	171.3	0	0	0	113.3	F46 L80 Y148 L149 P154 I175	F46-L152 HydrophobicContact CE2-CD1 4.33Å; F46-L152 HydrophobicContact CZ-CD1 4.12Å; F46-L152 HydrophobicContact CZ-CD2 4.27Å; L80-L152 HydrophobicContact CD1-CD2 4.45Å; L80-L152 HydrophobicContact CD2-CD1 4.24Å; Y148-L152 HydrophobicContact CD2-CD1 4.16Å; Y148-L152 WeakPolarHBondContact O-CG 3.42Å; Y148-L152 PolarHBondContact O-N 2.8Å; L149-L152 PolarHBondContact O-N 3.12Å; L152-P154 VanDerWaalsContact C-CD 3.41Å; L152-P154 WeakPolarHBondContact O-CD 3.48Å; L152-I175 HydrophobicContact CD1-CD1 3.12Å
153	F	81.8	Confident	83.6	Confident	26 Å²	26	65.4 Å²	65.4	11%	0.114	33%	0.325	C	S	.	.	S	Bend	trans	-126.5	61.1	-175.1	-52.4	-72.6	0	0	0	111.1	L149 K150 T155 S156 L161 I164	L149-F153 HydrophobicContact CD2-CD2 4.12Å; L149-F153 HydrophobicContact CD2-CE2 4.07Å; L149-F153 WeakPolarHBondContact O-CA 3.25Å; L149-F153 WeakPolarHBondContact O-CB 3.33Å; L149-F153 PolarHBondContact O-N 2.81Å; K150-F153 CarbonylContact O-C 3.58Å; F153-T155 PolarHBondContact O-N 2.89Å; F153-S156 PolarHBondContact O-N 3.48Å; F153-L161 HydrophobicContact CB-CD2 3.65Å; F153-L161 HydrophobicContact CD1-CD2 4.27Å; F153-L161 HydrophobicContact CD2-CD2 3.75Å; F153-L161 HydrophobicContact CE2-CD2 4.47Å; F153-L161 HydrophobicContact CG-CD2 3.63Å; F153-I164 HydrophobicContact CD1-CD1 3.88Å; F153-I164 HydrophobicContact CE1-CD1 4.41Å; F153-I164 HydrophobicContact CE1-CG2 4Å
154	P	77.4	Confident	83.5	Confident	102 Å²	102	67.1 Å²	67.1	66%	0.662	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.4	-168.6	26	-36.1	0	0	0	114.9	K150 L152	K150-P154 WeakPolarHBondContact O-CA 3.19Å; K150-P154 WeakPolarHBondContact O-CB 3.3Å; L152-P154 VanDerWaalsContact C-CD 3.41Å; L152-P154 WeakPolarHBondContact O-CD 3.48Å
155	T	76.6	Confident	83.8	Confident	139 Å²	139	67.1 Å²	67.1	85%	0.853	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	0.6	180	56.3	0	0	0	0	113.4	F153	F153-T155 PolarHBondContact O-N 2.89Å
156	S	71.1	Confident	84.4	Confident	32 Å²	32	64 Å²	64	22%	0.224	32%	0.316	C	S	.	.			trans	-118.9	131.5	-175.3	-60	0	0	0	0	111.4	F153	F153-S156 PolarHBondContact O-N 3.48Å
157	M	77.3	Confident	85	Confident	128 Å²	128	65.2 Å²	65.2	63%	0.631	32%	0.324	S	S	*	.			trans	-79.2	157.6	166.2	-59	176.8	71.7	0	0	109.6	S159 N160 L161	M157-S159 PolarHBondContact O-N 3.34Å; M157-S159 VanDerWaalsContact O-N 3.12Å; M157-N160 PolarHBondContact O-N 2.89Å; M157-L161 PolarHBondContact O-N 3.35Å
158	R	85.1	Confident	85.7	Confident	58 Å²	58	64.8 Å²	64.8	22%	0.219	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-49	-43.4	177.2	65.2	176.6	177.6	143.3	13.9	113.2	D145 N160 L161 W179 E246	D145-R158 VanDerWaalsContact CG-CG 3.49Å; D145-R158 WeakPolarHBondContact OD1-CB 3.13Å; D145-R158 WeakPolarHBondContact OD1-CG 3.36Å; D145-R158 PolarHBondContact OD1-N 2.89Å; D145-R158 WeakPolarHBondContact OD2-CD 3.2Å; D145-R158 WeakPolarHBondContact OD2-CG 3.37Å; D145-R158 IonicContact OD2-NE 2.68Å; D145-R158 PolarHBondContact OD2-NE 3Å; D145-R158 VanDerWaalsContact OD2-NE 3.1Å; R158-N160 PolarHBondContact O-N 2.83Å; R158-L161 WeakPolarHBondContact O-CB 3.42Å; R158-L161 PolarHBondContact O-N 2.83Å; R158-W179 HydrophobicContact CB-CH2 3.88Å; R158-W179 HydrophobicContact CB-CZ2 4.18Å; R158-W179 WeakPolarHBondContact O-CZ2 3.47Å; R158-E246 IonicContact CZ-OE2 3.56Å; R158-E246 IonicContact NH1-OE2 3.77Å; R158-E246 PolarHBondContact NH1-OE2 3.45Å; R158-E246 IonicContact NH2-OE1 2.68Å; R158-E246 IonicContact NH2-OE2 3.81Å; R158-E246 PolarHBondContact NH2-OE2 2.92Å
159	S	81.1	Confident	86.4	Confident	52 Å²	52	70.5 Å²	70.5	36%	0.364	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-67.2	-9.5	-178.7	58.3	0	0	0	0	114.6	M157 Y162	M157-S159 PolarHBondContact O-N 3.34Å; M157-S159 VanDerWaalsContact O-N 3.12Å; S159-Y162 WeakPolarHBondContact O-CD1 3.3Å; S159-Y162 WeakPolarHBondContact O-CE1 3.48Å
160	N	88.1	Confident	87.1	Confident	54 Å²	54	70.1 Å²	70.1	29%	0.289	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-110.2	-7.3	175.6	-73.3	-55.4	0	0	0	112.8	M157 R158 Y162 R163	M157-N160 PolarHBondContact O-N 2.89Å; R158-N160 PolarHBondContact O-N 2.83Å; N160-Y162 PolarHBondContact O-N 3.16Å; N160-R163 WeakPolarHBondContact O-CB 3.3Å; N160-R163 PolarHBondContact O-N 2.87Å; N160-R163 VanDerWaalsContact O-N 3.09Å
161	L	91	Very high	87.8	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.021	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.6	-178.7	-74.9	179.3	0	0	0	112.6	L149 F153 M157 R158 R163 I164 C165 W179	L149-L161 HydrophobicContact CD1-CD1 4.28Å; L149-L161 HydrophobicContact CD2-CD1 4.3Å; F153-L161 HydrophobicContact CB-CD2 3.65Å; F153-L161 HydrophobicContact CD1-CD2 4.27Å; F153-L161 HydrophobicContact CD2-CD2 3.75Å; F153-L161 HydrophobicContact CE2-CD2 4.47Å; F153-L161 HydrophobicContact CG-CD2 3.63Å; M157-L161 PolarHBondContact O-N 3.35Å; R158-L161 WeakPolarHBondContact O-CB 3.42Å; R158-L161 PolarHBondContact O-N 2.83Å; L161-R163 PolarHBondContact O-N 2.79Å; L161-R163 VanDerWaalsContact O-N 3.13Å; L161-I164 PolarHBondContact O-N 3.16Å; L161-C165 PolarHBondContact O-N 3.01Å; L161-W179 HydrophobicContact CB-CD2 4.47Å; L161-W179 HydrophobicContact CB-CH2 4.5Å; L161-W179 HydrophobicContact CB-CZ2 3.89Å; L161-W179 HydrophobicContact CD1-CE3 4.39Å; L161-W179 HydrophobicContact CD1-CH2 3.7Å; L161-W179 HydrophobicContact CD1-CZ2 3.95Å; L161-W179 HydrophobicContact CD1-CZ3 3.93Å; L161-W179 HydrophobicContact CG-CZ2 4.47Å
162	Y	91.8	Very high	88.5	Confident	41 Å²	41	64.6 Å²	64.6	16%	0.161	33%	0.33	C	S	.	.	H	α-helix	trans	-53.2	-33.8	173.1	80.2	-93.4	0	0	0	112.6	S159 N160 I164 Y166 H184 L187	S159-Y162 WeakPolarHBondContact O-CD1 3.3Å; S159-Y162 WeakPolarHBondContact O-CE1 3.48Å; N160-Y162 PolarHBondContact O-N 3.16Å; Y162-I164 PolarHBondContact O-N 3.07Å; Y162-Y166 VanDerWaalsContact O-CB 3.27Å; Y162-Y166 WeakPolarHBondContact O-CB 3.45Å; Y162-Y166 PolarHBondContact O-N 3.04Å; Y162-H184 AromaticContact CD1-CE1 3.43Å; Y162-H184 VanDerWaalsContact CD1-CE1 3.43Å; Y162-H184 WeakPolarHBondContact CD1-CE1 3.15Å; Y162-H184 AromaticContact CD1-ND1 3.56Å; Y162-H184 AromaticContact CE1-CE1 3.34Å; Y162-H184 WeakPolarHBondContact CE1-CE1 3.43Å; Y162-H184 AromaticContact CE1-ND1 3.95Å; Y162-H184 AromaticContact CE1-NE2 3.62Å; Y162-H184 AromaticContact CG-CE1 4Å; Y162-H184 AromaticContact CG-ND1 3.78Å; Y162-H184 AromaticContact CZ-CE1 3.84Å; Y162-H184 AromaticContact CZ-NE2 3.62Å; Y162-L187 HydrophobicContact CD2-CD1 3.66Å; Y162-L187 HydrophobicContact CE2-CD1 3.99Å
163	R	93	Very high	89.4	Confident	166 Å²	166	65.5 Å²	65.5	63%	0.626	33%	0.332	S	S	*	.	H	α-helix	trans	-65	-31.5	179.6	-64	-177.8	174.3	176.8	-0.7	112.5	N160 L161	N160-R163 WeakPolarHBondContact O-CB 3.3Å; N160-R163 PolarHBondContact O-N 2.87Å; N160-R163 VanDerWaalsContact O-N 3.09Å; L161-R163 PolarHBondContact O-N 2.79Å; L161-R163 VanDerWaalsContact O-N 3.13Å
164	I	93.3	Very high	90.1	Very high	40 Å²	40	64.2 Å²	64.2	21%	0.205	33%	0.326	C	S	.	.	H	α-helix	trans	-86.3	-58.6	175.9	-60.9	174.8	0	0	0	108.1	F153 L161 Y162 Y166 S167 W169 G170	F153-I164 HydrophobicContact CD1-CD1 3.88Å; F153-I164 HydrophobicContact CE1-CD1 4.41Å; F153-I164 HydrophobicContact CE1-CG2 4Å; L161-I164 PolarHBondContact O-N 3.16Å; Y162-I164 PolarHBondContact O-N 3.07Å; I164-Y166 VanDerWaalsContact C-N 3.34Å; I164-Y166 PolarHBondContact O-N 2.92Å; I164-S167 WeakPolarHBondContact O-CB 3.38Å; I164-S167 PolarHBondContact O-N 3.42Å; I164-S167 PolarHBondContact O-OG 2.97Å; I164-W169 HydrophobicContact CG2-CE3 4.42Å; I164-W169 HydrophobicContact CG2-CZ3 3.98Å; I164-G170 VanDerWaalsContact O-CA 3.32Å; I164-G170 WeakPolarHBondContact O-CA 3.45Å
165	C	96.2	Very high	91.1	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-64.7	-33.4	-170.1	-74.7	0	0	0	0	113.9	L161 S167 Q171 C176 W179	L161-C165 PolarHBondContact O-N 3.01Å; C165-S167 VanDerWaalsContact C-N 3.28Å; C165-S167 PolarHBondContact O-N 2.81Å; C165-Q171 PolarHBondContact O-NE2 2.95Å; C165-C176 WeakPolarHBondContact CA-SG 3.29Å; C165-C176 HydrophobicContact CB-CB 3.4Å; C165-C176 WeakPolarHBondContact CB-SG 3.2Å; C165-C176 WeakPolarHBondContact SG-CA 3.27Å; C165-C176 WeakPolarHBondContact SG-CB 3.48Å; C165-C176 CovalentContact SG-SG 2.06Å; C165-C176 PolarHBondContact SG-SG 3.23Å; C165-W179 HydrophobicContact CB-CB 4.04Å; C165-W179 HydrophobicContact CB-CG 4.18Å
166	Y	97.1	Very high	92.1	Very high	24 Å²	24	52.9 Å²	52.9	9%	0.094	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	14.1	177.6	-55.3	-31.1	0	0	0	113.5	Y162 I164 W179 D181 H184 L187 Y188 A191	Y162-Y166 VanDerWaalsContact O-CB 3.27Å; Y162-Y166 WeakPolarHBondContact O-CB 3.45Å; Y162-Y166 PolarHBondContact O-N 3.04Å; I164-Y166 VanDerWaalsContact C-N 3.34Å; I164-Y166 PolarHBondContact O-N 2.92Å; Y166-W179 WeakPolarHBondContact CE1-O 3.41Å; Y166-W179 AromaticContact CZ-CD1 3.78Å; Y166-W179 PolarHBondContact OH-O 3.26Å; Y166-D181 HydrophobicContact CE2-CB 4.03Å; Y166-D181 WeakPolarHBondContact OH-CB 3.29Å; Y166-D181 PolarHBondContact OH-N 3.4Å; Y166-H184 HydrophobicContact CE2-CB 4.4Å; Y166-L187 HydrophobicContact CD2-CB 3.48Å; Y166-L187 VanDerWaalsContact CD2-CB 3.48Å; Y166-L187 HydrophobicContact CD2-CD1 4.45Å; Y166-L187 HydrophobicContact CE2-CB 4.12Å; Y166-L187 HydrophobicContact CG-CB 4.17Å; Y166-Y188 HydrophobicContact CE1-CD2 4.25Å; Y166-A191 HydrophobicContact CD1-CB 4.08Å; Y166-A191 HydrophobicContact CG-CB 4.07Å; Y166-A191 WeakPolarHBondContact O-CB 3.04Å
167	S	96.6	Very high	93.4	Very high	32 Å²	32	51.3 Å²	51.3	22%	0.224	24%	0.244	C	C	.	.	S	Bend	trans	-87.8	154.8	164.8	76.5	0	0	0	0	111	I164 C165 W169 G170 Q171	I164-S167 WeakPolarHBondContact O-CB 3.38Å; I164-S167 PolarHBondContact O-N 3.42Å; I164-S167 PolarHBondContact O-OG 2.97Å; C165-S167 VanDerWaalsContact C-N 3.28Å; C165-S167 PolarHBondContact O-N 2.81Å; S167-W169 PolarHBondContact O-N 3.49Å; S167-G170 PolarHBondContact O-N 3.49Å; S167-G170 VanDerWaalsContact O-N 3.08Å; S167-G170 PolarHBondContact OG-N 2.99Å; S167-Q171 PolarHBondContact O-N 3.1Å; S167-Q171 VanDerWaalsContact O-N 3.1Å
168	P	96.1	Very high	94.4	Very high	117 Å²	117	45.5 Å²	45.5	76%	0.76	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-40.7	174.9	-27.9	35.5	0	0	0	113.1	Q171	P168-Q171 PolarHBondContact O-N 3.32Å
169	W	95.9	Very high	95	Very high	162 Å²	162	42.8 Å²	42.8	61%	0.614	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-38.1	177.5	178.4	81.4	0	0	0	112.6	I164 S167 Q171 E172 F173	I164-W169 HydrophobicContact CG2-CE3 4.42Å; I164-W169 HydrophobicContact CG2-CZ3 3.98Å; S167-W169 PolarHBondContact O-N 3.49Å; W169-Q171 VanDerWaalsContact C-N 3.3Å; W169-Q171 PolarHBondContact O-N 3.08Å; W169-E172 WeakPolarHBondContact O-CB 3.38Å; W169-E172 PolarHBondContact O-N 3.47Å; W169-E172 VanDerWaalsContact O-N 3.12Å; W169-F173 AromaticContact CD2-CE2 3.97Å; W169-F173 HydrophobicContact CD2-CE2 3.97Å; W169-F173 AromaticContact CE2-CE2 3.57Å; W169-F173 HydrophobicContact CE3-CE2 4.13Å; W169-F173 HydrophobicContact CH2-CD2 4.48Å; W169-F173 AromaticContact CH2-CE2 3.57Å; W169-F173 HydrophobicContact CH2-CE2 3.57Å; W169-F173 AromaticContact CH2-CZ 3.92Å; W169-F173 HydrophobicContact CH2-CZ 3.92Å; W169-F173 AromaticContact CZ2-CE2 3.38Å; W169-F173 HydrophobicContact CZ2-CE2 3.38Å; W169-F173 AromaticContact CZ2-CZ 3.59Å; W169-F173 HydrophobicContact CZ2-CZ 3.59Å; W169-F173 AromaticContact CZ3-CE2 3.94Å; W169-F173 HydrophobicContact CZ3-CE2 3.94Å
170	G	95.9	Very high	95.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-62.9	-37.2	176.1	0	0	0	0	0	112.5	I164 S167 E172 F173 C176	I164-G170 VanDerWaalsContact O-CA 3.32Å; I164-G170 WeakPolarHBondContact O-CA 3.45Å; S167-G170 PolarHBondContact O-N 3.49Å; S167-G170 VanDerWaalsContact O-N 3.08Å; S167-G170 PolarHBondContact OG-N 2.99Å; G170-E172 PolarHBondContact O-N 2.97Å; G170-E172 VanDerWaalsContact O-N 3.12Å; G170-F173 PolarHBondContact O-N 3.33Å; G170-C176 WeakPolarHBondContact O-CB 3.16Å
171	Q	97.6	Very high	96.2	Very high	14 Å²	14	38.3 Å²	38.3	7%	0.065	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-67.4	-6	175.9	-70.1	-62.6	-52.4	0	0	114.1	C165 S167 P168 W169 C176 N177 A191 S193	C165-Q171 PolarHBondContact O-NE2 2.95Å; S167-Q171 PolarHBondContact O-N 3.1Å; S167-Q171 VanDerWaalsContact O-N 3.1Å; P168-Q171 PolarHBondContact O-N 3.32Å; W169-Q171 VanDerWaalsContact C-N 3.3Å; W169-Q171 PolarHBondContact O-N 3.08Å; Q171-C176 PolarHBondContact NE2-O 3.26Å; Q171-N177 PolarHBondContact O-ND2 3.21Å; Q171-N177 PolarHBondContact OE1-ND2 2.97Å; Q171-N177 VanDerWaalsContact OE1-ND2 3.08Å; Q171-A191 WeakPolarHBondContact CG-O 3.42Å; Q171-S193 PolarHBondContact OE1-OG 3.29Å
172	E	97.3	Very high	96.5	Very high	118 Å²	118	38.8 Å²	38.8	55%	0.551	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-81	-1.6	167.6	-60.3	-61.1	151.1	0	0	113	P82 W169 G170	P82-E172 WeakPolarHBondContact CD-O 3.3Å; P82-E172 WeakPolarHBondContact CG-O 3.32Å; P82-E172 WeakPolarHBondContact CG-OE2 3.37Å; W169-E172 WeakPolarHBondContact O-CB 3.38Å; W169-E172 PolarHBondContact O-N 3.47Å; W169-E172 VanDerWaalsContact O-N 3.12Å; G170-E172 PolarHBondContact O-N 2.97Å; G170-E172 VanDerWaalsContact O-N 3.12Å
173	F	96.8	Very high	96.7	Very high	65 Å²	65	41.1 Å²	41.1	29%	0.285	19%	0.192	S	C	.	.	S	Bend	trans	-112	131.4	175.3	-64.3	-88.9	0	0	0	111.3	L80 W169 G170 I175 C176 N177	L80-F173 WeakPolarHBondContact O-CA 3.21Å; W169-F173 AromaticContact CD2-CE2 3.97Å; W169-F173 HydrophobicContact CD2-CE2 3.97Å; W169-F173 AromaticContact CE2-CE2 3.57Å; W169-F173 HydrophobicContact CE3-CE2 4.13Å; W169-F173 HydrophobicContact CH2-CD2 4.48Å; W169-F173 AromaticContact CH2-CE2 3.57Å; W169-F173 HydrophobicContact CH2-CE2 3.57Å; W169-F173 AromaticContact CH2-CZ 3.92Å; W169-F173 HydrophobicContact CH2-CZ 3.92Å; W169-F173 AromaticContact CZ2-CE2 3.38Å; W169-F173 HydrophobicContact CZ2-CE2 3.38Å; W169-F173 AromaticContact CZ2-CZ 3.59Å; W169-F173 HydrophobicContact CZ2-CZ 3.59Å; W169-F173 AromaticContact CZ3-CE2 3.94Å; W169-F173 HydrophobicContact CZ3-CE2 3.94Å; G170-F173 PolarHBondContact O-N 3.33Å; F173-I175 VanDerWaalsContact C-N 3.27Å; F173-I175 PolarHBondContact O-N 3.19Å; F173-C176 WeakPolarHBondContact O-CB 3.44Å; F173-C176 PolarHBondContact O-N 3.49Å; F173-N177 PolarHBondContact O-N 3.33Å
174	S	97.9	Very high	96.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-55.4	-40	-174.7	70	0	0	0	0	113.8	S79 L80 R81 Q112 C176 N177 Y178	S79-S174 WeakPolarHBondContact O-CB 3.33Å; S79-S174 PolarHBondContact O-OG 3.14Å; L80-S174 WeakPolarHBondContact CA-OG 3.36Å; L80-S174 PolarHBondContact O-N 3.42Å; R81-S174 VanDerWaalsContact O-CB 3.29Å; R81-S174 WeakPolarHBondContact O-CB 3.48Å; Q112-S174 PolarHBondContact NE2-OG 2.88Å; Q112-S174 VanDerWaalsContact NE2-OG 3.15Å; S174-C176 VanDerWaalsContact C-N 3.26Å; S174-C176 PolarHBondContact O-N 3.09Å; S174-N177 VanDerWaalsContact O-CB 3.24Å; S174-N177 WeakPolarHBondContact O-CB 3.44Å; S174-N177 PolarHBondContact O-N 3.12Å; S174-Y178 WeakPolarHBondContact O-CD1 3.28Å; S174-Y178 WeakPolarHBondContact O-CE1 3.4Å
175	I	96.8	Very high	96.9	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-39.4	179.4	-63.8	159.8	0	0	0	111.3	L45 L80 Y148 L149 L152 F173 N177 Y178 W179	L45-I175 HydrophobicContact CD1-CD1 4.39Å; L45-I175 HydrophobicContact CD1-CG1 4.22Å; L45-I175 HydrophobicContact CD2-CD1 3.91Å; L45-I175 HydrophobicContact CD2-CG1 4.02Å; L80-I175 HydrophobicContact CD2-CD1 3.48Å; L80-I175 VanDerWaalsContact CD2-CD1 3.48Å; L80-I175 HydrophobicContact CD2-CG1 4.13Å; Y148-I175 HydrophobicContact CD2-CD1 4.26Å; Y148-I175 HydrophobicContact CE2-CD1 3.86Å; Y148-I175 HydrophobicContact CE2-CG1 4.18Å; Y148-I175 HydrophobicContact CE2-CG2 4.24Å; L149-I175 HydrophobicContact CD2-CG2 3.62Å; L152-I175 HydrophobicContact CD1-CD1 3.12Å; F173-I175 VanDerWaalsContact C-N 3.27Å; F173-I175 PolarHBondContact O-N 3.19Å; I175-N177 VanDerWaalsContact C-N 3.3Å; I175-N177 PolarHBondContact O-N 3.32Å; I175-Y178 PolarHBondContact O-N 3.26Å; I175-W179 PolarHBondContact O-N 3.39Å; I175-W179 VanDerWaalsContact O-N 3.09Å
176	C	97.5	Very high	96.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-75.5	-20	178.7	-70.2	0	0	0	0	113	C165 G170 Q171 F173 S174 Y178	C165-C176 WeakPolarHBondContact CA-SG 3.29Å; C165-C176 HydrophobicContact CB-CB 3.4Å; C165-C176 WeakPolarHBondContact CB-SG 3.2Å; C165-C176 WeakPolarHBondContact SG-CA 3.27Å; C165-C176 WeakPolarHBondContact SG-CB 3.48Å; C165-C176 CovalentContact SG-SG 2.06Å; C165-C176 PolarHBondContact SG-SG 3.23Å; G170-C176 WeakPolarHBondContact O-CB 3.16Å; Q171-C176 PolarHBondContact NE2-O 3.26Å; F173-C176 WeakPolarHBondContact O-CB 3.44Å; F173-C176 PolarHBondContact O-N 3.49Å; S174-C176 VanDerWaalsContact C-N 3.26Å; S174-C176 PolarHBondContact O-N 3.09Å; C176-Y178 PolarHBondContact O-N 2.98Å
177	N	98.5	Very high	96.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67	-20.2	173.4	-64.1	158.4	0	0	0	112.8	P82 L83 Q171 F173 S174 I175 S193 F194 L195	P82-N177 WeakPolarHBondContact CA-OD1 3.42Å; L83-N177 HydrophobicContact CB-CB 4.25Å; L83-N177 HydrophobicContact CD1-CB 3.93Å; L83-N177 HydrophobicContact CG-CB 4.1Å; L83-N177 PolarHBondContact N-OD1 3.38Å; Q171-N177 PolarHBondContact O-ND2 3.21Å; Q171-N177 PolarHBondContact OE1-ND2 2.97Å; Q171-N177 VanDerWaalsContact OE1-ND2 3.08Å; F173-N177 PolarHBondContact O-N 3.33Å; S174-N177 VanDerWaalsContact O-CB 3.24Å; S174-N177 WeakPolarHBondContact O-CB 3.44Å; S174-N177 PolarHBondContact O-N 3.12Å; I175-N177 VanDerWaalsContact C-N 3.3Å; I175-N177 PolarHBondContact O-N 3.32Å; N177-S193 PolarHBondContact ND2-OG 3.08Å; N177-F194 HydrophobicContact CB-CB 3.69Å; N177-F194 HydrophobicContact CB-CG 4.32Å; N177-L195 VanDerWaalsContact O-CB 3.28Å; N177-L195 WeakPolarHBondContact O-CB 3.28Å; N177-L195 PolarHBondContact O-N 3.35Å; N177-L195 VanDerWaalsContact O-N 3.12Å
178	Y	98.1	Very high	97	Very high	6 Å²	6	44.6 Å²	44.6	2%	0.024	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	16.2	176.2	61.3	-96.4	0	0	0	114.4	L83 Q112 L115 P138 G141 Q142 S174 I175 C176 H180	L83-Y178 HydrophobicContact CD1-CD1 3.66Å; L83-Y178 HydrophobicContact CD1-CE1 4.3Å; Q112-Y178 HydrophobicContact CG-CE1 3.93Å; L115-Y178 VanDerWaalsContact CD1-CB 3.49Å; L115-Y178 HydrophobicContact CD1-CD1 3.77Å; L115-Y178 HydrophobicContact CD1-CD2 4.32Å; L115-Y178 HydrophobicContact CD1-CG 3.61Å; P138-Y178 HydrophobicContact CG-CD2 4.14Å; P138-Y178 HydrophobicContact CG-CE2 4.21Å; G141-Y178 CarbonylContact C-O 3.55Å; G141-Y178 WeakPolarHBondContact CA-O 3.35Å; Q142-Y178 HydrophobicContact CB-CD2 4.06Å; Q142-Y178 HydrophobicContact CB-CE2 4.23Å; Q142-Y178 PolarHBondContact N-O 3.22Å; S174-Y178 WeakPolarHBondContact O-CD1 3.28Å; S174-Y178 WeakPolarHBondContact O-CE1 3.4Å; I175-Y178 PolarHBondContact O-N 3.26Å; C176-Y178 PolarHBondContact O-N 2.98Å; Y178-H180 PolarHBondContact O-N 3.05Å
179	W	98.1	Very high	97	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-70.3	118.1	167.6	-174.6	-102.5	0	0	0	109.6	Q142 Y143 L149 R158 L161 C165 Y166 I175	Q142-W179 HydrophobicContact CG-CE3 4.48Å; Q142-W179 HydrophobicContact CG-CZ3 4.24Å; Q142-W179 VanDerWaalsContact O-CE3 3.26Å; Y143-W179 AromaticContact CD2-CE2 3.78Å; Y143-W179 AromaticContact CD2-CH2 3.76Å; Y143-W179 HydrophobicContact CD2-CH2 3.76Å; Y143-W179 AromaticContact CD2-CZ2 3.24Å; Y143-W179 HydrophobicContact CD2-CZ2 3.24Å; Y143-W179 HydrophobicContact CE2-CH2 4.27Å; Y143-W179 AromaticContact CE2-CZ2 3.52Å; Y143-W179 HydrophobicContact CE2-CZ2 3.52Å; Y143-W179 HydrophobicContact CG-CH2 4.43Å; Y143-W179 HydrophobicContact CG-CZ2 4.29Å; L149-W179 HydrophobicContact CD1-CH2 4.38Å; L149-W179 HydrophobicContact CD1-CZ3 3.7Å; R158-W179 HydrophobicContact CB-CH2 3.88Å; R158-W179 HydrophobicContact CB-CZ2 4.18Å; R158-W179 WeakPolarHBondContact O-CZ2 3.47Å; L161-W179 HydrophobicContact CB-CD2 4.47Å; L161-W179 HydrophobicContact CB-CH2 4.5Å; L161-W179 HydrophobicContact CB-CZ2 3.89Å; L161-W179 HydrophobicContact CD1-CE3 4.39Å; L161-W179 HydrophobicContact CD1-CH2 3.7Å; L161-W179 HydrophobicContact CD1-CZ2 3.95Å; L161-W179 HydrophobicContact CD1-CZ3 3.93Å; L161-W179 HydrophobicContact CG-CZ2 4.47Å; C165-W179 HydrophobicContact CB-CB 4.04Å; C165-W179 HydrophobicContact CB-CG 4.18Å; Y166-W179 WeakPolarHBondContact CE1-O 3.41Å; Y166-W179 AromaticContact CZ-CD1 3.78Å; Y166-W179 PolarHBondContact OH-O 3.26Å; I175-W179 PolarHBondContact O-N 3.39Å; I175-W179 VanDerWaalsContact O-N 3.09Å
180	H	97.9	Very high	97	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.056	20%	0.199	C	C	.	.			trans	-121.9	89.4	-175.4	-174.4	-174.7	0	0	0	109.2	M140 Q142 Y143 Y178 P182 Y188 L195 F241	M140-H180 PolarHBondContact O-ND1 3.29Å; Q142-H180 PolarHBondContact O-N 3.19Å; Q142-H180 VanDerWaalsContact O-N 3.1Å; Y143-H180 WeakPolarHBondContact CB-O 3.41Å; Y178-H180 PolarHBondContact O-N 3.05Å; H180-P182 WeakPolarHBondContact O-CD 3.3Å; H180-Y188 HydrophobicContact CB-CE2 4.29Å; H180-Y188 AromaticContact CD2-CD1 3.65Å; H180-Y188 AromaticContact CD2-CE1 3.7Å; H180-Y188 AromaticContact CD2-CG 3.85Å; H180-Y188 AromaticContact CD2-CZ 3.93Å; H180-Y188 AromaticContact NE2-CD1 3.79Å; H180-Y188 AromaticContact NE2-CE1 3.64Å; H180-L195 HydrophobicContact CB-CD2 4.04Å; H180-F241 HydrophobicContact CB-CE1 3.81Å; H180-F241 HydrophobicContact CB-CE2 4.44Å; H180-F241 HydrophobicContact CB-CZ 3.66Å; H180-F241 AromaticContact CE1-CD1 3.58Å; H180-F241 AromaticContact CE1-CE1 3.81Å; H180-F241 AromaticContact CG-CD1 4Å; H180-F241 AromaticContact CG-CE1 3.43Å; H180-F241 VanDerWaalsContact CG-CE1 3.43Å; H180-F241 AromaticContact CG-CZ 3.82Å; H180-F241 AromaticContact ND1-CD1 3.38Å; H180-F241 WeakPolarHBondContact ND1-CD1 3.38Å; H180-F241 AromaticContact ND1-CE1 3.3Å; H180-F241 VanDerWaalsContact ND1-CE1 3.3Å; H180-F241 WeakPolarHBondContact ND1-CE1 3.43Å; H180-F241 AromaticContact ND1-CG 3.95Å; H180-F241 AromaticContact ND1-CZ 3.81Å; H180-F241 VanDerWaalsContact O-CE1 3.3Å; H180-F241 WeakPolarHBondContact O-CE1 3.36Å; H180-F241 VanDerWaalsContact O-CZ 3.28Å; H180-F241 WeakPolarHBondContact O-CZ 3.33Å
181	D	97.3	Very high	97	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.			trans	-84	110.4	-179.4	-173.1	-18.7	0	0	0	110.4	Y143 Y166 H183 H184	Y143-D181 HydrophobicContact CD2-CB 4.12Å; Y143-D181 HydrophobicContact CE2-CB 4Å; Y143-D181 WeakPolarHBondContact CE2-OD1 3.49Å; Y166-D181 HydrophobicContact CE2-CB 4.03Å; Y166-D181 WeakPolarHBondContact OH-CB 3.29Å; Y166-D181 PolarHBondContact OH-N 3.4Å; D181-H183 PolarHBondContact O-N 3.12Å; D181-H183 WeakPolarHBondContact OD1-CB 3.48Å; D181-H183 IonicContact OD1-CD2 2.71Å; D181-H183 IonicContact OD1-CG 3.43Å; D181-H183 PolarHBondContact OD1-N 2.97Å; D181-H184 HydrophobicContact CB-CB 4.39Å; D181-H184 PolarHBondContact O-N 3.46Å; D181-H184 IonicContact OD1-ND1 2.75Å; D181-H184 IonicContact OD2-CE1 3.08Å; D181-H184 IonicContact OD2-CG 3.33Å; D181-H184 IonicContact OD2-ND1 3.58Å; D181-H184 PolarHBondContact OD2-ND1 3.3Å
182	P	96.1	Very high	97	Very high	14 Å²	14	40.2 Å²	40.2	9%	0.091	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-12.6	-177.8	30.3	-35.6	0	0	0	113.4	Y143 H180 Y242 D243 E246	Y143-P182 HydrophobicContact CD1-CG 4.05Å; Y143-P182 HydrophobicContact CE1-CG 4.18Å; Y143-P182 HydrophobicContact CG-CG 4.43Å; H180-P182 WeakPolarHBondContact O-CD 3.3Å; P182-Y242 HydrophobicContact CG-CD2 4.48Å; P182-D243 WeakPolarHBondContact CB-O 3.3Å; P182-E246 HydrophobicContact CG-CG 4.34Å
183	H	96.8	Very high	96.9	Very high	90 Å²	90	36.3 Å²	36.3	42%	0.417	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-12.4	179.4	-57.6	-72.7	0	0	0	113.3	Y143 D181 A244 E246	Y143-H183 AromaticContact CZ-CD2 3.86Å; Y143-H183 PolarHBondContact OH-CD2 3.42Å; D181-H183 PolarHBondContact O-N 3.12Å; D181-H183 WeakPolarHBondContact OD1-CB 3.48Å; D181-H183 IonicContact OD1-CD2 2.71Å; D181-H183 IonicContact OD1-CG 3.43Å; D181-H183 PolarHBondContact OD1-N 2.97Å; H183-A244 PolarHBondContact CE1-O 2.87Å; H183-E246 IonicContact CD2-OE1 3.48Å; H183-E246 IonicContact CE1-OE1 2.87Å; H183-E246 IonicContact NE2-OE1 2.74Å; H183-E246 PolarHBondContact NE2-OE1 3.29Å
184	H	96.6	Very high	97	Very high	56 Å²	56	33.2 Å²	33.2	26%	0.259	18%	0.179	S	C	.	.			trans	-131.1	45.1	-177.8	-61.6	99.7	0	0	0	111	Y162 Y166 D181 D186 L187 Y188	Y162-H184 AromaticContact CD1-CE1 3.43Å; Y162-H184 VanDerWaalsContact CD1-CE1 3.43Å; Y162-H184 WeakPolarHBondContact CD1-CE1 3.15Å; Y162-H184 AromaticContact CD1-ND1 3.56Å; Y162-H184 AromaticContact CE1-CE1 3.34Å; Y162-H184 WeakPolarHBondContact CE1-CE1 3.43Å; Y162-H184 AromaticContact CE1-ND1 3.95Å; Y162-H184 AromaticContact CE1-NE2 3.62Å; Y162-H184 AromaticContact CG-CE1 4Å; Y162-H184 AromaticContact CG-ND1 3.78Å; Y162-H184 AromaticContact CZ-CE1 3.84Å; Y162-H184 AromaticContact CZ-NE2 3.62Å; Y166-H184 HydrophobicContact CE2-CB 4.4Å; D181-H184 HydrophobicContact CB-CB 4.39Å; D181-H184 PolarHBondContact O-N 3.46Å; D181-H184 IonicContact OD1-ND1 2.75Å; D181-H184 IonicContact OD2-CE1 3.08Å; D181-H184 IonicContact OD2-CG 3.33Å; D181-H184 IonicContact OD2-ND1 3.58Å; D181-H184 PolarHBondContact OD2-ND1 3.3Å; H184-D186 VanDerWaalsContact C-N 3.32Å; H184-D186 PolarHBondContact O-N 2.87Å; H184-L187 HydrophobicContact CB-CB 4.26Å; H184-L187 HydrophobicContact CB-CD1 4.17Å; H184-L187 HydrophobicContact CB-CG 4.45Å; H184-L187 WeakPolarHBondContact O-CA 3.34Å; H184-L187 WeakPolarHBondContact O-CB 3.38Å; H184-L187 PolarHBondContact O-N 2.64Å; H184-Y188 PolarHBondContact O-N 2.87Å
185	D	94.4	Very high	97	Very high	70 Å²	70	33.2 Å²	33.2	37%	0.374	18%	0.179	S	C	.	.	H	α-helix	trans	-55.2	-42.6	-174.9	-169.2	47.8	0	0	0	112.8	L187 Y188 L189	D185-L187 VanDerWaalsContact C-N 3.26Å; D185-L187 PolarHBondContact O-N 3.12Å; D185-Y188 WeakPolarHBondContact O-CB 3.38Å; D185-Y188 PolarHBondContact O-N 3.25Å; D185-Y188 VanDerWaalsContact O-N 3.09Å; D185-L189 WeakPolarHBondContact O-CB 3.16Å; D185-L189 WeakPolarHBondContact O-CG 3.31Å; D185-L189 PolarHBondContact O-N 3.29Å
186	D	95.9	Very high	97.1	Very high	137 Å²	137	33.1 Å²	33.1	73%	0.733	18%	0.178	S	C	*	.	H	α-helix	trans	-57.9	-38.5	175.6	-70.9	-27.5	0	0	0	112.6	H184 N190	H184-D186 VanDerWaalsContact C-N 3.32Å; H184-D186 PolarHBondContact O-N 2.87Å; D186-N190 WeakPolarHBondContact O-CB 3.35Å; D186-N190 PolarHBondContact O-N 3.36Å; D186-N190 VanDerWaalsContact O-N 3.13Å
187	L	97.1	Very high	97	Very high	73 Å²	73	34 Å²	34	38%	0.382	18%	0.183	S	C	.	.	H	α-helix	trans	-73.3	-40	176.4	-64.5	-179.5	0	0	0	111.1	Y162 Y166 H184 D185 N190 A191	Y162-L187 HydrophobicContact CD2-CD1 3.66Å; Y162-L187 HydrophobicContact CE2-CD1 3.99Å; Y166-L187 HydrophobicContact CD2-CB 3.48Å; Y166-L187 VanDerWaalsContact CD2-CB 3.48Å; Y166-L187 HydrophobicContact CD2-CD1 4.45Å; Y166-L187 HydrophobicContact CE2-CB 4.12Å; Y166-L187 HydrophobicContact CG-CB 4.17Å; H184-L187 HydrophobicContact CB-CB 4.26Å; H184-L187 HydrophobicContact CB-CD1 4.17Å; H184-L187 HydrophobicContact CB-CG 4.45Å; H184-L187 WeakPolarHBondContact O-CA 3.34Å; H184-L187 WeakPolarHBondContact O-CB 3.38Å; H184-L187 PolarHBondContact O-N 2.64Å; D185-L187 VanDerWaalsContact C-N 3.26Å; D185-L187 PolarHBondContact O-N 3.12Å; L187-N190 PolarHBondContact O-N 3.42Å; L187-A191 WeakPolarHBondContact O-CB 3.31Å; L187-A191 PolarHBondContact O-N 3.17Å
188	Y	97.5	Very high	97	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.5	-54.6	174.1	164.4	-111.3	0	0	0	111.3	Y166 H180 H184 D185 N190 A191 S192 L195 A196 E201	Y166-Y188 HydrophobicContact CE1-CD2 4.25Å; H180-Y188 HydrophobicContact CB-CE2 4.29Å; H180-Y188 AromaticContact CD2-CD1 3.65Å; H180-Y188 AromaticContact CD2-CE1 3.7Å; H180-Y188 AromaticContact CD2-CG 3.85Å; H180-Y188 AromaticContact CD2-CZ 3.93Å; H180-Y188 AromaticContact NE2-CD1 3.79Å; H180-Y188 AromaticContact NE2-CE1 3.64Å; H184-Y188 PolarHBondContact O-N 2.87Å; D185-Y188 WeakPolarHBondContact O-CB 3.38Å; D185-Y188 PolarHBondContact O-N 3.25Å; D185-Y188 VanDerWaalsContact O-N 3.09Å; Y188-N190 VanDerWaalsContact C-N 3.29Å; Y188-N190 PolarHBondContact O-N 3.02Å; Y188-A191 PolarHBondContact O-N 3.03Å; Y188-S192 WeakPolarHBondContact O-CB 3.34Å; Y188-S192 PolarHBondContact O-N 3.45Å; Y188-L195 HydrophobicContact CE2-CB 4.28Å; Y188-L195 HydrophobicContact CE2-CD2 4.03Å; Y188-L195 HydrophobicContact CE2-CG 4.43Å; Y188-L195 WeakPolarHBondContact OH-CG 3.47Å; Y188-A196 HydrophobicContact CE1-CB 4.15Å; Y188-A196 HydrophobicContact CE2-CB 4.26Å; Y188-A196 WeakPolarHBondContact OH-CA 3.46Å; Y188-A196 PolarHBondContact OH-N 3.25Å; Y188-E201 WeakPolarHBondContact CE1-OE2 3.32Å; Y188-E201 PolarHBondContact OH-OE2 2.81Å
189	L	96.4	Very high	97	Very high	50 Å²	50	33.9 Å²	33.9	26%	0.262	18%	0.182	S	C	.	.	H	α-helix	trans	-61.2	-37.9	-178.8	-67.3	176.2	0	0	0	111.9	D185 E201 R202	D185-L189 WeakPolarHBondContact O-CB 3.16Å; D185-L189 WeakPolarHBondContact O-CG 3.31Å; D185-L189 PolarHBondContact O-N 3.29Å; L189-E201 HydrophobicContact CD2-CB 3.64Å; L189-R202 WeakPolarHBondContact O-CD 3.14Å
190	N	96.1	Very high	97	Very high	125 Å²	125	35.1 Å²	35.1	67%	0.668	20%	0.195	S	C	*	.	H	α-helix	trans	-78.4	-40.4	-179.2	-168.3	34.1	0	0	0	112.9	D186 L187 Y188 R202	D186-N190 WeakPolarHBondContact O-CB 3.35Å; D186-N190 PolarHBondContact O-N 3.36Å; D186-N190 VanDerWaalsContact O-N 3.13Å; L187-N190 PolarHBondContact O-N 3.42Å; Y188-N190 VanDerWaalsContact C-N 3.29Å; Y188-N190 PolarHBondContact O-N 3.02Å; N190-R202 PolarHBondContact O-NH1 2.99Å
191	A	96.4	Very high	96.9	Very high	27 Å²	27	36.9 Å²	36.9	22%	0.223	20%	0.203	C	C	.	.	H	α-helix	trans	-98.1	-27.6	-170.1	0	0	0	0	0	114.6	Y166 Q171 L187 Y188 S193	Y166-A191 HydrophobicContact CD1-CB 4.08Å; Y166-A191 HydrophobicContact CG-CB 4.07Å; Y166-A191 WeakPolarHBondContact O-CB 3.04Å; Q171-A191 WeakPolarHBondContact CG-O 3.42Å; L187-A191 WeakPolarHBondContact O-CB 3.31Å; L187-A191 PolarHBondContact O-N 3.17Å; Y188-A191 PolarHBondContact O-N 3.03Å; A191-S193 PolarHBondContact O-N 2.82Å
192	S	96.9	Very high	96.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.			trans	-60.2	115.1	-178.4	-179.1	0	0	0	0	110.2	Y188 F194 L195 A196 R202	Y188-S192 WeakPolarHBondContact O-CB 3.34Å; Y188-S192 PolarHBondContact O-N 3.45Å; S192-F194 VanDerWaalsContact C-N 3.3Å; S192-L195 PolarHBondContact OG-N 2.88Å; S192-A196 PolarHBondContact OG-N 2.76Å; S192-R202 PolarHBondContact O-NH1 3.15Å; S192-R202 PolarHBondContact O-NH2 2.95Å
193	S	95.5	Very high	96.4	Very high	36 Å²	36	47.4 Å²	47.4	25%	0.252	25%	0.253	S	S	.	.	S	Bend	trans	-82.7	-12.5	-179.3	71.3	0	0	0	0	112	W84 Q171 N177 A191 L197	W84-S193 PolarHBondContact NE1-O 2.66Å; Q171-S193 PolarHBondContact OE1-OG 3.29Å; N177-S193 PolarHBondContact ND2-OG 3.08Å; A191-S193 PolarHBondContact O-N 2.82Å; S193-L197 WeakPolarHBondContact O-CD1 3.38Å
194	F	98.4	Very high	96.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-129.9	-69.2	-171.1	-172.9	-90.7	0	0	0	112.8	L83 W84 V87 L115 A119 N177 S192 A196 L197 I198	L83-F194 HydrophobicContact CB-CD1 4.11Å; L83-F194 HydrophobicContact CB-CD2 3.42Å; L83-F194 VanDerWaalsContact CB-CD2 3.42Å; L83-F194 HydrophobicContact CB-CE1 4.14Å; L83-F194 HydrophobicContact CB-CE2 3.46Å; L83-F194 VanDerWaalsContact CB-CE2 3.46Å; L83-F194 HydrophobicContact CB-CG 3.76Å; L83-F194 HydrophobicContact CB-CZ 3.82Å; L83-F194 HydrophobicContact CD1-CD1 3.42Å; L83-F194 VanDerWaalsContact CD1-CD1 3.42Å; L83-F194 HydrophobicContact CD1-CD2 4.31Å; L83-F194 HydrophobicContact CD1-CE1 3.41Å; L83-F194 VanDerWaalsContact CD1-CE1 3.41Å; L83-F194 HydrophobicContact CD1-CE2 4.31Å; L83-F194 HydrophobicContact CD1-CG 3.9Å; L83-F194 HydrophobicContact CD1-CZ 3.86Å; L83-F194 HydrophobicContact CG-CD1 4.42Å; L83-F194 HydrophobicContact CG-CE1 4.39Å; L83-F194 HydrophobicContact CG-CE2 4.5Å; L83-F194 HydrophobicContact CG-CG 4.49Å; L83-F194 HydrophobicContact CG-CZ 4.42Å; W84-F194 AromaticContact CD1-CD2 3.86Å; W84-F194 AromaticContact CD2-CD2 3.68Å; W84-F194 HydrophobicContact CD2-CD2 3.68Å; W84-F194 AromaticContact CD2-CE2 3.97Å; W84-F194 HydrophobicContact CD2-CE2 3.97Å; W84-F194 AromaticContact CE2-CD2 3.52Å; W84-F194 HydrophobicContact CE3-CD2 4.27Å; W84-F194 HydrophobicContact CE3-CE2 4.09Å; W84-F194 AromaticContact CG-CD2 3.91Å; W84-F194 HydrophobicContact CG-CD2 3.91Å; W84-F194 HydrophobicContact CG-CE2 4.45Å; W84-F194 HydrophobicContact CH2-CE2 4.48Å; W84-F194 AromaticContact CZ2-CD2 4Å; W84-F194 HydrophobicContact CZ2-CD2 4Å; W84-F194 HydrophobicContact CZ2-CE2 4.36Å; W84-F194 HydrophobicContact CZ3-CE2 4.34Å; W84-F194 AromaticContact NE1-CD2 3.63Å; V87-F194 HydrophobicContact CG2-CE2 3.93Å; V87-F194 HydrophobicContact CG2-CZ 4.27Å; L115-F194 HydrophobicContact CB-CE1 4.05Å; A119-F194 HydrophobicContact CB-CE1 4.48Å; A119-F194 HydrophobicContact CB-CE2 3.79Å; A119-F194 HydrophobicContact CB-CZ 3.47Å; A119-F194 VanDerWaalsContact CB-CZ 3.47Å; N177-F194 HydrophobicContact CB-CB 3.69Å; N177-F194 HydrophobicContact CB-CG 4.32Å; S192-F194 VanDerWaalsContact C-N 3.3Å; F194-A196 PolarHBondContact O-N 3.47Å; F194-L197 WeakPolarHBondContact O-CB 3.33Å; F194-L197 PolarHBondContact O-N 3.49Å; F194-I198 HydrophobicContact CD1-CD1 3.89Å; F194-I198 HydrophobicContact CD1-CG1 4.32Å; F194-I198 HydrophobicContact CE1-CD1 3.28Å; F194-I198 HydrophobicContact CE1-CG1 4.16Å; F194-I198 HydrophobicContact CZ-CD1 3.84Å; F194-I198 PolarHBondContact O-N 3.47Å
195	L	98.6	Very high	96.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-48.2	-169.3	-174.7	68.8	0	0	0	112.1	L115 G141 N177 H180 Y188 S192 L197 I198 N199	L115-L195 HydrophobicContact CD2-CD1 3.91Å; G141-L195 VanDerWaalsContact CA-CD2 3.45Å; N177-L195 VanDerWaalsContact O-CB 3.28Å; N177-L195 WeakPolarHBondContact O-CB 3.28Å; N177-L195 PolarHBondContact O-N 3.35Å; N177-L195 VanDerWaalsContact O-N 3.12Å; H180-L195 HydrophobicContact CB-CD2 4.04Å; Y188-L195 HydrophobicContact CE2-CB 4.28Å; Y188-L195 HydrophobicContact CE2-CD2 4.03Å; Y188-L195 HydrophobicContact CE2-CG 4.43Å; Y188-L195 WeakPolarHBondContact OH-CG 3.47Å; S192-L195 PolarHBondContact OG-N 2.88Å; L195-L197 PolarHBondContact O-N 2.98Å; L195-I198 WeakPolarHBondContact O-CG1 3.37Å; L195-I198 PolarHBondContact O-N 3.04Å; L195-N199 VanDerWaalsContact O-CB 3.27Å; L195-N199 WeakPolarHBondContact O-CB 3.37Å; L195-N199 VanDerWaalsContact O-CG 3.24Å; L195-N199 PolarHBondContact O-N 3.44Å
196	A	97.9	Very high	96.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-30.1	178.4	0	0	0	0	0	112.8	Y188 S192 F194 G200 E201 R202	Y188-A196 HydrophobicContact CE1-CB 4.15Å; Y188-A196 HydrophobicContact CE2-CB 4.26Å; Y188-A196 WeakPolarHBondContact OH-CA 3.46Å; Y188-A196 PolarHBondContact OH-N 3.25Å; S192-A196 PolarHBondContact OG-N 2.76Å; F194-A196 PolarHBondContact O-N 3.47Å; A196-G200 PolarHBondContact O-N 3Å; A196-E201 HydrophobicContact CB-CB 4.45Å; A196-E201 PolarHBondContact O-N 3.09Å; A196-R202 PolarHBondContact O-N 3.24Å
197	L	97.2	Very high	96.2	Very high	18 Å²	18	44.2 Å²	44.2	9%	0.094	25%	0.251	C	S	.	.	H	α-helix	trans	-73.2	-50.5	176	-70.7	-175	0	0	0	111.8	W84 S193 F194 L195 N199 G200 R202 H204 W210	W84-L197 HydrophobicContact CZ2-CB 4.41Å; W84-L197 HydrophobicContact CZ2-CD1 4.29Å; S193-L197 WeakPolarHBondContact O-CD1 3.38Å; F194-L197 WeakPolarHBondContact O-CB 3.33Å; F194-L197 PolarHBondContact O-N 3.49Å; L195-L197 PolarHBondContact O-N 2.98Å; L197-N199 PolarHBondContact O-N 2.86Å; L197-G200 PolarHBondContact O-N 2.84Å; L197-R202 HydrophobicContact CD2-CB 4.28Å; L197-R202 HydrophobicContact CD2-CG 4.49Å; L197-R202 VanDerWaalsContact CD2-NE 3.34Å; L197-R202 VanDerWaalsContact CD2-NH2 3.32Å; L197-R202 VanDerWaalsContact CG-NH2 3.29Å; L197-H204 HydrophobicContact CD2-CB 4.22Å; L197-W210 HydrophobicContact CB-CZ3 4.23Å
198	I	97.9	Very high	96.2	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-74.1	-17.5	-176.7	65.1	165.7	0	0	0	112.6	W84 L115 R118 A119 F194 L195 G200	W84-I198 HydrophobicContact CH2-CG2 3.55Å; W84-I198 HydrophobicContact CZ2-CG2 3.8Å; L115-I198 HydrophobicContact CD2-CD1 4.33Å; R118-I198 PolarHBondContact NH1-O 3.11Å; A119-I198 HydrophobicContact CB-CD1 4.31Å; A119-I198 HydrophobicContact CB-CG2 3.96Å; F194-I198 HydrophobicContact CD1-CD1 3.89Å; F194-I198 HydrophobicContact CD1-CG1 4.32Å; F194-I198 HydrophobicContact CE1-CD1 3.28Å; F194-I198 HydrophobicContact CE1-CG1 4.16Å; F194-I198 HydrophobicContact CZ-CD1 3.84Å; F194-I198 PolarHBondContact O-N 3.47Å; L195-I198 WeakPolarHBondContact O-CG1 3.37Å; L195-I198 PolarHBondContact O-N 3.04Å; I198-G200 VanDerWaalsContact C-N 3.33Å
199	N	98.4	Very high	96.2	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-8.7	169.5	-72.6	-1.1	0	0	0	113.3	R118 L195 L197 E201 V256 S261 F262	R118-N199 PolarHBondContact NH1-OD1 3.46Å; R118-N199 PolarHBondContact NH2-OD1 3.31Å; L195-N199 VanDerWaalsContact O-CB 3.27Å; L195-N199 WeakPolarHBondContact O-CB 3.37Å; L195-N199 VanDerWaalsContact O-CG 3.24Å; L195-N199 PolarHBondContact O-N 3.44Å; L197-N199 PolarHBondContact O-N 2.86Å; N199-E201 HydrophobicContact CB-CG 3.73Å; N199-E201 VanDerWaalsContact CB-OE2 3.25Å; N199-E201 WeakPolarHBondContact CB-OE2 3.49Å; N199-E201 PolarHBondContact ND2-OE2 2.84Å; N199-E201 VanDerWaalsContact ND2-OE2 3.12Å; N199-E201 PolarHBondContact O-N 3.2Å; N199-V256 HydrophobicContact CB-CG1 4.08Å; N199-S261 VanDerWaalsContact O-CB 3.26Å; N199-S261 WeakPolarHBondContact O-CB 3.16Å; N199-F262 WeakPolarHBondContact O-CD1 3.41Å
200	G	96.8	Very high	96.3	Very high	26 Å²	26	49 Å²	49	27%	0.268	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	31.3	-174.5	0	0	0	0	0	112.8	A196 L197 I198	A196-G200 PolarHBondContact O-N 3Å; L197-G200 PolarHBondContact O-N 2.84Å; I198-G200 VanDerWaalsContact C-N 3.33Å
201	E	96.2	Very high	96.4	Very high	48 Å²	48	46.8 Å²	46.8	22%	0.224	26%	0.264	C	S	.	.			trans	-85.2	-30.5	176.1	-66.2	170.5	130.8	0	0	110.8	Y188 L189 A196 N199 V256	Y188-E201 WeakPolarHBondContact CE1-OE2 3.32Å; Y188-E201 PolarHBondContact OH-OE2 2.81Å; L189-E201 HydrophobicContact CD2-CB 3.64Å; A196-E201 HydrophobicContact CB-CB 4.45Å; A196-E201 PolarHBondContact O-N 3.09Å; N199-E201 HydrophobicContact CB-CG 3.73Å; N199-E201 VanDerWaalsContact CB-OE2 3.25Å; N199-E201 WeakPolarHBondContact CB-OE2 3.49Å; N199-E201 PolarHBondContact ND2-OE2 2.84Å; N199-E201 VanDerWaalsContact ND2-OE2 3.12Å; N199-E201 PolarHBondContact O-N 3.2Å; E201-V256 HydrophobicContact CG-CG1 3.64Å
202	R	93.4	Very high	96.5	Very high	74 Å²	74	52.7 Å²	52.7	28%	0.279	29%	0.285	S	S	.	.	S	Bend	trans	-107.6	138.9	169.3	-174.7	173.3	67.2	-158.4	-4.2	111	L189 N190 S192 A196 L197 H204	L189-R202 WeakPolarHBondContact O-CD 3.14Å; N190-R202 PolarHBondContact O-NH1 2.99Å; S192-R202 PolarHBondContact O-NH1 3.15Å; S192-R202 PolarHBondContact O-NH2 2.95Å; A196-R202 PolarHBondContact O-N 3.24Å; L197-R202 HydrophobicContact CD2-CB 4.28Å; L197-R202 HydrophobicContact CD2-CG 4.49Å; L197-R202 VanDerWaalsContact CD2-NE 3.34Å; L197-R202 VanDerWaalsContact CD2-NH2 3.32Å; L197-R202 VanDerWaalsContact CG-NH2 3.29Å; R202-H204 PolarHBondContact O-N 3.17Å
203	D	89	Confident	96.6	Very high	162 Å²	162	53 Å²	53	87%	0.866	29%	0.286	S	S	*	.			trans	-57.1	133.4	175.7	-71.6	-27.2	0	0	0	111.5
204	H	93.5	Very high	96.8	Very high	56 Å²	56	51.3 Å²	51.3	26%	0.259	27%	0.274	S	S	.	.			trans	-144.8	135	176.1	-170.6	-92.8	0	0	0	109.5	L197 R202 N206 A207 W210	L197-H204 HydrophobicContact CD2-CB 4.22Å; R202-H204 PolarHBondContact O-N 3.17Å; H204-N206 PolarHBondContact ND1-N 3.5Å; H204-N206 VanDerWaalsContact ND1-N 3.16Å; H204-N206 PolarHBondContact O-N 3.42Å; H204-N206 VanDerWaalsContact O-N 3.07Å; H204-A207 HydrophobicContact CB-CB 4.44Å; H204-A207 VanDerWaalsContact O-CB 3.25Å; H204-A207 WeakPolarHBondContact O-CB 3.17Å; H204-A207 PolarHBondContact O-N 3.36Å; H204-W210 HydrophobicContact CB-CZ3 4.36Å; H204-W210 AromaticContact CE1-CH2 3.29Å; H204-W210 WeakPolarHBondContact CE1-CH2 3.37Å; H204-W210 AromaticContact CE1-CZ2 3.38Å; H204-W210 WeakPolarHBondContact CE1-CZ2 3.4Å; H204-W210 AromaticContact CG-CH2 3.83Å; H204-W210 AromaticContact CG-CZ3 3.88Å; H204-W210 AromaticContact ND1-CH2 3.35Å; H204-W210 VanDerWaalsContact ND1-CH2 3.35Å; H204-W210 WeakPolarHBondContact ND1-CH2 3.45Å; H204-W210 AromaticContact ND1-CZ2 3.66Å; H204-W210 AromaticContact ND1-CZ3 3.61Å; H204-W210 AromaticContact NE2-CH2 3.73Å
205	P	96.1	Very high	96.8	Very high	118 Å²	118	52.5 Å²	52.5	77%	0.766	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.6	-176.4	22.3	-34.3	0	0	0	113.3
206	N	96.2	Very high	96.8	Very high	79 Å²	79	58.6 Å²	58.6	42%	0.422	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1.1	179.2	-59.5	-24.2	0	0	0	114.2	H204 T208 V209 W210	H204-N206 PolarHBondContact ND1-N 3.5Å; H204-N206 VanDerWaalsContact ND1-N 3.16Å; H204-N206 PolarHBondContact O-N 3.42Å; H204-N206 VanDerWaalsContact O-N 3.07Å; N206-T208 VanDerWaalsContact C-N 3.27Å; N206-T208 PolarHBondContact O-N 3.39Å; N206-V209 PolarHBondContact O-N 2.89Å; N206-W210 HydrophobicContact CB-CD2 4.17Å; N206-W210 HydrophobicContact CB-CG 4.35Å; N206-W210 HydrophobicContact CB-CZ2 4.16Å; N206-W210 PolarHBondContact O-N 3.38Å
207	A	95.2	Very high	96.8	Very high	33 Å²	33	58.6 Å²	58.6	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-55.2	-40.7	-173.5	0	0	0	0	0	112.9	H204 V209 W210 R211	H204-A207 HydrophobicContact CB-CB 4.44Å; H204-A207 VanDerWaalsContact O-CB 3.25Å; H204-A207 WeakPolarHBondContact O-CB 3.17Å; H204-A207 PolarHBondContact O-N 3.36Å; A207-V209 PolarHBondContact O-N 3.35Å; A207-W210 PolarHBondContact O-N 2.56Å; A207-R211 WeakPolarHBondContact O-CB 3.48Å; A207-R211 PolarHBondContact O-N 3.48Å
208	T	96.7	Very high	96.9	Very high	119 Å²	119	58.9 Å²	58.9	73%	0.73	31%	0.311	S	S	*	.	H	α-helix	trans	-63.9	-41.2	176.6	-52.3	0	0	0	0	112.6	N206 K212	N206-T208 VanDerWaalsContact C-N 3.27Å; N206-T208 PolarHBondContact O-N 3.39Å; T208-K212 WeakPolarHBondContact O-CB 3.38Å; T208-K212 PolarHBondContact O-N 3.33Å
209	V	98.2	Very high	96.9	Very high	75 Å²	75	61.8 Å²	61.8	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-67.8	-44.1	177.2	176.1	0	0	0	0	109.9	N206 A207 R211 K212 N213	N206-V209 PolarHBondContact O-N 2.89Å; A207-V209 PolarHBondContact O-N 3.35Å; V209-R211 PolarHBondContact O-N 3.3Å; V209-K212 WeakPolarHBondContact O-CB 3.29Å; V209-K212 PolarHBondContact O-N 3.32Å; V209-K212 VanDerWaalsContact O-N 3.14Å; V209-N213 WeakPolarHBondContact O-CB 3.24Å; V209-N213 PolarHBondContact O-N 3.42Å; V209-N213 PolarHBondContact O-ND2 3.46Å; V209-N213 PolarHBondContact O-OD1 3Å
210	W	98.3	Very high	96.9	Very high	28 Å²	28	61.8 Å²	61.8	11%	0.106	32%	0.324	C	S	.	.	H	α-helix	trans	-59.5	-45.6	177.8	-70	-6.4	0	0	0	112.9	W84 S122 V123 L197 H204 N206 A207 K212 N213 F214	W84-W210 HydrophobicContact CH2-CH2 4.02Å; W84-W210 HydrophobicContact CH2-CZ2 4.37Å; W84-W210 HydrophobicContact CH2-CZ3 4.49Å; W84-W210 HydrophobicContact CZ2-CH2 4.25Å; S122-W210 VanDerWaalsContact O-CA 3.29Å; S122-W210 WeakPolarHBondContact O-CA 3.4Å; S122-W210 VanDerWaalsContact O-CD1 3.3Å; V123-W210 HydrophobicContact CG1-CZ2 4.29Å; L197-W210 HydrophobicContact CB-CZ3 4.23Å; H204-W210 HydrophobicContact CB-CZ3 4.36Å; H204-W210 AromaticContact CE1-CH2 3.29Å; H204-W210 WeakPolarHBondContact CE1-CH2 3.37Å; H204-W210 AromaticContact CE1-CZ2 3.38Å; H204-W210 WeakPolarHBondContact CE1-CZ2 3.4Å; H204-W210 AromaticContact CG-CH2 3.83Å; H204-W210 AromaticContact CG-CZ3 3.88Å; H204-W210 AromaticContact ND1-CH2 3.35Å; H204-W210 VanDerWaalsContact ND1-CH2 3.35Å; H204-W210 WeakPolarHBondContact ND1-CH2 3.45Å; H204-W210 AromaticContact ND1-CZ2 3.66Å; H204-W210 AromaticContact ND1-CZ3 3.61Å; H204-W210 AromaticContact NE2-CH2 3.73Å; N206-W210 HydrophobicContact CB-CD2 4.17Å; N206-W210 HydrophobicContact CB-CG 4.35Å; N206-W210 HydrophobicContact CB-CZ2 4.16Å; N206-W210 PolarHBondContact O-N 3.38Å; A207-W210 PolarHBondContact O-N 2.56Å; W210-K212 PolarHBondContact O-N 3.27Å; W210-N213 PolarHBondContact O-N 3.22Å; W210-F214 WeakPolarHBondContact O-CB 3.36Å; W210-F214 PolarHBondContact O-N 3.13Å
211	R	98.3	Very high	97	Very high	79 Å²	79	60.5 Å²	60.5	30%	0.298	31%	0.312	S	S	.	.	H	α-helix	trans	-58.4	-48	172.4	177.6	174.5	-179.7	-70.1	-3.3	111.7	A207 V209 N213 F214 L215 D260 T266	A207-R211 WeakPolarHBondContact O-CB 3.48Å; A207-R211 PolarHBondContact O-N 3.48Å; V209-R211 PolarHBondContact O-N 3.3Å; R211-N213 VanDerWaalsContact C-N 3.27Å; R211-N213 PolarHBondContact O-N 2.99Å; R211-F214 PolarHBondContact O-N 2.67Å; R211-L215 HydrophobicContact CG-CD1 4.1Å; R211-L215 WeakPolarHBondContact O-CB 3.24Å; R211-L215 VanDerWaalsContact O-CG 3.27Å; R211-L215 WeakPolarHBondContact O-CG 3.19Å; R211-L215 PolarHBondContact O-N 3.05Å; R211-L215 VanDerWaalsContact O-N 3.08Å; R211-D260 IonicContact CZ-OD2 3.63Å; R211-D260 PolarHBondContact NE-O 3.46Å; R211-D260 VanDerWaalsContact NE-O 3.15Å; R211-D260 IonicContact NE-OD2 3.42Å; R211-D260 IonicContact NH2-OD2 2.87Å; R211-D260 PolarHBondContact NH2-OD2 3.01Å; R211-T266 PolarHBondContact NH2-OG1 2.84Å; R211-T266 VanDerWaalsContact NH2-OG1 3.14Å
212	K	98.6	Very high	97.2	Very high	152 Å²	152	58.2 Å²	58.2	66%	0.661	30%	0.301	S	S	*	.	H	α-helix	trans	-57.9	-42.7	178.7	179.7	-172.6	174.4	-170.2	0	111.4	T208 V209 W210	T208-K212 WeakPolarHBondContact O-CB 3.38Å; T208-K212 PolarHBondContact O-N 3.33Å; V209-K212 WeakPolarHBondContact O-CB 3.29Å; V209-K212 PolarHBondContact O-N 3.32Å; V209-K212 VanDerWaalsContact O-N 3.14Å; W210-K212 PolarHBondContact O-N 3.27Å
213	N	98.8	Very high	97.4	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-68	-48.5	-179.4	-69.2	-5.9	0	0	0	111.6	L121 S122 M124 D125 H127 V209 W210 R211 L215 R216	L121-N213 CarbonylContact O-C 3.56Å; L121-N213 VanDerWaalsContact O-C 3.3Å; L121-N213 WeakPolarHBondContact O-CB 3.21Å; S122-N213 WeakPolarHBondContact O-CB 3.44Å; S122-N213 PolarHBondContact O-ND2 3.06Å; M124-N213 WeakPolarHBondContact O-CB 3.47Å; M124-N213 PolarHBondContact O-ND2 2.89Å; D125-N213 WeakPolarHBondContact CA-OD1 3.4Å; H127-N213 PolarHBondContact NE2-O 3.35Å; V209-N213 WeakPolarHBondContact O-CB 3.24Å; V209-N213 PolarHBondContact O-N 3.42Å; V209-N213 PolarHBondContact O-ND2 3.46Å; V209-N213 PolarHBondContact O-OD1 3Å; W210-N213 PolarHBondContact O-N 3.22Å; R211-N213 VanDerWaalsContact C-N 3.27Å; R211-N213 PolarHBondContact O-N 2.99Å; N213-L215 VanDerWaalsContact C-N 3.26Å; N213-L215 PolarHBondContact O-N 2.92Å; N213-R216 VanDerWaalsContact O-CB 3.23Å; N213-R216 WeakPolarHBondContact O-CB 3.48Å; N213-R216 VanDerWaalsContact O-CG 3.28Å; N213-R216 WeakPolarHBondContact O-CG 3.15Å; N213-R216 PolarHBondContact O-N 2.73Å
214	F	98.8	Very high	97.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59	-39.2	178.7	-175.3	-112.6	0	0	0	111.8	R118 L121 F132 W210 R211 R216 V217 L220 F262 L267	R118-F214 HydrophobicContact CG-CD2 4.33Å; R118-F214 HydrophobicContact CG-CE2 3.82Å; R118-F214 HydrophobicContact CG-CZ 4.29Å; L121-F214 HydrophobicContact CB-CD2 4.05Å; L121-F214 PolarHBondContact O-N 2.75Å; F132-F214 HydrophobicContact CD1-CE2 4.42Å; W210-F214 WeakPolarHBondContact O-CB 3.36Å; W210-F214 PolarHBondContact O-N 3.13Å; R211-F214 PolarHBondContact O-N 2.67Å; F214-R216 PolarHBondContact O-N 2.97Å; F214-V217 VanDerWaalsContact O-CG1 3.28Å; F214-V217 WeakPolarHBondContact O-CG1 3.06Å; F214-V217 PolarHBondContact O-N 3.47Å; F214-V217 VanDerWaalsContact O-N 3.13Å; F214-L220 HydrophobicContact CZ-CD2 4.1Å; F214-F262 AromaticContact CD1-CD2 3.88Å; F214-F262 HydrophobicContact CD1-CD2 3.88Å; F214-F262 WeakPolarHBondContact CD1-O 3.39Å; F214-F262 AromaticContact CE1-CD2 3.81Å; F214-F262 HydrophobicContact CE1-CD2 3.81Å; F214-F262 AromaticContact CE1-CE2 4Å; F214-F262 HydrophobicContact CE1-CE2 4Å; F214-L267 HydrophobicContact CD1-CD1 4.11Å; F214-L267 HydrophobicContact CE1-CD1 3.49Å; F214-L267 VanDerWaalsContact CE1-CD1 3.49Å; F214-L267 HydrophobicContact CZ-CD1 4.14Å
215	L	98.8	Very high	98.1	Very high	25 Å²	25	44.3 Å²	44.3	13%	0.131	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-7.5	177	-74.4	176.2	0	0	0	115.3	R211 N213 V217 T266 L267 R270	R211-L215 HydrophobicContact CG-CD1 4.1Å; R211-L215 WeakPolarHBondContact O-CB 3.24Å; R211-L215 VanDerWaalsContact O-CG 3.27Å; R211-L215 WeakPolarHBondContact O-CG 3.19Å; R211-L215 PolarHBondContact O-N 3.05Å; R211-L215 VanDerWaalsContact O-N 3.08Å; N213-L215 VanDerWaalsContact C-N 3.26Å; N213-L215 PolarHBondContact O-N 2.92Å; L215-V217 VanDerWaalsContact C-N 3.3Å; L215-T266 HydrophobicContact CD1-CG2 4.2Å; L215-T266 HydrophobicContact CD2-CG2 3.68Å; L215-L267 HydrophobicContact CD2-CD2 3.76Å; L215-L267 HydrophobicContact CD2-CG 3.82Å; L215-R270 PolarHBondContact O-NH1 3.24Å; L215-R270 PolarHBondContact O-NH2 2.91Å
216	R	98.4	Very high	98.2	Very high	127 Å²	127	42 Å²	42	48%	0.479	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-19.9	173.3	-60.3	169.4	59.9	80.7	2.1	113.1	D125 H127 N213 F214 G218	D125-R216 PolarHBondContact O-NE 3.46Å; H127-R216 PolarHBondContact O-NE 3.01Å; H127-R216 VanDerWaalsContact O-NE 3.07Å; H127-R216 PolarHBondContact O-NH2 3.21Å; N213-R216 VanDerWaalsContact O-CB 3.23Å; N213-R216 WeakPolarHBondContact O-CB 3.48Å; N213-R216 VanDerWaalsContact O-CG 3.28Å; N213-R216 WeakPolarHBondContact O-CG 3.15Å; N213-R216 PolarHBondContact O-N 2.73Å; F214-R216 PolarHBondContact O-N 2.97Å; R216-G218 PolarHBondContact O-N 3.49Å
217	V	98.5	Very high	98.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.			trans	-57.1	132.3	-179.8	70.9	0	0	0	0	110.4	L121 V129 F132 F214 L215 H219 L267 R270	L121-V217 HydrophobicContact CD1-CG2 4.38Å; V129-V217 HydrophobicContact CG1-CG2 4.06Å; F132-V217 HydrophobicContact CB-CG2 3.74Å; F214-V217 VanDerWaalsContact O-CG1 3.28Å; F214-V217 WeakPolarHBondContact O-CG1 3.06Å; F214-V217 PolarHBondContact O-N 3.47Å; F214-V217 VanDerWaalsContact O-N 3.13Å; L215-V217 VanDerWaalsContact C-N 3.3Å; V217-H219 WeakPolarHBondContact CG2-O 3.07Å; V217-L267 HydrophobicContact CG1-CD1 4.16Å; V217-L267 HydrophobicContact CG1-CD2 4.06Å; V217-R270 PolarHBondContact O-NH2 3.1Å
218	G	98.3	Very high	98.4	Very high	25 Å²	25	41 Å²	41	26%	0.258	21%	0.209	S	C	.	.	S	Bend	trans	-63	-58.7	177.4	0	0	0	0	0	111.3	V129 D130 R216 A272	V129-G218 PolarHBondContact O-N 3.13Å; V129-G218 VanDerWaalsContact O-N 3.09Å; D130-G218 CarbonylContact O-C 3.59Å; D130-G218 WeakPolarHBondContact O-CA 2.99Å; D130-G218 PolarHBondContact O-N 3.45Å; D130-G218 VanDerWaalsContact O-N 3.17Å; R216-G218 PolarHBondContact O-N 3.49Å; G218-A272 VanDerWaalsContact O-CB 3.29Å; G218-A272 WeakPolarHBondContact O-CB 3.18Å
219	H	98.6	Very high	98.2	Very high	64 Å²	64	38.4 Å²	38.4	30%	0.296	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	138.8	-178.4	-63.2	-83	0	0	0	111.5	D130 F132 V217 A272 W300	D130-H219 PolarHBondContact O-N 3.14Å; F132-H219 PolarHBondContact N-O 3.33Å; V217-H219 WeakPolarHBondContact CG2-O 3.07Å; H219-A272 CarbonylContact C-O 3.42Å; H219-A272 WeakPolarHBondContact CA-O 3.36Å; H219-W300 HydrophobicContact CB-CE3 4.16Å; H219-W300 HydrophobicContact CB-CZ3 4.08Å; H219-W300 AromaticContact CG-CZ3 3.68Å; H219-W300 AromaticContact ND1-CZ3 3.61Å
220	L	98.9	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107.4	170.1	174.2	61.2	0	0	0	108.2	F132 F214 L222 F239 L264 L267 A272 I273 V274	F132-L220 HydrophobicContact CD1-CD1 3.43Å; F132-L220 VanDerWaalsContact CD1-CD1 3.43Å; F132-L220 HydrophobicContact CE1-CD1 3.74Å; F132-L220 HydrophobicContact CG-CD1 4.15Å; F132-L220 WeakPolarHBondContact O-CA 3.33Å; F214-L220 HydrophobicContact CZ-CD2 4.1Å; L220-L222 HydrophobicContact CD1-CD2 3.83Å; L220-L222 HydrophobicContact CD2-CD2 4.25Å; L220-L222 HydrophobicContact CG-CD2 3.83Å; L220-L222 HydrophobicContact CG-CG 4.2Å; L220-F239 HydrophobicContact CD2-CE2 3.99Å; L220-L264 HydrophobicContact CD2-CD2 4.13Å; L220-L267 HydrophobicContact CB-CD1 4.49Å; L220-L267 HydrophobicContact CD2-CD1 4.07Å; L220-A272 PolarHBondContact N-O 2.89Å; L220-I273 HydrophobicContact CB-CG1 4.41Å; L220-I273 HydrophobicContact CD2-CD1 4.27Å; L220-I273 HydrophobicContact CD2-CG1 4.24Å; L220-I273 WeakPolarHBondContact O-CA 3.11Å; L220-V274 PolarHBondContact O-N 3.09Å
221	V	98.9	Very high	98	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.9	-179.6	-173	0	0	0	0	108.4	F132 I133 S134 I223 W300	F132-V221 PolarHBondContact O-N 2.95Å; I133-V221 HydrophobicContact CB-CB 4.42Å; I133-V221 HydrophobicContact CG1-CB 3.95Å; I133-V221 HydrophobicContact CG1-CG2 4.09Å; S134-V221 PolarHBondContact N-O 3.04Å; V221-I223 HydrophobicContact CG1-CD1 4.34Å; V221-I223 HydrophobicContact CG1-CG1 4.13Å; V221-W300 HydrophobicContact CG2-CB 4.34Å; V221-W300 HydrophobicContact CG2-CD2 3.52Å; V221-W300 HydrophobicContact CG2-CE3 4.08Å; V221-W300 HydrophobicContact CG2-CG 3.6Å; V221-W300 HydrophobicContact CG2-CZ2 4.49Å
222	L	98.9	Very high	97.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.2	-177.2	-57	175.9	0	0	0	108.9	L220 F238 F239 I273 V274 C276	L220-L222 HydrophobicContact CD1-CD2 3.83Å; L220-L222 HydrophobicContact CD2-CD2 4.25Å; L220-L222 HydrophobicContact CG-CD2 3.83Å; L220-L222 HydrophobicContact CG-CG 4.2Å; L222-F238 HydrophobicContact CB-CD1 3.71Å; L222-F238 HydrophobicContact CB-CE1 4.01Å; L222-F238 VanDerWaalsContact O-CE1 3.22Å; L222-F238 WeakPolarHBondContact O-CE1 3.48Å; L222-F239 HydrophobicContact CD1-CD2 3.86Å; L222-F239 HydrophobicContact CD1-CE2 4.17Å; L222-F239 HydrophobicContact CD2-CD2 4.17Å; L222-F239 HydrophobicContact CD2-CE2 3.77Å; L222-I273 HydrophobicContact CD1-CG2 3.78Å; L222-I273 HydrophobicContact CG-CG2 4.38Å; L222-V274 PolarHBondContact N-O 3.15Å; L222-C276 PolarHBondContact O-N 3.24Å
223	I	98.9	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.7	-177.7	-52.4	176.2	0	0	0	108.5	I133 S134 L135 S136 V221 C276 W286 L292 C296 I297	I133-I223 HydrophobicContact CG2-CD1 3.59Å; I133-I223 HydrophobicContact CG2-CG1 4.46Å; S134-I223 PolarHBondContact O-N 2.96Å; L135-I223 HydrophobicContact CD1-CB 3.99Å; L135-I223 HydrophobicContact CD1-CD1 4.03Å; L135-I223 HydrophobicContact CD1-CG2 3.74Å; S136-I223 WeakPolarHBondContact CA-O 3.47Å; S136-I223 PolarHBondContact N-O 3.28Å; V221-I223 HydrophobicContact CG1-CD1 4.34Å; V221-I223 HydrophobicContact CG1-CG1 4.13Å; I223-C276 HydrophobicContact CG1-CB 4.19Å; I223-W286 HydrophobicContact CG2-CE3 4.23Å; I223-W286 HydrophobicContact CG2-CZ3 4.12Å; I223-L292 HydrophobicContact CG2-CD1 3.86Å; I223-L292 HydrophobicContact CG2-CG 4.43Å; I223-C296 HydrophobicContact CD1-CB 3.67Å; I223-C296 HydrophobicContact CG1-CB 4.1Å; I223-C296 HydrophobicContact CG2-CB 4.46Å; I223-I297 HydrophobicContact CD1-CD1 4.5Å; I223-I297 HydrophobicContact CD1-CG1 3.79Å
224	G	98.6	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	178.8	178.8	0	0	0	0	0	111.3	F238 P277 M278 W286	G224-F238 VanDerWaalsContact N-CZ 3.32Å; G224-P277 WeakPolarHBondContact O-CA 3.34Å; G224-M278 PolarHBondContact O-N 2.82Å; G224-W286 VanDerWaalsContact C-CH2 3.44Å
225	G	98.3	Very high	97.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.175	C	C	.	.			trans	-169.6	160.7	-174.2	0	0	0	0	0	115.5	D227 D228 W234 M278	G225-D227 VanDerWaalsContact C-N 3.27Å; G225-D227 PolarHBondContact O-N 2.86Å; G225-D228 WeakPolarHBondContact O-CB 3.36Å; G225-D228 PolarHBondContact O-N 3.41Å; G225-W234 VanDerWaalsContact O-CB 3.24Å; G225-W234 WeakPolarHBondContact O-CB 3.48Å; G225-M278 WeakPolarHBondContact CA-O 3.28Å
226	P	97.9	Very high	97.8	Very high	68 Å²	68	29.7 Å²	29.7	44%	0.442	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.7	-175.8	26.5	-34.8	0	0	0	114	D228 W234 A279	P226-D228 VanDerWaalsContact C-N 3.33Å; P226-W234 HydrophobicContact CB-CD2 4.42Å; P226-W234 HydrophobicContact CB-CZ2 4.38Å; P226-A279 HydrophobicContact CG-CB 4.27Å
227	D	97.9	Very high	97.8	Very high	88 Å²	88	23.7 Å²	23.7	47%	0.471	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	10.6	-177.2	-54.6	-79.5	0	0	0	113.5	G225 G229 G280 I281	G225-D227 VanDerWaalsContact C-N 3.27Å; G225-D227 PolarHBondContact O-N 2.86Å; D227-G229 VanDerWaalsContact C-N 3.3Å; D227-G229 PolarHBondContact O-N 3.21Å; D227-G280 PolarHBondContact OD2-N 3.49Å; D227-I281 CarbonylContact C-O 3.56Å
228	D	96.9	Very high	97.9	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	15%	0.148	C	C	.	.			trans	-53.6	-46.7	-179.2	179.9	-77.8	0	0	0	111.9	S136 G225 P226 V230 I231 H283 W286	S136-D228 PolarHBondContact OG-OD2 3.14Å; G225-D228 WeakPolarHBondContact O-CB 3.36Å; G225-D228 PolarHBondContact O-N 3.41Å; P226-D228 VanDerWaalsContact C-N 3.33Å; D228-V230 PolarHBondContact O-N 3.02Å; D228-V230 WeakPolarHBondContact OD1-CA 2.87Å; D228-V230 WeakPolarHBondContact OD1-CB 3.15Å; D228-V230 PolarHBondContact OD1-N 3.19Å; D228-I231 PolarHBondContact OD1-N 3.28Å; D228-H283 VanDerWaalsContact CG-ND1 3.31Å; D228-H283 VanDerWaalsContact O-CB 3.32Å; D228-H283 WeakPolarHBondContact O-CB 3.43Å; D228-H283 PolarHBondContact O-N 2.84Å; D228-H283 IonicContact OD1-CG 3.87Å; D228-H283 IonicContact OD1-ND1 2.77Å; D228-H283 PolarHBondContact OD1-ND1 3.45Å; D228-H283 VanDerWaalsContact OD1-ND1 3.12Å; D228-H283 IonicContact OD2-CE1 3.26Å; D228-H283 IonicContact OD2-CG 2.85Å; D228-H283 IonicContact OD2-ND1 3.61Å; D228-H283 PolarHBondContact OD2-ND1 3.25Å; D228-W286 HydrophobicContact CB-CZ2 4.25Å; D228-W286 PolarHBondContact OD2-NE1 3.04Å
229	G	92.8	Very high	97.9	Very high	66 Å²	66	23 Å²	23	68%	0.68	14%	0.136	S	C	*	.	S	Bend	trans	74.6	-1.4	175	0	0	0	0	0	115.7	D227	D227-G229 VanDerWaalsContact C-N 3.3Å; D227-G229 PolarHBondContact O-N 3.21Å
230	V	95.5	Very high	97.9	Very high	36 Å²	36	19.9 Å²	19.9	22%	0.218	12%	0.122	C	C	.	.	S	Bend	trans	-122.4	-55.9	176.3	178.4	0	0	0	0	110.9	Q142 T146 Y148 D228 T232 H283	Q142-V230 PolarHBondContact NE2-O 2.82Å; Q142-V230 PolarHBondContact OE1-O 3.02Å; T146-V230 WeakPolarHBondContact CG2-O 3.35Å; Y148-V230 HydrophobicContact CD1-CG1 4.04Å; Y148-V230 HydrophobicContact CE1-CG1 3.73Å; D228-V230 PolarHBondContact O-N 3.02Å; D228-V230 WeakPolarHBondContact OD1-CA 2.87Å; D228-V230 WeakPolarHBondContact OD1-CB 3.15Å; D228-V230 PolarHBondContact OD1-N 3.19Å; V230-T232 PolarHBondContact O-N 3.43Å; V230-T232 PolarHBondContact O-OG1 2.9Å; V230-H283 HydrophobicContact CB-CB 3.76Å; V230-H283 HydrophobicContact CG2-CB 3.44Å; V230-H283 VanDerWaalsContact CG2-CB 3.44Å
231	I	97.2	Very high	97.9	Very high	8 Å²	8	19.9 Å²	19.9	4%	0.041	12%	0.122	C	C	.	.	S	Bend	trans	-69.7	119.8	177.3	-52.6	-52.2	0	0	0	108.8	P138 Q142 D228 P233 W234	P138-I231 HydrophobicContact CB-CD1 4.11Å; P138-I231 HydrophobicContact CB-CG2 4.18Å; P138-I231 HydrophobicContact CG-CD1 4.1Å; Q142-I231 VanDerWaalsContact OE1-CA 3.28Å; D228-I231 PolarHBondContact OD1-N 3.28Å; I231-P233 CarbonylContact O-C 3.35Å; I231-W234 WeakPolarHBondContact O-CA 2.94Å; I231-W234 PolarHBondContact O-N 3.2Å
232	T	96.4	Very high	97.9	Very high	38 Å²	38	21.8 Å²	21.8	23%	0.233	13%	0.129	C	C	.	.	S	Bend	trans	-139.2	119.1	-174.3	-53.2	0	0	0	0	109.9	Q142 Y143 V230	Q142-T232 PolarHBondContact OE1-O 2.88Å; Y143-T232 CarbonylContact C-O 3.53Å; Y143-T232 PolarHBondContact N-O 2.93Å; V230-T232 PolarHBondContact O-N 3.43Å; V230-T232 PolarHBondContact O-OG1 2.9Å
233	P	97.9	Very high	97.8	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.019	14%	0.141	C	C	.	.	S	Bend	cis	-66.6	148.5	-6.5	29.4	-28.9	0	0	0	110.8	I231 Q235 S236 F241 Y242 V248	I231-P233 CarbonylContact O-C 3.35Å; P233-Q235 PolarHBondContact O-N 3.17Å; P233-S236 WeakPolarHBondContact O-CB 3.41Å; P233-S236 PolarHBondContact O-N 3Å; P233-F241 HydrophobicContact CG-CD2 3.82Å; P233-F241 HydrophobicContact CG-CE2 4.1Å; P233-F241 HydrophobicContact CG-CG 4.44Å; P233-Y242 HydrophobicContact CB-CE1 3.92Å; P233-Y242 HydrophobicContact CB-CE2 4.11Å; P233-Y242 VanDerWaalsContact CD-CE2 3.45Å; P233-Y242 HydrophobicContact CG-CD1 4.28Å; P233-Y242 HydrophobicContact CG-CD2 4.03Å; P233-Y242 HydrophobicContact CG-CE1 4.13Å; P233-Y242 HydrophobicContact CG-CE2 3.87Å; P233-Y242 HydrophobicContact CG-CG 4.23Å; P233-V248 HydrophobicContact CB-CG2 3.9Å; P233-V248 HydrophobicContact CG-CG2 4.44Å
234	W	98.1	Very high	97.6	Very high	72 Å²	72	27 Å²	27	27%	0.273	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-63.6	-24	-178.8	67.8	-93.4	0	0	0	112.5	G225 P226 I231 S236 S237 F238	G225-W234 VanDerWaalsContact O-CB 3.24Å; G225-W234 WeakPolarHBondContact O-CB 3.48Å; P226-W234 HydrophobicContact CB-CD2 4.42Å; P226-W234 HydrophobicContact CB-CZ2 4.38Å; I231-W234 WeakPolarHBondContact O-CA 2.94Å; I231-W234 PolarHBondContact O-N 3.2Å; W234-S236 PolarHBondContact O-N 3.33Å; W234-S236 VanDerWaalsContact O-N 3.15Å; W234-S237 WeakPolarHBondContact O-CB 3.31Å; W234-S237 PolarHBondContact O-N 3.33Å; W234-S237 PolarHBondContact O-OG 3.23Å; W234-F238 HydrophobicContact CE3-CD2 4.15Å; W234-F238 HydrophobicContact CE3-CE2 4Å; W234-F238 AromaticContact CZ3-CD2 3.8Å; W234-F238 HydrophobicContact CZ3-CD2 3.8Å; W234-F238 AromaticContact CZ3-CE2 3.61Å; W234-F238 HydrophobicContact CZ3-CE2 3.61Å
235	Q	98.7	Very high	97.4	Very high	26 Å²	26	33.3 Å²	33.3	12%	0.121	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-61.9	-15.2	172.5	-65.4	91.3	-30.2	0	0	113	P233 S237 F238 F239 G240 V248	P233-Q235 PolarHBondContact O-N 3.17Å; Q235-S237 PolarHBondContact O-N 2.85Å; Q235-S237 VanDerWaalsContact O-N 3.16Å; Q235-F238 CarbonylContact O-C 3.55Å; Q235-F238 WeakPolarHBondContact O-CA 3.44Å; Q235-F238 PolarHBondContact O-N 3.09Å; Q235-F239 PolarHBondContact O-N 3.34Å; Q235-G240 CarbonylContact C-O 3.59Å; Q235-G240 VanDerWaalsContact C-O 3.32Å; Q235-G240 WeakPolarHBondContact O-CA 3.48Å; Q235-G240 PolarHBondContact O-N 3.35Å; Q235-V248 HydrophobicContact CB-CG1 3.81Å; Q235-V248 HydrophobicContact CG-CG1 3.79Å
236	S	98.8	Very high	97.3	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-56.1	-28.9	169.7	-169.7	0	0	0	0	112	P138 Q139 M140 G141 P233 W234 F238 F239 G240	P138-S236 WeakPolarHBondContact CA-OG 3.45Å; Q139-S236 VanDerWaalsContact CB-O 3.3Å; Q139-S236 WeakPolarHBondContact CB-O 3.32Å; Q139-S236 PolarHBondContact N-O 3.32Å; Q139-S236 PolarHBondContact N-OG 3.15Å; M140-S236 PolarHBondContact N-OG 2.99Å; M140-S236 VanDerWaalsContact N-OG 3.08Å; G141-S236 PolarHBondContact N-OG 2.94Å; G141-S236 WeakPolarHBondContact O-CB 3.25Å; G141-S236 PolarHBondContact O-OG 3.1Å; P233-S236 WeakPolarHBondContact O-CB 3.41Å; P233-S236 PolarHBondContact O-N 3Å; W234-S236 PolarHBondContact O-N 3.33Å; W234-S236 VanDerWaalsContact O-N 3.15Å; S236-F238 PolarHBondContact O-N 3.36Å; S236-F239 PolarHBondContact O-N 3.5Å; S236-G240 WeakPolarHBondContact CA-O 3.27Å; S236-G240 PolarHBondContact N-O 3.12Å; S236-G240 VanDerWaalsContact N-O 3.16Å
237	S	98.8	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-63.5	-17.6	170.6	-59.3	0	0	0	0	114.8	S136 S137 W234 Q235	S136-S237 WeakPolarHBondContact CA-OG 3.2Å; S136-S237 PolarHBondContact OG-OG 2.93Å; S137-S237 PolarHBondContact N-OG 3.1Å; S137-S237 WeakPolarHBondContact O-CA 3.36Å; S137-S237 PolarHBondContact O-N 2.95Å; S137-S237 PolarHBondContact O-OG 2.84Å; W234-S237 WeakPolarHBondContact O-CB 3.31Å; W234-S237 PolarHBondContact O-N 3.33Å; W234-S237 PolarHBondContact O-OG 3.23Å; Q235-S237 PolarHBondContact O-N 2.85Å; Q235-S237 VanDerWaalsContact O-N 3.16Å
238	F	98.8	Very high	97.3	Very high	10 Å²	10	34.1 Å²	34.1	4%	0.044	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-114.9	17.4	178.7	-62.2	-80.1	0	0	0	113.1	L222 G224 W234 Q235 S236 G240 M251 R275 P277	L222-F238 HydrophobicContact CB-CD1 3.71Å; L222-F238 HydrophobicContact CB-CE1 4.01Å; L222-F238 VanDerWaalsContact O-CE1 3.22Å; L222-F238 WeakPolarHBondContact O-CE1 3.48Å; G224-F238 VanDerWaalsContact N-CZ 3.32Å; W234-F238 HydrophobicContact CE3-CD2 4.15Å; W234-F238 HydrophobicContact CE3-CE2 4Å; W234-F238 AromaticContact CZ3-CD2 3.8Å; W234-F238 HydrophobicContact CZ3-CD2 3.8Å; W234-F238 AromaticContact CZ3-CE2 3.61Å; W234-F238 HydrophobicContact CZ3-CE2 3.61Å; Q235-F238 CarbonylContact O-C 3.55Å; Q235-F238 WeakPolarHBondContact O-CA 3.44Å; Q235-F238 PolarHBondContact O-N 3.09Å; S236-F238 PolarHBondContact O-N 3.36Å; F238-G240 PolarHBondContact O-N 2.84Å; F238-M251 WeakPolarHBondContact O-CB 3.31Å; F238-R275 HydrophobicContact CD1-CB 4.04Å; F238-R275 HydrophobicContact CD1-CG 4.01Å; F238-R275 HydrophobicContact CE1-CB 3.98Å; F238-R275 HydrophobicContact CE1-CG 4.45Å; F238-P277 HydrophobicContact CZ-CB 4.08Å
239	F	98.8	Very high	97.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	19	-170.9	-64	-88.6	0	0	0	115.3	Q139 M140 L220 L222 Q235 S236 M251 Q254 F262 L264	Q139-F239 HydrophobicContact CB-CD1 3.62Å; Q139-F239 HydrophobicContact CB-CD2 4.2Å; Q139-F239 HydrophobicContact CB-CE1 3.51Å; Q139-F239 HydrophobicContact CB-CE2 4.07Å; Q139-F239 HydrophobicContact CB-CG 3.98Å; Q139-F239 HydrophobicContact CB-CZ 3.74Å; Q139-F239 HydrophobicContact CG-CE1 4.18Å; Q139-F239 HydrophobicContact CG-CE2 4.07Å; Q139-F239 HydrophobicContact CG-CZ 3.88Å; M140-F239 HydrophobicContact CG-CB 4.05Å; M140-F239 HydrophobicContact CG-CD1 4.13Å; M140-F239 WeakPolarHBondContact CG-O 3.15Å; M140-F239 HydrophobicContact SD-CD1 4.23Å; L220-F239 HydrophobicContact CD2-CE2 3.99Å; L222-F239 HydrophobicContact CD1-CD2 3.86Å; L222-F239 HydrophobicContact CD1-CE2 4.17Å; L222-F239 HydrophobicContact CD2-CD2 4.17Å; L222-F239 HydrophobicContact CD2-CE2 3.77Å; Q235-F239 PolarHBondContact O-N 3.34Å; S236-F239 PolarHBondContact O-N 3.5Å; F239-M251 HydrophobicContact CB-CB 4.09Å; F239-M251 HydrophobicContact CB-CG 3.71Å; F239-M251 HydrophobicContact CB-SD 4.07Å; F239-M251 HydrophobicContact CD2-SD 4.29Å; F239-M251 WeakPolarHBondContact O-CA 3.32Å; F239-Q254 WeakPolarHBondContact O-CG 3.39Å; F239-F262 HydrophobicContact CD1-CZ 4.03Å; F239-F262 AromaticContact CE1-CE2 3.96Å; F239-F262 HydrophobicContact CE1-CE2 3.96Å; F239-F262 AromaticContact CE1-CZ 3.57Å; F239-F262 HydrophobicContact CE1-CZ 3.57Å; F239-F262 HydrophobicContact CZ-CE2 4.23Å; F239-F262 HydrophobicContact CZ-CZ 4.27Å; F239-L264 HydrophobicContact CB-CD1 4.09Å; F239-L264 HydrophobicContact CD1-CD1 3.83Å; F239-L264 HydrophobicContact CD2-CD1 4.23Å; F239-L264 HydrophobicContact CD2-CD2 3.94Å; F239-L264 HydrophobicContact CE1-CD1 4.25Å; F239-L264 HydrophobicContact CE1-CD2 4.32Å; F239-L264 HydrophobicContact CE2-CD2 3.74Å; F239-L264 HydrophobicContact CG-CD1 3.82Å; F239-L264 HydrophobicContact CG-CD2 4.34Å; F239-L264 HydrophobicContact CZ-CD2 3.94Å
240	G	98.8	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.			trans	-85.8	154.4	165.6	0	0	0	0	0	111.3	Q235 S236 F238 L249	Q235-G240 CarbonylContact C-O 3.59Å; Q235-G240 VanDerWaalsContact C-O 3.32Å; Q235-G240 WeakPolarHBondContact O-CA 3.48Å; Q235-G240 PolarHBondContact O-N 3.35Å; S236-G240 WeakPolarHBondContact CA-O 3.27Å; S236-G240 PolarHBondContact N-O 3.12Å; S236-G240 VanDerWaalsContact N-O 3.16Å; F238-G240 PolarHBondContact O-N 2.84Å; G240-L249 CarbonylContact C-O 3.6Å; G240-L249 WeakPolarHBondContact CA-O 3.33Å
241	F	98.7	Very high	97.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	171.2	179.5	-151.7	-107	0	0	0	112.3	M140 G141 H180 P233 L249 Q254	M140-F241 HydrophobicContact CB-CB 3.8Å; M140-F241 HydrophobicContact CB-CD2 3.83Å; M140-F241 HydrophobicContact CB-CG 4Å; M140-F241 HydrophobicContact CG-CB 4.43Å; M140-F241 WeakPolarHBondContact O-CD2 3.5Å; G141-F241 WeakPolarHBondContact O-CE2 3.29Å; H180-F241 HydrophobicContact CB-CE1 3.81Å; H180-F241 HydrophobicContact CB-CE2 4.44Å; H180-F241 HydrophobicContact CB-CZ 3.66Å; H180-F241 AromaticContact CE1-CD1 3.58Å; H180-F241 AromaticContact CE1-CE1 3.81Å; H180-F241 AromaticContact CG-CD1 4Å; H180-F241 AromaticContact CG-CE1 3.43Å; H180-F241 VanDerWaalsContact CG-CE1 3.43Å; H180-F241 AromaticContact CG-CZ 3.82Å; H180-F241 AromaticContact ND1-CD1 3.38Å; H180-F241 WeakPolarHBondContact ND1-CD1 3.38Å; H180-F241 AromaticContact ND1-CE1 3.3Å; H180-F241 VanDerWaalsContact ND1-CE1 3.3Å; H180-F241 WeakPolarHBondContact ND1-CE1 3.43Å; H180-F241 AromaticContact ND1-CG 3.95Å; H180-F241 AromaticContact ND1-CZ 3.81Å; H180-F241 VanDerWaalsContact O-CE1 3.3Å; H180-F241 WeakPolarHBondContact O-CE1 3.36Å; H180-F241 VanDerWaalsContact O-CZ 3.28Å; H180-F241 WeakPolarHBondContact O-CZ 3.33Å; P233-F241 HydrophobicContact CG-CD2 3.82Å; P233-F241 HydrophobicContact CG-CE2 4.1Å; P233-F241 HydrophobicContact CG-CG 4.44Å; F241-L249 PolarHBondContact N-O 3.12Å; F241-L249 PolarHBondContact O-N 2.88Å; F241-Q254 PolarHBondContact O-NE2 2.88Å; F241-Q254 VanDerWaalsContact O-NE2 3.13Å
242	Y	98.4	Very high	97.9	Very high	40 Å²	40	37.8 Å²	37.8	16%	0.157	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	143.2	177.7	-68	-46.9	0	0	0	113.2	Y143 P182 P233 E246 T247 V248	Y143-Y242 HydrophobicContact CD1-CD2 4.13Å; Y143-Y242 HydrophobicContact CD1-CE2 4.2Å; P182-Y242 HydrophobicContact CG-CD2 4.48Å; P233-Y242 HydrophobicContact CB-CE1 3.92Å; P233-Y242 HydrophobicContact CB-CE2 4.11Å; P233-Y242 VanDerWaalsContact CD-CE2 3.45Å; P233-Y242 HydrophobicContact CG-CD1 4.28Å; P233-Y242 HydrophobicContact CG-CD2 4.03Å; P233-Y242 HydrophobicContact CG-CE1 4.13Å; P233-Y242 HydrophobicContact CG-CE2 3.87Å; P233-Y242 HydrophobicContact CG-CG 4.23Å; Y242-E246 VanDerWaalsContact CD1-C 3.44Å; Y242-E246 HydrophobicContact CD1-CB 4.06Å; Y242-E246 WeakPolarHBondContact CD1-O 3.33Å; Y242-E246 HydrophobicContact CE1-CB 4.33Å; Y242-E246 VanDerWaalsContact CE1-O 3.32Å; Y242-E246 WeakPolarHBondContact CE1-O 3.46Å; Y242-E246 HydrophobicContact CG-CB 4.27Å; Y242-E246 HydrophobicContact CG-CG 4.49Å; Y242-T247 CarbonylContact C-O 3.55Å; Y242-T247 WeakPolarHBondContact CA-O 3.4Å; Y242-V248 HydrophobicContact CD1-CG2 3.72Å; Y242-V248 HydrophobicContact CE1-CG2 3.52Å
243	D	96.8	Very high	98	Very high	44 Å²	44	41.2 Å²	41.2	24%	0.235	22%	0.215	C	C	.	.			trans	-80.7	-177.4	155.5	79.6	-9.9	0	0	0	111.2	P182 N245 E246 T247 L249	P182-D243 WeakPolarHBondContact CB-O 3.3Å; D243-N245 PolarHBondContact O-N 3.06Å; D243-N245 VanDerWaalsContact O-N 3.09Å; D243-N245 WeakPolarHBondContact OD1-CA 3.06Å; D243-N245 WeakPolarHBondContact OD1-CB 3.06Å; D243-N245 PolarHBondContact OD1-N 3.44Å; D243-E246 PolarHBondContact O-N 3.47Å; D243-E246 PolarHBondContact OD1-N 2.52Å; D243-T247 PolarHBondContact N-O 3.33Å; D243-T247 WeakPolarHBondContact OD1-CA 3.49Å; D243-T247 WeakPolarHBondContact OD1-CB 3.42Å; D243-T247 PolarHBondContact OD1-N 3.43Å; D243-L249 HydrophobicContact CB-CD1 3.92Å; D243-L249 HydrophobicContact CB-CG 4.14Å
244	A	94.8	Very high	98	Very high	65 Å²	65	42 Å²	42	54%	0.537	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.9	178.6	0	0	0	0	0	114.4	H183	H183-A244 PolarHBondContact CE1-O 2.87Å
245	N	96.1	Very high	98	Very high	132 Å²	132	43.4 Å²	43.4	71%	0.706	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	10.9	176.8	-60.6	-54.6	0	0	0	112.7	D243 T247	D243-N245 PolarHBondContact O-N 3.06Å; D243-N245 VanDerWaalsContact O-N 3.09Å; D243-N245 WeakPolarHBondContact OD1-CA 3.06Å; D243-N245 WeakPolarHBondContact OD1-CB 3.06Å; D243-N245 PolarHBondContact OD1-N 3.44Å; N245-T247 PolarHBondContact O-N 2.74Å
246	E	95.9	Very high	97.9	Very high	56 Å²	56	42.3 Å²	42.3	26%	0.262	23%	0.225	S	C	.	.	S	Bend	trans	57.8	24.4	-170.6	-61.7	-176.4	-147.8	0	0	113.6	R158 P182 H183 Y242 D243	R158-E246 IonicContact CZ-OE2 3.56Å; R158-E246 IonicContact NH1-OE2 3.77Å; R158-E246 PolarHBondContact NH1-OE2 3.45Å; R158-E246 IonicContact NH2-OE1 2.68Å; R158-E246 IonicContact NH2-OE2 3.81Å; R158-E246 PolarHBondContact NH2-OE2 2.92Å; P182-E246 HydrophobicContact CG-CG 4.34Å; H183-E246 IonicContact CD2-OE1 3.48Å; H183-E246 IonicContact CE1-OE1 2.87Å; H183-E246 IonicContact NE2-OE1 2.74Å; H183-E246 PolarHBondContact NE2-OE1 3.29Å; Y242-E246 VanDerWaalsContact CD1-C 3.44Å; Y242-E246 HydrophobicContact CD1-CB 4.06Å; Y242-E246 WeakPolarHBondContact CD1-O 3.33Å; Y242-E246 HydrophobicContact CE1-CB 4.33Å; Y242-E246 VanDerWaalsContact CE1-O 3.32Å; Y242-E246 WeakPolarHBondContact CE1-O 3.46Å; Y242-E246 HydrophobicContact CG-CB 4.27Å; Y242-E246 HydrophobicContact CG-CG 4.49Å; D243-E246 PolarHBondContact O-N 3.47Å; D243-E246 PolarHBondContact OD1-N 2.52Å
247	T	97.6	Very high	97.9	Very high	78 Å²	78	43.7 Å²	43.7	48%	0.479	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-81.5	128.6	167.1	-58.6	0	0	0	0	108.4	Y242 D243 N245 L249	Y242-T247 CarbonylContact C-O 3.55Å; Y242-T247 WeakPolarHBondContact CA-O 3.4Å; D243-T247 PolarHBondContact N-O 3.33Å; D243-T247 WeakPolarHBondContact OD1-CA 3.49Å; D243-T247 WeakPolarHBondContact OD1-CB 3.42Å; D243-T247 PolarHBondContact OD1-N 3.43Å; N245-T247 PolarHBondContact O-N 2.74Å; T247-L249 PolarHBondContact O-N 3.4Å
248	V	98.3	Very high	97.9	Very high	40 Å²	40	48.1 Å²	48.1	24%	0.242	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	123.1	178.6	-179	0	0	0	0	109.8	P233 Q235 Y242	P233-V248 HydrophobicContact CB-CG2 3.9Å; P233-V248 HydrophobicContact CG-CG2 4.44Å; Q235-V248 HydrophobicContact CB-CG1 3.81Å; Q235-V248 HydrophobicContact CG-CG1 3.79Å; Y242-V248 HydrophobicContact CD1-CG2 3.72Å; Y242-V248 HydrophobicContact CE1-CG2 3.52Å
249	L	98.6	Very high	97.9	Very high	50 Å²	50	55.7 Å²	55.7	26%	0.262	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.2	167.6	-61.6	-179.8	0	0	0	109	G240 F241 D243 T247 E253 Q254	G240-L249 CarbonylContact C-O 3.6Å; G240-L249 WeakPolarHBondContact CA-O 3.33Å; F241-L249 PolarHBondContact N-O 3.12Å; F241-L249 PolarHBondContact O-N 2.88Å; D243-L249 HydrophobicContact CB-CD1 3.92Å; D243-L249 HydrophobicContact CB-CG 4.14Å; T247-L249 PolarHBondContact O-N 3.4Å; L249-E253 HydrophobicContact CB-CB 4.11Å; L249-Q254 PolarHBondContact O-NE2 3.24Å
250	E	98.6	Very high	97.9	Very high	78 Å²	78	56.7 Å²	56.7	36%	0.364	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-72.1	165.2	176.9	-65.1	-61.1	151.9	0	0	111	E252 E253 Q254	E250-E252 PolarHBondContact O-N 2.75Å; E250-E252 VanDerWaalsContact O-N 3.11Å; E250-E253 PolarHBondContact N-OE2 3.08Å; E250-E253 VanDerWaalsContact N-OE2 3.08Å; E250-E253 WeakPolarHBondContact O-CB 3.44Å; E250-E253 PolarHBondContact O-N 3.1Å; E250-Q254 PolarHBondContact O-N 2.9Å
251	M	98.6	Very high	97.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-48.5	-44.2	-175.7	-179.9	-176.7	84.3	0	0	113.4	F238 F239 E253 Q254 Y257 L264 L268 I273	F238-M251 WeakPolarHBondContact O-CB 3.31Å; F239-M251 HydrophobicContact CB-CB 4.09Å; F239-M251 HydrophobicContact CB-CG 3.71Å; F239-M251 HydrophobicContact CB-SD 4.07Å; F239-M251 HydrophobicContact CD2-SD 4.29Å; F239-M251 WeakPolarHBondContact O-CA 3.32Å; M251-E253 PolarHBondContact O-N 2.49Å; M251-Q254 WeakPolarHBondContact O-CB 3.47Å; M251-Q254 PolarHBondContact O-N 3.19Å; M251-Y257 HydrophobicContact CE-CD2 3.8Å; M251-Y257 HydrophobicContact CE-CE2 3.72Å; M251-Y257 HydrophobicContact CG-CD2 4.02Å; M251-Y257 WeakPolarHBondContact O-CB 3.46Å; M251-Y257 HydrophobicContact SD-CD2 4.45Å; M251-L264 HydrophobicContact CG-CD1 4.07Å; M251-L264 HydrophobicContact SD-CD1 4.13Å; M251-L264 HydrophobicContact SD-CD2 4.38Å; M251-L268 HydrophobicContact CE-CD1 4.47Å; M251-L268 HydrophobicContact CE-CD2 4.01Å; M251-I273 HydrophobicContact CE-CD1 4.08Å; M251-I273 HydrophobicContact SD-CD1 4.28Å
252	E	98.6	Very high	97.8	Very high	61 Å²	61	58.6 Å²	58.6	29%	0.285	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-66.5	-19.7	-176.2	-68.3	87.9	157.1	0	0	113.7	E250 Y257 L258 L268 R275	E250-E252 PolarHBondContact O-N 2.75Å; E250-E252 VanDerWaalsContact O-N 3.11Å; E252-Y257 VanDerWaalsContact CA-CD1 3.49Å; E252-Y257 HydrophobicContact CB-CD1 4.27Å; E252-Y257 HydrophobicContact CB-CE1 4.07Å; E252-Y257 HydrophobicContact CG-CE1 4.07Å; E252-Y257 HydrophobicContact CG-CE2 4.25Å; E252-Y257 WeakPolarHBondContact O-CD1 3.34Å; E252-L258 WeakPolarHBondContact O-CD2 3.34Å; E252-L268 HydrophobicContact CG-CD2 4.32Å; E252-R275 IonicContact OE1-CZ 3.75Å; E252-R275 VanDerWaalsContact OE1-CZ 3.26Å; E252-R275 IonicContact OE1-NH1 3.12Å; E252-R275 PolarHBondContact OE1-NH1 3.17Å; E252-R275 IonicContact OE1-NH2 3.06Å; E252-R275 PolarHBondContact OE1-NH2 2.81Å; E252-R275 IonicContact OE2-CZ 2.64Å; E252-R275 IonicContact OE2-NH1 3.35Å; E252-R275 IonicContact OE2-NH2 2.75Å; E252-R275 PolarHBondContact OE2-NH2 3.23Å
253	E	98.6	Very high	97.8	Very high	111 Å²	111	56.7 Å²	56.7	52%	0.519	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-94.2	-15.4	179.6	-60.6	175.4	109	0	0	112	L249 E250 M251	L249-E253 HydrophobicContact CB-CB 4.11Å; E250-E253 PolarHBondContact N-OE2 3.08Å; E250-E253 VanDerWaalsContact N-OE2 3.08Å; E250-E253 WeakPolarHBondContact O-CB 3.44Å; E250-E253 PolarHBondContact O-N 3.1Å; M251-E253 PolarHBondContact O-N 2.49Å
254	Q	98.3	Very high	97.9	Very high	18 Å²	18	54.6 Å²	54.6	8%	0.084	28%	0.281	C	S	.	.	S	Bend	trans	-69.6	142.2	178.6	-61.1	-66.4	-27.7	0	0	112.1	F239 F241 L249 E250 M251 V256 Y257 L258	F239-Q254 WeakPolarHBondContact O-CG 3.39Å; F241-Q254 PolarHBondContact O-NE2 2.88Å; F241-Q254 VanDerWaalsContact O-NE2 3.13Å; L249-Q254 PolarHBondContact O-NE2 3.24Å; E250-Q254 PolarHBondContact O-N 2.9Å; M251-Q254 WeakPolarHBondContact O-CB 3.47Å; M251-Q254 PolarHBondContact O-N 3.19Å; Q254-V256 HydrophobicContact CB-CG2 3.9Å; Q254-V256 PolarHBondContact O-N 3.21Å; Q254-Y257 PolarHBondContact O-N 3.04Å; Q254-L258 WeakPolarHBondContact O-CG 3.39Å; Q254-L258 PolarHBondContact O-N 3.42Å
255	L	97.3	Very high	98.1	Very high	103 Å²	103	56.1 Å²	56.1	54%	0.539	28%	0.275	S	S	.	.	H	α-helix	trans	-57.8	-35.8	177.4	-72.2	178.5	0	0	0	112.9	Y257 L258 R259	L255-Y257 VanDerWaalsContact C-N 3.26Å; L255-Y257 PolarHBondContact O-N 3.32Å; L255-L258 HydrophobicContact CD2-CD1 4.37Å; L255-L258 PolarHBondContact O-N 2.81Å; L255-R259 VanDerWaalsContact O-CB 3.31Å; L255-R259 WeakPolarHBondContact O-CB 3.47Å; L255-R259 WeakPolarHBondContact O-CG 3.38Å; L255-R259 PolarHBondContact O-N 2.71Å
256	V	97.9	Very high	98.2	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-33.7	177.9	-61.4	0	0	0	0	112.5	M140 N199 E201 Q254 D260 S261 F262 L264	M140-V256 HydrophobicContact CE-CG1 4.35Å; M140-V256 HydrophobicContact CE-CG2 3.98Å; M140-V256 HydrophobicContact SD-CG2 3.82Å; N199-V256 HydrophobicContact CB-CG1 4.08Å; E201-V256 HydrophobicContact CG-CG1 3.64Å; Q254-V256 HydrophobicContact CB-CG2 3.9Å; Q254-V256 PolarHBondContact O-N 3.21Å; V256-D260 PolarHBondContact O-N 2.72Å; V256-S261 PolarHBondContact O-N 2.85Å; V256-F262 HydrophobicContact CB-CE1 4.06Å; V256-F262 HydrophobicContact CG2-CE1 4.32Å; V256-L264 HydrophobicContact CG2-CD1 4.47Å
257	Y	98.7	Very high	98.3	Very high	30 Å²	30	49.5 Å²	49.5	12%	0.118	24%	0.244	C	C	.	.	H	α-helix	trans	-78.8	-46.3	174.6	177.2	-86.1	0	0	0	111.1	M251 E252 Q254 L255 R259 D260 L264 K265 L268	M251-Y257 HydrophobicContact CE-CD2 3.8Å; M251-Y257 HydrophobicContact CE-CE2 3.72Å; M251-Y257 HydrophobicContact CG-CD2 4.02Å; M251-Y257 WeakPolarHBondContact O-CB 3.46Å; M251-Y257 HydrophobicContact SD-CD2 4.45Å; E252-Y257 VanDerWaalsContact CA-CD1 3.49Å; E252-Y257 HydrophobicContact CB-CD1 4.27Å; E252-Y257 HydrophobicContact CB-CE1 4.07Å; E252-Y257 HydrophobicContact CG-CE1 4.07Å; E252-Y257 HydrophobicContact CG-CE2 4.25Å; E252-Y257 WeakPolarHBondContact O-CD1 3.34Å; Q254-Y257 PolarHBondContact O-N 3.04Å; L255-Y257 VanDerWaalsContact C-N 3.26Å; L255-Y257 PolarHBondContact O-N 3.32Å; Y257-R259 VanDerWaalsContact C-N 3.26Å; Y257-R259 PolarHBondContact O-N 2.92Å; Y257-D260 WeakPolarHBondContact O-CA 3.13Å; Y257-D260 PolarHBondContact O-N 2.88Å; Y257-L264 HydrophobicContact CD2-CB 3.94Å; Y257-K265 HydrophobicContact CD1-CB 4.45Å; Y257-K265 HydrophobicContact CD2-CB 4.08Å; Y257-K265 HydrophobicContact CE1-CB 4.17Å; Y257-K265 HydrophobicContact CE1-CD 4.13Å; Y257-K265 HydrophobicContact CE1-CG 4.02Å; Y257-K265 VanDerWaalsContact CE2-CA 3.46Å; Y257-K265 HydrophobicContact CE2-CB 3.77Å; Y257-K265 HydrophobicContact CE2-CG 4.24Å; Y257-K265 HydrophobicContact CG-CB 4.4Å; Y257-L268 HydrophobicContact CE2-CB 4.33Å; Y257-L268 HydrophobicContact CE2-CD2 3.88Å; Y257-L268 WeakPolarHBondContact OH-CD2 3.28Å
258	L	98.6	Very high	98.4	Very high	93 Å²	93	48.3 Å²	48.3	49%	0.487	23%	0.234	S	C	.	.	H	α-helix	trans	-59	-39.8	-178.3	-67.6	174.9	0	0	0	112	E252 Q254 L255 D260	E252-L258 WeakPolarHBondContact O-CD2 3.34Å; Q254-L258 WeakPolarHBondContact O-CG 3.39Å; Q254-L258 PolarHBondContact O-N 3.42Å; L255-L258 HydrophobicContact CD2-CD1 4.37Å; L255-L258 PolarHBondContact O-N 2.81Å; L258-D260 VanDerWaalsContact C-N 3.33Å
259	R	98.1	Very high	98.4	Very high	169 Å²	169	50.7 Å²	50.7	64%	0.638	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.5	175.3	-65.4	176.2	-179.6	174.9	2.6	113.5	L255 Y257 S261	L255-R259 VanDerWaalsContact O-CB 3.31Å; L255-R259 WeakPolarHBondContact O-CB 3.47Å; L255-R259 WeakPolarHBondContact O-CG 3.38Å; L255-R259 PolarHBondContact O-N 2.71Å; Y257-R259 VanDerWaalsContact C-N 3.26Å; Y257-R259 PolarHBondContact O-N 2.92Å; R259-S261 PolarHBondContact O-N 3.08Å
260	D	98.4	Very high	98.4	Very high	21 Å²	21	54.1 Å²	54.1	11%	0.112	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	40.1	-171.4	-164	39.6	0	0	0	112.9	R211 V256 Y257 L258 F262 G263 L264 K265 T266	R211-D260 IonicContact CZ-OD2 3.63Å; R211-D260 PolarHBondContact NE-O 3.46Å; R211-D260 VanDerWaalsContact NE-O 3.15Å; R211-D260 IonicContact NE-OD2 3.42Å; R211-D260 IonicContact NH2-OD2 2.87Å; R211-D260 PolarHBondContact NH2-OD2 3.01Å; V256-D260 PolarHBondContact O-N 2.72Å; Y257-D260 WeakPolarHBondContact O-CA 3.13Å; Y257-D260 PolarHBondContact O-N 2.88Å; L258-D260 VanDerWaalsContact C-N 3.33Å; D260-F262 PolarHBondContact O-N 2.78Å; D260-F262 VanDerWaalsContact O-N 3.09Å; D260-G263 PolarHBondContact O-N 2.79Å; D260-G263 WeakPolarHBondContact OD1-CA 3.21Å; D260-L264 PolarHBondContact OD1-N 2.94Å; D260-L264 VanDerWaalsContact OD1-N 3.17Å; D260-K265 HydrophobicContact CB-CB 3.97Å; D260-K265 WeakPolarHBondContact OD1-CA 3.23Å; D260-K265 WeakPolarHBondContact OD1-CB 3.49Å; D260-K265 PolarHBondContact OD1-N 3.03Å; D260-T266 PolarHBondContact OD1-N 3Å; D260-T266 VanDerWaalsContact OD1-N 3.12Å; D260-T266 PolarHBondContact OD2-OG1 3.1Å
261	S	97.7	Very high	98.4	Very high	31 Å²	31	52.9 Å²	52.9	22%	0.217	28%	0.275	C	S	.	.	S	Bend	trans	-52.9	-40.1	-164.6	-62.5	0	0	0	0	113.1	N199 V256 R259	N199-S261 VanDerWaalsContact O-CB 3.26Å; N199-S261 WeakPolarHBondContact O-CB 3.16Å; V256-S261 PolarHBondContact O-N 2.85Å; R259-S261 PolarHBondContact O-N 3.08Å
262	F	98.1	Very high	98.4	Very high	8 Å²	8	53 Å²	53	4%	0.035	28%	0.277	C	S	.	.	S	Bend	trans	-126.9	8.1	177.1	63.1	-88.5	0	0	0	113.6	N199 F214 F239 V256 D260 L264	N199-F262 WeakPolarHBondContact O-CD1 3.41Å; F214-F262 AromaticContact CD1-CD2 3.88Å; F214-F262 HydrophobicContact CD1-CD2 3.88Å; F214-F262 WeakPolarHBondContact CD1-O 3.39Å; F214-F262 AromaticContact CE1-CD2 3.81Å; F214-F262 HydrophobicContact CE1-CD2 3.81Å; F214-F262 AromaticContact CE1-CE2 4Å; F214-F262 HydrophobicContact CE1-CE2 4Å; F239-F262 HydrophobicContact CD1-CZ 4.03Å; F239-F262 AromaticContact CE1-CE2 3.96Å; F239-F262 HydrophobicContact CE1-CE2 3.96Å; F239-F262 AromaticContact CE1-CZ 3.57Å; F239-F262 HydrophobicContact CE1-CZ 3.57Å; F239-F262 HydrophobicContact CZ-CE2 4.23Å; F239-F262 HydrophobicContact CZ-CZ 4.27Å; V256-F262 HydrophobicContact CB-CE1 4.06Å; V256-F262 HydrophobicContact CG2-CE1 4.32Å; D260-F262 PolarHBondContact O-N 2.78Å; D260-F262 VanDerWaalsContact O-N 3.09Å; F262-L264 HydrophobicContact CD2-CG 4.27Å; F262-L264 HydrophobicContact CE1-CD1 4.09Å; F262-L264 HydrophobicContact CE1-CG 4.26Å; F262-L264 HydrophobicContact CE2-CD1 3.96Å; F262-L264 HydrophobicContact CE2-CD2 3.7Å; F262-L264 HydrophobicContact CE2-CG 3.44Å; F262-L264 VanDerWaalsContact CE2-CG 3.44Å; F262-L264 HydrophobicContact CZ-CD1 3.4Å; F262-L264 VanDerWaalsContact CZ-CD1 3.4Å; F262-L264 HydrophobicContact CZ-CD2 4.03Å; F262-L264 HydrophobicContact CZ-CG 3.45Å; F262-L264 VanDerWaalsContact CZ-CG 3.45Å
263	G	98.3	Very high	98.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	109.8	7.2	169.5	0	0	0	0	0	117.3	D260 K265 T266 L267	D260-G263 PolarHBondContact O-N 2.79Å; D260-G263 WeakPolarHBondContact OD1-CA 3.21Å; G263-K265 PolarHBondContact O-N 3.27Å; G263-T266 WeakPolarHBondContact O-CB 3.47Å; G263-T266 PolarHBondContact O-N 3.18Å; G263-L267 WeakPolarHBondContact O-CG 3.36Å; G263-L267 PolarHBondContact O-N 3.09Å
264	L	98.5	Very high	98.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57	-43.6	179.7	-73.3	179.1	0	0	0	113.7	L220 F239 M251 V256 Y257 D260 F262 T266 L267 L268 I273	L220-L264 HydrophobicContact CD2-CD2 4.13Å; F239-L264 HydrophobicContact CB-CD1 4.09Å; F239-L264 HydrophobicContact CD1-CD1 3.83Å; F239-L264 HydrophobicContact CD2-CD1 4.23Å; F239-L264 HydrophobicContact CD2-CD2 3.94Å; F239-L264 HydrophobicContact CE1-CD1 4.25Å; F239-L264 HydrophobicContact CE1-CD2 4.32Å; F239-L264 HydrophobicContact CE2-CD2 3.74Å; F239-L264 HydrophobicContact CG-CD1 3.82Å; F239-L264 HydrophobicContact CG-CD2 4.34Å; F239-L264 HydrophobicContact CZ-CD2 3.94Å; M251-L264 HydrophobicContact CG-CD1 4.07Å; M251-L264 HydrophobicContact SD-CD1 4.13Å; M251-L264 HydrophobicContact SD-CD2 4.38Å; V256-L264 HydrophobicContact CG2-CD1 4.47Å; Y257-L264 HydrophobicContact CD2-CB 3.94Å; D260-L264 PolarHBondContact OD1-N 2.94Å; D260-L264 VanDerWaalsContact OD1-N 3.17Å; F262-L264 HydrophobicContact CD2-CG 4.27Å; F262-L264 HydrophobicContact CE1-CD1 4.09Å; F262-L264 HydrophobicContact CE1-CG 4.26Å; F262-L264 HydrophobicContact CE2-CD1 3.96Å; F262-L264 HydrophobicContact CE2-CD2 3.7Å; F262-L264 HydrophobicContact CE2-CG 3.44Å; F262-L264 VanDerWaalsContact CE2-CG 3.44Å; F262-L264 HydrophobicContact CZ-CD1 3.4Å; F262-L264 VanDerWaalsContact CZ-CD1 3.4Å; F262-L264 HydrophobicContact CZ-CD2 4.03Å; F262-L264 HydrophobicContact CZ-CG 3.45Å; F262-L264 VanDerWaalsContact CZ-CG 3.45Å; L264-T266 VanDerWaalsContact C-N 3.32Å; L264-L267 PolarHBondContact O-N 2.84Å; L264-L268 WeakPolarHBondContact O-CB 2.96Å; L264-L268 PolarHBondContact O-N 3.48Å; L264-I273 HydrophobicContact CD2-CD1 4Å; L264-I273 WeakPolarHBondContact O-CD1 3.03Å
265	K	98.8	Very high	98.4	Very high	97 Å²	97	51.1 Å²	51.1	42%	0.422	27%	0.267	S	S	.	.	H	α-helix	trans	-67.5	-38.3	179	-178.3	175.7	-176.9	175.4	0	110.5	Y257 D260 G263 A269	Y257-K265 HydrophobicContact CD1-CB 4.45Å; Y257-K265 HydrophobicContact CD2-CB 4.08Å; Y257-K265 HydrophobicContact CE1-CB 4.17Å; Y257-K265 HydrophobicContact CE1-CD 4.13Å; Y257-K265 HydrophobicContact CE1-CG 4.02Å; Y257-K265 VanDerWaalsContact CE2-CA 3.46Å; Y257-K265 HydrophobicContact CE2-CB 3.77Å; Y257-K265 HydrophobicContact CE2-CG 4.24Å; Y257-K265 HydrophobicContact CG-CB 4.4Å; D260-K265 HydrophobicContact CB-CB 3.97Å; D260-K265 WeakPolarHBondContact OD1-CA 3.23Å; D260-K265 WeakPolarHBondContact OD1-CB 3.49Å; D260-K265 PolarHBondContact OD1-N 3.03Å; G263-K265 PolarHBondContact O-N 3.27Å; K265-A269 VanDerWaalsContact O-CB 3.25Å; K265-A269 WeakPolarHBondContact O-CB 3.34Å; K265-A269 PolarHBondContact O-N 3.31Å
266	T	98.8	Very high	98.5	Very high	50 Å²	50	47.1 Å²	47.1	31%	0.307	25%	0.248	S	C	.	.	H	α-helix	trans	-63.1	-45	172.9	-67.6	0	0	0	0	112.1	R211 L215 D260 G263 L264 A269 R270	R211-T266 PolarHBondContact NH2-OG1 2.84Å; R211-T266 VanDerWaalsContact NH2-OG1 3.14Å; L215-T266 HydrophobicContact CD1-CG2 4.2Å; L215-T266 HydrophobicContact CD2-CG2 3.68Å; D260-T266 PolarHBondContact OD1-N 3Å; D260-T266 VanDerWaalsContact OD1-N 3.12Å; D260-T266 PolarHBondContact OD2-OG1 3.1Å; G263-T266 WeakPolarHBondContact O-CB 3.47Å; G263-T266 PolarHBondContact O-N 3.18Å; L264-T266 VanDerWaalsContact C-N 3.32Å; T266-A269 PolarHBondContact O-N 2.87Å; T266-R270 PolarHBondContact O-N 2.82Å
267	L	98.8	Very high	98.5	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-44.3	177.7	-69.7	-179.9	0	0	0	111.7	F214 L215 V217 L220 G263 L264 R270 G271 A272 I273	F214-L267 HydrophobicContact CD1-CD1 4.11Å; F214-L267 HydrophobicContact CE1-CD1 3.49Å; F214-L267 VanDerWaalsContact CE1-CD1 3.49Å; F214-L267 HydrophobicContact CZ-CD1 4.14Å; L215-L267 HydrophobicContact CD2-CD2 3.76Å; L215-L267 HydrophobicContact CD2-CG 3.82Å; V217-L267 HydrophobicContact CG1-CD1 4.16Å; V217-L267 HydrophobicContact CG1-CD2 4.06Å; L220-L267 HydrophobicContact CB-CD1 4.49Å; L220-L267 HydrophobicContact CD2-CD1 4.07Å; G263-L267 WeakPolarHBondContact O-CG 3.36Å; G263-L267 PolarHBondContact O-N 3.09Å; L264-L267 PolarHBondContact O-N 2.84Å; L267-R270 VanDerWaalsContact CD2-CZ 3.42Å; L267-R270 WeakPolarHBondContact O-CG 3.32Å; L267-R270 PolarHBondContact O-N 3.39Å; L267-G271 PolarHBondContact O-N 3.18Å; L267-A272 HydrophobicContact CB-CB 4.37Å; L267-A272 HydrophobicContact CD2-CB 4.13Å; L267-A272 WeakPolarHBondContact O-CB 3.43Å; L267-A272 PolarHBondContact O-N 3.4Å; L267-I273 HydrophobicContact CB-CD1 3.86Å; L267-I273 HydrophobicContact CB-CG1 3.61Å
268	L	98.7	Very high	98.4	Very high	52 Å²	52	51.2 Å²	51.2	27%	0.272	28%	0.275	S	S	.	.	H	α-helix	trans	-62.9	-45.7	177.7	-170.3	67.7	0	0	0	111	M251 E252 Y257 L264 R270 G271 I273	M251-L268 HydrophobicContact CE-CD1 4.47Å; M251-L268 HydrophobicContact CE-CD2 4.01Å; E252-L268 HydrophobicContact CG-CD2 4.32Å; Y257-L268 HydrophobicContact CE2-CB 4.33Å; Y257-L268 HydrophobicContact CE2-CD2 3.88Å; Y257-L268 WeakPolarHBondContact OH-CD2 3.28Å; L264-L268 WeakPolarHBondContact O-CB 2.96Å; L264-L268 PolarHBondContact O-N 3.48Å; L268-R270 PolarHBondContact O-N 3.25Å; L268-G271 PolarHBondContact O-N 3.39Å; L268-I273 HydrophobicContact CB-CD1 4.12Å; L268-I273 HydrophobicContact CB-CG1 4.48Å; L268-I273 HydrophobicContact CD1-CB 3.98Å; L268-I273 HydrophobicContact CD1-CG2 4.46Å
269	A	98.7	Very high	98.4	Very high	91 Å²	91	50.3 Å²	50.3	75%	0.752	28%	0.281	S	S	*	.	H	α-helix	trans	-61.2	-29.8	-178.8	0	0	0	0	0	113.4	K265 T266	K265-A269 VanDerWaalsContact O-CB 3.25Å; K265-A269 WeakPolarHBondContact O-CB 3.34Å; K265-A269 PolarHBondContact O-N 3.31Å; T266-A269 PolarHBondContact O-N 2.87Å
270	R	98.4	Very high	98.4	Very high	122 Å²	122	45.2 Å²	45.2	46%	0.46	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	6.4	175.3	76.4	177.6	-171.1	-163.4	1.8	114.4	L215 V217 T266 L267 L268 A272	L215-R270 PolarHBondContact O-NH1 3.24Å; L215-R270 PolarHBondContact O-NH2 2.91Å; V217-R270 PolarHBondContact O-NH2 3.1Å; T266-R270 PolarHBondContact O-N 2.82Å; L267-R270 VanDerWaalsContact CD2-CZ 3.42Å; L267-R270 WeakPolarHBondContact O-CG 3.32Å; L267-R270 PolarHBondContact O-N 3.39Å; L268-R270 PolarHBondContact O-N 3.25Å; R270-A272 VanDerWaalsContact C-N 3.3Å; R270-A272 HydrophobicContact CG-CB 3.73Å; R270-A272 PolarHBondContact O-N 2.87Å
271	G	98.4	Very high	98.4	Very high	51 Å²	51	44.5 Å²	44.5	53%	0.526	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	20.5	-178.9	0	0	0	0	0	114.5	L267 L268	L267-G271 PolarHBondContact O-N 3.18Å; L268-G271 PolarHBondContact O-N 3.39Å
272	A	98.6	Very high	98.3	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.033	29%	0.288	C	S	.	.			trans	-88.9	-10.1	-178.1	0	0	0	0	0	113.6	G218 H219 L220 L267 R270	G218-A272 VanDerWaalsContact O-CB 3.29Å; G218-A272 WeakPolarHBondContact O-CB 3.18Å; H219-A272 CarbonylContact C-O 3.42Å; H219-A272 WeakPolarHBondContact CA-O 3.36Å; L220-A272 PolarHBondContact N-O 2.89Å; L267-A272 HydrophobicContact CB-CB 4.37Å; L267-A272 HydrophobicContact CD2-CB 4.13Å; L267-A272 WeakPolarHBondContact O-CB 3.43Å; L267-A272 PolarHBondContact O-N 3.4Å; R270-A272 VanDerWaalsContact C-N 3.3Å; R270-A272 HydrophobicContact CG-CB 3.73Å; R270-A272 PolarHBondContact O-N 2.87Å
273	I	98.8	Very high	98.3	Very high	16 Å²	16	46.2 Å²	46.2	8%	0.082	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.4	174	-58.4	-171.9	0	0	0	109.5	L220 L222 M251 L264 L267 L268	L220-I273 HydrophobicContact CB-CG1 4.41Å; L220-I273 HydrophobicContact CD2-CD1 4.27Å; L220-I273 HydrophobicContact CD2-CG1 4.24Å; L220-I273 WeakPolarHBondContact O-CA 3.11Å; L222-I273 HydrophobicContact CD1-CG2 3.78Å; L222-I273 HydrophobicContact CG-CG2 4.38Å; M251-I273 HydrophobicContact CE-CD1 4.08Å; M251-I273 HydrophobicContact SD-CD1 4.28Å; L264-I273 HydrophobicContact CD2-CD1 4Å; L264-I273 WeakPolarHBondContact O-CD1 3.03Å; L267-I273 HydrophobicContact CB-CD1 3.86Å; L267-I273 HydrophobicContact CB-CG1 3.61Å; L268-I273 HydrophobicContact CB-CD1 4.12Å; L268-I273 HydrophobicContact CB-CG1 4.48Å; L268-I273 HydrophobicContact CD1-CB 3.98Å; L268-I273 HydrophobicContact CD1-CG2 4.46Å
274	V	98.3	Very high	98.2	Very high	40 Å²	40	51.2 Å²	51.2	24%	0.242	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.7	169.8	177.5	0	0	0	0	109.7	L220 L222 W300	L220-V274 PolarHBondContact O-N 3.09Å; L222-V274 PolarHBondContact N-O 3.15Å; V274-W300 HydrophobicContact CB-CH2 4.24Å; V274-W300 HydrophobicContact CB-CZ2 3.79Å; V274-W300 HydrophobicContact CG1-CZ2 3.71Å; V274-W300 HydrophobicContact CG2-CH2 3.35Å; V274-W300 HydrophobicContact CG2-CZ2 3.37Å; V274-W300 HydrophobicContact CG2-CZ3 4.34Å
275	R	98.6	Very high	98.2	Very high	93 Å²	93	52.4 Å²	52.4	35%	0.351	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.8	175.5	-61.5	177	171.2	151.8	-5.5	109.1	F238 E252	F238-R275 HydrophobicContact CD1-CB 4.04Å; F238-R275 HydrophobicContact CD1-CG 4.01Å; F238-R275 HydrophobicContact CE1-CB 3.98Å; F238-R275 HydrophobicContact CE1-CG 4.45Å; E252-R275 IonicContact OE1-CZ 3.75Å; E252-R275 VanDerWaalsContact OE1-CZ 3.26Å; E252-R275 IonicContact OE1-NH1 3.12Å; E252-R275 PolarHBondContact OE1-NH1 3.17Å; E252-R275 IonicContact OE1-NH2 3.06Å; E252-R275 PolarHBondContact OE1-NH2 2.81Å; E252-R275 IonicContact OE2-CZ 2.64Å; E252-R275 IonicContact OE2-NH1 3.35Å; E252-R275 IonicContact OE2-NH2 2.75Å; E252-R275 PolarHBondContact OE2-NH2 3.23Å
276	C	98.6	Very high	98.1	Very high	20 Å²	20	47.9 Å²	47.9	14%	0.135	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	80.4	174.3	-151.6	0	0	0	0	110.3	L222 I223 C296	L222-C276 PolarHBondContact O-N 3.24Å; I223-C276 HydrophobicContact CG1-CB 4.19Å; C276-C296 HydrophobicContact CB-CB 3.65Å; C276-C296 WeakPolarHBondContact CB-SG 3.47Å; C276-C296 VanDerWaalsContact SG-CA 3.53Å; C276-C296 WeakPolarHBondContact SG-CB 3.2Å; C276-C296 CovalentContact SG-SG 2.03Å; C276-C296 PolarHBondContact SG-SG 3.08Å
277	P	98.3	Very high	98	Very high	84 Å²	84	46.4 Å²	46.4	55%	0.545	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	131.2	174.4	30.4	-33.4	0	0	0	110.7	G224 F238	G224-P277 WeakPolarHBondContact O-CA 3.34Å; F238-P277 HydrophobicContact CZ-CB 4.08Å
278	M	98.1	Very high	97.9	Very high	33 Å²	33	48.1 Å²	48.1	16%	0.163	31%	0.311	C	S	.	.			trans	-131.8	128.7	-179.9	-70	-74.4	-69.1	0	0	110.1	G224 G225 I281 W286 T291 L292 T295	G224-M278 PolarHBondContact O-N 2.82Å; G225-M278 WeakPolarHBondContact CA-O 3.28Å; M278-I281 HydrophobicContact CB-CD1 4.02Å; M278-I281 HydrophobicContact CE-CD1 4.01Å; M278-W286 HydrophobicContact CB-CH2 4.11Å; M278-W286 HydrophobicContact CB-CZ3 3.88Å; M278-T291 HydrophobicContact CE-CG2 4.28Å; M278-L292 HydrophobicContact CB-CD1 4.36Å; M278-L292 HydrophobicContact CE-CB 4.24Å; M278-L292 HydrophobicContact CG-CD1 4.13Å; M278-T295 HydrophobicContact SD-CG2 4.39Å
279	A	97.7	Very high	97.9	Very high	74 Å²	74	47.9 Å²	47.9	61%	0.612	31%	0.31	S	S	*	.	S	Bend	trans	-94.4	162	175.6	0	0	0	0	0	111.6	P226 I281	P226-A279 HydrophobicContact CG-CB 4.27Å; A279-I281 VanDerWaalsContact C-N 3.34Å; A279-I281 PolarHBondContact O-N 2.88Å
280	G	97.6	Very high	97.9	Very high	63 Å²	63	47 Å²	47	65%	0.649	29%	0.288	S	S	*	.	S	Bend	trans	75.3	16.4	173.4	0	0	0	0	0	115.3	D227	D227-G280 PolarHBondContact OD2-N 3.49Å
281	I	97.9	Very high	97.9	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	29%	0.29	C	S	.	.			trans	-117.5	117.8	-179.9	-56.5	179	0	0	0	108.7	D227 M278 A279 A285 W286 N289 L292	D227-I281 CarbonylContact C-O 3.56Å; M278-I281 HydrophobicContact CB-CD1 4.02Å; M278-I281 HydrophobicContact CE-CD1 4.01Å; A279-I281 VanDerWaalsContact C-N 3.34Å; A279-I281 PolarHBondContact O-N 2.88Å; I281-A285 HydrophobicContact CG2-CB 4.01Å; I281-W286 HydrophobicContact CB-CD2 4.36Å; I281-W286 HydrophobicContact CB-CE3 4.24Å; I281-W286 HydrophobicContact CB-CH2 3.88Å; I281-W286 HydrophobicContact CB-CZ2 4.08Å; I281-W286 HydrophobicContact CB-CZ3 4.01Å; I281-W286 HydrophobicContact CD1-CE3 4.31Å; I281-W286 HydrophobicContact CD1-CH2 4.49Å; I281-W286 HydrophobicContact CD1-CZ3 3.94Å; I281-W286 HydrophobicContact CG2-CD2 3.65Å; I281-W286 HydrophobicContact CG2-CE3 3.76Å; I281-W286 HydrophobicContact CG2-CG 4.16Å; I281-W286 HydrophobicContact CG2-CH2 4.25Å; I281-W286 HydrophobicContact CG2-CZ2 4.23Å; I281-W286 HydrophobicContact CG2-CZ3 4.05Å; I281-W286 WeakPolarHBondContact O-CZ2 3.29Å; I281-N289 HydrophobicContact CD1-CB 4.22Å; I281-L292 HydrophobicContact CD1-CB 3.9Å; I281-L292 HydrophobicContact CD1-CD1 3.59Å; I281-L292 HydrophobicContact CD1-CG 4.44Å
282	S	97.4	Very high	97.9	Very high	61 Å²	61	42.8 Å²	42.8	43%	0.427	27%	0.266	S	S	.	.			trans	-74.4	158	171.7	61.4	0	0	0	0	111.2	T284 A285	S282-T284 VanDerWaalsContact C-N 3.34Å; S282-T284 PolarHBondContact O-N 2.87Å; S282-A285 WeakPolarHBondContact O-CB 3.18Å; S282-A285 PolarHBondContact O-N 2.75Å
283	H	97.3	Very high	97.9	Very high	15 Å²	15	42.7 Å²	42.7	7%	0.069	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-49.5	-52.5	-174.3	-163	68.8	0	0	0	113	Y110 S111 S136 D228 V230 A285 W286	Y110-H283 AromaticContact CZ-NE2 3.91Å; Y110-H283 PolarHBondContact OH-CD2 3.38Å; Y110-H283 PolarHBondContact OH-O 2.84Å; S111-H283 VanDerWaalsContact CB-NE2 3.35Å; S111-H283 WeakPolarHBondContact CB-NE2 3.43Å; S111-H283 PolarHBondContact OG-CE1 3.43Å; S111-H283 PolarHBondContact OG-NE2 3.05Å; S136-H283 PolarHBondContact O-CE1 3.05Å; D228-H283 VanDerWaalsContact CG-ND1 3.31Å; D228-H283 VanDerWaalsContact O-CB 3.32Å; D228-H283 WeakPolarHBondContact O-CB 3.43Å; D228-H283 PolarHBondContact O-N 2.84Å; D228-H283 IonicContact OD1-CG 3.87Å; D228-H283 IonicContact OD1-ND1 2.77Å; D228-H283 PolarHBondContact OD1-ND1 3.45Å; D228-H283 VanDerWaalsContact OD1-ND1 3.12Å; D228-H283 IonicContact OD2-CE1 3.26Å; D228-H283 IonicContact OD2-CG 2.85Å; D228-H283 IonicContact OD2-ND1 3.61Å; D228-H283 PolarHBondContact OD2-ND1 3.25Å; V230-H283 HydrophobicContact CB-CB 3.76Å; V230-H283 HydrophobicContact CG2-CB 3.44Å; V230-H283 VanDerWaalsContact CG2-CB 3.44Å; H283-A285 PolarHBondContact O-N 3.1Å; H283-W286 AromaticContact ND1-CD1 3.86Å; H283-W286 AromaticContact ND1-NE1 3.98Å; H283-W286 PolarHBondContact O-N 3.02Å
284	T	96.2	Very high	97.9	Very high	104 Å²	104	46 Å²	46	64%	0.638	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-69.8	-5.1	-177.1	55.8	0	0	0	0	114.7	S282 H287	S282-T284 VanDerWaalsContact C-N 3.34Å; S282-T284 PolarHBondContact O-N 2.87Å; T284-H287 PolarHBondContact O-NE2 2.96Å
285	A	97.4	Very high	97.9	Very high	26 Å²	26	47.8 Å²	47.8	22%	0.215	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-100	-11.2	177.9	0	0	0	0	0	113.4	I281 S282 H283 H287 S288 N289	I281-A285 HydrophobicContact CG2-CB 4.01Å; S282-A285 WeakPolarHBondContact O-CB 3.18Å; S282-A285 PolarHBondContact O-N 2.75Å; H283-A285 PolarHBondContact O-N 3.1Å; A285-H287 PolarHBondContact O-N 2.66Å; A285-S288 PolarHBondContact O-N 3.3Å; A285-S288 PolarHBondContact O-OG 3.1Å; A285-N289 WeakPolarHBondContact O-CB 3.25Å; A285-N289 PolarHBondContact O-N 3.43Å
286	W	97.9	Very high	97.8	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.008	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-53.3	-47.5	-175.2	-73	120.5	0	0	0	113.2	Y110 L135 S136 I223 G224 D228 M278 I281 H283 S288 L292	Y110-W286 HydrophobicContact CD2-CB 4.35Å; Y110-W286 HydrophobicContact CE2-CB 3.89Å; Y110-W286 HydrophobicContact CE2-CG 4.38Å; L135-W286 HydrophobicContact CD1-CB 4.03Å; L135-W286 HydrophobicContact CD1-CE3 4.36Å; L135-W286 HydrophobicContact CD2-CB 4.24Å; L135-W286 HydrophobicContact CG-CB 4.02Å; S136-W286 PolarHBondContact OG-NE1 3.43Å; I223-W286 HydrophobicContact CG2-CE3 4.23Å; I223-W286 HydrophobicContact CG2-CZ3 4.12Å; G224-W286 VanDerWaalsContact C-CH2 3.44Å; D228-W286 HydrophobicContact CB-CZ2 4.25Å; D228-W286 PolarHBondContact OD2-NE1 3.04Å; M278-W286 HydrophobicContact CB-CH2 4.11Å; M278-W286 HydrophobicContact CB-CZ3 3.88Å; I281-W286 HydrophobicContact CB-CD2 4.36Å; I281-W286 HydrophobicContact CB-CE3 4.24Å; I281-W286 HydrophobicContact CB-CH2 3.88Å; I281-W286 HydrophobicContact CB-CZ2 4.08Å; I281-W286 HydrophobicContact CB-CZ3 4.01Å; I281-W286 HydrophobicContact CD1-CE3 4.31Å; I281-W286 HydrophobicContact CD1-CH2 4.49Å; I281-W286 HydrophobicContact CD1-CZ3 3.94Å; I281-W286 HydrophobicContact CG2-CD2 3.65Å; I281-W286 HydrophobicContact CG2-CE3 3.76Å; I281-W286 HydrophobicContact CG2-CG 4.16Å; I281-W286 HydrophobicContact CG2-CH2 4.25Å; I281-W286 HydrophobicContact CG2-CZ2 4.23Å; I281-W286 HydrophobicContact CG2-CZ3 4.05Å; I281-W286 WeakPolarHBondContact O-CZ2 3.29Å; H283-W286 AromaticContact ND1-CD1 3.86Å; H283-W286 AromaticContact ND1-NE1 3.98Å; H283-W286 PolarHBondContact O-N 3.02Å; W286-S288 VanDerWaalsContact C-N 3.31Å; W286-S288 PolarHBondContact O-N 3.08Å; W286-L292 HydrophobicContact CD2-CD1 4.38Å; W286-L292 HydrophobicContact CE3-CD1 3.1Å; W286-L292 HydrophobicContact CZ3-CD1 3.21Å; W286-L292 WeakPolarHBondContact O-CD2 3.46Å
287	H	96.6	Very high	97.8	Very high	18 Å²	18	42.5 Å²	42.5	8%	0.083	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-82.4	-2.3	-177.5	61.3	71.9	0	0	0	114.4	S51 F52 Y110 L135 T284 A285	S51-H287 PolarHBondContact O-CE1 3.38Å; S51-H287 PolarHBondContact O-ND1 2.9Å; F52-H287 HydrophobicContact CD1-CB 3.87Å; F52-H287 HydrophobicContact CE1-CB 3.75Å; Y110-H287 AromaticContact CD1-CD2 3.99Å; Y110-H287 AromaticContact CE1-CD2 3.67Å; Y110-H287 AromaticContact CZ-CD2 3.84Å; L135-H287 HydrophobicContact CD2-CB 4.08Å; T284-H287 PolarHBondContact O-NE2 2.96Å; A285-H287 PolarHBondContact O-N 2.66Å
288	S	97.4	Very high	97.8	Very high	36 Å²	36	41.2 Å²	41.2	25%	0.252	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-123.4	1.6	-178.3	58.2	0	0	0	0	113.7	Y58 A285 W286	Y58-S288 PolarHBondContact OH-O 3.12Å; Y58-S288 VanDerWaalsContact OH-O 3.05Å; A285-S288 PolarHBondContact O-N 3.3Å; A285-S288 PolarHBondContact O-OG 3.1Å; W286-S288 VanDerWaalsContact C-N 3.31Å; W286-S288 PolarHBondContact O-N 3.08Å
289	N	98.3	Very high	97.8	Very high	47 Å²	47	43.2 Å²	43.2	25%	0.251	27%	0.27	S	S	.	.			trans	-85.2	116.1	178.3	-172.2	-66.5	0	0	0	111	I281 A285 T291 L292 Y293	I281-N289 HydrophobicContact CD1-CB 4.22Å; A285-N289 WeakPolarHBondContact O-CB 3.25Å; A285-N289 PolarHBondContact O-N 3.43Å; N289-T291 PolarHBondContact OD1-N 3.12Å; N289-T291 VanDerWaalsContact OD1-N 3.14Å; N289-L292 HydrophobicContact CB-CB 3.98Å; N289-L292 PolarHBondContact O-N 2.68Å; N289-L292 PolarHBondContact OD1-N 3.33Å; N289-Y293 PolarHBondContact O-N 3.23Å; N289-Y293 VanDerWaalsContact O-N 3.08Å
290	R	98.1	Very high	97.8	Very high	73 Å²	73	42.5 Å²	42.5	28%	0.275	25%	0.252	S	S	.	.	H	α-helix	trans	-62.9	-46.7	-178.4	-178.5	59.1	177.4	-131.2	-0.2	113.4	Y58 E61 L292 Y293 E294	Y58-R290 HydrophobicContact CE2-CB 4.14Å; E61-R290 IonicContact OE2-CZ 3.65Å; E61-R290 IonicContact OE2-NH1 3.85Å; E61-R290 PolarHBondContact OE2-NH1 2.81Å; E61-R290 IonicContact OE2-NH2 2.7Å; E61-R290 PolarHBondContact OE2-NH2 2.74Å; R290-L292 VanDerWaalsContact C-N 3.25Å; R290-L292 PolarHBondContact O-N 2.99Å; R290-Y293 WeakPolarHBondContact O-CB 3.45Å; R290-Y293 PolarHBondContact O-N 2.79Å; R290-Y293 VanDerWaalsContact O-N 3.1Å; R290-E294 HydrophobicContact CG-CG 4.49Å; R290-E294 IonicContact CZ-OE1 3.64Å; R290-E294 IonicContact NE-OE1 3.67Å; R290-E294 PolarHBondContact NE-OE1 3.07Å; R290-E294 IonicContact NH2-OE1 2.71Å; R290-E294 PolarHBondContact NH2-OE1 2.88Å; R290-E294 VanDerWaalsContact NH2-OE1 3.08Å; R290-E294 PolarHBondContact O-N 3.28Å
291	T	98.3	Very high	97.7	Very high	84 Å²	84	39.6 Å²	39.6	52%	0.515	22%	0.221	S	C	.	.	H	α-helix	trans	-59.4	-40.7	-179.8	-55.4	0	0	0	0	111.2	M278 N289 T295	M278-T291 HydrophobicContact CE-CG2 4.28Å; N289-T291 PolarHBondContact OD1-N 3.12Å; N289-T291 VanDerWaalsContact OD1-N 3.14Å; T291-T295 VanDerWaalsContact O-CB 3.24Å; T291-T295 WeakPolarHBondContact O-CB 3.12Å; T291-T295 PolarHBondContact O-N 3.12Å; T291-T295 PolarHBondContact O-OG1 3.28Å
292	L	98.3	Very high	97.1	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-63.1	-45.1	174.5	-179.9	138	0	0	0	112.7	L135 I223 M278 I281 W286 N289 R290 E294 T295 C296 I297	L135-L292 HydrophobicContact CD1-CD2 3.93Å; I223-L292 HydrophobicContact CG2-CD1 3.86Å; I223-L292 HydrophobicContact CG2-CG 4.43Å; M278-L292 HydrophobicContact CB-CD1 4.36Å; M278-L292 HydrophobicContact CE-CB 4.24Å; M278-L292 HydrophobicContact CG-CD1 4.13Å; I281-L292 HydrophobicContact CD1-CB 3.9Å; I281-L292 HydrophobicContact CD1-CD1 3.59Å; I281-L292 HydrophobicContact CD1-CG 4.44Å; W286-L292 HydrophobicContact CD2-CD1 4.38Å; W286-L292 HydrophobicContact CE3-CD1 3.1Å; W286-L292 HydrophobicContact CZ3-CD1 3.21Å; W286-L292 WeakPolarHBondContact O-CD2 3.46Å; N289-L292 HydrophobicContact CB-CB 3.98Å; N289-L292 PolarHBondContact O-N 2.68Å; N289-L292 PolarHBondContact OD1-N 3.33Å; R290-L292 VanDerWaalsContact C-N 3.25Å; R290-L292 PolarHBondContact O-N 2.99Å; L292-E294 PolarHBondContact O-N 3.13Å; L292-T295 PolarHBondContact O-N 3.09Å; L292-C296 HydrophobicContact CG-CB 4.39Å; L292-C296 WeakPolarHBondContact O-CB 3.43Å; L292-C296 PolarHBondContact O-N 3.37Å; L292-I297 HydrophobicContact CD2-CD1 3.67Å; L292-I297 HydrophobicContact CD2-CG1 4.08Å
293	Y	98.6	Very high	97	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.008	25%	0.248	C	C	.	.	I	π-helix	trans	-55.8	-54.1	178.3	168.9	-96	0	0	0	110.8	L55 Y58 I59 T62 N289 R290 T295 I297 E298 L301	L55-Y293 HydrophobicContact CD1-CD2 3.63Å; L55-Y293 HydrophobicContact CD1-CE2 4.06Å; Y58-Y293 HydrophobicContact CD2-CD1 4.21Å; Y58-Y293 HydrophobicContact CD2-CD2 4.42Å; Y58-Y293 AromaticContact CD2-CG 3.86Å; Y58-Y293 HydrophobicContact CD2-CG 3.86Å; Y58-Y293 HydrophobicContact CG-CD1 4.21Å; Y58-Y293 HydrophobicContact CG-CG 4.27Å; Y58-Y293 PolarHBondContact O-OH 3.34Å; I59-Y293 VanDerWaalsContact CA-OH 3.31Å; I59-Y293 WeakPolarHBondContact CA-OH 3.34Å; I59-Y293 HydrophobicContact CG1-CE2 3.64Å; T62-Y293 HydrophobicContact CG2-CE1 4.01Å; T62-Y293 PolarHBondContact OG1-OH 3.06Å; N289-Y293 PolarHBondContact O-N 3.23Å; N289-Y293 VanDerWaalsContact O-N 3.08Å; R290-Y293 WeakPolarHBondContact O-CB 3.45Å; R290-Y293 PolarHBondContact O-N 2.79Å; R290-Y293 VanDerWaalsContact O-N 3.1Å; Y293-T295 VanDerWaalsContact C-N 3.28Å; Y293-T295 PolarHBondContact O-N 2.06Å; Y293-I297 HydrophobicContact CD2-CB 3.87Å; Y293-I297 HydrophobicContact CD2-CD1 4.47Å; Y293-I297 HydrophobicContact CD2-CG2 3.78Å; Y293-I297 HydrophobicContact CE2-CB 4.33Å; Y293-I297 HydrophobicContact CE2-CG2 3.85Å; Y293-I297 WeakPolarHBondContact O-CA 3.41Å; Y293-I297 WeakPolarHBondContact O-CB 3.48Å; Y293-I297 PolarHBondContact O-N 3.35Å; Y293-E298 HydrophobicContact CD1-CB 4.33Å; Y293-E298 HydrophobicContact CE1-CB 3.86Å; Y293-E298 HydrophobicContact CE1-CG 4.08Å; Y293-E298 PolarHBondContact O-N 3.47Å; Y293-L301 HydrophobicContact CE2-CD1 4.17Å
294	E	98.3	Very high	97	Very high	85 Å²	85	45.3 Å²	45.3	40%	0.397	26%	0.258	S	S	.	.	I	π-helix	trans	-63.1	-35.7	-177.6	-65.3	176.7	159.6	0	0	112	R290 L292 E298	R290-E294 HydrophobicContact CG-CG 4.49Å; R290-E294 IonicContact CZ-OE1 3.64Å; R290-E294 IonicContact NE-OE1 3.67Å; R290-E294 PolarHBondContact NE-OE1 3.07Å; R290-E294 IonicContact NH2-OE1 2.71Å; R290-E294 PolarHBondContact NH2-OE1 2.88Å; R290-E294 VanDerWaalsContact NH2-OE1 3.08Å; R290-E294 PolarHBondContact O-N 3.28Å; L292-E294 PolarHBondContact O-N 3.13Å; E294-E298 WeakPolarHBondContact CA-OE2 3.05Å
295	T	98.2	Very high	97.1	Very high	78 Å²	78	42.1 Å²	42.1	48%	0.479	24%	0.237	S	C	.	.	I	π-helix	trans	-81.8	-43.5	-176.1	-54.5	0	0	0	0	112.8	M278 T291 L292 Y293	M278-T295 HydrophobicContact SD-CG2 4.39Å; T291-T295 VanDerWaalsContact O-CB 3.24Å; T291-T295 WeakPolarHBondContact O-CB 3.12Å; T291-T295 PolarHBondContact O-N 3.12Å; T291-T295 PolarHBondContact O-OG1 3.28Å; L292-T295 PolarHBondContact O-N 3.09Å; Y293-T295 VanDerWaalsContact C-N 3.28Å; Y293-T295 PolarHBondContact O-N 2.06Å
296	C	98.3	Very high	97	Very high	1 Å²	1	43 Å²	43	1%	0.007	24%	0.238	C	C	.	.	I	π-helix	trans	-115.7	-19.9	-164.2	-60.8	0	0	0	0	114.6	I223 C276 L292	I223-C296 HydrophobicContact CD1-CB 3.67Å; I223-C296 HydrophobicContact CG1-CB 4.1Å; I223-C296 HydrophobicContact CG2-CB 4.46Å; C276-C296 HydrophobicContact CB-CB 3.65Å; C276-C296 WeakPolarHBondContact CB-SG 3.47Å; C276-C296 VanDerWaalsContact SG-CA 3.53Å; C276-C296 WeakPolarHBondContact SG-CB 3.2Å; C276-C296 CovalentContact SG-SG 2.03Å; C276-C296 PolarHBondContact SG-SG 3.08Å; L292-C296 HydrophobicContact CG-CB 4.39Å; L292-C296 WeakPolarHBondContact O-CB 3.43Å; L292-C296 PolarHBondContact O-N 3.37Å
297	I	98.6	Very high	97	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.252	C	S	.	.	I	π-helix	trans	-111.2	-54.7	-174	-62.2	-179	0	0	0	110.5	L55 I108 I133 L135 I223 L292 Y293 P299 W300 L301	L55-I297 HydrophobicContact CD1-CD1 4.18Å; I108-I297 HydrophobicContact CD1-CG2 3.88Å; I133-I297 HydrophobicContact CD1-CG2 4.12Å; I133-I297 HydrophobicContact CG2-CG1 4.36Å; L135-I297 HydrophobicContact CD2-CD1 4.49Å; I223-I297 HydrophobicContact CD1-CD1 4.5Å; I223-I297 HydrophobicContact CD1-CG1 3.79Å; L292-I297 HydrophobicContact CD2-CD1 3.67Å; L292-I297 HydrophobicContact CD2-CG1 4.08Å; Y293-I297 HydrophobicContact CD2-CB 3.87Å; Y293-I297 HydrophobicContact CD2-CD1 4.47Å; Y293-I297 HydrophobicContact CD2-CG2 3.78Å; Y293-I297 HydrophobicContact CE2-CB 4.33Å; Y293-I297 HydrophobicContact CE2-CG2 3.85Å; Y293-I297 WeakPolarHBondContact O-CA 3.41Å; Y293-I297 WeakPolarHBondContact O-CB 3.48Å; Y293-I297 PolarHBondContact O-N 3.35Å; I297-P299 VanDerWaalsContact C-N 3.33Å; I297-W300 WeakPolarHBondContact O-CB 3.43Å; I297-W300 PolarHBondContact O-N 3.46Å; I297-L301 HydrophobicContact CG2-CD1 3.9Å; I297-L301 HydrophobicContact CG2-CG 4.28Å
298	E	98.3	Very high	97	Very high	56 Å²	56	47.4 Å²	47.4	26%	0.262	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-48.7	-44.4	-175.8	-171.8	-173.1	-178.3	0	0	113.9	T62 H63 Y293 E294 W300 L301	T62-E298 WeakPolarHBondContact CB-OE1 3.48Å; T62-E298 WeakPolarHBondContact CG2-OE1 3.42Å; T62-E298 PolarHBondContact OG1-OE1 3.37Å; H63-E298 PolarHBondContact CE1-O 3.27Å; Y293-E298 HydrophobicContact CD1-CB 4.33Å; Y293-E298 HydrophobicContact CE1-CB 3.86Å; Y293-E298 HydrophobicContact CE1-CG 4.08Å; Y293-E298 PolarHBondContact O-N 3.47Å; E294-E298 WeakPolarHBondContact CA-OE2 3.05Å; E298-W300 PolarHBondContact O-N 2.94Å; E298-L301 PolarHBondContact O-N 3Å; E298-L301 VanDerWaalsContact O-N 3.17Å
299	P	97.6	Very high	97	Very high	76 Å²	76	48.2 Å²	48.2	49%	0.494	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-62.1	-14.1	-178.4	-23.8	36.2	0	0	0	114.8	I297	I297-P299 VanDerWaalsContact C-N 3.33Å
300	W	97.4	Very high	96.9	Very high	59 Å²	59	48.3 Å²	48.3	22%	0.223	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-105.7	3.4	-175.1	-58.5	104.1	0	0	0	114	H106 S131 I133 H219 V221 V274 I297 E298	H106-W300 PolarHBondContact CE1-O 3.01Å; H106-W300 PolarHBondContact ND1-O 3.41Å; S131-W300 PolarHBondContact OG-O 3.05Å; I133-W300 HydrophobicContact CD1-CB 4.02Å; I133-W300 HydrophobicContact CG1-CB 4.47Å; H219-W300 HydrophobicContact CB-CE3 4.16Å; H219-W300 HydrophobicContact CB-CZ3 4.08Å; H219-W300 AromaticContact CG-CZ3 3.68Å; H219-W300 AromaticContact ND1-CZ3 3.61Å; V221-W300 HydrophobicContact CG2-CB 4.34Å; V221-W300 HydrophobicContact CG2-CD2 3.52Å; V221-W300 HydrophobicContact CG2-CE3 4.08Å; V221-W300 HydrophobicContact CG2-CG 3.6Å; V221-W300 HydrophobicContact CG2-CZ2 4.49Å; V274-W300 HydrophobicContact CB-CH2 4.24Å; V274-W300 HydrophobicContact CB-CZ2 3.79Å; V274-W300 HydrophobicContact CG1-CZ2 3.71Å; V274-W300 HydrophobicContact CG2-CH2 3.35Å; V274-W300 HydrophobicContact CG2-CZ2 3.37Å; V274-W300 HydrophobicContact CG2-CZ3 4.34Å; I297-W300 WeakPolarHBondContact O-CB 3.43Å; I297-W300 PolarHBondContact O-N 3.46Å; E298-W300 PolarHBondContact O-N 2.94Å
301	L	96.1	Very high	96.8	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	27%	0.265	C	S	.	.			trans	-107.7	1.3	-178.8	-57.7	-174.7	0	0	0	113.8	V39 I59 H63 H106 I108 I133 Y293 I297 E298	V39-L301 HydrophobicContact CG2-CD2 3.91Å; I59-L301 HydrophobicContact CD1-CD1 3.99Å; I59-L301 HydrophobicContact CG1-CD1 3.75Å; H63-L301 PolarHBondContact CD2-O 3Å; H63-L301 VanDerWaalsContact CD2-O 3.31Å; H63-L301 PolarHBondContact NE2-O 2.78Å; H106-L301 HydrophobicContact CB-CD2 3.93Å; I108-L301 HydrophobicContact CD1-CD2 4.37Å; I133-L301 HydrophobicContact CD1-CD2 4.02Å; Y293-L301 HydrophobicContact CE2-CD1 4.17Å; I297-L301 HydrophobicContact CG2-CD1 3.9Å; I297-L301 HydrophobicContact CG2-CG 4.28Å; E298-L301 PolarHBondContact O-N 3Å; E298-L301 VanDerWaalsContact O-N 3.17Å
302	S	83.4	Confident	96.7	Very high	111 Å²	111	42.8 Å²	42.8	78%	0.776	24%	0.242	S	C	*	.			trans	-85.2	0	-178.8	-66.1	0	0	0	0	113.9	H63	H63-S302 PolarHBondContact NE2-N 3.26Å; H63-S302 PolarHBondContact NE2-OG 3.03Å

Retrieved 302 of 302 residues in 693.3 ms (Link to these results)

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