KTRC_SCHMA Loading...

Taurocyamine kinase

This family of enzymes reversibly catalyzes the transfer of phosphate between ATP and various phosphogens (e.g. creatine phosphate).

AlphaFold DB , UniProt , Accession P16641, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 746 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	38.8	Very low	36.1	Very low	229 Å²	229	137.2 Å²	137.2	100%	1.128	77%	0.773	S	S	*	*				0	92.2	0	-68.2	177.7	-129	0	0	106.2
2	T	36.6	Very low	35.8	Very low	127 Å²	127	144.7 Å²	144.7	78%	0.779	78%	0.78	S	S	*	*				71.5	121.3	110.8	52	0	0	0	0	111.1
3	C	35.5	Very low	35.3	Very low	100 Å²	100	147.4 Å²	147.4	68%	0.676	78%	0.781	S	S	*	*			cis	-176.2	151	16	-112.8	0	0	0	0	108.7
4	T	37.3	Very low	35.4	Very low	130 Å²	130	148.2 Å²	148.2	80%	0.798	78%	0.783	S	S	*	*			trans	67.9	143	139.4	51.5	0	0	0	0	121.4
5	S	38.6	Very low	34.9	Very low	102 Å²	102	149.5 Å²	149.5	71%	0.713	78%	0.783	S	S	*	*			cis	-174.4	130.5	-7.5	56.9	0	0	0	0	106.5
6	A	37.9	Very low	34.8	Very low	82 Å²	82	147.4 Å²	147.4	68%	0.678	78%	0.778	S	S	*	*				86.3	118.2	103	0	0	0	0	0	116.7
7	F	36.4	Very low	34.6	Very low	184 Å²	184	146.5 Å²	146.5	81%	0.807	78%	0.78	S	S	*	*				178.3	102.9	114.6	-113.3	-101.1	0	0	0	108.2
8	I	37.5	Very low	34.6	Very low	134 Å²	134	146.9 Å²	146.9	69%	0.687	78%	0.78	S	S	*	*				67.3	133.6	91.8	-66.9	169.7	0	0	0	112.5
9	K	31.9	Very low	34.4	Very low	181 Å²	181	145.4 Å²	145.4	79%	0.787	77%	0.773	S	S	*	*			cis	172.9	158.1	-11.8	-155.2	176.6	-168.1	-179.4	0	106.2
10	V	35.2	Very low	34.2	Very low	119 Å²	119	145.1 Å²	145.1	72%	0.721	78%	0.776	S	S	*	*			trans	82.4	105.9	160.9	-164.2	0	0	0	0	116.4
11	V	31.8	Very low	34.1	Very low	121 Å²	121	148.4 Å²	148.4	73%	0.733	78%	0.778	S	S	*	*				80.9	120	58.2	179.4	0	0	0	0	115.6
12	R	31.8	Very low	33.8	Very low	227 Å²	227	146.6 Å²	146.6	86%	0.857	77%	0.767	S	S	*	*			trans	103.9	108.6	150.3	-91.1	169	-174.8	-170.8	0.9	121.3
13	F	30	Very low	33.6	Very low	180 Å²	180	148.5 Å²	148.5	79%	0.789	77%	0.77	S	S	*	*				56.1	102.4	126.9	-99.7	-93.9	0	0	0	119.8
14	I	35.6	Very low	33.4	Very low	159 Å²	159	155 Å²	155	82%	0.815	78%	0.781	S	S	*	*			trans	-144.4	124.7	135.6	-62.9	-171.3	0	0	0	108.9	V16	I14-V16 HydrophobicContact CG2-CG2 4.17Å
15	Q	28.2	Very low	33	Very low	167 Å²	167	154.6 Å²	154.6	78%	0.78	78%	0.783	S	S	*	*			trans	-74.6	111.4	172.2	-173.3	97.9	3.9	0	0	109.5
16	V	34	Very low	32.7	Very low	116 Å²	116	156.8 Å²	156.8	70%	0.703	79%	0.786	S	S	*	*			trans	-139.2	125.4	159.7	178.8	0	0	0	0	109.3	I14 I18	I14-V16 HydrophobicContact CG2-CG2 4.17Å; V16-I18 PolarHBondContact O-N 3.08Å
17	V	30.4	Very low	32.4	Very low	132 Å²	132	158.8 Å²	158.8	80%	0.8	79%	0.794	S	S	*	*			trans	-58.9	117.8	175.8	174.7	0	0	0	0	110
18	I	35.2	Very low	32.7	Very low	154 Å²	154	153.8 Å²	153.8	79%	0.79	78%	0.778	S	S	*	*			trans	-132.4	131.1	162.4	-61.7	-177.8	0	0	0	108.5	V16	V16-I18 PolarHBondContact O-N 3.08Å
19	D	31	Very low	33.3	Very low	119 Å²	119	153.9 Å²	153.9	64%	0.636	78%	0.779	S	S	*	*			trans	-59.3	136.8	-164.4	-155.7	-12.1	0	0	0	114.1	R21	D19-R21 PolarHBondContact O-N 3.17Å
20	T	30.9	Very low	34.9	Very low	138 Å²	138	150.3 Å²	150.3	85%	0.847	76%	0.761	S	S	*	*	S	Bend	trans	-92.1	70.5	-178.4	36.6	0	0	0	0	109.5
21	R	31.7	Very low	37.1	Very low	216 Å²	216	145.9 Å²	145.9	82%	0.815	73%	0.732	S	S	*	*			trans	-138.2	-1.4	-179.5	-72	-170.1	-174.3	-169	2.2	118.9	D19	D19-R21 PolarHBondContact O-N 3.17Å
22	E	32.4	Very low	39.6	Very low	191 Å²	191	149.4 Å²	149.4	89%	0.893	74%	0.741	S	S	*	*	S	Bend	trans	-124.9	16.5	-169.8	-89.6	-169.8	156.7	0	0	118.6
23	I	33.1	Very low	42.4	Very low	166 Å²	166	140.6 Å²	140.6	85%	0.851	71%	0.712	S	S	*	*			trans	-132.4	60.3	179.3	-46.3	179.4	0	0	0	112.2
24	R	29.8	Very low	45.5	Very low	237 Å²	237	134.9 Å²	134.9	89%	0.894	69%	0.688	S	S	*	*			trans	-142.1	57.8	161.2	-77.6	-168.2	178.7	-179.5	-0.1	110.9	L26	R24-L26 PolarHBondContact O-N 2.72Å
25	S	29	Very low	48.4	Very low	122 Å²	122	130.1 Å²	130.1	85%	0.853	67%	0.669	S	S	*	*			trans	-91	76	162.2	-177.4	0	0	0	0	108.5	C27	S25-C27 PolarHBondContact O-N 2.67Å
26	L	33.1	Very low	51.8	Low	148 Å²	148	122.5 Å²	122.5	78%	0.775	63%	0.633	S	S	*	*			trans	-80.3	111.1	168.3	-88.7	155.6	0	0	0	107.4	R24 T28	R24-L26 PolarHBondContact O-N 2.72Å; L26-T28 PolarHBondContact O-N 3.1Å; L26-T28 PolarHBondContact O-OG1 3.47Å; L26-T28 VanDerWaalsContact O-OG1 3.04Å
27	C	31.3	Very low	54.8	Low	124 Å²	124	122.6 Å²	122.6	84%	0.838	63%	0.626	S	S	*	*			trans	-50.1	97.8	-178.1	-142.1	0	0	0	0	111.1	S25 I29	S25-C27 PolarHBondContact O-N 2.67Å; C27-I29 PolarHBondContact O-N 3.39Å
28	T	42.1	Very low	58.1	Low	78 Å²	78	120.1 Å²	120.1	48%	0.479	61%	0.609	S	S	.	*			trans	-88.7	103.8	179.2	-34.3	0	0	0	0	108	L26 R30 T168	L26-T28 PolarHBondContact O-N 3.1Å; L26-T28 PolarHBondContact O-OG1 3.47Å; L26-T28 VanDerWaalsContact O-OG1 3.04Å; T28-R30 PolarHBondContact O-N 3.16Å; T28-T168 HydrophobicContact CG2-CG2 3.2Å
29	I	51.2	Low	61.1	Low	137 Å²	137	112.8 Å²	112.8	70%	0.703	57%	0.571	S	S	*	*			trans	-71	93.4	-178.8	-56.8	174.8	0	0	0	108.7	C27	C27-I29 PolarHBondContact O-N 3.39Å
30	R	65.2	Low	64.3	Low	106 Å²	106	107.9 Å²	107.9	40%	0.4	54%	0.544	S	S	.	.			trans	-89.6	158.1	169.8	-64.8	-178.2	-178.9	-152.2	-4.1	109.9	T28 Q32 L72	T28-R30 PolarHBondContact O-N 3.16Å; R30-Q32 PolarHBondContact O-N 3.1Å; R30-Q32 VanDerWaalsContact O-N 3.08Å; R30-L72 PolarHBondContact NH1-O 3Å
31	M	82.5	Confident	67.5	Low	26 Å²	26	103.4 Å²	103.4	13%	0.128	52%	0.521	C	S	.	.			trans	-58.3	114.9	178.2	-170.5	172.2	75.9	0	0	110.9	V33 Q78 P165 G226 I229	M31-V33 HydrophobicContact CE-CG1 3.64Å; M31-V33 HydrophobicContact CG-CG1 4.03Å; M31-V33 HydrophobicContact SD-CG1 4.3Å; M31-Q78 HydrophobicContact CE-CB 3.52Å; M31-Q78 HydrophobicContact CE-CG 3.61Å; M31-Q78 PolarHBondContact O-NE2 2.93Å; M31-P165 HydrophobicContact CB-CB 4.3Å; M31-P165 HydrophobicContact CE-CB 3.76Å; M31-P165 HydrophobicContact CE-CG 3.6Å; M31-P165 HydrophobicContact SD-CB 4.43Å; M31-P165 HydrophobicContact SD-CG 4.2Å; M31-G226 WeakPolarHBondContact SD-CA 3.38Å; M31-I229 HydrophobicContact CB-CD1 3.62Å; M31-I229 HydrophobicContact CG-CD1 3.96Å; M31-I229 HydrophobicContact SD-CD1 4.2Å
32	Q	83.7	Confident	70.7	Confident	194 Å²	194	97.1 Å²	97.1	91%	0.907	50%	0.5	S	S	*	.			trans	-85.2	129.8	171.1	-66.1	-171.8	-6.4	0	0	109.3	R30	R30-Q32 PolarHBondContact O-N 3.1Å; R30-Q32 VanDerWaalsContact O-N 3.08Å
33	V	90.5	Very high	73.8	Confident	43 Å²	43	88.1 Å²	88.1	26%	0.261	46%	0.458	S	S	.	.			trans	-132.7	161.2	178.1	-66.7	0	0	0	0	109.8	M31 A77 Q78 N81	M31-V33 HydrophobicContact CE-CG1 3.64Å; M31-V33 HydrophobicContact CG-CG1 4.03Å; M31-V33 HydrophobicContact SD-CG1 4.3Å; V33-A77 HydrophobicContact CG2-CB 3.69Å; V33-Q78 HydrophobicContact CG1-CG 4.26Å; V33-Q78 HydrophobicContact CG2-CG 3.78Å; V33-N81 HydrophobicContact CG1-CB 3.93Å
34	E	95.1	Very high	76.9	Confident	59 Å²	59	84.9 Å²	84.9	28%	0.276	44%	0.435	S	S	.	.			trans	-60.5	165.7	170.9	-67.7	177.1	-89.7	0	0	112	N38 L39 K42 Y85	E34-N38 HydrophobicContact CB-CB 4.15Å; E34-L39 HydrophobicContact CB-CD2 4.05Å; E34-L39 HydrophobicContact CB-CG 4.13Å; E34-K42 VanDerWaalsContact CD-NZ 3.32Å; E34-K42 WeakPolarHBondContact OE1-CE 3.49Å; E34-K42 IonicContact OE1-NZ 3.63Å; E34-K42 PolarHBondContact OE1-NZ 3.44Å; E34-K42 WeakPolarHBondContact OE2-CE 3.28Å; E34-K42 IonicContact OE2-NZ 3.4Å; E34-K42 PolarHBondContact OE2-NZ 3.27Å; E34-Y85 PolarHBondContact OE1-OH 3.49Å
35	S	97.1	Very high	80.1	Confident	60 Å²	60	80 Å²	80	42%	0.42	43%	0.426	S	S	.	.			trans	-57.9	148.8	172.9	73.6	0	0	0	0	110.8	Q37 N38 L39	S35-Q37 PolarHBondContact O-N 3.02Å; S35-N38 PolarHBondContact O-N 3.21Å; S35-N38 VanDerWaalsContact O-N 3.07Å; S35-N38 WeakPolarHBondContact OG-CB 3.49Å; S35-N38 PolarHBondContact OG-N 3.3Å; S35-N38 PolarHBondContact OG-OD1 3.03Å; S35-L39 PolarHBondContact O-N 2.91Å; S35-L39 VanDerWaalsContact O-N 3.1Å
36	L	98.3	Very high	83.3	Confident	7 Å²	7	75.4 Å²	75.4	4%	0.037	39%	0.392	C	S	.	.	H	α-helix	trans	-55.5	-36.4	177.8	-177.2	61.4	0	0	0	112	L39 Q40 L57 V62 Q66 L76 A77 V80	L36-L39 PolarHBondContact O-N 3.32Å; L36-Q40 WeakPolarHBondContact O-CB 3.16Å; L36-Q40 PolarHBondContact O-N 2.99Å; L36-L57 HydrophobicContact CD1-CD1 4.13Å; L36-L57 HydrophobicContact CD1-CD2 4.48Å; L36-V62 HydrophobicContact CB-CG1 4.49Å; L36-V62 HydrophobicContact CD2-CB 4.3Å; L36-V62 HydrophobicContact CD2-CG1 4.16Å; L36-V62 HydrophobicContact CD2-CG2 4.25Å; L36-V62 HydrophobicContact CG-CB 4.49Å; L36-V62 HydrophobicContact CG-CG1 4.13Å; L36-V62 HydrophobicContact CG-CG2 4.09Å; L36-Q66 HydrophobicContact CB-CB 4.5Å; L36-Q66 HydrophobicContact CD2-CB 4.36Å; L36-L76 HydrophobicContact CD1-CB 4.32Å; L36-L76 HydrophobicContact CD1-CD2 4.37Å; L36-L76 HydrophobicContact CD1-CG 3.99Å; L36-L76 HydrophobicContact CD2-CB 4.2Å; L36-L76 HydrophobicContact CD2-CD2 3.9Å; L36-L76 HydrophobicContact CD2-CG 4.21Å; L36-A77 HydrophobicContact CB-CB 4.21Å; L36-A77 HydrophobicContact CD1-CB 4.4Å; L36-V80 HydrophobicContact CD1-CG2 3.8Å
37	Q	97.9	Very high	86.3	Confident	117 Å²	117	76.7 Å²	76.7	55%	0.547	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-42	177.6	-171.9	176.7	3.4	0	0	112.4	S35 Q40 A41 V62	S35-Q37 PolarHBondContact O-N 3.02Å; Q37-Q40 PolarHBondContact O-N 2.78Å; Q37-A41 PolarHBondContact O-N 3.22Å; Q37-V62 HydrophobicContact CB-CG1 4.22Å
38	N	98.1	Very high	89.4	Confident	81 Å²	81	79 Å²	79	43%	0.433	39%	0.386	S	S	.	.	H	α-helix	trans	-65.3	-42.8	176.8	-72.7	7.5	0	0	0	111.3	E34 S35 Q40 A41 K42	E34-N38 HydrophobicContact CB-CB 4.15Å; S35-N38 PolarHBondContact O-N 3.21Å; S35-N38 VanDerWaalsContact O-N 3.07Å; S35-N38 WeakPolarHBondContact OG-CB 3.49Å; S35-N38 PolarHBondContact OG-N 3.3Å; S35-N38 PolarHBondContact OG-OD1 3.03Å; N38-Q40 VanDerWaalsContact C-N 3.34Å; N38-Q40 PolarHBondContact O-N 2.89Å; N38-A41 PolarHBondContact O-N 2.89Å; N38-K42 WeakPolarHBondContact O-CG 3.33Å; N38-K42 PolarHBondContact O-N 3.24Å
39	L	98.5	Very high	91.9	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62.3	-42.1	176.8	-64.6	175.8	0	0	0	111.3	E34 S35 L36 A41 K42 I43 A77 V80 N81 A84 Y85	E34-L39 HydrophobicContact CB-CD2 4.05Å; E34-L39 HydrophobicContact CB-CG 4.13Å; S35-L39 PolarHBondContact O-N 2.91Å; S35-L39 VanDerWaalsContact O-N 3.1Å; L36-L39 PolarHBondContact O-N 3.32Å; L39-A41 PolarHBondContact O-N 3.36Å; L39-K42 PolarHBondContact O-N 3.38Å; L39-I43 WeakPolarHBondContact O-CB 3.34Å; L39-I43 WeakPolarHBondContact O-CD1 3.15Å; L39-I43 WeakPolarHBondContact O-CG1 3.34Å; L39-I43 PolarHBondContact O-N 3.38Å; L39-A77 HydrophobicContact CD1-CB 3.94Å; L39-A77 WeakPolarHBondContact CD1-O 3.47Å; L39-V80 HydrophobicContact CB-CG2 4.3Å; L39-V80 HydrophobicContact CD1-CG2 4.05Å; L39-N81 HydrophobicContact CD1-CB 4.33Å; L39-A84 HydrophobicContact CD2-CB 3.78Å; L39-Y85 HydrophobicContact CD2-CE2 4.44Å
40	Q	98.6	Very high	94.1	Very high	16 Å²	16	76.2 Å²	76.2	8%	0.075	36%	0.364	C	S	.	.	H	α-helix	trans	-59.4	-46.8	174.9	-172.6	-155.8	31.6	0	0	111.7	L36 Q37 N38 K42 I43 R44 L57 D59 V62	L36-Q40 WeakPolarHBondContact O-CB 3.16Å; L36-Q40 PolarHBondContact O-N 2.99Å; Q37-Q40 PolarHBondContact O-N 2.78Å; N38-Q40 VanDerWaalsContact C-N 3.34Å; N38-Q40 PolarHBondContact O-N 2.89Å; Q40-K42 PolarHBondContact O-N 3.35Å; Q40-I43 PolarHBondContact O-N 2.73Å; Q40-R44 VanDerWaalsContact NE2-CZ 3.31Å; Q40-R44 WeakPolarHBondContact O-CB 3.37Å; Q40-R44 PolarHBondContact O-N 3.23Å; Q40-L57 HydrophobicContact CB-CD2 3.9Å; Q40-L57 HydrophobicContact CB-CG 4.34Å; Q40-L57 HydrophobicContact CG-CD2 4.09Å; Q40-L57 HydrophobicContact CG-CG 4.09Å; Q40-L57 PolarHBondContact NE2-O 3.1Å; Q40-D59 PolarHBondContact NE2-OD1 3.28Å; Q40-V62 HydrophobicContact CB-CG2 4.07Å; Q40-V62 HydrophobicContact CG-CG2 4.05Å
41	A	98.2	Very high	95.6	Very high	44 Å²	44	71.4 Å²	71.4	36%	0.364	35%	0.346	S	S	.	.	H	α-helix	trans	-60.3	-44.6	178.7	0	0	0	0	0	111.8	Q37 N38 L39 R44 N45	Q37-A41 PolarHBondContact O-N 3.22Å; N38-A41 PolarHBondContact O-N 2.89Å; L39-A41 PolarHBondContact O-N 3.36Å; A41-R44 PolarHBondContact O-N 2.64Å; A41-N45 VanDerWaalsContact O-CB 3.3Å; A41-N45 WeakPolarHBondContact O-CB 3.24Å; A41-N45 PolarHBondContact O-N 3.09Å; A41-N45 PolarHBondContact O-ND2 3.29Å
42	K	98.3	Very high	96.4	Very high	83 Å²	83	70.9 Å²	70.9	36%	0.361	34%	0.344	S	S	.	.	H	α-helix	trans	-59.2	-48.1	175.2	-73.7	-177.5	174.5	-171.8	0	112.3	E34 N38 L39 Q40 R44 D46 A84 Y85	E34-K42 VanDerWaalsContact CD-NZ 3.32Å; E34-K42 WeakPolarHBondContact OE1-CE 3.49Å; E34-K42 IonicContact OE1-NZ 3.63Å; E34-K42 PolarHBondContact OE1-NZ 3.44Å; E34-K42 WeakPolarHBondContact OE2-CE 3.28Å; E34-K42 IonicContact OE2-NZ 3.4Å; E34-K42 PolarHBondContact OE2-NZ 3.27Å; N38-K42 WeakPolarHBondContact O-CG 3.33Å; N38-K42 PolarHBondContact O-N 3.24Å; L39-K42 PolarHBondContact O-N 3.38Å; Q40-K42 PolarHBondContact O-N 3.35Å; K42-R44 PolarHBondContact O-N 2.65Å; K42-D46 PolarHBondContact O-N 2.72Å; K42-A84 HydrophobicContact CB-CB 4.14Å; K42-A84 HydrophobicContact CD-CB 4.43Å; K42-Y85 PolarHBondContact NZ-OH 2.62Å
43	I	98.4	Very high	97.1	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-41.6	-179.7	-69.5	165.9	0	0	0	111.3	L39 Q40 T53 K54 L57 N83 A84	L39-I43 WeakPolarHBondContact O-CB 3.34Å; L39-I43 WeakPolarHBondContact O-CD1 3.15Å; L39-I43 WeakPolarHBondContact O-CG1 3.34Å; L39-I43 PolarHBondContact O-N 3.38Å; Q40-I43 PolarHBondContact O-N 2.73Å; I43-T53 HydrophobicContact CD1-CG2 3.93Å; I43-K54 HydrophobicContact CG2-CB 3.48Å; I43-K54 VanDerWaalsContact CG2-CB 3.48Å; I43-K54 HydrophobicContact CG2-CD 4.41Å; I43-K54 HydrophobicContact CG2-CG 3.88Å; I43-K54 WeakPolarHBondContact O-CD 3.48Å; I43-L57 HydrophobicContact CD1-CD2 4.24Å; I43-N83 HydrophobicContact CD1-CB 3.95Å; I43-N83 HydrophobicContact CG1-CB 4.32Å; I43-A84 HydrophobicContact CD1-CB 4.33Å; I43-A84 HydrophobicContact CG1-CB 3.93Å
44	R	98	Very high	97.5	Very high	99 Å²	99	62.2 Å²	62.2	37%	0.374	30%	0.299	S	S	.	.	H	α-helix	trans	-70.4	-42.9	-179.3	-78.6	-174.4	170.1	177.4	0.4	112.8	Q40 A41 K42 D46 K54 D59	Q40-R44 VanDerWaalsContact NE2-CZ 3.31Å; Q40-R44 WeakPolarHBondContact O-CB 3.37Å; Q40-R44 PolarHBondContact O-N 3.23Å; A41-R44 PolarHBondContact O-N 2.64Å; K42-R44 PolarHBondContact O-N 2.65Å; R44-D46 VanDerWaalsContact C-N 3.3Å; R44-D46 PolarHBondContact O-N 3.19Å; R44-K54 WeakPolarHBondContact O-CE 3.22Å; R44-K54 PolarHBondContact O-NZ 3.01Å; R44-D59 IonicContact CZ-OD1 2.71Å; R44-D59 VanDerWaalsContact CZ-OD1 3.32Å; R44-D59 IonicContact NH1-OD1 3.34Å; R44-D59 PolarHBondContact NH1-OD1 3.4Å; R44-D59 IonicContact NH1-OD2 2.76Å; R44-D59 IonicContact NH2-OD1 2.99Å; R44-D59 PolarHBondContact NH2-OD1 3.45Å
45	N	97.7	Very high	97.7	Very high	134 Å²	134	65.2 Å²	65.2	72%	0.717	31%	0.312	S	S	*	.	H	α-helix	trans	-75.5	-15.5	-176.9	-66.7	-11.8	0	0	0	113.5	A41 E47	A41-N45 VanDerWaalsContact O-CB 3.3Å; A41-N45 WeakPolarHBondContact O-CB 3.24Å; A41-N45 PolarHBondContact O-N 3.09Å; A41-N45 PolarHBondContact O-ND2 3.29Å; N45-E47 PolarHBondContact O-N 3.33Å
46	D	96.2	Very high	97.8	Very high	26 Å²	26	65.1 Å²	65.1	14%	0.139	30%	0.302	C	S	.	.			trans	-80.3	106.2	173.2	-166.4	-18.4	0	0	0	110.7	K42 R44 R48 N49 K54	K42-D46 PolarHBondContact O-N 2.72Å; R44-D46 VanDerWaalsContact C-N 3.3Å; R44-D46 PolarHBondContact O-N 3.19Å; D46-R48 PolarHBondContact O-N 3.45Å; D46-R48 VanDerWaalsContact OD1-CB 3.25Å; D46-R48 WeakPolarHBondContact OD1-CB 3.34Å; D46-R48 WeakPolarHBondContact OD1-CG 3.15Å; D46-R48 IonicContact OD1-CZ 3.75Å; D46-R48 PolarHBondContact OD1-N 3.07Å; D46-R48 IonicContact OD1-NE 2.65Å; D46-R48 PolarHBondContact OD1-NE 3.35Å; D46-R48 IonicContact OD1-NH2 3.93Å; D46-R48 IonicContact OD2-CZ 2.73Å; D46-R48 IonicContact OD2-NE 3.52Å; D46-R48 PolarHBondContact OD2-NE 3.37Å; D46-R48 IonicContact OD2-NH2 2.84Å; D46-R48 PolarHBondContact OD2-NH2 3.42Å; D46-N49 HydrophobicContact CB-CB 4.02Å; D46-N49 WeakPolarHBondContact O-CB 3.48Å; D46-N49 PolarHBondContact O-N 2.97Å; D46-N49 VanDerWaalsContact O-N 3.07Å; D46-K54 PolarHBondContact O-NZ 3.04Å
47	E	95.1	Very high	97.8	Very high	174 Å²	174	64.9 Å²	64.9	81%	0.813	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.2	177.4	-66.5	-178.3	172.4	0	0	113	N45 N49 H50	N45-E47 PolarHBondContact O-N 3.33Å; E47-N49 VanDerWaalsContact C-N 3.27Å; E47-N49 PolarHBondContact O-N 2.76Å; E47-H50 PolarHBondContact O-NE2 3.03Å
48	R	95.8	Very high	97.8	Very high	174 Å²	174	61.7 Å²	61.7	66%	0.657	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-16.6	179.3	-51.2	167	-62.7	172.2	5.1	112.1	D46 H50 P87	D46-R48 PolarHBondContact O-N 3.45Å; D46-R48 VanDerWaalsContact OD1-CB 3.25Å; D46-R48 WeakPolarHBondContact OD1-CB 3.34Å; D46-R48 WeakPolarHBondContact OD1-CG 3.15Å; D46-R48 IonicContact OD1-CZ 3.75Å; D46-R48 PolarHBondContact OD1-N 3.07Å; D46-R48 IonicContact OD1-NE 2.65Å; D46-R48 PolarHBondContact OD1-NE 3.35Å; D46-R48 IonicContact OD1-NH2 3.93Å; D46-R48 IonicContact OD2-CZ 2.73Å; D46-R48 IonicContact OD2-NE 3.52Å; D46-R48 PolarHBondContact OD2-NE 3.37Å; D46-R48 IonicContact OD2-NH2 2.84Å; D46-R48 PolarHBondContact OD2-NH2 3.42Å; R48-H50 PolarHBondContact O-CD2 2.83Å; R48-P87 HydrophobicContact CB-CB 4.03Å; R48-P87 HydrophobicContact CB-CG 4.3Å
49	N	95.6	Very high	97.8	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	29%	0.293	C	S	.	.			trans	-85	116.3	-176.4	-164.4	-42.1	0	0	0	110.3	D46 E47 S51 K54 N83 P87	D46-N49 HydrophobicContact CB-CB 4.02Å; D46-N49 WeakPolarHBondContact O-CB 3.48Å; D46-N49 PolarHBondContact O-N 2.97Å; D46-N49 VanDerWaalsContact O-N 3.07Å; E47-N49 VanDerWaalsContact C-N 3.27Å; E47-N49 PolarHBondContact O-N 2.76Å; N49-S51 VanDerWaalsContact OD1-CB 3.23Å; N49-S51 WeakPolarHBondContact OD1-CB 3.36Å; N49-S51 PolarHBondContact OD1-N 2.92Å; N49-S51 PolarHBondContact OD1-OG 3.05Å; N49-K54 HydrophobicContact CB-CD 4.21Å; N49-K54 WeakPolarHBondContact O-CD 3.47Å; N49-K54 WeakPolarHBondContact O-CE 3.49Å; N49-K54 PolarHBondContact O-NZ 3.11Å; N49-N83 PolarHBondContact ND2-O 2.76Å; N49-P87 HydrophobicContact CB-CB 3.89Å
50	H	96.7	Very high	97.8	Very high	155 Å²	155	68.3 Å²	68.3	72%	0.718	33%	0.325	S	S	*	.			trans	-122.1	26.9	174.9	-58.6	-72	0	0	0	111.6	E47 R48	E47-H50 PolarHBondContact O-NE2 3.03Å; R48-H50 PolarHBondContact O-CD2 2.83Å
51	S	98.3	Very high	97.8	Very high	4 Å²	4	68.2 Å²	68.2	3%	0.028	33%	0.325	C	S	.	.			trans	-67.2	154.9	-176.9	65	0	0	0	0	113	N49 T53 K54 K55 A89	N49-S51 VanDerWaalsContact OD1-CB 3.23Å; N49-S51 WeakPolarHBondContact OD1-CB 3.36Å; N49-S51 PolarHBondContact OD1-N 2.92Å; N49-S51 PolarHBondContact OD1-OG 3.05Å; S51-T53 PolarHBondContact O-N 2.82Å; S51-K54 WeakPolarHBondContact O-CB 3.18Å; S51-K54 PolarHBondContact O-N 2.95Å; S51-K54 VanDerWaalsContact O-N 3.12Å; S51-K54 PolarHBondContact OG-N 3.48Å; S51-K55 PolarHBondContact O-N 2.8Å; S51-K55 VanDerWaalsContact O-N 3.15Å; S51-A89 WeakPolarHBondContact CB-O 3.35Å
52	L	98.6	Very high	97.8	Very high	15 Å²	15	66.5 Å²	66.5	8%	0.079	31%	0.31	C	S	.	.	H	α-helix	trans	-65.2	-25.4	167.9	-64.1	-174.7	0	0	0	111.3	K55 Y56 L90 L91 V110 D113	L52-K55 HydrophobicContact CD2-CD 4.1Å; L52-K55 PolarHBondContact O-N 3.15Å; L52-Y56 HydrophobicContact CB-CD2 4.29Å; L52-Y56 HydrophobicContact CD2-CE2 4.27Å; L52-Y56 VanDerWaalsContact O-CD2 3.3Å; L52-Y56 WeakPolarHBondContact O-CD2 3.35Å; L52-Y56 PolarHBondContact O-N 3.27Å; L52-L90 HydrophobicContact CG-CD1 4.07Å; L52-L90 HydrophobicContact CG-CG 4.38Å; L52-L90 PolarHBondContact N-O 3.33Å; L52-L91 HydrophobicContact CB-CD2 4.47Å; L52-L91 HydrophobicContact CD1-CD2 3.91Å; L52-V110 HydrophobicContact CB-CG1 4.25Å; L52-V110 HydrophobicContact CB-CG2 4.45Å; L52-V110 HydrophobicContact CD1-CG1 4.49Å; L52-D113 HydrophobicContact CD1-CB 4.08Å; L52-D113 HydrophobicContact CD2-CB 4.4Å; L52-D113 WeakPolarHBondContact CD2-OD2 3.3Å
53	T	98.8	Very high	97.8	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-58.1	-49.7	168.4	-57.2	0	0	0	0	110.9	I43 S51 K55 Y56 L57 V80 N83 P92 F106	I43-T53 HydrophobicContact CD1-CG2 3.93Å; S51-T53 PolarHBondContact O-N 2.82Å; T53-K55 VanDerWaalsContact C-N 3.31Å; T53-K55 PolarHBondContact O-N 2.81Å; T53-Y56 PolarHBondContact O-N 3.39Å; T53-L57 HydrophobicContact CG2-CD2 4.4Å; T53-L57 WeakPolarHBondContact O-CB 3.43Å; T53-L57 PolarHBondContact O-N 3.22Å; T53-V80 HydrophobicContact CG2-CB 3.82Å; T53-V80 HydrophobicContact CG2-CG1 3.73Å; T53-N83 WeakPolarHBondContact CB-OD1 3.36Å; T53-N83 HydrophobicContact CG2-CB 4.01Å; T53-N83 VanDerWaalsContact OG1-CG 3.24Å; T53-N83 PolarHBondContact OG1-OD1 2.89Å; T53-P92 VanDerWaalsContact OG1-CD 3.31Å; T53-P92 WeakPolarHBondContact OG1-CD 3.44Å; T53-F106 HydrophobicContact CG2-CE2 4.48Å; T53-F106 HydrophobicContact CG2-CZ 4.13Å
54	K	98.6	Very high	97.8	Very high	55 Å²	55	75.2 Å²	75.2	24%	0.239	35%	0.348	C	S	.	.	H	α-helix	trans	-59.3	-41.9	176.1	-175.1	174.7	179.9	164.5	0	112	I43 R44 D46 N49 S51	I43-K54 HydrophobicContact CG2-CB 3.48Å; I43-K54 VanDerWaalsContact CG2-CB 3.48Å; I43-K54 HydrophobicContact CG2-CD 4.41Å; I43-K54 HydrophobicContact CG2-CG 3.88Å; I43-K54 WeakPolarHBondContact O-CD 3.48Å; R44-K54 WeakPolarHBondContact O-CE 3.22Å; R44-K54 PolarHBondContact O-NZ 3.01Å; D46-K54 PolarHBondContact O-NZ 3.04Å; N49-K54 HydrophobicContact CB-CD 4.21Å; N49-K54 WeakPolarHBondContact O-CD 3.47Å; N49-K54 WeakPolarHBondContact O-CE 3.49Å; N49-K54 PolarHBondContact O-NZ 3.11Å; S51-K54 WeakPolarHBondContact O-CB 3.18Å; S51-K54 PolarHBondContact O-N 2.95Å; S51-K54 VanDerWaalsContact O-N 3.12Å; S51-K54 PolarHBondContact OG-N 3.48Å
55	K	98.6	Very high	97.9	Very high	123 Å²	123	71.2 Å²	71.2	54%	0.535	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-41.6	-179.4	-172.9	177.5	177.4	-173.4	0	112.8	S51 L52 T53 D113	S51-K55 PolarHBondContact O-N 2.8Å; S51-K55 VanDerWaalsContact O-N 3.15Å; L52-K55 HydrophobicContact CD2-CD 4.1Å; L52-K55 PolarHBondContact O-N 3.15Å; T53-K55 VanDerWaalsContact C-N 3.31Å; T53-K55 PolarHBondContact O-N 2.81Å; K55-D113 IonicContact NZ-OD2 3.67Å; K55-D113 PolarHBondContact NZ-OD2 3.03Å
56	Y	98.8	Very high	97.9	Very high	57 Å²	57	69.9 Å²	69.9	22%	0.224	32%	0.323	C	S	.	.	H	α-helix	trans	-108.4	-8.4	-170.2	-65.4	-64.6	0	0	0	115.4	L52 T53 T58 A109 V110 D113	L52-Y56 HydrophobicContact CB-CD2 4.29Å; L52-Y56 HydrophobicContact CD2-CE2 4.27Å; L52-Y56 VanDerWaalsContact O-CD2 3.3Å; L52-Y56 WeakPolarHBondContact O-CD2 3.35Å; L52-Y56 PolarHBondContact O-N 3.27Å; T53-Y56 PolarHBondContact O-N 3.39Å; Y56-T58 PolarHBondContact O-N 2.96Å; Y56-A109 HydrophobicContact CD1-CB 3.52Å; Y56-A109 HydrophobicContact CD2-CB 4.32Å; Y56-A109 HydrophobicContact CE1-CB 3.78Å; Y56-A109 HydrophobicContact CG-CB 3.82Å; Y56-V110 HydrophobicContact CD2-CG2 3.83Å; Y56-V110 HydrophobicContact CG-CG2 4.31Å; Y56-D113 HydrophobicContact CE2-CB 3.81Å; Y56-D113 WeakPolarHBondContact CE2-OD2 3.25Å; Y56-D113 PolarHBondContact OH-OD2 2.93Å
57	L	98.7	Very high	97.9	Very high	2 Å²	2	72.4 Å²	72.4	1%	0.01	35%	0.347	C	S	.	.			trans	-80.9	68.7	173.8	-168	64.6	0	0	0	110.8	L36 Q40 I43 T53 I61 V62 L76 V80 F106	L36-L57 HydrophobicContact CD1-CD1 4.13Å; L36-L57 HydrophobicContact CD1-CD2 4.48Å; Q40-L57 HydrophobicContact CB-CD2 3.9Å; Q40-L57 HydrophobicContact CB-CG 4.34Å; Q40-L57 HydrophobicContact CG-CD2 4.09Å; Q40-L57 HydrophobicContact CG-CG 4.09Å; Q40-L57 PolarHBondContact NE2-O 3.1Å; I43-L57 HydrophobicContact CD1-CD2 4.24Å; T53-L57 HydrophobicContact CG2-CD2 4.4Å; T53-L57 WeakPolarHBondContact O-CB 3.43Å; T53-L57 PolarHBondContact O-N 3.22Å; L57-I61 HydrophobicContact CD1-CG2 3.84Å; L57-V62 HydrophobicContact CD1-CG2 4.14Å; L57-V62 HydrophobicContact CG-CG2 4.16Å; L57-L76 HydrophobicContact CD1-CD2 4.2Å; L57-V80 HydrophobicContact CD2-CB 4.49Å; L57-V80 HydrophobicContact CD2-CG1 4.45Å; L57-V80 HydrophobicContact CD2-CG2 4.16Å; L57-F106 HydrophobicContact CB-CE2 4.18Å; L57-F106 HydrophobicContact CD1-CD2 4.48Å; L57-F106 HydrophobicContact CD1-CE2 4.4Å
58	T	98.5	Very high	98.1	Very high	50 Å²	50	66.4 Å²	66.4	31%	0.307	32%	0.322	S	S	.	.			trans	-75	166.4	-179.8	70	0	0	0	0	112.5	Y56 D60 I61 V62	Y56-T58 PolarHBondContact O-N 2.96Å; T58-D60 PolarHBondContact O-N 2.7Å; T58-I61 PolarHBondContact O-N 3.2Å; T58-I61 VanDerWaalsContact O-N 3.13Å; T58-I61 WeakPolarHBondContact OG1-CG1 3.42Å; T58-I61 PolarHBondContact OG1-N 3.2Å; T58-V62 WeakPolarHBondContact O-CG2 3.32Å; T58-V62 PolarHBondContact O-N 2.98Å
59	D	98.5	Very high	98.2	Very high	93 Å²	93	63.2 Å²	63.2	50%	0.497	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-34.8	177.8	-60.4	-8.7	0	0	0	110.8	Q40 R44 V62 K63	Q40-D59 PolarHBondContact NE2-OD1 3.28Å; R44-D59 IonicContact CZ-OD1 2.71Å; R44-D59 VanDerWaalsContact CZ-OD1 3.32Å; R44-D59 IonicContact NH1-OD1 3.34Å; R44-D59 PolarHBondContact NH1-OD1 3.4Å; R44-D59 IonicContact NH1-OD2 2.76Å; R44-D59 IonicContact NH2-OD1 2.99Å; R44-D59 PolarHBondContact NH2-OD1 3.45Å; D59-V62 PolarHBondContact O-N 2.8Å; D59-K63 VanDerWaalsContact O-CB 3.31Å; D59-K63 WeakPolarHBondContact O-CB 3.25Å; D59-K63 PolarHBondContact O-N 2.81Å
60	D	98.5	Very high	98.3	Very high	127 Å²	127	63.6 Å²	63.6	68%	0.679	32%	0.315	S	S	*	.	H	α-helix	trans	-63.7	-42.3	173.7	-65.1	-33.1	0	0	0	112.1	T58 K63 K64	T58-D60 PolarHBondContact O-N 2.7Å; D60-K63 PolarHBondContact O-N 2.96Å; D60-K64 VanDerWaalsContact O-CB 3.23Å; D60-K64 WeakPolarHBondContact O-CB 3.44Å; D60-K64 PolarHBondContact O-N 3.04Å
61	I	98.7	Very high	98.3	Very high	15 Å²	15	60.9 Å²	60.9	8%	0.077	31%	0.314	C	S	.	.	H	α-helix	trans	-64.1	-43.5	175.8	-68.5	-65.6	0	0	0	110.7	L57 T58 K64 Y65 L76 D105 F106	L57-I61 HydrophobicContact CD1-CG2 3.84Å; T58-I61 PolarHBondContact O-N 3.2Å; T58-I61 VanDerWaalsContact O-N 3.13Å; T58-I61 WeakPolarHBondContact OG1-CG1 3.42Å; T58-I61 PolarHBondContact OG1-N 3.2Å; I61-K64 PolarHBondContact O-N 3.23Å; I61-Y65 HydrophobicContact CD1-CE2 4.16Å; I61-Y65 HydrophobicContact CG2-CD2 4.05Å; I61-Y65 WeakPolarHBondContact O-CD2 3.36Å; I61-Y65 PolarHBondContact O-N 2.98Å; I61-L76 HydrophobicContact CG2-CD2 3.81Å; I61-D105 HydrophobicContact CD1-CB 3.6Å; I61-F106 HydrophobicContact CD1-CB 4.3Å; I61-F106 HydrophobicContact CG2-CB 3.96Å; I61-F106 HydrophobicContact CG2-CD2 4.26Å; I61-F106 HydrophobicContact CG2-CG 4.4Å
62	V	98.6	Very high	98.3	Very high	7 Å²	7	63.2 Å²	63.2	4%	0.042	33%	0.326	C	S	.	.	H	α-helix	trans	-62.4	-49.4	176.8	175.6	0	0	0	0	110.6	L36 Q37 Q40 L57 T58 D59 K64 Y65 Q66	L36-V62 HydrophobicContact CB-CG1 4.49Å; L36-V62 HydrophobicContact CD2-CB 4.3Å; L36-V62 HydrophobicContact CD2-CG1 4.16Å; L36-V62 HydrophobicContact CD2-CG2 4.25Å; L36-V62 HydrophobicContact CG-CB 4.49Å; L36-V62 HydrophobicContact CG-CG1 4.13Å; L36-V62 HydrophobicContact CG-CG2 4.09Å; Q37-V62 HydrophobicContact CB-CG1 4.22Å; Q40-V62 HydrophobicContact CB-CG2 4.07Å; Q40-V62 HydrophobicContact CG-CG2 4.05Å; L57-V62 HydrophobicContact CD1-CG2 4.14Å; L57-V62 HydrophobicContact CG-CG2 4.16Å; T58-V62 WeakPolarHBondContact O-CG2 3.32Å; T58-V62 PolarHBondContact O-N 2.98Å; D59-V62 PolarHBondContact O-N 2.8Å; V62-K64 VanDerWaalsContact C-N 3.29Å; V62-K64 PolarHBondContact O-N 2.83Å; V62-Y65 PolarHBondContact O-N 3.45Å; V62-Q66 VanDerWaalsContact O-CB 3.23Å; V62-Q66 WeakPolarHBondContact O-CB 3.39Å; V62-Q66 WeakPolarHBondContact O-CG 3.22Å; V62-Q66 PolarHBondContact O-N 3.22Å
63	K	98.3	Very high	98.2	Very high	164 Å²	164	63.7 Å²	63.7	71%	0.713	34%	0.335	S	S	*	.	H	α-helix	trans	-58.1	-41.3	178	-175.3	178.7	179.1	-178.9	0	112	D59 D60	D59-K63 VanDerWaalsContact O-CB 3.31Å; D59-K63 WeakPolarHBondContact O-CB 3.25Å; D59-K63 PolarHBondContact O-N 2.81Å; D60-K63 PolarHBondContact O-N 2.96Å
64	K	98.5	Very high	98.1	Very high	105 Å²	105	63.7 Å²	63.7	46%	0.457	34%	0.335	S	S	.	.	H	α-helix	trans	-68.1	-38.9	-179.8	-171.9	177.5	-176.2	-173.5	0	112.9	D60 I61 V62 T68 D105	D60-K64 VanDerWaalsContact O-CB 3.23Å; D60-K64 WeakPolarHBondContact O-CB 3.44Å; D60-K64 PolarHBondContact O-N 3.04Å; I61-K64 PolarHBondContact O-N 3.23Å; V62-K64 VanDerWaalsContact C-N 3.29Å; V62-K64 PolarHBondContact O-N 2.83Å; K64-T68 PolarHBondContact O-OG1 3.4Å; K64-D105 IonicContact NZ-OD1 2.72Å; K64-D105 PolarHBondContact NZ-OD1 3.05Å; K64-D105 IonicContact NZ-OD2 3.68Å; K64-D105 PolarHBondContact NZ-OD2 3.43Å
65	Y	98.6	Very high	98.1	Very high	14 Å²	14	62.1 Å²	62.1	6%	0.055	33%	0.329	C	S	.	.	H	α-helix	trans	-117.1	-4.1	-166.1	-64.2	-57.4	0	0	0	116.6	I61 V62 A67 T68 L76 T102 F103 D105	I61-Y65 HydrophobicContact CD1-CE2 4.16Å; I61-Y65 HydrophobicContact CG2-CD2 4.05Å; I61-Y65 WeakPolarHBondContact O-CD2 3.36Å; I61-Y65 PolarHBondContact O-N 2.98Å; V62-Y65 PolarHBondContact O-N 3.45Å; Y65-A67 PolarHBondContact O-N 3.4Å; Y65-A67 VanDerWaalsContact O-N 3.14Å; Y65-T68 HydrophobicContact CD1-CG2 4.26Å; Y65-T68 PolarHBondContact O-N 2.87Å; Y65-T68 VanDerWaalsContact O-N 3.12Å; Y65-L76 HydrophobicContact CD2-CD2 4.02Å; Y65-L76 HydrophobicContact CG-CD2 4.27Å; Y65-T102 WeakPolarHBondContact CE1-O 3.33Å; Y65-F103 AromaticContact CD1-CD1 3.63Å; Y65-F103 HydrophobicContact CD1-CD1 3.63Å; Y65-F103 HydrophobicContact CD1-CE1 4.31Å; Y65-F103 HydrophobicContact CD2-CD1 4.4Å; Y65-F103 HydrophobicContact CE1-CD1 4.2Å; Y65-F103 AromaticContact CG-CD1 3.74Å; Y65-F103 HydrophobicContact CG-CD1 3.74Å; Y65-F103 HydrophobicContact CG-CE1 4.5Å; Y65-D105 HydrophobicContact CE2-CB 4.21Å; Y65-D105 PolarHBondContact OH-OD1 3.41Å
66	Q	97.4	Very high	98.1	Very high	107 Å²	107	56.2 Å²	56.2	50%	0.5	30%	0.304	S	S	.	.	S	Bend	trans	-55.5	-33.7	-177.3	58.2	178.5	-9.3	0	0	114.6	L36 V62	L36-Q66 HydrophobicContact CB-CB 4.5Å; L36-Q66 HydrophobicContact CD2-CB 4.36Å; V62-Q66 VanDerWaalsContact O-CB 3.23Å; V62-Q66 WeakPolarHBondContact O-CB 3.39Å; V62-Q66 WeakPolarHBondContact O-CG 3.22Å; V62-Q66 PolarHBondContact O-N 3.22Å
67	A	97.1	Very high	98.1	Very high	79 Å²	79	54 Å²	54	65%	0.653	30%	0.297	S	S	*	.	S	Bend	trans	-97.2	-19.1	179.1	0	0	0	0	0	113.1	Y65 K69	Y65-A67 PolarHBondContact O-N 3.4Å; Y65-A67 VanDerWaalsContact O-N 3.14Å; A67-K69 PolarHBondContact O-NZ 3.11Å
68	T	98.3	Very high	98.1	Very high	48 Å²	48	54.5 Å²	54.5	29%	0.294	30%	0.299	S	S	.	.			trans	-65.1	144.9	-172.9	-52.9	0	0	0	0	111.9	K64 Y65 T102 F103	K64-T68 PolarHBondContact O-OG1 3.4Å; Y65-T68 HydrophobicContact CD1-CG2 4.26Å; Y65-T68 PolarHBondContact O-N 2.87Å; Y65-T68 VanDerWaalsContact O-N 3.12Å; T68-T102 HydrophobicContact CG2-CG2 3.64Å; T68-F103 HydrophobicContact CG2-CE1 4.03Å
69	K	98.2	Very high	98.1	Very high	107 Å²	107	52.1 Å²	52.1	47%	0.465	29%	0.285	S	S	.	.			trans	-126.8	143.1	177.1	-59.8	-69	168.6	-68.2	0	109.3	A67 G74 T75	A67-K69 PolarHBondContact O-NZ 3.11Å; K69-G74 CarbonylContact C-O 3.55Å; K69-G74 VanDerWaalsContact CA-O 3.29Å; K69-G74 WeakPolarHBondContact CA-O 3.4Å; K69-T75 HydrophobicContact CD-CG2 3.47Å; K69-T75 VanDerWaalsContact CD-CG2 3.47Å
70	T	98.3	Very high	98.1	Very high	8 Å²	8	47.7 Å²	47.7	5%	0.049	26%	0.261	C	S	.	.			trans	-68.6	170.5	167	68.8	0	0	0	0	110.1	L72 G73 G74 D96 A99 T102 F103	T70-L72 PolarHBondContact O-N 3.1Å; T70-L72 VanDerWaalsContact O-N 3.14Å; T70-L72 PolarHBondContact OG1-N 2.92Å; T70-G73 WeakPolarHBondContact O-CA 3.23Å; T70-G73 PolarHBondContact O-N 3.22Å; T70-G73 PolarHBondContact OG1-N 3.17Å; T70-G74 PolarHBondContact N-O 3.49Å; T70-G74 PolarHBondContact OG1-N 3.38Å; T70-D96 VanDerWaalsContact CB-OD2 3.32Å; T70-D96 WeakPolarHBondContact CB-OD2 3.44Å; T70-D96 WeakPolarHBondContact CG2-OD2 3.4Å; T70-D96 PolarHBondContact OG1-OD1 3.44Å; T70-D96 PolarHBondContact OG1-OD2 3.36Å; T70-A99 HydrophobicContact CG2-CB 4.41Å; T70-T102 HydrophobicContact CG2-CG2 4.13Å; T70-F103 HydrophobicContact CG2-CE2 3.62Å; T70-F103 HydrophobicContact CG2-CZ 3.94Å
71	S	97.6	Very high	98.1	Very high	98 Å²	98	42.4 Å²	42.4	69%	0.685	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.7	173.1	51.4	0	0	0	0	113.9	N98	S71-N98 VanDerWaalsContact OG-CG 3.25Å; S71-N98 PolarHBondContact OG-ND2 3.31Å
72	L	97.2	Very high	98.1	Very high	53 Å²	53	41.7 Å²	41.7	28%	0.277	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	4.6	173.7	-64.4	173.4	0	0	0	112.7	R30 T70 D96	R30-L72 PolarHBondContact NH1-O 3Å; T70-L72 PolarHBondContact O-N 3.1Å; T70-L72 VanDerWaalsContact O-N 3.14Å; T70-L72 PolarHBondContact OG1-N 2.92Å; L72-D96 HydrophobicContact CB-CB 4.27Å; L72-D96 HydrophobicContact CD1-CB 3.77Å
73	G	96.4	Very high	98.1	Very high	26 Å²	26	41.4 Å²	41.4	27%	0.268	23%	0.227	S	C	.	.	S	Bend	trans	80.7	15.8	176.6	0	0	0	0	0	114.6	T70	T70-G73 WeakPolarHBondContact O-CA 3.23Å; T70-G73 PolarHBondContact O-N 3.22Å; T70-G73 PolarHBondContact OG1-N 3.17Å
74	G	97.6	Very high	98.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.198	C	C	.	.			trans	-75.9	158.7	174.7	0	0	0	0	0	112.8	K69 T70 Q78 C95 T166	K69-G74 CarbonylContact C-O 3.55Å; K69-G74 VanDerWaalsContact CA-O 3.29Å; K69-G74 WeakPolarHBondContact CA-O 3.4Å; T70-G74 PolarHBondContact N-O 3.49Å; T70-G74 PolarHBondContact OG1-N 3.38Å; G74-Q78 VanDerWaalsContact CA-OE1 3.27Å; G74-C95 VanDerWaalsContact CA-SG 3.58Å; G74-T166 VanDerWaalsContact CA-CG2 3.49Å
75	T	98.5	Very high	98.1	Very high	21 Å²	21	34.1 Å²	34.1	13%	0.129	20%	0.196	C	C	.	.			trans	-123.6	157	-179.3	60	0	0	0	0	112.5	K69 A77 Q78 C79	K69-T75 HydrophobicContact CD-CG2 3.47Å; K69-T75 VanDerWaalsContact CD-CG2 3.47Å; T75-A77 PolarHBondContact O-N 2.91Å; T75-Q78 WeakPolarHBondContact O-CB 3.24Å; T75-Q78 PolarHBondContact O-N 3.41Å; T75-Q78 VanDerWaalsContact O-N 3.15Å; T75-Q78 WeakPolarHBondContact OG1-CG 3.38Å; T75-Q78 PolarHBondContact OG1-N 3.49Å; T75-C79 PolarHBondContact O-N 3.38Å; T75-C79 PolarHBondContact O-SG 3.26Å
76	L	98.6	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.3	-28.7	170.7	-175.2	58.5	0	0	0	112.1	L36 L57 I61 Y65 Q78 C79 V80 F103 F106 F107	L36-L76 HydrophobicContact CD1-CB 4.32Å; L36-L76 HydrophobicContact CD1-CD2 4.37Å; L36-L76 HydrophobicContact CD1-CG 3.99Å; L36-L76 HydrophobicContact CD2-CB 4.2Å; L36-L76 HydrophobicContact CD2-CD2 3.9Å; L36-L76 HydrophobicContact CD2-CG 4.21Å; L57-L76 HydrophobicContact CD1-CD2 4.2Å; I61-L76 HydrophobicContact CG2-CD2 3.81Å; Y65-L76 HydrophobicContact CD2-CD2 4.02Å; Y65-L76 HydrophobicContact CG-CD2 4.27Å; L76-Q78 VanDerWaalsContact C-N 3.33Å; L76-Q78 PolarHBondContact O-N 3.02Å; L76-C79 HydrophobicContact CD1-CB 4.06Å; L76-C79 VanDerWaalsContact O-CB 3.31Å; L76-C79 WeakPolarHBondContact O-CB 3.42Å; L76-C79 PolarHBondContact O-N 2.93Å; L76-C79 VanDerWaalsContact O-N 3.16Å; L76-V80 HydrophobicContact CD1-CG1 4.16Å; L76-V80 WeakPolarHBondContact O-CG2 3.39Å; L76-V80 PolarHBondContact O-N 3.04Å; L76-F103 HydrophobicContact CB-CD1 3.88Å; L76-F103 HydrophobicContact CB-CD2 4.28Å; L76-F103 HydrophobicContact CB-CE1 3.92Å; L76-F103 HydrophobicContact CB-CE2 4.32Å; L76-F103 HydrophobicContact CB-CG 4.07Å; L76-F103 HydrophobicContact CB-CZ 4.16Å; L76-F103 HydrophobicContact CD1-CB 4.12Å; L76-F103 HydrophobicContact CD1-CD2 4.29Å; L76-F103 HydrophobicContact CD1-CG 4.12Å; L76-F106 HydrophobicContact CD1-CD1 3.6Å; L76-F106 HydrophobicContact CD1-CE1 3.91Å; L76-F106 HydrophobicContact CD1-CG 4.22Å; L76-F107 HydrophobicContact CD1-CE2 4.43Å
77	A	98.6	Very high	98	Very high	9 Å²	9	30.7 Å²	30.7	7%	0.074	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-44.3	173.9	0	0	0	0	0	111.4	V33 L36 L39 T75 C79 V80 N81	V33-A77 HydrophobicContact CG2-CB 3.69Å; L36-A77 HydrophobicContact CB-CB 4.21Å; L36-A77 HydrophobicContact CD1-CB 4.4Å; L39-A77 HydrophobicContact CD1-CB 3.94Å; L39-A77 WeakPolarHBondContact CD1-O 3.47Å; T75-A77 PolarHBondContact O-N 2.91Å; A77-C79 VanDerWaalsContact C-N 3.29Å; A77-C79 PolarHBondContact O-N 3.42Å; A77-V80 PolarHBondContact O-N 3.08Å; A77-N81 WeakPolarHBondContact O-CB 3.19Å; A77-N81 PolarHBondContact O-N 3.35Å
78	Q	98.6	Very high	97.9	Very high	13 Å²	13	30.8 Å²	30.8	6%	0.061	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-34.3	175.8	-70.2	171.5	-34.2	0	0	112.4	M31 V33 G74 T75 L76 C95 P165	M31-Q78 HydrophobicContact CE-CB 3.52Å; M31-Q78 HydrophobicContact CE-CG 3.61Å; M31-Q78 PolarHBondContact O-NE2 2.93Å; V33-Q78 HydrophobicContact CG1-CG 4.26Å; V33-Q78 HydrophobicContact CG2-CG 3.78Å; G74-Q78 VanDerWaalsContact CA-OE1 3.27Å; T75-Q78 WeakPolarHBondContact O-CB 3.24Å; T75-Q78 PolarHBondContact O-N 3.41Å; T75-Q78 VanDerWaalsContact O-N 3.15Å; T75-Q78 WeakPolarHBondContact OG1-CG 3.38Å; T75-Q78 PolarHBondContact OG1-N 3.49Å; L76-Q78 VanDerWaalsContact C-N 3.33Å; L76-Q78 PolarHBondContact O-N 3.02Å; Q78-C95 HydrophobicContact CB-CB 3.97Å; Q78-P165 HydrophobicContact CB-CB 4.02Å; Q78-P165 HydrophobicContact CB-CG 4.44Å; Q78-P165 HydrophobicContact CG-CB 4.28Å
79	C	98.7	Very high	97.8	Very high	1 Å²	1	29 Å²	29	1%	0.007	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-38	177.2	-63.7	0	0	0	0	113.5	T75 L76 A77 R93 C95 F107	T75-C79 PolarHBondContact O-N 3.38Å; T75-C79 PolarHBondContact O-SG 3.26Å; L76-C79 HydrophobicContact CD1-CB 4.06Å; L76-C79 VanDerWaalsContact O-CB 3.31Å; L76-C79 WeakPolarHBondContact O-CB 3.42Å; L76-C79 PolarHBondContact O-N 2.93Å; L76-C79 VanDerWaalsContact O-N 3.16Å; A77-C79 VanDerWaalsContact C-N 3.29Å; A77-C79 PolarHBondContact O-N 3.42Å; C79-R93 CarbonylContact C-O 3.52Å; C79-R93 WeakPolarHBondContact CA-O 3.42Å; C79-R93 WeakPolarHBondContact CB-O 3.32Å; C79-R93 PolarHBondContact O-N 2.93Å; C79-C95 PolarHBondContact SG-N 3.49Å; C79-C95 VanDerWaalsContact SG-SG 3.67Å; C79-F107 HydrophobicContact CB-CZ 4.08Å
80	V	98.7	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-101.2	-7.8	-172.1	-55.9	0	0	0	0	114	L36 L39 T53 L57 L76 A77 T82 N83 P92 F106	L36-V80 HydrophobicContact CD1-CG2 3.8Å; L39-V80 HydrophobicContact CB-CG2 4.3Å; L39-V80 HydrophobicContact CD1-CG2 4.05Å; T53-V80 HydrophobicContact CG2-CB 3.82Å; T53-V80 HydrophobicContact CG2-CG1 3.73Å; L57-V80 HydrophobicContact CD2-CB 4.49Å; L57-V80 HydrophobicContact CD2-CG1 4.45Å; L57-V80 HydrophobicContact CD2-CG2 4.16Å; L76-V80 HydrophobicContact CD1-CG1 4.16Å; L76-V80 WeakPolarHBondContact O-CG2 3.39Å; L76-V80 PolarHBondContact O-N 3.04Å; A77-V80 PolarHBondContact O-N 3.08Å; V80-T82 VanDerWaalsContact C-N 3.29Å; V80-T82 PolarHBondContact O-N 3.2Å; V80-N83 PolarHBondContact O-N 2.67Å; V80-P92 HydrophobicContact CG1-CB 4.42Å; V80-F106 HydrophobicContact CG1-CE1 4.06Å; V80-F106 HydrophobicContact CG1-CZ 3.83Å
81	N	98.6	Very high	97.8	Very high	16 Å²	16	28 Å²	28	9%	0.086	18%	0.181	C	C	.	.	H	α-helix	trans	-49.3	-48	-174.6	-172.5	74.7	0	0	0	112.7	V33 L39 A77 N83 A84 Y85 D224	V33-N81 HydrophobicContact CG1-CB 3.93Å; L39-N81 HydrophobicContact CD1-CB 4.33Å; A77-N81 WeakPolarHBondContact O-CB 3.19Å; A77-N81 PolarHBondContact O-N 3.35Å; N81-N83 PolarHBondContact O-N 3.4Å; N81-A84 WeakPolarHBondContact O-CB 3.42Å; N81-A84 PolarHBondContact O-N 3.03Å; N81-Y85 VanDerWaalsContact O-CD2 3.27Å; N81-Y85 WeakPolarHBondContact O-CD2 3.4Å; N81-D224 PolarHBondContact ND2-O 3.04Å
82	T	98.3	Very high	97.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.6	-33.2	-179.3	-169.3	0	0	0	0	113.8	V80 A84 Y85 N86 R93 V221 A225	V80-T82 VanDerWaalsContact C-N 3.29Å; V80-T82 PolarHBondContact O-N 3.2Å; T82-A84 VanDerWaalsContact C-N 3.27Å; T82-A84 PolarHBondContact O-N 2.88Å; T82-Y85 PolarHBondContact O-N 3.14Å; T82-N86 WeakPolarHBondContact O-CB 3.2Å; T82-N86 PolarHBondContact O-N 2.79Å; T82-N86 PolarHBondContact O-ND2 2.71Å; T82-N86 PolarHBondContact OG1-ND2 2.57Å; T82-R93 HydrophobicContact CG2-CG 4.46Å; T82-V221 WeakPolarHBondContact CB-O 3.42Å; T82-V221 HydrophobicContact CG2-CG1 4.28Å; T82-V221 WeakPolarHBondContact OG1-CA 3.47Å; T82-V221 WeakPolarHBondContact OG1-CG1 3.38Å; T82-V221 PolarHBondContact OG1-O 3.23Å; T82-A225 HydrophobicContact CG2-CB 4.21Å
83	N	98.6	Very high	97.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-72.6	-20.7	-179.8	-57.6	110.8	0	0	0	112.8	I43 N49 T53 V80 N81 Y85 A89 L91 P92	I43-N83 HydrophobicContact CD1-CB 3.95Å; I43-N83 HydrophobicContact CG1-CB 4.32Å; N49-N83 PolarHBondContact ND2-O 2.76Å; T53-N83 WeakPolarHBondContact CB-OD1 3.36Å; T53-N83 HydrophobicContact CG2-CB 4.01Å; T53-N83 VanDerWaalsContact OG1-CG 3.24Å; T53-N83 PolarHBondContact OG1-OD1 2.89Å; V80-N83 PolarHBondContact O-N 2.67Å; N81-N83 PolarHBondContact O-N 3.4Å; N83-Y85 VanDerWaalsContact C-N 3.28Å; N83-A89 PolarHBondContact ND2-O 2.94Å; N83-L91 PolarHBondContact ND2-O 3.49Å; N83-P92 WeakPolarHBondContact OD1-CA 3.5Å
84	A	98.1	Very high	98	Very high	13 Å²	13	21 Å²	21	11%	0.107	13%	0.128	C	C	.	.	H	α-helix	trans	-74.4	-21.6	174.8	0	0	0	0	0	112.7	L39 K42 I43 N81 T82	L39-A84 HydrophobicContact CD2-CB 3.78Å; K42-A84 HydrophobicContact CB-CB 4.14Å; K42-A84 HydrophobicContact CD-CB 4.43Å; I43-A84 HydrophobicContact CD1-CB 4.33Å; I43-A84 HydrophobicContact CG1-CB 3.93Å; N81-A84 WeakPolarHBondContact O-CB 3.42Å; N81-A84 PolarHBondContact O-N 3.03Å; T82-A84 VanDerWaalsContact C-N 3.27Å; T82-A84 PolarHBondContact O-N 2.88Å
85	Y	97.8	Very high	98.1	Very high	104 Å²	104	21 Å²	21	41%	0.408	13%	0.128	S	C	.	.	H	α-helix	trans	-111.3	-20.5	-176.4	-62.6	-72.1	0	0	0	113.3	E34 L39 K42 N81 T82 N83 D224	E34-Y85 PolarHBondContact OE1-OH 3.49Å; L39-Y85 HydrophobicContact CD2-CE2 4.44Å; K42-Y85 PolarHBondContact NZ-OH 2.62Å; N81-Y85 VanDerWaalsContact O-CD2 3.27Å; N81-Y85 WeakPolarHBondContact O-CD2 3.4Å; T82-Y85 PolarHBondContact O-N 3.14Å; N83-Y85 VanDerWaalsContact C-N 3.28Å; Y85-D224 WeakPolarHBondContact CB-OD2 3.36Å
86	N	97.7	Very high	98.1	Very high	23 Å²	23	20 Å²	20	12%	0.123	12%	0.122	C	C	.	.			trans	-124.4	83.3	-177.7	-58.3	-85.5	0	0	0	109.8	T82 G88 A89 V221 D224	T82-N86 WeakPolarHBondContact O-CB 3.2Å; T82-N86 PolarHBondContact O-N 2.79Å; T82-N86 PolarHBondContact O-ND2 2.71Å; T82-N86 PolarHBondContact OG1-ND2 2.57Å; N86-G88 PolarHBondContact O-N 3.34Å; N86-G88 VanDerWaalsContact O-N 3.12Å; N86-A89 HydrophobicContact CB-CB 4.06Å; N86-A89 VanDerWaalsContact O-CB 3.28Å; N86-A89 WeakPolarHBondContact O-CB 3.11Å; N86-A89 PolarHBondContact O-N 3.39Å; N86-V221 HydrophobicContact CB-CG2 3.97Å; N86-D224 PolarHBondContact ND2-OD2 2.94Å
87	P	96.5	Very high	98.1	Very high	26 Å²	26	21.5 Å²	21.5	17%	0.169	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.6	-175.3	23.6	-34.2	0	0	0	114.2	R48 N49 A89	R48-P87 HydrophobicContact CB-CB 4.03Å; R48-P87 HydrophobicContact CB-CG 4.3Å; N49-P87 HydrophobicContact CB-CB 3.89Å; P87-A89 VanDerWaalsContact C-N 3.33Å
88	G	95	Very high	98.1	Very high	80 Å²	80	23.2 Å²	23.2	83%	0.825	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-11.1	172.9	0	0	0	0	0	114.7	N86 L90	N86-G88 PolarHBondContact O-N 3.34Å; N86-G88 VanDerWaalsContact O-N 3.12Å; G88-L90 PolarHBondContact O-N 2.95Å
89	A	96.6	Very high	98.1	Very high	11 Å²	11	22.6 Å²	22.6	9%	0.091	14%	0.135	C	C	.	.			trans	-76.5	110.8	178	0	0	0	0	0	110.5	S51 N83 N86 P87 L91 V221	S51-A89 WeakPolarHBondContact CB-O 3.35Å; N83-A89 PolarHBondContact ND2-O 2.94Å; N86-A89 HydrophobicContact CB-CB 4.06Å; N86-A89 VanDerWaalsContact O-CB 3.28Å; N86-A89 WeakPolarHBondContact O-CB 3.11Å; N86-A89 PolarHBondContact O-N 3.39Å; P87-A89 VanDerWaalsContact C-N 3.33Å; A89-L91 VanDerWaalsContact C-N 3.34Å; A89-L91 PolarHBondContact O-N 3.44Å; A89-V221 HydrophobicContact CB-CG1 3.89Å; A89-V221 HydrophobicContact CB-CG2 4.13Å
90	L	97.9	Very high	98.1	Very high	85 Å²	85	22.7 Å²	22.7	45%	0.445	14%	0.135	S	C	.	.			trans	-66.8	-30.6	-176.5	-177	62.4	0	0	0	114.1	L52 G88 Y114	L52-L90 HydrophobicContact CG-CD1 4.07Å; L52-L90 HydrophobicContact CG-CG 4.38Å; L52-L90 PolarHBondContact N-O 3.33Å; G88-L90 PolarHBondContact O-N 2.95Å; L90-Y114 HydrophobicContact CD2-CD2 3.93Å; L90-Y114 HydrophobicContact CD2-CE2 3.9Å
91	L	98.6	Very high	98.1	Very high	10 Å²	10	27.4 Å²	27.4	5%	0.052	16%	0.157	C	C	.	.	S	Bend	trans	-124.6	153.5	-167.4	-65.3	176	0	0	0	112.5	L52 N83 A89 R93 V110 Y114	L52-L91 HydrophobicContact CB-CD2 4.47Å; L52-L91 HydrophobicContact CD1-CD2 3.91Å; N83-L91 PolarHBondContact ND2-O 3.49Å; A89-L91 VanDerWaalsContact C-N 3.34Å; A89-L91 PolarHBondContact O-N 3.44Å; L91-R93 PolarHBondContact O-NH1 3.3Å; L91-V110 HydrophobicContact CD2-CG1 3.78Å; L91-Y114 HydrophobicContact CD1-CD1 4.34Å; L91-Y114 HydrophobicContact CD1-CD2 3.82Å; L91-Y114 HydrophobicContact CD1-CE1 4.32Å; L91-Y114 HydrophobicContact CD1-CE2 3.78Å; L91-Y114 HydrophobicContact CD1-CG 4.1Å; L91-Y114 HydrophobicContact CD2-CD2 3.78Å; L91-Y114 HydrophobicContact CD2-CG 3.97Å; L91-Y114 HydrophobicContact CG-CD2 4.08Å; L91-Y114 HydrophobicContact CG-CE2 4.33Å
92	P	98.6	Very high	98.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.			trans	-71.5	-179.9	166.6	34	-35.7	0	0	0	111.3	T53 V80 N83 F106 F107 V110 P299	T53-P92 VanDerWaalsContact OG1-CD 3.31Å; T53-P92 WeakPolarHBondContact OG1-CD 3.44Å; V80-P92 HydrophobicContact CG1-CB 4.42Å; N83-P92 WeakPolarHBondContact OD1-CA 3.5Å; P92-F106 HydrophobicContact CB-CE1 4.02Å; P92-F106 HydrophobicContact CB-CZ 4.12Å; P92-F106 HydrophobicContact CG-CE1 3.76Å; P92-F106 HydrophobicContact CG-CZ 3.89Å; P92-F107 HydrophobicContact CG-CE1 3.97Å; P92-V110 HydrophobicContact CG-CG1 4.17Å; P92-P299 HydrophobicContact CG-CG 4.23Å; P92-P299 WeakPolarHBondContact O-CD 3.49Å
93	R	98.7	Very high	98.1	Very high	28 Å²	28	28.3 Å²	28.3	11%	0.106	16%	0.163	C	C	.	.			trans	-118.6	171.6	163	-63.1	-60.8	-176.1	-76.6	-5.7	109.9	C79 T82 L91 V221 A225 F297	C79-R93 CarbonylContact C-O 3.52Å; C79-R93 WeakPolarHBondContact CA-O 3.42Å; C79-R93 WeakPolarHBondContact CB-O 3.32Å; C79-R93 PolarHBondContact O-N 2.93Å; T82-R93 HydrophobicContact CG2-CG 4.46Å; L91-R93 PolarHBondContact O-NH1 3.3Å; R93-V221 VanDerWaalsContact NH2-CG1 3.32Å; R93-A225 HydrophobicContact CB-CB 4Å; R93-A225 HydrophobicContact CG-CB 3.59Å; R93-F297 HydrophobicContact CB-CD1 4.28Å; R93-F297 HydrophobicContact CB-CD2 4.26Å; R93-F297 HydrophobicContact CB-CE1 3.77Å; R93-F297 HydrophobicContact CB-CE2 3.75Å; R93-F297 HydrophobicContact CB-CZ 3.5Å; R93-F297 VanDerWaalsContact CD-CE1 3.44Å; R93-F297 HydrophobicContact CG-CD1 4.04Å; R93-F297 HydrophobicContact CG-CE1 3.43Å; R93-F297 VanDerWaalsContact CG-CE1 3.43Å; R93-F297 HydrophobicContact CG-CE2 4.36Å; R93-F297 HydrophobicContact CG-CZ 3.65Å
94	S	98.7	Very high	98.1	Very high	1 Å²	1	33 Å²	33	1%	0.007	18%	0.181	C	C	.	.			trans	-102.9	135.1	174.4	52.2	0	0	0	0	110.8	D96 F163 T296 F297	S94-D96 PolarHBondContact O-N 2.99Å; S94-F163 WeakPolarHBondContact O-CD2 3.49Å; S94-F163 VanDerWaalsContact OG-CD2 3.31Å; S94-F163 WeakPolarHBondContact OG-CD2 3.37Å; S94-F163 WeakPolarHBondContact OG-CE2 3.14Å; S94-T296 PolarHBondContact OG-O 2.75Å; S94-F297 PolarHBondContact N-O 2.89Å; S94-F297 VanDerWaalsContact O-CD2 3.25Å; S94-F297 WeakPolarHBondContact O-CD2 3.47Å; S94-F297 WeakPolarHBondContact O-CE2 3.42Å; S94-F297 WeakPolarHBondContact OG-CA 3.48Å; S94-F297 PolarHBondContact OG-O 3.02Å
95	C	98.3	Very high	98.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-67.3	-28.2	176.7	58.2	0	0	0	0	112.6	G74 Q78 C79 F163 P165 T166	G74-C95 VanDerWaalsContact CA-SG 3.58Å; Q78-C95 HydrophobicContact CB-CB 3.97Å; C79-C95 PolarHBondContact SG-N 3.49Å; C79-C95 VanDerWaalsContact SG-SG 3.67Å; C95-F163 PolarHBondContact O-N 2.94Å; C95-P165 HydrophobicContact CB-CB 4.14Å; C95-P165 HydrophobicContact CB-CG 4.5Å; C95-T166 HydrophobicContact CB-CG2 4.25Å; C95-T166 WeakPolarHBondContact O-CG2 3.33Å; C95-T166 PolarHBondContact O-OG1 3.46Å
96	D	98.5	Very high	98.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-165.2	174.9	172.4	58.8	84.7	0	0	0	109.5	T70 L72 S94 N98 A99 F163 T166	T70-D96 VanDerWaalsContact CB-OD2 3.32Å; T70-D96 WeakPolarHBondContact CB-OD2 3.44Å; T70-D96 WeakPolarHBondContact CG2-OD2 3.4Å; T70-D96 PolarHBondContact OG1-OD1 3.44Å; T70-D96 PolarHBondContact OG1-OD2 3.36Å; L72-D96 HydrophobicContact CB-CB 4.27Å; L72-D96 HydrophobicContact CD1-CB 3.77Å; S94-D96 PolarHBondContact O-N 2.99Å; D96-N98 PolarHBondContact O-N 3.3Å; D96-N98 VanDerWaalsContact O-N 3.14Å; D96-N98 WeakPolarHBondContact OD1-CA 3.48Å; D96-N98 VanDerWaalsContact OD1-CB 3.25Å; D96-N98 WeakPolarHBondContact OD1-CB 3.25Å; D96-N98 PolarHBondContact OD1-N 3.43Å; D96-N98 PolarHBondContact OD1-ND2 2.96Å; D96-A99 VanDerWaalsContact O-CB 3.23Å; D96-A99 WeakPolarHBondContact O-CB 2.88Å; D96-A99 PolarHBondContact O-N 3.22Å; D96-A99 VanDerWaalsContact O-N 3.09Å; D96-F163 VanDerWaalsContact C-CD2 3.45Å; D96-F163 VanDerWaalsContact C-CE2 3.5Å; D96-T166 HydrophobicContact CB-CG2 4.39Å
97	L	98.3	Very high	98.2	Very high	31 Å²	31	30.2 Å²	30.2	16%	0.162	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-25.6	-177.3	71.7	94.9	0	0	0	114.4	A99 T157 F163 A287 I295	L97-A99 VanDerWaalsContact C-N 3.34Å; L97-T157 HydrophobicContact CB-CG2 4.03Å; L97-T157 HydrophobicContact CD2-CG2 4.06Å; L97-F163 HydrophobicContact CB-CE2 4.44Å; L97-A287 HydrophobicContact CD1-CB 4.42Å; L97-A287 HydrophobicContact CD2-CB 4.37Å; L97-I295 HydrophobicContact CB-CG2 3.86Å
98	N	98.5	Very high	98.3	Very high	46 Å²	46	30.6 Å²	30.6	25%	0.246	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.6	-178.3	-50.4	-78.1	0	0	0	112.8	S71 D96 Y100 E101 T102	S71-N98 VanDerWaalsContact OG-CG 3.25Å; S71-N98 PolarHBondContact OG-ND2 3.31Å; D96-N98 PolarHBondContact O-N 3.3Å; D96-N98 VanDerWaalsContact O-N 3.14Å; D96-N98 WeakPolarHBondContact OD1-CA 3.48Å; D96-N98 VanDerWaalsContact OD1-CB 3.25Å; D96-N98 WeakPolarHBondContact OD1-CB 3.25Å; D96-N98 PolarHBondContact OD1-N 3.43Å; D96-N98 PolarHBondContact OD1-ND2 2.96Å; N98-Y100 PolarHBondContact O-N 3.26Å; N98-E101 PolarHBondContact O-N 2.79Å; N98-T102 WeakPolarHBondContact O-CB 3.37Å; N98-T102 PolarHBondContact O-N 3.47Å; N98-T102 PolarHBondContact O-OG1 3.35Å
99	A	98.7	Very high	98.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.8	-36.6	178	0	0	0	0	0	112	T70 D96 L97 E101 T102 F103 F107	T70-A99 HydrophobicContact CG2-CB 4.41Å; D96-A99 VanDerWaalsContact O-CB 3.23Å; D96-A99 WeakPolarHBondContact O-CB 2.88Å; D96-A99 PolarHBondContact O-N 3.22Å; D96-A99 VanDerWaalsContact O-N 3.09Å; L97-A99 VanDerWaalsContact C-N 3.34Å; A99-E101 VanDerWaalsContact C-N 3.27Å; A99-E101 PolarHBondContact O-N 3.37Å; A99-T102 PolarHBondContact O-N 3.44Å; A99-F103 HydrophobicContact CB-CD2 3.98Å; A99-F103 HydrophobicContact CB-CE2 4.19Å; A99-F103 WeakPolarHBondContact O-CD2 3.44Å; A99-F103 PolarHBondContact O-N 2.89Å; A99-F107 HydrophobicContact CB-CE2 4Å; A99-F107 HydrophobicContact CB-CZ 4.39Å; A99-F107 WeakPolarHBondContact O-CD2 3.29Å
100	Y	98.7	Very high	98.6	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-65.9	-25	-180	-66.8	-73.2	0	0	0	114.5	N98 F107 I111 R291 L292 I295 T296 P299 L302	N98-Y100 PolarHBondContact O-N 3.26Å; Y100-F107 HydrophobicContact CD1-CB 4.01Å; Y100-F107 AromaticContact CD1-CD1 3.66Å; Y100-F107 HydrophobicContact CD1-CD1 3.66Å; Y100-F107 HydrophobicContact CD1-CD2 4.45Å; Y100-F107 HydrophobicContact CD1-CE1 4.23Å; Y100-F107 AromaticContact CD1-CG 3.79Å; Y100-F107 HydrophobicContact CD1-CG 3.79Å; Y100-F107 AromaticContact CE1-CD1 3.55Å; Y100-F107 HydrophobicContact CE1-CD1 3.55Å; Y100-F107 AromaticContact CE1-CE1 3.85Å; Y100-F107 HydrophobicContact CE1-CE1 3.85Å; Y100-F107 HydrophobicContact CE1-CG 4.18Å; Y100-I111 HydrophobicContact CD1-CD1 3.81Å; Y100-I111 HydrophobicContact CE1-CD1 4.01Å; Y100-R291 PolarHBondContact O-NH2 3.48Å; Y100-L292 HydrophobicContact CD1-CD1 3.97Å; Y100-L292 HydrophobicContact CG-CD1 3.81Å; Y100-I295 HydrophobicContact CD2-CG2 3.73Å; Y100-I295 HydrophobicContact CE2-CG2 3.7Å; Y100-T296 WeakPolarHBondContact CE2-O 3.41Å; Y100-T296 PolarHBondContact OH-O 3.14Å; Y100-P299 HydrophobicContact CE1-CB 4.38Å; Y100-P299 HydrophobicContact CE1-CG 4.15Å; Y100-L302 HydrophobicContact CD1-CD1 4.32Å; Y100-L302 HydrophobicContact CE1-CD1 3.82Å; Y100-L302 HydrophobicContact CE1-CD2 4.37Å; Y100-L302 HydrophobicContact CE2-CD2 4.22Å
101	E	98.6	Very high	98.6	Very high	99 Å²	99	23.6 Å²	23.6	46%	0.463	12%	0.118	S	C	.	.	H	α-helix	trans	-97.9	-37.6	174.5	-164	59.4	-147.6	0	0	111.3	N98 A99 R104 R291	N98-E101 PolarHBondContact O-N 2.79Å; A99-E101 VanDerWaalsContact C-N 3.27Å; A99-E101 PolarHBondContact O-N 3.37Å; E101-R104 WeakPolarHBondContact O-CB 3.5Å; E101-R104 IonicContact OE1-CZ 3.82Å; E101-R104 IonicContact OE1-NH1 2.86Å; E101-R104 PolarHBondContact OE1-NH1 3.02Å; E101-R104 IonicContact OE2-NH1 2.84Å; E101-R291 IonicContact OE2-CZ 3.73Å; E101-R291 IonicContact OE2-NE 3.72Å; E101-R291 IonicContact OE2-NH2 3.65Å; E101-R291 PolarHBondContact OE2-NH2 2.85Å
102	T	98.7	Very high	98.6	Very high	35 Å²	35	23.9 Å²	23.9	22%	0.215	12%	0.122	C	C	.	.	H	α-helix	trans	-65.2	-42.8	180	-53.4	0	0	0	0	111.8	Y65 T68 T70 N98 A99	Y65-T102 WeakPolarHBondContact CE1-O 3.33Å; T68-T102 HydrophobicContact CG2-CG2 3.64Å; T70-T102 HydrophobicContact CG2-CG2 4.13Å; N98-T102 WeakPolarHBondContact O-CB 3.37Å; N98-T102 PolarHBondContact O-N 3.47Å; N98-T102 PolarHBondContact O-OG1 3.35Å; A99-T102 PolarHBondContact O-N 3.44Å
103	F	98.7	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	39.2	-177.5	-44.9	-63.3	0	0	0	111.4	Y65 T68 T70 L76 A99 D105 F106 F107	Y65-F103 AromaticContact CD1-CD1 3.63Å; Y65-F103 HydrophobicContact CD1-CD1 3.63Å; Y65-F103 HydrophobicContact CD1-CE1 4.31Å; Y65-F103 HydrophobicContact CD2-CD1 4.4Å; Y65-F103 HydrophobicContact CE1-CD1 4.2Å; Y65-F103 AromaticContact CG-CD1 3.74Å; Y65-F103 HydrophobicContact CG-CD1 3.74Å; Y65-F103 HydrophobicContact CG-CE1 4.5Å; T68-F103 HydrophobicContact CG2-CE1 4.03Å; T70-F103 HydrophobicContact CG2-CE2 3.62Å; T70-F103 HydrophobicContact CG2-CZ 3.94Å; L76-F103 HydrophobicContact CB-CD1 3.88Å; L76-F103 HydrophobicContact CB-CD2 4.28Å; L76-F103 HydrophobicContact CB-CE1 3.92Å; L76-F103 HydrophobicContact CB-CE2 4.32Å; L76-F103 HydrophobicContact CB-CG 4.07Å; L76-F103 HydrophobicContact CB-CZ 4.16Å; L76-F103 HydrophobicContact CD1-CB 4.12Å; L76-F103 HydrophobicContact CD1-CD2 4.29Å; L76-F103 HydrophobicContact CD1-CG 4.12Å; A99-F103 HydrophobicContact CB-CD2 3.98Å; A99-F103 HydrophobicContact CB-CE2 4.19Å; A99-F103 WeakPolarHBondContact O-CD2 3.44Å; A99-F103 PolarHBondContact O-N 2.89Å; F103-D105 PolarHBondContact O-N 2.84Å; F103-F106 PolarHBondContact O-N 2.94Å; F103-F106 VanDerWaalsContact O-N 3.12Å; F103-F107 HydrophobicContact CB-CD2 3.94Å; F103-F107 HydrophobicContact CB-CE2 4.12Å; F103-F107 HydrophobicContact CD2-CE2 4.15Å; F103-F107 PolarHBondContact O-N 2.55Å; F103-F107 VanDerWaalsContact O-N 3.11Å
104	R	98.6	Very high	98.6	Very high	100 Å²	100	28.5 Å²	28.5	38%	0.377	14%	0.144	S	C	.	.	H	α-helix	trans	-55.1	-44.4	-167.9	-172.5	170.6	176.6	176.9	-9.5	114.5	E101 F106 F107 D108	E101-R104 WeakPolarHBondContact O-CB 3.5Å; E101-R104 IonicContact OE1-CZ 3.82Å; E101-R104 IonicContact OE1-NH1 2.86Å; E101-R104 PolarHBondContact OE1-NH1 3.02Å; E101-R104 IonicContact OE2-NH1 2.84Å; R104-F106 PolarHBondContact O-N 3.44Å; R104-F107 PolarHBondContact O-N 3.38Å; R104-D108 HydrophobicContact CG-CB 4.48Å; R104-D108 VanDerWaalsContact CG-CG 3.47Å; R104-D108 VanDerWaalsContact CG-OD2 3.23Å; R104-D108 WeakPolarHBondContact CG-OD2 3.4Å; R104-D108 IonicContact CZ-OD2 3.19Å; R104-D108 IonicContact NE-OD2 3.66Å; R104-D108 PolarHBondContact NE-OD2 2.91Å; R104-D108 IonicContact NH2-OD2 2.68Å; R104-D108 VanDerWaalsContact O-CB 3.29Å; R104-D108 WeakPolarHBondContact O-CB 3.48Å; R104-D108 PolarHBondContact O-N 2.77Å
105	D	98.6	Very high	98.6	Very high	81 Å²	81	30.4 Å²	30.4	43%	0.433	15%	0.152	S	C	.	.	H	α-helix	trans	-56.7	-36.7	-179.4	-60.8	25.4	0	0	0	112.3	I61 K64 Y65 F103	I61-D105 HydrophobicContact CD1-CB 3.6Å; K64-D105 IonicContact NZ-OD1 2.72Å; K64-D105 PolarHBondContact NZ-OD1 3.05Å; K64-D105 IonicContact NZ-OD2 3.68Å; K64-D105 PolarHBondContact NZ-OD2 3.43Å; Y65-D105 HydrophobicContact CE2-CB 4.21Å; Y65-D105 PolarHBondContact OH-OD1 3.41Å; F103-D105 PolarHBondContact O-N 2.84Å
106	F	98.9	Very high	98.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-76.1	-51.6	177.2	171	-105.4	0	0	0	111.4	T53 L57 I61 L76 V80 P92 F103 R104 A109 V110	T53-F106 HydrophobicContact CG2-CE2 4.48Å; T53-F106 HydrophobicContact CG2-CZ 4.13Å; L57-F106 HydrophobicContact CB-CE2 4.18Å; L57-F106 HydrophobicContact CD1-CD2 4.48Å; L57-F106 HydrophobicContact CD1-CE2 4.4Å; I61-F106 HydrophobicContact CD1-CB 4.3Å; I61-F106 HydrophobicContact CG2-CB 3.96Å; I61-F106 HydrophobicContact CG2-CD2 4.26Å; I61-F106 HydrophobicContact CG2-CG 4.4Å; L76-F106 HydrophobicContact CD1-CD1 3.6Å; L76-F106 HydrophobicContact CD1-CE1 3.91Å; L76-F106 HydrophobicContact CD1-CG 4.22Å; V80-F106 HydrophobicContact CG1-CE1 4.06Å; V80-F106 HydrophobicContact CG1-CZ 3.83Å; P92-F106 HydrophobicContact CB-CE1 4.02Å; P92-F106 HydrophobicContact CB-CZ 4.12Å; P92-F106 HydrophobicContact CG-CE1 3.76Å; P92-F106 HydrophobicContact CG-CZ 3.89Å; F103-F106 PolarHBondContact O-N 2.94Å; F103-F106 VanDerWaalsContact O-N 3.12Å; R104-F106 PolarHBondContact O-N 3.44Å; F106-A109 PolarHBondContact O-N 3.5Å; F106-V110 HydrophobicContact CD2-CG2 4.35Å; F106-V110 HydrophobicContact CE1-CG2 4.39Å; F106-V110 HydrophobicContact CE2-CG2 3.95Å; F106-V110 HydrophobicContact CZ-CG2 3.98Å; F106-V110 WeakPolarHBondContact O-CG2 3.48Å; F106-V110 PolarHBondContact O-N 3.27Å; F106-V110 VanDerWaalsContact O-N 3.16Å
107	F	98.9	Very high	98.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69	-38.8	-175.4	-83.1	-73.9	0	0	0	112.9	L76 C79 P92 A99 Y100 F103 R104 A109 V110 I111 P299	L76-F107 HydrophobicContact CD1-CE2 4.43Å; C79-F107 HydrophobicContact CB-CZ 4.08Å; P92-F107 HydrophobicContact CG-CE1 3.97Å; A99-F107 HydrophobicContact CB-CE2 4Å; A99-F107 HydrophobicContact CB-CZ 4.39Å; A99-F107 WeakPolarHBondContact O-CD2 3.29Å; Y100-F107 HydrophobicContact CD1-CB 4.01Å; Y100-F107 AromaticContact CD1-CD1 3.66Å; Y100-F107 HydrophobicContact CD1-CD1 3.66Å; Y100-F107 HydrophobicContact CD1-CD2 4.45Å; Y100-F107 HydrophobicContact CD1-CE1 4.23Å; Y100-F107 AromaticContact CD1-CG 3.79Å; Y100-F107 HydrophobicContact CD1-CG 3.79Å; Y100-F107 AromaticContact CE1-CD1 3.55Å; Y100-F107 HydrophobicContact CE1-CD1 3.55Å; Y100-F107 AromaticContact CE1-CE1 3.85Å; Y100-F107 HydrophobicContact CE1-CE1 3.85Å; Y100-F107 HydrophobicContact CE1-CG 4.18Å; F103-F107 HydrophobicContact CB-CD2 3.94Å; F103-F107 HydrophobicContact CB-CE2 4.12Å; F103-F107 HydrophobicContact CD2-CE2 4.15Å; F103-F107 PolarHBondContact O-N 2.55Å; F103-F107 VanDerWaalsContact O-N 3.11Å; R104-F107 PolarHBondContact O-N 3.38Å; F107-A109 VanDerWaalsContact C-N 3.31Å; F107-A109 PolarHBondContact O-N 3.47Å; F107-V110 PolarHBondContact O-N 2.84Å; F107-I111 HydrophobicContact CB-CD1 4.14Å; F107-I111 VanDerWaalsContact O-CB 3.24Å; F107-I111 WeakPolarHBondContact O-CB 3.27Å; F107-I111 WeakPolarHBondContact O-CD1 3.43Å; F107-I111 WeakPolarHBondContact O-CG1 3.48Å; F107-I111 PolarHBondContact O-N 3.43Å; F107-P299 HydrophobicContact CD1-CG 4.28Å; F107-P299 HydrophobicContact CE1-CG 4.09Å
108	D	98.7	Very high	98.3	Very high	33 Å²	33	41.3 Å²	41.3	18%	0.176	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-40.2	179.4	-75.1	12.3	0	0	0	110.6	R104 I111 A112 I122 R291	R104-D108 HydrophobicContact CG-CB 4.48Å; R104-D108 VanDerWaalsContact CG-CG 3.47Å; R104-D108 VanDerWaalsContact CG-OD2 3.23Å; R104-D108 WeakPolarHBondContact CG-OD2 3.4Å; R104-D108 IonicContact CZ-OD2 3.19Å; R104-D108 IonicContact NE-OD2 3.66Å; R104-D108 PolarHBondContact NE-OD2 2.91Å; R104-D108 IonicContact NH2-OD2 2.68Å; R104-D108 VanDerWaalsContact O-CB 3.29Å; R104-D108 WeakPolarHBondContact O-CB 3.48Å; R104-D108 PolarHBondContact O-N 2.77Å; D108-I111 PolarHBondContact O-N 2.94Å; D108-A112 WeakPolarHBondContact O-CB 3.41Å; D108-A112 PolarHBondContact O-N 3.39Å; D108-I122 HydrophobicContact CB-CD1 3.82Å; D108-R291 IonicContact OD1-CZ 3.57Å; D108-R291 IonicContact OD1-NH1 3.83Å; D108-R291 PolarHBondContact OD1-NH1 3.37Å; D108-R291 IonicContact OD1-NH2 2.75Å; D108-R291 IonicContact OD2-CZ 2.66Å; D108-R291 IonicContact OD2-NH1 3.18Å
109	A	98.7	Very high	98.2	Very high	29 Å²	29	45.7 Å²	45.7	24%	0.24	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-46.5	175.5	0	0	0	0	0	112.2	Y56 F106 F107 D113	Y56-A109 HydrophobicContact CD1-CB 3.52Å; Y56-A109 HydrophobicContact CD2-CB 4.32Å; Y56-A109 HydrophobicContact CE1-CB 3.78Å; Y56-A109 HydrophobicContact CG-CB 3.82Å; F106-A109 PolarHBondContact O-N 3.5Å; F107-A109 VanDerWaalsContact C-N 3.31Å; F107-A109 PolarHBondContact O-N 3.47Å; A109-D113 WeakPolarHBondContact O-CB 3.46Å; A109-D113 PolarHBondContact O-N 2.84Å; A109-D113 VanDerWaalsContact O-N 3.14Å
110	V	98.8	Very high	98	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-43.6	176.7	171	0	0	0	0	111.6	L52 Y56 L91 P92 F106 F107 Y114	L52-V110 HydrophobicContact CB-CG1 4.25Å; L52-V110 HydrophobicContact CB-CG2 4.45Å; L52-V110 HydrophobicContact CD1-CG1 4.49Å; Y56-V110 HydrophobicContact CD2-CG2 3.83Å; Y56-V110 HydrophobicContact CG-CG2 4.31Å; L91-V110 HydrophobicContact CD2-CG1 3.78Å; P92-V110 HydrophobicContact CG-CG1 4.17Å; F106-V110 HydrophobicContact CD2-CG2 4.35Å; F106-V110 HydrophobicContact CE1-CG2 4.39Å; F106-V110 HydrophobicContact CE2-CG2 3.95Å; F106-V110 HydrophobicContact CZ-CG2 3.98Å; F106-V110 WeakPolarHBondContact O-CG2 3.48Å; F106-V110 PolarHBondContact O-N 3.27Å; F106-V110 VanDerWaalsContact O-N 3.16Å; F107-V110 PolarHBondContact O-N 2.84Å; V110-Y114 WeakPolarHBondContact O-CB 3.25Å; V110-Y114 PolarHBondContact O-N 2.79Å
111	I	98.8	Very high	97.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-68.8	-46.4	-177.9	-71	163.9	0	0	0	110.4	Y100 F107 D108 D113 Y114 H115 I122 L292 P299 L302 L357	Y100-I111 HydrophobicContact CD1-CD1 3.81Å; Y100-I111 HydrophobicContact CE1-CD1 4.01Å; F107-I111 HydrophobicContact CB-CD1 4.14Å; F107-I111 VanDerWaalsContact O-CB 3.24Å; F107-I111 WeakPolarHBondContact O-CB 3.27Å; F107-I111 WeakPolarHBondContact O-CD1 3.43Å; F107-I111 WeakPolarHBondContact O-CG1 3.48Å; F107-I111 PolarHBondContact O-N 3.43Å; D108-I111 PolarHBondContact O-N 2.94Å; I111-D113 VanDerWaalsContact C-N 3.32Å; I111-D113 PolarHBondContact O-N 3.22Å; I111-Y114 PolarHBondContact O-N 2.97Å; I111-H115 WeakPolarHBondContact O-CB 3.02Å; I111-H115 PolarHBondContact O-N 2.95Å; I111-I122 HydrophobicContact CB-CD1 4.2Å; I111-I122 HydrophobicContact CG2-CD1 3.94Å; I111-I122 HydrophobicContact CG2-CG1 4.44Å; I111-I122 HydrophobicContact CG2-CG2 4.26Å; I111-L292 HydrophobicContact CD1-CD1 4.27Å; I111-L292 HydrophobicContact CD1-CD2 3.87Å; I111-L292 HydrophobicContact CG2-CD2 4.26Å; I111-P299 HydrophobicContact CG1-CB 4.23Å; I111-L302 HydrophobicContact CD1-CD1 3.51Å; I111-L302 HydrophobicContact CG1-CD1 3.86Å; I111-L357 HydrophobicContact CG2-CD2 3.71Å
112	A	98.5	Very high	97.9	Very high	16 Å²	16	50.5 Å²	50.5	13%	0.132	27%	0.266	C	S	.	.	H	α-helix	trans	-60.1	-42.2	179.3	0	0	0	0	0	111.8	D108 K116 V117 I122	D108-A112 WeakPolarHBondContact O-CB 3.41Å; D108-A112 PolarHBondContact O-N 3.39Å; A112-K116 CarbonylContact O-C 3.51Å; A112-K116 WeakPolarHBondContact O-CA 3.2Å; A112-K116 PolarHBondContact O-N 3.26Å; A112-K116 VanDerWaalsContact O-N 3.08Å; A112-V117 HydrophobicContact CB-CB 4.27Å; A112-V117 PolarHBondContact O-N 3.31Å; A112-I122 HydrophobicContact CB-CD1 4.39Å; A112-I122 HydrophobicContact CB-CG1 4.41Å
113	D	98.4	Very high	97.9	Very high	45 Å²	45	55.7 Å²	55.7	24%	0.241	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-56.7	176.7	-169.8	-29.3	0	0	0	111.3	L52 K55 Y56 A109 I111 H115 K116	L52-D113 HydrophobicContact CD1-CB 4.08Å; L52-D113 HydrophobicContact CD2-CB 4.4Å; L52-D113 WeakPolarHBondContact CD2-OD2 3.3Å; K55-D113 IonicContact NZ-OD2 3.67Å; K55-D113 PolarHBondContact NZ-OD2 3.03Å; Y56-D113 HydrophobicContact CE2-CB 3.81Å; Y56-D113 WeakPolarHBondContact CE2-OD2 3.25Å; Y56-D113 PolarHBondContact OH-OD2 2.93Å; A109-D113 WeakPolarHBondContact O-CB 3.46Å; A109-D113 PolarHBondContact O-N 2.84Å; A109-D113 VanDerWaalsContact O-N 3.14Å; I111-D113 VanDerWaalsContact C-N 3.32Å; I111-D113 PolarHBondContact O-N 3.22Å; D113-H115 PolarHBondContact O-N 3.34Å; D113-K116 PolarHBondContact O-N 3.43Å
114	Y	98	Very high	97.9	Very high	81 Å²	81	56.2 Å²	56.2	32%	0.318	29%	0.29	S	S	.	.	H	α-helix	trans	-59.2	-46.4	-175.4	-178	-96.2	0	0	0	112.7	L90 L91 V110 I111 K116 S300	L90-Y114 HydrophobicContact CD2-CD2 3.93Å; L90-Y114 HydrophobicContact CD2-CE2 3.9Å; L91-Y114 HydrophobicContact CD1-CD1 4.34Å; L91-Y114 HydrophobicContact CD1-CD2 3.82Å; L91-Y114 HydrophobicContact CD1-CE1 4.32Å; L91-Y114 HydrophobicContact CD1-CE2 3.78Å; L91-Y114 HydrophobicContact CD1-CG 4.1Å; L91-Y114 HydrophobicContact CD2-CD2 3.78Å; L91-Y114 HydrophobicContact CD2-CG 3.97Å; L91-Y114 HydrophobicContact CG-CD2 4.08Å; L91-Y114 HydrophobicContact CG-CE2 4.33Å; V110-Y114 WeakPolarHBondContact O-CB 3.25Å; V110-Y114 PolarHBondContact O-N 2.79Å; I111-Y114 PolarHBondContact O-N 2.97Å; Y114-K116 VanDerWaalsContact C-N 3.27Å; Y114-K116 PolarHBondContact O-N 3.3Å; Y114-S300 WeakPolarHBondContact OH-CB 3.49Å
115	H	98	Very high	97.9	Very high	40 Å²	40	53.8 Å²	53.8	19%	0.185	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	2.3	180	-69.3	-80.9	0	0	0	113.3	I111 D113 V117 P299 L357	I111-H115 WeakPolarHBondContact O-CB 3.02Å; I111-H115 PolarHBondContact O-N 2.95Å; D113-H115 PolarHBondContact O-N 3.34Å; H115-V117 VanDerWaalsContact C-N 3.3Å; H115-V117 HydrophobicContact CB-CG2 3.93Å; H115-V117 PolarHBondContact O-N 2.81Å; H115-P299 PolarHBondContact NE2-O 3.12Å; H115-L357 HydrophobicContact CB-CB 4.43Å; H115-L357 HydrophobicContact CB-CD2 4.22Å
116	K	97.4	Very high	97.9	Very high	134 Å²	134	56.2 Å²	56.2	58%	0.583	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	47.4	-179.6	-62.1	174.9	170.7	52.1	0	112.1	A112 D113 Y114 P118	A112-K116 CarbonylContact O-C 3.51Å; A112-K116 WeakPolarHBondContact O-CA 3.2Å; A112-K116 PolarHBondContact O-N 3.26Å; A112-K116 VanDerWaalsContact O-N 3.08Å; D113-K116 PolarHBondContact O-N 3.43Å; Y114-K116 VanDerWaalsContact C-N 3.27Å; Y114-K116 PolarHBondContact O-N 3.3Å; K116-P118 WeakPolarHBondContact O-CD 3.24Å
117	V	97.6	Very high	97.8	Very high	28 Å²	28	58.6 Å²	58.6	17%	0.17	31%	0.311	C	S	.	.			trans	-74.6	118.6	-178.5	-178.5	0	0	0	0	109.4	A112 H115 D119 G120 K121 I122	A112-V117 HydrophobicContact CB-CB 4.27Å; A112-V117 PolarHBondContact O-N 3.31Å; H115-V117 VanDerWaalsContact C-N 3.3Å; H115-V117 HydrophobicContact CB-CG2 3.93Å; H115-V117 PolarHBondContact O-N 2.81Å; V117-D119 PolarHBondContact O-N 3.16Å; V117-G120 PolarHBondContact O-N 2.71Å; V117-K121 VanDerWaalsContact CG1-C 3.47Å; V117-K121 WeakPolarHBondContact CG1-O 3.13Å; V117-I122 HydrophobicContact CG1-CG1 4.17Å; V117-I122 HydrophobicContact CG2-CG1 4.39Å
118	P	94.9	Very high	97.8	Very high	99 Å²	99	62.3 Å²	62.3	64%	0.643	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-57.3	133.8	178.6	-24.7	35.1	0	0	0	112	K116 G120 K121	K116-P118 WeakPolarHBondContact O-CD 3.24Å; P118-G120 PolarHBondContact O-N 2.81Å; P118-K121 PolarHBondContact O-N 2.87Å
119	D	95.9	Very high	97.8	Very high	138 Å²	138	61.1 Å²	61.1	74%	0.738	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	52.6	15.8	-178.7	-52.8	-26.6	0	0	0	115.4	V117 K121	V117-D119 PolarHBondContact O-N 3.16Å; D119-K121 HydrophobicContact CB-CD 4.18Å; D119-K121 HydrophobicContact CB-CG 4.17Å; D119-K121 PolarHBondContact O-N 2.95Å; D119-K121 IonicContact OD2-NZ 3.6Å; D119-K121 PolarHBondContact OD2-NZ 2.88Å
120	G	94.6	Very high	97.8	Very high	41 Å²	41	60.7 Å²	60.7	42%	0.423	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	64.2	16.5	-171.8	0	0	0	0	0	114.8	V117 P118 I122	V117-G120 PolarHBondContact O-N 2.71Å; P118-G120 PolarHBondContact O-N 2.81Å; G120-I122 VanDerWaalsContact C-N 3.27Å; G120-I122 PolarHBondContact O-N 2.91Å
121	K	97.3	Very high	97.7	Very high	139 Å²	139	65.1 Å²	65.1	60%	0.604	35%	0.346	S	S	*	.			trans	-77.9	73.8	177.3	-70.1	171.6	-175.7	145.8	0	111	V117 P118 D119 Q123	V117-K121 VanDerWaalsContact CG1-C 3.47Å; V117-K121 WeakPolarHBondContact CG1-O 3.13Å; P118-K121 PolarHBondContact O-N 2.87Å; D119-K121 HydrophobicContact CB-CD 4.18Å; D119-K121 HydrophobicContact CB-CG 4.17Å; D119-K121 PolarHBondContact O-N 2.95Å; D119-K121 IonicContact OD2-NZ 3.6Å; D119-K121 PolarHBondContact OD2-NZ 2.88Å; K121-Q123 PolarHBondContact O-N 2.9Å
122	I	98.3	Very high	97.5	Very high	21 Å²	21	66.2 Å²	66.2	11%	0.108	35%	0.352	C	S	.	.			trans	-68.8	123.3	-176.8	-53.5	167.2	0	0	0	110	D108 I111 A112 V117 G120 R291 L292 L357	D108-I122 HydrophobicContact CB-CD1 3.82Å; I111-I122 HydrophobicContact CB-CD1 4.2Å; I111-I122 HydrophobicContact CG2-CD1 3.94Å; I111-I122 HydrophobicContact CG2-CG1 4.44Å; I111-I122 HydrophobicContact CG2-CG2 4.26Å; A112-I122 HydrophobicContact CB-CD1 4.39Å; A112-I122 HydrophobicContact CB-CG1 4.41Å; V117-I122 HydrophobicContact CG1-CG1 4.17Å; V117-I122 HydrophobicContact CG2-CG1 4.39Å; G120-I122 VanDerWaalsContact C-N 3.27Å; G120-I122 PolarHBondContact O-N 2.91Å; I122-R291 HydrophobicContact CB-CG 4.05Å; I122-R291 HydrophobicContact CG2-CG 3.89Å; I122-R291 WeakPolarHBondContact CG2-O 3.42Å; I122-L292 HydrophobicContact CG2-CD2 3.73Å; I122-L357 HydrophobicContact CG2-CD2 3.95Å
123	Q	97.9	Very high	97.4	Very high	144 Å²	144	74.7 Å²	74.7	67%	0.673	39%	0.386	S	S	*	.			trans	-150.6	154.2	178.2	63.1	-178.4	17.3	0	0	110.9	K121 R291 G358	K121-Q123 PolarHBondContact O-N 2.9Å; Q123-R291 CarbonylContact C-O 3.58Å; Q123-R291 WeakPolarHBondContact CA-O 3.49Å; Q123-G358 WeakPolarHBondContact O-CA 3.24Å
124	H	98.7	Very high	97.2	Very high	11 Å²	11	76.7 Å²	76.7	5%	0.051	40%	0.403	C	S	.	.			trans	-141.9	134.3	175.1	-163.9	67.2	0	0	0	111.3	D290 G293 G303 T304 L357 G358 L359	H124-D290 PolarHBondContact N-O 2.95Å; H124-D290 VanDerWaalsContact O-O 3.13Å; H124-G293 WeakPolarHBondContact CD2-CA 3.44Å; H124-G303 WeakPolarHBondContact CE1-CA 3.37Å; H124-G303 WeakPolarHBondContact NE2-CA 3.49Å; H124-T304 PolarHBondContact CE1-N 2.92Å; H124-T304 VanDerWaalsContact CE1-N 3.28Å; H124-T304 PolarHBondContact NE2-N 3.24Å; H124-L357 HydrophobicContact CB-CD1 4.07Å; H124-G358 PolarHBondContact ND1-N 3.28Å; H124-G358 VanDerWaalsContact ND1-N 3.15Å; H124-L359 PolarHBondContact CE1-O 3.14Å
125	P	98.5	Very high	97	Very high	49 Å²	49	74.1 Å²	74.1	32%	0.318	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-68.1	167.1	175.5	30.6	-36.1	0	0	0	111.5	L359 T360	P125-L359 VanDerWaalsContact CG-C 3.47Å; P125-T360 HydrophobicContact CB-CG2 4.06Å; P125-T360 HydrophobicContact CG-CG2 3.75Å
126	K	98.5	Very high	96.8	Very high	133 Å²	133	76.6 Å²	76.6	58%	0.578	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-61.8	148.5	168.2	-62.8	-60.1	-172.1	-172	0	110.2	N128 F288 D290	K126-N128 PolarHBondContact O-N 3.32Å; K126-F288 HydrophobicContact CD-CE1 4.21Å; K126-F288 HydrophobicContact CD-CZ 4.44Å; K126-D290 WeakPolarHBondContact CE-OD1 3.22Å; K126-D290 IonicContact NZ-OD1 3.29Å; K126-D290 PolarHBondContact NZ-OD1 3.28Å; K126-D290 IonicContact NZ-OD2 3.51Å
127	S	98.5	Very high	96.8	Very high	50 Å²	50	71.5 Å²	71.5	35%	0.35	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-56.8	131.7	177.2	-176.5	0	0	0	0	110.9	E361	S127-E361 WeakPolarHBondContact CA-OE2 3.38Å; S127-E361 VanDerWaalsContact OG-CD 3.24Å; S127-E361 PolarHBondContact OG-OE1 3.43Å; S127-E361 PolarHBondContact OG-OE2 2.6Å
128	N	98.5	Very high	96.8	Very high	77 Å²	77	73.1 Å²	73.1	41%	0.412	41%	0.405	S	S	.	.			trans	-154	113.3	-179.3	-179.7	21.2	0	0	0	110.7	K126 G130 T360 E361 L362	K126-N128 PolarHBondContact O-N 3.32Å; N128-G130 PolarHBondContact OD1-N 3.37Å; N128-T360 HydrophobicContact CB-CG2 4Å; N128-E361 PolarHBondContact N-OE2 2.78Å; N128-E361 PolarHBondContact O-N 3.38Å; N128-L362 PolarHBondContact O-N 3.04Å
129	F	98.4	Very high	97	Very high	8 Å²	8	71.5 Å²	71.5	4%	0.035	39%	0.391	C	S	.	.			trans	-90.6	0	175.6	-71.6	-96.2	0	0	0	113.4	L132 L154 Y270 A274 I277 E361	F129-L132 HydrophobicContact CB-CD2 4.2Å; F129-L154 HydrophobicContact CE1-CD1 3.93Å; F129-L154 HydrophobicContact CZ-CD1 3.69Å; F129-Y270 WeakPolarHBondContact CA-OH 3.49Å; F129-Y270 HydrophobicContact CB-CE1 4.47Å; F129-Y270 HydrophobicContact CD1-CE1 4.34Å; F129-Y270 HydrophobicContact CD1-CE2 4.05Å; F129-Y270 AromaticContact CD1-CZ 3.68Å; F129-Y270 WeakPolarHBondContact CD1-OH 3.4Å; F129-Y270 WeakPolarHBondContact O-CE1 3.47Å; F129-Y270 PolarHBondContact O-OH 3.24Å; F129-A274 HydrophobicContact CB-CB 4Å; F129-A274 HydrophobicContact CD1-CB 3.44Å; F129-A274 VanDerWaalsContact CD1-CB 3.44Å; F129-A274 HydrophobicContact CE1-CB 4.06Å; F129-A274 HydrophobicContact CG-CB 3.81Å; F129-I277 HydrophobicContact CE1-CG2 4.29Å; F129-I277 HydrophobicContact CE2-CG2 3.96Å; F129-I277 HydrophobicContact CZ-CG2 3.64Å; F129-E361 HydrophobicContact CD1-CB 3.83Å; F129-E361 HydrophobicContact CD1-CG 4.33Å; F129-E361 HydrophobicContact CD2-CB 4.37Å; F129-E361 HydrophobicContact CD2-CG 4.43Å; F129-E361 HydrophobicContact CE1-CB 3.8Å; F129-E361 HydrophobicContact CE1-CG 3.84Å; F129-E361 HydrophobicContact CE2-CB 4.33Å; F129-E361 HydrophobicContact CE2-CG 3.94Å; F129-E361 HydrophobicContact CG-CB 4.12Å; F129-E361 HydrophobicContact CZ-CB 4.06Å; F129-E361 HydrophobicContact CZ-CG 3.62Å
130	G	97.6	Very high	97.1	Very high	20 Å²	20	65 Å²	65	21%	0.206	36%	0.355	C	S	.	.			trans	80.9	178.6	-173.9	0	0	0	0	0	113.6	N128 L132	N128-G130 PolarHBondContact OD1-N 3.37Å; G130-L132 PolarHBondContact O-N 3.21Å; G130-L132 VanDerWaalsContact O-N 3.14Å
131	D	97.1	Very high	97.3	Very high	94 Å²	94	64.5 Å²	64.5	50%	0.503	34%	0.343	S	S	.	.			trans	-76.6	96.8	171.1	173.4	17.5	0	0	0	109.8	K133 S134 L135	D131-K133 PolarHBondContact O-N 3.01Å; D131-K133 WeakPolarHBondContact OD1-CB 3.4Å; D131-K133 PolarHBondContact OD1-N 3.29Å; D131-S134 WeakPolarHBondContact CB-OG 3.36Å; D131-S134 PolarHBondContact O-N 2.66Å; D131-S134 PolarHBondContact O-OG 2.98Å; D131-S134 WeakPolarHBondContact OD2-CB 3.43Å; D131-S134 PolarHBondContact OD2-OG 2.97Å; D131-L135 VanDerWaalsContact O-CB 3.29Å; D131-L135 WeakPolarHBondContact O-CB 3.33Å; D131-L135 PolarHBondContact O-N 3.41Å
132	L	95.5	Very high	97.3	Very high	23 Å²	23	62.5 Å²	62.5	12%	0.12	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.7	-177.5	-58.6	-178.5	0	0	0	113.4	F129 G130 L135 Y270 K271 A274 D275	F129-L132 HydrophobicContact CB-CD2 4.2Å; G130-L132 PolarHBondContact O-N 3.21Å; G130-L132 VanDerWaalsContact O-N 3.14Å; L132-L135 HydrophobicContact CD2-CD2 4.44Å; L132-Y270 HydrophobicContact CD2-CD1 4.47Å; L132-Y270 HydrophobicContact CD2-CE1 4.15Å; L132-K271 HydrophobicContact CD2-CG 4.41Å; L132-K271 WeakPolarHBondContact O-CD 3.49Å; L132-K271 WeakPolarHBondContact O-CE 3.43Å; L132-K271 PolarHBondContact O-NZ 3.06Å; L132-A274 HydrophobicContact CD1-CB 3.71Å; L132-A274 HydrophobicContact CD2-CB 3.88Å; L132-A274 HydrophobicContact CG-CB 4.45Å; L132-D275 WeakPolarHBondContact CD1-OD1 3.34Å
133	K	95.2	Very high	97.3	Very high	194 Å²	194	62.6 Å²	62.6	84%	0.843	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-42.4	178.1	-64.8	-179.5	-178.9	177.5	0	111.8	D131	D131-K133 PolarHBondContact O-N 3.01Å; D131-K133 WeakPolarHBondContact OD1-CB 3.4Å; D131-K133 PolarHBondContact OD1-N 3.29Å
134	S	94.7	Very high	97.2	Very high	87 Å²	87	57.8 Å²	57.8	61%	0.608	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-15	-179	61.7	0	0	0	0	114	D131 S136	D131-S134 WeakPolarHBondContact CB-OG 3.36Å; D131-S134 PolarHBondContact O-N 2.66Å; D131-S134 PolarHBondContact O-OG 2.98Å; D131-S134 WeakPolarHBondContact OD2-CB 3.43Å; D131-S134 PolarHBondContact OD2-OG 2.97Å; S134-S136 PolarHBondContact O-N 3.48Å
135	L	94.7	Very high	97.2	Very high	27 Å²	27	62.9 Å²	62.9	14%	0.141	36%	0.359	C	S	.	.			trans	-62.6	130.6	179.4	-171.3	65.5	0	0	0	111.7	D131 L132 F137 I267 Y270 K271 L362	D131-L135 VanDerWaalsContact O-CB 3.29Å; D131-L135 WeakPolarHBondContact O-CB 3.33Å; D131-L135 PolarHBondContact O-N 3.41Å; L132-L135 HydrophobicContact CD2-CD2 4.44Å; L135-F137 HydrophobicContact CD1-CE2 4.1Å; L135-F137 HydrophobicContact CD1-CZ 4.06Å; L135-F137 HydrophobicContact CD2-CE2 4.05Å; L135-F137 HydrophobicContact CG-CE2 4.11Å; L135-I267 HydrophobicContact CB-CD1 4.21Å; L135-I267 HydrophobicContact CD2-CD1 3.94Å; L135-I267 HydrophobicContact CG-CD1 3.73Å; L135-I267 WeakPolarHBondContact O-CD1 3.36Å; L135-Y270 HydrophobicContact CD2-CD1 3.71Å; L135-Y270 HydrophobicContact CD2-CE1 3.54Å; L135-K271 WeakPolarHBondContact O-CE 3.31Å; L135-K271 PolarHBondContact O-NZ 3.37Å; L135-L362 HydrophobicContact CD1-CD1 3.56Å; L135-L362 HydrophobicContact CD2-CD1 4.01Å; L135-L362 HydrophobicContact CG-CD1 4.45Å
136	S	93.5	Very high	97.2	Very high	92 Å²	92	61.2 Å²	61.2	64%	0.643	35%	0.347	S	S	*	.			trans	-143.6	139.1	177.8	-174.6	0	0	0	0	110.5	S134	S134-S136 PolarHBondContact O-N 3.48Å
137	F	96.8	Very high	97.2	Very high	26 Å²	26	55.2 Å²	55.2	11%	0.114	32%	0.322	C	S	.	.			trans	-128.2	143.7	169.3	-69.2	-63.9	0	0	0	107.6	L135 L266 I267 V365 H369	L135-F137 HydrophobicContact CD1-CE2 4.1Å; L135-F137 HydrophobicContact CD1-CZ 4.06Å; L135-F137 HydrophobicContact CD2-CE2 4.05Å; L135-F137 HydrophobicContact CG-CE2 4.11Å; F137-L266 HydrophobicContact CD2-CD2 4.45Å; F137-I267 HydrophobicContact CB-CB 4.4Å; F137-I267 HydrophobicContact CD2-CB 4.48Å; F137-I267 HydrophobicContact CD2-CD1 3.85Å; F137-I267 HydrophobicContact CE2-CD1 4.38Å; F137-V365 HydrophobicContact CE2-CG1 3.86Å; F137-V365 HydrophobicContact CE2-CG2 4.18Å; F137-V365 HydrophobicContact CZ-CG1 3.85Å; F137-H369 HydrophobicContact CD1-CB 3.93Å; F137-H369 AromaticContact CD1-CG 3.62Å; F137-H369 AromaticContact CD1-ND1 3.75Å; F137-H369 HydrophobicContact CE1-CB 4.19Å; F137-H369 HydrophobicContact CG-CB 4.47Å
138	T	97.7	Very high	97	Very high	63 Å²	63	55 Å²	55	39%	0.387	32%	0.318	S	S	.	.			trans	-64.4	142.3	171.2	50.1	0	0	0	0	110	L140 Y143 H369	T138-L140 PolarHBondContact O-N 2.83Å; T138-Y143 PolarHBondContact OG1-OH 2.81Å; T138-H369 PolarHBondContact O-NE2 3.4Å; T138-H369 PolarHBondContact OG1-CE1 3.37Å; T138-H369 PolarHBondContact OG1-NE2 2.8Å
139	D	98.4	Very high	96.9	Very high	65 Å²	65	52.4 Å²	52.4	35%	0.348	31%	0.306	S	S	.	.			trans	-59.6	126.8	172.1	-171.7	-45	0	0	0	108.9	N141 T142 G264	D139-N141 PolarHBondContact O-N 3.23Å; D139-N141 WeakPolarHBondContact OD1-CB 3.32Å; D139-N141 PolarHBondContact OD1-N 3.16Å; D139-T142 WeakPolarHBondContact O-CB 3.41Å; D139-T142 PolarHBondContact O-N 3.31Å; D139-T142 PolarHBondContact O-OG1 3.06Å; D139-G264 WeakPolarHBondContact OD1-CA 3.38Å
140	L	98.6	Very high	96.9	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-66.4	-18.2	-176.1	-70.4	169.3	0	0	0	113.2	T138 T142 Y143 V147 G264 L266 V310 M368 V372 R373 L376	T138-L140 PolarHBondContact O-N 2.83Å; L140-T142 PolarHBondContact O-N 3.3Å; L140-Y143 HydrophobicContact CD2-CD2 4.43Å; L140-Y143 HydrophobicContact CD2-CE2 4.39Å; L140-Y143 WeakPolarHBondContact O-CD2 3.43Å; L140-Y143 PolarHBondContact O-N 2.91Å; L140-V147 HydrophobicContact CB-CG2 3.87Å; L140-G264 PolarHBondContact N-O 3.46Å; L140-L266 HydrophobicContact CD1-CB 4.48Å; L140-V310 HydrophobicContact CD1-CG1 3.49Å; L140-V310 VanDerWaalsContact CD1-CG1 3.49Å; L140-M368 HydrophobicContact CD1-CE 4.45Å; L140-M368 HydrophobicContact CD1-SD 4.5Å; L140-V372 HydrophobicContact CD1-CG1 4.04Å; L140-V372 HydrophobicContact CD2-CB 4.44Å; L140-V372 HydrophobicContact CD2-CG1 4.08Å; L140-R373 HydrophobicContact CD2-CB 4.38Å; L140-L376 HydrophobicContact CB-CD1 4.15Å; L140-L376 WeakPolarHBondContact O-CD1 3.26Å
141	N	98.4	Very high	96.9	Very high	31 Å²	31	53.4 Å²	53.4	17%	0.166	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-73.3	-9.2	171.1	-85.8	-29.1	0	0	0	113.9	D139 Y143 N145 L146 V147 G264	D139-N141 PolarHBondContact O-N 3.23Å; D139-N141 WeakPolarHBondContact OD1-CB 3.32Å; D139-N141 PolarHBondContact OD1-N 3.16Å; N141-Y143 PolarHBondContact O-N 3.18Å; N141-Y143 VanDerWaalsContact O-N 3.14Å; N141-N145 WeakPolarHBondContact O-CA 3.46Å; N141-N145 PolarHBondContact O-N 3.17Å; N141-N145 VanDerWaalsContact OD1-C 3.29Å; N141-N145 WeakPolarHBondContact OD1-CA 3.41Å; N141-L146 PolarHBondContact OD1-N 3.47Å; N141-V147 PolarHBondContact ND2-O 2.86Å; N141-V147 WeakPolarHBondContact OD1-CA 3.49Å; N141-V147 VanDerWaalsContact OD1-CB 3.27Å; N141-V147 WeakPolarHBondContact OD1-CB 3.39Å; N141-V147 PolarHBondContact OD1-N 3.32Å; N141-V147 PolarHBondContact OD1-O 3.21Å; N141-G264 PolarHBondContact ND2-N 3.16Å
142	T	98.2	Very high	97	Very high	97 Å²	97	48.9 Å²	48.9	60%	0.595	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-54.2	-30.3	167.3	-53.8	0	0	0	0	111.2	D139 L140 G144	D139-T142 WeakPolarHBondContact O-CB 3.41Å; D139-T142 PolarHBondContact O-N 3.31Å; D139-T142 PolarHBondContact O-OG1 3.06Å; L140-T142 PolarHBondContact O-N 3.3Å; T142-G144 PolarHBondContact O-N 3.37Å
143	Y	97.5	Very high	97.1	Very high	24 Å²	24	49.7 Å²	49.7	9%	0.094	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	64.9	-176.4	-46.5	-68.7	0	0	0	111.1	T138 L140 N141 R373 E377	T138-Y143 PolarHBondContact OG1-OH 2.81Å; L140-Y143 HydrophobicContact CD2-CD2 4.43Å; L140-Y143 HydrophobicContact CD2-CE2 4.39Å; L140-Y143 WeakPolarHBondContact O-CD2 3.43Å; L140-Y143 PolarHBondContact O-N 2.91Å; N141-Y143 PolarHBondContact O-N 3.18Å; N141-Y143 VanDerWaalsContact O-N 3.14Å; Y143-R373 HydrophobicContact CD1-CG 4.25Å; Y143-R373 HydrophobicContact CD2-CB 4.28Å; Y143-R373 HydrophobicContact CD2-CG 4.01Å; Y143-R373 HydrophobicContact CE1-CG 3.85Å; Y143-R373 HydrophobicContact CE2-CB 3.97Å; Y143-R373 HydrophobicContact CE2-CG 3.59Å; Y143-R373 HydrophobicContact CG-CG 4.34Å; Y143-R373 VanDerWaalsContact CZ-CD 3.44Å; Y143-R373 VanDerWaalsContact OH-CD 3.26Å; Y143-R373 WeakPolarHBondContact OH-CD 3.37Å; Y143-R373 PolarHBondContact OH-NE 2.83Å; Y143-R373 VanDerWaalsContact OH-NE 3.16Å; Y143-E377 HydrophobicContact CD1-CG 3.51Å; Y143-E377 HydrophobicContact CE1-CG 4.15Å; Y143-E377 VanDerWaalsContact CE1-OE1 3.23Å; Y143-E377 WeakPolarHBondContact CE1-OE1 3.27Å; Y143-E377 HydrophobicContact CG-CG 4.09Å
144	G	97.1	Very high	97.2	Very high	43 Å²	43	40.5 Å²	40.5	44%	0.443	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	8.6	172.1	0	0	0	0	0	116.7	T142 L146	T142-G144 PolarHBondContact O-N 3.37Å; G144-L146 VanDerWaalsContact C-N 3.31Å; G144-L146 WeakPolarHBondContact O-CD2 3.45Å; G144-L146 PolarHBondContact O-N 3.31Å
145	N	98.3	Very high	97.4	Very high	118 Å²	118	36.6 Å²	36.6	63%	0.631	21%	0.214	S	C	*	.	S	Bend	trans	54.2	42.6	-179.4	-168.2	34.4	0	0	0	114	N141	N141-N145 WeakPolarHBondContact O-CA 3.46Å; N141-N145 PolarHBondContact O-N 3.17Å; N141-N145 VanDerWaalsContact OD1-C 3.29Å; N141-N145 WeakPolarHBondContact OD1-CA 3.41Å
146	L	97.8	Very high	97.6	Very high	14 Å²	14	35.4 Å²	35.4	7%	0.073	21%	0.207	C	C	.	.			trans	-95.4	-13.8	-172.5	-58.7	176.7	0	0	0	113.6	N141 G144 A312 K313 L376 E379 V380	N141-L146 PolarHBondContact OD1-N 3.47Å; G144-L146 VanDerWaalsContact C-N 3.31Å; G144-L146 WeakPolarHBondContact O-CD2 3.45Å; G144-L146 PolarHBondContact O-N 3.31Å; L146-A312 WeakPolarHBondContact O-CA 3.27Å; L146-K313 PolarHBondContact O-N 2.93Å; L146-L376 HydrophobicContact CB-CD2 4.04Å; L146-L376 HydrophobicContact CD1-CD2 4.08Å; L146-E379 HydrophobicContact CD1-CB 3.96Å; L146-E379 HydrophobicContact CD1-CG 3.64Å; L146-V380 HydrophobicContact CD1-CG2 4.26Å
147	V	97.9	Very high	97.8	Very high	7 Å²	7	31 Å²	31	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	115.9	-174.9	-179.3	0	0	0	0	111	L140 N141 G263 V310 A312 L376	L140-V147 HydrophobicContact CB-CG2 3.87Å; N141-V147 PolarHBondContact ND2-O 2.86Å; N141-V147 WeakPolarHBondContact OD1-CA 3.49Å; N141-V147 VanDerWaalsContact OD1-CB 3.27Å; N141-V147 WeakPolarHBondContact OD1-CB 3.39Å; N141-V147 PolarHBondContact OD1-N 3.32Å; N141-V147 PolarHBondContact OD1-O 3.21Å; V147-G263 WeakPolarHBondContact CG1-O 3.23Å; V147-V310 HydrophobicContact CG1-CB 3.85Å; V147-V310 HydrophobicContact CG1-CG1 3.86Å; V147-V310 HydrophobicContact CG2-CB 4.37Å; V147-V310 HydrophobicContact CG2-CG1 4.36Å; V147-V310 HydrophobicContact CG2-CG2 4.49Å; V147-A312 HydrophobicContact CG2-CB 4.48Å; V147-L376 HydrophobicContact CG2-CD1 3.71Å
148	V	95.8	Very high	97.9	Very high	46 Å²	46	29.9 Å²	29.9	28%	0.279	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-44.4	175.5	179.9	0	0	0	0	110.9	G263 H311 K313 I348	V148-G263 PolarHBondContact O-N 3.05Å; V148-H311 HydrophobicContact CB-CB 4.29Å; V148-H311 PolarHBondContact N-O 3.28Å; V148-K313 HydrophobicContact CG2-CG 4.37Å; V148-I348 HydrophobicContact CG2-CD1 4.49Å
149	S	96.3	Very high	98	Very high	22 Å²	22	31.3 Å²	31.3	15%	0.154	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	154.7	-179	51.5	0	0	0	0	112.1	Q261 G263 V310 H311	S149-Q261 WeakPolarHBondContact CA-O 3.32Å; S149-Q261 WeakPolarHBondContact CB-O 3.21Å; S149-G263 CarbonylContact C-O 3.56Å; S149-V310 WeakPolarHBondContact O-CA 3.36Å; S149-H311 PolarHBondContact O-N 2.77Å
150	T	98.2	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.9	176.4	-57.8	0	0	0	0	110.1	M260 Q261 G263 G264 L266 V269 V310	T150-M260 VanDerWaalsContact O-CA 3.27Å; T150-M260 WeakPolarHBondContact O-CA 3.45Å; T150-Q261 PolarHBondContact N-O 3.3Å; T150-Q261 PolarHBondContact O-N 2.92Å; T150-G263 WeakPolarHBondContact CB-O 3.23Å; T150-G263 PolarHBondContact N-O 2.95Å; T150-G263 VanDerWaalsContact N-O 3.16Å; T150-G263 PolarHBondContact OG1-O 2.97Å; T150-G264 WeakPolarHBondContact OG1-CA 3.19Å; T150-L266 HydrophobicContact CG2-CB 4.06Å; T150-L266 HydrophobicContact CG2-CD1 3.66Å; T150-L266 HydrophobicContact CG2-CG 4.48Å; T150-V269 HydrophobicContact CG2-CG2 4.42Å; T150-V310 HydrophobicContact CG2-CG1 4.16Å
151	R	98	Very high	97.9	Very high	48 Å²	48	32.5 Å²	32.5	18%	0.181	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	133.5	-174.6	176.4	173.6	-179.4	-73.8	0.5	110.7	I258 S259 M260 A308 S309	R151-I258 HydrophobicContact CG-CG2 3.94Å; R151-I258 VanDerWaalsContact NE-CG2 3.27Å; R151-I258 VanDerWaalsContact NH2-CG1 3.33Å; R151-S259 CarbonylContact C-O 3.48Å; R151-S259 WeakPolarHBondContact CA-O 3.2Å; R151-M260 HydrophobicContact CB-CB 3.95Å; R151-M260 HydrophobicContact CG-CB 4Å; R151-A308 CarbonylContact O-C 3.4Å; R151-S309 PolarHBondContact N-O 3.37Å; R151-S309 PolarHBondContact O-N 2.94Å; R151-S309 VanDerWaalsContact O-O 3.09Å; R151-S309 PolarHBondContact O-OG 3.21Å
152	V	98.4	Very high	97.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.7	170.8	-170.5	0	0	0	0	108.6	S259 L266 V269 Y270 L273 L306 R307 A308	V152-S259 PolarHBondContact N-O 3.28Å; V152-S259 PolarHBondContact O-N 3.27Å; V152-L266 HydrophobicContact CG2-CD1 3.7Å; V152-V269 HydrophobicContact CB-CG1 4.09Å; V152-V269 HydrophobicContact CG2-CG1 3.73Å; V152-Y270 HydrophobicContact CG1-CD2 4.42Å; V152-L273 HydrophobicContact CB-CD2 3.76Å; V152-L273 HydrophobicContact CG1-CD2 3.35Å; V152-L306 HydrophobicContact CG1-CD1 4.08Å; V152-L306 HydrophobicContact CG1-CD2 4.09Å; V152-L306 HydrophobicContact CG1-CG 3.95Å; V152-R307 WeakPolarHBondContact CA-O 3.38Å; V152-A308 HydrophobicContact CG1-CB 4.16Å; V152-A308 HydrophobicContact CG2-CB 3.88Å
153	R	97.9	Very high	97.8	Very high	39 Å²	39	26.9 Å²	26.9	15%	0.147	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	152.5	176	68.6	163.6	-170.8	-164.5	9.4	113.1	V257 I258 L306 R307	R153-V257 CarbonylContact C-O 3.58Å; R153-V257 WeakPolarHBondContact CA-O 3.33Å; R153-I258 HydrophobicContact CB-CG1 4.06Å; R153-L306 WeakPolarHBondContact O-CA 3.44Å; R153-R307 HydrophobicContact CG-CB 3.79Å; R153-R307 PolarHBondContact N-O 2.7Å; R153-R307 PolarHBondContact O-N 2.98Å
154	L	98.3	Very high	97.8	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	156.2	170.5	-68.3	165.5	0	0	0	110.1	F129 R256 V257 L273 I277 T304 T305 L306	F129-L154 HydrophobicContact CE1-CD1 3.93Å; F129-L154 HydrophobicContact CZ-CD1 3.69Å; L154-R256 CarbonylContact O-C 3.58Å; L154-R256 WeakPolarHBondContact O-CA 3.3Å; L154-V257 PolarHBondContact N-O 3.38Å; L154-V257 PolarHBondContact O-N 2.88Å; L154-L273 HydrophobicContact CD1-CD1 4.43Å; L154-L273 HydrophobicContact CD1-CD2 3.78Å; L154-L273 HydrophobicContact CD1-CG 3.87Å; L154-L273 HydrophobicContact CG-CD2 3.84Å; L154-L273 HydrophobicContact CG-CG 4.4Å; L154-I277 HydrophobicContact CD1-CB 4.3Å; L154-I277 HydrophobicContact CD1-CG1 4.32Å; L154-I277 HydrophobicContact CD1-CG2 4Å; L154-T304 WeakPolarHBondContact CD2-O 3.31Å; L154-T305 WeakPolarHBondContact CA-OG1 3.26Å; L154-T305 WeakPolarHBondContact CD2-OG1 3.37Å; L154-L306 HydrophobicContact CD2-CB 3.69Å; L154-L306 HydrophobicContact CD2-CD1 4.11Å; L154-L306 HydrophobicContact CD2-CG 4.09Å
155	G	97.9	Very high	97.8	Very high	4 Å²	4	24.2 Å²	24.2	4%	0.041	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	146.2	167.7	0	0	0	0	0	110.6	I255 T305	G155-I255 CarbonylContact C-O 3.55Å; G155-I255 VanDerWaalsContact CA-O 3.3Å; G155-I255 WeakPolarHBondContact CA-O 3.45Å; G155-T305 PolarHBondContact N-OG1 2.83Å; G155-T305 VanDerWaalsContact O-CG2 3.27Å; G155-T305 WeakPolarHBondContact O-CG2 3.31Å; G155-T305 PolarHBondContact O-OG1 3.07Å
156	R	98.6	Very high	97.7	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147.8	170.9	-67	-62.8	-179.9	-99.7	8.8	111.5	I255 I277 F286 F294 T305 E361	R156-I255 HydrophobicContact CB-CB 4.49Å; R156-I255 PolarHBondContact N-O 2.89Å; R156-I255 PolarHBondContact O-N 3.48Å; R156-I255 VanDerWaalsContact O-N 3.13Å; R156-I277 HydrophobicContact CG-CD1 3.9Å; R156-F286 HydrophobicContact CB-CD1 3.54Å; R156-F286 HydrophobicContact CB-CD2 4.49Å; R156-F286 HydrophobicContact CB-CE1 3.66Å; R156-F286 HydrophobicContact CB-CG 3.98Å; R156-F286 HydrophobicContact CB-CZ 4.19Å; R156-F286 HydrophobicContact CG-CD1 4Å; R156-F286 HydrophobicContact CG-CD2 4.03Å; R156-F286 HydrophobicContact CG-CE1 4.07Å; R156-F286 HydrophobicContact CG-CE2 4.09Å; R156-F286 HydrophobicContact CG-CG 3.98Å; R156-F286 HydrophobicContact CG-CZ 4.1Å; R156-F294 VanDerWaalsContact CD-CD1 3.47Å; R156-F294 VanDerWaalsContact CZ-CD2 3.45Å; R156-F294 VanDerWaalsContact CZ-CE2 3.48Å; R156-T305 PolarHBondContact NH1-OG1 3.47Å; R156-E361 IonicContact NH2-OE1 2.65Å
157	T	98.8	Very high	97.7	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	11%	0.113	C	C	.	.			trans	-110.5	121.1	172.4	-60.7	0	0	0	0	109	L97 F163 F286 A287 I295	L97-T157 HydrophobicContact CB-CG2 4.03Å; L97-T157 HydrophobicContact CD2-CG2 4.06Å; T157-F163 HydrophobicContact CG2-CE1 3.75Å; T157-F163 HydrophobicContact CG2-CZ 3.74Å; T157-F163 WeakPolarHBondContact OG1-CE1 3.46Å; T157-F163 WeakPolarHBondContact OG1-CZ 3.37Å; T157-F286 CarbonylContact O-C 3.59Å; T157-F286 VanDerWaalsContact O-CA 3.31Å; T157-F286 WeakPolarHBondContact O-CA 3.38Å; T157-A287 HydrophobicContact CG2-CB 4.31Å; T157-A287 PolarHBondContact O-N 3.31Å; T157-I295 VanDerWaalsContact CB-O 3.3Å; T157-I295 WeakPolarHBondContact CB-O 3.29Å; T157-I295 PolarHBondContact OG1-O 3.46Å
158	V	98.7	Very high	97.6	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-76.5	128.1	174.3	-177.2	0	0	0	0	109.7	F161 L175 K178 I179 H254 I255 K285 F286	V158-F161 HydrophobicContact CB-CD2 4.38Å; V158-F161 HydrophobicContact CG1-CD2 4.05Å; V158-F161 HydrophobicContact CG1-CE2 4.19Å; V158-L175 HydrophobicContact CB-CD1 3.71Å; V158-L175 HydrophobicContact CG1-CD1 4.16Å; V158-L175 HydrophobicContact CG2-CD1 3.86Å; V158-K178 HydrophobicContact CG1-CD 4.45Å; V158-I179 HydrophobicContact CG2-CD1 4.28Å; V158-I179 HydrophobicContact CG2-CG1 4.14Å; V158-H254 HydrophobicContact CG2-CB 4.43Å; V158-H254 PolarHBondContact N-ND1 3.36Å; V158-H254 VanDerWaalsContact N-ND1 3.1Å; V158-I255 HydrophobicContact CG2-CD1 4.14Å; V158-I255 HydrophobicContact CG2-CG1 4.49Å; V158-K285 WeakPolarHBondContact CA-O 3.26Å; V158-F286 HydrophobicContact CG2-CD1 4.36Å; V158-F286 HydrophobicContact CG2-CE1 4.17Å
159	E	98.2	Very high	97.7	Very high	93 Å²	93	21.7 Å²	21.7	44%	0.435	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	145.8	179.2	-67.3	-177.8	160.7	0	0	112.6	F161 K285 A287	E159-F161 WeakPolarHBondContact O-CD2 3.23Å; E159-K285 HydrophobicContact CB-CB 4.41Å; E159-K285 HydrophobicContact CG-CB 4.34Å; E159-K285 PolarHBondContact N-O 3.06Å; E159-K285 WeakPolarHBondContact OE2-CB 3.23Å; E159-A287 HydrophobicContact CG-CB 4.1Å
160	G	96.5	Very high	97.8	Very high	65 Å²	65	25.9 Å²	25.9	67%	0.67	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.6	-5.4	177.3	0	0	0	0	0	115.1
161	F	98.3	Very high	97.8	Very high	26 Å²	26	28 Å²	28	11%	0.114	15%	0.154	C	C	.	.			trans	-114.8	144.3	178.3	-63.3	-89.6	0	0	0	111.2	V158 E159 L167 T171 E174 L175 K178	V158-F161 HydrophobicContact CB-CD2 4.38Å; V158-F161 HydrophobicContact CG1-CD2 4.05Å; V158-F161 HydrophobicContact CG1-CE2 4.19Å; E159-F161 WeakPolarHBondContact O-CD2 3.23Å; F161-L167 HydrophobicContact CB-CD2 4.25Å; F161-L167 HydrophobicContact CD1-CD2 4.44Å; F161-T171 WeakPolarHBondContact CD1-O 3.25Å; F161-T171 WeakPolarHBondContact CE1-O 3.47Å; F161-E174 HydrophobicContact CE1-CB 4.12Å; F161-L175 HydrophobicContact CB-CD1 4.35Å; F161-L175 HydrophobicContact CB-CD2 3.99Å; F161-L175 HydrophobicContact CD1-CB 3.65Å; F161-L175 HydrophobicContact CD1-CD1 4.36Å; F161-L175 HydrophobicContact CD1-CD2 4.4Å; F161-L175 HydrophobicContact CD1-CG 4.35Å; F161-L175 HydrophobicContact CD2-CD1 3.75Å; F161-L175 HydrophobicContact CE1-CB 3.73Å; F161-L175 HydrophobicContact CE2-CD1 4.06Å; F161-L175 HydrophobicContact CG-CB 4.06Å; F161-L175 HydrophobicContact CG-CD1 3.9Å; F161-L175 HydrophobicContact CG-CD2 4.17Å; F161-L175 HydrophobicContact CG-CG 4.26Å; F161-L175 HydrophobicContact CZ-CB 4.21Å; F161-L175 HydrophobicContact CZ-CD1 4.48Å; F161-K178 HydrophobicContact CE2-CD 4.1Å; F161-K178 HydrophobicContact CZ-CD 4.4Å
162	G	97.6	Very high	97.8	Very high	6 Å²	6	25.9 Å²	25.9	6%	0.062	15%	0.146	C	C	.	.			trans	-81	-179.3	173.4	0	0	0	0	0	112.9	T166 L167 H254	G162-T166 VanDerWaalsContact CA-OG1 3.26Å; G162-T166 WeakPolarHBondContact CA-OG1 3.42Å; G162-L167 WeakPolarHBondContact O-CD1 3.49Å; G162-L167 WeakPolarHBondContact O-CD2 3.49Å; G162-L167 WeakPolarHBondContact O-CG 3.41Å; G162-H254 PolarHBondContact O-CE1 3.24Å; G162-H254 PolarHBondContact O-NE2 3.26Å
163	F	98.5	Very high	97.8	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.013	16%	0.159	C	C	.	.			trans	-95.3	-174.4	168.2	-65.1	-53.6	0	0	0	111	S94 C95 D96 L97 T157 P165 T166 L167 H254 F297	S94-F163 WeakPolarHBondContact O-CD2 3.49Å; S94-F163 VanDerWaalsContact OG-CD2 3.31Å; S94-F163 WeakPolarHBondContact OG-CD2 3.37Å; S94-F163 WeakPolarHBondContact OG-CE2 3.14Å; C95-F163 PolarHBondContact O-N 2.94Å; D96-F163 VanDerWaalsContact C-CD2 3.45Å; D96-F163 VanDerWaalsContact C-CE2 3.5Å; L97-F163 HydrophobicContact CB-CE2 4.44Å; T157-F163 HydrophobicContact CG2-CE1 3.75Å; T157-F163 HydrophobicContact CG2-CZ 3.74Å; T157-F163 WeakPolarHBondContact OG1-CE1 3.46Å; T157-F163 WeakPolarHBondContact OG1-CZ 3.37Å; F163-P165 VanDerWaalsContact C-CD 3.5Å; F163-P165 VanDerWaalsContact C-N 3.31Å; F163-P165 VanDerWaalsContact O-N 3.08Å; F163-T166 PolarHBondContact N-OG1 3.38Å; F163-T166 PolarHBondContact O-N 3.13Å; F163-T166 PolarHBondContact O-OG1 2.81Å; F163-L167 WeakPolarHBondContact O-CG 3.4Å; F163-L167 PolarHBondContact O-N 2.92Å; F163-H254 AromaticContact CD1-CD2 3.79Å; F163-H254 AromaticContact CD1-NE2 3.39Å; F163-H254 WeakPolarHBondContact CD1-NE2 3.12Å; F163-H254 AromaticContact CE1-CD2 3.88Å; F163-H254 AromaticContact CE1-NE2 3.59Å; F163-F297 HydrophobicContact CB-CD2 3.65Å; F163-F297 HydrophobicContact CB-CE2 4Å; F163-F297 HydrophobicContact CD1-CB 4.21Å; F163-F297 HydrophobicContact CD1-CD2 4.27Å; F163-F297 HydrophobicContact CD2-CB 4.47Å; F163-F297 AromaticContact CD2-CD2 3.85Å; F163-F297 HydrophobicContact CD2-CD2 3.85Å; F163-F297 HydrophobicContact CE1-CB 4.23Å; F163-F297 HydrophobicContact CG-CB 4.35Å; F163-F297 AromaticContact CG-CD2 3.68Å; F163-F297 HydrophobicContact CG-CD2 3.68Å; F163-F297 HydrophobicContact CG-CE2 4.5Å; F163-F297 HydrophobicContact CG-CG 4.48Å; F163-F297 HydrophobicContact CZ-CB 4.39Å
164	G	95.8	Very high	97.8	Very high	11 Å²	11	31.9 Å²	31.9	11%	0.113	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-37.1	-52	179.7	0	0	0	0	0	115.2	T166 G226	G164-T166 VanDerWaalsContact C-N 3.31Å; G164-T166 PolarHBondContact O-N 3.35Å; G164-G226 WeakPolarHBondContact CA-O 3.15Å
165	P	97.1	Very high	97.8	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-25	-179.9	-31.3	40.8	0	0	0	117.3	M31 Q78 C95 F163 A225	M31-P165 HydrophobicContact CB-CB 4.3Å; M31-P165 HydrophobicContact CE-CB 3.76Å; M31-P165 HydrophobicContact CE-CG 3.6Å; M31-P165 HydrophobicContact SD-CB 4.43Å; M31-P165 HydrophobicContact SD-CG 4.2Å; Q78-P165 HydrophobicContact CB-CB 4.02Å; Q78-P165 HydrophobicContact CB-CG 4.44Å; Q78-P165 HydrophobicContact CG-CB 4.28Å; C95-P165 HydrophobicContact CB-CB 4.14Å; C95-P165 HydrophobicContact CB-CG 4.5Å; F163-P165 VanDerWaalsContact C-CD 3.5Å; F163-P165 VanDerWaalsContact C-N 3.31Å; F163-P165 VanDerWaalsContact O-N 3.08Å; P165-A225 WeakPolarHBondContact CD-O 3.2Å; P165-A225 VanDerWaalsContact CG-O 3.23Å; P165-A225 WeakPolarHBondContact CG-O 3.38Å
166	T	97.9	Very high	97.9	Very high	10 Å²	10	32.3 Å²	32.3	6%	0.061	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-15.2	-169.8	51.6	0	0	0	0	113.9	G74 C95 D96 G162 F163 G164	G74-T166 VanDerWaalsContact CA-CG2 3.49Å; C95-T166 HydrophobicContact CB-CG2 4.25Å; C95-T166 WeakPolarHBondContact O-CG2 3.33Å; C95-T166 PolarHBondContact O-OG1 3.46Å; D96-T166 HydrophobicContact CB-CG2 4.39Å; G162-T166 VanDerWaalsContact CA-OG1 3.26Å; G162-T166 WeakPolarHBondContact CA-OG1 3.42Å; F163-T166 PolarHBondContact N-OG1 3.38Å; F163-T166 PolarHBondContact O-N 3.13Å; F163-T166 PolarHBondContact O-OG1 2.81Å; G164-T166 VanDerWaalsContact C-N 3.31Å; G164-T166 PolarHBondContact O-N 3.35Å
167	L	97.4	Very high	97.9	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	20%	0.199	C	C	.	.			trans	-65.6	141.3	169.1	-74.4	168	0	0	0	111.1	F161 G162 F163 R172	F161-L167 HydrophobicContact CB-CD2 4.25Å; F161-L167 HydrophobicContact CD1-CD2 4.44Å; G162-L167 WeakPolarHBondContact O-CD1 3.49Å; G162-L167 WeakPolarHBondContact O-CD2 3.49Å; G162-L167 WeakPolarHBondContact O-CG 3.41Å; F163-L167 WeakPolarHBondContact O-CG 3.4Å; F163-L167 PolarHBondContact O-N 2.92Å; L167-R172 HydrophobicContact CB-CB 4.42Å; L167-R172 HydrophobicContact CD1-CB 4.29Å; L167-R172 HydrophobicContact CD1-CG 4.13Å
168	T	96.5	Very high	97.8	Very high	21 Å²	21	40.7 Å²	40.7	13%	0.129	22%	0.218	C	C	.	.			trans	-89.9	167	162.7	83.8	0	0	0	0	109	T28 E170 T171 R172	T28-T168 HydrophobicContact CG2-CG2 3.2Å; T168-E170 VanDerWaalsContact C-N 3.27Å; T168-E170 WeakPolarHBondContact CB-OE2 3.38Å; T168-E170 PolarHBondContact O-N 2.76Å; T168-E170 PolarHBondContact OG1-N 2.95Å; T168-E170 PolarHBondContact OG1-OE2 3.02Å; T168-T171 PolarHBondContact N-OG1 3.16Å; T168-T171 PolarHBondContact O-N 3Å; T168-T171 PolarHBondContact O-OG1 2.96Å; T168-T171 PolarHBondContact OG1-N 2.93Å; T168-T171 PolarHBondContact OG1-OG1 2.87Å; T168-R172 WeakPolarHBondContact O-CB 3.31Å; T168-R172 PolarHBondContact O-N 2.97Å
169	K	97	Very high	97.8	Very high	95 Å²	95	40.6 Å²	40.6	41%	0.413	22%	0.218	S	C	.	.	H	α-helix	trans	-56.1	-45.3	173.7	-173.9	175.1	-179.2	177.9	0	111.3	I173 D230 T233	K169-I173 HydrophobicContact CG-CD1 4.26Å; K169-I173 VanDerWaalsContact O-CG1 3.31Å; K169-I173 WeakPolarHBondContact O-CG1 3.35Å; K169-I173 PolarHBondContact O-N 3.16Å; K169-D230 HydrophobicContact CB-CB 4.48Å; K169-D230 HydrophobicContact CG-CB 4.28Å; K169-T233 HydrophobicContact CG-CG2 4.21Å
170	E	97.7	Very high	97.8	Very high	110 Å²	110	36.6 Å²	36.6	51%	0.514	20%	0.2	S	C	.	.	H	α-helix	trans	-67.2	-49.2	-178	-58.4	69	-147.5	0	0	111.5	T168 R172 I173 E174	T168-E170 VanDerWaalsContact C-N 3.27Å; T168-E170 WeakPolarHBondContact CB-OE2 3.38Å; T168-E170 PolarHBondContact O-N 2.76Å; T168-E170 PolarHBondContact OG1-N 2.95Å; T168-E170 PolarHBondContact OG1-OE2 3.02Å; E170-R172 VanDerWaalsContact C-N 3.26Å; E170-R172 PolarHBondContact O-N 2.89Å; E170-I173 WeakPolarHBondContact O-CB 3.31Å; E170-I173 PolarHBondContact O-N 2.95Å; E170-E174 WeakPolarHBondContact O-CG 3.49Å; E170-E174 PolarHBondContact O-N 3.48Å
171	T	97.8	Very high	97.9	Very high	44 Å²	44	37.4 Å²	37.4	27%	0.27	19%	0.192	S	C	.	.	H	α-helix	trans	-67.2	-28.1	-179.2	50.8	0	0	0	0	112.3	F161 T168 L175	F161-T171 WeakPolarHBondContact CD1-O 3.25Å; F161-T171 WeakPolarHBondContact CE1-O 3.47Å; T168-T171 PolarHBondContact N-OG1 3.16Å; T168-T171 PolarHBondContact O-N 3Å; T168-T171 PolarHBondContact O-OG1 2.96Å; T168-T171 PolarHBondContact OG1-N 2.93Å; T168-T171 PolarHBondContact OG1-OG1 2.87Å; T171-L175 VanDerWaalsContact O-CB 3.31Å; T171-L175 WeakPolarHBondContact O-CB 3.2Å; T171-L175 PolarHBondContact O-N 3.26Å
172	R	98.4	Very high	97.9	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.011	19%	0.188	C	C	.	.	H	α-helix	trans	-68.2	-39.6	170.4	-166.7	-179.4	-65.7	99.3	-2.7	112.3	L167 T168 E170 E176 D230 N250	L167-R172 HydrophobicContact CB-CB 4.42Å; L167-R172 HydrophobicContact CD1-CB 4.29Å; L167-R172 HydrophobicContact CD1-CG 4.13Å; T168-R172 WeakPolarHBondContact O-CB 3.31Å; T168-R172 PolarHBondContact O-N 2.97Å; E170-R172 VanDerWaalsContact C-N 3.26Å; E170-R172 PolarHBondContact O-N 2.89Å; R172-E176 WeakPolarHBondContact O-CB 3.42Å; R172-E176 PolarHBondContact O-N 3.01Å; R172-D230 IonicContact CZ-OD2 2.71Å; R172-D230 IonicContact NH1-OD2 2.57Å; R172-D230 PolarHBondContact NH1-OD2 2.84Å; R172-D230 IonicContact NH2-OD2 3.27Å; R172-N250 HydrophobicContact CG-CB 4.37Å; R172-N250 PolarHBondContact O-ND2 3.46Å
173	I	98.5	Very high	97.9	Very high	54 Å²	54	36.1 Å²	36.1	28%	0.277	19%	0.186	S	C	.	.	H	α-helix	trans	-68.4	-41.7	174.2	-64.9	163.2	0	0	0	110.7	K169 E170 L175 E176 N177 T233	K169-I173 HydrophobicContact CG-CD1 4.26Å; K169-I173 VanDerWaalsContact O-CG1 3.31Å; K169-I173 WeakPolarHBondContact O-CG1 3.35Å; K169-I173 PolarHBondContact O-N 3.16Å; E170-I173 WeakPolarHBondContact O-CB 3.31Å; E170-I173 PolarHBondContact O-N 2.95Å; I173-L175 VanDerWaalsContact C-N 3.31Å; I173-L175 PolarHBondContact O-N 2.99Å; I173-E176 WeakPolarHBondContact O-CB 3.44Å; I173-E176 PolarHBondContact O-N 3.41Å; I173-N177 WeakPolarHBondContact O-CB 3.33Å; I173-N177 VanDerWaalsContact O-CG 3.25Å; I173-N177 PolarHBondContact O-N 3.37Å; I173-N177 PolarHBondContact O-ND2 2.91Å; I173-T233 HydrophobicContact CD1-CG2 3.55Å; I173-T233 HydrophobicContact CG1-CG2 3.62Å
174	E	98.5	Very high	97.9	Very high	111 Å²	111	41.2 Å²	41.2	52%	0.519	21%	0.209	S	C	.	.	H	α-helix	trans	-60.1	-42.9	175.2	-72.8	176.4	-173.3	0	0	111.5	F161 E170 N177 K178	F161-E174 HydrophobicContact CE1-CB 4.12Å; E170-E174 WeakPolarHBondContact O-CG 3.49Å; E170-E174 PolarHBondContact O-N 3.48Å; E174-N177 PolarHBondContact O-N 3.16Å; E174-K178 VanDerWaalsContact O-CB 3.32Å; E174-K178 WeakPolarHBondContact O-CB 3.48Å; E174-K178 PolarHBondContact O-N 2.98Å
175	L	98.6	Very high	97.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-47	173.2	177.7	57.6	0	0	0	111.7	V158 F161 T171 I173 N177 K178 I179 N250 H254	V158-L175 HydrophobicContact CB-CD1 3.71Å; V158-L175 HydrophobicContact CG1-CD1 4.16Å; V158-L175 HydrophobicContact CG2-CD1 3.86Å; F161-L175 HydrophobicContact CB-CD1 4.35Å; F161-L175 HydrophobicContact CB-CD2 3.99Å; F161-L175 HydrophobicContact CD1-CB 3.65Å; F161-L175 HydrophobicContact CD1-CD1 4.36Å; F161-L175 HydrophobicContact CD1-CD2 4.4Å; F161-L175 HydrophobicContact CD1-CG 4.35Å; F161-L175 HydrophobicContact CD2-CD1 3.75Å; F161-L175 HydrophobicContact CE1-CB 3.73Å; F161-L175 HydrophobicContact CE2-CD1 4.06Å; F161-L175 HydrophobicContact CG-CB 4.06Å; F161-L175 HydrophobicContact CG-CD1 3.9Å; F161-L175 HydrophobicContact CG-CD2 4.17Å; F161-L175 HydrophobicContact CG-CG 4.26Å; F161-L175 HydrophobicContact CZ-CB 4.21Å; F161-L175 HydrophobicContact CZ-CD1 4.48Å; T171-L175 VanDerWaalsContact O-CB 3.31Å; T171-L175 WeakPolarHBondContact O-CB 3.2Å; T171-L175 PolarHBondContact O-N 3.26Å; I173-L175 VanDerWaalsContact C-N 3.31Å; I173-L175 PolarHBondContact O-N 2.99Å; L175-N177 PolarHBondContact O-N 3.34Å; L175-K178 PolarHBondContact O-N 3.39Å; L175-I179 HydrophobicContact CD1-CD1 3.55Å; L175-I179 HydrophobicContact CD1-CG1 4.07Å; L175-I179 HydrophobicContact CG-CD1 3.73Å; L175-I179 WeakPolarHBondContact O-CD1 3.37Å; L175-I179 VanDerWaalsContact O-CG1 3.26Å; L175-I179 WeakPolarHBondContact O-CG1 3.43Å; L175-I179 PolarHBondContact O-N 3.06Å; L175-N250 WeakPolarHBondContact CD2-OD1 3.08Å; L175-H254 HydrophobicContact CD1-CB 4.46Å; L175-H254 HydrophobicContact CD2-CB 4.05Å
176	E	98.7	Very high	97.9	Very high	16 Å²	16	46.3 Å²	46.3	8%	0.075	23%	0.234	C	C	.	.	H	α-helix	trans	-55.8	-50.5	175.6	-177.9	-170	-167.3	0	0	111.8	R172 I173 K178 I179 S180 Y194 G234 I249	R172-E176 WeakPolarHBondContact O-CB 3.42Å; R172-E176 PolarHBondContact O-N 3.01Å; I173-E176 WeakPolarHBondContact O-CB 3.44Å; I173-E176 PolarHBondContact O-N 3.41Å; E176-K178 VanDerWaalsContact C-N 3.32Å; E176-K178 PolarHBondContact O-N 3.24Å; E176-I179 PolarHBondContact O-N 3.37Å; E176-S180 WeakPolarHBondContact O-CB 3.37Å; E176-S180 PolarHBondContact O-N 3.2Å; E176-S180 PolarHBondContact O-OG 3.23Å; E176-Y194 VanDerWaalsContact CD-OH 3.26Å; E176-Y194 HydrophobicContact CG-CE1 4.44Å; E176-Y194 WeakPolarHBondContact CG-OH 3.31Å; E176-Y194 PolarHBondContact OE1-OH 2.88Å; E176-G234 VanDerWaalsContact CD-C 3.5Å; E176-G234 WeakPolarHBondContact OE2-CA 3.43Å; E176-G234 PolarHBondContact OE2-N 3.15Å; E176-I249 HydrophobicContact CB-CG2 4.34Å; E176-I249 HydrophobicContact CG-CG2 4.23Å
177	N	98.5	Very high	97.4	Very high	85 Å²	85	50.4 Å²	50.4	46%	0.455	26%	0.263	S	S	.	.	H	α-helix	trans	-61.5	-41.6	179.4	-71.8	-21.6	0	0	0	111.4	I173 E174 L175 S180 T181	I173-N177 WeakPolarHBondContact O-CB 3.33Å; I173-N177 VanDerWaalsContact O-CG 3.25Å; I173-N177 PolarHBondContact O-N 3.37Å; I173-N177 PolarHBondContact O-ND2 2.91Å; E174-N177 PolarHBondContact O-N 3.16Å; L175-N177 PolarHBondContact O-N 3.34Å; N177-S180 WeakPolarHBondContact CA-OG 3.3Å; N177-S180 PolarHBondContact O-OG 2.88Å; N177-T181 VanDerWaalsContact O-CB 3.24Å; N177-T181 WeakPolarHBondContact O-CB 3.41Å; N177-T181 PolarHBondContact O-N 3.28Å; N177-T181 PolarHBondContact O-OG1 3.5Å
178	K	98.5	Very high	97.3	Very high	93 Å²	93	53 Å²	53	40%	0.404	29%	0.291	S	S	.	.	H	α-helix	trans	-63.1	-43.1	177.5	-171.8	174.6	-175.3	172.1	0	111.8	V158 F161 E174 L175 E176 A182 L284	V158-K178 HydrophobicContact CG1-CD 4.45Å; F161-K178 HydrophobicContact CE2-CD 4.1Å; F161-K178 HydrophobicContact CZ-CD 4.4Å; E174-K178 VanDerWaalsContact O-CB 3.32Å; E174-K178 WeakPolarHBondContact O-CB 3.48Å; E174-K178 PolarHBondContact O-N 2.98Å; L175-K178 PolarHBondContact O-N 3.39Å; E176-K178 VanDerWaalsContact C-N 3.32Å; E176-K178 PolarHBondContact O-N 3.24Å; K178-A182 PolarHBondContact O-N 3.5Å; K178-L284 HydrophobicContact CD-CD2 4.38Å; K178-L284 HydrophobicContact CG-CD2 3.83Å
179	I	98.6	Very high	97.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-71.5	-49.2	179.8	-64.6	161.1	0	0	0	110.9	V158 L175 E176 T181 A182 L183 I249 H254 I255 L284	V158-I179 HydrophobicContact CG2-CD1 4.28Å; V158-I179 HydrophobicContact CG2-CG1 4.14Å; L175-I179 HydrophobicContact CD1-CD1 3.55Å; L175-I179 HydrophobicContact CD1-CG1 4.07Å; L175-I179 HydrophobicContact CG-CD1 3.73Å; L175-I179 WeakPolarHBondContact O-CD1 3.37Å; L175-I179 VanDerWaalsContact O-CG1 3.26Å; L175-I179 WeakPolarHBondContact O-CG1 3.43Å; L175-I179 PolarHBondContact O-N 3.06Å; E176-I179 PolarHBondContact O-N 3.37Å; I179-T181 VanDerWaalsContact C-N 3.3Å; I179-T181 PolarHBondContact O-N 3.12Å; I179-A182 WeakPolarHBondContact O-CB 3.46Å; I179-A182 PolarHBondContact O-N 3.49Å; I179-A182 VanDerWaalsContact O-N 3.11Å; I179-L183 HydrophobicContact CG2-CD1 3.92Å; I179-L183 HydrophobicContact CG2-CG 4.38Å; I179-L183 WeakPolarHBondContact O-CG 3.37Å; I179-L183 PolarHBondContact O-N 2.85Å; I179-I249 HydrophobicContact CB-CD1 4.02Å; I179-I249 HydrophobicContact CB-CG2 4.48Å; I179-I249 HydrophobicContact CD1-CG2 3.93Å; I179-I249 HydrophobicContact CG2-CD1 3.55Å; I179-I249 HydrophobicContact CG2-CG1 3.87Å; I179-H254 HydrophobicContact CD1-CB 4.27Å; I179-I255 HydrophobicContact CD1-CD1 4.18Å; I179-I255 HydrophobicContact CD1-CG1 3.67Å; I179-I255 HydrophobicContact CG1-CD1 3.9Å; I179-I255 HydrophobicContact CG1-CG1 3.97Å; I179-I255 HydrophobicContact CG2-CD1 3.82Å; I179-I255 HydrophobicContact CG2-CG1 3.91Å; I179-L284 HydrophobicContact CG1-CD1 4.37Å
180	S	98.1	Very high	97.3	Very high	9 Å²	9	52.3 Å²	52.3	6%	0.063	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-38.3	179.3	53.9	0	0	0	0	112.1	E176 N177 A182 L183 H184	E176-S180 WeakPolarHBondContact O-CB 3.37Å; E176-S180 PolarHBondContact O-N 3.2Å; E176-S180 PolarHBondContact O-OG 3.23Å; N177-S180 WeakPolarHBondContact CA-OG 3.3Å; N177-S180 PolarHBondContact O-OG 2.88Å; S180-A182 PolarHBondContact O-N 2.94Å; S180-L183 PolarHBondContact O-N 3.4Å; S180-H184 PolarHBondContact O-CD2 2.95Å; S180-H184 PolarHBondContact O-N 3.39Å
181	T	98.3	Very high	97.3	Very high	81 Å²	81	52 Å²	52	50%	0.497	29%	0.285	S	S	.	.	H	α-helix	trans	-59.9	-45.1	172.3	-59.7	0	0	0	0	111.7	N177 I179 L183 H184 N185	N177-T181 VanDerWaalsContact O-CB 3.24Å; N177-T181 WeakPolarHBondContact O-CB 3.41Å; N177-T181 PolarHBondContact O-N 3.28Å; N177-T181 PolarHBondContact O-OG1 3.5Å; I179-T181 VanDerWaalsContact C-N 3.3Å; I179-T181 PolarHBondContact O-N 3.12Å; T181-L183 VanDerWaalsContact C-N 3.31Å; T181-L183 PolarHBondContact O-N 3.35Å; T181-H184 PolarHBondContact O-N 3.34Å; T181-N185 PolarHBondContact O-N 3.46Å; T181-N185 PolarHBondContact O-ND2 2.87Å
182	A	98.2	Very high	97.3	Very high	5 Å²	5	50.8 Å²	50.8	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-36.5	176.8	0	0	0	0	0	112.3	K178 I179 S180 N185 L280 L284	K178-A182 PolarHBondContact O-N 3.5Å; I179-A182 WeakPolarHBondContact O-CB 3.46Å; I179-A182 PolarHBondContact O-N 3.49Å; I179-A182 VanDerWaalsContact O-N 3.11Å; S180-A182 PolarHBondContact O-N 2.94Å; A182-N185 PolarHBondContact O-N 3.19Å; A182-L280 HydrophobicContact CB-CD2 3.95Å; A182-L284 HydrophobicContact CB-CD1 3.9Å; A182-L284 HydrophobicContact CB-CD2 4.09Å; A182-L284 HydrophobicContact CB-CG 3.85Å
183	L	98.2	Very high	97.2	Very high	1 Å²	1	54 Å²	54	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-68.2	-40.3	175.8	-68.4	167.8	0	0	0	112.4	I179 S180 T181 N185 L186 F238 V247 I249 L280	I179-L183 HydrophobicContact CG2-CD1 3.92Å; I179-L183 HydrophobicContact CG2-CG 4.38Å; I179-L183 WeakPolarHBondContact O-CG 3.37Å; I179-L183 PolarHBondContact O-N 2.85Å; S180-L183 PolarHBondContact O-N 3.4Å; T181-L183 VanDerWaalsContact C-N 3.31Å; T181-L183 PolarHBondContact O-N 3.35Å; L183-N185 PolarHBondContact O-N 2.84Å; L183-L186 HydrophobicContact CD2-CD1 3.97Å; L183-L186 WeakPolarHBondContact O-CB 3.16Å; L183-L186 PolarHBondContact O-N 3.43Å; L183-L186 VanDerWaalsContact O-N 3.09Å; L183-F238 HydrophobicContact CB-CD2 4.03Å; L183-F238 HydrophobicContact CB-CE2 4.2Å; L183-F238 HydrophobicContact CB-CG 4.32Å; L183-F238 HydrophobicContact CD1-CB 3.87Å; L183-F238 HydrophobicContact CD1-CD2 4.47Å; L183-F238 HydrophobicContact CD1-CG 4.19Å; L183-V247 HydrophobicContact CD1-CB 4.11Å; L183-V247 HydrophobicContact CD1-CG1 4.02Å; L183-V247 HydrophobicContact CD1-CG2 4.47Å; L183-V247 HydrophobicContact CD2-CB 4.24Å; L183-V247 HydrophobicContact CD2-CG1 4.36Å; L183-V247 HydrophobicContact CD2-CG2 3.71Å; L183-I249 HydrophobicContact CD1-CD1 3.93Å; L183-I249 HydrophobicContact CD1-CG1 4.47Å; L183-L280 HydrophobicContact CD2-CD1 4.02Å; L183-L280 HydrophobicContact CD2-CD2 3.95Å; L183-L280 HydrophobicContact CG-CD2 4.39Å
184	H	97.1	Very high	97.2	Very high	110 Å²	110	53 Å²	53	51%	0.509	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-25.3	175.4	-79	-57.8	0	0	0	113.3	S180 T181 L186	S180-H184 PolarHBondContact O-CD2 2.95Å; S180-H184 PolarHBondContact O-N 3.39Å; T181-H184 PolarHBondContact O-N 3.34Å; H184-L186 VanDerWaalsContact C-N 3.31Å
185	N	96.7	Very high	97.1	Very high	109 Å²	109	51.6 Å²	51.6	58%	0.583	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-6.6	176.2	-67.2	-22.1	0	0	0	113.4	T181 A182 L183	T181-N185 PolarHBondContact O-N 3.46Å; T181-N185 PolarHBondContact O-ND2 2.87Å; A182-N185 PolarHBondContact O-N 3.19Å; L183-N185 PolarHBondContact O-N 2.84Å
186	L	95.8	Very high	97.1	Very high	10 Å²	10	54 Å²	54	5%	0.052	30%	0.301	C	S	.	.			trans	-69.3	134.6	170.1	-61.5	177.5	0	0	0	109.4	L183 H184 Y190 F245 E279 L280	L183-L186 HydrophobicContact CD2-CD1 3.97Å; L183-L186 WeakPolarHBondContact O-CB 3.16Å; L183-L186 PolarHBondContact O-N 3.43Å; L183-L186 VanDerWaalsContact O-N 3.09Å; H184-L186 VanDerWaalsContact C-N 3.31Å; L186-Y190 HydrophobicContact CB-CG 4.34Å; L186-Y190 HydrophobicContact CD1-CG 4.36Å; L186-F245 HydrophobicContact CD1-CE1 4.36Å; L186-E279 HydrophobicContact CD2-CB 3.68Å; L186-E279 HydrophobicContact CD2-CG 3.5Å; L186-E279 VanDerWaalsContact CD2-CG 3.5Å; L186-L280 HydrophobicContact CD1-CD2 4.12Å; L186-L280 HydrophobicContact CD1-CG 4.23Å; L186-L280 HydrophobicContact CD2-CD2 4.23Å; L186-L280 HydrophobicContact CD2-CG 4.26Å; L186-L280 HydrophobicContact CG-CD2 4.26Å
187	S	87.9	Confident	97	Very high	96 Å²	96	54.1 Å²	54.1	67%	0.671	30%	0.302	S	S	*	.			trans	-114	171.2	-176.9	61.1	0	0	0	0	112	E189	S187-E189 PolarHBondContact O-N 3.27Å
188	G	95.4	Very high	96.9	Very high	60 Å²	60	53.5 Å²	53.5	62%	0.619	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	68.3	-123.8	175	0	0	0	0	0	113.3	Y190 E191	G188-Y190 PolarHBondContact O-N 3.35Å; G188-Y190 VanDerWaalsContact O-N 3.1Å; G188-E191 PolarHBondContact O-N 2.81Å
189	E	96.6	Very high	96.8	Very high	81 Å²	81	53 Å²	53	38%	0.379	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-59.3	-21.7	-177.3	-173.4	176.9	-169.7	0	0	113.4	S187 N240 Q242 R272	S187-E189 PolarHBondContact O-N 3.27Å; E189-N240 PolarHBondContact O-ND2 2.99Å; E189-Q242 PolarHBondContact O-OE1 2.97Å; E189-R272 WeakPolarHBondContact OE1-CD 3.27Å; E189-R272 IonicContact OE1-CZ 3.88Å; E189-R272 IonicContact OE1-NE 2.73Å; E189-R272 PolarHBondContact OE1-NE 3.09Å; E189-R272 IonicContact OE1-NH2 3.67Å
190	Y	97.9	Very high	96.7	Very high	21 Å²	21	54.7 Å²	54.7	8%	0.082	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-94	-3.5	-175.5	-55	-64.4	0	0	0	114.3	L186 G188 G192 F238 F245 R272 D275 A276	L186-Y190 HydrophobicContact CB-CG 4.34Å; L186-Y190 HydrophobicContact CD1-CG 4.36Å; G188-Y190 PolarHBondContact O-N 3.35Å; G188-Y190 VanDerWaalsContact O-N 3.1Å; Y190-G192 PolarHBondContact O-N 2.84Å; Y190-F238 WeakPolarHBondContact O-CE1 3.3Å; Y190-F238 VanDerWaalsContact O-CZ 3.24Å; Y190-F238 WeakPolarHBondContact O-CZ 3.44Å; Y190-F245 AromaticContact CD1-CD1 3.95Å; Y190-F245 HydrophobicContact CD1-CD1 3.95Å; Y190-F245 HydrophobicContact CD1-CD2 4.15Å; Y190-F245 HydrophobicContact CD1-CE1 4.13Å; Y190-F245 HydrophobicContact CD1-CE2 4.32Å; Y190-F245 AromaticContact CD1-CG 3.95Å; Y190-F245 HydrophobicContact CD1-CG 3.95Å; Y190-F245 HydrophobicContact CD1-CZ 4.31Å; Y190-F245 HydrophobicContact CE1-CD2 4.1Å; Y190-F245 HydrophobicContact CE1-CE2 4.28Å; Y190-F245 HydrophobicContact CE1-CG 4.3Å; Y190-R272 HydrophobicContact CE1-CG 3.71Å; Y190-R272 WeakPolarHBondContact CE1-O 3.44Å; Y190-R272 PolarHBondContact OH-O 2.84Å; Y190-D275 WeakPolarHBondContact OH-CB 3.49Å; Y190-A276 HydrophobicContact CD1-CB 4.02Å; Y190-A276 HydrophobicContact CE1-CB 3.51Å; Y190-A276 HydrophobicContact CE2-CB 4.37Å; Y190-A276 PolarHBondContact OH-N 2.66Å
191	E	97.6	Very high	96.6	Very high	102 Å²	102	56.7 Å²	56.7	48%	0.477	35%	0.345	S	S	.	.			trans	-57.3	130.6	177.8	-164.1	-166.4	157.1	0	0	109.9	G188 N240 K241	G188-E191 PolarHBondContact O-N 2.81Å; E191-N240 CarbonylContact O-C 3.53Å; E191-N240 WeakPolarHBondContact O-CA 3.3Å; E191-K241 VanDerWaalsContact CD-CE 3.43Å; E191-K241 WeakPolarHBondContact O-CG 3.32Å; E191-K241 PolarHBondContact O-N 2.83Å; E191-K241 VanDerWaalsContact OE1-CE 3.28Å; E191-K241 WeakPolarHBondContact OE1-CE 3.34Å; E191-K241 IonicContact OE1-NZ 2.67Å; E191-K241 PolarHBondContact OE1-NZ 3.38Å; E191-K241 IonicContact OE2-NZ 2.72Å; E191-K241 PolarHBondContact OE2-NZ 3.28Å
192	G	96.5	Very high	96.3	Very high	20 Å²	20	57.6 Å²	57.6	21%	0.206	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	-173.3	-166.5	0	0	0	0	0	114.3	Y190 I239	Y190-G192 PolarHBondContact O-N 2.84Å; G192-I239 CarbonylContact C-O 3.54Å; G192-I239 WeakPolarHBondContact CA-O 3.27Å
193	T	96.7	Very high	96.1	Very high	69 Å²	69	64.9 Å²	64.9	42%	0.423	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.3	-178.7	-53	0	0	0	0	109.6	Y195 F238 I239	T193-Y195 HydrophobicContact CG2-CD1 4.41Å; T193-Y195 HydrophobicContact CG2-CD2 4.16Å; T193-Y195 HydrophobicContact CG2-CE1 3.93Å; T193-Y195 HydrophobicContact CG2-CE2 3.64Å; T193-Y195 VanDerWaalsContact CG2-CZ 3.5Å; T193-Y195 WeakPolarHBondContact O-CD2 3.46Å; T193-Y195 WeakPolarHBondContact O-CE2 3.43Å; T193-F238 WeakPolarHBondContact O-CA 3.1Å; T193-I239 PolarHBondContact N-O 3.43Å; T193-I239 PolarHBondContact O-N 3.1Å
194	Y	98.1	Very high	95.9	Very high	33 Å²	33	67.8 Å²	67.8	13%	0.129	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.8	168.5	-176.6	-118.8	0	0	0	109.6	E176 P196 G236 I237 F238 I249	E176-Y194 VanDerWaalsContact CD-OH 3.26Å; E176-Y194 HydrophobicContact CG-CE1 4.44Å; E176-Y194 WeakPolarHBondContact CG-OH 3.31Å; E176-Y194 PolarHBondContact OE1-OH 2.88Å; Y194-P196 HydrophobicContact CE1-CB 4.07Å; Y194-G236 VanDerWaalsContact OH-CA 3.25Å; Y194-G236 WeakPolarHBondContact OH-CA 3.29Å; Y194-G236 PolarHBondContact OH-N 3.48Å; Y194-I237 WeakPolarHBondContact CD2-O 3.17Å; Y194-F238 HydrophobicContact CD2-CB 4.21Å; Y194-I249 HydrophobicContact CD2-CD1 4.14Å; Y194-I249 HydrophobicContact CE2-CD1 3.34Å; Y194-I249 HydrophobicContact CE2-CG1 4.09Å
195	Y	97.1	Very high	95.6	Very high	82 Å²	82	67.7 Å²	67.7	32%	0.322	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	96.7	177.5	-59	-93.5	0	0	0	108.4	T193 G236 I237 I239	T193-Y195 HydrophobicContact CG2-CD1 4.41Å; T193-Y195 HydrophobicContact CG2-CD2 4.16Å; T193-Y195 HydrophobicContact CG2-CE1 3.93Å; T193-Y195 HydrophobicContact CG2-CE2 3.64Å; T193-Y195 VanDerWaalsContact CG2-CZ 3.5Å; T193-Y195 WeakPolarHBondContact O-CD2 3.46Å; T193-Y195 WeakPolarHBondContact O-CE2 3.43Å; Y195-G236 VanDerWaalsContact O-CA 3.25Å; Y195-G236 WeakPolarHBondContact O-CA 3.24Å; Y195-I237 HydrophobicContact CD2-CG1 4.33Å; Y195-I237 PolarHBondContact N-O 2.85Å; Y195-I237 PolarHBondContact O-N 2.69Å; Y195-I239 HydrophobicContact CD2-CD1 4.4Å; Y195-I239 HydrophobicContact CD2-CG1 4.49Å; Y195-I239 HydrophobicContact CE2-CD1 4.24Å; Y195-I239 HydrophobicContact CE2-CG1 4.42Å
196	P	98	Very high	95.3	Very high	52 Å²	52	66.6 Å²	66.6	34%	0.338	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	139.9	171	27.6	-33.5	0	0	0	109.2	Y194 T198	Y194-P196 HydrophobicContact CE1-CB 4.07Å; P196-T198 PolarHBondContact O-N 3.17Å
197	L	97.5	Very high	95.1	Very high	18 Å²	18	70.7 Å²	70.7	9%	0.094	40%	0.398	C	S	.	.	S	Bend	trans	-68.3	-29.4	174.6	-88.2	64.2	0	0	0	110.8	G199 M200 L214 F215 W231 P232 R235 G236 I237	L197-G199 PolarHBondContact O-N 3.33Å; L197-M200 PolarHBondContact O-N 3.02Å; L197-L214 HydrophobicContact CD1-CD1 3.71Å; L197-L214 HydrophobicContact CG-CD1 4.14Å; L197-F215 HydrophobicContact CD1-CE1 4.29Å; L197-F215 HydrophobicContact CD1-CZ 3.96Å; L197-F215 HydrophobicContact CD2-CE2 3.77Å; L197-F215 HydrophobicContact CD2-CZ 3.94Å; L197-W231 HydrophobicContact CD2-CH2 3.45Å; L197-W231 VanDerWaalsContact CD2-CH2 3.45Å; L197-W231 HydrophobicContact CD2-CZ2 3.48Å; L197-W231 VanDerWaalsContact CD2-CZ2 3.48Å; L197-W231 HydrophobicContact CD2-CZ3 4.23Å; L197-P232 HydrophobicContact CB-CB 3.81Å; L197-P232 HydrophobicContact CD2-CB 4.45Å; L197-R235 HydrophobicContact CD2-CB 4.26Å; L197-R235 PolarHBondContact N-O 2.79Å; L197-G236 VanDerWaalsContact CD1-CA 3.41Å; L197-I237 HydrophobicContact CD1-CG2 4.49Å
198	T	97	Very high	95.3	Very high	72 Å²	72	66.5 Å²	66.5	44%	0.442	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	115.3	174.1	-59.6	0	0	0	0	109.5	P196 P232 T233	P196-T198 PolarHBondContact O-N 3.17Å; T198-P232 PolarHBondContact OG1-O 3.17Å; T198-T233 WeakPolarHBondContact OG1-CA 3.31Å
199	G	95.9	Very high	94.9	Very high	81 Å²	81	65.2 Å²	65.2	84%	0.835	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	2.7	-178.6	0	0	0	0	0	115	L197 S201	L197-G199 PolarHBondContact O-N 3.33Å; G199-S201 PolarHBondContact O-N 2.69Å
200	M	96.3	Very high	94.2	Very high	37 Å²	37	66.5 Å²	66.5	18%	0.182	36%	0.358	C	S	.	.			trans	-61.7	132.4	172.5	-176.9	178.6	-75.4	0	0	110.3	L197 D204 R205 L208 L214	L197-M200 PolarHBondContact O-N 3.02Å; M200-D204 HydrophobicContact CG-CB 3.97Å; M200-R205 HydrophobicContact CG-CB 4.41Å; M200-R205 HydrophobicContact SD-CB 4.06Å; M200-R205 HydrophobicContact SD-CG 4.49Å; M200-L208 HydrophobicContact CE-CD1 3.68Å; M200-L208 HydrophobicContact SD-CD1 3.93Å; M200-L214 HydrophobicContact CE-CD1 4.4Å; M200-L214 HydrophobicContact CE-CD2 4.5Å; M200-L214 HydrophobicContact SD-CD2 3.66Å
201	S	95.3	Very high	93.7	Very high	50 Å²	50	68.4 Å²	68.4	35%	0.35	37%	0.369	S	S	.	.			trans	-64.5	150.2	176	78	0	0	0	0	110.7	G199 E203 D204 R205	G199-S201 PolarHBondContact O-N 2.69Å; S201-E203 PolarHBondContact O-N 2.68Å; S201-D204 PolarHBondContact O-N 3.42Å; S201-D204 WeakPolarHBondContact OG-CB 3.28Å; S201-D204 PolarHBondContact OG-N 3.24Å; S201-D204 PolarHBondContact OG-OD2 3.47Å; S201-R205 WeakPolarHBondContact O-CB 3.24Å; S201-R205 PolarHBondContact O-N 2.92Å
202	E	92.3	Very high	93	Very high	101 Å²	101	69.4 Å²	69.4	47%	0.472	37%	0.373	S	S	.	.	H	α-helix	trans	-61.5	-33.7	176.1	-177.8	58.4	-156.7	0	0	111.8	R205 I206	E202-R205 WeakPolarHBondContact O-CB 3.41Å; E202-R205 PolarHBondContact O-N 3.29Å; E202-R205 IonicContact OE1-CZ 3.97Å; E202-R205 VanDerWaalsContact OE1-CZ 3.27Å; E202-R205 IonicContact OE1-NE 2.96Å; E202-R205 PolarHBondContact OE1-NE 2.88Å; E202-R205 IonicContact OE1-NH2 3.91Å; E202-R205 PolarHBondContact OE1-NH2 2.91Å; E202-R205 IonicContact OE2-CZ 3.61Å; E202-R205 IonicContact OE2-NE 2.71Å; E202-R205 PolarHBondContact OE2-NE 2.97Å; E202-R205 IonicContact OE2-NH2 3.91Å; E202-R205 PolarHBondContact OE2-NH2 3.26Å; E202-I206 HydrophobicContact CG-CD1 4.09Å; E202-I206 WeakPolarHBondContact O-CG1 3.49Å; E202-I206 PolarHBondContact O-N 3.48Å
203	E	94.4	Very high	92.7	Very high	157 Å²	157	69.2 Å²	69.2	73%	0.734	37%	0.367	S	S	*	.	H	α-helix	trans	-63.2	-50.2	176	-175.3	179.4	174.3	0	0	111.7	S201 R205 I206 K207	S201-E203 PolarHBondContact O-N 2.68Å; E203-R205 VanDerWaalsContact C-N 3.29Å; E203-R205 PolarHBondContact O-N 3.17Å; E203-I206 PolarHBondContact O-N 2.74Å; E203-K207 WeakPolarHBondContact O-CB 3.41Å; E203-K207 PolarHBondContact O-N 2.81Å
204	D	93.6	Very high	92.4	Very high	63 Å²	63	66.7 Å²	66.7	34%	0.337	35%	0.351	S	S	.	.	H	α-helix	trans	-62.4	-40	176	-70.4	-45.9	0	0	0	111.1	M200 S201 K207 L208	M200-D204 HydrophobicContact CG-CB 3.97Å; S201-D204 PolarHBondContact O-N 3.42Å; S201-D204 WeakPolarHBondContact OG-CB 3.28Å; S201-D204 PolarHBondContact OG-N 3.24Å; S201-D204 PolarHBondContact OG-OD2 3.47Å; D204-K207 PolarHBondContact O-N 3.12Å; D204-L208 HydrophobicContact CB-CD1 4.47Å; D204-L208 VanDerWaalsContact O-CB 3.3Å; D204-L208 WeakPolarHBondContact O-CB 3.09Å; D204-L208 WeakPolarHBondContact O-CD1 3.16Å; D204-L208 WeakPolarHBondContact O-CG 3.38Å; D204-L208 PolarHBondContact O-N 2.97Å
205	R	91.7	Very high	92.2	Very high	107 Å²	107	65.7 Å²	65.7	40%	0.404	35%	0.347	S	S	.	.	H	α-helix	trans	-58.4	-51.9	177.5	-171.3	179.1	73.2	112.6	-9.7	111.1	M200 S201 E202 E203 K207 L208 V209 L214	M200-R205 HydrophobicContact CG-CB 4.41Å; M200-R205 HydrophobicContact SD-CB 4.06Å; M200-R205 HydrophobicContact SD-CG 4.49Å; S201-R205 WeakPolarHBondContact O-CB 3.24Å; S201-R205 PolarHBondContact O-N 2.92Å; E202-R205 WeakPolarHBondContact O-CB 3.41Å; E202-R205 PolarHBondContact O-N 3.29Å; E202-R205 IonicContact OE1-CZ 3.97Å; E202-R205 VanDerWaalsContact OE1-CZ 3.27Å; E202-R205 IonicContact OE1-NE 2.96Å; E202-R205 PolarHBondContact OE1-NE 2.88Å; E202-R205 IonicContact OE1-NH2 3.91Å; E202-R205 PolarHBondContact OE1-NH2 2.91Å; E202-R205 IonicContact OE2-CZ 3.61Å; E202-R205 IonicContact OE2-NE 2.71Å; E202-R205 PolarHBondContact OE2-NE 2.97Å; E202-R205 IonicContact OE2-NH2 3.91Å; E202-R205 PolarHBondContact OE2-NH2 3.26Å; E203-R205 VanDerWaalsContact C-N 3.29Å; E203-R205 PolarHBondContact O-N 3.17Å; R205-K207 PolarHBondContact O-N 2.97Å; R205-L208 PolarHBondContact O-N 3.43Å; R205-V209 WeakPolarHBondContact O-CB 3.45Å; R205-V209 VanDerWaalsContact O-CG2 3.27Å; R205-V209 WeakPolarHBondContact O-CG2 3.38Å; R205-V209 PolarHBondContact O-N 2.73Å; R205-L214 HydrophobicContact CB-CD2 4.22Å; R205-L214 HydrophobicContact CG-CD2 3.6Å
206	I	90	Very high	91.8	Very high	86 Å²	86	67.8 Å²	67.8	44%	0.441	35%	0.354	S	S	.	.	H	α-helix	trans	-61	-46.4	178.7	-70.2	168.2	0	0	0	110.3	E202 E203 L208 V209 N210	E202-I206 HydrophobicContact CG-CD1 4.09Å; E202-I206 WeakPolarHBondContact O-CG1 3.49Å; E202-I206 PolarHBondContact O-N 3.48Å; E203-I206 PolarHBondContact O-N 2.74Å; I206-L208 PolarHBondContact O-N 3.27Å; I206-V209 PolarHBondContact O-N 3.03Å; I206-N210 WeakPolarHBondContact O-CB 3.48Å; I206-N210 VanDerWaalsContact O-CG 3.22Å; I206-N210 PolarHBondContact O-N 3.49Å; I206-N210 PolarHBondContact O-ND2 2.99Å
207	K	91.9	Very high	91.4	Very high	97 Å²	97	68.7 Å²	68.7	42%	0.422	36%	0.356	S	S	.	.	H	α-helix	trans	-61.3	-46.4	-179.6	177.1	165.2	161.7	-77.1	0	112.3	E203 D204 R205 V209 N210 D211	E203-K207 WeakPolarHBondContact O-CB 3.41Å; E203-K207 PolarHBondContact O-N 2.81Å; D204-K207 PolarHBondContact O-N 3.12Å; R205-K207 PolarHBondContact O-N 2.97Å; K207-V209 VanDerWaalsContact C-N 3.33Å; K207-V209 PolarHBondContact O-N 2.89Å; K207-N210 PolarHBondContact O-N 2.99Å; K207-D211 WeakPolarHBondContact O-CB 3.31Å; K207-D211 PolarHBondContact O-N 2.75Å
208	L	91.8	Very high	91.1	Very high	8 Å²	8	72 Å²	72	4%	0.042	37%	0.374	C	S	.	.	H	α-helix	trans	-69.9	-29.5	179.6	-67.7	165.1	0	0	0	112.6	M200 D204 R205 I206 H212 F213 L214 I237 I239	M200-L208 HydrophobicContact CE-CD1 3.68Å; M200-L208 HydrophobicContact SD-CD1 3.93Å; D204-L208 HydrophobicContact CB-CD1 4.47Å; D204-L208 VanDerWaalsContact O-CB 3.3Å; D204-L208 WeakPolarHBondContact O-CB 3.09Å; D204-L208 WeakPolarHBondContact O-CD1 3.16Å; D204-L208 WeakPolarHBondContact O-CG 3.38Å; D204-L208 PolarHBondContact O-N 2.97Å; R205-L208 PolarHBondContact O-N 3.43Å; I206-L208 PolarHBondContact O-N 3.27Å; L208-H212 PolarHBondContact O-N 2.74Å; L208-F213 HydrophobicContact CB-CB 4.48Å; L208-F213 HydrophobicContact CD2-CB 4.09Å; L208-F213 HydrophobicContact CD2-CD2 4.09Å; L208-F213 WeakPolarHBondContact O-CA 3.15Å; L208-F213 PolarHBondContact O-N 2.69Å; L208-L214 HydrophobicContact CB-CB 3.61Å; L208-L214 HydrophobicContact CB-CD2 4.23Å; L208-L214 PolarHBondContact O-N 2.66Å; L208-I237 HydrophobicContact CB-CD1 4.38Å; L208-I237 HydrophobicContact CD1-CD1 3.71Å; L208-I237 HydrophobicContact CD2-CD1 3.97Å; L208-I237 HydrophobicContact CG-CD1 4.24Å; L208-I239 HydrophobicContact CD2-CD1 3.52Å
209	V	86.5	Confident	90.9	Very high	32 Å²	32	71.7 Å²	71.7	19%	0.194	37%	0.37	C	S	.	.	H	α-helix	trans	-67.1	-45.6	170.1	168.4	0	0	0	0	110.6	R205 I206 K207 D211 H212 L214 R216	R205-V209 WeakPolarHBondContact O-CB 3.45Å; R205-V209 VanDerWaalsContact O-CG2 3.27Å; R205-V209 WeakPolarHBondContact O-CG2 3.38Å; R205-V209 PolarHBondContact O-N 2.73Å; I206-V209 PolarHBondContact O-N 3.03Å; K207-V209 VanDerWaalsContact C-N 3.33Å; K207-V209 PolarHBondContact O-N 2.89Å; V209-D211 VanDerWaalsContact C-N 3.32Å; V209-D211 PolarHBondContact O-N 3.46Å; V209-H212 WeakPolarHBondContact O-CA 3.4Å; V209-H212 PolarHBondContact O-N 2.89Å; V209-L214 HydrophobicContact CG2-CB 4.07Å; V209-L214 HydrophobicContact CG2-CD2 4.12Å; V209-L214 HydrophobicContact CG2-CG 4.29Å; V209-R216 HydrophobicContact CG2-CG 4.11Å
210	N	83.1	Confident	91	Very high	109 Å²	109	71.5 Å²	71.5	58%	0.583	35%	0.35	S	S	*	.	H	α-helix	trans	-65.5	-34.1	178.8	-68.8	-15.1	0	0	0	112.6	I206 K207 H212	I206-N210 WeakPolarHBondContact O-CB 3.48Å; I206-N210 VanDerWaalsContact O-CG 3.22Å; I206-N210 PolarHBondContact O-N 3.49Å; I206-N210 PolarHBondContact O-ND2 2.99Å; K207-N210 PolarHBondContact O-N 2.99Å; N210-H212 PolarHBondContact O-CD2 2.89Å; N210-H212 PolarHBondContact O-N 2.86Å
211	D	85.8	Confident	91	Very high	60 Å²	60	71 Å²	71	32%	0.321	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-2.8	172.8	-72	-10.1	0	0	0	112.4	K207 V209 F213 K243	K207-D211 WeakPolarHBondContact O-CB 3.31Å; K207-D211 PolarHBondContact O-N 2.75Å; V209-D211 VanDerWaalsContact C-N 3.32Å; V209-D211 PolarHBondContact O-N 3.46Å; D211-F213 HydrophobicContact CB-CD1 4.36Å; D211-F213 HydrophobicContact CB-CD2 3.61Å; D211-F213 HydrophobicContact CB-CE2 3.84Å; D211-F213 HydrophobicContact CB-CG 3.91Å; D211-F213 HydrophobicContact CB-CZ 4.33Å; D211-F213 WeakPolarHBondContact O-CD1 3.5Å; D211-F213 WeakPolarHBondContact O-CE1 3.35Å; D211-F213 PolarHBondContact O-N 3.48Å; D211-K243 IonicContact OD2-NZ 3.83Å
212	H	84.4	Confident	91.1	Very high	123 Å²	123	68.7 Å²	68.7	57%	0.569	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	28.1	-173.1	-57.9	-88	0	0	0	114.5	L208 V209 N210	L208-H212 PolarHBondContact O-N 2.74Å; V209-H212 WeakPolarHBondContact O-CA 3.4Å; V209-H212 PolarHBondContact O-N 2.89Å; N210-H212 PolarHBondContact O-CD2 2.89Å; N210-H212 PolarHBondContact O-N 2.86Å
213	F	90.5	Very high	91.4	Very high	17 Å²	17	69.5 Å²	69.5	8%	0.075	33%	0.331	C	S	.	.			trans	-96.9	-24.7	-179.5	-64.8	-16	0	0	0	113.7	L208 D211 I237 I239 K243 L246 W248	L208-F213 HydrophobicContact CB-CB 4.48Å; L208-F213 HydrophobicContact CD2-CB 4.09Å; L208-F213 HydrophobicContact CD2-CD2 4.09Å; L208-F213 WeakPolarHBondContact O-CA 3.15Å; L208-F213 PolarHBondContact O-N 2.69Å; D211-F213 HydrophobicContact CB-CD1 4.36Å; D211-F213 HydrophobicContact CB-CD2 3.61Å; D211-F213 HydrophobicContact CB-CE2 3.84Å; D211-F213 HydrophobicContact CB-CG 3.91Å; D211-F213 HydrophobicContact CB-CZ 4.33Å; D211-F213 WeakPolarHBondContact O-CD1 3.5Å; D211-F213 WeakPolarHBondContact O-CE1 3.35Å; D211-F213 PolarHBondContact O-N 3.48Å; F213-I237 HydrophobicContact CB-CD1 4.44Å; F213-I239 HydrophobicContact CB-CD1 4.08Å; F213-I239 HydrophobicContact CD2-CD1 3.74Å; F213-I239 HydrophobicContact CG-CD1 4.22Å; F213-K243 HydrophobicContact CE2-CB 4.08Å; F213-K243 HydrophobicContact CE2-CD 3.98Å; F213-K243 HydrophobicContact CE2-CG 4.2Å; F213-K243 HydrophobicContact CZ-CB 3.89Å; F213-K243 HydrophobicContact CZ-CD 4.41Å; F213-K243 HydrophobicContact CZ-CG 4.5Å; F213-L246 HydrophobicContact CB-CD2 3.59Å; F213-L246 HydrophobicContact CD1-CD1 4.34Å; F213-L246 HydrophobicContact CD1-CD2 3.14Å; F213-L246 HydrophobicContact CD1-CG 4.35Å; F213-L246 HydrophobicContact CD2-CD2 4.1Å; F213-L246 HydrophobicContact CE1-CD1 4.21Å; F213-L246 HydrophobicContact CE1-CD2 3.73Å; F213-L246 HydrophobicContact CG-CD2 3.35Å; F213-L246 HydrophobicContact CZ-CD2 4.41Å; F213-W248 PolarHBondContact O-NE1 2.65Å
214	L	89.9	Confident	91.5	Very high	16 Å²	16	64 Å²	64	8%	0.084	31%	0.307	C	S	.	.			trans	-107.1	134.5	-176.9	-174.9	62.1	0	0	0	112.1	L197 M200 R205 L208 V209 I237	L197-L214 HydrophobicContact CD1-CD1 3.71Å; L197-L214 HydrophobicContact CG-CD1 4.14Å; M200-L214 HydrophobicContact CE-CD1 4.4Å; M200-L214 HydrophobicContact CE-CD2 4.5Å; M200-L214 HydrophobicContact SD-CD2 3.66Å; R205-L214 HydrophobicContact CB-CD2 4.22Å; R205-L214 HydrophobicContact CG-CD2 3.6Å; L208-L214 HydrophobicContact CB-CB 3.61Å; L208-L214 HydrophobicContact CB-CD2 4.23Å; L208-L214 PolarHBondContact O-N 2.66Å; V209-L214 HydrophobicContact CG2-CB 4.07Å; V209-L214 HydrophobicContact CG2-CD2 4.12Å; V209-L214 HydrophobicContact CG2-CG 4.29Å; L214-I237 HydrophobicContact CB-CD1 4.36Å; L214-I237 HydrophobicContact CD1-CD1 4.15Å; L214-I237 HydrophobicContact CD1-CG1 4.49Å; L214-I237 HydrophobicContact CD1-CG2 3.78Å
215	F	92.4	Very high	91.7	Very high	11 Å²	11	61 Å²	61	5%	0.048	29%	0.291	C	S	.	.			trans	-84.8	157	170.8	59.4	-90.6	0	0	0	111.7	L197 W231 R235 I237 W248 E251	L197-F215 HydrophobicContact CD1-CE1 4.29Å; L197-F215 HydrophobicContact CD1-CZ 3.96Å; L197-F215 HydrophobicContact CD2-CE2 3.77Å; L197-F215 HydrophobicContact CD2-CZ 3.94Å; F215-W231 AromaticContact CD2-CH2 3.69Å; F215-W231 HydrophobicContact CD2-CH2 3.69Å; F215-W231 HydrophobicContact CD2-CZ3 4.14Å; F215-W231 AromaticContact CE2-CH2 3.5Å; F215-W231 HydrophobicContact CE2-CH2 3.5Å; F215-W231 VanDerWaalsContact CE2-CH2 3.5Å; F215-W231 AromaticContact CE2-CZ3 3.72Å; F215-W231 HydrophobicContact CE2-CZ3 3.72Å; F215-R235 HydrophobicContact CZ-CB 4.27Å; F215-I237 HydrophobicContact CD1-CG2 3.86Å; F215-I237 HydrophobicContact CE1-CG2 3.59Å; F215-W248 HydrophobicContact CB-CD2 4.2Å; F215-W248 HydrophobicContact CB-CE3 3.93Å; F215-W248 HydrophobicContact CB-CH2 4.04Å; F215-W248 HydrophobicContact CB-CZ2 4.28Å; F215-W248 HydrophobicContact CB-CZ3 3.85Å; F215-W248 HydrophobicContact CD1-CB 3.85Å; F215-W248 AromaticContact CD1-CD1 3.91Å; F215-W248 AromaticContact CD1-CD2 3.59Å; F215-W248 HydrophobicContact CD1-CD2 3.59Å; F215-W248 AromaticContact CD1-CE3 3.99Å; F215-W248 HydrophobicContact CD1-CE3 3.99Å; F215-W248 AromaticContact CD1-CG 3.53Å; F215-W248 HydrophobicContact CD1-CG 3.53Å; F215-W248 HydrophobicContact CE1-CB 3.76Å; F215-W248 HydrophobicContact CE1-CD2 4.42Å; F215-W248 AromaticContact CE1-CG 3.9Å; F215-W248 HydrophobicContact CE1-CG 3.9Å; F215-W248 HydrophobicContact CG-CD2 4.3Å; F215-W248 HydrophobicContact CG-CE3 4.27Å; F215-E251 HydrophobicContact CB-CG 3.64Å; F215-E251 HydrophobicContact CD1-CB 3.95Å; F215-E251 HydrophobicContact CD1-CG 3.9Å; F215-E251 HydrophobicContact CD2-CB 3.7Å; F215-E251 HydrophobicContact CD2-CG 3.28Å; F215-E251 HydrophobicContact CE1-CB 3.91Å; F215-E251 HydrophobicContact CE1-CG 4.35Å; F215-E251 HydrophobicContact CE2-CB 3.66Å; F215-E251 HydrophobicContact CE2-CG 3.8Å; F215-E251 HydrophobicContact CG-CB 3.85Å; F215-E251 HydrophobicContact CG-CG 3.34Å; F215-E251 HydrophobicContact CZ-CB 3.77Å; F215-E251 HydrophobicContact CZ-CG 4.3Å
216	R	88.6	Confident	92	Very high	127 Å²	127	56 Å²	56	48%	0.479	27%	0.273	S	S	.	.			trans	-120.8	173.4	-179.1	-60.3	-174.2	-56.9	-158.8	-0.9	111.2	V209 D218 Y228	V209-R216 HydrophobicContact CG2-CG 4.11Å; R216-D218 HydrophobicContact CB-CB 4.49Å; R216-D218 WeakPolarHBondContact CB-OD1 3.26Å; R216-D218 IonicContact CZ-OD2 3.57Å; R216-D218 IonicContact NE-OD2 3.13Å; R216-D218 PolarHBondContact NE-OD2 3.5Å; R216-D218 IonicContact NH2-OD2 2.79Å; R216-D218 PolarHBondContact NH2-OD2 3.03Å; R216-Y228 PolarHBondContact O-OH 3.1Å
217	N	91.4	Very high	92.3	Very high	70 Å²	70	52.3 Å²	52.3	37%	0.374	26%	0.255	S	S	.	.	S	Bend	trans	-100.2	35	177.7	63.8	-31	0	0	0	113.7	Y228 W231	N217-Y228 WeakPolarHBondContact CA-OH 3.46Å; N217-Y228 HydrophobicContact CB-CD1 3.94Å; N217-Y228 HydrophobicContact CB-CD2 3.93Å; N217-Y228 HydrophobicContact CB-CE1 3.99Å; N217-Y228 HydrophobicContact CB-CE2 3.98Å; N217-Y228 HydrophobicContact CB-CG 3.92Å; N217-Y228 WeakPolarHBondContact O-CE2 3.31Å; N217-W231 HydrophobicContact CB-CD2 3.96Å; N217-W231 HydrophobicContact CB-CE3 4.22Å; N217-W231 HydrophobicContact CB-CH2 4.15Å; N217-W231 HydrophobicContact CB-CZ2 3.89Å; N217-W231 HydrophobicContact CB-CZ3 4.3Å
218	D	91	Very high	92.5	Very high	87 Å²	87	48.9 Å²	48.9	47%	0.465	24%	0.24	S	C	.	.			trans	-101.5	-3	-170.1	58.7	-18	0	0	0	114.8	R216 N220	R216-D218 HydrophobicContact CB-CB 4.49Å; R216-D218 WeakPolarHBondContact CB-OD1 3.26Å; R216-D218 IonicContact CZ-OD2 3.57Å; R216-D218 IonicContact NE-OD2 3.13Å; R216-D218 PolarHBondContact NE-OD2 3.5Å; R216-D218 IonicContact NH2-OD2 2.79Å; R216-D218 PolarHBondContact NH2-OD2 3.03Å; D218-N220 PolarHBondContact O-N 3.17Å
219	D	93.1	Very high	92.7	Very high	66 Å²	66	50.3 Å²	50.3	35%	0.353	25%	0.247	S	C	.	.			trans	-87.2	108.5	174.5	-177.5	-1.7	0	0	0	111.3	V221 L222 R223 Y228	D219-V221 VanDerWaalsContact C-N 3.27Å; D219-V221 PolarHBondContact O-N 3.27Å; D219-V221 WeakPolarHBondContact OD1-CA 3.42Å; D219-V221 VanDerWaalsContact OD1-CB 3.29Å; D219-V221 WeakPolarHBondContact OD1-CB 3.29Å; D219-V221 PolarHBondContact OD1-N 2.93Å; D219-L222 HydrophobicContact CB-CB 3.94Å; D219-L222 PolarHBondContact O-N 3.29Å; D219-L222 PolarHBondContact OD1-N 2.77Å; D219-R223 PolarHBondContact O-N 2.63Å; D219-Y228 PolarHBondContact N-OH 3.34Å; D219-Y228 WeakPolarHBondContact O-CE2 3.35Å
220	N	96.2	Very high	93.2	Very high	77 Å²	77	51.1 Å²	51.1	41%	0.412	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-34.3	176.6	-68.7	-19.4	0	0	0	112.6	D218 L222 R223 D224	D218-N220 PolarHBondContact O-N 3.17Å; N220-L222 VanDerWaalsContact C-N 3.33Å; N220-L222 PolarHBondContact O-N 3.27Å; N220-R223 PolarHBondContact O-N 2.82Å; N220-R223 PolarHBondContact OD1-NH1 3.35Å; N220-R223 PolarHBondContact OD1-NH2 2.8Å; N220-R223 VanDerWaalsContact OD1-NH2 3.15Å; N220-D224 WeakPolarHBondContact O-CB 3.49Å; N220-D224 PolarHBondContact O-N 3.49Å
221	V	97.5	Very high	93.8	Very high	28 Å²	28	49.3 Å²	49.3	17%	0.17	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-42.2	178.8	-176.8	0	0	0	0	109.9	T82 N86 A89 R93 D219 A225	T82-V221 WeakPolarHBondContact CB-O 3.42Å; T82-V221 HydrophobicContact CG2-CG1 4.28Å; T82-V221 WeakPolarHBondContact OG1-CA 3.47Å; T82-V221 WeakPolarHBondContact OG1-CG1 3.38Å; T82-V221 PolarHBondContact OG1-O 3.23Å; N86-V221 HydrophobicContact CB-CG2 3.97Å; A89-V221 HydrophobicContact CB-CG1 3.89Å; A89-V221 HydrophobicContact CB-CG2 4.13Å; R93-V221 VanDerWaalsContact NH2-CG1 3.32Å; D219-V221 VanDerWaalsContact C-N 3.27Å; D219-V221 PolarHBondContact O-N 3.27Å; D219-V221 WeakPolarHBondContact OD1-CA 3.42Å; D219-V221 VanDerWaalsContact OD1-CB 3.29Å; D219-V221 WeakPolarHBondContact OD1-CB 3.29Å; D219-V221 PolarHBondContact OD1-N 2.93Å; V221-A225 WeakPolarHBondContact O-CB 3.48Å; V221-A225 PolarHBondContact O-N 2.87Å
222	L	97.3	Very high	94.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-70.2	-39.8	176.2	-175.3	53.4	0	0	0	111.8	D219 N220 A225 G226 G227 Y228 E252 F297	D219-L222 HydrophobicContact CB-CB 3.94Å; D219-L222 PolarHBondContact O-N 3.29Å; D219-L222 PolarHBondContact OD1-N 2.77Å; N220-L222 VanDerWaalsContact C-N 3.33Å; N220-L222 PolarHBondContact O-N 3.27Å; L222-A225 PolarHBondContact O-N 2.73Å; L222-G226 PolarHBondContact O-N 2.85Å; L222-G227 WeakPolarHBondContact O-CA 3.25Å; L222-G227 PolarHBondContact O-N 2.86Å; L222-Y228 HydrophobicContact CB-CE2 4.35Å; L222-Y228 HydrophobicContact CD2-CE1 3.65Å; L222-Y228 HydrophobicContact CG-CE1 3.96Å; L222-Y228 HydrophobicContact CG-CE2 4.45Å; L222-E252 HydrophobicContact CD1-CB 4.3Å; L222-E252 HydrophobicContact CD1-CG 4.07Å; L222-E252 HydrophobicContact CD2-CB 4.22Å; L222-F297 HydrophobicContact CD1-CD1 4.27Å; L222-F297 HydrophobicContact CD1-CE1 3.61Å; L222-F297 HydrophobicContact CD1-CZ 4.39Å
223	R	97.4	Very high	95	Very high	117 Å²	117	44.1 Å²	44.1	44%	0.442	22%	0.216	S	C	.	.	H	α-helix	trans	-56.5	-54.4	175.1	-172.2	-174	-58.4	135.6	12	111.5	D219 N220 A225 G226 Y228	D219-R223 PolarHBondContact O-N 2.63Å; N220-R223 PolarHBondContact O-N 2.82Å; N220-R223 PolarHBondContact OD1-NH1 3.35Å; N220-R223 PolarHBondContact OD1-NH2 2.8Å; N220-R223 VanDerWaalsContact OD1-NH2 3.15Å; R223-A225 PolarHBondContact O-N 3.33Å; R223-G226 PolarHBondContact O-N 3.02Å; R223-Y228 HydrophobicContact CB-CD2 3.63Å; R223-Y228 HydrophobicContact CB-CE2 3.94Å; R223-Y228 HydrophobicContact CG-CD2 4.01Å
224	D	97.4	Very high	95.3	Very high	42 Å²	42	43.3 Å²	43.3	23%	0.225	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-8.3	-175.9	-62.6	-23.8	0	0	0	112.8	N81 Y85 N86 N220	N81-D224 PolarHBondContact ND2-O 3.04Å; Y85-D224 WeakPolarHBondContact CB-OD2 3.36Å; N86-D224 PolarHBondContact ND2-OD2 2.94Å; N220-D224 WeakPolarHBondContact O-CB 3.49Å; N220-D224 PolarHBondContact O-N 3.49Å
225	A	97.9	Very high	95.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.008	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	5.4	168.8	0	0	0	0	0	113.2	T82 R93 P165 V221 L222 R223 F297	T82-A225 HydrophobicContact CG2-CB 4.21Å; R93-A225 HydrophobicContact CB-CB 4Å; R93-A225 HydrophobicContact CG-CB 3.59Å; P165-A225 WeakPolarHBondContact CD-O 3.2Å; P165-A225 VanDerWaalsContact CG-O 3.23Å; P165-A225 WeakPolarHBondContact CG-O 3.38Å; V221-A225 WeakPolarHBondContact O-CB 3.48Å; V221-A225 PolarHBondContact O-N 2.87Å; L222-A225 PolarHBondContact O-N 2.73Å; R223-A225 PolarHBondContact O-N 3.33Å; A225-F297 HydrophobicContact CB-CE1 4.06Å; A225-F297 HydrophobicContact CB-CZ 3.62Å
226	G	97.1	Very high	96	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.021	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	10.7	178	0	0	0	0	0	115	M31 G164 L222 R223 Y228 I229	M31-G226 WeakPolarHBondContact SD-CA 3.38Å; G164-G226 WeakPolarHBondContact CA-O 3.15Å; L222-G226 PolarHBondContact O-N 2.85Å; R223-G226 PolarHBondContact O-N 3.02Å; G226-Y228 VanDerWaalsContact C-N 3.25Å; G226-Y228 PolarHBondContact O-N 3.23Å; G226-I229 PolarHBondContact O-N 2.91Å
227	G	96.5	Very high	96.5	Very high	7 Å²	7	36.1 Å²	36.1	7%	0.072	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.5	-175.7	0	0	0	0	0	114.8	L222 R235	L222-G227 WeakPolarHBondContact O-CA 3.25Å; L222-G227 PolarHBondContact O-N 2.86Å; G227-R235 PolarHBondContact O-NH2 2.93Å
228	Y	97.2	Very high	96.8	Very high	25 Å²	25	32.9 Å²	32.9	10%	0.098	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	16.5	-176.6	-53.4	-40.7	0	0	0	114.6	R216 N217 D219 L222 R223 G226 D230 W231	R216-Y228 PolarHBondContact O-OH 3.1Å; N217-Y228 WeakPolarHBondContact CA-OH 3.46Å; N217-Y228 HydrophobicContact CB-CD1 3.94Å; N217-Y228 HydrophobicContact CB-CD2 3.93Å; N217-Y228 HydrophobicContact CB-CE1 3.99Å; N217-Y228 HydrophobicContact CB-CE2 3.98Å; N217-Y228 HydrophobicContact CB-CG 3.92Å; N217-Y228 WeakPolarHBondContact O-CE2 3.31Å; D219-Y228 PolarHBondContact N-OH 3.34Å; D219-Y228 WeakPolarHBondContact O-CE2 3.35Å; L222-Y228 HydrophobicContact CB-CE2 4.35Å; L222-Y228 HydrophobicContact CD2-CE1 3.65Å; L222-Y228 HydrophobicContact CG-CE1 3.96Å; L222-Y228 HydrophobicContact CG-CE2 4.45Å; R223-Y228 HydrophobicContact CB-CD2 3.63Å; R223-Y228 HydrophobicContact CB-CE2 3.94Å; R223-Y228 HydrophobicContact CG-CD2 4.01Å; G226-Y228 VanDerWaalsContact C-N 3.25Å; G226-Y228 PolarHBondContact O-N 3.23Å; Y228-D230 PolarHBondContact O-N 2.86Å; Y228-W231 AromaticContact CD1-CE3 3.76Å; Y228-W231 HydrophobicContact CD1-CE3 3.76Å; Y228-W231 AromaticContact CD1-CZ3 3.85Å; Y228-W231 HydrophobicContact CD1-CZ3 3.85Å; Y228-W231 HydrophobicContact CE1-CE3 4.47Å; Y228-W231 HydrophobicContact CE1-CZ3 4.13Å; Y228-W231 HydrophobicContact CG-CE3 4.46Å; Y228-W231 VanDerWaalsContact O-CB 3.29Å; Y228-W231 WeakPolarHBondContact O-CB 3.43Å; Y228-W231 PolarHBondContact O-N 2.96Å
229	I	96	Very high	97.1	Very high	39 Å²	39	29.3 Å²	29.3	20%	0.2	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	136.3	172.4	-63.9	171.3	0	0	0	109.5	M31 G226 W231 R235	M31-I229 HydrophobicContact CB-CD1 3.62Å; M31-I229 HydrophobicContact CG-CD1 3.96Å; M31-I229 HydrophobicContact SD-CD1 4.2Å; G226-I229 PolarHBondContact O-N 2.91Å; I229-W231 PolarHBondContact O-N 3.48Å; I229-R235 PolarHBondContact O-NH1 3.08Å; I229-R235 PolarHBondContact O-NH2 2.69Å
230	D	96.2	Very high	97.4	Very high	49 Å²	49	26.3 Å²	26.3	26%	0.262	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	22.7	-174.8	-50.3	-53.8	0	0	0	115.5	K169 R172 Y228 T233	K169-D230 HydrophobicContact CB-CB 4.48Å; K169-D230 HydrophobicContact CG-CB 4.28Å; R172-D230 IonicContact CZ-OD2 2.71Å; R172-D230 IonicContact NH1-OD2 2.57Å; R172-D230 PolarHBondContact NH1-OD2 2.84Å; R172-D230 IonicContact NH2-OD2 3.27Å; Y228-D230 PolarHBondContact O-N 2.86Å; D230-T233 WeakPolarHBondContact O-CA 3.47Å; D230-T233 WeakPolarHBondContact O-CB 3.37Å; D230-T233 PolarHBondContact O-N 3.33Å; D230-T233 PolarHBondContact O-OG1 3.38Å
231	W	96.7	Very high	97.4	Very high	70 Å²	70	28.8 Å²	28.8	27%	0.265	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	136.6	179.1	-175.2	-89.3	0	0	0	112.4	L197 F215 N217 Y228 I229 R235	L197-W231 HydrophobicContact CD2-CH2 3.45Å; L197-W231 VanDerWaalsContact CD2-CH2 3.45Å; L197-W231 HydrophobicContact CD2-CZ2 3.48Å; L197-W231 VanDerWaalsContact CD2-CZ2 3.48Å; L197-W231 HydrophobicContact CD2-CZ3 4.23Å; F215-W231 AromaticContact CD2-CH2 3.69Å; F215-W231 HydrophobicContact CD2-CH2 3.69Å; F215-W231 HydrophobicContact CD2-CZ3 4.14Å; F215-W231 AromaticContact CE2-CH2 3.5Å; F215-W231 HydrophobicContact CE2-CH2 3.5Å; F215-W231 VanDerWaalsContact CE2-CH2 3.5Å; F215-W231 AromaticContact CE2-CZ3 3.72Å; F215-W231 HydrophobicContact CE2-CZ3 3.72Å; N217-W231 HydrophobicContact CB-CD2 3.96Å; N217-W231 HydrophobicContact CB-CE3 4.22Å; N217-W231 HydrophobicContact CB-CH2 4.15Å; N217-W231 HydrophobicContact CB-CZ2 3.89Å; N217-W231 HydrophobicContact CB-CZ3 4.3Å; Y228-W231 AromaticContact CD1-CE3 3.76Å; Y228-W231 HydrophobicContact CD1-CE3 3.76Å; Y228-W231 AromaticContact CD1-CZ3 3.85Å; Y228-W231 HydrophobicContact CD1-CZ3 3.85Å; Y228-W231 HydrophobicContact CE1-CE3 4.47Å; Y228-W231 HydrophobicContact CE1-CZ3 4.13Å; Y228-W231 HydrophobicContact CG-CE3 4.46Å; Y228-W231 VanDerWaalsContact O-CB 3.29Å; Y228-W231 WeakPolarHBondContact O-CB 3.43Å; Y228-W231 PolarHBondContact O-N 2.96Å; I229-W231 PolarHBondContact O-N 3.48Å; W231-R235 VanDerWaalsContact CZ3-CD 3.45Å
232	P	96.5	Very high	97.4	Very high	45 Å²	45	32.4 Å²	32.4	29%	0.292	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	cis	-95.6	16.5	1.1	37.6	-35.2	0	0	0	114.1	L197 T198 R235	L197-P232 HydrophobicContact CB-CB 3.81Å; L197-P232 HydrophobicContact CD2-CB 4.45Å; T198-P232 PolarHBondContact OG1-O 3.17Å; P232-R235 WeakPolarHBondContact O-CB 3.43Å
233	T	97.9	Very high	97.3	Very high	29 Å²	29	37.3 Å²	37.3	18%	0.178	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	144.4	-172.4	-46	0	0	0	0	111.8	K169 I173 T198 D230 R235	K169-T233 HydrophobicContact CG-CG2 4.21Å; I173-T233 HydrophobicContact CD1-CG2 3.55Å; I173-T233 HydrophobicContact CG1-CG2 3.62Å; T198-T233 WeakPolarHBondContact OG1-CA 3.31Å; D230-T233 WeakPolarHBondContact O-CA 3.47Å; D230-T233 WeakPolarHBondContact O-CB 3.37Å; D230-T233 PolarHBondContact O-N 3.33Å; D230-T233 PolarHBondContact O-OG1 3.38Å; T233-R235 VanDerWaalsContact C-N 3.33Å; T233-R235 PolarHBondContact O-NH1 2.92Å
234	G	98.1	Very high	97.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	15.6	175.8	0	0	0	0	0	113.6	E176 N250	E176-G234 VanDerWaalsContact CD-C 3.5Å; E176-G234 WeakPolarHBondContact OE2-CA 3.43Å; E176-G234 PolarHBondContact OE2-N 3.15Å; G234-N250 VanDerWaalsContact O-CB 3.25Å; G234-N250 WeakPolarHBondContact O-CB 3.45Å; G234-N250 PolarHBondContact O-ND2 3.29Å
235	R	98.6	Very high	97.4	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.011	15%	0.148	C	C	.	.			trans	-138.2	143.7	-167	-63.6	173.9	175.9	88.6	-8.9	110.6	L197 F215 G227 I229 W231 P232 T233 I249 N250	L197-R235 HydrophobicContact CD2-CB 4.26Å; L197-R235 PolarHBondContact N-O 2.79Å; F215-R235 HydrophobicContact CZ-CB 4.27Å; G227-R235 PolarHBondContact O-NH2 2.93Å; I229-R235 PolarHBondContact O-NH1 3.08Å; I229-R235 PolarHBondContact O-NH2 2.69Å; W231-R235 VanDerWaalsContact CZ3-CD 3.45Å; P232-R235 WeakPolarHBondContact O-CB 3.43Å; T233-R235 VanDerWaalsContact C-N 3.33Å; T233-R235 PolarHBondContact O-NH1 2.92Å; R235-I249 WeakPolarHBondContact CA-O 3.39Å; R235-N250 HydrophobicContact CG-CB 3.9Å; R235-N250 WeakPolarHBondContact CG-O 3.26Å; R235-N250 PolarHBondContact NE-O 3.36Å; R235-N250 VanDerWaalsContact NE-O 3.12Å
236	G	98.1	Very high	97.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	174.8	-179.7	0	0	0	0	0	112.8	Y194 Y195 L197 I249	Y194-G236 VanDerWaalsContact OH-CA 3.25Å; Y194-G236 WeakPolarHBondContact OH-CA 3.29Å; Y194-G236 PolarHBondContact OH-N 3.48Å; Y195-G236 VanDerWaalsContact O-CA 3.25Å; Y195-G236 WeakPolarHBondContact O-CA 3.24Å; L197-G236 VanDerWaalsContact CD1-CA 3.41Å; G236-I249 PolarHBondContact N-O 3.29Å; G236-I249 PolarHBondContact O-N 3.15Å
237	I	98	Very high	97.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.4	169.9	66.6	172	0	0	0	110.3	Y194 Y195 L197 L208 F213 L214 F215 I239 V247 W248	Y194-I237 WeakPolarHBondContact CD2-O 3.17Å; Y195-I237 HydrophobicContact CD2-CG1 4.33Å; Y195-I237 PolarHBondContact N-O 2.85Å; Y195-I237 PolarHBondContact O-N 2.69Å; L197-I237 HydrophobicContact CD1-CG2 4.49Å; L208-I237 HydrophobicContact CB-CD1 4.38Å; L208-I237 HydrophobicContact CD1-CD1 3.71Å; L208-I237 HydrophobicContact CD2-CD1 3.97Å; L208-I237 HydrophobicContact CG-CD1 4.24Å; F213-I237 HydrophobicContact CB-CD1 4.44Å; L214-I237 HydrophobicContact CB-CD1 4.36Å; L214-I237 HydrophobicContact CD1-CD1 4.15Å; L214-I237 HydrophobicContact CD1-CG1 4.49Å; L214-I237 HydrophobicContact CD1-CG2 3.78Å; F215-I237 HydrophobicContact CD1-CG2 3.86Å; F215-I237 HydrophobicContact CE1-CG2 3.59Å; I237-I239 HydrophobicContact CD1-CD1 3.8Å; I237-I239 HydrophobicContact CD1-CG1 4.24Å; I237-V247 CarbonylContact C-O 3.58Å; I237-V247 VanDerWaalsContact CA-O 3.24Å; I237-V247 WeakPolarHBondContact CA-O 3.29Å; I237-W248 HydrophobicContact CG2-CG 4.34Å
238	F	98.5	Very high	97.5	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.4	168.2	-179.9	-88.5	0	0	0	109.1	L183 Y190 T193 Y194 F245 L246 V247	L183-F238 HydrophobicContact CB-CD2 4.03Å; L183-F238 HydrophobicContact CB-CE2 4.2Å; L183-F238 HydrophobicContact CB-CG 4.32Å; L183-F238 HydrophobicContact CD1-CB 3.87Å; L183-F238 HydrophobicContact CD1-CD2 4.47Å; L183-F238 HydrophobicContact CD1-CG 4.19Å; Y190-F238 WeakPolarHBondContact O-CE1 3.3Å; Y190-F238 VanDerWaalsContact O-CZ 3.24Å; Y190-F238 WeakPolarHBondContact O-CZ 3.44Å; T193-F238 WeakPolarHBondContact O-CA 3.1Å; Y194-F238 HydrophobicContact CD2-CB 4.21Å; F238-F245 HydrophobicContact CD1-CD1 4.38Å; F238-F245 HydrophobicContact CD1-CE1 4.31Å; F238-F245 HydrophobicContact CE1-CD1 4.32Å; F238-F245 HydrophobicContact CE1-CE1 4.34Å; F238-L246 CarbonylContact O-C 3.59Å; F238-L246 VanDerWaalsContact O-CA 3.25Å; F238-L246 WeakPolarHBondContact O-CA 3.36Å; F238-V247 HydrophobicContact CB-CB 4.1Å; F238-V247 PolarHBondContact N-O 2.97Å; F238-V247 PolarHBondContact O-N 2.95Å
239	I	97.7	Very high	97.6	Very high	12 Å²	12	31 Å²	31	6%	0.062	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.6	178.9	-48.5	176.5	0	0	0	108.4	G192 T193 Y195 L208 F213 I237 K243 L246	G192-I239 CarbonylContact C-O 3.54Å; G192-I239 WeakPolarHBondContact CA-O 3.27Å; T193-I239 PolarHBondContact N-O 3.43Å; T193-I239 PolarHBondContact O-N 3.1Å; Y195-I239 HydrophobicContact CD2-CD1 4.4Å; Y195-I239 HydrophobicContact CD2-CG1 4.49Å; Y195-I239 HydrophobicContact CE2-CD1 4.24Å; Y195-I239 HydrophobicContact CE2-CG1 4.42Å; L208-I239 HydrophobicContact CD2-CD1 3.52Å; F213-I239 HydrophobicContact CB-CD1 4.08Å; F213-I239 HydrophobicContact CD2-CD1 3.74Å; F213-I239 HydrophobicContact CG-CD1 4.22Å; I237-I239 HydrophobicContact CD1-CD1 3.8Å; I237-I239 HydrophobicContact CD1-CG1 4.24Å; I239-K243 HydrophobicContact CG2-CB 4.37Å; I239-K243 HydrophobicContact CG2-CG 4.11Å; I239-L246 HydrophobicContact CD1-CD2 4.44Å; I239-L246 HydrophobicContact CG1-CD2 4.11Å; I239-L246 HydrophobicContact CG2-CD2 4.4Å; I239-L246 HydrophobicContact CG2-CG 4.41Å
240	N	98.1	Very high	97.7	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	163.7	172.9	78.1	-28.7	0	0	0	112.2	E189 E191 Q242 K243 N244 F245	E189-N240 PolarHBondContact O-ND2 2.99Å; E191-N240 CarbonylContact O-C 3.53Å; E191-N240 WeakPolarHBondContact O-CA 3.3Å; N240-Q242 PolarHBondContact ND2-OE1 3.15Å; N240-Q242 VanDerWaalsContact ND2-OE1 3.08Å; N240-Q242 PolarHBondContact O-N 3.4Å; N240-Q242 VanDerWaalsContact O-N 3.16Å; N240-K243 PolarHBondContact O-N 3.02Å; N240-K243 WeakPolarHBondContact OD1-CA 3.2Å; N240-K243 PolarHBondContact OD1-N 2.99Å; N240-N244 PolarHBondContact ND2-OD1 3.07Å; N240-N244 PolarHBondContact OD1-N 2.94Å; N240-N244 PolarHBondContact OD1-OD1 3.08Å; N240-F245 HydrophobicContact CB-CB 4.21Å; N240-F245 PolarHBondContact N-O 3.17Å; N240-F245 VanDerWaalsContact N-O 3.1Å; N240-F245 PolarHBondContact OD1-N 3.4Å; N240-F245 PolarHBondContact OD1-O 2.96Å
241	K	97.4	Very high	97.8	Very high	128 Å²	128	28.3 Å²	28.3	56%	0.557	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-35.6	-179.2	-73.6	175.3	-179.5	174.6	0	113.2	E191 K243	E191-K241 VanDerWaalsContact CD-CE 3.43Å; E191-K241 WeakPolarHBondContact O-CG 3.32Å; E191-K241 PolarHBondContact O-N 2.83Å; E191-K241 VanDerWaalsContact OE1-CE 3.28Å; E191-K241 WeakPolarHBondContact OE1-CE 3.34Å; E191-K241 IonicContact OE1-NZ 2.67Å; E191-K241 PolarHBondContact OE1-NZ 3.38Å; E191-K241 IonicContact OE2-NZ 2.72Å; E191-K241 PolarHBondContact OE2-NZ 3.28Å; K241-K243 VanDerWaalsContact C-N 3.29Å; K241-K243 PolarHBondContact O-N 2.92Å
242	Q	96.8	Very high	97.8	Very high	105 Å²	105	26.6 Å²	26.6	49%	0.491	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-5.8	-178.4	-62.5	75.7	10.3	0	0	113.3	E189 N240 N244	E189-Q242 PolarHBondContact O-OE1 2.97Å; N240-Q242 PolarHBondContact ND2-OE1 3.15Å; N240-Q242 VanDerWaalsContact ND2-OE1 3.08Å; N240-Q242 PolarHBondContact O-N 3.4Å; N240-Q242 VanDerWaalsContact O-N 3.16Å; Q242-N244 PolarHBondContact O-N 3.02Å
243	K	96.4	Very high	97.8	Very high	103 Å²	103	24.6 Å²	24.6	45%	0.448	11%	0.113	S	C	.	.	S	Bend	trans	54.4	32.9	-178.7	-59.7	-179.1	164.9	-163.7	0	114	D211 F213 I239 N240 K241	D211-K243 IonicContact OD2-NZ 3.83Å; F213-K243 HydrophobicContact CE2-CB 4.08Å; F213-K243 HydrophobicContact CE2-CD 3.98Å; F213-K243 HydrophobicContact CE2-CG 4.2Å; F213-K243 HydrophobicContact CZ-CB 3.89Å; F213-K243 HydrophobicContact CZ-CD 4.41Å; F213-K243 HydrophobicContact CZ-CG 4.5Å; I239-K243 HydrophobicContact CG2-CB 4.37Å; I239-K243 HydrophobicContact CG2-CG 4.11Å; N240-K243 PolarHBondContact O-N 3.02Å; N240-K243 WeakPolarHBondContact OD1-CA 3.2Å; N240-K243 PolarHBondContact OD1-N 2.99Å; K241-K243 VanDerWaalsContact C-N 3.29Å; K241-K243 PolarHBondContact O-N 2.92Å
244	N	97.6	Very high	97.9	Very high	23 Å²	23	23.4 Å²	23.4	12%	0.123	11%	0.106	C	C	.	.	S	Bend	trans	-122.4	1.9	-179	68.8	3.9	0	0	0	112.5	N240 Q242 S259 M260 R272	N240-N244 PolarHBondContact ND2-OD1 3.07Å; N240-N244 PolarHBondContact OD1-N 2.94Å; N240-N244 PolarHBondContact OD1-OD1 3.08Å; Q242-N244 PolarHBondContact O-N 3.02Å; N244-S259 WeakPolarHBondContact O-CA 3.5Å; N244-M260 VanDerWaalsContact CA-O 3.23Å; N244-M260 WeakPolarHBondContact CA-O 3.47Å; N244-M260 VanDerWaalsContact CB-O 3.22Å; N244-M260 WeakPolarHBondContact CB-O 3.3Å; N244-M260 PolarHBondContact O-N 2.88Å; N244-R272 VanDerWaalsContact CG-CZ 3.4Å; N244-R272 PolarHBondContact ND2-NE 3.14Å; N244-R272 PolarHBondContact ND2-NH2 2.87Å; N244-R272 PolarHBondContact O-NH1 3.18Å
245	F	98.4	Very high	97.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	126.3	171.1	178.6	-97.4	0	0	0	109.7	L186 Y190 F238 N240 V247 V257 I258 A276	L186-F245 HydrophobicContact CD1-CE1 4.36Å; Y190-F245 AromaticContact CD1-CD1 3.95Å; Y190-F245 HydrophobicContact CD1-CD1 3.95Å; Y190-F245 HydrophobicContact CD1-CD2 4.15Å; Y190-F245 HydrophobicContact CD1-CE1 4.13Å; Y190-F245 HydrophobicContact CD1-CE2 4.32Å; Y190-F245 AromaticContact CD1-CG 3.95Å; Y190-F245 HydrophobicContact CD1-CG 3.95Å; Y190-F245 HydrophobicContact CD1-CZ 4.31Å; Y190-F245 HydrophobicContact CE1-CD2 4.1Å; Y190-F245 HydrophobicContact CE1-CE2 4.28Å; Y190-F245 HydrophobicContact CE1-CG 4.3Å; F238-F245 HydrophobicContact CD1-CD1 4.38Å; F238-F245 HydrophobicContact CD1-CE1 4.31Å; F238-F245 HydrophobicContact CE1-CD1 4.32Å; F238-F245 HydrophobicContact CE1-CE1 4.34Å; N240-F245 HydrophobicContact CB-CB 4.21Å; N240-F245 PolarHBondContact N-O 3.17Å; N240-F245 VanDerWaalsContact N-O 3.1Å; N240-F245 PolarHBondContact OD1-N 3.4Å; N240-F245 PolarHBondContact OD1-O 2.96Å; F245-V247 HydrophobicContact CD1-CG2 4.46Å; F245-V247 HydrophobicContact CE1-CG2 3.59Å; F245-V247 HydrophobicContact CZ-CG2 3.71Å; F245-V257 HydrophobicContact CD2-CG1 4.35Å; F245-V257 HydrophobicContact CE2-CG1 3.3Å; F245-V257 HydrophobicContact CZ-CG1 3.52Å; F245-I258 CarbonylContact C-O 3.56Å; F245-I258 WeakPolarHBondContact CA-O 3.45Å; F245-A276 HydrophobicContact CD2-CB 4.28Å; F245-A276 HydrophobicContact CE2-CB 3.35Å; F245-A276 HydrophobicContact CZ-CB 3.55Å
246	L	97.4	Very high	97.9	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.8	-176.5	-57.3	96.8	0	0	0	111	F213 F238 I239 I258 M260	F213-L246 HydrophobicContact CB-CD2 3.59Å; F213-L246 HydrophobicContact CD1-CD1 4.34Å; F213-L246 HydrophobicContact CD1-CD2 3.14Å; F213-L246 HydrophobicContact CD1-CG 4.35Å; F213-L246 HydrophobicContact CD2-CD2 4.1Å; F213-L246 HydrophobicContact CE1-CD1 4.21Å; F213-L246 HydrophobicContact CE1-CD2 3.73Å; F213-L246 HydrophobicContact CG-CD2 3.35Å; F213-L246 HydrophobicContact CZ-CD2 4.41Å; F238-L246 CarbonylContact O-C 3.59Å; F238-L246 VanDerWaalsContact O-CA 3.25Å; F238-L246 WeakPolarHBondContact O-CA 3.36Å; I239-L246 HydrophobicContact CD1-CD2 4.44Å; I239-L246 HydrophobicContact CG1-CD2 4.11Å; I239-L246 HydrophobicContact CG2-CD2 4.4Å; I239-L246 HydrophobicContact CG2-CG 4.41Å; L246-I258 HydrophobicContact CB-CB 4.32Å; L246-I258 PolarHBondContact N-O 2.84Å; L246-I258 PolarHBondContact O-N 2.88Å; L246-M260 HydrophobicContact CD1-CG 3.82Å; L246-M260 HydrophobicContact CD1-SD 3.7Å
247	V	98.6	Very high	97.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	128.8	173.3	-174.6	0	0	0	0	109.8	L183 I237 F238 F245 I249 I255 R256 V257	L183-V247 HydrophobicContact CD1-CB 4.11Å; L183-V247 HydrophobicContact CD1-CG1 4.02Å; L183-V247 HydrophobicContact CD1-CG2 4.47Å; L183-V247 HydrophobicContact CD2-CB 4.24Å; L183-V247 HydrophobicContact CD2-CG1 4.36Å; L183-V247 HydrophobicContact CD2-CG2 3.71Å; I237-V247 CarbonylContact C-O 3.58Å; I237-V247 VanDerWaalsContact CA-O 3.24Å; I237-V247 WeakPolarHBondContact CA-O 3.29Å; F238-V247 HydrophobicContact CB-CB 4.1Å; F238-V247 PolarHBondContact N-O 2.97Å; F238-V247 PolarHBondContact O-N 2.95Å; F245-V247 HydrophobicContact CD1-CG2 4.46Å; F245-V247 HydrophobicContact CE1-CG2 3.59Å; F245-V247 HydrophobicContact CZ-CG2 3.71Å; V247-I249 HydrophobicContact CG1-CG1 4.47Å; V247-I255 HydrophobicContact CG1-CG2 3.34Å; V247-R256 WeakPolarHBondContact CA-O 3.38Å; V247-V257 HydrophobicContact CG1-CG2 4.41Å; V247-V257 HydrophobicContact CG2-CG1 4.16Å; V247-V257 HydrophobicContact CG2-CG2 4.38Å
248	W	98.4	Very high	97.9	Very high	37 Å²	37	23.9 Å²	23.9	14%	0.14	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.7	168.3	-59.4	-13.2	0	0	0	109.5	F213 F215 I237 E251 I255 R256 I258	F213-W248 PolarHBondContact O-NE1 2.65Å; F215-W248 HydrophobicContact CB-CD2 4.2Å; F215-W248 HydrophobicContact CB-CE3 3.93Å; F215-W248 HydrophobicContact CB-CH2 4.04Å; F215-W248 HydrophobicContact CB-CZ2 4.28Å; F215-W248 HydrophobicContact CB-CZ3 3.85Å; F215-W248 HydrophobicContact CD1-CB 3.85Å; F215-W248 AromaticContact CD1-CD1 3.91Å; F215-W248 AromaticContact CD1-CD2 3.59Å; F215-W248 HydrophobicContact CD1-CD2 3.59Å; F215-W248 AromaticContact CD1-CE3 3.99Å; F215-W248 HydrophobicContact CD1-CE3 3.99Å; F215-W248 AromaticContact CD1-CG 3.53Å; F215-W248 HydrophobicContact CD1-CG 3.53Å; F215-W248 HydrophobicContact CE1-CB 3.76Å; F215-W248 HydrophobicContact CE1-CD2 4.42Å; F215-W248 AromaticContact CE1-CG 3.9Å; F215-W248 HydrophobicContact CE1-CG 3.9Å; F215-W248 HydrophobicContact CG-CD2 4.3Å; F215-W248 HydrophobicContact CG-CE3 4.27Å; I237-W248 HydrophobicContact CG2-CG 4.34Å; W248-E251 HydrophobicContact CB-CB 4.24Å; W248-E251 HydrophobicContact CE3-CB 4.37Å; W248-E251 HydrophobicContact CE3-CG 3.97Å; W248-E251 HydrophobicContact CZ3-CG 4.45Å; W248-I255 WeakPolarHBondContact O-CA 3.31Å; W248-R256 HydrophobicContact CB-CB 4.26Å; W248-R256 PolarHBondContact N-O 3.41Å; W248-R256 PolarHBondContact O-N 3.04Å; W248-I258 HydrophobicContact CD2-CD1 4.19Å; W248-I258 HydrophobicContact CZ2-CD1 4.31Å
249	I	98.7	Very high	97.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.5	179.1	-55.9	-172.7	0	0	0	109.1	E176 I179 L183 Y194 R235 G236 V247 E251 H254	E176-I249 HydrophobicContact CB-CG2 4.34Å; E176-I249 HydrophobicContact CG-CG2 4.23Å; I179-I249 HydrophobicContact CB-CD1 4.02Å; I179-I249 HydrophobicContact CB-CG2 4.48Å; I179-I249 HydrophobicContact CD1-CG2 3.93Å; I179-I249 HydrophobicContact CG2-CD1 3.55Å; I179-I249 HydrophobicContact CG2-CG1 3.87Å; L183-I249 HydrophobicContact CD1-CD1 3.93Å; L183-I249 HydrophobicContact CD1-CG1 4.47Å; Y194-I249 HydrophobicContact CD2-CD1 4.14Å; Y194-I249 HydrophobicContact CE2-CD1 3.34Å; Y194-I249 HydrophobicContact CE2-CG1 4.09Å; R235-I249 WeakPolarHBondContact CA-O 3.39Å; G236-I249 PolarHBondContact N-O 3.29Å; G236-I249 PolarHBondContact O-N 3.15Å; V247-I249 HydrophobicContact CG1-CG1 4.47Å; I249-E251 VanDerWaalsContact C-N 3.28Å; I249-E251 PolarHBondContact O-N 3.49Å; I249-H254 WeakPolarHBondContact CA-O 3.29Å
250	N	98.5	Very high	97.9	Very high	11 Å²	11	25.4 Å²	25.4	6%	0.059	12%	0.115	C	C	.	.	S	Bend	trans	54.6	36.9	174.6	-66.9	-35.6	0	0	0	115	R172 L175 G234 R235 H254	R172-N250 HydrophobicContact CG-CB 4.37Å; R172-N250 PolarHBondContact O-ND2 3.46Å; L175-N250 WeakPolarHBondContact CD2-OD1 3.08Å; G234-N250 VanDerWaalsContact O-CB 3.25Å; G234-N250 WeakPolarHBondContact O-CB 3.45Å; G234-N250 PolarHBondContact O-ND2 3.29Å; R235-N250 HydrophobicContact CG-CB 3.9Å; R235-N250 WeakPolarHBondContact CG-O 3.26Å; R235-N250 PolarHBondContact NE-O 3.36Å; R235-N250 VanDerWaalsContact NE-O 3.12Å; N250-H254 PolarHBondContact N-O 3.46Å
251	E	97.5	Very high	97.8	Very high	20 Å²	20	27.6 Å²	27.6	9%	0.093	13%	0.125	C	C	.	.	S	Bend	trans	-78.7	-71.1	172	177.8	-92.1	157.1	0	0	110.6	F215 W248 I249 R256	F215-E251 HydrophobicContact CB-CG 3.64Å; F215-E251 HydrophobicContact CD1-CB 3.95Å; F215-E251 HydrophobicContact CD1-CG 3.9Å; F215-E251 HydrophobicContact CD2-CB 3.7Å; F215-E251 HydrophobicContact CD2-CG 3.28Å; F215-E251 HydrophobicContact CE1-CB 3.91Å; F215-E251 HydrophobicContact CE1-CG 4.35Å; F215-E251 HydrophobicContact CE2-CB 3.66Å; F215-E251 HydrophobicContact CE2-CG 3.8Å; F215-E251 HydrophobicContact CG-CB 3.85Å; F215-E251 HydrophobicContact CG-CG 3.34Å; F215-E251 HydrophobicContact CZ-CB 3.77Å; F215-E251 HydrophobicContact CZ-CG 4.3Å; W248-E251 HydrophobicContact CB-CB 4.24Å; W248-E251 HydrophobicContact CE3-CB 4.37Å; W248-E251 HydrophobicContact CE3-CG 3.97Å; W248-E251 HydrophobicContact CZ3-CG 4.45Å; I249-E251 VanDerWaalsContact C-N 3.28Å; I249-E251 PolarHBondContact O-N 3.49Å; E251-R256 IonicContact OE1-NH1 3.24Å; E251-R256 IonicContact OE2-CZ 3.6Å; E251-R256 IonicContact OE2-NE 2.88Å; E251-R256 IonicContact OE2-NH1 2.7Å; E251-R256 PolarHBondContact OE2-NH1 2.89Å; E251-R256 IonicContact OE2-NH2 3.45Å
252	E	96.1	Very high	97.8	Very high	34 Å²	34	29.4 Å²	29.4	16%	0.159	13%	0.133	C	C	.	.	S	Bend	trans	-117.2	-52.9	172.4	-178.3	-173.4	152.1	0	0	110.8	L222 R256 F297 C298	L222-E252 HydrophobicContact CD1-CB 4.3Å; L222-E252 HydrophobicContact CD1-CG 4.07Å; L222-E252 HydrophobicContact CD2-CB 4.22Å; E252-R256 IonicContact OE1-NH2 3.94Å; E252-R256 IonicContact OE2-CZ 3.06Å; E252-R256 IonicContact OE2-NH1 3.34Å; E252-R256 IonicContact OE2-NH2 3.66Å; E252-R256 PolarHBondContact OE2-NH2 3.27Å; E252-F297 HydrophobicContact CG-CB 4.41Å; E252-F297 HydrophobicContact CG-CD1 3.59Å; E252-F297 HydrophobicContact CG-CE1 4.35Å; E252-F297 HydrophobicContact CG-CG 4.44Å; E252-F297 WeakPolarHBondContact O-CB 3.24Å; E252-C298 WeakPolarHBondContact OE1-CB 3.36Å
253	D	98.1	Very high	97.8	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.016	12%	0.118	C	C	.	.	S	Bend	trans	-96.1	168.5	169.6	-62.5	-69.8	0	0	0	109.9	I255 R256 T296 F297	D253-I255 VanDerWaalsContact C-N 3.28Å; D253-I255 PolarHBondContact O-N 2.92Å; D253-R256 IonicContact OD2-NH2 3.32Å; D253-R256 PolarHBondContact OD2-NH2 3.46Å; D253-T296 WeakPolarHBondContact OD1-CA 3.35Å; D253-T296 VanDerWaalsContact OD1-CB 3.27Å; D253-T296 WeakPolarHBondContact OD1-CB 3.49Å; D253-F297 PolarHBondContact OD1-N 3.33Å
254	H	98.7	Very high	97.9	Very high	3 Å²	3	20.3 Å²	20.3	1%	0.014	10%	0.097	C	C	.	.	S	Bend	trans	-61.1	-42.2	177.4	-62.1	-179.1	0	0	0	111.1	V158 G162 F163 L175 I179 I249 N250	V158-H254 HydrophobicContact CG2-CB 4.43Å; V158-H254 PolarHBondContact N-ND1 3.36Å; V158-H254 VanDerWaalsContact N-ND1 3.1Å; G162-H254 PolarHBondContact O-CE1 3.24Å; G162-H254 PolarHBondContact O-NE2 3.26Å; F163-H254 AromaticContact CD1-CD2 3.79Å; F163-H254 AromaticContact CD1-NE2 3.39Å; F163-H254 WeakPolarHBondContact CD1-NE2 3.12Å; F163-H254 AromaticContact CE1-CD2 3.88Å; F163-H254 AromaticContact CE1-NE2 3.59Å; L175-H254 HydrophobicContact CD1-CB 4.46Å; L175-H254 HydrophobicContact CD2-CB 4.05Å; I179-H254 HydrophobicContact CD1-CB 4.27Å; I249-H254 WeakPolarHBondContact CA-O 3.29Å; N250-H254 PolarHBondContact N-O 3.46Å
255	I	98.2	Very high	97.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.7	176.8	-46.2	-179.7	0	0	0	109	G155 R156 V158 I179 V247 W248 D253 V257 L284 F286	G155-I255 CarbonylContact C-O 3.55Å; G155-I255 VanDerWaalsContact CA-O 3.3Å; G155-I255 WeakPolarHBondContact CA-O 3.45Å; R156-I255 HydrophobicContact CB-CB 4.49Å; R156-I255 PolarHBondContact N-O 2.89Å; R156-I255 PolarHBondContact O-N 3.48Å; R156-I255 VanDerWaalsContact O-N 3.13Å; V158-I255 HydrophobicContact CG2-CD1 4.14Å; V158-I255 HydrophobicContact CG2-CG1 4.49Å; I179-I255 HydrophobicContact CD1-CD1 4.18Å; I179-I255 HydrophobicContact CD1-CG1 3.67Å; I179-I255 HydrophobicContact CG1-CD1 3.9Å; I179-I255 HydrophobicContact CG1-CG1 3.97Å; I179-I255 HydrophobicContact CG2-CD1 3.82Å; I179-I255 HydrophobicContact CG2-CG1 3.91Å; V247-I255 HydrophobicContact CG1-CG2 3.34Å; W248-I255 WeakPolarHBondContact O-CA 3.31Å; D253-I255 VanDerWaalsContact C-N 3.28Å; D253-I255 PolarHBondContact O-N 2.92Å; I255-V257 HydrophobicContact CG2-CG2 3.51Å; I255-L284 HydrophobicContact CD1-CD1 3.61Å; I255-F286 HydrophobicContact CD1-CE1 3.69Å; I255-F286 HydrophobicContact CD1-CZ 4.12Å
256	R	98.2	Very high	97.9	Very high	11 Å²	11	21.7 Å²	21.7	4%	0.042	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	106	164.6	-176.9	171.3	-73.4	172.7	-4.2	108.8	L154 V247 W248 E251 E252 D253 I258	L154-R256 CarbonylContact O-C 3.58Å; L154-R256 WeakPolarHBondContact O-CA 3.3Å; V247-R256 WeakPolarHBondContact CA-O 3.38Å; W248-R256 HydrophobicContact CB-CB 4.26Å; W248-R256 PolarHBondContact N-O 3.41Å; W248-R256 PolarHBondContact O-N 3.04Å; E251-R256 IonicContact OE1-NH1 3.24Å; E251-R256 IonicContact OE2-CZ 3.6Å; E251-R256 IonicContact OE2-NE 2.88Å; E251-R256 IonicContact OE2-NH1 2.7Å; E251-R256 PolarHBondContact OE2-NH1 2.89Å; E251-R256 IonicContact OE2-NH2 3.45Å; E252-R256 IonicContact OE1-NH2 3.94Å; E252-R256 IonicContact OE2-CZ 3.06Å; E252-R256 IonicContact OE2-NH1 3.34Å; E252-R256 IonicContact OE2-NH2 3.66Å; E252-R256 PolarHBondContact OE2-NH2 3.27Å; D253-R256 IonicContact OD2-NH2 3.32Å; D253-R256 PolarHBondContact OD2-NH2 3.46Å; R256-I258 HydrophobicContact CG-CD1 4.36Å; R256-I258 HydrophobicContact CG-CG1 4.26Å
257	V	98.4	Very high	97.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.7	-178.1	-170	0	0	0	0	108.9	R153 L154 F245 V247 I255 L273 I277 L280	R153-V257 CarbonylContact C-O 3.58Å; R153-V257 WeakPolarHBondContact CA-O 3.33Å; L154-V257 PolarHBondContact N-O 3.38Å; L154-V257 PolarHBondContact O-N 2.88Å; F245-V257 HydrophobicContact CD2-CG1 4.35Å; F245-V257 HydrophobicContact CE2-CG1 3.3Å; F245-V257 HydrophobicContact CZ-CG1 3.52Å; V247-V257 HydrophobicContact CG1-CG2 4.41Å; V247-V257 HydrophobicContact CG2-CG1 4.16Å; V247-V257 HydrophobicContact CG2-CG2 4.38Å; I255-V257 HydrophobicContact CG2-CG2 3.51Å; V257-L273 HydrophobicContact CB-CD1 3.99Å; V257-L273 HydrophobicContact CG1-CD1 3.46Å; V257-L273 VanDerWaalsContact CG1-CD1 3.46Å; V257-I277 HydrophobicContact CG2-CD1 4.13Å; V257-L280 HydrophobicContact CG2-CD1 4.42Å
258	I	98.4	Very high	97.9	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	125.4	-172.1	-55.8	164.1	0	0	0	108.5	R151 R153 F245 L246 W248 R256 M260	R151-I258 HydrophobicContact CG-CG2 3.94Å; R151-I258 VanDerWaalsContact NE-CG2 3.27Å; R151-I258 VanDerWaalsContact NH2-CG1 3.33Å; R153-I258 HydrophobicContact CB-CG1 4.06Å; F245-I258 CarbonylContact C-O 3.56Å; F245-I258 WeakPolarHBondContact CA-O 3.45Å; L246-I258 HydrophobicContact CB-CB 4.32Å; L246-I258 PolarHBondContact N-O 2.84Å; L246-I258 PolarHBondContact O-N 2.88Å; W248-I258 HydrophobicContact CD2-CD1 4.19Å; W248-I258 HydrophobicContact CZ2-CD1 4.31Å; R256-I258 HydrophobicContact CG-CD1 4.36Å; R256-I258 HydrophobicContact CG-CG1 4.26Å; I258-M260 HydrophobicContact CG2-CG 4.35Å; I258-M260 HydrophobicContact CG2-SD 3.9Å
259	S	98.4	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.1	164.6	-178.3	0	0	0	0	108.1	R151 V152 N244 V269 R272	R151-S259 CarbonylContact C-O 3.48Å; R151-S259 WeakPolarHBondContact CA-O 3.2Å; V152-S259 PolarHBondContact N-O 3.28Å; V152-S259 PolarHBondContact O-N 3.27Å; N244-S259 WeakPolarHBondContact O-CA 3.5Å; S259-V269 WeakPolarHBondContact CB-O 3.49Å; S259-V269 WeakPolarHBondContact O-CG1 3.33Å; S259-V269 PolarHBondContact OG-O 3.29Å; S259-R272 PolarHBondContact OG-NH1 3.07Å
260	M	97.5	Very high	97.9	Very high	46 Å²	46	22.5 Å²	22.5	23%	0.227	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	150.5	-178	58.5	-166.2	-77	0	0	112.8	T150 R151 N244 L246 I258	T150-M260 VanDerWaalsContact O-CA 3.27Å; T150-M260 WeakPolarHBondContact O-CA 3.45Å; R151-M260 HydrophobicContact CB-CB 3.95Å; R151-M260 HydrophobicContact CG-CB 4Å; N244-M260 VanDerWaalsContact CA-O 3.23Å; N244-M260 WeakPolarHBondContact CA-O 3.47Å; N244-M260 VanDerWaalsContact CB-O 3.22Å; N244-M260 WeakPolarHBondContact CB-O 3.3Å; N244-M260 PolarHBondContact O-N 2.88Å; L246-M260 HydrophobicContact CD1-CG 3.82Å; L246-M260 HydrophobicContact CD1-SD 3.7Å; I258-M260 HydrophobicContact CG2-CG 4.35Å; I258-M260 HydrophobicContact CG2-SD 3.9Å
261	Q	96.9	Very high	97.8	Very high	49 Å²	49	24.7 Å²	24.7	23%	0.229	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	168.1	170.9	68.1	-163.4	45.1	0	0	111.1	S149 T150 D265 V269	S149-Q261 WeakPolarHBondContact CA-O 3.32Å; S149-Q261 WeakPolarHBondContact CB-O 3.21Å; T150-Q261 PolarHBondContact N-O 3.3Å; T150-Q261 PolarHBondContact O-N 2.92Å; Q261-D265 PolarHBondContact NE2-OD2 3.25Å; Q261-V269 HydrophobicContact CB-CG2 4.44Å; Q261-V269 HydrophobicContact CG-CG2 3.52Å
262	K	96.1	Very high	97.9	Very high	166 Å²	166	24.5 Å²	24.5	72%	0.722	12%	0.122	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69	152.4	170.5	-63.8	-64.1	-174.6	-177.9	0	110.7
263	G	97.1	Very high	98	Very high	17 Å²	17	22.9 Å²	22.9	18%	0.175	12%	0.115	C	C	.	.	S	Bend	trans	81.7	-172.1	-179.3	0	0	0	0	0	114.5	V147 V148 S149 T150	V147-G263 WeakPolarHBondContact CG1-O 3.23Å; V148-G263 PolarHBondContact O-N 3.05Å; S149-G263 CarbonylContact C-O 3.56Å; T150-G263 WeakPolarHBondContact CB-O 3.23Å; T150-G263 PolarHBondContact N-O 2.95Å; T150-G263 VanDerWaalsContact N-O 3.16Å; T150-G263 PolarHBondContact OG1-O 2.97Å
264	G	97.8	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-101.5	7.5	-170.1	0	0	0	0	0	116.2	D139 L140 N141 T150 L266	D139-G264 WeakPolarHBondContact OD1-CA 3.38Å; L140-G264 PolarHBondContact N-O 3.46Å; N141-G264 PolarHBondContact ND2-N 3.16Å; T150-G264 WeakPolarHBondContact OG1-CA 3.19Å; G264-L266 VanDerWaalsContact C-N 3.26Å; G264-L266 PolarHBondContact O-N 2.65Å
265	D	98	Very high	97.9	Very high	50 Å²	50	25.9 Å²	25.9	27%	0.267	13%	0.131	S	C	.	.			trans	-72.9	77.1	-179	179.8	6.7	0	0	0	111.8	Q261 I267 A268 V269	Q261-D265 PolarHBondContact NE2-OD2 3.25Å; D265-I267 VanDerWaalsContact C-N 3.27Å; D265-I267 PolarHBondContact O-N 3.19Å; D265-I267 WeakPolarHBondContact OD1-CG2 3.31Å; D265-I267 PolarHBondContact OD1-N 3.42Å; D265-A268 PolarHBondContact OD1-N 2.71Å; D265-A268 WeakPolarHBondContact OD2-CB 3.27Å; D265-V269 WeakPolarHBondContact O-CG2 3.48Å
266	L	98.3	Very high	97.9	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-63.3	-32.6	177.7	178.4	62.6	0	0	0	112.3	F137 L140 T150 V152 G264 V269 Y270 A308 V365 M368 H369	F137-L266 HydrophobicContact CD2-CD2 4.45Å; L140-L266 HydrophobicContact CD1-CB 4.48Å; T150-L266 HydrophobicContact CG2-CB 4.06Å; T150-L266 HydrophobicContact CG2-CD1 3.66Å; T150-L266 HydrophobicContact CG2-CG 4.48Å; V152-L266 HydrophobicContact CG2-CD1 3.7Å; G264-L266 VanDerWaalsContact C-N 3.26Å; G264-L266 PolarHBondContact O-N 2.65Å; L266-V269 PolarHBondContact O-N 3.29Å; L266-Y270 VanDerWaalsContact O-CB 3.26Å; L266-Y270 WeakPolarHBondContact O-CB 3.38Å; L266-Y270 PolarHBondContact O-N 3.39Å; L266-A308 HydrophobicContact CD1-CB 4.47Å; L266-V365 HydrophobicContact CD1-CG2 4.05Å; L266-V365 HydrophobicContact CD2-CG2 3.78Å; L266-V365 HydrophobicContact CG-CG2 4.04Å; L266-M368 HydrophobicContact CD1-CE 4.28Å; L266-M368 HydrophobicContact CD2-SD 3.9Å; L266-H369 HydrophobicContact CD2-CB 3.78Å
267	I	97.7	Very high	97.9	Very high	28 Å²	28	25.4 Å²	25.4	14%	0.144	13%	0.13	C	C	.	.	H	α-helix	trans	-70.3	-42.4	-173	-172.6	63.2	0	0	0	111.3	L135 F137 D265 Y270 K271	L135-I267 HydrophobicContact CB-CD1 4.21Å; L135-I267 HydrophobicContact CD2-CD1 3.94Å; L135-I267 HydrophobicContact CG-CD1 3.73Å; L135-I267 WeakPolarHBondContact O-CD1 3.36Å; F137-I267 HydrophobicContact CB-CB 4.4Å; F137-I267 HydrophobicContact CD2-CB 4.48Å; F137-I267 HydrophobicContact CD2-CD1 3.85Å; F137-I267 HydrophobicContact CE2-CD1 4.38Å; D265-I267 VanDerWaalsContact C-N 3.27Å; D265-I267 PolarHBondContact O-N 3.19Å; D265-I267 WeakPolarHBondContact OD1-CG2 3.31Å; D265-I267 PolarHBondContact OD1-N 3.42Å; I267-Y270 PolarHBondContact O-N 3.18Å; I267-K271 HydrophobicContact CD1-CD 4.38Å; I267-K271 HydrophobicContact CD1-CG 4.22Å; I267-K271 HydrophobicContact CG1-CD 4.28Å; I267-K271 HydrophobicContact CG1-CG 4.46Å; I267-K271 WeakPolarHBondContact O-CG 3.25Å; I267-K271 PolarHBondContact O-N 3.3Å
268	A	97.9	Very high	97.8	Very high	30 Å²	30	29.8 Å²	29.8	25%	0.248	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-43.5	174.2	0	0	0	0	0	111.6	D265 Y270 R272	D265-A268 PolarHBondContact OD1-N 2.71Å; D265-A268 WeakPolarHBondContact OD2-CB 3.27Å; A268-Y270 VanDerWaalsContact C-N 3.35Å; A268-Y270 PolarHBondContact O-N 3.08Å; A268-R272 WeakPolarHBondContact O-CB 3.36Å; A268-R272 PolarHBondContact O-N 3.07Å; A268-R272 VanDerWaalsContact O-N 3.11Å
269	V	98.6	Very high	97.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.7	-44.9	177.9	176.5	0	0	0	0	111.2	T150 V152 S259 Q261 D265 L266 L273	T150-V269 HydrophobicContact CG2-CG2 4.42Å; V152-V269 HydrophobicContact CB-CG1 4.09Å; V152-V269 HydrophobicContact CG2-CG1 3.73Å; S259-V269 WeakPolarHBondContact CB-O 3.49Å; S259-V269 WeakPolarHBondContact O-CG1 3.33Å; S259-V269 PolarHBondContact OG-O 3.29Å; Q261-V269 HydrophobicContact CB-CG2 4.44Å; Q261-V269 HydrophobicContact CG-CG2 3.52Å; D265-V269 WeakPolarHBondContact O-CG2 3.48Å; L266-V269 PolarHBondContact O-N 3.29Å; V269-L273 PolarHBondContact O-N 3.49Å
270	Y	98.6	Very high	97.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.9	-47.1	-178.1	-177.1	-103	0	0	0	112.6	F129 L132 L135 V152 L266 I267 A268 R272 L273 A274 L306 E361 L362 V365	F129-Y270 WeakPolarHBondContact CA-OH 3.49Å; F129-Y270 HydrophobicContact CB-CE1 4.47Å; F129-Y270 HydrophobicContact CD1-CE1 4.34Å; F129-Y270 HydrophobicContact CD1-CE2 4.05Å; F129-Y270 AromaticContact CD1-CZ 3.68Å; F129-Y270 WeakPolarHBondContact CD1-OH 3.4Å; F129-Y270 WeakPolarHBondContact O-CE1 3.47Å; F129-Y270 PolarHBondContact O-OH 3.24Å; L132-Y270 HydrophobicContact CD2-CD1 4.47Å; L132-Y270 HydrophobicContact CD2-CE1 4.15Å; L135-Y270 HydrophobicContact CD2-CD1 3.71Å; L135-Y270 HydrophobicContact CD2-CE1 3.54Å; V152-Y270 HydrophobicContact CG1-CD2 4.42Å; L266-Y270 VanDerWaalsContact O-CB 3.26Å; L266-Y270 WeakPolarHBondContact O-CB 3.38Å; L266-Y270 PolarHBondContact O-N 3.39Å; I267-Y270 PolarHBondContact O-N 3.18Å; A268-Y270 VanDerWaalsContact C-N 3.35Å; A268-Y270 PolarHBondContact O-N 3.08Å; Y270-R272 PolarHBondContact O-N 3.4Å; Y270-L273 WeakPolarHBondContact O-CB 3.29Å; Y270-L273 PolarHBondContact O-N 3.45Å; Y270-L273 VanDerWaalsContact O-N 3.17Å; Y270-A274 WeakPolarHBondContact O-CB 3.47Å; Y270-A274 PolarHBondContact O-N 3.31Å; Y270-L306 HydrophobicContact CD2-CD1 4.47Å; Y270-L306 HydrophobicContact CE2-CD1 3.79Å; Y270-E361 VanDerWaalsContact OH-C 3.26Å; Y270-E361 PolarHBondContact OH-O 3.14Å; Y270-L362 WeakPolarHBondContact OH-CA 3.34Å; Y270-L362 PolarHBondContact OH-N 3.16Å; Y270-V365 HydrophobicContact CD1-CG1 4.47Å; Y270-V365 HydrophobicContact CD2-CB 3.89Å; Y270-V365 HydrophobicContact CD2-CG1 3.95Å; Y270-V365 HydrophobicContact CD2-CG2 3.74Å; Y270-V365 HydrophobicContact CE1-CG1 4.09Å; Y270-V365 HydrophobicContact CE2-CB 3.68Å; Y270-V365 HydrophobicContact CE2-CG1 3.49Å; Y270-V365 VanDerWaalsContact CE2-CG1 3.49Å; Y270-V365 HydrophobicContact CE2-CG2 4.08Å; Y270-V365 HydrophobicContact CG-CG1 4.4Å; Y270-V365 HydrophobicContact CG-CG2 4.19Å
271	K	98.1	Very high	97.8	Very high	56 Å²	56	34 Å²	34	24%	0.243	18%	0.175	C	C	.	.	H	α-helix	trans	-59.8	-47.6	178	-71.3	-174.5	-172.6	-171.1	0	111.3	L132 L135 I267 L273 A274 D275	L132-K271 HydrophobicContact CD2-CG 4.41Å; L132-K271 WeakPolarHBondContact O-CD 3.49Å; L132-K271 WeakPolarHBondContact O-CE 3.43Å; L132-K271 PolarHBondContact O-NZ 3.06Å; L135-K271 WeakPolarHBondContact O-CE 3.31Å; L135-K271 PolarHBondContact O-NZ 3.37Å; I267-K271 HydrophobicContact CD1-CD 4.38Å; I267-K271 HydrophobicContact CD1-CG 4.22Å; I267-K271 HydrophobicContact CG1-CD 4.28Å; I267-K271 HydrophobicContact CG1-CG 4.46Å; I267-K271 WeakPolarHBondContact O-CG 3.25Å; I267-K271 PolarHBondContact O-N 3.3Å; K271-L273 PolarHBondContact O-N 3.14Å; K271-A274 PolarHBondContact O-N 2.93Å; K271-A274 VanDerWaalsContact O-N 3.1Å; K271-D275 WeakPolarHBondContact O-CB 3.2Å; K271-D275 PolarHBondContact O-N 2.84Å
272	R	98.4	Very high	97.8	Very high	16 Å²	16	38.9 Å²	38.9	6%	0.06	20%	0.196	C	C	.	.	H	α-helix	trans	-55	-40.1	175.7	-173.9	-172.8	-49.1	121.9	7.7	112.2	E189 Y190 N244 S259 A268 Y270 A276	E189-R272 WeakPolarHBondContact OE1-CD 3.27Å; E189-R272 IonicContact OE1-CZ 3.88Å; E189-R272 IonicContact OE1-NE 2.73Å; E189-R272 PolarHBondContact OE1-NE 3.09Å; E189-R272 IonicContact OE1-NH2 3.67Å; Y190-R272 HydrophobicContact CE1-CG 3.71Å; Y190-R272 WeakPolarHBondContact CE1-O 3.44Å; Y190-R272 PolarHBondContact OH-O 2.84Å; N244-R272 VanDerWaalsContact CG-CZ 3.4Å; N244-R272 PolarHBondContact ND2-NE 3.14Å; N244-R272 PolarHBondContact ND2-NH2 2.87Å; N244-R272 PolarHBondContact O-NH1 3.18Å; S259-R272 PolarHBondContact OG-NH1 3.07Å; A268-R272 WeakPolarHBondContact O-CB 3.36Å; A268-R272 PolarHBondContact O-N 3.07Å; A268-R272 VanDerWaalsContact O-N 3.11Å; Y270-R272 PolarHBondContact O-N 3.4Å; R272-A276 WeakPolarHBondContact O-CB 3.29Å; R272-A276 PolarHBondContact O-N 2.97Å
273	L	98.5	Very high	97.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70.5	-44.9	177.5	-173.1	70.5	0	0	0	112.3	V152 L154 V257 V269 Y270 K271 A276 I277	V152-L273 HydrophobicContact CB-CD2 3.76Å; V152-L273 HydrophobicContact CG1-CD2 3.35Å; L154-L273 HydrophobicContact CD1-CD1 4.43Å; L154-L273 HydrophobicContact CD1-CD2 3.78Å; L154-L273 HydrophobicContact CD1-CG 3.87Å; L154-L273 HydrophobicContact CG-CD2 3.84Å; L154-L273 HydrophobicContact CG-CG 4.4Å; V257-L273 HydrophobicContact CB-CD1 3.99Å; V257-L273 HydrophobicContact CG1-CD1 3.46Å; V257-L273 VanDerWaalsContact CG1-CD1 3.46Å; V269-L273 PolarHBondContact O-N 3.49Å; Y270-L273 WeakPolarHBondContact O-CB 3.29Å; Y270-L273 PolarHBondContact O-N 3.45Å; Y270-L273 VanDerWaalsContact O-N 3.17Å; K271-L273 PolarHBondContact O-N 3.14Å; L273-A276 PolarHBondContact O-N 2.79Å; L273-I277 WeakPolarHBondContact O-CG2 3.47Å; L273-I277 PolarHBondContact O-N 3.24Å; L273-I277 VanDerWaalsContact O-N 3.08Å
274	A	98.2	Very high	97.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-46.4	-176.9	0	0	0	0	0	111.9	F129 L132 Y270 K271 I277 Q278	F129-A274 HydrophobicContact CB-CB 4Å; F129-A274 HydrophobicContact CD1-CB 3.44Å; F129-A274 VanDerWaalsContact CD1-CB 3.44Å; F129-A274 HydrophobicContact CE1-CB 4.06Å; F129-A274 HydrophobicContact CG-CB 3.81Å; L132-A274 HydrophobicContact CD1-CB 3.71Å; L132-A274 HydrophobicContact CD2-CB 3.88Å; L132-A274 HydrophobicContact CG-CB 4.45Å; Y270-A274 WeakPolarHBondContact O-CB 3.47Å; Y270-A274 PolarHBondContact O-N 3.31Å; K271-A274 PolarHBondContact O-N 2.93Å; K271-A274 VanDerWaalsContact O-N 3.1Å; A274-I277 VanDerWaalsContact O-CG2 3.31Å; A274-I277 WeakPolarHBondContact O-CG2 3.33Å; A274-I277 PolarHBondContact O-N 2.92Å; A274-Q278 WeakPolarHBondContact O-CB 3.33Å; A274-Q278 VanDerWaalsContact O-CG 3.25Å; A274-Q278 WeakPolarHBondContact O-CG 3.37Å; A274-Q278 PolarHBondContact O-N 3.37Å
275	D	97.4	Very high	97.9	Very high	70 Å²	70	41 Å²	41	37%	0.374	21%	0.209	S	C	.	.	H	α-helix	trans	-62	-45.5	177.6	-73.6	-30.4	0	0	0	110.9	L132 Y190 K271 I277 Q278 E279	L132-D275 WeakPolarHBondContact CD1-OD1 3.34Å; Y190-D275 WeakPolarHBondContact OH-CB 3.49Å; K271-D275 WeakPolarHBondContact O-CB 3.2Å; K271-D275 PolarHBondContact O-N 2.84Å; D275-I277 PolarHBondContact O-N 3.32Å; D275-Q278 PolarHBondContact O-N 3.19Å; D275-E279 PolarHBondContact O-N 3.12Å
276	A	98.2	Very high	97.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.2	-45.3	178.3	0	0	0	0	0	112.8	Y190 F245 R272 L273 E279 L280	Y190-A276 HydrophobicContact CD1-CB 4.02Å; Y190-A276 HydrophobicContact CE1-CB 3.51Å; Y190-A276 HydrophobicContact CE2-CB 4.37Å; Y190-A276 PolarHBondContact OH-N 2.66Å; F245-A276 HydrophobicContact CD2-CB 4.28Å; F245-A276 HydrophobicContact CE2-CB 3.35Å; F245-A276 HydrophobicContact CZ-CB 3.55Å; R272-A276 WeakPolarHBondContact O-CB 3.29Å; R272-A276 PolarHBondContact O-N 2.97Å; L273-A276 PolarHBondContact O-N 2.79Å; A276-E279 PolarHBondContact O-N 3.2Å; A276-L280 WeakPolarHBondContact O-CG 3.36Å; A276-L280 PolarHBondContact O-N 2.76Å
277	I	98	Very high	97.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-73.7	-32	-176.8	-164.2	64.1	0	0	0	112.1	F129 L154 R156 V257 L273 A274 D275 E279 L280 S281 F286	F129-I277 HydrophobicContact CE1-CG2 4.29Å; F129-I277 HydrophobicContact CE2-CG2 3.96Å; F129-I277 HydrophobicContact CZ-CG2 3.64Å; L154-I277 HydrophobicContact CD1-CB 4.3Å; L154-I277 HydrophobicContact CD1-CG1 4.32Å; L154-I277 HydrophobicContact CD1-CG2 4Å; R156-I277 HydrophobicContact CG-CD1 3.9Å; V257-I277 HydrophobicContact CG2-CD1 4.13Å; L273-I277 WeakPolarHBondContact O-CG2 3.47Å; L273-I277 PolarHBondContact O-N 3.24Å; L273-I277 VanDerWaalsContact O-N 3.08Å; A274-I277 VanDerWaalsContact O-CG2 3.31Å; A274-I277 WeakPolarHBondContact O-CG2 3.33Å; A274-I277 PolarHBondContact O-N 2.92Å; D275-I277 PolarHBondContact O-N 3.32Å; I277-E279 VanDerWaalsContact C-N 3.34Å; I277-L280 HydrophobicContact CD1-CB 4.49Å; I277-L280 HydrophobicContact CD1-CD1 4.37Å; I277-S281 WeakPolarHBondContact O-CB 3.12Å; I277-S281 PolarHBondContact O-N 3.21Å; I277-S281 PolarHBondContact O-OG 3.39Å; I277-F286 HydrophobicContact CD1-CE2 3.95Å; I277-F286 HydrophobicContact CD1-CZ 4.17Å
278	Q	96.9	Very high	98	Very high	91 Å²	91	41.1 Å²	41.1	43%	0.425	21%	0.207	S	C	.	.	H	α-helix	trans	-64.5	-40.1	171.8	-73.7	177.3	10	0	0	111.1	A274 D275 S281	A274-Q278 WeakPolarHBondContact O-CB 3.33Å; A274-Q278 VanDerWaalsContact O-CG 3.25Å; A274-Q278 WeakPolarHBondContact O-CG 3.37Å; A274-Q278 PolarHBondContact O-N 3.37Å; D275-Q278 PolarHBondContact O-N 3.19Å; Q278-S281 PolarHBondContact O-N 3.11Å
279	E	97.2	Very high	98	Very high	80 Å²	80	42 Å²	42	37%	0.374	21%	0.208	S	C	.	.	H	α-helix	trans	-67	-46.7	175.6	-164.1	62.5	-157.6	0	0	112	L186 D275 A276 I277 S281 K282	L186-E279 HydrophobicContact CD2-CB 3.68Å; L186-E279 HydrophobicContact CD2-CG 3.5Å; L186-E279 VanDerWaalsContact CD2-CG 3.5Å; D275-E279 PolarHBondContact O-N 3.12Å; A276-E279 PolarHBondContact O-N 3.2Å; I277-E279 VanDerWaalsContact C-N 3.34Å; E279-S281 PolarHBondContact O-N 3.37Å; E279-K282 VanDerWaalsContact O-CB 3.32Å; E279-K282 WeakPolarHBondContact O-CB 3.41Å; E279-K282 PolarHBondContact O-N 3.05Å; E279-K282 IonicContact OE1-NZ 3.99Å; E279-K282 WeakPolarHBondContact OE2-CE 3.5Å; E279-K282 IonicContact OE2-NZ 2.81Å; E279-K282 PolarHBondContact OE2-NZ 2.84Å
280	L	98	Very high	97.9	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-59.5	-34.4	175.7	-74.1	173.8	0	0	0	112.5	A182 L183 L186 V257 A276 I277 K282 S283 L284 F286	A182-L280 HydrophobicContact CB-CD2 3.95Å; L183-L280 HydrophobicContact CD2-CD1 4.02Å; L183-L280 HydrophobicContact CD2-CD2 3.95Å; L183-L280 HydrophobicContact CG-CD2 4.39Å; L186-L280 HydrophobicContact CD1-CD2 4.12Å; L186-L280 HydrophobicContact CD1-CG 4.23Å; L186-L280 HydrophobicContact CD2-CD2 4.23Å; L186-L280 HydrophobicContact CD2-CG 4.26Å; L186-L280 HydrophobicContact CG-CD2 4.26Å; V257-L280 HydrophobicContact CG2-CD1 4.42Å; A276-L280 WeakPolarHBondContact O-CG 3.36Å; A276-L280 PolarHBondContact O-N 2.76Å; I277-L280 HydrophobicContact CD1-CB 4.49Å; I277-L280 HydrophobicContact CD1-CD1 4.37Å; L280-K282 PolarHBondContact O-N 3.31Å; L280-S283 PolarHBondContact O-N 2.58Å; L280-L284 HydrophobicContact CD2-CD1 4.49Å; L280-L284 PolarHBondContact O-N 3.49Å; L280-F286 HydrophobicContact CB-CZ 4.28Å
281	S	97.4	Very high	97.9	Very high	58 Å²	58	48 Å²	48	41%	0.406	24%	0.237	S	C	.	.	H	α-helix	trans	-65	-18	178.2	-59.7	0	0	0	0	113.2	I277 Q278 E279 F286	I277-S281 WeakPolarHBondContact O-CB 3.12Å; I277-S281 PolarHBondContact O-N 3.21Å; I277-S281 PolarHBondContact O-OG 3.39Å; Q278-S281 PolarHBondContact O-N 3.11Å; E279-S281 PolarHBondContact O-N 3.37Å; S281-F286 WeakPolarHBondContact OG-CE2 3.25Å
282	K	97	Very high	97.9	Very high	152 Å²	152	45.3 Å²	45.3	66%	0.661	23%	0.226	S	C	*	.	H	α-helix	trans	-74.2	-29.2	172.8	-59.5	173.8	-176.7	170.4	0	112.2	E279 L280	E279-K282 VanDerWaalsContact O-CB 3.32Å; E279-K282 WeakPolarHBondContact O-CB 3.41Å; E279-K282 PolarHBondContact O-N 3.05Å; E279-K282 IonicContact OE1-NZ 3.99Å; E279-K282 WeakPolarHBondContact OE2-CE 3.5Å; E279-K282 IonicContact OE2-NZ 2.81Å; E279-K282 PolarHBondContact OE2-NZ 2.84Å; L280-K282 PolarHBondContact O-N 3.31Å
283	S	97	Very high	98	Very high	68 Å²	68	44.5 Å²	44.5	48%	0.476	22%	0.223	S	C	.	.	H	α-helix	trans	-102.6	-25.2	-176.4	-61.5	0	0	0	0	113.3	L280	L280-S283 PolarHBondContact O-N 2.58Å
284	L	98	Very high	98	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	23%	0.226	C	C	.	.	S	Bend	trans	-122.7	126.2	-175.4	-59.8	176.2	0	0	0	110.4	K178 I179 A182 I255 L280 F286	K178-L284 HydrophobicContact CD-CD2 4.38Å; K178-L284 HydrophobicContact CG-CD2 3.83Å; I179-L284 HydrophobicContact CG1-CD1 4.37Å; A182-L284 HydrophobicContact CB-CD1 3.9Å; A182-L284 HydrophobicContact CB-CD2 4.09Å; A182-L284 HydrophobicContact CB-CG 3.85Å; I255-L284 HydrophobicContact CD1-CD1 3.61Å; L280-L284 HydrophobicContact CD2-CD1 4.49Å; L280-L284 PolarHBondContact O-N 3.49Å; L284-F286 HydrophobicContact CB-CD1 4.32Å; L284-F286 HydrophobicContact CB-CE1 3.64Å; L284-F286 HydrophobicContact CB-CE2 4.45Å; L284-F286 HydrophobicContact CB-CZ 3.73Å; L284-F286 HydrophobicContact CD1-CE1 4.03Å; L284-F286 HydrophobicContact CD1-CZ 4.04Å; L284-F286 PolarHBondContact O-N 3.5Å
285	K	98.3	Very high	98	Very high	156 Å²	156	45.5 Å²	45.5	68%	0.678	23%	0.227	S	C	*	.			trans	-81.9	115.5	171.8	-61.8	-174.5	179.6	-174.7	0	109.3	V158 E159	V158-K285 WeakPolarHBondContact CA-O 3.26Å; E159-K285 HydrophobicContact CB-CB 4.41Å; E159-K285 HydrophobicContact CG-CB 4.34Å; E159-K285 PolarHBondContact N-O 3.06Å; E159-K285 WeakPolarHBondContact OE2-CB 3.23Å
286	F	98.7	Very high	98.1	Very high	20 Å²	20	42.2 Å²	42.2	9%	0.088	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-97.9	133.8	-179.3	-61.3	-49.4	0	0	0	111.7	R156 T157 V158 I255 I277 L280 S281 L284 F288 F294	R156-F286 HydrophobicContact CB-CD1 3.54Å; R156-F286 HydrophobicContact CB-CD2 4.49Å; R156-F286 HydrophobicContact CB-CE1 3.66Å; R156-F286 HydrophobicContact CB-CG 3.98Å; R156-F286 HydrophobicContact CB-CZ 4.19Å; R156-F286 HydrophobicContact CG-CD1 4Å; R156-F286 HydrophobicContact CG-CD2 4.03Å; R156-F286 HydrophobicContact CG-CE1 4.07Å; R156-F286 HydrophobicContact CG-CE2 4.09Å; R156-F286 HydrophobicContact CG-CG 3.98Å; R156-F286 HydrophobicContact CG-CZ 4.1Å; T157-F286 CarbonylContact O-C 3.59Å; T157-F286 VanDerWaalsContact O-CA 3.31Å; T157-F286 WeakPolarHBondContact O-CA 3.38Å; V158-F286 HydrophobicContact CG2-CD1 4.36Å; V158-F286 HydrophobicContact CG2-CE1 4.17Å; I255-F286 HydrophobicContact CD1-CE1 3.69Å; I255-F286 HydrophobicContact CD1-CZ 4.12Å; I277-F286 HydrophobicContact CD1-CE2 3.95Å; I277-F286 HydrophobicContact CD1-CZ 4.17Å; L280-F286 HydrophobicContact CB-CZ 4.28Å; S281-F286 WeakPolarHBondContact OG-CE2 3.25Å; L284-F286 HydrophobicContact CB-CD1 4.32Å; L284-F286 HydrophobicContact CB-CE1 3.64Å; L284-F286 HydrophobicContact CB-CE2 4.45Å; L284-F286 HydrophobicContact CB-CZ 3.73Å; L284-F286 HydrophobicContact CD1-CE1 4.03Å; L284-F286 HydrophobicContact CD1-CZ 4.04Å; L284-F286 PolarHBondContact O-N 3.5Å; F286-F288 PolarHBondContact O-N 2.8Å; F286-F294 HydrophobicContact CB-CD1 4.23Å; F286-F294 HydrophobicContact CB-CE1 4.12Å
287	A	98.6	Very high	98.1	Very high	5 Å²	5	42.4 Å²	42.4	4%	0.041	21%	0.21	C	C	.	.			trans	-66.6	117	178.4	0	0	0	0	0	110.6	L97 T157 E159 I295	L97-A287 HydrophobicContact CD1-CB 4.42Å; L97-A287 HydrophobicContact CD2-CB 4.37Å; T157-A287 HydrophobicContact CG2-CB 4.31Å; T157-A287 PolarHBondContact O-N 3.31Å; E159-A287 HydrophobicContact CG-CB 4.1Å; A287-I295 HydrophobicContact CB-CB 4.18Å; A287-I295 HydrophobicContact CB-CG1 4.16Å; A287-I295 PolarHBondContact O-N 2.82Å
288	F	98.6	Very high	98.1	Very high	56 Å²	56	42.5 Å²	42.5	25%	0.246	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	142.3	179.8	179.1	-81.1	0	0	0	109.9	K126 F286 G293 F294	K126-F288 HydrophobicContact CD-CE1 4.21Å; K126-F288 HydrophobicContact CD-CZ 4.44Å; F286-F288 PolarHBondContact O-N 2.8Å; F288-G293 VanDerWaalsContact CA-O 3.31Å; F288-G293 WeakPolarHBondContact CA-O 3.47Å; F288-G293 VanDerWaalsContact CE2-CA 3.46Å; F288-F294 HydrophobicContact CB-CD1 4.14Å; F288-F294 HydrophobicContact CB-CE1 4.26Å; F288-F294 AromaticContact CD2-CD1 3.91Å; F288-F294 HydrophobicContact CD2-CD1 3.91Å; F288-F294 AromaticContact CD2-CD2 3.99Å; F288-F294 HydrophobicContact CD2-CD2 3.99Å; F288-F294 AromaticContact CD2-CE1 3.95Å; F288-F294 HydrophobicContact CD2-CE1 3.95Å; F288-F294 HydrophobicContact CD2-CE2 4.02Å; F288-F294 AromaticContact CD2-CG 3.93Å; F288-F294 HydrophobicContact CD2-CG 3.93Å; F288-F294 HydrophobicContact CD2-CZ 4.01Å; F288-F294 HydrophobicContact CE2-CD2 4.37Å; F288-F294 HydrophobicContact CE2-CE2 4.31Å
289	N	97.8	Very high	98.2	Very high	49 Å²	49	38.2 Å²	38.2	26%	0.262	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158.7	164.3	72	49.6	0	0	0	111.8	R291 L292 G293	N289-R291 PolarHBondContact O-N 3.03Å; N289-R291 VanDerWaalsContact O-N 3.14Å; N289-R291 WeakPolarHBondContact OD1-CB 3.41Å; N289-R291 PolarHBondContact OD1-N 3.34Å; N289-R291 VanDerWaalsContact OD1-N 3.08Å; N289-L292 PolarHBondContact O-N 3.26Å; N289-L292 WeakPolarHBondContact OD1-CB 3.25Å; N289-L292 PolarHBondContact OD1-N 3.48Å; N289-G293 PolarHBondContact N-O 2.97Å; N289-G293 VanDerWaalsContact O-CA 3.27Å; N289-G293 WeakPolarHBondContact O-CA 3.39Å; N289-G293 PolarHBondContact O-N 3.43Å
290	D	97.7	Very high	98.2	Very high	95 Å²	95	35.4 Å²	35.4	51%	0.508	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.8	-173.9	-66.1	-37.6	0	0	0	114.1	H124 K126	H124-D290 PolarHBondContact N-O 2.95Å; H124-D290 VanDerWaalsContact O-O 3.13Å; K126-D290 WeakPolarHBondContact CE-OD1 3.22Å; K126-D290 IonicContact NZ-OD1 3.29Å; K126-D290 PolarHBondContact NZ-OD1 3.28Å; K126-D290 IonicContact NZ-OD2 3.51Å
291	R	98.4	Very high	98.2	Very high	29 Å²	29	36.1 Å²	36.1	11%	0.109	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-50.4	177.9	-175.3	167.4	61.8	83.5	-11.5	111.1	Y100 E101 D108 I122 Q123 N289	Y100-R291 PolarHBondContact O-NH2 3.48Å; E101-R291 IonicContact OE2-CZ 3.73Å; E101-R291 IonicContact OE2-NE 3.72Å; E101-R291 IonicContact OE2-NH2 3.65Å; E101-R291 PolarHBondContact OE2-NH2 2.85Å; D108-R291 IonicContact OD1-CZ 3.57Å; D108-R291 IonicContact OD1-NH1 3.83Å; D108-R291 PolarHBondContact OD1-NH1 3.37Å; D108-R291 IonicContact OD1-NH2 2.75Å; D108-R291 IonicContact OD2-CZ 2.66Å; D108-R291 IonicContact OD2-NH1 3.18Å; I122-R291 HydrophobicContact CB-CG 4.05Å; I122-R291 HydrophobicContact CG2-CG 3.89Å; I122-R291 WeakPolarHBondContact CG2-O 3.42Å; Q123-R291 CarbonylContact C-O 3.58Å; Q123-R291 WeakPolarHBondContact CA-O 3.49Å; N289-R291 PolarHBondContact O-N 3.03Å; N289-R291 VanDerWaalsContact O-N 3.14Å; N289-R291 WeakPolarHBondContact OD1-CB 3.41Å; N289-R291 PolarHBondContact OD1-N 3.34Å; N289-R291 VanDerWaalsContact OD1-N 3.08Å
292	L	98.6	Very high	98.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-5.7	-168.6	-59.2	-175.2	0	0	0	113.8	Y100 I111 I122 N289 I295 L302 G303 L357	Y100-L292 HydrophobicContact CD1-CD1 3.97Å; Y100-L292 HydrophobicContact CG-CD1 3.81Å; I111-L292 HydrophobicContact CD1-CD1 4.27Å; I111-L292 HydrophobicContact CD1-CD2 3.87Å; I111-L292 HydrophobicContact CG2-CD2 4.26Å; I122-L292 HydrophobicContact CG2-CD2 3.73Å; N289-L292 PolarHBondContact O-N 3.26Å; N289-L292 WeakPolarHBondContact OD1-CB 3.25Å; N289-L292 PolarHBondContact OD1-N 3.48Å; L292-I295 HydrophobicContact CB-CD1 3.94Å; L292-I295 HydrophobicContact CD1-CD1 4.19Å; L292-L302 HydrophobicContact CB-CD2 4.49Å; L292-L302 HydrophobicContact CD1-CD1 4.37Å; L292-L302 HydrophobicContact CD2-CD1 4.28Å; L292-G303 VanDerWaalsContact O-CA 3.23Å; L292-G303 WeakPolarHBondContact O-CA 3.45Å; L292-G303 PolarHBondContact O-N 3.28Å; L292-L357 WeakPolarHBondContact O-CD1 3.1Å
293	G	98.7	Very high	98.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.8	-139.9	-170.8	0	0	0	0	0	112	H124 F288 N289	H124-G293 WeakPolarHBondContact CD2-CA 3.44Å; F288-G293 VanDerWaalsContact CA-O 3.31Å; F288-G293 WeakPolarHBondContact CA-O 3.47Å; F288-G293 VanDerWaalsContact CE2-CA 3.46Å; N289-G293 PolarHBondContact N-O 2.97Å; N289-G293 VanDerWaalsContact O-CA 3.27Å; N289-G293 WeakPolarHBondContact O-CA 3.39Å; N289-G293 PolarHBondContact O-N 3.43Å
294	F	98.8	Very high	98.4	Very high	17 Å²	17	22.9 Å²	22.9	8%	0.075	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	133.1	175.3	-67.8	-75.4	0	0	0	111	R156 F286 F288 G303 T305	R156-F294 VanDerWaalsContact CD-CD1 3.47Å; R156-F294 VanDerWaalsContact CZ-CD2 3.45Å; R156-F294 VanDerWaalsContact CZ-CE2 3.48Å; F286-F294 HydrophobicContact CB-CD1 4.23Å; F286-F294 HydrophobicContact CB-CE1 4.12Å; F288-F294 HydrophobicContact CB-CD1 4.14Å; F288-F294 HydrophobicContact CB-CE1 4.26Å; F288-F294 AromaticContact CD2-CD1 3.91Å; F288-F294 HydrophobicContact CD2-CD1 3.91Å; F288-F294 AromaticContact CD2-CD2 3.99Å; F288-F294 HydrophobicContact CD2-CD2 3.99Å; F288-F294 AromaticContact CD2-CE1 3.95Å; F288-F294 HydrophobicContact CD2-CE1 3.95Å; F288-F294 HydrophobicContact CD2-CE2 4.02Å; F288-F294 AromaticContact CD2-CG 3.93Å; F288-F294 HydrophobicContact CD2-CG 3.93Å; F288-F294 HydrophobicContact CD2-CZ 4.01Å; F288-F294 HydrophobicContact CE2-CD2 4.37Å; F288-F294 HydrophobicContact CE2-CE2 4.31Å; F294-G303 WeakPolarHBondContact CD2-O 3.39Å; F294-G303 PolarHBondContact N-O 3.33Å; F294-T305 HydrophobicContact CB-CG2 3.7Å
295	I	98.8	Very high	98.5	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	11%	0.11	C	C	.	.			trans	-80	137.4	179.8	-53	-56	0	0	0	110.1	L97 Y100 T157 A287 L292 L302	L97-I295 HydrophobicContact CB-CG2 3.86Å; Y100-I295 HydrophobicContact CD2-CG2 3.73Å; Y100-I295 HydrophobicContact CE2-CG2 3.7Å; T157-I295 VanDerWaalsContact CB-O 3.3Å; T157-I295 WeakPolarHBondContact CB-O 3.29Å; T157-I295 PolarHBondContact OG1-O 3.46Å; A287-I295 HydrophobicContact CB-CB 4.18Å; A287-I295 HydrophobicContact CB-CG1 4.16Å; A287-I295 PolarHBondContact O-N 2.82Å; L292-I295 HydrophobicContact CB-CD1 3.94Å; L292-I295 HydrophobicContact CD1-CD1 4.19Å; I295-L302 HydrophobicContact CD1-CD2 4.45Å
296	T	98.8	Very high	98.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.			trans	-132.8	163	179.3	53.7	0	0	0	0	110.5	S94 Y100 D253 C298 N301 L302 T305	S94-T296 PolarHBondContact OG-O 2.75Å; Y100-T296 WeakPolarHBondContact CE2-O 3.41Å; Y100-T296 PolarHBondContact OH-O 3.14Å; D253-T296 WeakPolarHBondContact OD1-CA 3.35Å; D253-T296 VanDerWaalsContact OD1-CB 3.27Å; D253-T296 WeakPolarHBondContact OD1-CB 3.49Å; T296-C298 PolarHBondContact OG1-O 3.27Å; T296-N301 HydrophobicContact CG2-CB 3.97Å; T296-N301 WeakPolarHBondContact CG2-O 3.2Å; T296-N301 VanDerWaalsContact OG1-C 3.31Å; T296-L302 PolarHBondContact OG1-N 3.08Å; T296-T305 HydrophobicContact CG2-CG2 3.58Å
297	F	98.6	Very high	98.5	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.018	7%	0.074	C	C	.	.	S	Bend	trans	-65	-42	178.1	176.9	-116.8	0	0	0	112.4	R93 S94 F163 L222 A225 E252 D253	R93-F297 HydrophobicContact CB-CD1 4.28Å; R93-F297 HydrophobicContact CB-CD2 4.26Å; R93-F297 HydrophobicContact CB-CE1 3.77Å; R93-F297 HydrophobicContact CB-CE2 3.75Å; R93-F297 HydrophobicContact CB-CZ 3.5Å; R93-F297 VanDerWaalsContact CD-CE1 3.44Å; R93-F297 HydrophobicContact CG-CD1 4.04Å; R93-F297 HydrophobicContact CG-CE1 3.43Å; R93-F297 VanDerWaalsContact CG-CE1 3.43Å; R93-F297 HydrophobicContact CG-CE2 4.36Å; R93-F297 HydrophobicContact CG-CZ 3.65Å; S94-F297 PolarHBondContact N-O 2.89Å; S94-F297 VanDerWaalsContact O-CD2 3.25Å; S94-F297 WeakPolarHBondContact O-CD2 3.47Å; S94-F297 WeakPolarHBondContact O-CE2 3.42Å; S94-F297 WeakPolarHBondContact OG-CA 3.48Å; S94-F297 PolarHBondContact OG-O 3.02Å; F163-F297 HydrophobicContact CB-CD2 3.65Å; F163-F297 HydrophobicContact CB-CE2 4Å; F163-F297 HydrophobicContact CD1-CB 4.21Å; F163-F297 HydrophobicContact CD1-CD2 4.27Å; F163-F297 HydrophobicContact CD2-CB 4.47Å; F163-F297 AromaticContact CD2-CD2 3.85Å; F163-F297 HydrophobicContact CD2-CD2 3.85Å; F163-F297 HydrophobicContact CE1-CB 4.23Å; F163-F297 HydrophobicContact CG-CB 4.35Å; F163-F297 AromaticContact CG-CD2 3.68Å; F163-F297 HydrophobicContact CG-CD2 3.68Å; F163-F297 HydrophobicContact CG-CE2 4.5Å; F163-F297 HydrophobicContact CG-CG 4.48Å; F163-F297 HydrophobicContact CZ-CB 4.39Å; L222-F297 HydrophobicContact CD1-CD1 4.27Å; L222-F297 HydrophobicContact CD1-CE1 3.61Å; L222-F297 HydrophobicContact CD1-CZ 4.39Å; A225-F297 HydrophobicContact CB-CE1 4.06Å; A225-F297 HydrophobicContact CB-CZ 3.62Å; E252-F297 HydrophobicContact CG-CB 4.41Å; E252-F297 HydrophobicContact CG-CD1 3.59Å; E252-F297 HydrophobicContact CG-CE1 4.35Å; E252-F297 HydrophobicContact CG-CG 4.44Å; E252-F297 WeakPolarHBondContact O-CB 3.24Å; D253-F297 PolarHBondContact OD1-N 3.33Å
298	C	98.2	Very high	98.5	Very high	4 Å²	4	14.3 Å²	14.3	3%	0.027	7%	0.072	C	C	.	.	S	Bend	trans	-98.7	132.1	177	-175	0	0	0	0	111.4	E252 T296 S300 N301	E252-C298 WeakPolarHBondContact OE1-CB 3.36Å; T296-C298 PolarHBondContact OG1-O 3.27Å; C298-S300 PolarHBondContact O-N 3.38Å; C298-S300 PolarHBondContact SG-OG 3.01Å; C298-N301 PolarHBondContact O-N 3.15Å; C298-N301 VanDerWaalsContact O-N 3.16Å
299	P	98.6	Very high	98.4	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.006	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-58.1	-22.6	177.7	-24.1	32.7	0	0	0	114.9	P92 Y100 F107 I111 H115 N301 L302	P92-P299 HydrophobicContact CG-CG 4.23Å; P92-P299 WeakPolarHBondContact O-CD 3.49Å; Y100-P299 HydrophobicContact CE1-CB 4.38Å; Y100-P299 HydrophobicContact CE1-CG 4.15Å; F107-P299 HydrophobicContact CD1-CG 4.28Å; F107-P299 HydrophobicContact CE1-CG 4.09Å; I111-P299 HydrophobicContact CG1-CB 4.23Å; H115-P299 PolarHBondContact NE2-O 3.12Å; P299-N301 PolarHBondContact O-N 3.2Å; P299-L302 HydrophobicContact CB-CD1 4.37Å; P299-L302 WeakPolarHBondContact O-CG 3.48Å; P299-L302 PolarHBondContact O-N 2.84Å
300	S	97.6	Very high	98.4	Very high	21 Å²	21	9.4 Å²	9.4	15%	0.147	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-65.9	-22.8	179.3	64.7	0	0	0	0	114.1	Y114 C298	Y114-S300 WeakPolarHBondContact OH-CB 3.49Å; C298-S300 PolarHBondContact O-N 3.38Å; C298-S300 PolarHBondContact SG-OG 3.01Å
301	N	98.4	Very high	98.4	Very high	15 Å²	15	6.9 Å²	6.9	8%	0.08	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	-105	9.7	-175.3	-64	-45.5	0	0	0	113.2	T296 C298 P299 T305	T296-N301 HydrophobicContact CG2-CB 3.97Å; T296-N301 WeakPolarHBondContact CG2-O 3.2Å; T296-N301 VanDerWaalsContact OG1-C 3.31Å; C298-N301 PolarHBondContact O-N 3.15Å; C298-N301 VanDerWaalsContact O-N 3.16Å; P299-N301 PolarHBondContact O-N 3.2Å; N301-T305 WeakPolarHBondContact O-CA 3.39Å; N301-T305 WeakPolarHBondContact O-CB 3.3Å; N301-T305 VanDerWaalsContact O-CG2 3.24Å; N301-T305 WeakPolarHBondContact O-CG2 3.49Å
302	L	98.7	Very high	98.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.			trans	-62.1	165.1	175.3	-65.7	172.2	0	0	0	112.3	Y100 I111 L292 I295 T296 P299 R356	Y100-L302 HydrophobicContact CD1-CD1 4.32Å; Y100-L302 HydrophobicContact CE1-CD1 3.82Å; Y100-L302 HydrophobicContact CE1-CD2 4.37Å; Y100-L302 HydrophobicContact CE2-CD2 4.22Å; I111-L302 HydrophobicContact CD1-CD1 3.51Å; I111-L302 HydrophobicContact CG1-CD1 3.86Å; L292-L302 HydrophobicContact CB-CD2 4.49Å; L292-L302 HydrophobicContact CD1-CD1 4.37Å; L292-L302 HydrophobicContact CD2-CD1 4.28Å; I295-L302 HydrophobicContact CD1-CD2 4.45Å; T296-L302 PolarHBondContact OG1-N 3.08Å; P299-L302 HydrophobicContact CB-CD1 4.37Å; P299-L302 WeakPolarHBondContact O-CG 3.48Å; P299-L302 PolarHBondContact O-N 2.84Å; L302-R356 CarbonylContact O-C 3.53Å; L302-R356 VanDerWaalsContact O-CB 3.29Å; L302-R356 WeakPolarHBondContact O-CB 3.27Å
303	G	98.7	Very high	98.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.051	C	C	.	.	B	Isolated β-bridge	trans	87.7	-119.2	178.7	0	0	0	0	0	111.5	H124 L292 F294 T305	H124-G303 WeakPolarHBondContact CE1-CA 3.37Å; H124-G303 WeakPolarHBondContact NE2-CA 3.49Å; L292-G303 VanDerWaalsContact O-CA 3.23Å; L292-G303 WeakPolarHBondContact O-CA 3.45Å; L292-G303 PolarHBondContact O-N 3.28Å; F294-G303 WeakPolarHBondContact CD2-O 3.39Å; F294-G303 PolarHBondContact N-O 3.33Å; G303-T305 PolarHBondContact O-N 3.31Å
304	T	98.7	Very high	98.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-26.4	175.8	55	0	0	0	0	112.5	H124 L154 L306 R356 L359 T360 E361 A364	H124-T304 PolarHBondContact CE1-N 2.92Å; H124-T304 VanDerWaalsContact CE1-N 3.28Å; H124-T304 PolarHBondContact NE2-N 3.24Å; L154-T304 WeakPolarHBondContact CD2-O 3.31Å; T304-L306 PolarHBondContact O-N 2.94Å; T304-L306 PolarHBondContact OG1-N 2.93Å; T304-L306 VanDerWaalsContact OG1-N 3.17Å; T304-R356 WeakPolarHBondContact CG2-O 3.2Å; T304-R356 PolarHBondContact N-O 3.42Å; T304-R356 PolarHBondContact OG1-O 3.31Å; T304-L359 HydrophobicContact CG2-CD1 3.76Å; T304-L359 WeakPolarHBondContact CG2-O 3.34Å; T304-T360 VanDerWaalsContact CG2-C 3.48Å; T304-E361 HydrophobicContact CG2-CG 4.06Å; T304-A364 HydrophobicContact CG2-CB 4.46Å
305	T	98.6	Very high	98.2	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.012	7%	0.067	C	C	.	.			trans	60.6	1.8	-164.8	82.6	0	0	0	0	114.4	L154 G155 R156 F294 T296 N301 G303 R307	L154-T305 WeakPolarHBondContact CA-OG1 3.26Å; L154-T305 WeakPolarHBondContact CD2-OG1 3.37Å; G155-T305 PolarHBondContact N-OG1 2.83Å; G155-T305 VanDerWaalsContact O-CG2 3.27Å; G155-T305 WeakPolarHBondContact O-CG2 3.31Å; G155-T305 PolarHBondContact O-OG1 3.07Å; R156-T305 PolarHBondContact NH1-OG1 3.47Å; F294-T305 HydrophobicContact CB-CG2 3.7Å; T296-T305 HydrophobicContact CG2-CG2 3.58Å; N301-T305 WeakPolarHBondContact O-CA 3.39Å; N301-T305 WeakPolarHBondContact O-CB 3.3Å; N301-T305 VanDerWaalsContact O-CG2 3.24Å; N301-T305 WeakPolarHBondContact O-CG2 3.49Å; G303-T305 PolarHBondContact O-N 3.31Å; T305-R307 PolarHBondContact O-N 3.47Å
306	L	98.6	Very high	98.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.			trans	-81	120.3	-165.8	-169.6	148	0	0	0	110.9	V152 R153 L154 Y270 T304 A308 N353 R356 E361 A364	V152-L306 HydrophobicContact CG1-CD1 4.08Å; V152-L306 HydrophobicContact CG1-CD2 4.09Å; V152-L306 HydrophobicContact CG1-CG 3.95Å; R153-L306 WeakPolarHBondContact O-CA 3.44Å; L154-L306 HydrophobicContact CD2-CB 3.69Å; L154-L306 HydrophobicContact CD2-CD1 4.11Å; L154-L306 HydrophobicContact CD2-CG 4.09Å; Y270-L306 HydrophobicContact CD2-CD1 4.47Å; Y270-L306 HydrophobicContact CE2-CD1 3.79Å; T304-L306 PolarHBondContact O-N 2.94Å; T304-L306 PolarHBondContact OG1-N 2.93Å; T304-L306 VanDerWaalsContact OG1-N 3.17Å; L306-A308 HydrophobicContact CD2-CB 3.82Å; L306-N353 PolarHBondContact O-ND2 2.86Å; L306-R356 WeakPolarHBondContact O-CD 3.47Å; L306-R356 VanDerWaalsContact O-CZ 3.26Å; L306-R356 PolarHBondContact O-NE 3.3Å; L306-R356 VanDerWaalsContact O-NE 3.1Å; L306-R356 PolarHBondContact O-NH1 3.26Å; L306-E361 HydrophobicContact CD1-CB 3.92Å; L306-E361 HydrophobicContact CD1-CG 4.19Å; L306-A364 HydrophobicContact CB-CB 4.33Å; L306-A364 HydrophobicContact CD2-CB 3.85Å
307	R	98.2	Very high	98.1	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.011	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	100.7	164.5	177.6	-173	177	84.9	-3.5	108	V152 R153 T305 R335 D350 S352	V152-R307 WeakPolarHBondContact CA-O 3.38Å; R153-R307 HydrophobicContact CG-CB 3.79Å; R153-R307 PolarHBondContact N-O 2.7Å; R153-R307 PolarHBondContact O-N 2.98Å; T305-R307 PolarHBondContact O-N 3.47Å; R307-R335 VanDerWaalsContact CZ-CZ 3.45Å; R307-R335 VanDerWaalsContact NH2-CD 3.33Å; R307-D350 IonicContact CZ-OD1 2.79Å; R307-D350 IonicContact CZ-OD2 2.65Å; R307-D350 IonicContact NE-OD2 2.92Å; R307-D350 IonicContact NH2-OD1 2.77Å; R307-D350 PolarHBondContact NH2-OD1 2.9Å; R307-D350 IonicContact NH2-OD2 2.58Å; R307-D350 PolarHBondContact NH2-OD2 3.18Å; R307-S352 VanDerWaalsContact CZ-OG 3.29Å; R307-S352 PolarHBondContact NH1-OG 2.89Å
308	A	98.5	Very high	98	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	133.3	162.5	0	0	0	0	0	107.7	R151 V152 L266 L306 S352 N353 V365 M368	R151-A308 CarbonylContact O-C 3.4Å; V152-A308 HydrophobicContact CG1-CB 4.16Å; V152-A308 HydrophobicContact CG2-CB 3.88Å; L266-A308 HydrophobicContact CD1-CB 4.47Å; L306-A308 HydrophobicContact CD2-CB 3.82Å; A308-S352 WeakPolarHBondContact O-CA 3.29Å; A308-S352 WeakPolarHBondContact O-CB 3.45Å; A308-N353 PolarHBondContact N-OD1 2.94Å; A308-N353 PolarHBondContact O-N 2.81Å; A308-N353 PolarHBondContact O-OD1 3.48Å; A308-V365 HydrophobicContact CB-CG2 4.26Å; A308-M368 HydrophobicContact CB-CB 3.93Å; A308-M368 HydrophobicContact CB-CE 4.08Å; A308-M368 HydrophobicContact CB-CG 3.67Å; A308-M368 HydrophobicContact CB-SD 4.2Å; A308-M368 WeakPolarHBondContact O-CG 3.41Å
309	S	98.2	Very high	97.9	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.014	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	151.5	-176.9	52.4	0	0	0	0	112.6	R151 D350 L351 M368	R151-S309 PolarHBondContact N-O 3.37Å; R151-S309 PolarHBondContact O-N 2.94Å; R151-S309 VanDerWaalsContact O-O 3.09Å; R151-S309 PolarHBondContact O-OG 3.21Å; S309-D350 WeakPolarHBondContact CB-OD1 3.5Å; S309-L351 CarbonylContact C-O 3.46Å; S309-L351 WeakPolarHBondContact CA-O 3.35Å; S309-M368 VanDerWaalsContact CA-CE 3.49Å
310	V	98.1	Very high	97.9	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.8	163.1	-63.9	0	0	0	0	110.7	L140 V147 S149 T150 A312 D350 L351 M368 V372	L140-V310 HydrophobicContact CD1-CG1 3.49Å; L140-V310 VanDerWaalsContact CD1-CG1 3.49Å; V147-V310 HydrophobicContact CG1-CB 3.85Å; V147-V310 HydrophobicContact CG1-CG1 3.86Å; V147-V310 HydrophobicContact CG2-CB 4.37Å; V147-V310 HydrophobicContact CG2-CG1 4.36Å; V147-V310 HydrophobicContact CG2-CG2 4.49Å; S149-V310 WeakPolarHBondContact O-CA 3.36Å; T150-V310 HydrophobicContact CG2-CG1 4.16Å; V310-A312 HydrophobicContact CG2-CB 4.03Å; V310-D350 VanDerWaalsContact O-CA 3.3Å; V310-D350 WeakPolarHBondContact O-CA 3.43Å; V310-L351 HydrophobicContact CG2-CB 4.03Å; V310-L351 PolarHBondContact N-O 3.08Å; V310-L351 PolarHBondContact O-N 2.97Å; V310-M368 HydrophobicContact CG1-CE 3.73Å; V310-V372 HydrophobicContact CG2-CG1 3.6Å; V310-V372 HydrophobicContact CG2-CG2 4.27Å
311	H	96.7	Very high	97.9	Very high	41 Å²	41	19.3 Å²	19.3	19%	0.19	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	113.1	158.5	-72.7	-171.1	0	0	0	107.9	V148 S149 E340 I348 Y349	V148-H311 HydrophobicContact CB-CB 4.29Å; V148-H311 PolarHBondContact N-O 3.28Å; S149-H311 PolarHBondContact O-N 2.77Å; H311-E340 IonicContact CE1-OE2 2.88Å; H311-E340 PolarHBondContact CE1-OE2 2.98Å; H311-I348 HydrophobicContact CB-CG2 4.17Å; H311-Y349 WeakPolarHBondContact CA-O 3.5Å
312	A	97.4	Very high	97.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.9	-174.8	0	0	0	0	0	112.2	L146 V147 V310 I314 I348 Y349 L351 L376	L146-A312 WeakPolarHBondContact O-CA 3.27Å; V147-A312 HydrophobicContact CG2-CB 4.48Å; V310-A312 HydrophobicContact CG2-CB 4.03Å; A312-I314 HydrophobicContact CB-CG2 4.25Å; A312-I314 PolarHBondContact O-N 3.27Å; A312-I348 WeakPolarHBondContact O-CA 3.29Å; A312-Y349 PolarHBondContact N-O 2.77Å; A312-Y349 PolarHBondContact O-N 3.34Å; A312-L351 HydrophobicContact CB-CD1 4.27Å; A312-L376 HydrophobicContact CB-CD2 3.81Å
313	K	97.5	Very high	97.8	Very high	108 Å²	108	19.3 Å²	19.3	47%	0.47	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	98.9	173.6	-62.9	169.1	-175.9	175.9	0	109.2	L146 V148 I348	L146-K313 PolarHBondContact O-N 2.93Å; V148-K313 HydrophobicContact CG2-CG 4.37Å; K313-I348 HydrophobicContact CG-CD1 4.28Å; K313-I348 HydrophobicContact CG-CG1 3.93Å
314	I	97.9	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.			trans	-130.1	50.6	-178	54.8	152.9	0	0	0	112.6	A312 M316 L317 A318 F323 G347 Y349 L351 L376 E379	A312-I314 HydrophobicContact CB-CG2 4.25Å; A312-I314 PolarHBondContact O-N 3.27Å; I314-M316 PolarHBondContact O-N 3.47Å; I314-L317 HydrophobicContact CB-CB 4.28Å; I314-L317 HydrophobicContact CB-CD2 4.41Å; I314-L317 HydrophobicContact CD1-CD2 4.01Å; I314-L317 HydrophobicContact CD1-CG 4.37Å; I314-A318 WeakPolarHBondContact O-CB 3.36Å; I314-A318 PolarHBondContact O-N 3.11Å; I314-F323 HydrophobicContact CD1-CE2 3.64Å; I314-F323 HydrophobicContact CD1-CZ 3.74Å; I314-G347 PolarHBondContact N-O 3.19Å; I314-Y349 HydrophobicContact CD1-CD2 4.2Å; I314-Y349 HydrophobicContact CD1-CG 4.26Å; I314-Y349 HydrophobicContact CG1-CD2 3.96Å; I314-Y349 HydrophobicContact CG1-CG 4.38Å; I314-L351 HydrophobicContact CD1-CD1 4.06Å; I314-L351 HydrophobicContact CD1-CD2 3.96Å; I314-L351 HydrophobicContact CD1-CG 4.4Å; I314-L376 HydrophobicContact CG2-CD2 3.95Å; I314-E379 HydrophobicContact CB-CB 4.47Å; I314-E379 HydrophobicContact CB-CG 4.29Å; I314-E379 HydrophobicContact CG2-CB 4.01Å; I314-E379 HydrophobicContact CG2-CG 4.07Å
315	P	96.5	Very high	97.7	Very high	62 Å²	62	27.7 Å²	27.7	40%	0.403	15%	0.145	S	C	.	.	H	α-helix	trans	-59.8	-38.7	-172.3	25	-35.6	0	0	0	113.9	S319 E379	P315-S319 PolarHBondContact O-N 3.06Å; P315-E379 VanDerWaalsContact CD-OE1 3.25Å; P315-E379 WeakPolarHBondContact CD-OE1 3.35Å
316	M	97.3	Very high	97.7	Very high	56 Å²	56	27.8 Å²	27.8	28%	0.276	15%	0.146	S	C	.	.	H	α-helix	trans	-73.6	-47.3	-177.8	-67.8	-162.9	-179.8	0	0	111.4	I314 A318 S319 L320 E379 L382 Q383 N386	I314-M316 PolarHBondContact O-N 3.47Å; M316-A318 VanDerWaalsContact C-N 3.29Å; M316-A318 PolarHBondContact O-N 3.22Å; M316-S319 WeakPolarHBondContact O-CB 3.34Å; M316-S319 PolarHBondContact O-N 3.43Å; M316-S319 PolarHBondContact O-OG 2.97Å; M316-L320 PolarHBondContact O-N 2.95Å; M316-E379 PolarHBondContact N-OE1 3.04Å; M316-E379 PolarHBondContact N-OE2 3.46Å; M316-L382 HydrophobicContact CB-CB 3.96Å; M316-L382 HydrophobicContact CB-CD1 4.31Å; M316-L382 HydrophobicContact SD-CB 4.18Å; M316-Q383 HydrophobicContact CE-CG 4.23Å; M316-Q383 HydrophobicContact CG-CG 4.38Å; M316-Q383 VanDerWaalsContact SD-CA 3.59Å; M316-Q383 HydrophobicContact SD-CB 4.38Å; M316-Q383 HydrophobicContact SD-CG 3.96Å; M316-N386 HydrophobicContact SD-CB 4.37Å
317	L	98.3	Very high	97.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.5	-42.2	175.1	171.5	59.3	0	0	0	111.4	I314 S319 L320 F323 I326 L375 L378 E379 L382	I314-L317 HydrophobicContact CB-CB 4.28Å; I314-L317 HydrophobicContact CB-CD2 4.41Å; I314-L317 HydrophobicContact CD1-CD2 4.01Å; I314-L317 HydrophobicContact CD1-CG 4.37Å; L317-S319 PolarHBondContact O-N 2.55Å; L317-L320 HydrophobicContact CD1-CD1 3.96Å; L317-L320 WeakPolarHBondContact O-CB 3.23Å; L317-L320 PolarHBondContact O-N 3.3Å; L317-F323 HydrophobicContact CD1-CD2 4.09Å; L317-F323 HydrophobicContact CD2-CE2 4.29Å; L317-F323 HydrophobicContact CG-CD2 3.82Å; L317-F323 HydrophobicContact CG-CE2 3.89Å; L317-F323 WeakPolarHBondContact O-CD2 3.36Å; L317-I326 HydrophobicContact CD1-CG2 4.22Å; L317-L375 HydrophobicContact CD2-CB 3.82Å; L317-L375 HydrophobicContact CD2-CD2 4Å; L317-L375 HydrophobicContact CD2-CG 4.39Å; L317-L378 HydrophobicContact CD1-CD2 3.93Å; L317-E379 VanDerWaalsContact CB-OE2 3.24Å; L317-E379 WeakPolarHBondContact CB-OE2 3.48Å; L317-E379 PolarHBondContact N-OE2 3.15Å; L317-L382 HydrophobicContact CB-CD1 3.92Å
318	A	97.3	Very high	97.5	Very high	18 Å²	18	32.1 Å²	32.1	15%	0.149	17%	0.166	C	C	.	.	H	α-helix	trans	-64.9	-23.3	177.3	0	0	0	0	0	113.9	I314 M316 F323 Y349	I314-A318 WeakPolarHBondContact O-CB 3.36Å; I314-A318 PolarHBondContact O-N 3.11Å; M316-A318 VanDerWaalsContact C-N 3.29Å; M316-A318 PolarHBondContact O-N 3.22Å; A318-F323 HydrophobicContact CB-CE1 4.39Å; A318-F323 HydrophobicContact CB-CZ 4.41Å; A318-Y349 HydrophobicContact CB-CD2 3.87Å; A318-Y349 HydrophobicContact CB-CE2 3.19Å
319	S	96.9	Very high	97.4	Very high	60 Å²	60	39.2 Å²	39.2	42%	0.42	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.3	177.3	78.5	0	0	0	0	113.9	P315 M316 L317 P395	P315-S319 PolarHBondContact O-N 3.06Å; M316-S319 WeakPolarHBondContact O-CB 3.34Å; M316-S319 PolarHBondContact O-N 3.43Å; M316-S319 PolarHBondContact O-OG 2.97Å; L317-S319 PolarHBondContact O-N 2.55Å; S319-P395 VanDerWaalsContact OG-CG 3.29Å; S319-P395 WeakPolarHBondContact OG-CG 3.5Å
320	L	98.3	Very high	97.4	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	21%	0.208	C	C	.	.	S	Bend	trans	-68	140.8	-179.9	-67.5	178.3	0	0	0	111.4	M316 L317 N322 F323 I326 L382 M394 P395 E397	M316-L320 PolarHBondContact O-N 2.95Å; L317-L320 HydrophobicContact CD1-CD1 3.96Å; L317-L320 WeakPolarHBondContact O-CB 3.23Å; L317-L320 PolarHBondContact O-N 3.3Å; L320-N322 PolarHBondContact O-N 2.92Å; L320-N322 VanDerWaalsContact O-N 3.08Å; L320-F323 WeakPolarHBondContact O-CB 3.46Å; L320-F323 PolarHBondContact O-N 2.9Å; L320-F323 VanDerWaalsContact O-N 3.08Å; L320-I326 HydrophobicContact CD1-CD1 3.9Å; L320-L382 HydrophobicContact CD1-CD1 3.9Å; L320-L382 HydrophobicContact CD1-CD2 4.46Å; L320-L382 HydrophobicContact CD2-CD2 4.49Å; L320-M394 HydrophobicContact CD2-CE 4.29Å; L320-P395 HydrophobicContact CD2-CG 4.47Å; L320-P395 WeakPolarHBondContact CD2-O 3.33Å; L320-E397 HydrophobicContact CD1-CG 4.48Å; L320-E397 VanDerWaalsContact CD1-OE1 3.25Å; L320-E397 WeakPolarHBondContact CD1-OE1 3.35Å
321	P	97.4	Very high	97.4	Very high	32 Å²	32	42.3 Å²	42.3	21%	0.208	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.1	-174.5	-26.6	33.2	0	0	0	115.4	M394 R586 R592	P321-M394 VanDerWaalsContact CD-CE 3.47Å; P321-M394 HydrophobicContact CG-CE 3.73Å; P321-M394 HydrophobicContact CG-SD 4.16Å; P321-R586 HydrophobicContact CB-CG 3.8Å; P321-R586 WeakPolarHBondContact CB-O 3.3Å; P321-R586 VanDerWaalsContact CG-O 3.29Å; P321-R586 WeakPolarHBondContact CG-O 3.41Å; P321-R592 HydrophobicContact CG-CG 4.23Å
322	N	97.8	Very high	97.5	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	31.4	-179.4	59.3	-18.6	0	0	0	112.8	L320 K324 E325 I326 R444 Y448 D587	L320-N322 PolarHBondContact O-N 2.92Å; L320-N322 VanDerWaalsContact O-N 3.08Å; N322-K324 PolarHBondContact O-N 3.31Å; N322-E325 VanDerWaalsContact C-OE2 3.3Å; N322-E325 WeakPolarHBondContact CA-OE2 3.18Å; N322-E325 HydrophobicContact CB-CB 4.29Å; N322-E325 PolarHBondContact O-N 2.61Å; N322-E325 VanDerWaalsContact O-N 3.12Å; N322-I326 WeakPolarHBondContact O-CG1 3.49Å; N322-I326 PolarHBondContact O-N 3.14Å; N322-I326 WeakPolarHBondContact OD1-CD1 3.04Å; N322-R444 PolarHBondContact OD1-NH1 3.37Å; N322-R444 PolarHBondContact OD1-NH2 3.08Å; N322-Y448 VanDerWaalsContact ND2-CD1 3.27Å; N322-Y448 WeakPolarHBondContact ND2-CD1 3.17Å; N322-Y448 VanDerWaalsContact ND2-CG 3.31Å; N322-D587 WeakPolarHBondContact CB-OD1 3.29Å; N322-D587 PolarHBondContact ND2-OD1 3.19Å; N322-D587 PolarHBondContact ND2-OD2 3.32Å
323	F	97.9	Very high	97.4	Very high	11 Å²	11	43.9 Å²	43.9	5%	0.048	22%	0.221	C	C	.	.	H	α-helix	trans	-49.7	-42.3	179.3	167.1	-124.1	0	0	0	112.9	I314 L317 A318 L320 C327 P334 Y349 L351	I314-F323 HydrophobicContact CD1-CE2 3.64Å; I314-F323 HydrophobicContact CD1-CZ 3.74Å; L317-F323 HydrophobicContact CD1-CD2 4.09Å; L317-F323 HydrophobicContact CD2-CE2 4.29Å; L317-F323 HydrophobicContact CG-CD2 3.82Å; L317-F323 HydrophobicContact CG-CE2 3.89Å; L317-F323 WeakPolarHBondContact O-CD2 3.36Å; A318-F323 HydrophobicContact CB-CE1 4.39Å; A318-F323 HydrophobicContact CB-CZ 4.41Å; L320-F323 WeakPolarHBondContact O-CB 3.46Å; L320-F323 PolarHBondContact O-N 2.9Å; L320-F323 VanDerWaalsContact O-N 3.08Å; F323-C327 WeakPolarHBondContact CE2-SG 3.32Å; F323-C327 PolarHBondContact O-N 3.31Å; F323-C327 PolarHBondContact O-SG 3.46Å; F323-P334 HydrophobicContact CE1-CB 3.69Å; F323-P334 HydrophobicContact CE1-CG 3.95Å; F323-P334 HydrophobicContact CE2-CB 4.43Å; F323-P334 HydrophobicContact CZ-CB 3.5Å; F323-P334 VanDerWaalsContact CZ-CB 3.5Å; F323-P334 HydrophobicContact CZ-CG 4.04Å; F323-Y349 AromaticContact CE1-CD1 3.82Å; F323-Y349 HydrophobicContact CE1-CD1 3.82Å; F323-Y349 AromaticContact CE1-CE1 3.65Å; F323-Y349 HydrophobicContact CE1-CE1 3.65Å; F323-Y349 HydrophobicContact CE1-CG 4.45Å; F323-Y349 AromaticContact CZ-CD1 3.98Å; F323-Y349 HydrophobicContact CZ-CD1 3.98Å; F323-Y349 HydrophobicContact CZ-CE1 4.23Å; F323-Y349 HydrophobicContact CZ-CG 4.21Å; F323-L351 HydrophobicContact CZ-CD2 4.5Å
324	K	96.3	Very high	97.4	Very high	100 Å²	100	38.9 Å²	38.9	44%	0.435	20%	0.2	S	C	.	.	H	α-helix	trans	-65.7	-44.1	-179.6	-64.3	-58.1	-167.5	-179.1	0	111.6	N322 C327 E328 P334	N322-K324 PolarHBondContact O-N 3.31Å; K324-C327 PolarHBondContact O-N 3.08Å; K324-E328 WeakPolarHBondContact O-CB 3.29Å; K324-E328 PolarHBondContact O-N 2.81Å; K324-P334 HydrophobicContact CD-CG 3.5Å; K324-P334 VanDerWaalsContact CD-CG 3.5Å; K324-P334 PolarHBondContact NZ-O 3.29Å; K324-P334 VanDerWaalsContact NZ-O 3.08Å
325	E	97.4	Very high	97.1	Very high	77 Å²	77	44.2 Å²	44.2	36%	0.36	22%	0.22	S	C	.	.	H	α-helix	trans	-69.7	-38	178.9	-64.7	80.5	172.7	0	0	111.9	N322 C327 E328 K329 R586	N322-E325 VanDerWaalsContact C-OE2 3.3Å; N322-E325 WeakPolarHBondContact CA-OE2 3.18Å; N322-E325 HydrophobicContact CB-CB 4.29Å; N322-E325 PolarHBondContact O-N 2.61Å; N322-E325 VanDerWaalsContact O-N 3.12Å; E325-C327 VanDerWaalsContact C-N 3.33Å; E325-E328 PolarHBondContact O-N 3.05Å; E325-K329 WeakPolarHBondContact O-CB 3.49Å; E325-K329 PolarHBondContact O-N 3.14Å; E325-R586 IonicContact OE1-CZ 3.46Å; E325-R586 IonicContact OE1-NH1 3.72Å; E325-R586 PolarHBondContact OE1-NH1 3.3Å; E325-R586 IonicContact OE2-NH1 2.74Å
326	I	98.3	Very high	96.6	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-59.1	-47.4	172.6	-69.1	169.9	0	0	0	109.7	L317 L320 N322 K329 H330 L375 L378 Y448	L317-I326 HydrophobicContact CD1-CG2 4.22Å; L320-I326 HydrophobicContact CD1-CD1 3.9Å; N322-I326 WeakPolarHBondContact O-CG1 3.49Å; N322-I326 PolarHBondContact O-N 3.14Å; N322-I326 WeakPolarHBondContact OD1-CD1 3.04Å; I326-K329 PolarHBondContact O-N 2.9Å; I326-H330 PolarHBondContact O-N 3.37Å; I326-H330 PolarHBondContact O-ND1 3.03Å; I326-L375 HydrophobicContact CG2-CD2 3.81Å; I326-L378 HydrophobicContact CG2-CD2 4.18Å; I326-Y448 HydrophobicContact CD1-CE1 4.12Å; I326-Y448 HydrophobicContact CG1-CE1 3.79Å
327	C	98.2	Very high	95.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-47.2	176.2	-66.6	0	0	0	0	111.7	F323 K324 E325 K329 H330 G331 I332 P334 L375	F323-C327 WeakPolarHBondContact CE2-SG 3.32Å; F323-C327 PolarHBondContact O-N 3.31Å; F323-C327 PolarHBondContact O-SG 3.46Å; K324-C327 PolarHBondContact O-N 3.08Å; E325-C327 VanDerWaalsContact C-N 3.33Å; C327-K329 VanDerWaalsContact C-N 3.32Å; C327-K329 PolarHBondContact O-N 3.08Å; C327-H330 CarbonylContact O-C 3.58Å; C327-H330 WeakPolarHBondContact O-CA 3.42Å; C327-H330 PolarHBondContact O-N 2.87Å; C327-G331 PolarHBondContact O-N 2.91Å; C327-I332 CarbonylContact C-O 3.59Å; C327-I332 HydrophobicContact CB-CB 4.19Å; C327-I332 HydrophobicContact CB-CG2 4.34Å; C327-I332 WeakPolarHBondContact CB-O 3.04Å; C327-I332 WeakPolarHBondContact O-CA 3.46Å; C327-I332 PolarHBondContact O-N 3.35Å; C327-P334 HydrophobicContact CB-CG 3.8Å; C327-L375 HydrophobicContact CB-CD1 4.37Å
328	E	96.5	Very high	94.2	Very high	93 Å²	93	51 Å²	51	44%	0.435	26%	0.26	S	S	.	.	H	α-helix	trans	-60	-41.1	-179.2	178.2	169.8	-161.7	0	0	112.2	K324 E325 H330 G331 I332 K354	K324-E328 WeakPolarHBondContact O-CB 3.29Å; K324-E328 PolarHBondContact O-N 2.81Å; E325-E328 PolarHBondContact O-N 3.05Å; E328-H330 PolarHBondContact O-N 2.9Å; E328-G331 PolarHBondContact O-N 2.83Å; E328-I332 PolarHBondContact N-O 2.85Å; E328-K354 HydrophobicContact CG-CD 4.32Å; E328-K354 IonicContact OE1-NZ 2.73Å; E328-K354 PolarHBondContact OE1-NZ 3.31Å
329	K	96.3	Very high	92.3	Very high	150 Å²	150	53.6 Å²	53.6	65%	0.652	29%	0.289	S	S	*	.	H	α-helix	trans	-62.7	-26.4	176.4	-170.9	173.1	-178.9	177.9	0	112.7	E325 I326 C327	E325-K329 WeakPolarHBondContact O-CB 3.49Å; E325-K329 PolarHBondContact O-N 3.14Å; I326-K329 PolarHBondContact O-N 2.9Å; C327-K329 VanDerWaalsContact C-N 3.32Å; C327-K329 PolarHBondContact O-N 3.08Å
330	H	97.6	Very high	90.5	Very high	56 Å²	56	55.3 Å²	55.3	26%	0.259	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	10.9	174	-66.8	89.4	0	0	0	113.3	I326 C327 E328 I332 G371	I326-H330 PolarHBondContact O-N 3.37Å; I326-H330 PolarHBondContact O-ND1 3.03Å; C327-H330 CarbonylContact O-C 3.58Å; C327-H330 WeakPolarHBondContact O-CA 3.42Å; C327-H330 PolarHBondContact O-N 2.87Å; E328-H330 PolarHBondContact O-N 2.9Å; H330-I332 VanDerWaalsContact C-N 3.28Å; H330-I332 HydrophobicContact CB-CG1 4.46Å; H330-I332 PolarHBondContact O-N 2.72Å; H330-G371 WeakPolarHBondContact O-CA 3.42Å
331	G	97.4	Very high	88.5	Confident	12 Å²	12	58.2 Å²	58.2	12%	0.124	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	14.4	-179.6	0	0	0	0	0	114.3	C327 E328 K354 E367	C327-G331 PolarHBondContact O-N 2.91Å; E328-G331 PolarHBondContact O-N 2.83Å; G331-K354 WeakPolarHBondContact O-CB 3.38Å; G331-K354 PolarHBondContact O-N 3.17Å; G331-E367 WeakPolarHBondContact CA-OE1 3.4Å
332	I	98.4	Very high	86	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	139.5	-173.9	-58.6	-54	0	0	0	111.8	C327 E328 H330 L351 S352 V372 L375	C327-I332 CarbonylContact C-O 3.59Å; C327-I332 HydrophobicContact CB-CB 4.19Å; C327-I332 HydrophobicContact CB-CG2 4.34Å; C327-I332 WeakPolarHBondContact CB-O 3.04Å; C327-I332 WeakPolarHBondContact O-CA 3.46Å; C327-I332 PolarHBondContact O-N 3.35Å; E328-I332 PolarHBondContact N-O 2.85Å; H330-I332 VanDerWaalsContact C-N 3.28Å; H330-I332 HydrophobicContact CB-CG1 4.46Å; H330-I332 PolarHBondContact O-N 2.72Å; I332-L351 HydrophobicContact CG2-CB 3.93Å; I332-L351 HydrophobicContact CG2-CD2 4.21Å; I332-S352 CarbonylContact C-O 3.54Å; I332-S352 VanDerWaalsContact CA-O 3.29Å; I332-S352 WeakPolarHBondContact CA-O 3.38Å; I332-V372 HydrophobicContact CD1-CG2 3.92Å; I332-V372 HydrophobicContact CG1-CG2 4.45Å; I332-L375 HydrophobicContact CB-CD1 3.88Å; I332-L375 HydrophobicContact CG1-CD1 3.91Å; I332-L375 HydrophobicContact CG2-CD1 3.78Å
333	Q	96.6	Very high	83.5	Confident	73 Å²	73	71.3 Å²	71.3	34%	0.341	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	113.3	169.8	179.7	64.1	59	0	0	109.8	S352 K354	Q333-S352 PolarHBondContact N-O 3.19Å; Q333-S352 PolarHBondContact O-N 2.81Å; Q333-S352 PolarHBondContact O-OG 3.49Å; Q333-K354 HydrophobicContact CB-CB 4.23Å
334	P	96.1	Very high	80.9	Confident	3 Å²	3	76.3 Å²	76.3	2%	0.019	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	138.3	175.8	33	-33.5	0	0	0	111.9	F323 K324 C327 D350 L351	F323-P334 HydrophobicContact CE1-CB 3.69Å; F323-P334 HydrophobicContact CE1-CG 3.95Å; F323-P334 HydrophobicContact CE2-CB 4.43Å; F323-P334 HydrophobicContact CZ-CB 3.5Å; F323-P334 VanDerWaalsContact CZ-CB 3.5Å; F323-P334 HydrophobicContact CZ-CG 4.04Å; K324-P334 HydrophobicContact CD-CG 3.5Å; K324-P334 VanDerWaalsContact CD-CG 3.5Å; K324-P334 PolarHBondContact NZ-O 3.29Å; K324-P334 VanDerWaalsContact NZ-O 3.08Å; C327-P334 HydrophobicContact CB-CG 3.8Å; P334-D350 CarbonylContact C-O 3.53Å; P334-D350 WeakPolarHBondContact CA-O 3.49Å; P334-L351 HydrophobicContact CB-CD2 3.84Å
335	R	92	Very high	79.1	Confident	112 Å²	112	74.9 Å²	74.9	42%	0.423	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.5	170.5	-58	-174.9	-177.1	169.5	-7.6	110	R307 Y349 D350	R307-R335 VanDerWaalsContact CZ-CZ 3.45Å; R307-R335 VanDerWaalsContact NH2-CD 3.33Å; R335-Y349 WeakPolarHBondContact O-CA 3.45Å; R335-Y349 WeakPolarHBondContact O-CD1 3.4Å; R335-D350 HydrophobicContact CB-CB 4.28Å; R335-D350 PolarHBondContact N-O 3.45Å; R335-D350 PolarHBondContact O-N 2.97Å
336	G	86	Confident	78.1	Confident	52 Å²	52	74.2 Å²	74.2	54%	0.536	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	151.4	174.1	0	0	0	0	0	110.8
337	T	79.2	Confident	77.5	Confident	13 Å²	13	74.8 Å²	74.8	8%	0.08	43%	0.425	C	S	.	.			trans	-103.2	25.2	176.9	56.7	0	0	0	0	111.6	G339 E340 H341 I348	T337-G339 PolarHBondContact O-N 3.26Å; T337-E340 WeakPolarHBondContact O-CB 3.21Å; T337-E340 PolarHBondContact O-N 2.76Å; T337-H341 PolarHBondContact OG1-CD2 2.88Å; T337-I348 HydrophobicContact CG2-CG2 4.24Å; T337-I348 PolarHBondContact OG1-O 2.85Å
338	H	67.1	Low	77.3	Confident	196 Å²	196	75.4 Å²	75.4	91%	0.907	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	126.5	-174.8	-168.6	74.9	0	0	0	110.6
339	G	57.6	Low	77.3	Confident	72 Å²	72	73.6 Å²	73.6	74%	0.742	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.5	-13.9	-172.8	0	0	0	0	0	115.1	T337	T337-G339 PolarHBondContact O-N 3.26Å
340	E	58	Low	77.3	Confident	96 Å²	96	67.5 Å²	67.5	45%	0.449	39%	0.392	S	S	.	.	S	Bend	trans	-89.5	-10.6	176	-60	-175.6	-174.8	0	0	113.3	H311 T337	H311-E340 IonicContact CE1-OE2 2.88Å; H311-E340 PolarHBondContact CE1-OE2 2.98Å; T337-E340 WeakPolarHBondContact O-CB 3.21Å; T337-E340 PolarHBondContact O-N 2.76Å
341	H	57.3	Low	77.3	Confident	67 Å²	67	64.8 Å²	64.8	31%	0.31	38%	0.38	S	S	.	.	S	Bend	trans	-131	157.3	-178.3	-58.1	-45.4	0	0	0	111	T337 V345	T337-H341 PolarHBondContact OG1-CD2 2.88Å; H341-V345 HydrophobicContact CB-CB 4.02Å; H341-V345 HydrophobicContact CB-CG1 4.28Å
342	T	44.7	Very low	77.3	Confident	104 Å²	104	64.2 Å²	64.2	64%	0.638	37%	0.374	S	S	*	.			trans	-57.7	149.1	173.1	54.5	0	0	0	0	110.6	S344 V345	T342-S344 PolarHBondContact O-N 3.45Å; T342-V345 PolarHBondContact O-N 3.12Å; T342-V345 WeakPolarHBondContact OG1-CG2 3.19Å
343	E	44.7	Very low	77.3	Confident	206 Å²	206	64.2 Å²	64.2	96%	0.963	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.5	-32.8	-175.8	-100.6	-179.1	149.1	0	0	115.2
344	S	43.4	Very low	77.3	Confident	116 Å²	116	63.7 Å²	63.7	81%	0.811	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-6.2	-177.2	-44.5	0	0	0	0	115.5	T342 G346	T342-S344 PolarHBondContact O-N 3.45Å; S344-G346 PolarHBondContact O-N 3.43Å
345	V	59.3	Low	77.4	Confident	70 Å²	70	69.2 Å²	69.2	42%	0.424	39%	0.391	S	S	.	.			trans	-103.7	75.9	-176.6	-175.9	0	0	0	0	109.7	H341 T342 I348	H341-V345 HydrophobicContact CB-CB 4.02Å; H341-V345 HydrophobicContact CB-CG1 4.28Å; T342-V345 PolarHBondContact O-N 3.12Å; T342-V345 WeakPolarHBondContact OG1-CG2 3.19Å; V345-I348 HydrophobicContact CG1-CD1 3.68Å; V345-I348 HydrophobicContact CG1-CG1 4.4Å
346	G	74.6	Confident	77.7	Confident	62 Å²	62	64.6 Å²	64.6	64%	0.639	37%	0.374	S	S	*	.			trans	-81.8	165.9	170.4	0	0	0	0	0	112.9	S344	S344-G346 PolarHBondContact O-N 3.43Å
347	G	87.1	Confident	78.3	Confident	17 Å²	17	62.7 Å²	62.7	18%	0.175	35%	0.351	C	S	.	.			trans	87.3	5.5	171.2	0	0	0	0	0	116.5	I314	I314-G347 PolarHBondContact N-O 3.19Å
348	I	94	Very high	79.2	Confident	13 Å²	13	63.9 Å²	63.9	7%	0.067	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.7	172.1	-58.7	178.2	0	0	0	110	V148 H311 A312 K313 T337 V345	V148-I348 HydrophobicContact CG2-CD1 4.49Å; H311-I348 HydrophobicContact CB-CG2 4.17Å; A312-I348 WeakPolarHBondContact O-CA 3.29Å; K313-I348 HydrophobicContact CG-CD1 4.28Å; K313-I348 HydrophobicContact CG-CG1 3.93Å; T337-I348 HydrophobicContact CG2-CG2 4.24Å; T337-I348 PolarHBondContact OG1-O 2.85Å; V345-I348 HydrophobicContact CG1-CD1 3.68Å; V345-I348 HydrophobicContact CG1-CG1 4.4Å
349	Y	95.9	Very high	80.7	Confident	55 Å²	55	54.8 Å²	54.8	22%	0.216	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.1	180	-75.7	-100.1	0	0	0	111.5	H311 A312 I314 A318 F323 R335	H311-Y349 WeakPolarHBondContact CA-O 3.5Å; A312-Y349 PolarHBondContact N-O 2.77Å; A312-Y349 PolarHBondContact O-N 3.34Å; I314-Y349 HydrophobicContact CD1-CD2 4.2Å; I314-Y349 HydrophobicContact CD1-CG 4.26Å; I314-Y349 HydrophobicContact CG1-CD2 3.96Å; I314-Y349 HydrophobicContact CG1-CG 4.38Å; A318-Y349 HydrophobicContact CB-CD2 3.87Å; A318-Y349 HydrophobicContact CB-CE2 3.19Å; F323-Y349 AromaticContact CE1-CD1 3.82Å; F323-Y349 HydrophobicContact CE1-CD1 3.82Å; F323-Y349 AromaticContact CE1-CE1 3.65Å; F323-Y349 HydrophobicContact CE1-CE1 3.65Å; F323-Y349 HydrophobicContact CE1-CG 4.45Å; F323-Y349 AromaticContact CZ-CD1 3.98Å; F323-Y349 HydrophobicContact CZ-CD1 3.98Å; F323-Y349 HydrophobicContact CZ-CE1 4.23Å; F323-Y349 HydrophobicContact CZ-CG 4.21Å; R335-Y349 WeakPolarHBondContact O-CA 3.45Å; R335-Y349 WeakPolarHBondContact O-CD1 3.4Å
350	D	96.3	Very high	82.7	Confident	21 Å²	21	52.1 Å²	52.1	11%	0.112	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	113.7	161.7	174.4	-36.9	0	0	0	108.1	R307 S309 V310 P334 R335	R307-D350 IonicContact CZ-OD1 2.79Å; R307-D350 IonicContact CZ-OD2 2.65Å; R307-D350 IonicContact NE-OD2 2.92Å; R307-D350 IonicContact NH2-OD1 2.77Å; R307-D350 PolarHBondContact NH2-OD1 2.9Å; R307-D350 IonicContact NH2-OD2 2.58Å; R307-D350 PolarHBondContact NH2-OD2 3.18Å; S309-D350 WeakPolarHBondContact CB-OD1 3.5Å; V310-D350 VanDerWaalsContact O-CA 3.3Å; V310-D350 WeakPolarHBondContact O-CA 3.43Å; P334-D350 CarbonylContact C-O 3.53Å; P334-D350 WeakPolarHBondContact CA-O 3.49Å; R335-D350 HydrophobicContact CB-CB 4.28Å; R335-D350 PolarHBondContact N-O 3.45Å; R335-D350 PolarHBondContact O-N 2.97Å
351	L	98	Very high	84.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.5	175.2	-56.9	-179.1	0	0	0	109.1	S309 V310 A312 I314 F323 I332 P334 V372 L375	S309-L351 CarbonylContact C-O 3.46Å; S309-L351 WeakPolarHBondContact CA-O 3.35Å; V310-L351 HydrophobicContact CG2-CB 4.03Å; V310-L351 PolarHBondContact N-O 3.08Å; V310-L351 PolarHBondContact O-N 2.97Å; A312-L351 HydrophobicContact CB-CD1 4.27Å; I314-L351 HydrophobicContact CD1-CD1 4.06Å; I314-L351 HydrophobicContact CD1-CD2 3.96Å; I314-L351 HydrophobicContact CD1-CG 4.4Å; F323-L351 HydrophobicContact CZ-CD2 4.5Å; I332-L351 HydrophobicContact CG2-CB 3.93Å; I332-L351 HydrophobicContact CG2-CD2 4.21Å; P334-L351 HydrophobicContact CB-CD2 3.84Å; L351-V372 HydrophobicContact CB-CG2 3.95Å; L351-L375 HydrophobicContact CD1-CD1 4.23Å
352	S	98.1	Very high	86.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.6	-175.2	60.5	0	0	0	0	112.8	R307 A308 I332 Q333 K354	R307-S352 VanDerWaalsContact CZ-OG 3.29Å; R307-S352 PolarHBondContact NH1-OG 2.89Å; A308-S352 WeakPolarHBondContact O-CA 3.29Å; A308-S352 WeakPolarHBondContact O-CB 3.45Å; I332-S352 CarbonylContact C-O 3.54Å; I332-S352 VanDerWaalsContact CA-O 3.29Å; I332-S352 WeakPolarHBondContact CA-O 3.38Å; Q333-S352 PolarHBondContact N-O 3.19Å; Q333-S352 PolarHBondContact O-N 2.81Å; Q333-S352 PolarHBondContact O-OG 3.49Å; S352-K354 PolarHBondContact O-N 3.28Å
353	N	98.4	Very high	89.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	137.7	166.9	52.9	-48.7	0	0	0	109.7	L306 A308 R355 R356 A364 M368	L306-N353 PolarHBondContact O-ND2 2.86Å; A308-N353 PolarHBondContact N-OD1 2.94Å; A308-N353 PolarHBondContact O-N 2.81Å; A308-N353 PolarHBondContact O-OD1 3.48Å; N353-R355 PolarHBondContact ND2-O 3.48Å; N353-R356 PolarHBondContact ND2-NH1 3.36Å; N353-R356 PolarHBondContact O-NH1 3.4Å; N353-R356 PolarHBondContact O-NH2 2.89Å; N353-R356 VanDerWaalsContact O-NH2 3.08Å; N353-A364 WeakPolarHBondContact CB-O 3.38Å; N353-M368 HydrophobicContact CB-CB 3.87Å
354	K	95.5	Very high	91.7	Very high	63 Å²	63	35 Å²	35	27%	0.274	21%	0.209	S	C	.	.			trans	-79.7	-41.9	176.3	-179.4	-175.6	170.9	-164.5	0	111.4	E328 G331 Q333 S352 R356	E328-K354 HydrophobicContact CG-CD 4.32Å; E328-K354 IonicContact OE1-NZ 2.73Å; E328-K354 PolarHBondContact OE1-NZ 3.31Å; G331-K354 WeakPolarHBondContact O-CB 3.38Å; G331-K354 PolarHBondContact O-N 3.17Å; Q333-K354 HydrophobicContact CB-CB 4.23Å; S352-K354 PolarHBondContact O-N 3.28Å; K354-R356 PolarHBondContact O-NH1 3.31Å
355	R	97.7	Very high	94.3	Very high	119 Å²	119	29.5 Å²	29.5	45%	0.449	17%	0.171	S	C	.	.			trans	-80.5	147.6	-172.9	-66.1	172.4	62.5	-141.3	7.1	112.5	N353 L359 E367	N353-R355 PolarHBondContact ND2-O 3.48Å; R355-L359 HydrophobicContact CB-CD2 3.4Å; R355-L359 VanDerWaalsContact CB-CD2 3.4Å; R355-L359 HydrophobicContact CG-CD2 4.36Å; R355-E367 WeakPolarHBondContact CD-OE1 3.45Å; R355-E367 WeakPolarHBondContact CD-OE2 3.37Å; R355-E367 IonicContact CZ-OE2 3.21Å; R355-E367 IonicContact NE-OE2 2.75Å; R355-E367 IonicContact NH1-OE2 3.03Å; R355-E367 PolarHBondContact NH1-OE2 3.05Å
356	R	98.5	Very high	96.2	Very high	14 Å²	14	28.6 Å²	28.6	5%	0.053	17%	0.166	C	C	.	.			trans	-133	-42.8	179.5	-60.2	-72.9	177.7	-79.8	-4.6	112	L302 T304 L306 N353 K354	L302-R356 CarbonylContact O-C 3.53Å; L302-R356 VanDerWaalsContact O-CB 3.29Å; L302-R356 WeakPolarHBondContact O-CB 3.27Å; T304-R356 WeakPolarHBondContact CG2-O 3.2Å; T304-R356 PolarHBondContact N-O 3.42Å; T304-R356 PolarHBondContact OG1-O 3.31Å; L306-R356 WeakPolarHBondContact O-CD 3.47Å; L306-R356 VanDerWaalsContact O-CZ 3.26Å; L306-R356 PolarHBondContact O-NE 3.3Å; L306-R356 VanDerWaalsContact O-NE 3.1Å; L306-R356 PolarHBondContact O-NH1 3.26Å; N353-R356 PolarHBondContact ND2-NH1 3.36Å; N353-R356 PolarHBondContact O-NH1 3.4Å; N353-R356 PolarHBondContact O-NH2 2.89Å; N353-R356 VanDerWaalsContact O-NH2 3.08Å; K354-R356 PolarHBondContact O-NH1 3.31Å
357	L	98.6	Very high	97.3	Very high	13 Å²	13	27.5 Å²	27.5	7%	0.068	14%	0.144	C	C	.	.	S	Bend	trans	-98.1	154.8	-177.1	-170.4	64.2	0	0	0	111.5	I111 H115 I122 H124 L292	I111-L357 HydrophobicContact CG2-CD2 3.71Å; H115-L357 HydrophobicContact CB-CB 4.43Å; H115-L357 HydrophobicContact CB-CD2 4.22Å; I122-L357 HydrophobicContact CG2-CD2 3.95Å; H124-L357 HydrophobicContact CB-CD1 4.07Å; L292-L357 WeakPolarHBondContact O-CD1 3.1Å
358	G	98.3	Very high	97.9	Very high	37 Å²	37	26.7 Å²	26.7	38%	0.381	14%	0.135	S	C	.	.	S	Bend	trans	70.7	20.9	178.4	0	0	0	0	0	117.5	Q123 H124	Q123-G358 WeakPolarHBondContact O-CA 3.24Å; H124-G358 PolarHBondContact ND1-N 3.28Å; H124-G358 VanDerWaalsContact ND1-N 3.15Å
359	L	98.7	Very high	98.1	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.031	14%	0.135	C	C	.	.	S	Bend	trans	-155.4	164.3	179.6	59	82.6	0	0	0	110.5	H124 P125 T304 R355 D363 A364	H124-L359 PolarHBondContact CE1-O 3.14Å; P125-L359 VanDerWaalsContact CG-C 3.47Å; T304-L359 HydrophobicContact CG2-CD1 3.76Å; T304-L359 WeakPolarHBondContact CG2-O 3.34Å; R355-L359 HydrophobicContact CB-CD2 3.4Å; R355-L359 VanDerWaalsContact CB-CD2 3.4Å; R355-L359 HydrophobicContact CG-CD2 4.36Å; L359-D363 HydrophobicContact CB-CB 3.92Å; L359-D363 HydrophobicContact CD1-CB 4.18Å; L359-A364 HydrophobicContact CD1-CB 3.49Å; L359-A364 VanDerWaalsContact CD1-CB 3.49Å
360	T	98.8	Very high	98.2	Very high	15 Å²	15	27.1 Å²	27.1	9%	0.092	15%	0.147	C	C	.	.			trans	-84.2	165.9	178.3	66.7	0	0	0	0	112.7	P125 N128 T304 L362 D363 A364	P125-T360 HydrophobicContact CB-CG2 4.06Å; P125-T360 HydrophobicContact CG-CG2 3.75Å; N128-T360 HydrophobicContact CB-CG2 4Å; T304-T360 VanDerWaalsContact CG2-C 3.48Å; T360-L362 PolarHBondContact O-N 3.33Å; T360-D363 WeakPolarHBondContact CB-OD2 3.32Å; T360-D363 PolarHBondContact N-OD2 2.96Å; T360-D363 PolarHBondContact O-N 3.16Å; T360-D363 PolarHBondContact OG1-N 3.4Å; T360-D363 VanDerWaalsContact OG1-N 3.17Å; T360-D363 PolarHBondContact OG1-OD2 2.57Å; T360-A364 PolarHBondContact O-N 3.19Å
361	E	98.7	Very high	98.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-32.7	174	-66.3	90	158.1	0	0	112.6	S127 N128 F129 R156 Y270 T304 L306 V365	S127-E361 WeakPolarHBondContact CA-OE2 3.38Å; S127-E361 VanDerWaalsContact OG-CD 3.24Å; S127-E361 PolarHBondContact OG-OE1 3.43Å; S127-E361 PolarHBondContact OG-OE2 2.6Å; N128-E361 PolarHBondContact N-OE2 2.78Å; N128-E361 PolarHBondContact O-N 3.38Å; F129-E361 HydrophobicContact CD1-CB 3.83Å; F129-E361 HydrophobicContact CD1-CG 4.33Å; F129-E361 HydrophobicContact CD2-CB 4.37Å; F129-E361 HydrophobicContact CD2-CG 4.43Å; F129-E361 HydrophobicContact CE1-CB 3.8Å; F129-E361 HydrophobicContact CE1-CG 3.84Å; F129-E361 HydrophobicContact CE2-CB 4.33Å; F129-E361 HydrophobicContact CE2-CG 3.94Å; F129-E361 HydrophobicContact CG-CB 4.12Å; F129-E361 HydrophobicContact CZ-CB 4.06Å; F129-E361 HydrophobicContact CZ-CG 3.62Å; R156-E361 IonicContact NH2-OE1 2.65Å; Y270-E361 VanDerWaalsContact OH-C 3.26Å; Y270-E361 PolarHBondContact OH-O 3.14Å; T304-E361 HydrophobicContact CG2-CG 4.06Å; L306-E361 HydrophobicContact CD1-CB 3.92Å; L306-E361 HydrophobicContact CD1-CG 4.19Å; E361-V365 WeakPolarHBondContact O-CG1 3.47Å; E361-V365 PolarHBondContact O-N 2.93Å
362	L	98.6	Very high	98.3	Very high	39 Å²	39	26.2 Å²	26.2	20%	0.204	14%	0.142	C	C	.	.	H	α-helix	trans	-65.7	-45.7	172.8	179.5	62.6	0	0	0	111.5	N128 L135 Y270 T360 A364 V365 T366	N128-L362 PolarHBondContact O-N 3.04Å; L135-L362 HydrophobicContact CD1-CD1 3.56Å; L135-L362 HydrophobicContact CD2-CD1 4.01Å; L135-L362 HydrophobicContact CG-CD1 4.45Å; Y270-L362 WeakPolarHBondContact OH-CA 3.34Å; Y270-L362 PolarHBondContact OH-N 3.16Å; T360-L362 PolarHBondContact O-N 3.33Å; L362-A364 VanDerWaalsContact C-N 3.28Å; L362-A364 PolarHBondContact O-N 3.36Å; L362-V365 HydrophobicContact CD1-CG1 4.47Å; L362-V365 VanDerWaalsContact O-CG1 3.31Å; L362-V365 WeakPolarHBondContact O-CG1 3.25Å; L362-V365 PolarHBondContact O-N 3.43Å; L362-T366 VanDerWaalsContact O-CB 3.26Å; L362-T366 WeakPolarHBondContact O-CB 3.47Å; L362-T366 PolarHBondContact O-N 2.95Å; L362-T366 PolarHBondContact O-OG1 3.3Å
363	D	98.5	Very high	98.4	Very high	75 Å²	75	31.1 Å²	31.1	40%	0.401	16%	0.161	S	C	.	.	H	α-helix	trans	-61.1	-41.1	176.8	-59.5	-42.4	0	0	0	110.8	L359 T360 T366 E367	L359-D363 HydrophobicContact CB-CB 3.92Å; L359-D363 HydrophobicContact CD1-CB 4.18Å; T360-D363 WeakPolarHBondContact CB-OD2 3.32Å; T360-D363 PolarHBondContact N-OD2 2.96Å; T360-D363 PolarHBondContact O-N 3.16Å; T360-D363 PolarHBondContact OG1-N 3.4Å; T360-D363 VanDerWaalsContact OG1-N 3.17Å; T360-D363 PolarHBondContact OG1-OD2 2.57Å; D363-T366 PolarHBondContact O-N 3.07Å; D363-E367 WeakPolarHBondContact O-CB 3.29Å; D363-E367 PolarHBondContact O-N 3.22Å
364	A	98.5	Very high	98.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-47.5	-178.8	0	0	0	0	0	112.3	T304 L306 N353 L359 T360 L362 M368	T304-A364 HydrophobicContact CG2-CB 4.46Å; L306-A364 HydrophobicContact CB-CB 4.33Å; L306-A364 HydrophobicContact CD2-CB 3.85Å; N353-A364 WeakPolarHBondContact CB-O 3.38Å; L359-A364 HydrophobicContact CD1-CB 3.49Å; L359-A364 VanDerWaalsContact CD1-CB 3.49Å; T360-A364 PolarHBondContact O-N 3.19Å; L362-A364 VanDerWaalsContact C-N 3.28Å; L362-A364 PolarHBondContact O-N 3.36Å; A364-M368 PolarHBondContact O-N 3.29Å; A364-M368 VanDerWaalsContact O-N 3.08Å
365	V	98.5	Very high	98.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-73.4	-31.6	179	70.7	0	0	0	0	111.6	F137 L266 Y270 A308 E361 L362 M368 H369	F137-V365 HydrophobicContact CE2-CG1 3.86Å; F137-V365 HydrophobicContact CE2-CG2 4.18Å; F137-V365 HydrophobicContact CZ-CG1 3.85Å; L266-V365 HydrophobicContact CD1-CG2 4.05Å; L266-V365 HydrophobicContact CD2-CG2 3.78Å; L266-V365 HydrophobicContact CG-CG2 4.04Å; Y270-V365 HydrophobicContact CD1-CG1 4.47Å; Y270-V365 HydrophobicContact CD2-CB 3.89Å; Y270-V365 HydrophobicContact CD2-CG1 3.95Å; Y270-V365 HydrophobicContact CD2-CG2 3.74Å; Y270-V365 HydrophobicContact CE1-CG1 4.09Å; Y270-V365 HydrophobicContact CE2-CB 3.68Å; Y270-V365 HydrophobicContact CE2-CG1 3.49Å; Y270-V365 VanDerWaalsContact CE2-CG1 3.49Å; Y270-V365 HydrophobicContact CE2-CG2 4.08Å; Y270-V365 HydrophobicContact CG-CG1 4.4Å; Y270-V365 HydrophobicContact CG-CG2 4.19Å; A308-V365 HydrophobicContact CB-CG2 4.26Å; E361-V365 WeakPolarHBondContact O-CG1 3.47Å; E361-V365 PolarHBondContact O-N 2.93Å; L362-V365 HydrophobicContact CD1-CG1 4.47Å; L362-V365 VanDerWaalsContact O-CG1 3.31Å; L362-V365 WeakPolarHBondContact O-CG1 3.25Å; L362-V365 PolarHBondContact O-N 3.43Å; V365-M368 WeakPolarHBondContact O-CB 3.35Å; V365-M368 PolarHBondContact O-N 2.59Å; V365-H369 WeakPolarHBondContact O-CB 3.37Å; V365-H369 PolarHBondContact O-N 3.39Å
366	T	98.4	Very high	98.6	Very high	52 Å²	52	23.6 Å²	23.6	32%	0.319	14%	0.136	S	C	.	.	H	α-helix	trans	-68.5	-42.6	176	-58.1	0	0	0	0	111.4	L362 D363 H369 S370	L362-T366 VanDerWaalsContact O-CB 3.26Å; L362-T366 WeakPolarHBondContact O-CB 3.47Å; L362-T366 PolarHBondContact O-N 2.95Å; L362-T366 PolarHBondContact O-OG1 3.3Å; D363-T366 PolarHBondContact O-N 3.07Å; T366-H369 PolarHBondContact O-N 3.39Å; T366-S370 VanDerWaalsContact O-CB 3.31Å; T366-S370 WeakPolarHBondContact O-CB 3.42Å; T366-S370 PolarHBondContact O-N 3.04Å; T366-S370 PolarHBondContact O-OG 2.88Å
367	E	98.4	Very high	98.6	Very high	38 Å²	38	26 Å²	26	18%	0.178	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-44.2	172.8	-173.9	178.4	137.8	0	0	110.6	G331 R355 D363 G371	G331-E367 WeakPolarHBondContact CA-OE1 3.4Å; R355-E367 WeakPolarHBondContact CD-OE1 3.45Å; R355-E367 WeakPolarHBondContact CD-OE2 3.37Å; R355-E367 IonicContact CZ-OE2 3.21Å; R355-E367 IonicContact NE-OE2 2.75Å; R355-E367 IonicContact NH1-OE2 3.03Å; R355-E367 PolarHBondContact NH1-OE2 3.05Å; D363-E367 WeakPolarHBondContact O-CB 3.29Å; D363-E367 PolarHBondContact O-N 3.22Å; E367-G371 PolarHBondContact O-N 2.8Å
368	M	98.6	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.1	-53.6	173.9	-174.9	-84.6	-153.8	0	0	111.5	L140 L266 A308 S309 V310 N353 A364 V365 S370 G371 V372	L140-M368 HydrophobicContact CD1-CE 4.45Å; L140-M368 HydrophobicContact CD1-SD 4.5Å; L266-M368 HydrophobicContact CD1-CE 4.28Å; L266-M368 HydrophobicContact CD2-SD 3.9Å; A308-M368 HydrophobicContact CB-CB 3.93Å; A308-M368 HydrophobicContact CB-CE 4.08Å; A308-M368 HydrophobicContact CB-CG 3.67Å; A308-M368 HydrophobicContact CB-SD 4.2Å; A308-M368 WeakPolarHBondContact O-CG 3.41Å; S309-M368 VanDerWaalsContact CA-CE 3.49Å; V310-M368 HydrophobicContact CG1-CE 3.73Å; N353-M368 HydrophobicContact CB-CB 3.87Å; A364-M368 PolarHBondContact O-N 3.29Å; A364-M368 VanDerWaalsContact O-N 3.08Å; V365-M368 WeakPolarHBondContact O-CB 3.35Å; V365-M368 PolarHBondContact O-N 2.59Å; M368-S370 PolarHBondContact O-N 3.33Å; M368-G371 PolarHBondContact O-N 3.27Å; M368-V372 HydrophobicContact CE-CG2 4.32Å; M368-V372 HydrophobicContact CG-CG2 4.19Å; M368-V372 VanDerWaalsContact O-CB 3.28Å; M368-V372 WeakPolarHBondContact O-CB 3.42Å; M368-V372 VanDerWaalsContact O-CG2 3.24Å; M368-V372 WeakPolarHBondContact O-CG2 3.35Å; M368-V372 PolarHBondContact O-N 3.23Å; M368-V372 HydrophobicContact SD-CB 4.41Å; M368-V372 HydrophobicContact SD-CG2 3.92Å
369	H	98.7	Very high	98.6	Very high	13 Å²	13	23.7 Å²	23.7	6%	0.06	13%	0.126	C	C	.	.	H	α-helix	trans	-60.7	-49.3	-176	-179.9	-92.4	0	0	0	111.3	F137 T138 L266 V365 T366 G371 R373	F137-H369 HydrophobicContact CD1-CB 3.93Å; F137-H369 AromaticContact CD1-CG 3.62Å; F137-H369 AromaticContact CD1-ND1 3.75Å; F137-H369 HydrophobicContact CE1-CB 4.19Å; F137-H369 HydrophobicContact CG-CB 4.47Å; T138-H369 PolarHBondContact O-NE2 3.4Å; T138-H369 PolarHBondContact OG1-CE1 3.37Å; T138-H369 PolarHBondContact OG1-NE2 2.8Å; L266-H369 HydrophobicContact CD2-CB 3.78Å; V365-H369 WeakPolarHBondContact O-CB 3.37Å; V365-H369 PolarHBondContact O-N 3.39Å; T366-H369 PolarHBondContact O-N 3.39Å; H369-G371 PolarHBondContact O-N 2.7Å; H369-R373 WeakPolarHBondContact O-CB 3.5Å; H369-R373 PolarHBondContact O-N 3.37Å
370	S	98.4	Very high	98.6	Very high	65 Å²	65	25.4 Å²	25.4	46%	0.455	14%	0.137	S	C	.	.	H	α-helix	trans	-63.2	-44.9	-179.2	-56	0	0	0	0	111.7	T366 M368 A374	T366-S370 VanDerWaalsContact O-CB 3.31Å; T366-S370 WeakPolarHBondContact O-CB 3.42Å; T366-S370 PolarHBondContact O-N 3.04Å; T366-S370 PolarHBondContact O-OG 2.88Å; M368-S370 PolarHBondContact O-N 3.33Å; S370-A374 PolarHBondContact O-N 3.31Å; S370-A374 VanDerWaalsContact O-N 3.12Å
371	G	98.5	Very high	98.6	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-67.7	-47.5	179.6	0	0	0	0	0	112.3	H330 E367 M368 H369 R373 A374 L375	H330-G371 WeakPolarHBondContact O-CA 3.42Å; E367-G371 PolarHBondContact O-N 2.8Å; M368-G371 PolarHBondContact O-N 3.27Å; H369-G371 PolarHBondContact O-N 2.7Å; G371-R373 PolarHBondContact O-N 3.4Å; G371-A374 PolarHBondContact O-N 3.14Å; G371-L375 VanDerWaalsContact O-CG 3.31Å; G371-L375 WeakPolarHBondContact O-CG 3.47Å; G371-L375 PolarHBondContact O-N 3.25Å; G371-L375 VanDerWaalsContact O-N 3.07Å
372	V	98.7	Very high	98.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-44.8	177.4	172.1	0	0	0	0	110.6	L140 V310 I332 L351 M368 A374 L375 L376	L140-V372 HydrophobicContact CD1-CG1 4.04Å; L140-V372 HydrophobicContact CD2-CB 4.44Å; L140-V372 HydrophobicContact CD2-CG1 4.08Å; V310-V372 HydrophobicContact CG2-CG1 3.6Å; V310-V372 HydrophobicContact CG2-CG2 4.27Å; I332-V372 HydrophobicContact CD1-CG2 3.92Å; I332-V372 HydrophobicContact CG1-CG2 4.45Å; L351-V372 HydrophobicContact CB-CG2 3.95Å; M368-V372 HydrophobicContact CE-CG2 4.32Å; M368-V372 HydrophobicContact CG-CG2 4.19Å; M368-V372 VanDerWaalsContact O-CB 3.28Å; M368-V372 WeakPolarHBondContact O-CB 3.42Å; M368-V372 VanDerWaalsContact O-CG2 3.24Å; M368-V372 WeakPolarHBondContact O-CG2 3.35Å; M368-V372 PolarHBondContact O-N 3.23Å; M368-V372 HydrophobicContact SD-CB 4.41Å; M368-V372 HydrophobicContact SD-CG2 3.92Å; V372-A374 VanDerWaalsContact C-N 3.33Å; V372-A374 PolarHBondContact O-N 3.09Å; V372-L375 PolarHBondContact O-N 3.17Å; V372-L375 VanDerWaalsContact O-N 3.15Å; V372-L376 HydrophobicContact CG1-CD1 3.88Å; V372-L376 HydrophobicContact CG1-CG 4.04Å; V372-L376 VanDerWaalsContact O-CG 3.31Å; V372-L376 WeakPolarHBondContact O-CG 3.49Å; V372-L376 PolarHBondContact O-N 2.85Å
373	R	98.6	Very high	98.6	Very high	102 Å²	102	29.7 Å²	29.7	39%	0.385	16%	0.156	S	C	.	.	H	α-helix	trans	-50.8	-52.8	173.5	168.1	179.5	177.2	176.4	0.7	111.5	L140 Y143 H369 G371 L375 L376 E377	L140-R373 HydrophobicContact CD2-CB 4.38Å; Y143-R373 HydrophobicContact CD1-CG 4.25Å; Y143-R373 HydrophobicContact CD2-CB 4.28Å; Y143-R373 HydrophobicContact CD2-CG 4.01Å; Y143-R373 HydrophobicContact CE1-CG 3.85Å; Y143-R373 HydrophobicContact CE2-CB 3.97Å; Y143-R373 HydrophobicContact CE2-CG 3.59Å; Y143-R373 HydrophobicContact CG-CG 4.34Å; Y143-R373 VanDerWaalsContact CZ-CD 3.44Å; Y143-R373 VanDerWaalsContact OH-CD 3.26Å; Y143-R373 WeakPolarHBondContact OH-CD 3.37Å; Y143-R373 PolarHBondContact OH-NE 2.83Å; Y143-R373 VanDerWaalsContact OH-NE 3.16Å; H369-R373 WeakPolarHBondContact O-CB 3.5Å; H369-R373 PolarHBondContact O-N 3.37Å; G371-R373 PolarHBondContact O-N 3.4Å; R373-L375 VanDerWaalsContact C-N 3.28Å; R373-L375 PolarHBondContact O-N 3.06Å; R373-L376 PolarHBondContact O-N 2.92Å; R373-E377 HydrophobicContact CG-CG 4.37Å; R373-E377 IonicContact CZ-OE1 3.68Å; R373-E377 IonicContact NE-OE1 2.75Å; R373-E377 PolarHBondContact NE-OE1 3.37Å; R373-E377 IonicContact NE-OE2 3.51Å; R373-E377 IonicContact NH2-OE1 3.61Å; R373-E377 PolarHBondContact NH2-OE1 3.45Å; R373-E377 WeakPolarHBondContact O-CB 3.49Å; R373-E377 WeakPolarHBondContact O-CG 3.2Å; R373-E377 PolarHBondContact O-N 2.98Å
374	A	98.5	Very high	98.6	Very high	25 Å²	25	33.4 Å²	33.4	21%	0.207	17%	0.171	C	C	.	.	H	α-helix	trans	-61.3	-37.1	-178.7	0	0	0	0	0	112.4	S370 G371 V372 L378	S370-A374 PolarHBondContact O-N 3.31Å; S370-A374 VanDerWaalsContact O-N 3.12Å; G371-A374 PolarHBondContact O-N 3.14Å; V372-A374 VanDerWaalsContact C-N 3.33Å; V372-A374 PolarHBondContact O-N 3.09Å; A374-L378 VanDerWaalsContact O-CB 3.3Å; A374-L378 WeakPolarHBondContact O-CB 3.44Å; A374-L378 PolarHBondContact O-N 3.19Å
375	L	98.7	Very high	98.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-70.1	-38	176.1	-64.2	176.9	0	0	0	112.6	L317 I326 C327 I332 L351 G371 V372 R373 L378 E379	L317-L375 HydrophobicContact CD2-CB 3.82Å; L317-L375 HydrophobicContact CD2-CD2 4Å; L317-L375 HydrophobicContact CD2-CG 4.39Å; I326-L375 HydrophobicContact CG2-CD2 3.81Å; C327-L375 HydrophobicContact CB-CD1 4.37Å; I332-L375 HydrophobicContact CB-CD1 3.88Å; I332-L375 HydrophobicContact CG1-CD1 3.91Å; I332-L375 HydrophobicContact CG2-CD1 3.78Å; L351-L375 HydrophobicContact CD1-CD1 4.23Å; G371-L375 VanDerWaalsContact O-CG 3.31Å; G371-L375 WeakPolarHBondContact O-CG 3.47Å; G371-L375 PolarHBondContact O-N 3.25Å; G371-L375 VanDerWaalsContact O-N 3.07Å; V372-L375 PolarHBondContact O-N 3.17Å; V372-L375 VanDerWaalsContact O-N 3.15Å; R373-L375 VanDerWaalsContact C-N 3.28Å; R373-L375 PolarHBondContact O-N 3.06Å; L375-L378 PolarHBondContact O-N 2.69Å; L375-E379 PolarHBondContact O-N 3.02Å
376	L	98.7	Very high	98.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.6	-43.7	175.8	-64.7	-179.7	0	0	0	111.7	L140 L146 V147 A312 I314 V372 R373 L378 E379 V380	L140-L376 HydrophobicContact CB-CD1 4.15Å; L140-L376 WeakPolarHBondContact O-CD1 3.26Å; L146-L376 HydrophobicContact CB-CD2 4.04Å; L146-L376 HydrophobicContact CD1-CD2 4.08Å; V147-L376 HydrophobicContact CG2-CD1 3.71Å; A312-L376 HydrophobicContact CB-CD2 3.81Å; I314-L376 HydrophobicContact CG2-CD2 3.95Å; V372-L376 HydrophobicContact CG1-CD1 3.88Å; V372-L376 HydrophobicContact CG1-CG 4.04Å; V372-L376 VanDerWaalsContact O-CG 3.31Å; V372-L376 WeakPolarHBondContact O-CG 3.49Å; V372-L376 PolarHBondContact O-N 2.85Å; R373-L376 PolarHBondContact O-N 2.92Å; L376-L378 PolarHBondContact O-N 3.12Å; L376-E379 PolarHBondContact O-N 3.17Å; L376-V380 WeakPolarHBondContact O-CG2 3.37Å; L376-V380 PolarHBondContact O-N 3.24Å
377	E	98.6	Very high	98.5	Very high	64 Å²	64	42 Å²	42	30%	0.299	20%	0.203	S	C	.	.	H	α-helix	trans	-56.9	-40.8	171.5	-72.8	173.5	168.4	0	0	110.6	Y143 R373 V380 M381	Y143-E377 HydrophobicContact CD1-CG 3.51Å; Y143-E377 HydrophobicContact CE1-CG 4.15Å; Y143-E377 VanDerWaalsContact CE1-OE1 3.23Å; Y143-E377 WeakPolarHBondContact CE1-OE1 3.27Å; Y143-E377 HydrophobicContact CG-CG 4.09Å; R373-E377 HydrophobicContact CG-CG 4.37Å; R373-E377 IonicContact CZ-OE1 3.68Å; R373-E377 IonicContact NE-OE1 2.75Å; R373-E377 PolarHBondContact NE-OE1 3.37Å; R373-E377 IonicContact NE-OE2 3.51Å; R373-E377 IonicContact NH2-OE1 3.61Å; R373-E377 PolarHBondContact NH2-OE1 3.45Å; R373-E377 WeakPolarHBondContact O-CB 3.49Å; R373-E377 WeakPolarHBondContact O-CG 3.2Å; R373-E377 PolarHBondContact O-N 2.98Å; E377-V380 PolarHBondContact O-N 3.38Å; E377-M381 WeakPolarHBondContact O-CG 3.37Å; E377-M381 PolarHBondContact O-N 2.71Å
378	L	98.6	Very high	98.4	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-67.4	-40.1	176.4	-174.5	60	0	0	0	113.4	L317 I326 A374 L375 L376 V380 M381 L382 E397 Y401	L317-L378 HydrophobicContact CD1-CD2 3.93Å; I326-L378 HydrophobicContact CG2-CD2 4.18Å; A374-L378 VanDerWaalsContact O-CB 3.3Å; A374-L378 WeakPolarHBondContact O-CB 3.44Å; A374-L378 PolarHBondContact O-N 3.19Å; L375-L378 PolarHBondContact O-N 2.69Å; L376-L378 PolarHBondContact O-N 3.12Å; L378-V380 VanDerWaalsContact C-N 3.35Å; L378-M381 HydrophobicContact CB-CE 4.32Å; L378-M381 HydrophobicContact CD1-CE 4.04Å; L378-M381 PolarHBondContact O-N 3.1Å; L378-L382 HydrophobicContact CG-CD1 4.2Å; L378-L382 WeakPolarHBondContact O-CB 3.26Å; L378-L382 VanDerWaalsContact O-CG 3.29Å; L378-L382 WeakPolarHBondContact O-CG 3.27Å; L378-L382 PolarHBondContact O-N 3.22Å; L378-E397 HydrophobicContact CD1-CB 4.33Å; L378-E397 HydrophobicContact CD1-CG 3.82Å; L378-Y401 HydrophobicContact CD1-CD1 4.3Å; L378-Y401 HydrophobicContact CD1-CD2 4.38Å; L378-Y401 HydrophobicContact CD1-CE1 4.02Å; L378-Y401 HydrophobicContact CD1-CE2 4.11Å; L378-Y401 HydrophobicContact CD1-CG 4.48Å
379	E	98.7	Very high	98.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-44.5	172.9	175.8	65.5	-167.4	0	0	111.2	L146 I314 P315 M316 L317 L375 L376 M381 L382 Q383	L146-E379 HydrophobicContact CD1-CB 3.96Å; L146-E379 HydrophobicContact CD1-CG 3.64Å; I314-E379 HydrophobicContact CB-CB 4.47Å; I314-E379 HydrophobicContact CB-CG 4.29Å; I314-E379 HydrophobicContact CG2-CB 4.01Å; I314-E379 HydrophobicContact CG2-CG 4.07Å; P315-E379 VanDerWaalsContact CD-OE1 3.25Å; P315-E379 WeakPolarHBondContact CD-OE1 3.35Å; M316-E379 PolarHBondContact N-OE1 3.04Å; M316-E379 PolarHBondContact N-OE2 3.46Å; L317-E379 VanDerWaalsContact CB-OE2 3.24Å; L317-E379 WeakPolarHBondContact CB-OE2 3.48Å; L317-E379 PolarHBondContact N-OE2 3.15Å; L375-E379 PolarHBondContact O-N 3.02Å; L376-E379 PolarHBondContact O-N 3.17Å; E379-M381 PolarHBondContact O-N 3.04Å; E379-L382 WeakPolarHBondContact O-CB 3.28Å; E379-L382 PolarHBondContact O-N 2.7Å; E379-Q383 WeakPolarHBondContact O-CG 3.35Å; E379-Q383 PolarHBondContact O-N 3.28Å; E379-Q383 PolarHBondContact OE1-NE2 3.39Å
380	V	98.7	Very high	98.4	Very high	42 Å²	42	47.8 Å²	47.8	26%	0.255	26%	0.263	S	S	.	.	H	α-helix	trans	-60.1	-47.1	175.8	173.1	0	0	0	0	110.5	L146 L376 E377 L378 L382 Q383 E384	L146-V380 HydrophobicContact CD1-CG2 4.26Å; L376-V380 WeakPolarHBondContact O-CG2 3.37Å; L376-V380 PolarHBondContact O-N 3.24Å; E377-V380 PolarHBondContact O-N 3.38Å; L378-V380 VanDerWaalsContact C-N 3.35Å; V380-L382 VanDerWaalsContact C-N 3.32Å; V380-L382 PolarHBondContact O-N 3.32Å; V380-Q383 PolarHBondContact O-N 2.86Å; V380-E384 WeakPolarHBondContact O-CG 3.4Å; V380-E384 PolarHBondContact O-N 2.96Å
381	M	98.6	Very high	98.2	Very high	68 Å²	68	53.8 Å²	53.8	34%	0.335	28%	0.284	S	S	.	.	H	α-helix	trans	-58.8	-41	175.8	-77.7	-172.6	-73.6	0	0	112.6	E377 L378 E379 Y385 P398 Y401	E377-M381 WeakPolarHBondContact O-CG 3.37Å; E377-M381 PolarHBondContact O-N 2.71Å; L378-M381 HydrophobicContact CB-CE 4.32Å; L378-M381 HydrophobicContact CD1-CE 4.04Å; L378-M381 PolarHBondContact O-N 3.1Å; E379-M381 PolarHBondContact O-N 3.04Å; M381-Y385 WeakPolarHBondContact O-CB 3.5Å; M381-Y385 PolarHBondContact O-N 2.81Å; M381-P398 HydrophobicContact CB-CG 3.81Å; M381-P398 HydrophobicContact CG-CG 4.27Å; M381-P398 HydrophobicContact SD-CG 4.27Å; M381-Y401 HydrophobicContact CE-CD2 4.1Å; M381-Y401 HydrophobicContact CE-CE2 4.4Å
382	L	98.6	Very high	98.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.3	-45.9	176.4	-76.7	164.1	0	0	0	111.6	M316 L317 L320 L378 E379 V380 E384 Y385 N386 V396 E397	M316-L382 HydrophobicContact CB-CB 3.96Å; M316-L382 HydrophobicContact CB-CD1 4.31Å; M316-L382 HydrophobicContact SD-CB 4.18Å; L317-L382 HydrophobicContact CB-CD1 3.92Å; L320-L382 HydrophobicContact CD1-CD1 3.9Å; L320-L382 HydrophobicContact CD1-CD2 4.46Å; L320-L382 HydrophobicContact CD2-CD2 4.49Å; L378-L382 HydrophobicContact CG-CD1 4.2Å; L378-L382 WeakPolarHBondContact O-CB 3.26Å; L378-L382 VanDerWaalsContact O-CG 3.29Å; L378-L382 WeakPolarHBondContact O-CG 3.27Å; L378-L382 PolarHBondContact O-N 3.22Å; E379-L382 WeakPolarHBondContact O-CB 3.28Å; E379-L382 PolarHBondContact O-N 2.7Å; V380-L382 VanDerWaalsContact C-N 3.32Å; V380-L382 PolarHBondContact O-N 3.32Å; L382-E384 VanDerWaalsContact C-N 3.35Å; L382-E384 PolarHBondContact O-N 2.99Å; L382-Y385 PolarHBondContact O-N 3.17Å; L382-N386 WeakPolarHBondContact O-CB 3.46Å; L382-N386 PolarHBondContact O-N 2.86Å; L382-N386 PolarHBondContact O-ND2 3.18Å; L382-V396 VanDerWaalsContact CD2-C 3.41Å; L382-V396 WeakPolarHBondContact CD2-O 3.31Å; L382-E397 HydrophobicContact CD2-CG 4.13Å
383	Q	98.1	Very high	98.1	Very high	76 Å²	76	56.3 Å²	56.3	36%	0.355	31%	0.307	S	S	.	.	H	α-helix	trans	-61.3	-42.7	178.7	-73	-177.2	13.7	0	0	112	M316 E379 V380 K387	M316-Q383 HydrophobicContact CE-CG 4.23Å; M316-Q383 HydrophobicContact CG-CG 4.38Å; M316-Q383 VanDerWaalsContact SD-CA 3.59Å; M316-Q383 HydrophobicContact SD-CB 4.38Å; M316-Q383 HydrophobicContact SD-CG 3.96Å; E379-Q383 WeakPolarHBondContact O-CG 3.35Å; E379-Q383 PolarHBondContact O-N 3.28Å; E379-Q383 PolarHBondContact OE1-NE2 3.39Å; V380-Q383 PolarHBondContact O-N 2.86Å; Q383-K387 PolarHBondContact O-N 2.79Å
384	E	98.3	Very high	98.1	Very high	153 Å²	153	51.7 Å²	51.7	72%	0.715	29%	0.289	S	S	*	.	H	α-helix	trans	-70.4	-47.9	177.9	-65.5	-140.2	149.3	0	0	112.2	V380 L382 N386 K387	V380-E384 WeakPolarHBondContact O-CG 3.4Å; V380-E384 PolarHBondContact O-N 2.96Å; L382-E384 VanDerWaalsContact C-N 3.35Å; L382-E384 PolarHBondContact O-N 2.99Å; E384-N386 VanDerWaalsContact C-N 3.28Å; E384-N386 PolarHBondContact O-N 2.81Å; E384-K387 WeakPolarHBondContact O-CB 3.43Å; E384-K387 PolarHBondContact O-N 2.99Å
385	Y	98.4	Very high	98.1	Very high	43 Å²	43	51.6 Å²	51.6	17%	0.169	29%	0.287	C	S	.	.	H	α-helix	trans	-69.1	-26.1	-174.9	-158.5	-103.7	0	0	0	113.3	M381 L382 V396 P398 L399 D429 G430 R432 A440	M381-Y385 WeakPolarHBondContact O-CB 3.5Å; M381-Y385 PolarHBondContact O-N 2.81Å; L382-Y385 PolarHBondContact O-N 3.17Å; Y385-V396 HydrophobicContact CD1-CG1 4.15Å; Y385-V396 HydrophobicContact CE1-CG1 4.14Å; Y385-P398 HydrophobicContact CD2-CB 3.92Å; Y385-P398 HydrophobicContact CD2-CG 4.14Å; Y385-P398 HydrophobicContact CE2-CB 4.12Å; Y385-P398 HydrophobicContact CG-CB 4.27Å; Y385-P398 HydrophobicContact CG-CG 4.18Å; Y385-L399 PolarHBondContact OH-N 3.32Å; Y385-D429 WeakPolarHBondContact CE2-OD1 3.32Å; Y385-D429 VanDerWaalsContact CZ-OD1 3.31Å; Y385-D429 PolarHBondContact OH-OD1 3.3Å; Y385-G430 PolarHBondContact OH-N 3.29Å; Y385-R432 PolarHBondContact O-NH2 3.16Å; Y385-A440 HydrophobicContact CE1-CB 4.01Å
386	N	98.6	Very high	98.1	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.048	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	10.6	179.9	-59.3	-75.7	0	0	0	114.2	M316 L382 E384 G388 A389 P395 V396 R432	M316-N386 HydrophobicContact SD-CB 4.37Å; L382-N386 WeakPolarHBondContact O-CB 3.46Å; L382-N386 PolarHBondContact O-N 2.86Å; L382-N386 PolarHBondContact O-ND2 3.18Å; E384-N386 VanDerWaalsContact C-N 3.28Å; E384-N386 PolarHBondContact O-N 2.81Å; N386-G388 PolarHBondContact O-N 3.04Å; N386-A389 HydrophobicContact CB-CB 4.32Å; N386-A389 VanDerWaalsContact O-CB 3.29Å; N386-A389 WeakPolarHBondContact O-CB 3.44Å; N386-A389 PolarHBondContact O-N 3.11Å; N386-P395 HydrophobicContact CB-CB 4.34Å; N386-V396 PolarHBondContact ND2-N 3.27Å; N386-V396 PolarHBondContact ND2-O 3.37Å; N386-V396 PolarHBondContact OD1-N 2.47Å; N386-V396 VanDerWaalsContact OD1-N 3.12Å; N386-R432 PolarHBondContact OD1-NH2 3.41Å
387	K	97.9	Very high	98.1	Very high	181 Å²	181	51.6 Å²	51.6	79%	0.787	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	121.3	174.6	-169.7	174.7	-177.4	176.4	0	110.6	Q383 E384 A389	Q383-K387 PolarHBondContact O-N 2.79Å; E384-K387 WeakPolarHBondContact O-CB 3.43Å; E384-K387 PolarHBondContact O-N 2.99Å; K387-A389 VanDerWaalsContact C-N 3.31Å; K387-A389 PolarHBondContact O-N 2.97Å
388	G	96.8	Very high	98.1	Very high	82 Å²	82	49.2 Å²	49.2	85%	0.845	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	7	-179.1	0	0	0	0	0	115.2	N386	N386-G388 PolarHBondContact O-N 3.04Å
389	A	97.7	Very high	98.1	Very high	28 Å²	28	49.1 Å²	49.1	23%	0.231	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-64.8	149.8	169.7	0	0	0	0	0	110.8	N386 K387	N386-A389 HydrophobicContact CB-CB 4.32Å; N386-A389 VanDerWaalsContact O-CB 3.29Å; N386-A389 WeakPolarHBondContact O-CB 3.44Å; N386-A389 PolarHBondContact O-N 3.11Å; K387-A389 VanDerWaalsContact C-N 3.31Å; K387-A389 PolarHBondContact O-N 2.97Å
390	P	97.7	Very high	98.1	Very high	62 Å²	62	53 Å²	53	40%	0.403	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-60.4	143.2	179.4	-21	31.9	0	0	0	112.5	V393	P390-V393 HydrophobicContact CB-CB 4.42Å; P390-V393 HydrophobicContact CB-CG2 3.79Å; P390-V393 HydrophobicContact CG-CG2 4.31Å; P390-V393 WeakPolarHBondContact O-CB 3.32Å; P390-V393 PolarHBondContact O-N 3.46Å
391	E	96	Very high	98.1	Very high	192 Å²	192	53.3 Å²	53.3	90%	0.897	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	140.6	-179.8	-170.7	179.1	174.4	0	0	111.7	V393	E391-V393 PolarHBondContact O-N 3.08Å; E391-V393 VanDerWaalsContact O-N 3.11Å
392	G	96.3	Very high	98.1	Very high	40 Å²	40	50.1 Å²	50.1	41%	0.412	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	-12.3	-178.9	0	0	0	0	0	114.9	S531 R592	G392-S531 WeakPolarHBondContact O-CA 3.4Å; G392-R592 PolarHBondContact O-NH1 3.26Å
393	V	98.3	Very high	98.1	Very high	15 Å²	15	50.9 Å²	50.9	9%	0.091	29%	0.288	C	S	.	.	S	Bend	trans	-70.6	139.8	168.4	178.2	0	0	0	0	109	P390 E391 L525 I529	P390-V393 HydrophobicContact CB-CB 4.42Å; P390-V393 HydrophobicContact CB-CG2 3.79Å; P390-V393 HydrophobicContact CG-CG2 4.31Å; P390-V393 WeakPolarHBondContact O-CB 3.32Å; P390-V393 PolarHBondContact O-N 3.46Å; E391-V393 PolarHBondContact O-N 3.08Å; E391-V393 VanDerWaalsContact O-N 3.11Å; V393-L525 HydrophobicContact CG2-CD1 3.67Å; V393-I529 VanDerWaalsContact CA-O 3.3Å; V393-I529 WeakPolarHBondContact CA-O 3.4Å; V393-I529 HydrophobicContact CG1-CB 4.02Å; V393-I529 HydrophobicContact CG1-CD1 4.1Å; V393-I529 HydrophobicContact CG1-CG1 4.31Å
394	M	98.6	Very high	98.2	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.02	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-54.4	126.4	-178.1	-174.4	167.8	163.1	0	0	111.1	L320 P321 H441 R444 I529 G589	L320-M394 HydrophobicContact CD2-CE 4.29Å; P321-M394 VanDerWaalsContact CD-CE 3.47Å; P321-M394 HydrophobicContact CG-CE 3.73Å; P321-M394 HydrophobicContact CG-SD 4.16Å; M394-H441 PolarHBondContact O-NE2 3.13Å; M394-R444 VanDerWaalsContact CE-CD 3.48Å; M394-I529 HydrophobicContact CB-CB 4.24Å; M394-I529 HydrophobicContact CB-CG2 4.2Å; M394-I529 PolarHBondContact N-O 2.87Å; M394-G589 WeakPolarHBondContact SD-CA 3.17Å
395	P	98.5	Very high	98.2	Very high	23 Å²	23	49 Å²	49	15%	0.149	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-72.1	149	166.7	30.1	-33	0	0	0	110.1	S319 L320 N386	S319-P395 VanDerWaalsContact OG-CG 3.29Å; S319-P395 WeakPolarHBondContact OG-CG 3.5Å; L320-P395 HydrophobicContact CD2-CG 4.47Å; L320-P395 WeakPolarHBondContact CD2-O 3.33Å; N386-P395 HydrophobicContact CB-CB 4.34Å
396	V	98.8	Very high	98.2	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.27	C	S	.	.			trans	-133.3	144.4	-179.3	67.5	0	0	0	0	112.9	L382 Y385 N386 L402 A440 H441	L382-V396 VanDerWaalsContact CD2-C 3.41Å; L382-V396 WeakPolarHBondContact CD2-O 3.31Å; Y385-V396 HydrophobicContact CD1-CG1 4.15Å; Y385-V396 HydrophobicContact CE1-CG1 4.14Å; N386-V396 PolarHBondContact ND2-N 3.27Å; N386-V396 PolarHBondContact ND2-O 3.37Å; N386-V396 PolarHBondContact OD1-N 2.47Å; N386-V396 VanDerWaalsContact OD1-N 3.12Å; V396-L402 HydrophobicContact CG2-CD1 3.77Å; V396-A440 HydrophobicContact CG1-CB 4.01Å; V396-A440 HydrophobicContact CG2-CB 3.85Å; V396-H441 WeakPolarHBondContact CG1-NE2 3.31Å
397	E	98.8	Very high	98.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.295	C	S	.	.			trans	-60.6	154.4	172.6	-54.2	85.9	161.3	0	0	111	L320 L378 L382 Y401 L402 R444 Y448	L320-E397 HydrophobicContact CD1-CG 4.48Å; L320-E397 VanDerWaalsContact CD1-OE1 3.25Å; L320-E397 WeakPolarHBondContact CD1-OE1 3.35Å; L378-E397 HydrophobicContact CD1-CB 4.33Å; L378-E397 HydrophobicContact CD1-CG 3.82Å; L382-E397 HydrophobicContact CD2-CG 4.13Å; E397-Y401 HydrophobicContact CB-CD1 3.72Å; E397-Y401 HydrophobicContact CB-CE1 4.34Å; E397-Y401 HydrophobicContact CB-CG 4.45Å; E397-Y401 HydrophobicContact CG-CD1 4.02Å; E397-Y401 HydrophobicContact CG-CE1 4.12Å; E397-L402 HydrophobicContact CB-CD1 4.37Å; E397-L402 HydrophobicContact CB-CD2 3.99Å; E397-L402 HydrophobicContact CB-CG 3.96Å; E397-L402 HydrophobicContact CG-CD2 4.3Å; E397-R444 IonicContact OE1-CZ 2.81Å; E397-R444 IonicContact OE1-NE 3.76Å; E397-R444 PolarHBondContact OE1-NE 2.82Å; E397-R444 IonicContact OE1-NH2 2.92Å; E397-R444 PolarHBondContact OE1-NH2 3.39Å; E397-R444 WeakPolarHBondContact OE2-CD 3.38Å; E397-R444 IonicContact OE2-CZ 3.13Å; E397-R444 IonicContact OE2-NE 3.96Å; E397-R444 PolarHBondContact OE2-NE 3.44Å; E397-R444 IonicContact OE2-NH2 2.68Å; E397-Y448 PolarHBondContact OE1-OH 2.81Å
398	P	98.7	Very high	98.1	Very high	14 Å²	14	46.5 Å²	46.5	9%	0.091	29%	0.286	C	S	.	.			trans	-54.3	145.4	176.6	-26	33.7	0	0	0	113.1	M381 Y385 T400 Y401 L402	M381-P398 HydrophobicContact CB-CG 3.81Å; M381-P398 HydrophobicContact CG-CG 4.27Å; M381-P398 HydrophobicContact SD-CG 4.27Å; Y385-P398 HydrophobicContact CD2-CB 3.92Å; Y385-P398 HydrophobicContact CD2-CG 4.14Å; Y385-P398 HydrophobicContact CE2-CB 4.12Å; Y385-P398 HydrophobicContact CG-CB 4.27Å; Y385-P398 HydrophobicContact CG-CG 4.18Å; P398-T400 PolarHBondContact O-N 2.87Å; P398-Y401 WeakPolarHBondContact O-CB 3.18Å; P398-Y401 PolarHBondContact O-N 3.16Å; P398-L402 PolarHBondContact O-N 3.46Å; P398-L402 VanDerWaalsContact O-N 3.12Å
399	L	98.8	Very high	98.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-54.5	-42	-178.7	178.9	60.4	0	0	0	112.1	Y385 L402 A403 L420 I425 D429 L439 A440 I443	Y385-L399 PolarHBondContact OH-N 3.32Å; L399-L402 PolarHBondContact O-N 2.97Å; L399-A403 VanDerWaalsContact O-CB 3.3Å; L399-A403 WeakPolarHBondContact O-CB 3.44Å; L399-A403 PolarHBondContact O-N 3.34Å; L399-L420 HydrophobicContact CD1-CD1 4.41Å; L399-I425 HydrophobicContact CD2-CB 4.36Å; L399-I425 HydrophobicContact CD2-CG1 4.4Å; L399-I425 HydrophobicContact CD2-CG2 4.07Å; L399-I425 HydrophobicContact CG-CG2 4.38Å; L399-D429 HydrophobicContact CB-CB 4.43Å; L399-D429 WeakPolarHBondContact CB-OD1 3.24Å; L399-D429 HydrophobicContact CD2-CB 3.94Å; L399-L439 HydrophobicContact CD1-CB 4.3Å; L399-L439 HydrophobicContact CD1-CD2 4.27Å; L399-L439 HydrophobicContact CD1-CG 3.9Å; L399-L439 HydrophobicContact CD2-CB 4.36Å; L399-L439 HydrophobicContact CD2-CD2 3.87Å; L399-L439 HydrophobicContact CD2-CG 4.24Å; L399-A440 HydrophobicContact CB-CB 4.13Å; L399-A440 HydrophobicContact CD1-CB 4.29Å; L399-I443 HydrophobicContact CD1-CD1 3.56Å; L399-I443 HydrophobicContact CD1-CG1 4.29Å
400	T	98.5	Very high	98.1	Very high	82 Å²	82	43.6 Å²	43.6	50%	0.503	25%	0.25	S	S	.	.	H	α-helix	trans	-66.8	-34.2	179.1	49.9	0	0	0	0	113.1	P398 K404 I425	P398-T400 PolarHBondContact O-N 2.87Å; T400-K404 PolarHBondContact O-N 3.34Å; T400-K404 VanDerWaalsContact O-N 3.15Å; T400-I425 HydrophobicContact CG2-CG2 4.03Å
401	Y	98.6	Very high	98.1	Very high	48 Å²	48	44.4 Å²	44.4	19%	0.188	25%	0.251	C	S	.	.	H	α-helix	trans	-65	-47.5	173.8	178.6	-89.1	0	0	0	110.8	L378 M381 E397 P398 K404 L405	L378-Y401 HydrophobicContact CD1-CD1 4.3Å; L378-Y401 HydrophobicContact CD1-CD2 4.38Å; L378-Y401 HydrophobicContact CD1-CE1 4.02Å; L378-Y401 HydrophobicContact CD1-CE2 4.11Å; L378-Y401 HydrophobicContact CD1-CG 4.48Å; M381-Y401 HydrophobicContact CE-CD2 4.1Å; M381-Y401 HydrophobicContact CE-CE2 4.4Å; E397-Y401 HydrophobicContact CB-CD1 3.72Å; E397-Y401 HydrophobicContact CB-CE1 4.34Å; E397-Y401 HydrophobicContact CB-CG 4.45Å; E397-Y401 HydrophobicContact CG-CD1 4.02Å; E397-Y401 HydrophobicContact CG-CE1 4.12Å; P398-Y401 WeakPolarHBondContact O-CB 3.18Å; P398-Y401 PolarHBondContact O-N 3.16Å; Y401-K404 WeakPolarHBondContact O-CB 3.43Å; Y401-K404 PolarHBondContact O-N 3.32Å; Y401-L405 HydrophobicContact CD1-CD1 4.21Å; Y401-L405 HydrophobicContact CE1-CD1 3.63Å; Y401-L405 HydrophobicContact CE1-CG 4.29Å; Y401-L405 PolarHBondContact O-N 3.49Å
402	L	98.8	Very high	98.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.2	-36.7	177.9	-65.7	178.4	0	0	0	112.5	V396 E397 P398 L399 K404 L405 L406 A440 I443 R444 A447 Y448	V396-L402 HydrophobicContact CG2-CD1 3.77Å; E397-L402 HydrophobicContact CB-CD1 4.37Å; E397-L402 HydrophobicContact CB-CD2 3.99Å; E397-L402 HydrophobicContact CB-CG 3.96Å; E397-L402 HydrophobicContact CG-CD2 4.3Å; P398-L402 PolarHBondContact O-N 3.46Å; P398-L402 VanDerWaalsContact O-N 3.12Å; L399-L402 PolarHBondContact O-N 2.97Å; L402-K404 VanDerWaalsContact C-N 3.28Å; L402-K404 PolarHBondContact O-N 2.71Å; L402-L405 HydrophobicContact CD2-CD1 4.4Å; L402-L405 PolarHBondContact O-N 3.49Å; L402-L406 WeakPolarHBondContact O-CB 3.49Å; L402-L406 PolarHBondContact O-N 3.03Å; L402-A440 HydrophobicContact CD1-CB 4.09Å; L402-A440 VanDerWaalsContact CD1-O 3.25Å; L402-A440 WeakPolarHBondContact CD1-O 3.48Å; L402-I443 HydrophobicContact CB-CD1 3.84Å; L402-I443 HydrophobicContact CB-CG1 4.15Å; L402-I443 HydrophobicContact CD1-CG1 4.36Å; L402-R444 HydrophobicContact CD1-CB 4.02Å; L402-R444 HydrophobicContact CD1-CG 4.11Å; L402-R444 HydrophobicContact CD2-CG 4.16Å; L402-A447 HydrophobicContact CB-CB 4.05Å; L402-A447 HydrophobicContact CD2-CB 4.03Å; L402-A447 WeakPolarHBondContact O-CB 3.31Å; L402-Y448 HydrophobicContact CD2-CD2 4.42Å; L402-Y448 HydrophobicContact CD2-CE2 3.7Å
403	A	98.7	Very high	98.1	Very high	17 Å²	17	47.9 Å²	47.9	14%	0.14	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-40.6	174.5	0	0	0	0	0	111.6	L399 L406 E407 L420 I425	L399-A403 VanDerWaalsContact O-CB 3.3Å; L399-A403 WeakPolarHBondContact O-CB 3.44Å; L399-A403 PolarHBondContact O-N 3.34Å; A403-L406 WeakPolarHBondContact O-CB 3.43Å; A403-L406 PolarHBondContact O-N 3.03Å; A403-E407 PolarHBondContact O-N 3.46Å; A403-L420 HydrophobicContact CB-CD2 4.01Å; A403-I425 HydrophobicContact CB-CD1 3.89Å
404	K	98.4	Very high	98.1	Very high	150 Å²	150	47.3 Å²	47.3	65%	0.652	25%	0.25	S	S	*	.	H	α-helix	trans	-63.2	-40.4	175.1	-175	175.7	-178.1	176.2	0	112.6	T400 Y401 L402 L406 E407	T400-K404 PolarHBondContact O-N 3.34Å; T400-K404 VanDerWaalsContact O-N 3.15Å; Y401-K404 WeakPolarHBondContact O-CB 3.43Å; Y401-K404 PolarHBondContact O-N 3.32Å; L402-K404 VanDerWaalsContact C-N 3.28Å; L402-K404 PolarHBondContact O-N 2.71Å; K404-L406 VanDerWaalsContact C-N 3.34Å; K404-E407 WeakPolarHBondContact O-CB 3.47Å; K404-E407 PolarHBondContact O-N 3.28Å
405	L	98.2	Very high	98.1	Very high	39 Å²	39	49.7 Å²	49.7	20%	0.204	26%	0.26	C	S	.	.	H	α-helix	trans	-66.7	-37.7	175.7	-65.4	-178.5	0	0	0	112	Y401 L402 E407 G408 A447 Y448	Y401-L405 HydrophobicContact CD1-CD1 4.21Å; Y401-L405 HydrophobicContact CE1-CD1 3.63Å; Y401-L405 HydrophobicContact CE1-CG 4.29Å; Y401-L405 PolarHBondContact O-N 3.49Å; L402-L405 HydrophobicContact CD2-CD1 4.4Å; L402-L405 PolarHBondContact O-N 3.49Å; L405-E407 PolarHBondContact O-N 3.16Å; L405-G408 PolarHBondContact O-N 2.8Å; L405-A447 HydrophobicContact CB-CB 4.13Å; L405-A447 WeakPolarHBondContact CB-O 3.29Å; L405-Y448 HydrophobicContact CD1-CD1 4.34Å; L405-Y448 HydrophobicContact CD1-CE1 3.75Å; L405-Y448 HydrophobicContact CD1-CE2 4.23Å
406	L	98.4	Very high	98.1	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-66.9	-14.7	178.8	-170.8	65.3	0	0	0	113.2	L402 A403 K404 G408 A409 T416 R417 L420 G446 A447	L402-L406 WeakPolarHBondContact O-CB 3.49Å; L402-L406 PolarHBondContact O-N 3.03Å; A403-L406 WeakPolarHBondContact O-CB 3.43Å; A403-L406 PolarHBondContact O-N 3.03Å; K404-L406 VanDerWaalsContact C-N 3.34Å; L406-G408 PolarHBondContact O-N 3.14Å; L406-G408 VanDerWaalsContact O-N 3.08Å; L406-A409 HydrophobicContact CD1-CB 3.98Å; L406-A409 WeakPolarHBondContact O-CB 3.38Å; L406-A409 PolarHBondContact O-N 3.42Å; L406-T416 HydrophobicContact CD1-CG2 4.46Å; L406-T416 HydrophobicContact CD2-CG2 4.08Å; L406-R417 HydrophobicContact CD1-CB 4.4Å; L406-R417 HydrophobicContact CD2-CB 3.95Å; L406-R417 HydrophobicContact CD2-CG 4.36Å; L406-R417 HydrophobicContact CG-CB 3.91Å; L406-R417 HydrophobicContact CG-CG 4.18Å; L406-R417 WeakPolarHBondContact O-CD 3.29Å; L406-L420 HydrophobicContact CD2-CD2 3.85Å; L406-G446 VanDerWaalsContact CD1-C 3.41Å; L406-G446 WeakPolarHBondContact CD1-O 3.04Å; L406-A447 HydrophobicContact CB-CB 4.35Å
407	E	98.2	Very high	98.1	Very high	122 Å²	122	52.1 Å²	52.1	57%	0.57	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.4	174.4	-69.2	179	-176.9	0	0	113.5	A403 K404 L405 A409 R417	A403-E407 PolarHBondContact O-N 3.46Å; K404-E407 WeakPolarHBondContact O-CB 3.47Å; K404-E407 PolarHBondContact O-N 3.28Å; L405-E407 PolarHBondContact O-N 3.16Å; E407-A409 VanDerWaalsContact C-N 3.31Å; E407-R417 VanDerWaalsContact O-CZ 3.24Å; E407-R417 PolarHBondContact O-NH1 3.45Å; E407-R417 PolarHBondContact O-NH2 3.21Å
408	G	96.8	Very high	98.1	Very high	57 Å²	57	56 Å²	56	59%	0.588	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-5.1	174.3	0	0	0	0	0	115	L405 L406 N450	L405-G408 PolarHBondContact O-N 2.8Å; L406-G408 PolarHBondContact O-N 3.14Å; L406-G408 VanDerWaalsContact O-N 3.08Å; G408-N450 WeakPolarHBondContact CA-ND2 3.35Å
409	A	97.7	Very high	98.1	Very high	2 Å²	2	57.5 Å²	57.5	2%	0.017	29%	0.287	C	S	.	.	S	Bend	trans	-88.3	141	174.7	0	0	0	0	0	111.2	L406 E407 I411 C414 R417 N450	L406-A409 HydrophobicContact CD1-CB 3.98Å; L406-A409 WeakPolarHBondContact O-CB 3.38Å; L406-A409 PolarHBondContact O-N 3.42Å; E407-A409 VanDerWaalsContact C-N 3.31Å; A409-I411 PolarHBondContact O-N 3.48Å; A409-C414 HydrophobicContact CB-CB 3.92Å; A409-R417 WeakPolarHBondContact O-CD 3.38Å; A409-R417 PolarHBondContact O-NH1 2.93Å; A409-N450 HydrophobicContact CB-CB 3.93Å; A409-N450 VanDerWaalsContact CB-O 3.31Å; A409-N450 WeakPolarHBondContact CB-O 3.16Å
410	S	97.8	Very high	98.1	Very high	46 Å²	46	58.4 Å²	58.4	32%	0.322	29%	0.291	S	S	.	.			trans	-63.3	128.1	178	155.5	0	0	0	0	111.4	E412 K413 C414	S410-E412 PolarHBondContact O-N 3.24Å; S410-E412 PolarHBondContact OG-N 3.11Å; S410-E412 PolarHBondContact OG-OE2 2.8Å; S410-K413 PolarHBondContact O-N 3.18Å; S410-K413 PolarHBondContact OG-N 3.31Å; S410-C414 WeakPolarHBondContact O-CB 3.49Å; S410-C414 PolarHBondContact O-N 3.12Å
411	I	97.3	Very high	98	Very high	80 Å²	80	56.8 Å²	56.8	41%	0.41	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.3	179.4	-163.3	170.6	0	0	0	112.2	A409 K418	A409-I411 PolarHBondContact O-N 3.48Å; I411-K418 WeakPolarHBondContact O-CB 3.46Å
412	E	96.6	Very high	98	Very high	147 Å²	147	59.1 Å²	59.1	69%	0.687	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-29.4	178.8	-54.9	75.8	-166.2	0	0	112.7	S410	S410-E412 PolarHBondContact O-N 3.24Å; S410-E412 PolarHBondContact OG-N 3.11Å; S410-E412 PolarHBondContact OG-OE2 2.8Å
413	K	95.4	Very high	98	Very high	158 Å²	158	65.3 Å²	65.3	69%	0.687	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-30.3	-174.8	-62.9	-178.1	-178.6	179.3	0	113.8	S410 Y415 I453	S410-K413 PolarHBondContact O-N 3.18Å; S410-K413 PolarHBondContact OG-N 3.31Å; K413-Y415 PolarHBondContact O-N 2.86Å; K413-I453 WeakPolarHBondContact O-CG2 3.44Å
414	C	97.9	Very high	98	Very high	3 Å²	3	65.3 Å²	65.3	2%	0.02	33%	0.329	C	S	.	.			trans	-93.3	99.1	-176.6	-175.7	0	0	0	0	109.8	A409 S410 T416 R417 K418 S452	A409-C414 HydrophobicContact CB-CB 3.92Å; S410-C414 WeakPolarHBondContact O-CB 3.49Å; S410-C414 PolarHBondContact O-N 3.12Å; C414-T416 PolarHBondContact O-N 3.49Å; C414-R417 HydrophobicContact CB-CB 4.18Å; C414-R417 PolarHBondContact O-N 3.43Å; C414-R417 VanDerWaalsContact O-N 3.08Å; C414-K418 WeakPolarHBondContact O-CB 3.21Å; C414-K418 PolarHBondContact O-N 2.91Å; C414-S452 PolarHBondContact SG-O 2.67Å
415	Y	98.4	Very high	98	Very high	54 Å²	54	59.7 Å²	59.7	21%	0.212	31%	0.306	C	S	.	.	H	α-helix	trans	-57.5	-35.8	176.1	-60	-91.4	0	0	0	111.8	K413 R417 K418 Y419 I453 L473 D476 Y477	K413-Y415 PolarHBondContact O-N 2.86Å; Y415-R417 VanDerWaalsContact C-N 3.26Å; Y415-R417 PolarHBondContact O-N 2.97Å; Y415-K418 PolarHBondContact O-N 3.08Å; Y415-Y419 HydrophobicContact CD1-CE2 4.27Å; Y415-Y419 PolarHBondContact O-N 3.43Å; Y415-I453 WeakPolarHBondContact CA-O 3.46Å; Y415-I453 VanDerWaalsContact CB-O 3.31Å; Y415-I453 WeakPolarHBondContact CB-O 3.18Å; Y415-I453 HydrophobicContact CD2-CB 4.29Å; Y415-I453 HydrophobicContact CD2-CD1 4.45Å; Y415-I453 HydrophobicContact CE2-CD1 4.31Å; Y415-I453 PolarHBondContact N-O 3Å; Y415-L473 WeakPolarHBondContact O-CD1 3.5Å; Y415-D476 HydrophobicContact CD1-CB 4.24Å; Y415-D476 WeakPolarHBondContact CD1-OD2 3.48Å; Y415-D476 HydrophobicContact CE1-CB 4.05Å; Y415-D476 VanDerWaalsContact CE1-CG 3.48Å; Y415-D476 WeakPolarHBondContact CE1-OD2 3.31Å; Y415-Y477 AromaticContact CD2-CD2 3.89Å; Y415-Y477 HydrophobicContact CD2-CD2 3.89Å; Y415-Y477 AromaticContact CE2-CD2 3.64Å; Y415-Y477 HydrophobicContact CE2-CD2 3.64Å; Y415-Y477 HydrophobicContact CE2-CE2 4.24Å; Y415-Y477 HydrophobicContact CG-CD2 4.47Å
416	T	98.7	Very high	98	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-52.7	-44.8	175.4	-48.2	0	0	0	0	112	L406 C414 L420 I443 I453 C454 P455 Y469	L406-T416 HydrophobicContact CD1-CG2 4.46Å; L406-T416 HydrophobicContact CD2-CG2 4.08Å; C414-T416 PolarHBondContact O-N 3.49Å; T416-L420 WeakPolarHBondContact O-CB 3.46Å; T416-I443 HydrophobicContact CG2-CB 3.83Å; T416-I443 HydrophobicContact CG2-CG2 3.78Å; T416-I453 PolarHBondContact N-O 3.12Å; T416-I453 PolarHBondContact OG1-O 3.14Å; T416-C454 VanDerWaalsContact OG1-CA 3.28Å; T416-C454 WeakPolarHBondContact OG1-CA 3.28Å; T416-C454 PolarHBondContact OG1-N 2.91Å; T416-P455 HydrophobicContact CG2-CB 4.25Å; T416-P455 WeakPolarHBondContact OG1-CD 3.24Å; T416-P455 VanDerWaalsContact OG1-N 3.13Å; T416-Y469 VanDerWaalsContact CA-OH 3.29Å; T416-Y469 WeakPolarHBondContact CA-OH 3.47Å; T416-Y469 WeakPolarHBondContact CG2-OH 3.33Å; T416-Y469 PolarHBondContact O-OH 2.83Å
417	R	98.6	Very high	98.1	Very high	74 Å²	74	72 Å²	72	28%	0.279	36%	0.357	S	S	.	.	H	α-helix	trans	-79.4	-45.1	178.8	-173.3	-174.4	177.6	-179.7	6.6	111.9	L406 E407 A409 C414 Y415 Y419 L420	L406-R417 HydrophobicContact CD1-CB 4.4Å; L406-R417 HydrophobicContact CD2-CB 3.95Å; L406-R417 HydrophobicContact CD2-CG 4.36Å; L406-R417 HydrophobicContact CG-CB 3.91Å; L406-R417 HydrophobicContact CG-CG 4.18Å; L406-R417 WeakPolarHBondContact O-CD 3.29Å; E407-R417 VanDerWaalsContact O-CZ 3.24Å; E407-R417 PolarHBondContact O-NH1 3.45Å; E407-R417 PolarHBondContact O-NH2 3.21Å; A409-R417 WeakPolarHBondContact O-CD 3.38Å; A409-R417 PolarHBondContact O-NH1 2.93Å; C414-R417 HydrophobicContact CB-CB 4.18Å; C414-R417 PolarHBondContact O-N 3.43Å; C414-R417 VanDerWaalsContact O-N 3.08Å; Y415-R417 VanDerWaalsContact C-N 3.26Å; Y415-R417 PolarHBondContact O-N 2.97Å; R417-Y419 PolarHBondContact O-N 2.93Å; R417-Y419 VanDerWaalsContact O-N 3.16Å; R417-L420 PolarHBondContact O-N 3.37Å
418	K	98.7	Very high	98.1	Very high	80 Å²	80	66.4 Å²	66.4	35%	0.348	33%	0.331	S	S	.	.	H	α-helix	trans	-51.2	-41.4	-173.9	-174.5	177.4	174.6	-174.6	0	112.9	I411 C414 Y415 D476	I411-K418 WeakPolarHBondContact O-CB 3.46Å; C414-K418 WeakPolarHBondContact O-CB 3.21Å; C414-K418 PolarHBondContact O-N 2.91Å; Y415-K418 PolarHBondContact O-N 3.08Å; K418-D476 IonicContact NZ-OD1 2.89Å; K418-D476 IonicContact NZ-OD2 2.67Å; K418-D476 PolarHBondContact NZ-OD2 2.79Å
419	Y	98.6	Very high	98.2	Very high	47 Å²	47	66.6 Å²	66.6	18%	0.184	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.8	-177.5	-68.6	-75.2	0	0	0	114.1	Y415 R417 T421 Y469 P472 L473 D476	Y415-Y419 HydrophobicContact CD1-CE2 4.27Å; Y415-Y419 PolarHBondContact O-N 3.43Å; R417-Y419 PolarHBondContact O-N 2.93Å; R417-Y419 VanDerWaalsContact O-N 3.16Å; Y419-T421 PolarHBondContact O-N 2.98Å; Y419-Y469 WeakPolarHBondContact O-CD2 3.21Å; Y419-P472 HydrophobicContact CD1-CB 3.73Å; Y419-P472 HydrophobicContact CD1-CG 3.76Å; Y419-P472 HydrophobicContact CE1-CB 3.58Å; Y419-P472 HydrophobicContact CE1-CG 4.16Å; Y419-P472 HydrophobicContact CG-CG 4.47Å; Y419-L473 HydrophobicContact CD2-CB 3.69Å; Y419-L473 HydrophobicContact CD2-CD1 4.4Å; Y419-L473 HydrophobicContact CD2-CG 4.16Å; Y419-L473 HydrophobicContact CE2-CB 4.28Å; Y419-L473 HydrophobicContact CG-CB 4.06Å; Y419-D476 HydrophobicContact CE2-CB 3.89Å; Y419-D476 WeakPolarHBondContact CE2-OD2 3.29Å; Y419-D476 WeakPolarHBondContact OH-CB 3.14Å; Y419-D476 PolarHBondContact OH-OD2 3.13Å
420	L	98.7	Very high	98.1	Very high	18 Å²	18	68.9 Å²	68.9	9%	0.094	34%	0.343	C	S	.	.			trans	-86.1	65.2	176.9	-167.6	71.7	0	0	0	110.4	L399 A403 L406 T416 R417 I424 I425 L439 I443 Y469	L399-L420 HydrophobicContact CD1-CD1 4.41Å; A403-L420 HydrophobicContact CB-CD2 4.01Å; L406-L420 HydrophobicContact CD2-CD2 3.85Å; T416-L420 WeakPolarHBondContact O-CB 3.46Å; R417-L420 PolarHBondContact O-N 3.37Å; L420-I424 HydrophobicContact CD1-CG2 4.09Å; L420-I425 HydrophobicContact CD1-CG1 4.07Å; L420-I425 HydrophobicContact CD2-CD1 4.45Å; L420-I425 HydrophobicContact CG-CD1 4.17Å; L420-I425 HydrophobicContact CG-CG1 3.92Å; L420-L439 HydrophobicContact CD1-CD1 4.41Å; L420-L439 HydrophobicContact CD1-CD2 3.78Å; L420-L439 HydrophobicContact CD1-CG 4.18Å; L420-I443 HydrophobicContact CD1-CG2 4.43Å; L420-I443 HydrophobicContact CD2-CD1 3.59Å; L420-I443 HydrophobicContact CD2-CG2 4.49Å; L420-Y469 HydrophobicContact CB-CE2 4.09Å; L420-Y469 HydrophobicContact CD1-CD2 4.45Å; L420-Y469 HydrophobicContact CD1-CE2 4.21Å
421	T	98.4	Very high	98.1	Very high	48 Å²	48	70.9 Å²	70.9	29%	0.294	35%	0.345	S	S	.	.			trans	-73	162	-178.4	81.3	0	0	0	0	111.7	Y419 E423 I424 I425	Y419-T421 PolarHBondContact O-N 2.98Å; T421-E423 WeakPolarHBondContact CB-OE2 3.41Å; T421-E423 PolarHBondContact O-N 3.43Å; T421-E423 PolarHBondContact OG1-N 3.15Å; T421-E423 PolarHBondContact OG1-OE2 2.87Å; T421-I424 WeakPolarHBondContact O-CB 3.27Å; T421-I424 PolarHBondContact O-N 2.93Å; T421-I424 PolarHBondContact OG1-N 3.17Å; T421-I425 WeakPolarHBondContact O-CG1 3.49Å; T421-I425 PolarHBondContact O-N 3.27Å
422	P	98.3	Very high	98.2	Very high	97 Å²	97	70.1 Å²	70.1	63%	0.63	34%	0.337	S	S	*	.	H	α-helix	trans	-53.6	-36	173	-27.5	36.9	0	0	0	113.6	I425 K426	P422-I425 PolarHBondContact O-N 3.21Å; P422-K426 WeakPolarHBondContact O-CB 3.12Å; P422-K426 PolarHBondContact O-N 2.87Å
423	E	98.5	Very high	98.3	Very high	131 Å²	131	63.5 Å²	63.5	61%	0.612	31%	0.307	S	S	*	.	H	α-helix	trans	-66.6	-41.2	176.8	-58.3	69.7	-148.3	0	0	111.5	T421 K426 K427	T421-E423 WeakPolarHBondContact CB-OE2 3.41Å; T421-E423 PolarHBondContact O-N 3.43Å; T421-E423 PolarHBondContact OG1-N 3.15Å; T421-E423 PolarHBondContact OG1-OE2 2.87Å; E423-K426 PolarHBondContact O-N 3.08Å; E423-K427 VanDerWaalsContact O-CB 3.29Å; E423-K427 WeakPolarHBondContact O-CB 3.01Å; E423-K427 PolarHBondContact O-N 2.86Å
424	I	98.8	Very high	98.4	Very high	16 Å²	16	61.4 Å²	61.4	8%	0.082	31%	0.307	C	S	.	.	H	α-helix	trans	-65.2	-44.2	175.9	-69.2	-63.9	0	0	0	111	L420 T421 K427 Y428 L439 D468 Y469	L420-I424 HydrophobicContact CD1-CG2 4.09Å; T421-I424 WeakPolarHBondContact O-CB 3.27Å; T421-I424 PolarHBondContact O-N 2.93Å; T421-I424 PolarHBondContact OG1-N 3.17Å; I424-K427 PolarHBondContact O-N 2.96Å; I424-Y428 HydrophobicContact CD1-CE2 4.2Å; I424-Y428 HydrophobicContact CG2-CD2 4.03Å; I424-Y428 PolarHBondContact O-N 3.28Å; I424-L439 HydrophobicContact CG2-CD2 3.81Å; I424-D468 HydrophobicContact CD1-CB 3.66Å; I424-D468 WeakPolarHBondContact CD1-O 3.14Å; I424-Y469 HydrophobicContact CG2-CD2 3.99Å; I424-Y469 HydrophobicContact CG2-CG 4.28Å
425	I	98.7	Very high	98.4	Very high	33 Å²	33	66 Å²	66	17%	0.169	33%	0.328	C	S	.	.	H	α-helix	trans	-59.8	-52.1	175.3	-65.8	170.6	0	0	0	109.5	L399 T400 A403 L420 T421 P422 K427 Y428 D429	L399-I425 HydrophobicContact CD2-CB 4.36Å; L399-I425 HydrophobicContact CD2-CG1 4.4Å; L399-I425 HydrophobicContact CD2-CG2 4.07Å; L399-I425 HydrophobicContact CG-CG2 4.38Å; T400-I425 HydrophobicContact CG2-CG2 4.03Å; A403-I425 HydrophobicContact CB-CD1 3.89Å; L420-I425 HydrophobicContact CD1-CG1 4.07Å; L420-I425 HydrophobicContact CD2-CD1 4.45Å; L420-I425 HydrophobicContact CG-CD1 4.17Å; L420-I425 HydrophobicContact CG-CG1 3.92Å; T421-I425 WeakPolarHBondContact O-CG1 3.49Å; T421-I425 PolarHBondContact O-N 3.27Å; P422-I425 PolarHBondContact O-N 3.21Å; I425-K427 PolarHBondContact O-N 3.28Å; I425-Y428 PolarHBondContact O-N 3.02Å; I425-D429 VanDerWaalsContact O-CB 3.31Å; I425-D429 WeakPolarHBondContact O-CB 3.29Å; I425-D429 PolarHBondContact O-N 2.96Å
426	K	98.6	Very high	98.4	Very high	186 Å²	186	63.6 Å²	63.6	81%	0.809	32%	0.32	S	S	*	.	H	α-helix	trans	-57.5	-37	179	-177.9	179.1	177.9	-179.3	0	112.7	P422 E423	P422-K426 WeakPolarHBondContact O-CB 3.12Å; P422-K426 PolarHBondContact O-N 2.87Å; E423-K426 PolarHBondContact O-N 3.08Å
427	K	98.6	Very high	98.4	Very high	113 Å²	113	63.6 Å²	63.6	49%	0.491	32%	0.32	S	S	.	.	H	α-helix	trans	-74.6	-36.4	-178.5	-178	172.7	178.2	170.7	0	113.1	E423 I424 I425 D468	E423-K427 VanDerWaalsContact O-CB 3.29Å; E423-K427 WeakPolarHBondContact O-CB 3.01Å; E423-K427 PolarHBondContact O-N 2.86Å; I424-K427 PolarHBondContact O-N 2.96Å; I425-K427 PolarHBondContact O-N 3.28Å; K427-D468 VanDerWaalsContact NZ-CG 3.3Å; K427-D468 IonicContact NZ-OD1 3.51Å; K427-D468 PolarHBondContact NZ-OD1 2.83Å; K427-D468 IonicContact NZ-OD2 3.58Å; K427-D468 PolarHBondContact NZ-OD2 3.11Å
428	Y	98.8	Very high	98.4	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-115.8	-5.4	-167.4	-66.3	-45.8	0	0	0	115.6	I424 I425 G430 K431 L439 T465 F466 D468	I424-Y428 HydrophobicContact CD1-CE2 4.2Å; I424-Y428 HydrophobicContact CG2-CD2 4.03Å; I424-Y428 PolarHBondContact O-N 3.28Å; I425-Y428 PolarHBondContact O-N 3.02Å; Y428-G430 PolarHBondContact O-N 3.01Å; Y428-K431 HydrophobicContact CD1-CD 3.69Å; Y428-K431 HydrophobicContact CE1-CD 4.11Å; Y428-K431 WeakPolarHBondContact O-CB 3.49Å; Y428-K431 PolarHBondContact O-N 3.44Å; Y428-K431 VanDerWaalsContact O-N 3.11Å; Y428-L439 HydrophobicContact CD2-CD2 4.06Å; Y428-L439 HydrophobicContact CG-CD2 4.35Å; Y428-T465 WeakPolarHBondContact CE1-O 3.08Å; Y428-F466 AromaticContact CD1-CD1 3.75Å; Y428-F466 HydrophobicContact CD1-CD1 3.75Å; Y428-F466 HydrophobicContact CD1-CE1 4.24Å; Y428-F466 HydrophobicContact CD2-CD1 4.14Å; Y428-F466 HydrophobicContact CE1-CD1 4.22Å; Y428-F466 HydrophobicContact CE2-CB 4.49Å; Y428-F466 AromaticContact CG-CD1 3.72Å; Y428-F466 HydrophobicContact CG-CD1 3.72Å; Y428-F466 HydrophobicContact CG-CE1 4.31Å; Y428-D468 HydrophobicContact CE2-CB 3.96Å; Y428-D468 WeakPolarHBondContact OH-CB 3.39Å; Y428-D468 VanDerWaalsContact OH-CG 3.29Å; Y428-D468 PolarHBondContact OH-N 3.09Å; Y428-D468 PolarHBondContact OH-OD1 2.87Å
429	D	98.5	Very high	98.4	Very high	62 Å²	62	56.4 Å²	56.4	33%	0.332	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	131.9	172.7	-159.6	4.3	0	0	0	111.1	Y385 L399 I425 K431	Y385-D429 WeakPolarHBondContact CE2-OD1 3.32Å; Y385-D429 VanDerWaalsContact CZ-OD1 3.31Å; Y385-D429 PolarHBondContact OH-OD1 3.3Å; L399-D429 HydrophobicContact CB-CB 4.43Å; L399-D429 WeakPolarHBondContact CB-OD1 3.24Å; L399-D429 HydrophobicContact CD2-CB 3.94Å; I425-D429 VanDerWaalsContact O-CB 3.31Å; I425-D429 WeakPolarHBondContact O-CB 3.29Å; I425-D429 PolarHBondContact O-N 2.96Å; D429-K431 PolarHBondContact O-N 3.5Å
430	G	95.6	Very high	98.4	Very high	50 Å²	50	54.1 Å²	54.1	52%	0.515	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	-10.3	-174.9	0	0	0	0	0	115.5	Y385 Y428	Y385-G430 PolarHBondContact OH-N 3.29Å; Y428-G430 PolarHBondContact O-N 3.01Å
431	K	98.4	Very high	98.4	Very high	87 Å²	87	53.6 Å²	53.6	38%	0.378	28%	0.279	S	S	.	.			trans	-74.3	133.1	177.5	-168.8	-178.3	-173.2	-166.9	0	110.7	Y428 D429 T465 F466	Y428-K431 HydrophobicContact CD1-CD 3.69Å; Y428-K431 HydrophobicContact CE1-CD 4.11Å; Y428-K431 WeakPolarHBondContact O-CB 3.49Å; Y428-K431 PolarHBondContact O-N 3.44Å; Y428-K431 VanDerWaalsContact O-N 3.11Å; D429-K431 PolarHBondContact O-N 3.5Å; K431-T465 HydrophobicContact CD-CG2 4.1Å; K431-T465 HydrophobicContact CG-CG2 4.43Å; K431-T465 PolarHBondContact NZ-O 3.11Å; K431-F466 HydrophobicContact CB-CE1 4.15Å; K431-F466 HydrophobicContact CD-CE1 4.26Å; K431-F466 HydrophobicContact CG-CE1 4.29Å
432	R	98.7	Very high	98.4	Very high	65 Å²	65	51.3 Å²	51.3	25%	0.245	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-115.7	151.5	172.8	-50.5	-159	163.9	-114.1	0.8	110.9	Y385 N386 G436 A437 T438	Y385-R432 PolarHBondContact O-NH2 3.16Å; N386-R432 PolarHBondContact OD1-NH2 3.41Å; R432-G436 PolarHBondContact NH1-O 3.35Å; R432-A437 CarbonylContact C-O 3.51Å; R432-A437 WeakPolarHBondContact CA-O 3.37Å; R432-T438 HydrophobicContact CB-CG2 4.42Å; R432-T438 HydrophobicContact CG-CG2 3.78Å
433	T	98.7	Very high	98.5	Very high	8 Å²	8	46.7 Å²	46.7	5%	0.049	24%	0.235	C	C	.	.			trans	-68.2	173.4	160.2	52.5	0	0	0	0	110.5	H435 G436 A437 E459 E461 T465 F466	T433-H435 PolarHBondContact O-N 3.16Å; T433-G436 PolarHBondContact O-N 3.33Å; T433-G436 VanDerWaalsContact O-N 3.14Å; T433-G436 PolarHBondContact OG1-N 3.33Å; T433-A437 HydrophobicContact CG2-CB 4.05Å; T433-A437 PolarHBondContact N-O 3.22Å; T433-A437 WeakPolarHBondContact OG1-CA 3.17Å; T433-A437 VanDerWaalsContact OG1-CB 3.29Å; T433-A437 WeakPolarHBondContact OG1-CB 3.23Å; T433-A437 PolarHBondContact OG1-N 3.04Å; T433-A437 PolarHBondContact OG1-O 3.23Å; T433-E459 WeakPolarHBondContact CB-OE1 3.43Å; T433-E459 HydrophobicContact CG2-CG 4.29Å; T433-E459 PolarHBondContact OG1-OE1 2.91Å; T433-E461 WeakPolarHBondContact CA-OE1 3.36Å; T433-E461 WeakPolarHBondContact CB-OE1 3.43Å; T433-E461 HydrophobicContact CG2-CB 4.12Å; T433-E461 HydrophobicContact CG2-CG 4.37Å; T433-T465 HydrophobicContact CG2-CG2 4.01Å; T433-F466 HydrophobicContact CG2-CE2 3.88Å
434	T	98.3	Very high	98.5	Very high	113 Å²	113	40.5 Å²	40.5	69%	0.693	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-37.4	177.1	-50.2	0	0	0	0	112.5	E461	T434-E461 WeakPolarHBondContact CB-OE2 3.17Å; T434-E461 PolarHBondContact N-OE1 3.39Å; T434-E461 PolarHBondContact N-OE2 2.94Å; T434-E461 VanDerWaalsContact N-OE2 3.14Å; T434-E461 PolarHBondContact OG1-OE2 3.02Å
435	H	98.1	Very high	98.5	Very high	99 Å²	99	39.7 Å²	39.7	46%	0.458	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	12.8	-177	-46.3	103.3	0	0	0	113.9	T433 E459 L525	T433-H435 PolarHBondContact O-N 3.16Å; H435-E459 WeakPolarHBondContact CB-OE1 3.29Å; H435-E459 IonicContact CE1-OE2 3.79Å; H435-E459 IonicContact CG-OE2 3.4Å; H435-E459 IonicContact ND1-OE1 3.35Å; H435-E459 IonicContact ND1-OE2 2.67Å; H435-E459 PolarHBondContact ND1-OE2 3.15Å; H435-L525 HydrophobicContact CB-CD2 3.64Å; H435-L525 HydrophobicContact CB-CG 4.3Å
436	G	98	Very high	98.5	Very high	4 Å²	4	38.1 Å²	38.1	4%	0.041	19%	0.194	C	C	.	.	S	Bend	trans	101	1.4	163.7	0	0	0	0	0	117.2	R432 T433	R432-G436 PolarHBondContact NH1-O 3.35Å; T433-G436 PolarHBondContact O-N 3.33Å; T433-G436 VanDerWaalsContact O-N 3.14Å; T433-G436 PolarHBondContact OG1-N 3.33Å
437	A	98.8	Very high	98.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.			trans	-65.8	149.3	172.5	0	0	0	0	0	111.8	R432 T433 E459 I529	R432-A437 CarbonylContact C-O 3.51Å; R432-A437 WeakPolarHBondContact CA-O 3.37Å; T433-A437 HydrophobicContact CG2-CB 4.05Å; T433-A437 PolarHBondContact N-O 3.22Å; T433-A437 WeakPolarHBondContact OG1-CA 3.17Å; T433-A437 VanDerWaalsContact OG1-CB 3.29Å; T433-A437 WeakPolarHBondContact OG1-CB 3.23Å; T433-A437 PolarHBondContact OG1-N 3.04Å; T433-A437 PolarHBondContact OG1-O 3.23Å; A437-E459 HydrophobicContact CB-CG 4.14Å; A437-I529 HydrophobicContact CB-CD1 3.52Å
438	T	98.9	Very high	98.5	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.012	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-134.7	164.9	-178.4	73.1	0	0	0	0	111.3	R432 A440 H441	R432-T438 HydrophobicContact CB-CG2 4.42Å; R432-T438 HydrophobicContact CG-CG2 3.78Å; T438-A440 PolarHBondContact O-N 2.95Å; T438-A440 WeakPolarHBondContact OG1-CB 3.42Å; T438-A440 PolarHBondContact OG1-N 3.08Å; T438-H441 PolarHBondContact N-ND1 2.91Å; T438-H441 WeakPolarHBondContact O-CB 3.37Å; T438-H441 PolarHBondContact O-N 3.34Å; T438-H441 PolarHBondContact OG1-N 3.42Å; T438-H441 VanDerWaalsContact OG1-N 3.17Å; T438-H441 PolarHBondContact OG1-ND1 3.45Å
439	L	98.9	Very high	98.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-33.3	169.6	-177.3	56.7	0	0	0	111.9	L399 L420 I424 Y428 H441 M442 I443 F466 Y469	L399-L439 HydrophobicContact CD1-CB 4.3Å; L399-L439 HydrophobicContact CD1-CD2 4.27Å; L399-L439 HydrophobicContact CD1-CG 3.9Å; L399-L439 HydrophobicContact CD2-CB 4.36Å; L399-L439 HydrophobicContact CD2-CD2 3.87Å; L399-L439 HydrophobicContact CD2-CG 4.24Å; L420-L439 HydrophobicContact CD1-CD1 4.41Å; L420-L439 HydrophobicContact CD1-CD2 3.78Å; L420-L439 HydrophobicContact CD1-CG 4.18Å; I424-L439 HydrophobicContact CG2-CD2 3.81Å; Y428-L439 HydrophobicContact CD2-CD2 4.06Å; Y428-L439 HydrophobicContact CG-CD2 4.35Å; L439-H441 PolarHBondContact O-N 3.01Å; L439-M442 HydrophobicContact CD1-CE 4.4Å; L439-M442 HydrophobicContact CD1-CG 3.83Å; L439-M442 HydrophobicContact CD1-SD 3.66Å; L439-M442 VanDerWaalsContact O-CG 3.29Å; L439-M442 WeakPolarHBondContact O-CG 3.39Å; L439-M442 PolarHBondContact O-N 3.08Å; L439-I443 HydrophobicContact CD1-CG2 4.22Å; L439-I443 PolarHBondContact O-N 3.29Å; L439-F466 HydrophobicContact CB-CD1 4.13Å; L439-F466 HydrophobicContact CB-CE1 4.12Å; L439-Y469 HydrophobicContact CD1-CD1 3.36Å; L439-Y469 HydrophobicContact CD1-CD2 4.42Å; L439-Y469 HydrophobicContact CD1-CE1 3.6Å; L439-Y469 HydrophobicContact CD1-CG 3.81Å
440	A	98.9	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.9	-44.3	176.3	0	0	0	0	0	111.7	Y385 V396 L399 L402 T438 M442 I443 R444	Y385-A440 HydrophobicContact CE1-CB 4.01Å; V396-A440 HydrophobicContact CG1-CB 4.01Å; V396-A440 HydrophobicContact CG2-CB 3.85Å; L399-A440 HydrophobicContact CB-CB 4.13Å; L399-A440 HydrophobicContact CD1-CB 4.29Å; L402-A440 HydrophobicContact CD1-CB 4.09Å; L402-A440 VanDerWaalsContact CD1-O 3.25Å; L402-A440 WeakPolarHBondContact CD1-O 3.48Å; T438-A440 PolarHBondContact O-N 2.95Å; T438-A440 WeakPolarHBondContact OG1-CB 3.42Å; T438-A440 PolarHBondContact OG1-N 3.08Å; A440-M442 VanDerWaalsContact C-N 3.29Å; A440-M442 PolarHBondContact O-N 2.88Å; A440-I443 WeakPolarHBondContact O-CG1 3.36Å; A440-I443 PolarHBondContact O-N 2.65Å; A440-R444 PolarHBondContact O-N 2.74Å
441	H	98.9	Very high	98.5	Very high	6 Å²	6	36 Å²	36	3%	0.028	17%	0.165	C	C	.	.	H	α-helix	trans	-54.3	-47.1	177	-70	109.5	0	0	0	111.8	M394 V396 T438 L439 I443 R444 I529	M394-H441 PolarHBondContact O-NE2 3.13Å; V396-H441 WeakPolarHBondContact CG1-NE2 3.31Å; T438-H441 PolarHBondContact N-ND1 2.91Å; T438-H441 WeakPolarHBondContact O-CB 3.37Å; T438-H441 PolarHBondContact O-N 3.34Å; T438-H441 PolarHBondContact OG1-N 3.42Å; T438-H441 VanDerWaalsContact OG1-N 3.17Å; T438-H441 PolarHBondContact OG1-ND1 3.45Å; L439-H441 PolarHBondContact O-N 3.01Å; H441-I443 PolarHBondContact O-N 3.22Å; H441-R444 WeakPolarHBondContact O-CB 3.24Å; H441-R444 PolarHBondContact O-N 2.75Å; H441-I529 HydrophobicContact CB-CG2 4.16Å
442	M	98.8	Very high	98.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-76.9	-21.5	-170	71.9	179.3	71.7	0	0	114.8	L439 A440 N445 P455 R456 T457 C462 F466 Y469 L470	L439-M442 HydrophobicContact CD1-CE 4.4Å; L439-M442 HydrophobicContact CD1-CG 3.83Å; L439-M442 HydrophobicContact CD1-SD 3.66Å; L439-M442 VanDerWaalsContact O-CG 3.29Å; L439-M442 WeakPolarHBondContact O-CG 3.39Å; L439-M442 PolarHBondContact O-N 3.08Å; A440-M442 VanDerWaalsContact C-N 3.29Å; A440-M442 PolarHBondContact O-N 2.88Å; M442-N445 PolarHBondContact O-OD1 2.88Å; M442-N445 VanDerWaalsContact O-OD1 3.13Å; M442-P455 HydrophobicContact CB-CB 4.14Å; M442-P455 HydrophobicContact CG-CB 4.23Å; M442-P455 CarbonylContact O-C 3.53Å; M442-P455 WeakPolarHBondContact O-CA 3.43Å; M442-P455 WeakPolarHBondContact O-CB 3.47Å; M442-R456 WeakPolarHBondContact CA-O 3.4Å; M442-R456 VanDerWaalsContact CB-O 3.27Å; M442-R456 WeakPolarHBondContact CB-O 3.41Å; M442-R456 PolarHBondContact O-N 3.23Å; M442-T457 HydrophobicContact SD-CG2 4.49Å; M442-C462 HydrophobicContact CE-CB 4.01Å; M442-F466 HydrophobicContact CE-CB 4.32Å; M442-F466 HydrophobicContact CE-CD2 3.41Å; M442-F466 VanDerWaalsContact CE-CD2 3.41Å; M442-F466 HydrophobicContact CE-CE2 3.95Å; M442-F466 HydrophobicContact CE-CG 4.02Å; M442-Y469 HydrophobicContact CG-CE1 4.31Å; M442-Y469 HydrophobicContact SD-CD1 3.82Å; M442-Y469 HydrophobicContact SD-CE1 3.7Å; M442-L470 HydrophobicContact CE-CD1 4.41Å; M442-L470 HydrophobicContact SD-CD1 4.27Å; M442-L470 HydrophobicContact SD-CD2 4Å; M442-L470 HydrophobicContact SD-CG 4.25Å
443	I	98.9	Very high	98.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-90.6	-12.8	176.1	70.5	166	0	0	0	113	L399 L402 T416 L420 L439 A440 H441 N445 G446 A447 Y469	L399-I443 HydrophobicContact CD1-CD1 3.56Å; L399-I443 HydrophobicContact CD1-CG1 4.29Å; L402-I443 HydrophobicContact CB-CD1 3.84Å; L402-I443 HydrophobicContact CB-CG1 4.15Å; L402-I443 HydrophobicContact CD1-CG1 4.36Å; T416-I443 HydrophobicContact CG2-CB 3.83Å; T416-I443 HydrophobicContact CG2-CG2 3.78Å; L420-I443 HydrophobicContact CD1-CG2 4.43Å; L420-I443 HydrophobicContact CD2-CD1 3.59Å; L420-I443 HydrophobicContact CD2-CG2 4.49Å; L439-I443 HydrophobicContact CD1-CG2 4.22Å; L439-I443 PolarHBondContact O-N 3.29Å; A440-I443 WeakPolarHBondContact O-CG1 3.36Å; A440-I443 PolarHBondContact O-N 2.65Å; H441-I443 PolarHBondContact O-N 3.22Å; I443-N445 VanDerWaalsContact C-N 3.27Å; I443-N445 PolarHBondContact O-N 3.46Å; I443-G446 PolarHBondContact O-N 2.86Å; I443-A447 PolarHBondContact O-N 2.64Å; I443-Y469 HydrophobicContact CG2-CE1 4.48Å
444	R	98.9	Very high	98.3	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-56	-39.8	-171	-167.2	-179.6	-173.4	-80.7	-7.8	112.9	N322 M394 E397 L402 A440 H441 G446 A447 Y448 D587	N322-R444 PolarHBondContact OD1-NH1 3.37Å; N322-R444 PolarHBondContact OD1-NH2 3.08Å; M394-R444 VanDerWaalsContact CE-CD 3.48Å; E397-R444 IonicContact OE1-CZ 2.81Å; E397-R444 IonicContact OE1-NE 3.76Å; E397-R444 PolarHBondContact OE1-NE 2.82Å; E397-R444 IonicContact OE1-NH2 2.92Å; E397-R444 PolarHBondContact OE1-NH2 3.39Å; E397-R444 WeakPolarHBondContact OE2-CD 3.38Å; E397-R444 IonicContact OE2-CZ 3.13Å; E397-R444 IonicContact OE2-NE 3.96Å; E397-R444 PolarHBondContact OE2-NE 3.44Å; E397-R444 IonicContact OE2-NH2 2.68Å; L402-R444 HydrophobicContact CD1-CB 4.02Å; L402-R444 HydrophobicContact CD1-CG 4.11Å; L402-R444 HydrophobicContact CD2-CG 4.16Å; A440-R444 PolarHBondContact O-N 2.74Å; H441-R444 WeakPolarHBondContact O-CB 3.24Å; H441-R444 PolarHBondContact O-N 2.75Å; R444-G446 VanDerWaalsContact C-N 3.34Å; R444-G446 PolarHBondContact O-N 3.07Å; R444-A447 PolarHBondContact O-N 2.7Å; R444-Y448 HydrophobicContact CG-CD2 3.95Å; R444-Y448 HydrophobicContact CG-CE2 4.02Å; R444-Y448 WeakPolarHBondContact O-CD2 3.44Å; R444-Y448 PolarHBondContact O-N 3.24Å; R444-Y448 VanDerWaalsContact O-N 3.17Å; R444-D587 WeakPolarHBondContact CD-O 3.31Å; R444-D587 WeakPolarHBondContact CG-O 3.35Å; R444-D587 PolarHBondContact NH1-O 2.88Å
445	N	98.8	Very high	98.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.6	-44.4	176.7	74.9	-60	0	0	0	111.8	M442 I443 N449 S452 C454 R456 V584 A588	M442-N445 PolarHBondContact O-OD1 2.88Å; M442-N445 VanDerWaalsContact O-OD1 3.13Å; I443-N445 VanDerWaalsContact C-N 3.27Å; I443-N445 PolarHBondContact O-N 3.46Å; N445-N449 WeakPolarHBondContact O-CA 3.23Å; N445-N449 VanDerWaalsContact O-CB 3.24Å; N445-N449 WeakPolarHBondContact O-CB 3.48Å; N445-N449 PolarHBondContact O-N 2.81Å; N445-N449 PolarHBondContact O-ND2 3.24Å; N445-N449 VanDerWaalsContact O-ND2 3.15Å; N445-S452 PolarHBondContact ND2-OG 3.19Å; N445-S452 VanDerWaalsContact ND2-OG 3.15Å; N445-C454 PolarHBondContact ND2-O 3.49Å; N445-R456 HydrophobicContact CB-CG 4.44Å; N445-V584 HydrophobicContact CB-CG1 4.06Å; N445-V584 WeakPolarHBondContact CB-O 3.49Å; N445-A588 HydrophobicContact CB-CB 3.98Å
446	G	98.5	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-70.4	-35.1	177.8	0	0	0	0	0	112.8	L406 I443 R444 Y448 N449 N450	L406-G446 VanDerWaalsContact CD1-C 3.41Å; L406-G446 WeakPolarHBondContact CD1-O 3.04Å; I443-G446 PolarHBondContact O-N 2.86Å; R444-G446 VanDerWaalsContact C-N 3.34Å; R444-G446 PolarHBondContact O-N 3.07Å; G446-Y448 PolarHBondContact O-N 3.1Å; G446-N449 CarbonylContact O-C 3.52Å; G446-N449 VanDerWaalsContact O-C 3.26Å; G446-N449 PolarHBondContact O-N 3.21Å; G446-N450 WeakPolarHBondContact O-CA 3.05Å; G446-N450 PolarHBondContact O-N 3.17Å; G446-N450 PolarHBondContact O-OD1 2.69Å
447	A	98.7	Very high	98.4	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.017	11%	0.105	C	C	.	.	H	α-helix	trans	-65.7	-35.9	179.5	0	0	0	0	0	112.9	L402 L405 L406 I443 R444 N450	L402-A447 HydrophobicContact CB-CB 4.05Å; L402-A447 HydrophobicContact CD2-CB 4.03Å; L402-A447 WeakPolarHBondContact O-CB 3.31Å; L405-A447 HydrophobicContact CB-CB 4.13Å; L405-A447 WeakPolarHBondContact CB-O 3.29Å; L406-A447 HydrophobicContact CB-CB 4.35Å; I443-A447 PolarHBondContact O-N 2.64Å; R444-A447 PolarHBondContact O-N 2.7Å; A447-N450 PolarHBondContact O-OD1 2.94Å
448	Y	98.5	Very high	98.4	Very high	40 Å²	40	23.9 Å²	23.9	16%	0.157	11%	0.106	C	C	.	.	H	α-helix	trans	-92.3	-22.8	175.7	-73.7	-76.9	0	0	0	113.4	N322 I326 E397 L402 L405 R444 G446 D587	N322-Y448 VanDerWaalsContact ND2-CD1 3.27Å; N322-Y448 WeakPolarHBondContact ND2-CD1 3.17Å; N322-Y448 VanDerWaalsContact ND2-CG 3.31Å; I326-Y448 HydrophobicContact CD1-CE1 4.12Å; I326-Y448 HydrophobicContact CG1-CE1 3.79Å; E397-Y448 PolarHBondContact OE1-OH 2.81Å; L402-Y448 HydrophobicContact CD2-CD2 4.42Å; L402-Y448 HydrophobicContact CD2-CE2 3.7Å; L405-Y448 HydrophobicContact CD1-CD1 4.34Å; L405-Y448 HydrophobicContact CD1-CE1 3.75Å; L405-Y448 HydrophobicContact CD1-CE2 4.23Å; R444-Y448 HydrophobicContact CG-CD2 3.95Å; R444-Y448 HydrophobicContact CG-CE2 4.02Å; R444-Y448 WeakPolarHBondContact O-CD2 3.44Å; R444-Y448 PolarHBondContact O-N 3.24Å; R444-Y448 VanDerWaalsContact O-N 3.17Å; G446-Y448 PolarHBondContact O-N 3.1Å; Y448-D587 VanDerWaalsContact CB-OD2 3.29Å; Y448-D587 WeakPolarHBondContact CB-OD2 3.31Å
449	N	98.3	Very high	98.4	Very high	31 Å²	31	24.3 Å²	24.3	17%	0.166	11%	0.108	C	C	.	.			trans	-125.4	78.3	-180	-56	-87.6	0	0	0	110.2	N445 G446 R451 S452 P583 V584 D587	N445-N449 WeakPolarHBondContact O-CA 3.23Å; N445-N449 VanDerWaalsContact O-CB 3.24Å; N445-N449 WeakPolarHBondContact O-CB 3.48Å; N445-N449 PolarHBondContact O-N 2.81Å; N445-N449 PolarHBondContact O-ND2 3.24Å; N445-N449 VanDerWaalsContact O-ND2 3.15Å; G446-N449 CarbonylContact O-C 3.52Å; G446-N449 VanDerWaalsContact O-C 3.26Å; G446-N449 PolarHBondContact O-N 3.21Å; N449-R451 PolarHBondContact O-N 3.35Å; N449-S452 VanDerWaalsContact O-CB 3.25Å; N449-S452 WeakPolarHBondContact O-CB 3.43Å; N449-S452 PolarHBondContact O-N 3.04Å; N449-P583 PolarHBondContact ND2-O 3.38Å; N449-V584 HydrophobicContact CB-CG2 3.98Å; N449-D587 PolarHBondContact ND2-OD2 3.48Å
450	N	98	Very high	98.4	Very high	56 Å²	56	25.8 Å²	25.8	30%	0.299	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-6.2	-172.4	-69.9	-6.5	0	0	0	116.2	G408 A409 G446 A447	G408-N450 WeakPolarHBondContact CA-ND2 3.35Å; A409-N450 HydrophobicContact CB-CB 3.93Å; A409-N450 VanDerWaalsContact CB-O 3.31Å; A409-N450 WeakPolarHBondContact CB-O 3.16Å; G446-N450 WeakPolarHBondContact O-CA 3.05Å; G446-N450 PolarHBondContact O-N 3.17Å; G446-N450 PolarHBondContact O-OD1 2.69Å; A447-N450 PolarHBondContact O-OD1 2.94Å
451	R	96.9	Very high	98.4	Very high	241 Å²	241	27.9 Å²	27.9	91%	0.909	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-16.2	171.5	-65.4	-175.8	-179.7	179.8	0.5	113.1	N449	N449-R451 PolarHBondContact O-N 3.35Å
452	S	96.3	Very high	98.4	Very high	16 Å²	16	27.6 Å²	27.6	11%	0.112	13%	0.129	C	C	.	.			trans	-68.3	132	172	-166.4	0	0	0	0	109.7	C414 N445 N449 V584	C414-S452 PolarHBondContact SG-O 2.67Å; N445-S452 PolarHBondContact ND2-OG 3.19Å; N445-S452 VanDerWaalsContact ND2-OG 3.15Å; N449-S452 VanDerWaalsContact O-CB 3.25Å; N449-S452 WeakPolarHBondContact O-CB 3.43Å; N449-S452 PolarHBondContact O-N 3.04Å; S452-V584 WeakPolarHBondContact OG-CG1 3.48Å
453	I	97.7	Very high	98.4	Very high	70 Å²	70	28 Å²	28	36%	0.359	13%	0.13	S	C	.	.			trans	-102	-13.5	-170	62.8	169.9	0	0	0	114.1	K413 Y415 T416 Y477	K413-I453 WeakPolarHBondContact O-CG2 3.44Å; Y415-I453 WeakPolarHBondContact CA-O 3.46Å; Y415-I453 VanDerWaalsContact CB-O 3.31Å; Y415-I453 WeakPolarHBondContact CB-O 3.18Å; Y415-I453 HydrophobicContact CD2-CB 4.29Å; Y415-I453 HydrophobicContact CD2-CD1 4.45Å; Y415-I453 HydrophobicContact CE2-CD1 4.31Å; Y415-I453 PolarHBondContact N-O 3Å; T416-I453 PolarHBondContact N-O 3.12Å; T416-I453 PolarHBondContact OG1-O 3.14Å; I453-Y477 HydrophobicContact CD1-CE2 4.23Å
454	C	98.4	Very high	98.3	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.034	16%	0.155	C	C	.	.	S	Bend	trans	-131.8	148.7	-175.9	-68.8	0	0	0	0	112.1	T416 N445 R456	T416-C454 VanDerWaalsContact OG1-CA 3.28Å; T416-C454 WeakPolarHBondContact OG1-CA 3.28Å; T416-C454 PolarHBondContact OG1-N 2.91Å; N445-C454 PolarHBondContact ND2-O 3.49Å; C454-R456 PolarHBondContact O-NH1 3.12Å
455	P	98.8	Very high	98.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.			trans	-71.6	174.4	176	30.8	-35.5	0	0	0	112	T416 M442 Y469 L470 L473 P662	T416-P455 HydrophobicContact CG2-CB 4.25Å; T416-P455 WeakPolarHBondContact OG1-CD 3.24Å; T416-P455 VanDerWaalsContact OG1-N 3.13Å; M442-P455 HydrophobicContact CB-CB 4.14Å; M442-P455 HydrophobicContact CG-CB 4.23Å; M442-P455 CarbonylContact O-C 3.53Å; M442-P455 WeakPolarHBondContact O-CA 3.43Å; M442-P455 WeakPolarHBondContact O-CB 3.47Å; P455-Y469 HydrophobicContact CB-CE1 4.46Å; P455-Y469 HydrophobicContact CG-CE1 4.19Å; P455-L470 HydrophobicContact CG-CD2 4.25Å; P455-L473 HydrophobicContact CG-CD1 4.02Å; P455-P662 HydrophobicContact CG-CG 3.92Å; P455-P662 WeakPolarHBondContact O-CD 3.14Å
456	R	98.8	Very high	98.3	Very high	30 Å²	30	32.4 Å²	32.4	11%	0.113	16%	0.16	C	C	.	.			trans	-131.2	106.7	173.9	-66.5	-62.8	-175.2	-70.5	-3	110.7	M442 N445 C454 T528 A588 E615 C661	M442-R456 WeakPolarHBondContact CA-O 3.4Å; M442-R456 VanDerWaalsContact CB-O 3.27Å; M442-R456 WeakPolarHBondContact CB-O 3.41Å; M442-R456 PolarHBondContact O-N 3.23Å; N445-R456 HydrophobicContact CB-CG 4.44Å; C454-R456 PolarHBondContact O-NH1 3.12Å; R456-T528 HydrophobicContact CB-CG2 3.9Å; R456-A588 HydrophobicContact CB-CB 3.81Å; R456-A588 HydrophobicContact CG-CB 3.88Å; R456-E615 IonicContact CZ-OE2 3.3Å; R456-E615 IonicContact NE-OE1 2.79Å; R456-E615 IonicContact NE-OE2 3.73Å; R456-E615 PolarHBondContact NE-OE2 3.48Å; R456-E615 IonicContact NH2-OE2 3.68Å; R456-E615 PolarHBondContact NH2-OE2 3.37Å; R456-C661 PolarHBondContact NH1-SG 3.03Å; R456-C661 VanDerWaalsContact NH1-SG 3.45Å
457	T	98.9	Very high	98.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.			trans	-70.9	159.8	-172.2	61.8	0	0	0	0	113	M442 C462 Y463 L470 F526 T528 C660	M442-T457 HydrophobicContact SD-CG2 4.49Å; T457-C462 HydrophobicContact CG2-CB 4.17Å; T457-Y463 HydrophobicContact CG2-CE1 4.41Å; T457-Y463 HydrophobicContact CG2-CE2 3.95Å; T457-L470 HydrophobicContact CG2-CD1 4.16Å; T457-L470 HydrophobicContact CG2-CD2 4.32Å; T457-F526 WeakPolarHBondContact OG1-CD2 3.43Å; T457-F526 VanDerWaalsContact OG1-CE2 3.25Å; T457-F526 WeakPolarHBondContact OG1-CE2 3.39Å; T457-T528 PolarHBondContact O-OG1 3.31Å; T457-C660 PolarHBondContact N-O 2.78Å; T457-C660 PolarHBondContact OG1-O 2.96Å
458	G	98.7	Very high	98.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.01	19%	0.192	C	C	.	.	S	Bend	trans	-90.9	-24.3	-179.1	0	0	0	0	0	114.5	F526 I529	G458-F526 WeakPolarHBondContact O-CB 3.39Å; G458-F526 PolarHBondContact O-N 2.9Å; G458-I529 WeakPolarHBondContact O-CG1 3.21Å
459	E	98.7	Very high	98.2	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.047	19%	0.185	C	C	.	.	S	Bend	trans	-170.6	172.9	179.4	60.9	-177.2	120.6	0	0	110.4	T433 H435 A437 E461 C462 L525 F526	T433-E459 WeakPolarHBondContact CB-OE1 3.43Å; T433-E459 HydrophobicContact CG2-CG 4.29Å; T433-E459 PolarHBondContact OG1-OE1 2.91Å; H435-E459 WeakPolarHBondContact CB-OE1 3.29Å; H435-E459 IonicContact CE1-OE2 3.79Å; H435-E459 IonicContact CG-OE2 3.4Å; H435-E459 IonicContact ND1-OE1 3.35Å; H435-E459 IonicContact ND1-OE2 2.67Å; H435-E459 PolarHBondContact ND1-OE2 3.15Å; A437-E459 HydrophobicContact CB-CG 4.14Å; E459-E461 VanDerWaalsContact C-N 3.31Å; E459-E461 HydrophobicContact CG-CB 4.06Å; E459-E461 PolarHBondContact O-N 3.38Å; E459-C462 VanDerWaalsContact O-CB 3.3Å; E459-C462 WeakPolarHBondContact O-CB 3.47Å; E459-C462 PolarHBondContact O-N 3.32Å; E459-L525 HydrophobicContact CB-CD2 3.77Å; E459-L525 HydrophobicContact CG-CD2 4.16Å; E459-F526 VanDerWaalsContact C-CE2 3.4Å
460	A	98.7	Very high	98.2	Very high	32 Å²	32	35.2 Å²	35.2	26%	0.264	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-35.6	179.1	0	0	0	0	0	113.5	C462 Y463 F526 A650 I658	A460-C462 PolarHBondContact O-N 2.96Å; A460-C462 VanDerWaalsContact O-N 3.13Å; A460-Y463 WeakPolarHBondContact O-CD2 3.29Å; A460-Y463 PolarHBondContact O-N 3.35Å; A460-F526 HydrophobicContact CB-CZ 4.14Å; A460-F526 VanDerWaalsContact N-CZ 3.3Å; A460-A650 HydrophobicContact CB-CB 4.26Å; A460-I658 HydrophobicContact CB-CB 4.46Å; A460-I658 HydrophobicContact CB-CD1 3.87Å; A460-I658 HydrophobicContact CB-CG2 3.95Å
461	E	98.7	Very high	98.1	Very high	45 Å²	45	33.9 Å²	33.9	21%	0.21	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.8	-179.6	-161.7	-161.8	112	0	0	112.8	T433 T434 E459 Y463 S464 T465	T433-E461 WeakPolarHBondContact CA-OE1 3.36Å; T433-E461 WeakPolarHBondContact CB-OE1 3.43Å; T433-E461 HydrophobicContact CG2-CB 4.12Å; T433-E461 HydrophobicContact CG2-CG 4.37Å; T434-E461 WeakPolarHBondContact CB-OE2 3.17Å; T434-E461 PolarHBondContact N-OE1 3.39Å; T434-E461 PolarHBondContact N-OE2 2.94Å; T434-E461 VanDerWaalsContact N-OE2 3.14Å; T434-E461 PolarHBondContact OG1-OE2 3.02Å; E459-E461 VanDerWaalsContact C-N 3.31Å; E459-E461 HydrophobicContact CG-CB 4.06Å; E459-E461 PolarHBondContact O-N 3.38Å; E461-Y463 PolarHBondContact O-N 3Å; E461-Y463 VanDerWaalsContact O-N 3.08Å; E461-S464 PolarHBondContact O-N 3.29Å; E461-S464 PolarHBondContact O-OG 2.78Å; E461-T465 PolarHBondContact O-N 2.92Å; E461-T465 PolarHBondContact O-OG1 3.24Å; E461-T465 PolarHBondContact OE1-OG1 2.88Å
462	C	98.7	Very high	98	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-50.4	-38.1	176.6	-76.6	0	0	0	0	112.6	M442 T457 E459 A460 S464 T465 F466 L470	M442-C462 HydrophobicContact CE-CB 4.01Å; T457-C462 HydrophobicContact CG2-CB 4.17Å; E459-C462 VanDerWaalsContact O-CB 3.3Å; E459-C462 WeakPolarHBondContact O-CB 3.47Å; E459-C462 PolarHBondContact O-N 3.32Å; A460-C462 PolarHBondContact O-N 2.96Å; A460-C462 VanDerWaalsContact O-N 3.13Å; C462-S464 PolarHBondContact O-N 3.04Å; C462-T465 PolarHBondContact O-N 3.38Å; C462-F466 HydrophobicContact CB-CD2 4.12Å; C462-F466 PolarHBondContact O-N 2.91Å; C462-L470 HydrophobicContact CB-CD1 4.3Å; C462-L470 WeakPolarHBondContact O-CD1 3.36Å
463	Y	98.1	Very high	98.1	Very high	8 Å²	8	23.8 Å²	23.8	3%	0.031	14%	0.135	C	C	.	.	H	α-helix	trans	-67.5	-14.1	-179	-70.1	-79.1	0	0	0	114.2	T457 A460 E461 L470 I474 Y655 I658 T659 P662 L665	T457-Y463 HydrophobicContact CG2-CE1 4.41Å; T457-Y463 HydrophobicContact CG2-CE2 3.95Å; A460-Y463 WeakPolarHBondContact O-CD2 3.29Å; A460-Y463 PolarHBondContact O-N 3.35Å; E461-Y463 PolarHBondContact O-N 3Å; E461-Y463 VanDerWaalsContact O-N 3.08Å; Y463-L470 HydrophobicContact CD1-CB 4.47Å; Y463-L470 HydrophobicContact CD1-CD1 3.91Å; Y463-L470 HydrophobicContact CE1-CD1 4.19Å; Y463-L470 HydrophobicContact CG-CD1 4.31Å; Y463-I474 HydrophobicContact CD1-CD1 3.83Å; Y463-I474 HydrophobicContact CE1-CD1 3.85Å; Y463-Y655 HydrophobicContact CD1-CD2 4.2Å; Y463-Y655 HydrophobicContact CD1-CE2 4.27Å; Y463-Y655 HydrophobicContact CG-CD2 4.43Å; Y463-I658 HydrophobicContact CD2-CG2 3.5Å; Y463-I658 VanDerWaalsContact CD2-CG2 3.5Å; Y463-I658 HydrophobicContact CE2-CG2 3.47Å; Y463-I658 VanDerWaalsContact CE2-CG2 3.47Å; Y463-T659 WeakPolarHBondContact CE2-O 3.45Å; Y463-T659 PolarHBondContact OH-O 2.63Å; Y463-P662 HydrophobicContact CE1-CB 4.37Å; Y463-P662 HydrophobicContact CE1-CG 4.23Å; Y463-L665 HydrophobicContact CD1-CD1 4.29Å; Y463-L665 HydrophobicContact CE1-CD1 3.65Å; Y463-L665 HydrophobicContact CE1-CD2 4.03Å; Y463-L665 HydrophobicContact CE1-CG 4.35Å; Y463-L665 HydrophobicContact CE2-CD2 4.31Å
464	S	97.6	Very high	98	Very high	75 Å²	75	20.5 Å²	20.5	52%	0.524	12%	0.119	S	C	.	.	H	α-helix	trans	-105.7	-43.4	172	65.8	0	0	0	0	111.8	E461 C462 F466 I467	E461-S464 PolarHBondContact O-N 3.29Å; E461-S464 PolarHBondContact O-OG 2.78Å; C462-S464 PolarHBondContact O-N 3.04Å; S464-F466 PolarHBondContact O-N 3.39Å; S464-I467 WeakPolarHBondContact O-CB 3.23Å; S464-I467 PolarHBondContact O-N 3.21Å
465	T	98.5	Very high	97.8	Very high	18 Å²	18	21.8 Å²	21.8	11%	0.11	13%	0.127	C	C	.	.	H	α-helix	trans	-67.8	-34.3	-176.2	-67.8	0	0	0	0	113.1	Y428 K431 T433 E461 C462	Y428-T465 WeakPolarHBondContact CE1-O 3.08Å; K431-T465 HydrophobicContact CD-CG2 4.1Å; K431-T465 HydrophobicContact CG-CG2 4.43Å; K431-T465 PolarHBondContact NZ-O 3.11Å; T433-T465 HydrophobicContact CG2-CG2 4.01Å; E461-T465 PolarHBondContact O-N 2.92Å; E461-T465 PolarHBondContact O-OG1 3.24Å; E461-T465 PolarHBondContact OE1-OG1 2.88Å; C462-T465 PolarHBondContact O-N 3.38Å
466	F	98.6	Very high	97.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	32.7	-180	-53.2	-70	0	0	0	112.3	Y428 K431 T433 L439 M442 C462 S464 D468 Y469 L470	Y428-F466 AromaticContact CD1-CD1 3.75Å; Y428-F466 HydrophobicContact CD1-CD1 3.75Å; Y428-F466 HydrophobicContact CD1-CE1 4.24Å; Y428-F466 HydrophobicContact CD2-CD1 4.14Å; Y428-F466 HydrophobicContact CE1-CD1 4.22Å; Y428-F466 HydrophobicContact CE2-CB 4.49Å; Y428-F466 AromaticContact CG-CD1 3.72Å; Y428-F466 HydrophobicContact CG-CD1 3.72Å; Y428-F466 HydrophobicContact CG-CE1 4.31Å; K431-F466 HydrophobicContact CB-CE1 4.15Å; K431-F466 HydrophobicContact CD-CE1 4.26Å; K431-F466 HydrophobicContact CG-CE1 4.29Å; T433-F466 HydrophobicContact CG2-CE2 3.88Å; L439-F466 HydrophobicContact CB-CD1 4.13Å; L439-F466 HydrophobicContact CB-CE1 4.12Å; M442-F466 HydrophobicContact CE-CB 4.32Å; M442-F466 HydrophobicContact CE-CD2 3.41Å; M442-F466 VanDerWaalsContact CE-CD2 3.41Å; M442-F466 HydrophobicContact CE-CE2 3.95Å; M442-F466 HydrophobicContact CE-CG 4.02Å; C462-F466 HydrophobicContact CB-CD2 4.12Å; C462-F466 PolarHBondContact O-N 2.91Å; S464-F466 PolarHBondContact O-N 3.39Å; F466-D468 VanDerWaalsContact C-N 3.33Å; F466-D468 PolarHBondContact O-N 2.92Å; F466-Y469 PolarHBondContact O-N 3.34Å; F466-L470 HydrophobicContact CB-CD1 4.43Å; F466-L470 PolarHBondContact O-N 2.65Å; F466-L470 VanDerWaalsContact O-N 3.09Å
467	I	97.4	Very high	97.4	Very high	61 Å²	61	26.4 Å²	26.4	31%	0.313	15%	0.149	S	C	.	.	H	α-helix	trans	-56.8	-40.5	-171.7	-166.2	168.4	0	0	0	113.4	S464 Y469 L470 D471	S464-I467 WeakPolarHBondContact O-CB 3.23Å; S464-I467 PolarHBondContact O-N 3.21Å; I467-Y469 PolarHBondContact O-N 2.92Å; I467-Y469 VanDerWaalsContact O-N 3.11Å; I467-L470 PolarHBondContact O-N 3.23Å; I467-D471 HydrophobicContact CG1-CB 3.95Å; I467-D471 WeakPolarHBondContact O-CB 3.43Å; I467-D471 PolarHBondContact O-N 2.58Å
468	D	97.7	Very high	97.1	Very high	71 Å²	71	27.5 Å²	27.5	38%	0.38	15%	0.154	S	C	.	.	H	α-helix	trans	-61.3	-22.7	178.4	-59.3	29.4	0	0	0	114	I424 K427 Y428 F466 P472	I424-D468 HydrophobicContact CD1-CB 3.66Å; I424-D468 WeakPolarHBondContact CD1-O 3.14Å; K427-D468 VanDerWaalsContact NZ-CG 3.3Å; K427-D468 IonicContact NZ-OD1 3.51Å; K427-D468 PolarHBondContact NZ-OD1 2.83Å; K427-D468 IonicContact NZ-OD2 3.58Å; K427-D468 PolarHBondContact NZ-OD2 3.11Å; Y428-D468 HydrophobicContact CE2-CB 3.96Å; Y428-D468 WeakPolarHBondContact OH-CB 3.39Å; Y428-D468 VanDerWaalsContact OH-CG 3.29Å; Y428-D468 PolarHBondContact OH-N 3.09Å; Y428-D468 PolarHBondContact OH-OD1 2.87Å; F466-D468 VanDerWaalsContact C-N 3.33Å; F466-D468 PolarHBondContact O-N 2.92Å; D468-P472 WeakPolarHBondContact O-CD 3.46Å; D468-P472 VanDerWaalsContact O-CG 3.24Å; D468-P472 WeakPolarHBondContact O-CG 3.38Å
469	Y	98.6	Very high	96.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-89.4	-49.6	174.3	170.9	-112	0	0	0	111.2	T416 Y419 L420 I424 L439 M442 I443 P455 F466 I467 L473	T416-Y469 VanDerWaalsContact CA-OH 3.29Å; T416-Y469 WeakPolarHBondContact CA-OH 3.47Å; T416-Y469 WeakPolarHBondContact CG2-OH 3.33Å; T416-Y469 PolarHBondContact O-OH 2.83Å; Y419-Y469 WeakPolarHBondContact O-CD2 3.21Å; L420-Y469 HydrophobicContact CB-CE2 4.09Å; L420-Y469 HydrophobicContact CD1-CD2 4.45Å; L420-Y469 HydrophobicContact CD1-CE2 4.21Å; I424-Y469 HydrophobicContact CG2-CD2 3.99Å; I424-Y469 HydrophobicContact CG2-CG 4.28Å; L439-Y469 HydrophobicContact CD1-CD1 3.36Å; L439-Y469 HydrophobicContact CD1-CD2 4.42Å; L439-Y469 HydrophobicContact CD1-CE1 3.6Å; L439-Y469 HydrophobicContact CD1-CG 3.81Å; M442-Y469 HydrophobicContact CG-CE1 4.31Å; M442-Y469 HydrophobicContact SD-CD1 3.82Å; M442-Y469 HydrophobicContact SD-CE1 3.7Å; I443-Y469 HydrophobicContact CG2-CE1 4.48Å; P455-Y469 HydrophobicContact CB-CE1 4.46Å; P455-Y469 HydrophobicContact CG-CE1 4.19Å; F466-Y469 PolarHBondContact O-N 3.34Å; I467-Y469 PolarHBondContact O-N 2.92Å; I467-Y469 VanDerWaalsContact O-N 3.11Å; Y469-L473 WeakPolarHBondContact O-CB 3.35Å
470	L	98.3	Very high	96.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-76.4	-38.5	-171.7	-73	171.4	0	0	0	113	M442 P455 T457 C462 Y463 F466 I467 L473 I474 P662	M442-L470 HydrophobicContact CE-CD1 4.41Å; M442-L470 HydrophobicContact SD-CD1 4.27Å; M442-L470 HydrophobicContact SD-CD2 4Å; M442-L470 HydrophobicContact SD-CG 4.25Å; P455-L470 HydrophobicContact CG-CD2 4.25Å; T457-L470 HydrophobicContact CG2-CD1 4.16Å; T457-L470 HydrophobicContact CG2-CD2 4.32Å; C462-L470 HydrophobicContact CB-CD1 4.3Å; C462-L470 WeakPolarHBondContact O-CD1 3.36Å; Y463-L470 HydrophobicContact CD1-CB 4.47Å; Y463-L470 HydrophobicContact CD1-CD1 3.91Å; Y463-L470 HydrophobicContact CE1-CD1 4.19Å; Y463-L470 HydrophobicContact CG-CD1 4.31Å; F466-L470 HydrophobicContact CB-CD1 4.43Å; F466-L470 PolarHBondContact O-N 2.65Å; F466-L470 VanDerWaalsContact O-N 3.09Å; I467-L470 PolarHBondContact O-N 3.23Å; L470-L473 WeakPolarHBondContact O-CB 3.41Å; L470-L473 PolarHBondContact O-N 2.97Å; L470-I474 HydrophobicContact CB-CD1 4.16Å; L470-I474 WeakPolarHBondContact O-CB 3.46Å; L470-I474 VanDerWaalsContact O-CD1 3.26Å; L470-I474 WeakPolarHBondContact O-CD1 3.3Å; L470-I474 WeakPolarHBondContact O-CG1 3.38Å; L470-I474 PolarHBondContact O-N 3.15Å; L470-P662 HydrophobicContact CD2-CG 3.95Å
471	D	95.8	Very high	95	Very high	28 Å²	28	39.1 Å²	39.1	15%	0.15	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-52.8	-176.1	-165.8	54.7	0	0	0	113.8	I467 L473 I474 C475 K654 Y655	I467-D471 HydrophobicContact CG1-CB 3.95Å; I467-D471 WeakPolarHBondContact O-CB 3.43Å; I467-D471 PolarHBondContact O-N 2.58Å; D471-L473 PolarHBondContact O-N 2.79Å; D471-I474 PolarHBondContact O-N 2.77Å; D471-I474 VanDerWaalsContact O-N 3.15Å; D471-C475 WeakPolarHBondContact O-CB 3.47Å; D471-C475 PolarHBondContact O-N 2.55Å; D471-C475 PolarHBondContact O-SG 2.83Å; D471-C475 VanDerWaalsContact O-SG 3.36Å; D471-K654 WeakPolarHBondContact OD1-CE 3.49Å; D471-K654 IonicContact OD1-NZ 3.26Å; D471-K654 PolarHBondContact OD1-NZ 3.23Å; D471-K654 IonicContact OD2-NZ 3.74Å; D471-K654 PolarHBondContact OD2-NZ 3.04Å; D471-Y655 WeakPolarHBondContact CB-OH 3.35Å; D471-Y655 VanDerWaalsContact CG-OH 3.29Å; D471-Y655 WeakPolarHBondContact OD1-CE1 3.25Å; D471-Y655 PolarHBondContact OD1-OH 2.71Å
472	P	95.6	Very high	93.8	Very high	45 Å²	45	41.6 Å²	41.6	29%	0.292	23%	0.232	S	C	.	.	H	α-helix	trans	-65.4	-30.8	178.4	29	-37.2	0	0	0	111.9	Y419 D468 D476	Y419-P472 HydrophobicContact CD1-CB 3.73Å; Y419-P472 HydrophobicContact CD1-CG 3.76Å; Y419-P472 HydrophobicContact CE1-CB 3.58Å; Y419-P472 HydrophobicContact CE1-CG 4.16Å; Y419-P472 HydrophobicContact CG-CG 4.47Å; D468-P472 WeakPolarHBondContact O-CD 3.46Å; D468-P472 VanDerWaalsContact O-CG 3.24Å; D468-P472 WeakPolarHBondContact O-CG 3.38Å; P472-D476 WeakPolarHBondContact O-CB 3.43Å; P472-D476 PolarHBondContact O-N 3.35Å
473	L	97.2	Very high	92.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-45.5	171.9	179.7	151.8	0	0	0	112.1	Y415 Y419 P455 Y469 L470 D471 D476 Y477 P662	Y415-L473 WeakPolarHBondContact O-CD1 3.5Å; Y419-L473 HydrophobicContact CD2-CB 3.69Å; Y419-L473 HydrophobicContact CD2-CD1 4.4Å; Y419-L473 HydrophobicContact CD2-CG 4.16Å; Y419-L473 HydrophobicContact CE2-CB 4.28Å; Y419-L473 HydrophobicContact CG-CB 4.06Å; P455-L473 HydrophobicContact CG-CD1 4.02Å; Y469-L473 WeakPolarHBondContact O-CB 3.35Å; L470-L473 WeakPolarHBondContact O-CB 3.41Å; L470-L473 PolarHBondContact O-N 2.97Å; D471-L473 PolarHBondContact O-N 2.79Å; L473-D476 PolarHBondContact O-N 3.23Å; L473-Y477 WeakPolarHBondContact O-CB 3.3Å; L473-Y477 PolarHBondContact O-N 2.85Å; L473-P662 HydrophobicContact CD2-CB 3.91Å; L473-P662 HydrophobicContact CD2-CG 4.19Å
474	I	95.7	Very high	91.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-65.1	-46.9	179.4	-72.4	160.1	0	0	0	110.2	Y463 L470 D471 D476 Y477 H478 Y655 P662 L665 L721	Y463-I474 HydrophobicContact CD1-CD1 3.83Å; Y463-I474 HydrophobicContact CE1-CD1 3.85Å; L470-I474 HydrophobicContact CB-CD1 4.16Å; L470-I474 WeakPolarHBondContact O-CB 3.46Å; L470-I474 VanDerWaalsContact O-CD1 3.26Å; L470-I474 WeakPolarHBondContact O-CD1 3.3Å; L470-I474 WeakPolarHBondContact O-CG1 3.38Å; L470-I474 PolarHBondContact O-N 3.15Å; D471-I474 PolarHBondContact O-N 2.77Å; D471-I474 VanDerWaalsContact O-N 3.15Å; I474-D476 VanDerWaalsContact C-N 3.31Å; I474-D476 PolarHBondContact O-N 3.26Å; I474-Y477 PolarHBondContact O-N 3.36Å; I474-H478 WeakPolarHBondContact O-CB 3.44Å; I474-H478 PolarHBondContact O-CD2 3.15Å; I474-H478 PolarHBondContact O-N 3.41Å; I474-Y655 HydrophobicContact CB-CE1 4.41Å; I474-Y655 HydrophobicContact CD1-CD1 4.04Å; I474-Y655 HydrophobicContact CD1-CE1 3.7Å; I474-Y655 HydrophobicContact CD1-CE2 4.29Å; I474-Y655 HydrophobicContact CD1-CG 4.46Å; I474-Y655 HydrophobicContact CG2-CD1 3.94Å; I474-Y655 HydrophobicContact CG2-CE1 3.92Å; I474-P662 HydrophobicContact CG1-CB 3.92Å; I474-L665 HydrophobicContact CD1-CD1 3.59Å; I474-L665 HydrophobicContact CG1-CD1 3.81Å; I474-L665 HydrophobicContact CG2-CD1 4.26Å; I474-L721 HydrophobicContact CG2-CD2 3.57Å
475	C	94	Very high	90.3	Very high	31 Å²	31	48.6 Å²	48.6	21%	0.209	28%	0.279	C	S	.	.	H	α-helix	trans	-57.6	-44.1	177.5	-72.5	0	0	0	0	111.7	D471 G479 V480	D471-C475 WeakPolarHBondContact O-CB 3.47Å; D471-C475 PolarHBondContact O-N 2.55Å; D471-C475 PolarHBondContact O-SG 2.83Å; D471-C475 VanDerWaalsContact O-SG 3.36Å; C475-G479 CarbonylContact O-C 3.15Å; C475-G479 VanDerWaalsContact O-CA 3.3Å; C475-G479 WeakPolarHBondContact O-CA 3.38Å; C475-G479 PolarHBondContact O-N 3.45Å; C475-V480 VanDerWaalsContact CB-O 3.28Å; C475-V480 WeakPolarHBondContact CB-O 3.33Å; C475-V480 PolarHBondContact O-N 2.94Å
476	D	94.7	Very high	89.8	Confident	54 Å²	54	54.2 Å²	54.2	29%	0.289	30%	0.302	S	S	.	.	H	α-helix	trans	-68.2	-47.9	177.9	-171.7	20.5	0	0	0	112.4	Y415 K418 Y419 P472 L473 I474 H478 G479	Y415-D476 HydrophobicContact CD1-CB 4.24Å; Y415-D476 WeakPolarHBondContact CD1-OD2 3.48Å; Y415-D476 HydrophobicContact CE1-CB 4.05Å; Y415-D476 VanDerWaalsContact CE1-CG 3.48Å; Y415-D476 WeakPolarHBondContact CE1-OD2 3.31Å; K418-D476 IonicContact NZ-OD1 2.89Å; K418-D476 IonicContact NZ-OD2 2.67Å; K418-D476 PolarHBondContact NZ-OD2 2.79Å; Y419-D476 HydrophobicContact CE2-CB 3.89Å; Y419-D476 WeakPolarHBondContact CE2-OD2 3.29Å; Y419-D476 WeakPolarHBondContact OH-CB 3.14Å; Y419-D476 PolarHBondContact OH-OD2 3.13Å; P472-D476 WeakPolarHBondContact O-CB 3.43Å; P472-D476 PolarHBondContact O-N 3.35Å; L473-D476 PolarHBondContact O-N 3.23Å; I474-D476 VanDerWaalsContact C-N 3.31Å; I474-D476 PolarHBondContact O-N 3.26Å; D476-H478 PolarHBondContact O-N 2.92Å; D476-G479 PolarHBondContact O-N 3.31Å
477	Y	94.4	Very high	89.6	Confident	74 Å²	74	54.8 Å²	54.8	29%	0.29	30%	0.304	S	S	.	.	H	α-helix	trans	-61.6	-45.2	-179.9	-174.4	-86.4	0	0	0	112.6	Y415 I453 L473 I474 S663	Y415-Y477 AromaticContact CD2-CD2 3.89Å; Y415-Y477 HydrophobicContact CD2-CD2 3.89Å; Y415-Y477 AromaticContact CE2-CD2 3.64Å; Y415-Y477 HydrophobicContact CE2-CD2 3.64Å; Y415-Y477 HydrophobicContact CE2-CE2 4.24Å; Y415-Y477 HydrophobicContact CG-CD2 4.47Å; I453-Y477 HydrophobicContact CD1-CE2 4.23Å; L473-Y477 WeakPolarHBondContact O-CB 3.3Å; L473-Y477 PolarHBondContact O-N 2.85Å; I474-Y477 PolarHBondContact O-N 3.36Å; Y477-S663 WeakPolarHBondContact OH-CB 3.43Å
478	H	93.8	Very high	89.5	Confident	22 Å²	22	53.8 Å²	53.8	10%	0.102	30%	0.302	C	S	.	.	H	α-helix	trans	-90.1	-5.1	-176.8	-68.6	-81.7	0	0	0	113.8	I474 D476 V480 P662 S663 L721	I474-H478 WeakPolarHBondContact O-CB 3.44Å; I474-H478 PolarHBondContact O-CD2 3.15Å; I474-H478 PolarHBondContact O-N 3.41Å; D476-H478 PolarHBondContact O-N 2.92Å; H478-V480 VanDerWaalsContact C-N 3.29Å; H478-V480 HydrophobicContact CB-CG2 4Å; H478-V480 PolarHBondContact O-N 3.06Å; H478-P662 PolarHBondContact NE2-O 3.25Å; H478-S663 PolarHBondContact CE1-O 2.83Å; H478-S663 VanDerWaalsContact CE1-O 3.31Å; H478-L721 HydrophobicContact CB-CB 4.08Å; H478-L721 HydrophobicContact CB-CD2 4.23Å
479	G	90.8	Very high	89.4	Confident	59 Å²	59	53.7 Å²	53.7	61%	0.608	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	28.6	-177.9	0	0	0	0	0	113.9	C475 D476	C475-G479 CarbonylContact O-C 3.15Å; C475-G479 VanDerWaalsContact O-CA 3.3Å; C475-G479 WeakPolarHBondContact O-CA 3.38Å; C475-G479 PolarHBondContact O-N 3.45Å; D476-G479 PolarHBondContact O-N 3.31Å
480	V	86.9	Confident	89.3	Confident	22 Å²	22	56.3 Å²	56.3	13%	0.133	33%	0.328	C	S	.	.			trans	-89	122.3	177.1	-177	0	0	0	0	108.4	C475 H478 F485 L721	C475-V480 VanDerWaalsContact CB-O 3.28Å; C475-V480 WeakPolarHBondContact CB-O 3.33Å; C475-V480 PolarHBondContact O-N 2.94Å; H478-V480 VanDerWaalsContact C-N 3.29Å; H478-V480 HydrophobicContact CB-CG2 4Å; H478-V480 PolarHBondContact O-N 3.06Å; V480-F485 HydrophobicContact CG1-CB 3.85Å; V480-F485 HydrophobicContact CG1-CD1 3.91Å; V480-F485 HydrophobicContact CG1-CD2 4.46Å; V480-F485 HydrophobicContact CG1-CG 3.79Å; V480-L721 HydrophobicContact CG2-CD2 4.21Å; V480-L721 HydrophobicContact CG2-CG 4.47Å
481	K	73.3	Confident	89.3	Confident	206 Å²	206	59.2 Å²	59.2	90%	0.896	35%	0.346	S	S	*	.			trans	-100.3	-22.1	-172.7	-64.5	-176.4	-179.6	178.6	0	114.6
482	D	73.7	Confident	89.4	Confident	98 Å²	98	59.2 Å²	59.2	52%	0.524	35%	0.345	S	S	.	.			trans	-95.9	116	-175.1	-172.4	-5.7	0	0	0	110.5	A484 F485	D482-A484 PolarHBondContact O-N 3.48Å; D482-A484 WeakPolarHBondContact OD1-CB 3.48Å; D482-A484 PolarHBondContact OD1-N 2.86Å; D482-F485 HydrophobicContact CB-CB 4.33Å; D482-F485 WeakPolarHBondContact O-CB 3.24Å; D482-F485 PolarHBondContact O-N 3.26Å
483	S	65.8	Low	89.5	Confident	96 Å²	96	58.9 Å²	58.9	67%	0.671	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.9	176	52.1	0	0	0	0	113.6	F485	S483-F485 VanDerWaalsContact C-N 3.28Å
484	A	77.7	Confident	89.5	Confident	76 Å²	76	63.1 Å²	63.1	63%	0.628	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.1	175.2	0	0	0	0	0	112.8	D482 K486	D482-A484 PolarHBondContact O-N 3.48Å; D482-A484 WeakPolarHBondContact OD1-CB 3.48Å; D482-A484 PolarHBondContact OD1-N 2.86Å; A484-K486 PolarHBondContact O-N 2.94Å
485	F	78.2	Confident	89.6	Confident	57 Å²	57	64.8 Å²	64.8	25%	0.25	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-58.3	125.5	179.3	179.6	-94.2	0	0	0	111.1	V480 D482 S483 H487	V480-F485 HydrophobicContact CG1-CB 3.85Å; V480-F485 HydrophobicContact CG1-CD1 3.91Å; V480-F485 HydrophobicContact CG1-CD2 4.46Å; V480-F485 HydrophobicContact CG1-CG 3.79Å; D482-F485 HydrophobicContact CB-CB 4.33Å; D482-F485 WeakPolarHBondContact O-CB 3.24Å; D482-F485 PolarHBondContact O-N 3.26Å; S483-F485 VanDerWaalsContact C-N 3.28Å; F485-H487 HydrophobicContact CE1-CB 4.3Å
486	K	88.4	Confident	89.7	Confident	137 Å²	137	68.3 Å²	68.3	60%	0.596	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-103.9	136.5	165.6	-68.3	-167.3	172	-149.8	0	109.1	A484 D653	A484-K486 PolarHBondContact O-N 2.94Å; K486-D653 CarbonylContact C-O 3.45Å; K486-D653 WeakPolarHBondContact CA-O 3.5Å; K486-D653 HydrophobicContact CD-CB 4.48Å; K486-D653 IonicContact NZ-OD2 3.8Å; K486-D653 PolarHBondContact NZ-OD2 3.09Å
487	H	94.5	Very high	89.9	Confident	11 Å²	11	73.9 Å²	73.9	5%	0.051	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-65.3	137.7	170.4	-166.7	67.3	0	0	0	109.2	F485 D653 G656 G666 T667 L721 L723	F485-H487 HydrophobicContact CE1-CB 4.3Å; H487-D653 PolarHBondContact N-O 2.97Å; H487-G656 WeakPolarHBondContact CD2-CA 3.44Å; H487-G666 VanDerWaalsContact CE1-CA 3.4Å; H487-G666 WeakPolarHBondContact CE1-CA 3.42Å; H487-G666 WeakPolarHBondContact NE2-CA 3.18Å; H487-T667 PolarHBondContact NE2-N 3.44Å; H487-L721 HydrophobicContact CB-CD1 4.25Å; H487-L723 PolarHBondContact CE1-O 2.93Å
488	P	94.8	Very high	90	Very high	40 Å²	40	71.7 Å²	71.7	26%	0.26	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-57.4	150.7	173.5	24.5	-35.8	0	0	0	111	T724	P488-T724 HydrophobicContact CB-CG2 3.97Å; P488-T724 HydrophobicContact CG-CG2 3.85Å
489	A	95.5	Very high	90.2	Very high	69 Å²	69	74 Å²	74	57%	0.57	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-58.1	155.3	167.9	0	0	0	0	0	110.4	T491	A489-T491 PolarHBondContact O-N 3.28Å; A489-T491 PolarHBondContact O-OG1 3.39Å
490	P	97.3	Very high	90.5	Very high	55 Å²	55	72 Å²	72	36%	0.357	41%	0.412	S	S	.	.			trans	-51.5	115.3	179.2	-26.3	34.4	0	0	0	111.3	F492 Y657	P490-F492 HydrophobicContact CB-CE1 4.27Å; P490-F492 HydrophobicContact CB-CE2 4.32Å; P490-F492 HydrophobicContact CB-CZ 3.89Å; P490-Y657 HydrophobicContact CB-CE2 4.15Å; P490-Y657 HydrophobicContact CG-CE2 3.81Å; P490-Y657 VanDerWaalsContact CG-OH 3.27Å; P490-Y657 WeakPolarHBondContact CG-OH 3.45Å
491	T	98	Very high	90.9	Very high	62 Å²	62	72.7 Å²	72.7	38%	0.38	42%	0.423	S	S	.	.			trans	-130.1	86	-171.6	-57.8	0	0	0	0	108.9	A489 T724 E725 L726	A489-T491 PolarHBondContact O-N 3.28Å; A489-T491 PolarHBondContact O-OG1 3.39Å; T491-T724 HydrophobicContact CG2-CG2 4.12Å; T491-E725 PolarHBondContact N-OE2 3.36Å; T491-L726 PolarHBondContact O-N 3.35Å
492	F	97.9	Very high	92.1	Very high	28 Å²	28	66 Å²	66	12%	0.123	40%	0.398	C	S	.	.			trans	-82.4	-14.1	-176.6	-51.7	-47.7	0	0	0	114.1	P490 Y633 I637 E725	P490-F492 HydrophobicContact CB-CE1 4.27Å; P490-F492 HydrophobicContact CB-CE2 4.32Å; P490-F492 HydrophobicContact CB-CZ 3.89Å; F492-Y633 WeakPolarHBondContact O-CE1 3.39Å; F492-Y633 PolarHBondContact O-OH 3.44Å; F492-I637 HydrophobicContact CB-CD1 4.2Å; F492-I637 HydrophobicContact CB-CG1 4.12Å; F492-I637 HydrophobicContact CB-CG2 3.73Å; F492-I637 HydrophobicContact CD1-CD1 3.57Å; F492-I637 HydrophobicContact CD1-CG1 4.4Å; F492-I637 HydrophobicContact CD1-CG2 4.39Å; F492-I637 HydrophobicContact CD2-CG2 3.58Å; F492-I637 HydrophobicContact CE1-CD1 4.08Å; F492-I637 HydrophobicContact CE2-CG2 4.26Å; F492-I637 HydrophobicContact CG-CD1 3.91Å; F492-I637 HydrophobicContact CG-CG1 4.27Å; F492-I637 HydrophobicContact CG-CG2 3.65Å; F492-E725 HydrophobicContact CD1-CB 3.84Å; F492-E725 HydrophobicContact CD1-CG 3.77Å; F492-E725 HydrophobicContact CE1-CB 4.31Å; F492-E725 HydrophobicContact CE1-CG 3.71Å; F492-E725 WeakPolarHBondContact CE1-OE1 3.45Å
493	G	97	Very high	93.2	Very high	37 Å²	37	62.9 Å²	62.9	38%	0.381	38%	0.381	S	S	.	.			trans	80.2	179.1	-176.3	0	0	0	0	0	114.4	L495	G493-L495 PolarHBondContact O-N 3.49Å
494	D	97.4	Very high	94.7	Very high	90 Å²	90	58.5 Å²	58.5	48%	0.481	35%	0.35	S	S	.	.			trans	-77.5	107.9	172	-179.3	-8.5	0	0	0	109.4	S496 K497 L498	D494-S496 VanDerWaalsContact CG-OG 3.31Å; D494-S496 PolarHBondContact O-N 3.02Å; D494-S496 VanDerWaalsContact O-N 3.11Å; D494-S496 WeakPolarHBondContact OD1-CB 3.35Å; D494-S496 PolarHBondContact OD1-N 3.46Å; D494-S496 PolarHBondContact OD1-OG 3.3Å; D494-S496 PolarHBondContact OD2-OG 3.14Å; D494-K497 HydrophobicContact CB-CB 4.41Å; D494-K497 CarbonylContact O-C 3.6Å; D494-K497 VanDerWaalsContact O-C 3.25Å; D494-K497 PolarHBondContact O-N 3.35Å; D494-L498 PolarHBondContact O-N 2.66Å
495	L	97.5	Very high	95.5	Very high	37 Å²	37	60 Å²	60	19%	0.194	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.9	-177.5	-57.9	-173.4	0	0	0	113.6	G493 L498 Y633 K634 I637 E638	G493-L495 PolarHBondContact O-N 3.49Å; L495-L498 HydrophobicContact CD2-CD2 4.31Å; L495-Y633 HydrophobicContact CD2-CD1 4.33Å; L495-Y633 HydrophobicContact CD2-CE1 4.14Å; L495-K634 HydrophobicContact CB-CG 4.23Å; L495-K634 HydrophobicContact CD1-CG 4.43Å; L495-I637 HydrophobicContact CD1-CB 4.08Å; L495-I637 HydrophobicContact CD1-CG2 3.91Å; L495-I637 HydrophobicContact CD2-CB 4.04Å; L495-I637 HydrophobicContact CD2-CG1 4.1Å; L495-I637 HydrophobicContact CD2-CG2 4.09Å; L495-E638 HydrophobicContact CD1-CG 4.01Å
496	S	96.7	Very high	96.2	Very high	105 Å²	105	61 Å²	61	73%	0.734	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-16.2	173.8	75.1	0	0	0	0	113.2	D494	D494-S496 VanDerWaalsContact CG-OG 3.31Å; D494-S496 PolarHBondContact O-N 3.02Å; D494-S496 VanDerWaalsContact O-N 3.11Å; D494-S496 WeakPolarHBondContact OD1-CB 3.35Å; D494-S496 PolarHBondContact OD1-N 3.46Å; D494-S496 PolarHBondContact OD1-OG 3.3Å; D494-S496 PolarHBondContact OD2-OG 3.14Å
497	K	97.4	Very high	96.4	Very high	171 Å²	171	56.7 Å²	56.7	74%	0.743	36%	0.359	S	S	*	.	S	Bend	trans	-141.1	56.3	-174.2	-161.2	177.7	-178.8	179.5	0	111.6	D494	D494-K497 HydrophobicContact CB-CB 4.41Å; D494-K497 CarbonylContact O-C 3.6Å; D494-K497 VanDerWaalsContact O-C 3.25Å; D494-K497 PolarHBondContact O-N 3.35Å
498	L	97.7	Very high	96.4	Very high	28 Å²	28	63.4 Å²	63.4	15%	0.147	39%	0.387	C	S	.	.			trans	-68	148.3	177.3	-66	170.9	0	0	0	111.4	D494 L495 F500 A630 Y633 L726	D494-L498 PolarHBondContact O-N 2.66Å; L495-L498 HydrophobicContact CD2-CD2 4.31Å; L498-F500 HydrophobicContact CB-CD2 4.33Å; L498-F500 HydrophobicContact CB-CE2 4.15Å; L498-F500 HydrophobicContact CB-CZ 4.44Å; L498-F500 HydrophobicContact CD1-CE2 3.92Å; L498-F500 HydrophobicContact CD1-CZ 4.43Å; L498-F500 HydrophobicContact CD2-CZ 4.31Å; L498-F500 HydrophobicContact CG-CE2 4.44Å; L498-F500 PolarHBondContact O-N 2.71Å; L498-A630 HydrophobicContact CD1-CB 4.17Å; L498-Y633 HydrophobicContact CD1-CD1 3.95Å; L498-Y633 HydrophobicContact CD2-CD1 3.95Å; L498-Y633 HydrophobicContact CD2-CE1 3.97Å; L498-L726 HydrophobicContact CD2-CD1 3.77Å
499	P	97.3	Very high	96.4	Very high	70 Å²	70	62.8 Å²	62.8	46%	0.455	38%	0.381	S	S	.	.	S	Bend	trans	-76.5	5.1	179.7	33	-35.3	0	0	0	113.6	L726	P499-L726 HydrophobicContact CG-CD1 3.94Å; P499-L726 HydrophobicContact CG-CD2 4.37Å; P499-L726 HydrophobicContact CG-CG 4.1Å
500	F	97.5	Very high	96.5	Very high	16 Å²	16	59.6 Å²	59.6	7%	0.07	35%	0.354	C	S	.	.			trans	-137.3	152.6	177	43.9	-101.9	0	0	0	109.4	L498 L629 A630 Y633 L726 A729 H730 A733	L498-F500 HydrophobicContact CB-CD2 4.33Å; L498-F500 HydrophobicContact CB-CE2 4.15Å; L498-F500 HydrophobicContact CB-CZ 4.44Å; L498-F500 HydrophobicContact CD1-CE2 3.92Å; L498-F500 HydrophobicContact CD1-CZ 4.43Å; L498-F500 HydrophobicContact CD2-CZ 4.31Å; L498-F500 HydrophobicContact CG-CE2 4.44Å; L498-F500 PolarHBondContact O-N 2.71Å; F500-L629 HydrophobicContact CB-CD2 4.37Å; F500-L629 HydrophobicContact CD1-CD2 4.4Å; F500-L629 HydrophobicContact CD2-CB 4.23Å; F500-L629 HydrophobicContact CD2-CD2 3.79Å; F500-L629 HydrophobicContact CD2-CG 3.73Å; F500-L629 HydrophobicContact CE2-CD2 4.15Å; F500-L629 HydrophobicContact CE2-CG 3.88Å; F500-L629 HydrophobicContact CG-CD2 3.93Å; F500-L629 HydrophobicContact CG-CG 4.39Å; F500-A630 HydrophobicContact CD2-CB 4.34Å; F500-A630 WeakPolarHBondContact O-CB 3.02Å; F500-Y633 HydrophobicContact CE2-CD1 4.37Å; F500-Y633 HydrophobicContact CE2-CD2 4.45Å; F500-Y633 AromaticContact CE2-CG 3.99Å; F500-Y633 HydrophobicContact CE2-CG 3.99Å; F500-Y633 HydrophobicContact CZ-CD1 4.08Å; F500-Y633 AromaticContact CZ-CD2 3.96Å; F500-Y633 HydrophobicContact CZ-CD2 3.96Å; F500-Y633 HydrophobicContact CZ-CE1 4.46Å; F500-Y633 HydrophobicContact CZ-CE2 4.33Å; F500-Y633 AromaticContact CZ-CG 3.82Å; F500-Y633 HydrophobicContact CZ-CG 3.82Å; F500-L726 HydrophobicContact CE1-CD1 4.04Å; F500-L726 HydrophobicContact CZ-CD1 4.27Å; F500-A729 HydrophobicContact CE1-CB 3.66Å; F500-A729 HydrophobicContact CZ-CB 3.69Å; F500-H730 HydrophobicContact CD1-CB 4.27Å; F500-H730 HydrophobicContact CE1-CB 4.44Å; F500-A733 HydrophobicContact CB-CB 3.92Å; F500-A733 HydrophobicContact CD1-CB 4.41Å; F500-A733 HydrophobicContact CG-CB 4.38Å
501	G	96.3	Very high	96.4	Very high	37 Å²	37	59 Å²	59	38%	0.381	35%	0.35	S	S	.	.			trans	-123	-133.9	179.4	0	0	0	0	0	111.6	L629 A630	G501-L629 PolarHBondContact O-N 2.95Å; G501-A630 PolarHBondContact O-N 2.98Å
502	D	97.7	Very high	96.3	Very high	66 Å²	66	57.1 Å²	57.1	35%	0.353	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-84	115.5	166.5	-165.8	-22.2	0	0	0	110.3	D504 P505 G627 N628	D502-D504 VanDerWaalsContact C-N 3.28Å; D502-D504 PolarHBondContact OD1-N 2.77Å; D502-P505 HydrophobicContact CB-CG 4.19Å; D502-G627 VanDerWaalsContact OD1-CA 3.31Å; D502-G627 WeakPolarHBondContact OD1-CA 3.25Å; D502-N628 HydrophobicContact CB-CB 4.2Å; D502-N628 PolarHBondContact OD1-N 3.46Å
503	L	97.1	Very high	96.3	Very high	32 Å²	32	55.8 Å²	55.8	17%	0.168	33%	0.333	C	S	.	.	S	Bend	trans	-74.6	-21.4	-176.9	-57.3	-179.6	0	0	0	112.3	I510 G627 L629 M732 A733 V736	L503-I510 HydrophobicContact CB-CD1 3.64Å; L503-I510 HydrophobicContact CD1-CD1 4.42Å; L503-G627 PolarHBondContact N-O 2.68Å; L503-L629 HydrophobicContact CD1-CB 4.2Å; L503-L629 HydrophobicContact CD1-CD2 4.1Å; L503-L629 HydrophobicContact CG-CB 4.27Å; L503-M732 HydrophobicContact CD1-SD 4.47Å; L503-A733 HydrophobicContact CD1-CB 4.34Å; L503-A733 HydrophobicContact CD2-CB 3.9Å; L503-V736 HydrophobicContact CD1-CB 4.42Å; L503-V736 HydrophobicContact CD1-CG1 4.18Å
504	D	96.8	Very high	96.4	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.027	32%	0.324	C	S	.	.			trans	-145.2	76.7	177.1	-178.3	20	0	0	0	111.1	D502 T506 G507 K508 F509 I510 I740	D502-D504 VanDerWaalsContact C-N 3.28Å; D502-D504 PolarHBondContact OD1-N 2.77Å; D504-T506 PolarHBondContact O-N 3.41Å; D504-T506 PolarHBondContact OD1-N 3.38Å; D504-T506 PolarHBondContact OD1-OG1 3.29Å; D504-G507 PolarHBondContact O-N 3.04Å; D504-G507 PolarHBondContact OD1-N 2.98Å; D504-G507 VanDerWaalsContact OD2-C 3.26Å; D504-G507 WeakPolarHBondContact OD2-CA 3.41Å; D504-G507 PolarHBondContact OD2-N 3.24Å; D504-K508 PolarHBondContact OD2-N 2.95Å; D504-F509 WeakPolarHBondContact OD2-CA 3.09Å; D504-F509 PolarHBondContact OD2-N 3.24Å; D504-I510 HydrophobicContact CB-CB 4.1Å; D504-I510 HydrophobicContact CB-CD1 3.78Å; D504-I510 HydrophobicContact CB-CG1 3.93Å; D504-I510 PolarHBondContact OD2-N 3.42Å; D504-I740 HydrophobicContact CB-CD1 4.38Å
505	P	94.5	Very high	96.4	Very high	106 Å²	106	52.1 Å²	52.1	69%	0.688	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.1	176.9	-22.7	33.1	0	0	0	113.7	D502	D502-P505 HydrophobicContact CB-CG 4.19Å
506	T	93.2	Very high	96.4	Very high	80 Å²	80	51.6 Å²	51.6	49%	0.491	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-17.3	179.3	72.5	0	0	0	0	113.4	D504 K508	D504-T506 PolarHBondContact O-N 3.41Å; D504-T506 PolarHBondContact OD1-N 3.38Å; D504-T506 PolarHBondContact OD1-OG1 3.29Å; T506-K508 PolarHBondContact O-N 3.42Å; T506-K508 WeakPolarHBondContact OG1-CB 3.43Å; T506-K508 WeakPolarHBondContact OG1-CG 2.98Å; T506-K508 PolarHBondContact OG1-N 2.84Å
507	G	91.9	Very high	96.5	Very high	46 Å²	46	46.6 Å²	46.6	47%	0.474	26%	0.261	S	S	.	.			trans	64.4	14.6	-174.9	0	0	0	0	0	115	D504	D504-G507 PolarHBondContact O-N 3.04Å; D504-G507 PolarHBondContact OD1-N 2.98Å; D504-G507 VanDerWaalsContact OD2-C 3.26Å; D504-G507 WeakPolarHBondContact OD2-CA 3.41Å; D504-G507 PolarHBondContact OD2-N 3.24Å
508	K	94.2	Very high	96.6	Very high	151 Å²	151	38.5 Å²	38.5	66%	0.657	23%	0.226	S	C	*	.	S	Bend	trans	-79.3	-34.2	-175	-72.7	-178.1	178.2	-177.6	0	113.2	D504 T506	D504-K508 PolarHBondContact OD2-N 2.95Å; T506-K508 PolarHBondContact O-N 3.42Å; T506-K508 WeakPolarHBondContact OG1-CB 3.43Å; T506-K508 WeakPolarHBondContact OG1-CG 2.98Å; T506-K508 PolarHBondContact OG1-N 2.84Å
509	F	96.6	Very high	96.6	Very high	28 Å²	28	37.1 Å²	37.1	12%	0.123	22%	0.219	C	C	.	.	S	Bend	trans	-106.7	-44.9	-172.1	-57.3	-85.5	0	0	0	111.3	D504 L675 K676 I740 E743 K744	D504-F509 WeakPolarHBondContact OD2-CA 3.09Å; D504-F509 PolarHBondContact OD2-N 3.24Å; F509-L675 HydrophobicContact CB-CD1 3.94Å; F509-K676 WeakPolarHBondContact O-CB 3.36Å; F509-K676 PolarHBondContact O-N 2.92Å; F509-I740 HydrophobicContact CB-CD1 4.05Å; F509-I740 HydrophobicContact CB-CG1 3.95Å; F509-I740 HydrophobicContact CD1-CG2 4.41Å; F509-I740 HydrophobicContact CD2-CG2 3.76Å; F509-I740 HydrophobicContact CE2-CG2 3.99Å; F509-I740 HydrophobicContact CG-CG1 4.13Å; F509-I740 HydrophobicContact CG-CG2 4Å; F509-I740 HydrophobicContact CZ-CG2 4.4Å; F509-E743 HydrophobicContact CD1-CB 4.46Å; F509-E743 HydrophobicContact CD1-CG 3.97Å; F509-E743 HydrophobicContact CE1-CB 4.14Å; F509-E743 HydrophobicContact CE1-CG 3.62Å; F509-K744 HydrophobicContact CE1-CG 4.28Å; F509-K744 HydrophobicContact CE2-CD 4.35Å; F509-K744 HydrophobicContact CE2-CG 4.15Å; F509-K744 HydrophobicContact CZ-CD 4.22Å; F509-K744 HydrophobicContact CZ-CG 3.53Å
510	I	97	Very high	96.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.9	-175.5	-59.4	172.5	0	0	0	110.1	L503 D504 S512 G626 V673 L675 V736 I740	L503-I510 HydrophobicContact CB-CD1 3.64Å; L503-I510 HydrophobicContact CD1-CD1 4.42Å; D504-I510 HydrophobicContact CB-CB 4.1Å; D504-I510 HydrophobicContact CB-CD1 3.78Å; D504-I510 HydrophobicContact CB-CG1 3.93Å; D504-I510 PolarHBondContact OD2-N 3.42Å; I510-S512 WeakPolarHBondContact CG2-O 3.26Å; I510-G626 WeakPolarHBondContact CG2-O 3.14Å; I510-V673 HydrophobicContact CD1-CG1 4.2Å; I510-V673 HydrophobicContact CG2-CB 4.02Å; I510-V673 HydrophobicContact CG2-CG1 4.12Å; I510-L675 HydrophobicContact CG1-CD1 3.7Å; I510-V736 HydrophobicContact CD1-CG1 4.02Å; I510-I740 HydrophobicContact CD1-CD1 4Å; I510-I740 HydrophobicContact CG1-CD1 4.11Å
511	V	94.7	Very high	96.8	Very high	43 Å²	43	33.5 Å²	33.5	26%	0.261	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-51	173.6	-179.9	0	0	0	0	109.9	Q625 G626 L674 K676	V511-Q625 PolarHBondContact O-OE1 3.17Å; V511-G626 PolarHBondContact O-N 2.94Å; V511-L674 HydrophobicContact CB-CB 4.19Å; V511-L674 HydrophobicContact CB-CD2 4.05Å; V511-L674 HydrophobicContact CB-CG 4.27Å; V511-L674 HydrophobicContact CG1-CD2 4.15Å; V511-L674 HydrophobicContact CG2-CD2 4.4Å; V511-L674 HydrophobicContact CG2-CG 4.49Å; V511-L674 PolarHBondContact N-O 3.47Å; V511-K676 HydrophobicContact CG2-CD 4.03Å; V511-K676 VanDerWaalsContact CG2-CE 3.44Å; V511-K676 HydrophobicContact CG2-CG 4.07Å
512	S	95.7	Very high	96.8	Very high	22 Å²	22	35.3 Å²	35.3	15%	0.154	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	154.5	-179.8	61.6	0	0	0	0	111.6	I510 Q624 G626 V673 L674	I510-S512 WeakPolarHBondContact CG2-O 3.26Å; S512-Q624 WeakPolarHBondContact CA-O 3.36Å; S512-Q624 WeakPolarHBondContact CB-O 3.43Å; S512-G626 CarbonylContact C-O 3.49Å; S512-V673 WeakPolarHBondContact O-CA 3.47Å; S512-L674 PolarHBondContact O-N 3.07Å
513	T	98.2	Very high	96.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.7	175.3	-57.2	0	0	0	0	109.3	M623 Q624 G626 G627 L629 V632 V673	T513-M623 CarbonylContact O-C 3.25Å; T513-M623 WeakPolarHBondContact O-CA 3.43Å; T513-M623 WeakPolarHBondContact O-CB 3.17Å; T513-Q624 PolarHBondContact N-O 3.21Å; T513-Q624 PolarHBondContact O-N 3.03Å; T513-G626 WeakPolarHBondContact CB-O 3.43Å; T513-G626 PolarHBondContact N-O 3.33Å; T513-G626 PolarHBondContact OG1-O 3.43Å; T513-G627 WeakPolarHBondContact OG1-CA 3.48Å; T513-L629 HydrophobicContact CG2-CB 4.13Å; T513-L629 HydrophobicContact CG2-CD1 3.78Å; T513-V632 HydrophobicContact CG2-CB 4.37Å; T513-V632 HydrophobicContact CG2-CG2 4.17Å; T513-V673 HydrophobicContact CG2-CG1 4.05Å
514	R	98.1	Very high	96.7	Very high	49 Å²	49	39.5 Å²	39.5	19%	0.185	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	132.5	-177.5	175.4	172.8	-179.2	-92.3	4.2	111.2	I621 S622 M623 S672	R514-I621 HydrophobicContact CG-CG2 4.08Å; R514-I621 VanDerWaalsContact NE-CG2 3.35Å; R514-S622 CarbonylContact C-O 3.51Å; R514-S622 WeakPolarHBondContact CA-O 3.29Å; R514-M623 HydrophobicContact CB-CB 3.86Å; R514-M623 HydrophobicContact CB-CE 4.43Å; R514-M623 HydrophobicContact CG-CB 4.03Å; R514-M623 HydrophobicContact CG-CE 4.43Å; R514-S672 PolarHBondContact N-O 2.89Å; R514-S672 PolarHBondContact O-N 2.81Å; R514-S672 PolarHBondContact O-OG 3.45Å; R514-S672 VanDerWaalsContact O-OG 3.09Å
515	V	98.5	Very high	96.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.5	170.3	-168.8	0	0	0	0	108.7	S622 L629 V632 L636 M669 R670 A671	V515-S622 PolarHBondContact N-O 2.8Å; V515-S622 PolarHBondContact O-N 2.92Å; V515-L629 HydrophobicContact CG2-CD1 3.56Å; V515-V632 HydrophobicContact CB-CG1 4.15Å; V515-V632 HydrophobicContact CG2-CG1 3.8Å; V515-L636 HydrophobicContact CB-CD2 3.75Å; V515-L636 HydrophobicContact CG1-CD2 3.37Å; V515-M669 HydrophobicContact CG1-CE 4.26Å; V515-M669 HydrophobicContact CG1-CG 3.79Å; V515-M669 HydrophobicContact CG1-SD 3.89Å; V515-R670 WeakPolarHBondContact CA-O 3.43Å; V515-A671 HydrophobicContact CG1-CB 4.11Å; V515-A671 HydrophobicContact CG2-CB 3.98Å
516	R	98.2	Very high	97	Very high	27 Å²	27	35 Å²	35	10%	0.102	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.5	178.6	71.3	96.2	173.8	-175.6	2.7	112.8	I620 I621 M669 R670	R516-I620 CarbonylContact C-O 3.59Å; R516-I620 WeakPolarHBondContact CA-O 3.24Å; R516-I620 WeakPolarHBondContact CB-O 3.37Å; R516-I621 HydrophobicContact CB-CB 4.36Å; R516-I621 HydrophobicContact CB-CG1 3.81Å; R516-M669 WeakPolarHBondContact O-CA 3.28Å; R516-R670 HydrophobicContact CG-CB 4.12Å; R516-R670 PolarHBondContact N-O 3.28Å; R516-R670 PolarHBondContact O-N 3.24Å
517	V	98.7	Very high	97.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149.5	170	-64	0	0	0	0	111.7	R519 R619 I620 L636 I640 S668 M669	V517-R519 HydrophobicContact CG2-CG 4.31Å; V517-R619 WeakPolarHBondContact O-CA 3.48Å; V517-I620 HydrophobicContact CG2-CB 3.93Å; V517-I620 HydrophobicContact CG2-CD1 4.33Å; V517-I620 HydrophobicContact CG2-CG1 4.47Å; V517-I620 PolarHBondContact N-O 3.14Å; V517-I620 PolarHBondContact O-N 2.75Å; V517-L636 HydrophobicContact CG1-CD2 4.4Å; V517-I640 HydrophobicContact CB-CD1 4.45Å; V517-I640 HydrophobicContact CG1-CD1 4.12Å; V517-I640 HydrophobicContact CG2-CD1 3.5Å; V517-I640 VanDerWaalsContact CG2-CD1 3.5Å; V517-I640 HydrophobicContact CG2-CG1 3.92Å; V517-S668 WeakPolarHBondContact CA-O 3.45Å; V517-M669 HydrophobicContact CG1-CB 4.01Å; V517-M669 HydrophobicContact CG1-CE 3.98Å; V517-M669 HydrophobicContact CG1-CG 4.29Å
518	G	98.5	Very high	97.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	141.3	161	0	0	0	0	0	110.6	M618 S668	G518-M618 WeakPolarHBondContact CA-O 3.28Å; G518-S668 VanDerWaalsContact CA-OG 3.31Å; G518-S668 WeakPolarHBondContact CA-OG 3.31Å; G518-S668 PolarHBondContact N-OG 2.81Å; G518-S668 WeakPolarHBondContact O-CB 3.48Å; G518-S668 PolarHBondContact O-OG 3.07Å
519	R	98.7	Very high	97.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	137.1	172.5	-68.5	-64.5	179.9	-99	5.8	110.3	V517 M618 I620 F649 Y657 T667	V517-R519 HydrophobicContact CG2-CG 4.31Å; R519-M618 HydrophobicContact CB-CB 4.48Å; R519-M618 HydrophobicContact CB-CE 4.05Å; R519-M618 PolarHBondContact N-O 3.18Å; R519-M618 PolarHBondContact O-N 3.06Å; R519-I620 HydrophobicContact CG-CD1 4.11Å; R519-F649 HydrophobicContact CB-CD1 3.92Å; R519-F649 HydrophobicContact CB-CE1 4.1Å; R519-F649 HydrophobicContact CB-CG 4.37Å; R519-F649 HydrophobicContact CG-CD1 4.2Å; R519-F649 HydrophobicContact CG-CD2 4.35Å; R519-F649 HydrophobicContact CG-CE1 4.24Å; R519-F649 HydrophobicContact CG-CE2 4.37Å; R519-F649 HydrophobicContact CG-CG 4.27Å; R519-F649 HydrophobicContact CG-CZ 4.31Å; R519-Y657 VanDerWaalsContact NH2-CD2 3.33Å; R519-T667 PolarHBondContact NH1-O 3.22Å
520	S	98.8	Very high	97.9	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	11%	0.105	C	C	.	.			trans	-104.8	144	168.7	-51	0	0	0	0	109.2	F526 F649 A650 I658	S520-F526 WeakPolarHBondContact OG-CE1 3.35Å; S520-F649 CarbonylContact O-C 3.52Å; S520-F649 VanDerWaalsContact O-CA 3.24Å; S520-F649 WeakPolarHBondContact O-CA 3.25Å; S520-A650 PolarHBondContact O-N 3.11Å; S520-I658 VanDerWaalsContact CB-O 3.31Å; S520-I658 WeakPolarHBondContact CB-O 3.49Å; S520-I658 PolarHBondContact OG-O 3.46Å
521	V	98.7	Very high	98	Very high	9 Å²	9	21.1 Å²	21.1	6%	0.055	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-90.9	134.5	174	-175	0	0	0	0	108.1	F524 L538 I542 H617 M618 M647	V521-F524 HydrophobicContact CB-CD2 4.12Å; V521-F524 HydrophobicContact CG1-CD2 3.89Å; V521-F524 HydrophobicContact CG1-CE2 4.08Å; V521-L538 HydrophobicContact CB-CD1 3.93Å; V521-L538 HydrophobicContact CG2-CD1 3.82Å; V521-I542 HydrophobicContact CG2-CD1 4.34Å; V521-I542 HydrophobicContact CG2-CG1 4.36Å; V521-H617 HydrophobicContact CG2-CB 4.22Å; V521-H617 PolarHBondContact N-ND1 2.97Å; V521-M618 HydrophobicContact CG2-CE 3.65Å; V521-M647 HydrophobicContact CG1-CB 4.14Å; V521-M647 HydrophobicContact CG2-CG 4.43Å; V521-M647 HydrophobicContact CG2-SD 3.64Å
522	E	97.9	Very high	98.2	Very high	75 Å²	75	24 Å²	24	35%	0.35	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	152.5	174.8	-69.8	-176.2	166.8	0	0	111.7	F524 K648 A650	E522-F524 VanDerWaalsContact O-CD2 3.29Å; E522-F524 WeakPolarHBondContact O-CD2 3.5Å; E522-F524 PolarHBondContact O-N 3.39Å; E522-K648 HydrophobicContact CB-CB 4.41Å; E522-K648 HydrophobicContact CG-CB 4.03Å; E522-K648 PolarHBondContact N-O 2.88Å; E522-K648 WeakPolarHBondContact OE2-CB 3.3Å; E522-K648 WeakPolarHBondContact OE2-CD 3.48Å; E522-A650 HydrophobicContact CG-CB 4.37Å
523	D	93.9	Very high	98.3	Very high	160 Å²	160	28 Å²	28	86%	0.856	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	13.5	176.4	-50.3	-36.5	0	0	0	116.8
524	F	98.6	Very high	98.3	Very high	26 Å²	26	30 Å²	30	11%	0.114	15%	0.152	C	C	.	.			trans	-117.8	134.8	172.1	-72.1	-89.3	0	0	0	111.4	V521 E522 D534 K537 L538 V541 H617	V521-F524 HydrophobicContact CB-CD2 4.12Å; V521-F524 HydrophobicContact CG1-CD2 3.89Å; V521-F524 HydrophobicContact CG1-CE2 4.08Å; E522-F524 VanDerWaalsContact O-CD2 3.29Å; E522-F524 WeakPolarHBondContact O-CD2 3.5Å; E522-F524 PolarHBondContact O-N 3.39Å; F524-D534 HydrophobicContact CD1-CB 4.49Å; F524-K537 HydrophobicContact CE1-CB 4.02Å; F524-K537 HydrophobicContact CE1-CD 4.02Å; F524-K537 HydrophobicContact CE1-CG 3.98Å; F524-K537 HydrophobicContact CZ-CB 4.43Å; F524-K537 HydrophobicContact CZ-CD 4.07Å; F524-K537 HydrophobicContact CZ-CG 3.94Å; F524-L538 HydrophobicContact CB-CD1 4.36Å; F524-L538 HydrophobicContact CD1-CB 3.86Å; F524-L538 HydrophobicContact CD1-CD1 4.15Å; F524-L538 HydrophobicContact CD2-CD1 3.85Å; F524-L538 HydrophobicContact CE1-CB 3.76Å; F524-L538 HydrophobicContact CE1-CD1 4.38Å; F524-L538 HydrophobicContact CE2-CD1 4.11Å; F524-L538 HydrophobicContact CG-CB 4.44Å; F524-L538 HydrophobicContact CG-CD1 3.88Å; F524-L538 HydrophobicContact CZ-CB 4.29Å; F524-L538 HydrophobicContact CZ-CD1 4.36Å; F524-V541 HydrophobicContact CZ-CG2 4.43Å; F524-H617 WeakPolarHBondContact CB-CE1 3.32Å
525	L	98.8	Very high	98.4	Very high	15 Å²	15	27.7 Å²	27.7	8%	0.079	14%	0.143	C	C	.	.			trans	-58.4	149.2	162.7	-69.7	178.7	0	0	0	109.9	V393 H435 E459 I529 M530 H617	V393-L525 HydrophobicContact CG2-CD1 3.67Å; H435-L525 HydrophobicContact CB-CD2 3.64Å; H435-L525 HydrophobicContact CB-CG 4.3Å; E459-L525 HydrophobicContact CB-CD2 3.77Å; E459-L525 HydrophobicContact CG-CD2 4.16Å; L525-I529 HydrophobicContact CB-CG1 4.36Å; L525-I529 HydrophobicContact CD1-CD1 4.42Å; L525-I529 HydrophobicContact CD1-CG1 4.3Å; L525-I529 HydrophobicContact CD2-CD1 4.05Å; L525-I529 HydrophobicContact CD2-CG1 4.35Å; L525-M530 HydrophobicContact CB-CB 3.62Å; L525-M530 WeakPolarHBondContact O-CB 3.14Å; L525-H617 PolarHBondContact O-NE2 3.13Å
526	F	98.9	Very high	98.4	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.009	16%	0.158	C	C	.	.			trans	-73.3	160.8	179.9	-66.3	-13.3	0	0	0	112.8	T457 G458 E459 A460 S520 T528 I529 M530 H617 I658 T659 C660	T457-F526 WeakPolarHBondContact OG1-CD2 3.43Å; T457-F526 VanDerWaalsContact OG1-CE2 3.25Å; T457-F526 WeakPolarHBondContact OG1-CE2 3.39Å; G458-F526 WeakPolarHBondContact O-CB 3.39Å; G458-F526 PolarHBondContact O-N 2.9Å; E459-F526 VanDerWaalsContact C-CE2 3.4Å; A460-F526 HydrophobicContact CB-CZ 4.14Å; A460-F526 VanDerWaalsContact N-CZ 3.3Å; S520-F526 WeakPolarHBondContact OG-CE1 3.35Å; F526-T528 PolarHBondContact O-N 2.92Å; F526-I529 PolarHBondContact O-N 2.99Å; F526-I529 VanDerWaalsContact O-N 3.11Å; F526-M530 WeakPolarHBondContact O-CB 3.5Å; F526-M530 WeakPolarHBondContact O-CG 3.49Å; F526-M530 PolarHBondContact O-N 2.98Å; F526-H617 AromaticContact CD1-CE1 3.94Å; F526-H617 AromaticContact CD1-NE2 3.74Å; F526-I658 HydrophobicContact CE2-CG2 4.47Å; F526-I658 HydrophobicContact CZ-CG2 3.98Å; F526-T659 WeakPolarHBondContact CE2-O 3.46Å; F526-C660 HydrophobicContact CD2-CB 4.05Å; F526-C660 HydrophobicContact CG-CB 4.49Å
527	P	98.8	Very high	98.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-15.6	-176.9	-27.4	38	0	0	0	115.2	M530 R535 G590 E614 E615	P527-M530 HydrophobicContact CB-SD 4.41Å; P527-M530 HydrophobicContact CG-SD 4.38Å; P527-R535 PolarHBondContact O-NH1 2.94Å; P527-R535 PolarHBondContact O-NH2 2.79Å; P527-G590 WeakPolarHBondContact O-CA 3.31Å; P527-E614 WeakPolarHBondContact CB-O 3.09Å; P527-E615 WeakPolarHBondContact CD-O 3.41Å; P527-E615 WeakPolarHBondContact CG-O 3.11Å
528	T	98.8	Very high	98.4	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.012	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-58.1	172.3	47.7	0	0	0	0	111.4	R456 T457 F526 A588 G589 R592 C660	R456-T528 HydrophobicContact CB-CG2 3.9Å; T457-T528 PolarHBondContact O-OG1 3.31Å; F526-T528 PolarHBondContact O-N 2.92Å; T528-A588 VanDerWaalsContact CA-O 3.31Å; T528-A588 WeakPolarHBondContact CA-O 3.42Å; T528-A588 WeakPolarHBondContact CB-O 3.44Å; T528-A588 HydrophobicContact CG2-CB 3.97Å; T528-A588 WeakPolarHBondContact CG2-O 3.31Å; T528-G589 CarbonylContact O-C 3.59Å; T528-G589 VanDerWaalsContact O-C 3.27Å; T528-G589 VanDerWaalsContact O-CA 3.29Å; T528-G589 WeakPolarHBondContact O-CA 3.46Å; T528-R592 PolarHBondContact O-NE 3.31Å; T528-R592 PolarHBondContact O-NH2 3.45Å; T528-C660 WeakPolarHBondContact CG2-SG 3.42Å
529	I	98.8	Very high	98.4	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-11.6	-168.1	72.1	168.1	0	0	0	114.7	V393 M394 A437 H441 G458 L525 F526 R592	V393-I529 VanDerWaalsContact CA-O 3.3Å; V393-I529 WeakPolarHBondContact CA-O 3.4Å; V393-I529 HydrophobicContact CG1-CB 4.02Å; V393-I529 HydrophobicContact CG1-CD1 4.1Å; V393-I529 HydrophobicContact CG1-CG1 4.31Å; M394-I529 HydrophobicContact CB-CB 4.24Å; M394-I529 HydrophobicContact CB-CG2 4.2Å; M394-I529 PolarHBondContact N-O 2.87Å; A437-I529 HydrophobicContact CB-CD1 3.52Å; H441-I529 HydrophobicContact CB-CG2 4.16Å; G458-I529 WeakPolarHBondContact O-CG1 3.21Å; L525-I529 HydrophobicContact CB-CG1 4.36Å; L525-I529 HydrophobicContact CD1-CD1 4.42Å; L525-I529 HydrophobicContact CD1-CG1 4.3Å; L525-I529 HydrophobicContact CD2-CD1 4.05Å; L525-I529 HydrophobicContact CD2-CG1 4.35Å; F526-I529 PolarHBondContact O-N 2.99Å; F526-I529 VanDerWaalsContact O-N 3.11Å; I529-R592 PolarHBondContact O-NH2 3.39Å
530	M	98.7	Very high	98.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.			trans	-56	144.6	-177.8	71.9	-174.5	-54.1	0	0	113.9	L525 F526 P527 D534 R535 L538 R592	L525-M530 HydrophobicContact CB-CB 3.62Å; L525-M530 WeakPolarHBondContact O-CB 3.14Å; F526-M530 WeakPolarHBondContact O-CB 3.5Å; F526-M530 WeakPolarHBondContact O-CG 3.49Å; F526-M530 PolarHBondContact O-N 2.98Å; P527-M530 HydrophobicContact CB-SD 4.41Å; P527-M530 HydrophobicContact CG-SD 4.38Å; M530-D534 HydrophobicContact CB-CB 3.98Å; M530-D534 VanDerWaalsContact CE-C 3.43Å; M530-D534 HydrophobicContact CE-CB 3.54Å; M530-R535 HydrophobicContact CE-CB 4.31Å; M530-R535 HydrophobicContact CE-CG 3.75Å; M530-R535 HydrophobicContact CG-CG 3.71Å; M530-R535 HydrophobicContact SD-CG 3.62Å; M530-R535 PolarHBondContact SD-NH1 3.38Å; M530-L538 HydrophobicContact CE-CB 4.11Å; M530-L538 HydrophobicContact CE-CD2 3.69Å; M530-L538 HydrophobicContact SD-CD2 4.24Å; M530-R592 PolarHBondContact O-NH1 2.68Å; M530-R592 PolarHBondContact O-NH2 3.47Å
531	S	98.7	Very high	98.3	Very high	11 Å²	11	45 Å²	45	8%	0.077	23%	0.228	C	C	.	.			trans	-71.2	163.8	179.8	72.7	0	0	0	0	112.1	G392 T533 D534 R535	G392-S531 WeakPolarHBondContact O-CA 3.4Å; S531-T533 PolarHBondContact O-N 3.03Å; S531-T533 PolarHBondContact OG-N 3.48Å; S531-D534 WeakPolarHBondContact CB-OD2 3.46Å; S531-D534 PolarHBondContact N-OD2 3.05Å; S531-D534 WeakPolarHBondContact O-CB 3.46Å; S531-D534 PolarHBondContact O-N 3.19Å; S531-D534 VanDerWaalsContact O-N 3.17Å; S531-D534 PolarHBondContact OG-N 3.06Å; S531-D534 VanDerWaalsContact OG-N 3.09Å; S531-D534 PolarHBondContact OG-OD2 3.02Å; S531-R535 WeakPolarHBondContact O-CG 3.25Å; S531-R535 PolarHBondContact O-N 2.89Å; S531-R535 VanDerWaalsContact O-N 3.08Å
532	K	98.4	Very high	98.3	Very high	104 Å²	104	44.6 Å²	44.6	45%	0.452	23%	0.225	S	C	.	.	H	α-helix	trans	-53.8	-40.8	170.4	-175.5	178.7	171	174.2	0	112.2	R535 I536 D593 V596	K532-R535 WeakPolarHBondContact O-CB 3.49Å; K532-R535 PolarHBondContact O-N 3.5Å; K532-I536 HydrophobicContact CG-CD1 4.34Å; K532-I536 WeakPolarHBondContact O-CG1 3.49Å; K532-I536 PolarHBondContact O-N 3.29Å; K532-I536 VanDerWaalsContact O-N 3.14Å; K532-D593 HydrophobicContact CB-CB 4.17Å; K532-D593 HydrophobicContact CD-CB 4.43Å; K532-D593 HydrophobicContact CG-CB 4.16Å; K532-V596 HydrophobicContact CG-CB 4.48Å; K532-V596 HydrophobicContact CG-CG1 3.97Å
533	T	98.4	Very high	98.3	Very high	106 Å²	106	41.6 Å²	41.6	65%	0.65	21%	0.212	S	C	*	.	H	α-helix	trans	-64.9	-41.3	178.6	-56.4	0	0	0	0	111.4	S531 R535 I536 K537	S531-T533 PolarHBondContact O-N 3.03Å; S531-T533 PolarHBondContact OG-N 3.48Å; T533-R535 VanDerWaalsContact C-N 3.28Å; T533-R535 PolarHBondContact O-N 3.38Å; T533-I536 PolarHBondContact O-N 2.97Å; T533-K537 PolarHBondContact O-N 3.47Å
534	D	98.4	Very high	98.5	Very high	43 Å²	43	36.1 Å²	36.1	23%	0.23	19%	0.193	C	C	.	.	H	α-helix	trans	-60.5	-40.6	174.8	-60.3	-40.1	0	0	0	111	F524 M530 S531 K537 L538	F524-D534 HydrophobicContact CD1-CB 4.49Å; M530-D534 HydrophobicContact CB-CB 3.98Å; M530-D534 VanDerWaalsContact CE-C 3.43Å; M530-D534 HydrophobicContact CE-CB 3.54Å; S531-D534 WeakPolarHBondContact CB-OD2 3.46Å; S531-D534 PolarHBondContact N-OD2 3.05Å; S531-D534 WeakPolarHBondContact O-CB 3.46Å; S531-D534 PolarHBondContact O-N 3.19Å; S531-D534 VanDerWaalsContact O-N 3.17Å; S531-D534 PolarHBondContact OG-N 3.06Å; S531-D534 VanDerWaalsContact OG-N 3.09Å; S531-D534 PolarHBondContact OG-OD2 3.02Å; D534-K537 PolarHBondContact O-N 2.9Å; D534-L538 WeakPolarHBondContact O-CB 3.33Å; D534-L538 PolarHBondContact O-N 2.72Å
535	R	98.6	Very high	98.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-44.4	179.8	-66.9	-175.2	-166.7	-76.9	3.1	112.2	P527 M530 S531 K532 T533 L538 E539 V596 R598 C613	P527-R535 PolarHBondContact O-NH1 2.94Å; P527-R535 PolarHBondContact O-NH2 2.79Å; M530-R535 HydrophobicContact CE-CB 4.31Å; M530-R535 HydrophobicContact CE-CG 3.75Å; M530-R535 HydrophobicContact CG-CG 3.71Å; M530-R535 HydrophobicContact SD-CG 3.62Å; M530-R535 PolarHBondContact SD-NH1 3.38Å; S531-R535 WeakPolarHBondContact O-CG 3.25Å; S531-R535 PolarHBondContact O-N 2.89Å; S531-R535 VanDerWaalsContact O-N 3.08Å; K532-R535 WeakPolarHBondContact O-CB 3.49Å; K532-R535 PolarHBondContact O-N 3.5Å; T533-R535 VanDerWaalsContact C-N 3.28Å; T533-R535 PolarHBondContact O-N 3.38Å; R535-L538 PolarHBondContact O-N 3.03Å; R535-E539 VanDerWaalsContact O-CB 3.28Å; R535-E539 WeakPolarHBondContact O-CB 3.38Å; R535-E539 PolarHBondContact O-N 3.39Å; R535-V596 WeakPolarHBondContact CD-O 3.44Å; R535-R598 VanDerWaalsContact NH1-CZ 3.25Å; R535-C613 PolarHBondContact NH1-SG 3Å
536	I	98.5	Very high	98.5	Very high	64 Å²	64	34.7 Å²	34.7	33%	0.328	19%	0.188	S	C	.	.	H	α-helix	trans	-61.7	-47	177.3	-66	166.6	0	0	0	110	K532 T533 E539 Q540 V596	K532-I536 HydrophobicContact CG-CD1 4.34Å; K532-I536 WeakPolarHBondContact O-CG1 3.49Å; K532-I536 PolarHBondContact O-N 3.29Å; K532-I536 VanDerWaalsContact O-N 3.14Å; T533-I536 PolarHBondContact O-N 2.97Å; I536-E539 PolarHBondContact O-N 2.94Å; I536-Q540 VanDerWaalsContact O-CG 3.31Å; I536-Q540 WeakPolarHBondContact O-CG 3.15Å; I536-Q540 PolarHBondContact O-N 3.24Å; I536-V596 HydrophobicContact CD1-CG1 4.06Å; I536-V596 HydrophobicContact CG1-CG1 3.61Å
537	K	98.4	Very high	98.4	Very high	125 Å²	125	41.2 Å²	41.2	54%	0.543	22%	0.217	S	C	.	.	H	α-helix	trans	-65.6	-41.8	179.7	-172.8	-174.7	178.1	-172.9	0	111.9	F524 T533 D534 Q540 V541	F524-K537 HydrophobicContact CE1-CB 4.02Å; F524-K537 HydrophobicContact CE1-CD 4.02Å; F524-K537 HydrophobicContact CE1-CG 3.98Å; F524-K537 HydrophobicContact CZ-CB 4.43Å; F524-K537 HydrophobicContact CZ-CD 4.07Å; F524-K537 HydrophobicContact CZ-CG 3.94Å; T533-K537 PolarHBondContact O-N 3.47Å; D534-K537 PolarHBondContact O-N 2.9Å; K537-Q540 PolarHBondContact O-N 3.26Å; K537-V541 WeakPolarHBondContact O-CG2 3.44Å; K537-V541 PolarHBondContact O-N 3.39Å; K537-V541 VanDerWaalsContact O-N 3.14Å
538	L	98.6	Very high	98.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-45.1	176.6	-179.7	67	0	0	0	111.3	V521 F524 M530 D534 R535 Q540 V541 I542 C613 H617	V521-L538 HydrophobicContact CB-CD1 3.93Å; V521-L538 HydrophobicContact CG2-CD1 3.82Å; F524-L538 HydrophobicContact CB-CD1 4.36Å; F524-L538 HydrophobicContact CD1-CB 3.86Å; F524-L538 HydrophobicContact CD1-CD1 4.15Å; F524-L538 HydrophobicContact CD2-CD1 3.85Å; F524-L538 HydrophobicContact CE1-CB 3.76Å; F524-L538 HydrophobicContact CE1-CD1 4.38Å; F524-L538 HydrophobicContact CE2-CD1 4.11Å; F524-L538 HydrophobicContact CG-CB 4.44Å; F524-L538 HydrophobicContact CG-CD1 3.88Å; F524-L538 HydrophobicContact CZ-CB 4.29Å; F524-L538 HydrophobicContact CZ-CD1 4.36Å; M530-L538 HydrophobicContact CE-CB 4.11Å; M530-L538 HydrophobicContact CE-CD2 3.69Å; M530-L538 HydrophobicContact SD-CD2 4.24Å; D534-L538 WeakPolarHBondContact O-CB 3.33Å; D534-L538 PolarHBondContact O-N 2.72Å; R535-L538 PolarHBondContact O-N 3.03Å; L538-Q540 VanDerWaalsContact C-N 3.33Å; L538-Q540 PolarHBondContact O-N 2.99Å; L538-V541 PolarHBondContact O-N 3.13Å; L538-I542 HydrophobicContact CD1-CD1 3.7Å; L538-I542 HydrophobicContact CD1-CG1 4.27Å; L538-I542 HydrophobicContact CD2-CD1 4.33Å; L538-I542 HydrophobicContact CG-CD1 3.7Å; L538-I542 WeakPolarHBondContact O-CG1 3.5Å; L538-I542 PolarHBondContact O-N 3.45Å; L538-C613 HydrophobicContact CD2-CB 4.5Å; L538-H617 HydrophobicContact CD1-CB 4.22Å; L538-H617 HydrophobicContact CD2-CB 3.88Å; L538-H617 VanDerWaalsContact CD2-CD2 3.43Å; L538-H617 WeakPolarHBondContact CD2-CD2 3.4Å; L538-H617 VanDerWaalsContact CD2-CG 3.49Å
539	E	98.5	Very high	98.4	Very high	27 Å²	27	44.5 Å²	44.5	13%	0.126	25%	0.247	C	C	.	.	H	α-helix	trans	-59.6	-42.4	175.4	174.5	178.5	-133.8	0	0	111.6	R535 I536 V541 I542 S543 Y557 G597	R535-E539 VanDerWaalsContact O-CB 3.28Å; R535-E539 WeakPolarHBondContact O-CB 3.38Å; R535-E539 PolarHBondContact O-N 3.39Å; I536-E539 PolarHBondContact O-N 2.94Å; E539-V541 PolarHBondContact O-N 2.9Å; E539-I542 PolarHBondContact O-N 2.75Å; E539-S543 WeakPolarHBondContact O-CA 3.45Å; E539-S543 WeakPolarHBondContact O-CB 3.3Å; E539-S543 PolarHBondContact O-N 3.08Å; E539-S543 PolarHBondContact O-OG 2.87Å; E539-Y557 HydrophobicContact CG-CE1 4.22Å; E539-Y557 WeakPolarHBondContact CG-OH 3.46Å; E539-Y557 PolarHBondContact OE1-OH 3.4Å; E539-Y557 VanDerWaalsContact OE1-OH 3.04Å; E539-G597 WeakPolarHBondContact OE2-CA 3.45Å
540	Q	98.1	Very high	98.4	Very high	125 Å²	125	49.8 Å²	49.8	58%	0.584	28%	0.279	S	S	*	.	H	α-helix	trans	-60.6	-45.6	176.9	-74.4	171.7	-5.8	0	0	111.9	I536 K537 L538 G544	I536-Q540 VanDerWaalsContact O-CG 3.31Å; I536-Q540 WeakPolarHBondContact O-CG 3.15Å; I536-Q540 PolarHBondContact O-N 3.24Å; K537-Q540 PolarHBondContact O-N 3.26Å; L538-Q540 VanDerWaalsContact C-N 3.33Å; L538-Q540 PolarHBondContact O-N 2.99Å; Q540-G544 PolarHBondContact O-N 3.37Å
541	V	98.1	Very high	98.3	Very high	51 Å²	51	52.9 Å²	52.9	31%	0.309	31%	0.312	S	S	.	.	H	α-helix	trans	-61.8	-49.4	177.2	171.6	0	0	0	0	110.9	F524 K537 L538 E539 A545 M647	F524-V541 HydrophobicContact CZ-CG2 4.43Å; K537-V541 WeakPolarHBondContact O-CG2 3.44Å; K537-V541 PolarHBondContact O-N 3.39Å; K537-V541 VanDerWaalsContact O-N 3.14Å; L538-V541 PolarHBondContact O-N 3.13Å; E539-V541 PolarHBondContact O-N 2.9Å; V541-A545 PolarHBondContact O-N 3.44Å; V541-M647 HydrophobicContact CG1-CB 4.18Å; V541-M647 HydrophobicContact CG1-CE 4.13Å; V541-M647 HydrophobicContact CG1-SD 4.45Å
542	I	98.7	Very high	98.3	Very high	0 Å²	0	57 Å²	57	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-70.1	-52.1	-175.9	-66.1	168.3	0	0	0	111	V521 L538 E539 G544 A545 L546 V612 H617 M618 M647	V521-I542 HydrophobicContact CG2-CD1 4.34Å; V521-I542 HydrophobicContact CG2-CG1 4.36Å; L538-I542 HydrophobicContact CD1-CD1 3.7Å; L538-I542 HydrophobicContact CD1-CG1 4.27Å; L538-I542 HydrophobicContact CD2-CD1 4.33Å; L538-I542 HydrophobicContact CG-CD1 3.7Å; L538-I542 WeakPolarHBondContact O-CG1 3.5Å; L538-I542 PolarHBondContact O-N 3.45Å; E539-I542 PolarHBondContact O-N 2.75Å; I542-G544 VanDerWaalsContact C-N 3.26Å; I542-G544 PolarHBondContact O-N 2.81Å; I542-A545 WeakPolarHBondContact O-CB 2.99Å; I542-A545 PolarHBondContact O-N 2.85Å; I542-A545 VanDerWaalsContact O-N 3.11Å; I542-L546 HydrophobicContact CG2-CD1 3.59Å; I542-L546 HydrophobicContact CG2-CG 4.08Å; I542-L546 VanDerWaalsContact O-CG 3.28Å; I542-L546 WeakPolarHBondContact O-CG 3.21Å; I542-L546 PolarHBondContact O-N 3.49Å; I542-V612 HydrophobicContact CB-CG1 4.29Å; I542-V612 HydrophobicContact CD1-CG1 3.95Å; I542-V612 HydrophobicContact CG2-CG1 4.1Å; I542-V612 HydrophobicContact CG2-CG2 3.67Å; I542-H617 HydrophobicContact CD1-CB 4.26Å; I542-M618 HydrophobicContact CD1-CE 4.46Å; I542-M618 HydrophobicContact CD1-CG 3.71Å; I542-M618 HydrophobicContact CD1-SD 4.14Å; I542-M618 HydrophobicContact CG1-CE 4.47Å; I542-M618 HydrophobicContact CG1-CG 4.19Å; I542-M618 HydrophobicContact CG1-SD 3.98Å; I542-M618 HydrophobicContact CG2-CG 3.96Å; I542-M618 HydrophobicContact CG2-SD 3.89Å; I542-M647 HydrophobicContact CG1-CE 4.31Å; I542-M647 HydrophobicContact CG1-SD 4.14Å
543	S	98	Very high	98.3	Very high	12 Å²	12	52.7 Å²	52.7	8%	0.084	31%	0.311	C	S	.	.	H	α-helix	trans	-63.4	-32.6	-178.3	69	0	0	0	0	112.4	E539 L546 K547	E539-S543 WeakPolarHBondContact O-CA 3.45Å; E539-S543 WeakPolarHBondContact O-CB 3.3Å; E539-S543 PolarHBondContact O-N 3.08Å; E539-S543 PolarHBondContact O-OG 2.87Å; S543-L546 PolarHBondContact O-N 3.34Å; S543-K547 WeakPolarHBondContact O-CB 3.3Å; S543-K547 WeakPolarHBondContact O-CD 3.23Å; S543-K547 WeakPolarHBondContact O-CG 3.46Å; S543-K547 PolarHBondContact O-N 3.34Å
544	G	98	Very high	98.3	Very high	44 Å²	44	49.3 Å²	49.3	45%	0.454	29%	0.294	S	S	.	.	H	α-helix	trans	-59.4	-46.9	171.9	0	0	0	0	0	112.3	Q540 I542 G548	Q540-G544 PolarHBondContact O-N 3.37Å; I542-G544 VanDerWaalsContact C-N 3.26Å; I542-G544 PolarHBondContact O-N 2.81Å; G544-G548 PolarHBondContact O-N 2.94Å
545	A	98.4	Very high	98.3	Very high	10 Å²	10	48.5 Å²	48.5	8%	0.083	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-42.5	175.8	0	0	0	0	0	112.3	V541 I542 G548 L549 M647	V541-A545 PolarHBondContact O-N 3.44Å; I542-A545 WeakPolarHBondContact O-CB 2.99Å; I542-A545 PolarHBondContact O-N 2.85Å; I542-A545 VanDerWaalsContact O-N 3.11Å; A545-G548 PolarHBondContact O-N 3.22Å; A545-L549 PolarHBondContact O-N 2.96Å; A545-M647 HydrophobicContact CB-CE 3.56Å
546	L	98.6	Very high	98.2	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-66.4	-42	-178.5	-65.1	175.4	0	0	0	112.5	I542 S543 G548 L549 Y557 F601 V610 V612 I643	I542-L546 HydrophobicContact CG2-CD1 3.59Å; I542-L546 HydrophobicContact CG2-CG 4.08Å; I542-L546 VanDerWaalsContact O-CG 3.28Å; I542-L546 WeakPolarHBondContact O-CG 3.21Å; I542-L546 PolarHBondContact O-N 3.49Å; S543-L546 PolarHBondContact O-N 3.34Å; L546-G548 PolarHBondContact O-N 2.9Å; L546-L549 HydrophobicContact CD2-CD1 3.89Å; L546-L549 WeakPolarHBondContact O-CB 3.43Å; L546-L549 WeakPolarHBondContact O-CG 3.48Å; L546-L549 PolarHBondContact O-N 3.29Å; L546-L549 VanDerWaalsContact O-N 3.15Å; L546-Y557 HydrophobicContact CD1-CD2 4.32Å; L546-F601 HydrophobicContact CB-CB 4.46Å; L546-F601 HydrophobicContact CB-CD2 3.77Å; L546-F601 HydrophobicContact CB-CE2 4.08Å; L546-F601 HydrophobicContact CB-CG 4.05Å; L546-F601 HydrophobicContact CD1-CB 3.74Å; L546-F601 HydrophobicContact CD1-CG 4.17Å; L546-F601 HydrophobicContact CD2-CD1 4.25Å; L546-F601 HydrophobicContact CD2-CG 4.33Å; L546-F601 HydrophobicContact CG-CB 4.48Å; L546-F601 HydrophobicContact CG-CG 4.41Å; L546-F601 VanDerWaalsContact O-CE2 3.31Å; L546-F601 WeakPolarHBondContact O-CE2 3.39Å; L546-V610 HydrophobicContact CD1-CB 4.13Å; L546-V610 HydrophobicContact CD1-CG1 4.18Å; L546-V610 HydrophobicContact CD2-CB 4.12Å; L546-V610 HydrophobicContact CD2-CG1 4.37Å; L546-V610 HydrophobicContact CD2-CG2 3.72Å; L546-V612 HydrophobicContact CD1-CG2 3.96Å; L546-I643 HydrophobicContact CD2-CD1 3.66Å; L546-I643 HydrophobicContact CD2-CG1 3.91Å
547	K	98.1	Very high	98.1	Very high	140 Å²	140	49.5 Å²	49.5	61%	0.609	30%	0.302	S	S	*	.	H	α-helix	trans	-64.3	-22.9	175.3	-72.1	167.1	-177.5	170.7	0	112.7	S543	S543-K547 WeakPolarHBondContact O-CB 3.3Å; S543-K547 WeakPolarHBondContact O-CD 3.23Å; S543-K547 WeakPolarHBondContact O-CG 3.46Å; S543-K547 PolarHBondContact O-N 3.34Å
548	G	97.7	Very high	98.1	Very high	54 Å²	54	45.6 Å²	45.6	56%	0.557	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-1.5	176.1	0	0	0	0	0	115	G544 A545 L546	G544-G548 PolarHBondContact O-N 2.94Å; A545-G548 PolarHBondContact O-N 3.22Å; L546-G548 PolarHBondContact O-N 2.9Å
549	L	98.4	Very high	98	Very high	16 Å²	16	47.2 Å²	47.2	8%	0.084	30%	0.295	C	S	.	.			trans	-67.8	141	177.7	-66.2	176.3	0	0	0	111.3	A545 L546 H553 A554 F601 F608 A642 I643	A545-L549 PolarHBondContact O-N 2.96Å; L546-L549 HydrophobicContact CD2-CD1 3.89Å; L546-L549 WeakPolarHBondContact O-CB 3.43Å; L546-L549 WeakPolarHBondContact O-CG 3.48Å; L546-L549 PolarHBondContact O-N 3.29Å; L546-L549 VanDerWaalsContact O-N 3.15Å; L549-H553 HydrophobicContact CB-CB 4Å; L549-H553 WeakPolarHBondContact CB-O 3.24Å; L549-H553 HydrophobicContact CD1-CB 4.26Å; L549-A554 WeakPolarHBondContact O-CA 3.31Å; L549-F601 HydrophobicContact CB-CZ 4.38Å; L549-F601 HydrophobicContact CD1-CE1 3.74Å; L549-F601 HydrophobicContact CD1-CZ 3.86Å; L549-F608 HydrophobicContact CD1-CE1 3.94Å; L549-A642 HydrophobicContact CD2-CB 3.46Å; L549-A642 VanDerWaalsContact CD2-CB 3.46Å; L549-I643 HydrophobicContact CD1-CG1 4.36Å; L549-I643 HydrophobicContact CD2-CG1 4.32Å
550	T	98.2	Very high	97.9	Very high	112 Å²	112	47.2 Å²	47.2	69%	0.687	30%	0.296	S	S	*	.			trans	-122.4	168.7	-174.8	60.8	0	0	0	0	111.8	H553	T550-H553 PolarHBondContact O-N 2.84Å
551	G	97.9	Very high	97.6	Very high	66 Å²	66	44.1 Å²	44.1	68%	0.68	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	65.7	-135.1	174.2	0	0	0	0	0	112.5	H553 A554	G551-H553 PolarHBondContact O-N 2.86Å; G551-H553 VanDerWaalsContact O-N 3.15Å; G551-A554 WeakPolarHBondContact O-CB 3.22Å; G551-A554 PolarHBondContact O-N 2.99Å; G551-A554 VanDerWaalsContact O-N 3.17Å
552	E	98.1	Very high	97.2	Very high	96 Å²	96	48 Å²	48	45%	0.449	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-60.5	-22.6	179	-167.6	179.9	-174	0	0	112.7	N603 R635	E552-N603 WeakPolarHBondContact O-CB 3.31Å; E552-N603 PolarHBondContact O-ND2 3.4Å; E552-R635 VanDerWaalsContact OE1-CD 3.32Å; E552-R635 WeakPolarHBondContact OE1-CD 3.42Å; E552-R635 IonicContact OE1-CZ 3.96Å; E552-R635 IonicContact OE1-NE 3.92Å; E552-R635 IonicContact OE1-NH1 4Å; E552-R635 PolarHBondContact OE1-NH1 3.36Å
553	H	98.6	Very high	96.8	Very high	15 Å²	15	49.3 Å²	49.3	7%	0.069	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-93.8	-6.4	-178.5	-55.9	87.2	0	0	0	114.1	L549 T550 G551 G555 F601 F608 R635 G639	L549-H553 HydrophobicContact CB-CB 4Å; L549-H553 WeakPolarHBondContact CB-O 3.24Å; L549-H553 HydrophobicContact CD1-CB 4.26Å; T550-H553 PolarHBondContact O-N 2.84Å; G551-H553 PolarHBondContact O-N 2.86Å; G551-H553 VanDerWaalsContact O-N 3.15Å; H553-G555 PolarHBondContact O-N 3.3Å; H553-F601 WeakPolarHBondContact O-CE1 3.39Å; H553-F601 VanDerWaalsContact O-CZ 3.28Å; H553-F601 WeakPolarHBondContact O-CZ 3.41Å; H553-F608 AromaticContact CD2-CD1 3.88Å; H553-F608 AromaticContact CD2-CD2 3.79Å; H553-F608 AromaticContact CD2-CE2 3.93Å; H553-F608 AromaticContact CD2-CG 3.76Å; H553-R635 PolarHBondContact NE2-O 3.11Å; H553-G639 PolarHBondContact NE2-N 3.27Å
554	A	98.5	Very high	96.3	Very high	35 Å²	35	55.3 Å²	55.3	29%	0.289	34%	0.335	S	S	.	.			trans	-62	134.3	177.5	0	0	0	0	0	110.7	L549 G551 N603	L549-A554 WeakPolarHBondContact O-CA 3.31Å; G551-A554 WeakPolarHBondContact O-CB 3.22Å; G551-A554 PolarHBondContact O-N 2.99Å; G551-A554 VanDerWaalsContact O-N 3.17Å; A554-N603 VanDerWaalsContact O-CA 3.29Å; A554-N603 WeakPolarHBondContact O-CA 3.45Å; A554-N603 VanDerWaalsContact O-CB 3.28Å; A554-N603 WeakPolarHBondContact O-CB 3.36Å
555	G	97.4	Very high	95.8	Very high	26 Å²	26	58.3 Å²	58.3	27%	0.268	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	-171.9	-170.7	0	0	0	0	0	114.1	H553 H602	H553-G555 PolarHBondContact O-N 3.3Å; G555-H602 WeakPolarHBondContact CA-O 3.39Å
556	T	97.1	Very high	95.5	Very high	62 Å²	62	64.5 Å²	64.5	38%	0.38	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.7	-176.8	-57.1	0	0	0	0	109.9	Y558 F601 H602	T556-Y558 HydrophobicContact CG2-CD1 4.35Å; T556-Y558 HydrophobicContact CG2-CD2 4.18Å; T556-Y558 HydrophobicContact CG2-CE1 3.84Å; T556-Y558 HydrophobicContact CG2-CE2 3.63Å; T556-Y558 VanDerWaalsContact CG2-CZ 3.45Å; T556-Y558 WeakPolarHBondContact O-CD2 3.28Å; T556-Y558 WeakPolarHBondContact O-CE2 3.4Å; T556-F601 WeakPolarHBondContact O-CA 3.23Å; T556-F601 WeakPolarHBondContact O-CD2 3.38Å; T556-H602 PolarHBondContact N-O 3.06Å; T556-H602 PolarHBondContact O-N 3.1Å
557	Y	97.8	Very high	95.1	Very high	22 Å²	22	66.1 Å²	66.1	9%	0.086	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.5	171.2	-177.2	-113.2	0	0	0	110.2	E539 L546 P559 G599 F601 V612	E539-Y557 HydrophobicContact CG-CE1 4.22Å; E539-Y557 WeakPolarHBondContact CG-OH 3.46Å; E539-Y557 PolarHBondContact OE1-OH 3.4Å; E539-Y557 VanDerWaalsContact OE1-OH 3.04Å; L546-Y557 HydrophobicContact CD1-CD2 4.32Å; Y557-P559 HydrophobicContact CE1-CB 4.06Å; Y557-P559 WeakPolarHBondContact O-CD 3.43Å; Y557-G599 WeakPolarHBondContact OH-CA 3.48Å; Y557-F601 HydrophobicContact CD2-CB 4.07Å; Y557-V612 HydrophobicContact CE2-CB 4.27Å; Y557-V612 HydrophobicContact CE2-CG2 3.66Å
558	Y	96.7	Very high	94.7	Very high	43 Å²	43	64.1 Å²	64.1	17%	0.169	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	95.6	179.8	-56.7	-92.5	0	0	0	108.8	T556 D567 L571 G599 I600 H602	T556-Y558 HydrophobicContact CG2-CD1 4.35Å; T556-Y558 HydrophobicContact CG2-CD2 4.18Å; T556-Y558 HydrophobicContact CG2-CE1 3.84Å; T556-Y558 HydrophobicContact CG2-CE2 3.63Å; T556-Y558 VanDerWaalsContact CG2-CZ 3.45Å; T556-Y558 WeakPolarHBondContact O-CD2 3.28Å; T556-Y558 WeakPolarHBondContact O-CE2 3.4Å; Y558-D567 HydrophobicContact CD1-CB 4.14Å; Y558-D567 HydrophobicContact CE1-CB 4.27Å; Y558-L571 HydrophobicContact CG-CD1 4.47Å; Y558-G599 VanDerWaalsContact O-CA 3.24Å; Y558-G599 WeakPolarHBondContact O-CA 3.28Å; Y558-I600 WeakPolarHBondContact CD2-O 3.49Å; Y558-I600 PolarHBondContact N-O 3.45Å; Y558-I600 PolarHBondContact O-N 3.23Å; Y558-H602 AromaticContact CE2-CD2 3.81Å; Y558-H602 AromaticContact CE2-CE1 3.81Å; Y558-H602 AromaticContact CE2-NE2 3.28Å; Y558-H602 VanDerWaalsContact CE2-NE2 3.28Å; Y558-H602 WeakPolarHBondContact CE2-NE2 3.38Å; Y558-H602 AromaticContact CZ-NE2 3.9Å
559	P	96.9	Very high	94.3	Very high	34 Å²	34	68.1 Å²	68.1	22%	0.221	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	139.4	172.1	28.9	-33.7	0	0	0	109.5	Y557 T561 M563	Y557-P559 HydrophobicContact CE1-CB 4.06Å; Y557-P559 WeakPolarHBondContact O-CD 3.43Å; P559-T561 VanDerWaalsContact C-N 3.26Å; P559-T561 PolarHBondContact O-N 3.07Å; P559-M563 WeakPolarHBondContact O-CB 3.45Å; P559-M563 PolarHBondContact O-N 2.85Å
560	L	96.1	Very high	93.9	Very high	27 Å²	27	71.2 Å²	71.2	14%	0.141	38%	0.379	C	S	.	.	S	Bend	trans	-71.7	-19.3	-179.5	-92.6	65.3	0	0	0	112.9	M563 L577 F578 W594 P595 R598 I600	L560-M563 HydrophobicContact CD1-CE 3.78Å; L560-M563 HydrophobicContact CG-CE 4.19Å; L560-L577 HydrophobicContact CD1-CD1 4.34Å; L560-L577 HydrophobicContact CG-CD1 4.4Å; L560-F578 HydrophobicContact CD1-CZ 4.38Å; L560-F578 HydrophobicContact CD2-CE2 4.12Å; L560-F578 HydrophobicContact CD2-CZ 4.21Å; L560-W594 HydrophobicContact CD2-CH2 3.69Å; L560-W594 HydrophobicContact CD2-CZ2 3.61Å; L560-P595 HydrophobicContact CB-CB 3.73Å; L560-P595 HydrophobicContact CB-CG 4.26Å; L560-P595 HydrophobicContact CD2-CB 4.32Å; L560-R598 HydrophobicContact CB-CB 4.41Å; L560-R598 WeakPolarHBondContact CB-O 3.4Å; L560-R598 HydrophobicContact CD2-CB 4.1Å; L560-R598 PolarHBondContact N-O 3.15Å; L560-I600 HydrophobicContact CD1-CD1 4.47Å; L560-I600 HydrophobicContact CD1-CG1 4.29Å
561	T	93.2	Very high	93.5	Very high	61 Å²	61	66 Å²	66	37%	0.374	35%	0.347	S	S	.	.	S	Bend	trans	-68.1	-38.9	178.1	48.9	0	0	0	0	112.9	P559 P595 V596	P559-T561 VanDerWaalsContact C-N 3.26Å; P559-T561 PolarHBondContact O-N 3.07Å; T561-P595 HydrophobicContact CG2-CG 4.07Å; T561-V596 HydrophobicContact CG2-CG2 4.41Å
562	D	89.1	Confident	92.9	Very high	131 Å²	131	65.8 Å²	65.8	70%	0.701	33%	0.332	S	S	*	.	S	Bend	trans	-122.7	22.7	-169.6	-55	-64.5	0	0	0	112.3	K564	D562-K564 PolarHBondContact O-N 3.01Å
563	M	89.3	Confident	92.3	Very high	28 Å²	28	67.6 Å²	67.6	14%	0.138	34%	0.34	C	S	.	.			trans	-68.3	128.8	-179.8	-169.2	177.4	-73.9	0	0	110.5	P559 L560 D567 R568 L571 L577	P559-M563 WeakPolarHBondContact O-CB 3.45Å; P559-M563 PolarHBondContact O-N 2.85Å; L560-M563 HydrophobicContact CD1-CE 3.78Å; L560-M563 HydrophobicContact CG-CE 4.19Å; M563-D567 HydrophobicContact CG-CB 3.96Å; M563-R568 HydrophobicContact CG-CB 4.12Å; M563-R568 VanDerWaalsContact SD-CA 3.55Å; M563-R568 HydrophobicContact SD-CB 3.73Å; M563-R568 HydrophobicContact SD-CG 4.05Å; M563-L571 HydrophobicContact CE-CD1 3.48Å; M563-L571 VanDerWaalsContact CE-CD1 3.48Å; M563-L571 HydrophobicContact SD-CD1 3.73Å; M563-L577 HydrophobicContact CE-CD1 4.15Å; M563-L577 HydrophobicContact SD-CD1 4.28Å
564	K	88.9	Confident	91.7	Very high	138 Å²	138	68.7 Å²	68.7	60%	0.6	35%	0.347	S	S	*	.			trans	-66.6	147.7	173.1	-62.2	176.6	-177.6	173.1	0	109.9	D562 E566 D567 R568	D562-K564 PolarHBondContact O-N 3.01Å; K564-E566 PolarHBondContact O-N 2.87Å; K564-D567 HydrophobicContact CB-CB 4.48Å; K564-D567 PolarHBondContact O-N 3.27Å; K564-D567 VanDerWaalsContact O-N 3.12Å; K564-R568 PolarHBondContact O-N 3.03Å
565	E	87.1	Confident	91	Very high	107 Å²	107	73.5 Å²	73.5	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-59.9	-29.8	178.7	-79.1	-64.7	117.8	0	0	113.4	R568 K569	E565-R568 IonicContact OE1-CZ 3.39Å; E565-R568 IonicContact OE1-NE 2.93Å; E565-R568 PolarHBondContact OE1-NE 2.92Å; E565-R568 IonicContact OE1-NH2 2.67Å; E565-R568 IonicContact OE2-CZ 2.68Å; E565-R568 IonicContact OE2-NE 3.39Å; E565-R568 PolarHBondContact OE2-NE 3.41Å; E565-R568 IonicContact OE2-NH2 3.93Å; E565-R568 PolarHBondContact OE2-NH2 3.47Å; E565-K569 WeakPolarHBondContact O-CB 3.38Å; E565-K569 VanDerWaalsContact O-CG 3.31Å; E565-K569 WeakPolarHBondContact O-CG 3.39Å; E565-K569 PolarHBondContact O-N 3.39Å
566	E	91.6	Very high	90.6	Very high	140 Å²	140	73.3 Å²	73.3	65%	0.654	36%	0.355	S	S	*	.	H	α-helix	trans	-68	-47.2	173.8	90.3	-177.6	-163.3	0	0	111.7	K564 R568 K569 Q570	K564-E566 PolarHBondContact O-N 2.87Å; E566-R568 VanDerWaalsContact C-N 3.29Å; E566-R568 PolarHBondContact O-N 2.67Å; E566-K569 PolarHBondContact O-N 2.92Å; E566-Q570 PolarHBondContact O-N 2.97Å
567	D	91.5	Very high	90	Very high	36 Å²	36	72 Å²	72	19%	0.193	35%	0.345	C	S	.	.	H	α-helix	trans	-61.5	-42.3	177.8	-66.6	-40.3	0	0	0	109.8	Y558 M563 K564 K569 Q570 L571	Y558-D567 HydrophobicContact CD1-CB 4.14Å; Y558-D567 HydrophobicContact CE1-CB 4.27Å; M563-D567 HydrophobicContact CG-CB 3.96Å; K564-D567 HydrophobicContact CB-CB 4.48Å; K564-D567 PolarHBondContact O-N 3.27Å; K564-D567 VanDerWaalsContact O-N 3.12Å; D567-K569 PolarHBondContact O-N 2.95Å; D567-Q570 PolarHBondContact O-N 3.37Å; D567-L571 WeakPolarHBondContact O-CB 3.37Å; D567-L571 VanDerWaalsContact O-CG 3.24Å; D567-L571 WeakPolarHBondContact O-CG 3.22Å; D567-L571 PolarHBondContact O-N 2.9Å
568	R	88.1	Confident	89.3	Confident	97 Å²	97	71.4 Å²	71.4	37%	0.366	34%	0.343	S	S	.	.	H	α-helix	trans	-59.8	-47.7	176.7	-169.1	-178.4	70.2	79.6	-0	111.6	M563 K564 E565 E566 V572 L577	M563-R568 HydrophobicContact CG-CB 4.12Å; M563-R568 VanDerWaalsContact SD-CA 3.55Å; M563-R568 HydrophobicContact SD-CB 3.73Å; M563-R568 HydrophobicContact SD-CG 4.05Å; K564-R568 PolarHBondContact O-N 3.03Å; E565-R568 IonicContact OE1-CZ 3.39Å; E565-R568 IonicContact OE1-NE 2.93Å; E565-R568 PolarHBondContact OE1-NE 2.92Å; E565-R568 IonicContact OE1-NH2 2.67Å; E565-R568 IonicContact OE2-CZ 2.68Å; E565-R568 IonicContact OE2-NE 3.39Å; E565-R568 PolarHBondContact OE2-NE 3.41Å; E565-R568 IonicContact OE2-NH2 3.93Å; E565-R568 PolarHBondContact OE2-NH2 3.47Å; E566-R568 VanDerWaalsContact C-N 3.29Å; E566-R568 PolarHBondContact O-N 2.67Å; R568-V572 VanDerWaalsContact O-CG2 3.28Å; R568-V572 WeakPolarHBondContact O-CG2 3.06Å; R568-V572 PolarHBondContact O-N 3.47Å; R568-L577 HydrophobicContact CG-CD2 3.94Å
569	K	88.8	Confident	88.7	Confident	139 Å²	139	74.8 Å²	74.8	60%	0.604	36%	0.358	S	S	*	.	H	α-helix	trans	-62.8	-44.1	177.6	-76.5	177	-178.7	-178	0	111.3	E565 E566 D567 V572 E573	E565-K569 WeakPolarHBondContact O-CB 3.38Å; E565-K569 VanDerWaalsContact O-CG 3.31Å; E565-K569 WeakPolarHBondContact O-CG 3.39Å; E565-K569 PolarHBondContact O-N 3.39Å; E566-K569 PolarHBondContact O-N 2.92Å; D567-K569 PolarHBondContact O-N 2.95Å; K569-V572 WeakPolarHBondContact O-CB 3.28Å; K569-V572 PolarHBondContact O-N 3.11Å; K569-E573 PolarHBondContact O-N 3.32Å
570	Q	90.2	Very high	88.2	Confident	81 Å²	81	77 Å²	77	38%	0.379	37%	0.369	S	S	.	.	H	α-helix	trans	-63.7	-44.3	179.1	-169.8	62.3	71.3	0	0	111.9	E566 D567 V572 E573 D574	E566-Q570 PolarHBondContact O-N 2.97Å; D567-Q570 PolarHBondContact O-N 3.37Å; Q570-V572 VanDerWaalsContact C-N 3.27Å; Q570-V572 PolarHBondContact O-N 3.31Å; Q570-E573 PolarHBondContact NE2-OE2 2.76Å; Q570-E573 VanDerWaalsContact NE2-OE2 3.11Å; Q570-E573 PolarHBondContact O-N 2.92Å; Q570-D574 PolarHBondContact NE2-OD1 3.04Å; Q570-D574 WeakPolarHBondContact O-CB 3.3Å; Q570-D574 PolarHBondContact O-N 3.39Å
571	L	90.6	Very high	87.9	Confident	3 Å²	3	81 Å²	81	2%	0.016	39%	0.39	C	S	.	.	H	α-helix	trans	-65.5	-29.3	177	-70.9	169.8	0	0	0	112.7	Y558 M563 D567 H575 F576 L577 I600	Y558-L571 HydrophobicContact CG-CD1 4.47Å; M563-L571 HydrophobicContact CE-CD1 3.48Å; M563-L571 VanDerWaalsContact CE-CD1 3.48Å; M563-L571 HydrophobicContact SD-CD1 3.73Å; D567-L571 WeakPolarHBondContact O-CB 3.37Å; D567-L571 VanDerWaalsContact O-CG 3.24Å; D567-L571 WeakPolarHBondContact O-CG 3.22Å; D567-L571 PolarHBondContact O-N 2.9Å; L571-H575 PolarHBondContact O-N 3.12Å; L571-F576 HydrophobicContact CD2-CB 3.89Å; L571-F576 HydrophobicContact CD2-CD2 4.09Å; L571-F576 PolarHBondContact O-N 3.07Å; L571-L577 HydrophobicContact CB-CB 4.03Å; L571-L577 PolarHBondContact O-N 2.89Å; L571-I600 HydrophobicContact CD1-CD1 4.3Å; L571-I600 HydrophobicContact CD2-CG2 4.32Å
572	V	84.9	Confident	87.9	Confident	61 Å²	61	80.9 Å²	80.9	37%	0.37	39%	0.387	S	S	.	.	H	α-helix	trans	-69.1	-46.7	170.8	169.4	0	0	0	0	110.7	R568 K569 Q570 D574 H575 L577	R568-V572 VanDerWaalsContact O-CG2 3.28Å; R568-V572 WeakPolarHBondContact O-CG2 3.06Å; R568-V572 PolarHBondContact O-N 3.47Å; K569-V572 WeakPolarHBondContact O-CB 3.28Å; K569-V572 PolarHBondContact O-N 3.11Å; Q570-V572 VanDerWaalsContact C-N 3.27Å; Q570-V572 PolarHBondContact O-N 3.31Å; V572-D574 VanDerWaalsContact C-N 3.33Å; V572-D574 PolarHBondContact O-N 3.2Å; V572-H575 PolarHBondContact O-N 2.68Å; V572-L577 HydrophobicContact CG2-CB 4.07Å; V572-L577 HydrophobicContact CG2-CD2 3.51Å; V572-L577 HydrophobicContact CG2-CG 4.42Å
573	E	85	Confident	88.3	Confident	134 Å²	134	77.1 Å²	77.1	63%	0.626	37%	0.37	S	S	*	.	H	α-helix	trans	-62.3	-40.4	178.5	-173	179.4	-161.3	0	0	112	K569 Q570 H575	K569-E573 PolarHBondContact O-N 3.32Å; Q570-E573 PolarHBondContact NE2-OE2 2.76Å; Q570-E573 VanDerWaalsContact NE2-OE2 3.11Å; Q570-E573 PolarHBondContact O-N 2.92Å; E573-H575 PolarHBondContact O-CE1 2.83Å; E573-H575 PolarHBondContact O-N 3.01Å; E573-H575 PolarHBondContact O-ND1 3.19Å
574	D	87.4	Confident	88.7	Confident	38 Å²	38	77 Å²	77	20%	0.203	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.3	175.4	-65	-33.5	0	0	0	113.2	Q570 V572 F576 K606	Q570-D574 PolarHBondContact NE2-OD1 3.04Å; Q570-D574 WeakPolarHBondContact O-CB 3.3Å; Q570-D574 PolarHBondContact O-N 3.39Å; V572-D574 VanDerWaalsContact C-N 3.33Å; V572-D574 PolarHBondContact O-N 3.2Å; D574-F576 HydrophobicContact CB-CB 4.41Å; D574-F576 HydrophobicContact CB-CD1 4.12Å; D574-F576 HydrophobicContact CB-CD2 3.6Å; D574-F576 HydrophobicContact CB-CE1 4.25Å; D574-F576 HydrophobicContact CB-CE2 3.76Å; D574-F576 HydrophobicContact CB-CG 3.78Å; D574-F576 HydrophobicContact CB-CZ 4.07Å; D574-F576 WeakPolarHBondContact O-CD1 3.38Å; D574-F576 VanDerWaalsContact O-CE1 3.29Å; D574-F576 WeakPolarHBondContact O-CE1 3.45Å; D574-F576 PolarHBondContact O-N 2.95Å; D574-K606 IonicContact OD1-NZ 3.45Å; D574-K606 PolarHBondContact OD1-NZ 3.07Å; D574-K606 VanDerWaalsContact OD2-CE 3.28Å; D574-K606 WeakPolarHBondContact OD2-CE 3.5Å; D574-K606 IonicContact OD2-NZ 3.95Å; D574-K606 PolarHBondContact OD2-NZ 3.49Å
575	H	84.1	Confident	89.1	Confident	135 Å²	135	70.5 Å²	70.5	63%	0.625	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	29.4	-172.8	-58	67.3	0	0	0	113.5	L571 V572 E573	L571-H575 PolarHBondContact O-N 3.12Å; V572-H575 PolarHBondContact O-N 2.68Å; E573-H575 PolarHBondContact O-CE1 2.83Å; E573-H575 PolarHBondContact O-N 3.01Å; E573-H575 PolarHBondContact O-ND1 3.19Å
576	F	88	Confident	89.6	Confident	23 Å²	23	67.9 Å²	67.9	10%	0.101	33%	0.328	C	S	.	.			trans	-95.2	-25.3	179	-64.9	-12.5	0	0	0	113.2	L571 D574 F578 I600 K606 L609 W611 M623	L571-F576 HydrophobicContact CD2-CB 3.89Å; L571-F576 HydrophobicContact CD2-CD2 4.09Å; L571-F576 PolarHBondContact O-N 3.07Å; D574-F576 HydrophobicContact CB-CB 4.41Å; D574-F576 HydrophobicContact CB-CD1 4.12Å; D574-F576 HydrophobicContact CB-CD2 3.6Å; D574-F576 HydrophobicContact CB-CE1 4.25Å; D574-F576 HydrophobicContact CB-CE2 3.76Å; D574-F576 HydrophobicContact CB-CG 3.78Å; D574-F576 HydrophobicContact CB-CZ 4.07Å; D574-F576 WeakPolarHBondContact O-CD1 3.38Å; D574-F576 VanDerWaalsContact O-CE1 3.29Å; D574-F576 WeakPolarHBondContact O-CE1 3.45Å; D574-F576 PolarHBondContact O-N 2.95Å; F576-F578 PolarHBondContact O-N 3.24Å; F576-I600 VanDerWaalsContact O-CD1 3.29Å; F576-I600 WeakPolarHBondContact O-CD1 3.46Å; F576-K606 HydrophobicContact CE2-CB 3.68Å; F576-K606 HydrophobicContact CE2-CD 3.81Å; F576-K606 HydrophobicContact CE2-CG 3.82Å; F576-K606 HydrophobicContact CZ-CB 3.82Å; F576-K606 HydrophobicContact CZ-CD 4.36Å; F576-K606 HydrophobicContact CZ-CG 4.42Å; F576-L609 HydrophobicContact CB-CD2 4.25Å; F576-L609 HydrophobicContact CD1-CD2 3.57Å; F576-L609 HydrophobicContact CD2-CD2 3.48Å; F576-L609 VanDerWaalsContact CD2-CD2 3.48Å; F576-L609 HydrophobicContact CE1-CD2 3.67Å; F576-L609 HydrophobicContact CE2-CD2 3.57Å; F576-L609 HydrophobicContact CG-CD2 3.49Å; F576-L609 VanDerWaalsContact CG-CD2 3.49Å; F576-L609 HydrophobicContact CZ-CD2 3.68Å; F576-W611 VanDerWaalsContact O-CE2 3.28Å; F576-W611 VanDerWaalsContact O-CZ2 3.29Å; F576-W611 WeakPolarHBondContact O-CZ2 3.39Å; F576-W611 PolarHBondContact O-NE1 2.84Å; F576-M623 HydrophobicContact CE1-SD 4.49Å
577	L	84.1	Confident	90	Very high	34 Å²	34	61.3 Å²	61.3	18%	0.178	30%	0.297	C	S	.	.			trans	-72.4	119	-179.7	-168.9	66.6	0	0	0	111.3	L560 M563 R568 L571 V572 I600	L560-L577 HydrophobicContact CD1-CD1 4.34Å; L560-L577 HydrophobicContact CG-CD1 4.4Å; M563-L577 HydrophobicContact CE-CD1 4.15Å; M563-L577 HydrophobicContact SD-CD1 4.28Å; R568-L577 HydrophobicContact CG-CD2 3.94Å; L571-L577 HydrophobicContact CB-CB 4.03Å; L571-L577 PolarHBondContact O-N 2.89Å; V572-L577 HydrophobicContact CG2-CB 4.07Å; V572-L577 HydrophobicContact CG2-CD2 3.51Å; V572-L577 HydrophobicContact CG2-CG 4.42Å; L577-I600 HydrophobicContact CB-CD1 4.43Å; L577-I600 HydrophobicContact CD1-CD1 3.69Å
578	F	84.6	Confident	90.3	Very high	10 Å²	10	59.8 Å²	59.8	4%	0.044	29%	0.29	C	S	.	.			trans	-83.3	145.4	166.6	63.8	-92.4	0	0	0	110.7	L560 F576 W594 R598 I600 W611 E614	L560-F578 HydrophobicContact CD1-CZ 4.38Å; L560-F578 HydrophobicContact CD2-CE2 4.12Å; L560-F578 HydrophobicContact CD2-CZ 4.21Å; F576-F578 PolarHBondContact O-N 3.24Å; F578-W594 AromaticContact CD2-CH2 3.82Å; F578-W594 HydrophobicContact CD2-CH2 3.82Å; F578-W594 HydrophobicContact CD2-CZ3 4.38Å; F578-W594 AromaticContact CE2-CH2 3.63Å; F578-W594 HydrophobicContact CE2-CH2 3.63Å; F578-W594 AromaticContact CE2-CZ3 3.95Å; F578-W594 HydrophobicContact CE2-CZ3 3.95Å; F578-R598 HydrophobicContact CE2-CB 4.1Å; F578-R598 HydrophobicContact CE2-CG 3.91Å; F578-R598 HydrophobicContact CZ-CB 3.84Å; F578-R598 HydrophobicContact CZ-CG 3.98Å; F578-I600 HydrophobicContact CD1-CD1 4.17Å; F578-I600 HydrophobicContact CD1-CG1 4.09Å; F578-I600 HydrophobicContact CE1-CD1 4.31Å; F578-I600 HydrophobicContact CE1-CG1 3.81Å; F578-W611 HydrophobicContact CB-CD2 4.39Å; F578-W611 HydrophobicContact CB-CE3 4.18Å; F578-W611 HydrophobicContact CB-CH2 4.12Å; F578-W611 HydrophobicContact CB-CZ2 4.31Å; F578-W611 HydrophobicContact CB-CZ3 4.03Å; F578-W611 HydrophobicContact CD1-CB 4.14Å; F578-W611 AromaticContact CD1-CD1 3.93Å; F578-W611 AromaticContact CD1-CD2 3.72Å; F578-W611 HydrophobicContact CD1-CD2 3.72Å; F578-W611 HydrophobicContact CD1-CE3 4.15Å; F578-W611 AromaticContact CD1-CG 3.71Å; F578-W611 HydrophobicContact CD1-CG 3.71Å; F578-W611 HydrophobicContact CE1-CB 4Å; F578-W611 HydrophobicContact CE1-CD2 4.46Å; F578-W611 AromaticContact CE1-CG 4Å; F578-W611 HydrophobicContact CE1-CG 4Å; F578-W611 HydrophobicContact CG-CD2 4.42Å; F578-W611 HydrophobicContact CG-CE3 4.44Å; F578-E614 HydrophobicContact CB-CG 4.5Å; F578-E614 HydrophobicContact CD2-CB 4.15Å; F578-E614 HydrophobicContact CD2-CG 3.87Å; F578-E614 HydrophobicContact CE2-CB 4.08Å; F578-E614 HydrophobicContact CE2-CG 4.26Å; F578-E614 HydrophobicContact CG-CB 4.47Å; F578-E614 HydrophobicContact CG-CG 4.19Å; F578-E614 HydrophobicContact CZ-CB 4.33Å
579	K	83.7	Confident	90.8	Very high	113 Å²	113	55.1 Å²	55.1	49%	0.491	27%	0.272	S	S	.	.			trans	-112	170.9	-176.2	-63.8	175.8	-173.9	173.6	0	110.9	D581 Y591	K579-D581 HydrophobicContact CB-CB 4.43Å; K579-D581 WeakPolarHBondContact CB-OD1 3.36Å; K579-D581 WeakPolarHBondContact CD-OD2 3.2Å; K579-Y591 PolarHBondContact O-OH 2.91Å; K579-Y591 VanDerWaalsContact O-OH 3.08Å
580	N	86.8	Confident	91.2	Very high	82 Å²	82	48.5 Å²	48.5	44%	0.439	24%	0.243	S	C	.	.	S	Bend	trans	-99.1	37.2	176	62.7	-21.2	0	0	0	113	Y591 W594	N580-Y591 VanDerWaalsContact CA-CE2 3.48Å; N580-Y591 VanDerWaalsContact CA-CZ 3.43Å; N580-Y591 HydrophobicContact CB-CD1 3.87Å; N580-Y591 HydrophobicContact CB-CD2 3.86Å; N580-Y591 HydrophobicContact CB-CE1 4.16Å; N580-Y591 HydrophobicContact CB-CE2 4.16Å; N580-Y591 HydrophobicContact CB-CG 3.72Å; N580-Y591 WeakPolarHBondContact O-CD2 3.45Å; N580-Y591 WeakPolarHBondContact O-CE2 3.38Å; N580-W594 HydrophobicContact CB-CD2 3.82Å; N580-W594 HydrophobicContact CB-CE3 4.07Å; N580-W594 HydrophobicContact CB-CG 4.34Å; N580-W594 HydrophobicContact CB-CH2 4.2Å; N580-W594 HydrophobicContact CB-CZ2 3.96Å; N580-W594 HydrophobicContact CB-CZ3 4.24Å
581	D	89.8	Confident	91.6	Very high	111 Å²	111	45.9 Å²	45.9	59%	0.594	23%	0.23	S	C	*	.			trans	-111.3	-6.4	-168.5	60.1	-8.6	0	0	0	115.1	K579 P583	K579-D581 HydrophobicContact CB-CB 4.43Å; K579-D581 WeakPolarHBondContact CB-OD1 3.36Å; K579-D581 WeakPolarHBondContact CD-OD2 3.2Å; D581-P583 VanDerWaalsContact O-CD 3.24Å; D581-P583 WeakPolarHBondContact O-CD 3.31Å
582	D	92.4	Very high	92	Very high	57 Å²	57	47 Å²	47	31%	0.305	23%	0.234	S	C	.	.			trans	-76.4	112.2	172	174	21.9	0	0	0	111	V584 L585 R586 Y591	D582-V584 PolarHBondContact O-N 3Å; D582-V584 WeakPolarHBondContact OD1-CB 3.43Å; D582-V584 PolarHBondContact OD1-N 2.96Å; D582-L585 HydrophobicContact CB-CB 4.26Å; D582-L585 PolarHBondContact O-N 3.02Å; D582-L585 WeakPolarHBondContact OD2-CB 3.28Å; D582-L585 PolarHBondContact OD2-N 3.36Å; D582-L585 VanDerWaalsContact OD2-N 3.11Å; D582-R586 WeakPolarHBondContact O-CB 3.24Å; D582-R586 PolarHBondContact O-N 2.7Å; D582-Y591 PolarHBondContact N-OH 3.37Å; D582-Y591 WeakPolarHBondContact O-CE2 3.32Å
583	P	96.5	Very high	92.6	Very high	53 Å²	53	47.3 Å²	47.3	34%	0.344	23%	0.234	S	C	.	.	H	α-helix	trans	-63.8	-25.7	179.2	28.6	-36.3	0	0	0	112.9	N449 D581 D587	N449-P583 PolarHBondContact ND2-O 3.38Å; D581-P583 VanDerWaalsContact O-CD 3.24Å; D581-P583 WeakPolarHBondContact O-CD 3.31Å; P583-D587 VanDerWaalsContact O-CB 3.31Å; P583-D587 WeakPolarHBondContact O-CB 3.43Å; P583-D587 PolarHBondContact O-N 2.93Å
584	V	97.9	Very high	93.1	Very high	24 Å²	24	44.6 Å²	44.6	15%	0.145	22%	0.218	C	C	.	.	H	α-helix	trans	-69.2	-50.6	178.6	-178.6	0	0	0	0	110.3	N445 N449 S452 D582 D587 A588	N445-V584 HydrophobicContact CB-CG1 4.06Å; N445-V584 WeakPolarHBondContact CB-O 3.49Å; N449-V584 HydrophobicContact CB-CG2 3.98Å; S452-V584 WeakPolarHBondContact OG-CG1 3.48Å; D582-V584 PolarHBondContact O-N 3Å; D582-V584 WeakPolarHBondContact OD1-CB 3.43Å; D582-V584 PolarHBondContact OD1-N 2.96Å; V584-D587 PolarHBondContact O-N 2.79Å; V584-A588 PolarHBondContact O-N 3.47Å; V584-A588 VanDerWaalsContact O-N 3.16Å
585	L	97.9	Very high	93.5	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-68.1	-36.9	176.5	-176.7	56.9	0	0	0	112.1	D582 D587 A588 G589 G590 Y591 E614 E615	D582-L585 HydrophobicContact CB-CB 4.26Å; D582-L585 PolarHBondContact O-N 3.02Å; D582-L585 WeakPolarHBondContact OD2-CB 3.28Å; D582-L585 PolarHBondContact OD2-N 3.36Å; D582-L585 VanDerWaalsContact OD2-N 3.11Å; L585-D587 PolarHBondContact O-N 3.46Å; L585-A588 PolarHBondContact O-N 2.92Å; L585-G589 PolarHBondContact O-N 3.3Å; L585-G590 PolarHBondContact O-N 2.85Å; L585-Y591 HydrophobicContact CB-CE2 4.39Å; L585-Y591 HydrophobicContact CD2-CE1 3.68Å; L585-Y591 HydrophobicContact CG-CE1 4.06Å; L585-E614 HydrophobicContact CD2-CG 4.04Å; L585-E615 HydrophobicContact CD1-CB 4.02Å; L585-E615 HydrophobicContact CD1-CG 4.11Å; L585-E615 HydrophobicContact CD2-CB 4.22Å
586	R	98.3	Very high	94.2	Very high	51 Å²	51	39.3 Å²	39.3	19%	0.192	20%	0.197	C	C	.	.	H	α-helix	trans	-55.1	-52.8	172.4	-175.5	-166.4	64.9	-167.6	-0.4	110.9	P321 E325 D582 A588 G589 Y591	P321-R586 HydrophobicContact CB-CG 3.8Å; P321-R586 WeakPolarHBondContact CB-O 3.3Å; P321-R586 VanDerWaalsContact CG-O 3.29Å; P321-R586 WeakPolarHBondContact CG-O 3.41Å; E325-R586 IonicContact OE1-CZ 3.46Å; E325-R586 IonicContact OE1-NH1 3.72Å; E325-R586 PolarHBondContact OE1-NH1 3.3Å; E325-R586 IonicContact OE2-NH1 2.74Å; D582-R586 WeakPolarHBondContact O-CB 3.24Å; D582-R586 PolarHBondContact O-N 2.7Å; R586-A588 PolarHBondContact O-N 3.5Å; R586-G589 WeakPolarHBondContact O-CA 3.41Å; R586-G589 PolarHBondContact O-N 3.04Å; R586-Y591 HydrophobicContact CB-CD2 3.57Å; R586-Y591 HydrophobicContact CB-CE2 3.91Å; R586-Y591 HydrophobicContact CG-CD2 4.07Å
587	D	98.6	Very high	94.7	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.011	19%	0.192	C	C	.	.	H	α-helix	trans	-74.7	-15.6	-173.6	-65	-9.5	0	0	0	112.7	N322 R444 Y448 N449 P583 V584 L585 G589	N322-D587 WeakPolarHBondContact CB-OD1 3.29Å; N322-D587 PolarHBondContact ND2-OD1 3.19Å; N322-D587 PolarHBondContact ND2-OD2 3.32Å; R444-D587 WeakPolarHBondContact CD-O 3.31Å; R444-D587 WeakPolarHBondContact CG-O 3.35Å; R444-D587 PolarHBondContact NH1-O 2.88Å; Y448-D587 VanDerWaalsContact CB-OD2 3.29Å; Y448-D587 WeakPolarHBondContact CB-OD2 3.31Å; N449-D587 PolarHBondContact ND2-OD2 3.48Å; P583-D587 VanDerWaalsContact O-CB 3.31Å; P583-D587 WeakPolarHBondContact O-CB 3.43Å; P583-D587 PolarHBondContact O-N 2.93Å; V584-D587 PolarHBondContact O-N 2.79Å; L585-D587 PolarHBondContact O-N 3.46Å; D587-G589 VanDerWaalsContact C-N 3.29Å
588	A	98.7	Very high	95.4	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.033	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.6	164.9	0	0	0	0	0	113.8	N445 R456 T528 V584 L585 R586	N445-A588 HydrophobicContact CB-CB 3.98Å; R456-A588 HydrophobicContact CB-CB 3.81Å; R456-A588 HydrophobicContact CG-CB 3.88Å; T528-A588 VanDerWaalsContact CA-O 3.31Å; T528-A588 WeakPolarHBondContact CA-O 3.42Å; T528-A588 WeakPolarHBondContact CB-O 3.44Å; T528-A588 HydrophobicContact CG2-CB 3.97Å; T528-A588 WeakPolarHBondContact CG2-O 3.31Å; V584-A588 PolarHBondContact O-N 3.47Å; V584-A588 VanDerWaalsContact O-N 3.16Å; L585-A588 PolarHBondContact O-N 2.92Å; R586-A588 PolarHBondContact O-N 3.5Å
589	G	98.5	Very high	96	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	3.1	-177.7	0	0	0	0	0	115.6	M394 T528 L585 R586 D587 Y591 R592	M394-G589 WeakPolarHBondContact SD-CA 3.17Å; T528-G589 CarbonylContact O-C 3.59Å; T528-G589 VanDerWaalsContact O-C 3.27Å; T528-G589 VanDerWaalsContact O-CA 3.29Å; T528-G589 WeakPolarHBondContact O-CA 3.46Å; L585-G589 PolarHBondContact O-N 3.3Å; R586-G589 WeakPolarHBondContact O-CA 3.41Å; R586-G589 PolarHBondContact O-N 3.04Å; D587-G589 VanDerWaalsContact C-N 3.29Å; G589-Y591 PolarHBondContact O-N 2.74Å; G589-Y591 VanDerWaalsContact O-N 3.08Å; G589-R592 WeakPolarHBondContact O-CG 3.33Å; G589-R592 PolarHBondContact O-N 2.73Å; G589-R592 PolarHBondContact O-NE 2.67Å
590	G	97.9	Very high	96.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.7	-173.4	0	0	0	0	0	115.6	P527 L585 R598	P527-G590 WeakPolarHBondContact O-CA 3.31Å; L585-G590 PolarHBondContact O-N 2.85Å; G590-R598 PolarHBondContact O-NH2 3.27Å
591	Y	98.3	Very high	97.2	Very high	26 Å²	26	26.9 Å²	26.9	10%	0.102	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	14.3	179.9	-54.2	-39.1	0	0	0	114.4	K579 N580 D582 L585 R586 G589 W594	K579-Y591 PolarHBondContact O-OH 2.91Å; K579-Y591 VanDerWaalsContact O-OH 3.08Å; N580-Y591 VanDerWaalsContact CA-CE2 3.48Å; N580-Y591 VanDerWaalsContact CA-CZ 3.43Å; N580-Y591 HydrophobicContact CB-CD1 3.87Å; N580-Y591 HydrophobicContact CB-CD2 3.86Å; N580-Y591 HydrophobicContact CB-CE1 4.16Å; N580-Y591 HydrophobicContact CB-CE2 4.16Å; N580-Y591 HydrophobicContact CB-CG 3.72Å; N580-Y591 WeakPolarHBondContact O-CD2 3.45Å; N580-Y591 WeakPolarHBondContact O-CE2 3.38Å; D582-Y591 PolarHBondContact N-OH 3.37Å; D582-Y591 WeakPolarHBondContact O-CE2 3.32Å; L585-Y591 HydrophobicContact CB-CE2 4.39Å; L585-Y591 HydrophobicContact CD2-CE1 3.68Å; L585-Y591 HydrophobicContact CG-CE1 4.06Å; R586-Y591 HydrophobicContact CB-CD2 3.57Å; R586-Y591 HydrophobicContact CB-CE2 3.91Å; R586-Y591 HydrophobicContact CG-CD2 4.07Å; G589-Y591 PolarHBondContact O-N 2.74Å; G589-Y591 VanDerWaalsContact O-N 3.08Å; Y591-W594 AromaticContact CD1-CE3 3.99Å; Y591-W594 HydrophobicContact CD1-CE3 3.99Å; Y591-W594 AromaticContact CD1-CZ3 3.9Å; Y591-W594 HydrophobicContact CD1-CZ3 3.9Å; Y591-W594 HydrophobicContact CE1-CZ3 4.31Å; Y591-W594 WeakPolarHBondContact O-CB 3.48Å
592	R	98.1	Very high	97.6	Very high	26 Å²	26	22.3 Å²	22.3	10%	0.098	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	147.4	170.3	-67.2	-178.6	-53.6	103	11.3	110.9	P321 G392 T528 I529 M530 G589 W594 R598	P321-R592 HydrophobicContact CG-CG 4.23Å; G392-R592 PolarHBondContact O-NH1 3.26Å; T528-R592 PolarHBondContact O-NE 3.31Å; T528-R592 PolarHBondContact O-NH2 3.45Å; I529-R592 PolarHBondContact O-NH2 3.39Å; M530-R592 PolarHBondContact O-NH1 2.68Å; M530-R592 PolarHBondContact O-NH2 3.47Å; G589-R592 WeakPolarHBondContact O-CG 3.33Å; G589-R592 PolarHBondContact O-N 2.73Å; G589-R592 PolarHBondContact O-NE 2.67Å; R592-W594 PolarHBondContact O-N 3.29Å; R592-R598 PolarHBondContact O-NH1 3.48Å; R592-R598 PolarHBondContact O-NH2 3.38Å; R592-R598 VanDerWaalsContact O-NH2 3.1Å
593	D	97.1	Very high	97.9	Very high	67 Å²	67	19.7 Å²	19.7	36%	0.358	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	31.9	-178.6	-51.7	-76.3	0	0	0	113.3	K532 V596	K532-D593 HydrophobicContact CB-CB 4.17Å; K532-D593 HydrophobicContact CD-CB 4.43Å; K532-D593 HydrophobicContact CG-CB 4.16Å; D593-V596 VanDerWaalsContact O-CB 3.26Å; D593-V596 WeakPolarHBondContact O-CB 3.05Å; D593-V596 WeakPolarHBondContact O-CG2 3.37Å; D593-V596 PolarHBondContact O-N 3.26Å
594	W	96.7	Very high	97.8	Very high	77 Å²	77	23.6 Å²	23.6	29%	0.292	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	136.5	-175.3	-175.1	-96.6	0	0	0	112.5	L560 F578 N580 Y591 R592 R598	L560-W594 HydrophobicContact CD2-CH2 3.69Å; L560-W594 HydrophobicContact CD2-CZ2 3.61Å; F578-W594 AromaticContact CD2-CH2 3.82Å; F578-W594 HydrophobicContact CD2-CH2 3.82Å; F578-W594 HydrophobicContact CD2-CZ3 4.38Å; F578-W594 AromaticContact CE2-CH2 3.63Å; F578-W594 HydrophobicContact CE2-CH2 3.63Å; F578-W594 AromaticContact CE2-CZ3 3.95Å; F578-W594 HydrophobicContact CE2-CZ3 3.95Å; N580-W594 HydrophobicContact CB-CD2 3.82Å; N580-W594 HydrophobicContact CB-CE3 4.07Å; N580-W594 HydrophobicContact CB-CG 4.34Å; N580-W594 HydrophobicContact CB-CH2 4.2Å; N580-W594 HydrophobicContact CB-CZ2 3.96Å; N580-W594 HydrophobicContact CB-CZ3 4.24Å; Y591-W594 AromaticContact CD1-CE3 3.99Å; Y591-W594 HydrophobicContact CD1-CE3 3.99Å; Y591-W594 AromaticContact CD1-CZ3 3.9Å; Y591-W594 HydrophobicContact CD1-CZ3 3.9Å; Y591-W594 HydrophobicContact CE1-CZ3 4.31Å; Y591-W594 WeakPolarHBondContact O-CB 3.48Å; R592-W594 PolarHBondContact O-N 3.29Å; W594-R598 HydrophobicContact CZ3-CG 4Å
595	P	96.3	Very high	97.8	Very high	35 Å²	35	26.7 Å²	26.7	23%	0.227	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	cis	-100.6	25.2	-1.1	39	-34.8	0	0	0	114.2	L560 T561 G597 R598	L560-P595 HydrophobicContact CB-CB 3.73Å; L560-P595 HydrophobicContact CB-CG 4.26Å; L560-P595 HydrophobicContact CD2-CB 4.32Å; T561-P595 HydrophobicContact CG2-CG 4.07Å; P595-G597 PolarHBondContact O-N 3.45Å; P595-R598 WeakPolarHBondContact O-CB 3.35Å; P595-R598 PolarHBondContact O-N 3.37Å
596	V	98.1	Very high	97.7	Very high	28 Å²	28	30 Å²	30	17%	0.17	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	131.1	-170.1	178.9	0	0	0	0	112.3	K532 R535 I536 T561 D593 R598	K532-V596 HydrophobicContact CG-CB 4.48Å; K532-V596 HydrophobicContact CG-CG1 3.97Å; R535-V596 WeakPolarHBondContact CD-O 3.44Å; I536-V596 HydrophobicContact CD1-CG1 4.06Å; I536-V596 HydrophobicContact CG1-CG1 3.61Å; T561-V596 HydrophobicContact CG2-CG2 4.41Å; D593-V596 VanDerWaalsContact O-CB 3.26Å; D593-V596 WeakPolarHBondContact O-CB 3.05Å; D593-V596 WeakPolarHBondContact O-CG2 3.37Å; D593-V596 PolarHBondContact O-N 3.26Å; V596-R598 VanDerWaalsContact C-N 3.29Å; V596-R598 VanDerWaalsContact O-CD 3.24Å; V596-R598 WeakPolarHBondContact O-CD 3.3Å; V596-R598 PolarHBondContact O-N 3.45Å; V596-R598 PolarHBondContact O-NH1 3.42Å
597	G	97.8	Very high	97.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	6.8	179.2	0	0	0	0	0	115.4	E539 P595 C613	E539-G597 WeakPolarHBondContact OE2-CA 3.45Å; P595-G597 PolarHBondContact O-N 3.45Å; G597-C613 WeakPolarHBondContact O-CB 3.14Å
598	R	98.4	Very high	97.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.			trans	-101.8	140.7	178.7	-80.4	58.4	166.6	-129.3	-10.9	109.3	R535 L560 F578 G590 R592 W594 P595 V596 V612 C613	R535-R598 VanDerWaalsContact NH1-CZ 3.25Å; L560-R598 HydrophobicContact CB-CB 4.41Å; L560-R598 WeakPolarHBondContact CB-O 3.4Å; L560-R598 HydrophobicContact CD2-CB 4.1Å; L560-R598 PolarHBondContact N-O 3.15Å; F578-R598 HydrophobicContact CE2-CB 4.1Å; F578-R598 HydrophobicContact CE2-CG 3.91Å; F578-R598 HydrophobicContact CZ-CB 3.84Å; F578-R598 HydrophobicContact CZ-CG 3.98Å; G590-R598 PolarHBondContact O-NH2 3.27Å; R592-R598 PolarHBondContact O-NH1 3.48Å; R592-R598 PolarHBondContact O-NH2 3.38Å; R592-R598 VanDerWaalsContact O-NH2 3.1Å; W594-R598 HydrophobicContact CZ3-CG 4Å; P595-R598 WeakPolarHBondContact O-CB 3.35Å; P595-R598 PolarHBondContact O-N 3.37Å; V596-R598 VanDerWaalsContact C-N 3.29Å; V596-R598 VanDerWaalsContact O-CD 3.24Å; V596-R598 WeakPolarHBondContact O-CD 3.3Å; V596-R598 PolarHBondContact O-N 3.45Å; V596-R598 PolarHBondContact O-NH1 3.42Å; R598-V612 WeakPolarHBondContact CA-O 3.41Å; R598-C613 WeakPolarHBondContact CD-O 3.42Å; R598-C613 HydrophobicContact CG-CB 4.4Å; R598-C613 VanDerWaalsContact CG-O 3.3Å; R598-C613 WeakPolarHBondContact CG-O 3.47Å; R598-C613 PolarHBondContact NE-O 3.48Å
599	G	97.7	Very high	97.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	169	177.9	0	0	0	0	0	113.2	Y557 Y558 V612	Y557-G599 WeakPolarHBondContact OH-CA 3.48Å; Y558-G599 VanDerWaalsContact O-CA 3.24Å; Y558-G599 WeakPolarHBondContact O-CA 3.28Å; G599-V612 PolarHBondContact N-O 3.21Å; G599-V612 PolarHBondContact O-N 2.96Å
600	I	97.7	Very high	97.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.6	177.5	-62.7	170.8	0	0	0	107.7	Y558 L560 L571 F576 L577 F578	Y558-I600 WeakPolarHBondContact CD2-O 3.49Å; Y558-I600 PolarHBondContact N-O 3.45Å; Y558-I600 PolarHBondContact O-N 3.23Å; L560-I600 HydrophobicContact CD1-CD1 4.47Å; L560-I600 HydrophobicContact CD1-CG1 4.29Å; L571-I600 HydrophobicContact CD1-CD1 4.3Å; L571-I600 HydrophobicContact CD2-CG2 4.32Å; F576-I600 VanDerWaalsContact O-CD1 3.29Å; F576-I600 WeakPolarHBondContact O-CD1 3.46Å; L577-I600 HydrophobicContact CB-CD1 4.43Å; L577-I600 HydrophobicContact CD1-CD1 3.69Å; F578-I600 HydrophobicContact CD1-CD1 4.17Å; F578-I600 HydrophobicContact CD1-CG1 4.09Å; F578-I600 HydrophobicContact CE1-CD1 4.31Å; F578-I600 HydrophobicContact CE1-CG1 3.81Å
601	F	98.4	Very high	97.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	141.8	164.6	176.8	-94.3	0	0	0	109.2	L546 L549 H553 T556 Y557 F608 L609 V610	L546-F601 HydrophobicContact CB-CB 4.46Å; L546-F601 HydrophobicContact CB-CD2 3.77Å; L546-F601 HydrophobicContact CB-CE2 4.08Å; L546-F601 HydrophobicContact CB-CG 4.05Å; L546-F601 HydrophobicContact CD1-CB 3.74Å; L546-F601 HydrophobicContact CD1-CG 4.17Å; L546-F601 HydrophobicContact CD2-CD1 4.25Å; L546-F601 HydrophobicContact CD2-CG 4.33Å; L546-F601 HydrophobicContact CG-CB 4.48Å; L546-F601 HydrophobicContact CG-CG 4.41Å; L546-F601 VanDerWaalsContact O-CE2 3.31Å; L546-F601 WeakPolarHBondContact O-CE2 3.39Å; L549-F601 HydrophobicContact CB-CZ 4.38Å; L549-F601 HydrophobicContact CD1-CE1 3.74Å; L549-F601 HydrophobicContact CD1-CZ 3.86Å; H553-F601 WeakPolarHBondContact O-CE1 3.39Å; H553-F601 VanDerWaalsContact O-CZ 3.28Å; H553-F601 WeakPolarHBondContact O-CZ 3.41Å; T556-F601 WeakPolarHBondContact O-CA 3.23Å; T556-F601 WeakPolarHBondContact O-CD2 3.38Å; Y557-F601 HydrophobicContact CD2-CB 4.07Å; F601-F608 HydrophobicContact CD1-CD1 4.42Å; F601-F608 HydrophobicContact CD1-CE1 4.44Å; F601-F608 HydrophobicContact CE1-CD1 4.05Å; F601-F608 HydrophobicContact CE1-CE1 4.18Å; F601-L609 CarbonylContact O-C 3.54Å; F601-L609 WeakPolarHBondContact O-CA 3.39Å; F601-V610 HydrophobicContact CB-CB 4.19Å; F601-V610 HydrophobicContact CD1-CG2 4.33Å; F601-V610 PolarHBondContact N-O 3.4Å; F601-V610 PolarHBondContact O-N 2.91Å
602	H	98.1	Very high	97.8	Very high	15 Å²	15	29.3 Å²	29.3	7%	0.069	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.5	161.5	63.1	76.8	0	0	0	111.6	G555 T556 Y558 F608 L609	G555-H602 WeakPolarHBondContact CA-O 3.39Å; T556-H602 PolarHBondContact N-O 3.06Å; T556-H602 PolarHBondContact O-N 3.1Å; Y558-H602 AromaticContact CE2-CD2 3.81Å; Y558-H602 AromaticContact CE2-CE1 3.81Å; Y558-H602 AromaticContact CE2-NE2 3.28Å; Y558-H602 VanDerWaalsContact CE2-NE2 3.28Å; Y558-H602 WeakPolarHBondContact CE2-NE2 3.38Å; Y558-H602 AromaticContact CZ-NE2 3.9Å; H602-F608 CarbonylContact C-O 3.5Å; H602-F608 VanDerWaalsContact CA-O 3.22Å; H602-F608 WeakPolarHBondContact CA-O 3.34Å; H602-L609 HydrophobicContact CB-CB 4.3Å; H602-L609 HydrophobicContact CB-CD2 4.07Å; H602-L609 HydrophobicContact CB-CG 3.78Å
603	N	98.2	Very high	97.8	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.011	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	167.6	170.1	72.4	-11.5	0	0	0	111.5	E552 A554 S605 K606 T607 F608	E552-N603 WeakPolarHBondContact O-CB 3.31Å; E552-N603 PolarHBondContact O-ND2 3.4Å; A554-N603 VanDerWaalsContact O-CA 3.29Å; A554-N603 WeakPolarHBondContact O-CA 3.45Å; A554-N603 VanDerWaalsContact O-CB 3.28Å; A554-N603 WeakPolarHBondContact O-CB 3.36Å; N603-S605 PolarHBondContact O-N 3.22Å; N603-K606 PolarHBondContact O-N 3.4Å; N603-K606 WeakPolarHBondContact OD1-CA 3.28Å; N603-K606 PolarHBondContact OD1-N 2.86Å; N603-T607 PolarHBondContact ND2-OG1 3.35Å; N603-T607 PolarHBondContact OD1-N 3.01Å; N603-F608 HydrophobicContact CB-CB 4.47Å; N603-F608 PolarHBondContact N-O 2.9Å; N603-F608 PolarHBondContact OD1-N 2.84Å; N603-F608 VanDerWaalsContact OD1-N 3.07Å; N603-F608 PolarHBondContact OD1-O 3.45Å
604	N	95.8	Very high	97.8	Very high	135 Å²	135	26.2 Å²	26.2	72%	0.722	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-34.7	-177.7	-66.3	-19.6	0	0	0	113	K606	N604-K606 VanDerWaalsContact C-N 3.28Å; N604-K606 PolarHBondContact O-N 3.32Å
605	S	97	Very high	97.8	Very high	90 Å²	90	23.4 Å²	23.4	63%	0.629	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.5	-179.7	-55.7	0	0	0	0	114	N603 T607	N603-S605 PolarHBondContact O-N 3.22Å; S605-T607 WeakPolarHBondContact O-CG2 3.48Å; S605-T607 PolarHBondContact O-N 2.86Å
606	K	96.7	Very high	97.9	Very high	72 Å²	72	21.9 Å²	21.9	31%	0.313	12%	0.118	S	C	.	.	S	Bend	trans	56.7	30.3	-175.9	-57.4	177.8	-178.4	-176.7	0	113.1	D574 F576 N603 N604	D574-K606 IonicContact OD1-NZ 3.45Å; D574-K606 PolarHBondContact OD1-NZ 3.07Å; D574-K606 VanDerWaalsContact OD2-CE 3.28Å; D574-K606 WeakPolarHBondContact OD2-CE 3.5Å; D574-K606 IonicContact OD2-NZ 3.95Å; D574-K606 PolarHBondContact OD2-NZ 3.49Å; F576-K606 HydrophobicContact CE2-CB 3.68Å; F576-K606 HydrophobicContact CE2-CD 3.81Å; F576-K606 HydrophobicContact CE2-CG 3.82Å; F576-K606 HydrophobicContact CZ-CB 3.82Å; F576-K606 HydrophobicContact CZ-CD 4.36Å; F576-K606 HydrophobicContact CZ-CG 4.42Å; N603-K606 PolarHBondContact O-N 3.4Å; N603-K606 WeakPolarHBondContact OD1-CA 3.28Å; N603-K606 PolarHBondContact OD1-N 2.86Å; N604-K606 VanDerWaalsContact C-N 3.28Å; N604-K606 PolarHBondContact O-N 3.32Å
607	T	98.3	Very high	98	Very high	23 Å²	23	20.6 Å²	20.6	14%	0.141	11%	0.109	C	C	.	.	S	Bend	trans	-106.6	-11.1	-179.1	59	0	0	0	0	113.9	N603 S605 S622 M623 Q624 R635	N603-T607 PolarHBondContact ND2-OG1 3.35Å; N603-T607 PolarHBondContact OD1-N 3.01Å; S605-T607 WeakPolarHBondContact O-CG2 3.48Å; S605-T607 PolarHBondContact O-N 2.86Å; T607-S622 CarbonylContact O-C 3.54Å; T607-S622 WeakPolarHBondContact O-CA 3.5Å; T607-S622 PolarHBondContact O-OG 2.98Å; T607-M623 CarbonylContact C-O 3.54Å; T607-M623 WeakPolarHBondContact CA-O 3.49Å; T607-M623 WeakPolarHBondContact CB-O 3.37Å; T607-M623 PolarHBondContact O-N 3.24Å; T607-M623 VanDerWaalsContact O-O 3.06Å; T607-Q624 HydrophobicContact CG2-CB 4.2Å; T607-R635 PolarHBondContact O-NE 2.86Å
608	F	98.7	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	127.6	171	-179.3	-98.3	0	0	0	109	L549 H553 F601 H602 N603 V610 I620 I621 R635 I643	L549-F608 HydrophobicContact CD1-CE1 3.94Å; H553-F608 AromaticContact CD2-CD1 3.88Å; H553-F608 AromaticContact CD2-CD2 3.79Å; H553-F608 AromaticContact CD2-CE2 3.93Å; H553-F608 AromaticContact CD2-CG 3.76Å; F601-F608 HydrophobicContact CD1-CD1 4.42Å; F601-F608 HydrophobicContact CD1-CE1 4.44Å; F601-F608 HydrophobicContact CE1-CD1 4.05Å; F601-F608 HydrophobicContact CE1-CE1 4.18Å; H602-F608 CarbonylContact C-O 3.5Å; H602-F608 VanDerWaalsContact CA-O 3.22Å; H602-F608 WeakPolarHBondContact CA-O 3.34Å; N603-F608 HydrophobicContact CB-CB 4.47Å; N603-F608 PolarHBondContact N-O 2.9Å; N603-F608 PolarHBondContact OD1-N 2.84Å; N603-F608 VanDerWaalsContact OD1-N 3.07Å; N603-F608 PolarHBondContact OD1-O 3.45Å; F608-V610 HydrophobicContact CE1-CG2 3.9Å; F608-V610 HydrophobicContact CZ-CG2 4.11Å; F608-I620 HydrophobicContact CE2-CG2 3.57Å; F608-I620 HydrophobicContact CZ-CG2 3.58Å; F608-I621 CarbonylContact C-O 3.27Å; F608-I621 WeakPolarHBondContact CA-O 3.28Å; F608-I621 WeakPolarHBondContact CD2-O 3.48Å; F608-R635 HydrophobicContact CB-CG 4.3Å; F608-R635 HydrophobicContact CD2-CG 4.31Å; F608-I643 HydrophobicContact CZ-CD1 4.15Å
609	L	98.3	Very high	98	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151	-174.5	-51.5	89.4	0	0	0	110.9	F576 F601 H602 I621 M623	F576-L609 HydrophobicContact CB-CD2 4.25Å; F576-L609 HydrophobicContact CD1-CD2 3.57Å; F576-L609 HydrophobicContact CD2-CD2 3.48Å; F576-L609 VanDerWaalsContact CD2-CD2 3.48Å; F576-L609 HydrophobicContact CE1-CD2 3.67Å; F576-L609 HydrophobicContact CE2-CD2 3.57Å; F576-L609 HydrophobicContact CG-CD2 3.49Å; F576-L609 VanDerWaalsContact CG-CD2 3.49Å; F576-L609 HydrophobicContact CZ-CD2 3.68Å; F601-L609 CarbonylContact O-C 3.54Å; F601-L609 WeakPolarHBondContact O-CA 3.39Å; H602-L609 HydrophobicContact CB-CB 4.3Å; H602-L609 HydrophobicContact CB-CD2 4.07Å; H602-L609 HydrophobicContact CB-CG 3.78Å; L609-I621 HydrophobicContact CB-CB 4.26Å; L609-I621 HydrophobicContact CD1-CG2 4.29Å; L609-I621 PolarHBondContact N-O 3.37Å; L609-I621 PolarHBondContact O-N 3.3Å; L609-M623 HydrophobicContact CD1-CG 3.91Å; L609-M623 HydrophobicContact CD1-SD 3.88Å
610	V	98.6	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	122	170.7	-173.5	0	0	0	0	109.3	L546 F601 F608 V612 M618 R619 I620 I643	L546-V610 HydrophobicContact CD1-CB 4.13Å; L546-V610 HydrophobicContact CD1-CG1 4.18Å; L546-V610 HydrophobicContact CD2-CB 4.12Å; L546-V610 HydrophobicContact CD2-CG1 4.37Å; L546-V610 HydrophobicContact CD2-CG2 3.72Å; F601-V610 HydrophobicContact CB-CB 4.19Å; F601-V610 HydrophobicContact CD1-CG2 4.33Å; F601-V610 PolarHBondContact N-O 3.4Å; F601-V610 PolarHBondContact O-N 2.91Å; F608-V610 HydrophobicContact CE1-CG2 3.9Å; F608-V610 HydrophobicContact CZ-CG2 4.11Å; V610-V612 HydrophobicContact CG1-CG2 4.34Å; V610-M618 HydrophobicContact CG1-CB 4.15Å; V610-M618 HydrophobicContact CG1-CG 4.09Å; V610-R619 WeakPolarHBondContact CA-O 3.18Å; V610-I620 HydrophobicContact CG1-CG1 4.29Å; V610-I620 HydrophobicContact CG2-CG1 4.37Å; V610-I620 HydrophobicContact CG2-CG2 4.19Å; V610-I643 HydrophobicContact CG2-CD1 4.04Å
611	W	98.3	Very high	98.1	Very high	42 Å²	42	22.1 Å²	22.1	16%	0.159	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	130.7	164.3	-67.1	-12.6	0	0	0	109.4	F576 F578 M618 R619 I621	F576-W611 VanDerWaalsContact O-CE2 3.28Å; F576-W611 VanDerWaalsContact O-CZ2 3.29Å; F576-W611 WeakPolarHBondContact O-CZ2 3.39Å; F576-W611 PolarHBondContact O-NE1 2.84Å; F578-W611 HydrophobicContact CB-CD2 4.39Å; F578-W611 HydrophobicContact CB-CE3 4.18Å; F578-W611 HydrophobicContact CB-CH2 4.12Å; F578-W611 HydrophobicContact CB-CZ2 4.31Å; F578-W611 HydrophobicContact CB-CZ3 4.03Å; F578-W611 HydrophobicContact CD1-CB 4.14Å; F578-W611 AromaticContact CD1-CD1 3.93Å; F578-W611 AromaticContact CD1-CD2 3.72Å; F578-W611 HydrophobicContact CD1-CD2 3.72Å; F578-W611 HydrophobicContact CD1-CE3 4.15Å; F578-W611 AromaticContact CD1-CG 3.71Å; F578-W611 HydrophobicContact CD1-CG 3.71Å; F578-W611 HydrophobicContact CE1-CB 4Å; F578-W611 HydrophobicContact CE1-CD2 4.46Å; F578-W611 AromaticContact CE1-CG 4Å; F578-W611 HydrophobicContact CE1-CG 4Å; F578-W611 HydrophobicContact CG-CD2 4.42Å; F578-W611 HydrophobicContact CG-CE3 4.44Å; W611-M618 WeakPolarHBondContact O-CA 3.28Å; W611-R619 HydrophobicContact CB-CB 4.25Å; W611-R619 VanDerWaalsContact CE3-NH1 3.31Å; W611-R619 PolarHBondContact N-O 3.48Å; W611-R619 PolarHBondContact O-N 2.79Å; W611-I621 HydrophobicContact CD2-CD1 4.49Å
612	V	98.6	Very high	98.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.1	-178.4	-177.5	0	0	0	0	109.5	I542 L546 Y557 R598 G599 V610	I542-V612 HydrophobicContact CB-CG1 4.29Å; I542-V612 HydrophobicContact CD1-CG1 3.95Å; I542-V612 HydrophobicContact CG2-CG1 4.1Å; I542-V612 HydrophobicContact CG2-CG2 3.67Å; L546-V612 HydrophobicContact CD1-CG2 3.96Å; Y557-V612 HydrophobicContact CE2-CB 4.27Å; Y557-V612 HydrophobicContact CE2-CG2 3.66Å; R598-V612 WeakPolarHBondContact CA-O 3.41Å; G599-V612 PolarHBondContact N-O 3.21Å; G599-V612 PolarHBondContact O-N 2.96Å; V610-V612 HydrophobicContact CG1-CG2 4.34Å
613	C	98.4	Very high	98.1	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	12%	0.123	C	C	.	.	S	Bend	trans	59.5	43	170.9	-155.9	0	0	0	0	115.8	R535 L538 G597 R598 D616 H617	R535-C613 PolarHBondContact NH1-SG 3Å; L538-C613 HydrophobicContact CD2-CB 4.5Å; G597-C613 WeakPolarHBondContact O-CB 3.14Å; R598-C613 WeakPolarHBondContact CD-O 3.42Å; R598-C613 HydrophobicContact CG-CB 4.4Å; R598-C613 VanDerWaalsContact CG-O 3.3Å; R598-C613 WeakPolarHBondContact CG-O 3.47Å; R598-C613 PolarHBondContact NE-O 3.48Å; C613-D616 WeakPolarHBondContact CA-O 3.33Å; C613-H617 PolarHBondContact N-O 2.93Å
614	E	97.2	Very high	98.1	Very high	27 Å²	27	25.8 Å²	25.8	13%	0.126	13%	0.133	C	C	.	.	S	Bend	trans	-83.5	-99.6	169.1	-175	-117.7	42.6	0	0	110.5	P527 F578 L585 D616 R619	P527-E614 WeakPolarHBondContact CB-O 3.09Å; F578-E614 HydrophobicContact CB-CG 4.5Å; F578-E614 HydrophobicContact CD2-CB 4.15Å; F578-E614 HydrophobicContact CD2-CG 3.87Å; F578-E614 HydrophobicContact CE2-CB 4.08Å; F578-E614 HydrophobicContact CE2-CG 4.26Å; F578-E614 HydrophobicContact CG-CB 4.47Å; F578-E614 HydrophobicContact CG-CG 4.19Å; F578-E614 HydrophobicContact CZ-CB 4.33Å; L585-E614 HydrophobicContact CD2-CG 4.04Å; E614-D616 PolarHBondContact N-O 3.33Å; E614-R619 IonicContact OE1-CZ 2.83Å; E614-R619 IonicContact OE1-NH1 3.32Å; E614-R619 PolarHBondContact OE1-NH1 2.84Å; E614-R619 IonicContact OE1-NH2 2.7Å; E614-R619 PolarHBondContact OE1-NH2 3.05Å; E614-R619 IonicContact OE2-CZ 2.57Å; E614-R619 IonicContact OE2-NH1 3.53Å; E614-R619 PolarHBondContact OE2-NH1 2.89Å; E614-R619 IonicContact OE2-NH2 2.86Å
615	E	97.9	Very high	98.1	Very high	18 Å²	18	26.3 Å²	26.3	8%	0.084	13%	0.131	C	C	.	.	S	Bend	trans	-87.3	-40.5	172.1	-178.1	176.6	103.3	0	0	111.7	R456 P527 L585 C660	R456-E615 IonicContact CZ-OE2 3.3Å; R456-E615 IonicContact NE-OE1 2.79Å; R456-E615 IonicContact NE-OE2 3.73Å; R456-E615 PolarHBondContact NE-OE2 3.48Å; R456-E615 IonicContact NH2-OE2 3.68Å; R456-E615 PolarHBondContact NH2-OE2 3.37Å; P527-E615 WeakPolarHBondContact CD-O 3.41Å; P527-E615 WeakPolarHBondContact CG-O 3.11Å; L585-E615 HydrophobicContact CD1-CB 4.02Å; L585-E615 HydrophobicContact CD1-CG 4.11Å; L585-E615 HydrophobicContact CD2-CB 4.22Å; E615-C660 HydrophobicContact CG-CB 4.23Å; E615-C660 VanDerWaalsContact O-CB 3.22Å; E615-C660 WeakPolarHBondContact O-CB 3.49Å
616	D	98.6	Very high	98.1	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	11%	0.112	C	C	.	.	S	Bend	trans	-108.7	167.5	172.9	-64.5	-59	0	0	0	109.9	C613 E614 M618 T659 C660	C613-D616 WeakPolarHBondContact CA-O 3.33Å; E614-D616 PolarHBondContact N-O 3.33Å; D616-M618 VanDerWaalsContact C-N 3.28Å; D616-M618 PolarHBondContact O-N 3.07Å; D616-T659 VanDerWaalsContact OD1-CB 3.28Å; D616-T659 WeakPolarHBondContact OD1-CB 3.32Å; D616-C660 WeakPolarHBondContact OD1-CB 3.16Å; D616-C660 PolarHBondContact OD1-N 2.88Å
617	H	98.8	Very high	98.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-60	-41.1	175.5	-64.6	170.5	0	0	0	111.7	V521 F524 L525 F526 L538 I542 C613	V521-H617 HydrophobicContact CG2-CB 4.22Å; V521-H617 PolarHBondContact N-ND1 2.97Å; F524-H617 WeakPolarHBondContact CB-CE1 3.32Å; L525-H617 PolarHBondContact O-NE2 3.13Å; F526-H617 AromaticContact CD1-CE1 3.94Å; F526-H617 AromaticContact CD1-NE2 3.74Å; L538-H617 HydrophobicContact CD1-CB 4.22Å; L538-H617 HydrophobicContact CD2-CB 3.88Å; L538-H617 VanDerWaalsContact CD2-CD2 3.43Å; L538-H617 WeakPolarHBondContact CD2-CD2 3.4Å; L538-H617 VanDerWaalsContact CD2-CG 3.49Å; I542-H617 HydrophobicContact CD1-CB 4.26Å; C613-H617 PolarHBondContact N-O 2.93Å
618	M	98.8	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	137.7	173.3	-68.7	167.8	-71.3	0	0	111.5	G518 R519 V521 I542 V610 W611 D616 I620 I643 M647 F649	G518-M618 WeakPolarHBondContact CA-O 3.28Å; R519-M618 HydrophobicContact CB-CB 4.48Å; R519-M618 HydrophobicContact CB-CE 4.05Å; R519-M618 PolarHBondContact N-O 3.18Å; R519-M618 PolarHBondContact O-N 3.06Å; V521-M618 HydrophobicContact CG2-CE 3.65Å; I542-M618 HydrophobicContact CD1-CE 4.46Å; I542-M618 HydrophobicContact CD1-CG 3.71Å; I542-M618 HydrophobicContact CD1-SD 4.14Å; I542-M618 HydrophobicContact CG1-CE 4.47Å; I542-M618 HydrophobicContact CG1-CG 4.19Å; I542-M618 HydrophobicContact CG1-SD 3.98Å; I542-M618 HydrophobicContact CG2-CG 3.96Å; I542-M618 HydrophobicContact CG2-SD 3.89Å; V610-M618 HydrophobicContact CG1-CB 4.15Å; V610-M618 HydrophobicContact CG1-CG 4.09Å; W611-M618 WeakPolarHBondContact O-CA 3.28Å; D616-M618 VanDerWaalsContact C-N 3.28Å; D616-M618 PolarHBondContact O-N 3.07Å; M618-I620 HydrophobicContact CB-CG1 4.11Å; M618-I643 HydrophobicContact SD-CG2 3.84Å; M618-M647 HydrophobicContact CE-SD 3.58Å; M618-M647 VanDerWaalsContact CE-SD 3.58Å; M618-M647 HydrophobicContact SD-SD 4Å; M618-F649 HydrophobicContact CE-CD1 4.12Å; M618-F649 HydrophobicContact CE-CE1 3.59Å
619	R	98.4	Very high	98.1	Very high	28 Å²	28	21 Å²	21	11%	0.106	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	104.1	158.4	-170.1	174.8	-70.6	143	5.4	108.3	V517 V610 W611 E614 I621	V517-R619 WeakPolarHBondContact O-CA 3.48Å; V610-R619 WeakPolarHBondContact CA-O 3.18Å; W611-R619 HydrophobicContact CB-CB 4.25Å; W611-R619 VanDerWaalsContact CE3-NH1 3.31Å; W611-R619 PolarHBondContact N-O 3.48Å; W611-R619 PolarHBondContact O-N 2.79Å; E614-R619 IonicContact OE1-CZ 2.83Å; E614-R619 IonicContact OE1-NH1 3.32Å; E614-R619 PolarHBondContact OE1-NH1 2.84Å; E614-R619 IonicContact OE1-NH2 2.7Å; E614-R619 PolarHBondContact OE1-NH2 3.05Å; E614-R619 IonicContact OE2-CZ 2.57Å; E614-R619 IonicContact OE2-NH1 3.53Å; E614-R619 PolarHBondContact OE2-NH1 2.89Å; E614-R619 IonicContact OE2-NH2 2.86Å; R619-I621 HydrophobicContact CG-CD1 4.2Å; R619-I621 HydrophobicContact CG-CG1 4.1Å
620	I	98.7	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.2	-177.3	-51.7	169.3	0	0	0	107.8	R516 V517 R519 F608 V610 M618 L636 I640 I643	R516-I620 CarbonylContact C-O 3.59Å; R516-I620 WeakPolarHBondContact CA-O 3.24Å; R516-I620 WeakPolarHBondContact CB-O 3.37Å; V517-I620 HydrophobicContact CG2-CB 3.93Å; V517-I620 HydrophobicContact CG2-CD1 4.33Å; V517-I620 HydrophobicContact CG2-CG1 4.47Å; V517-I620 PolarHBondContact N-O 3.14Å; V517-I620 PolarHBondContact O-N 2.75Å; R519-I620 HydrophobicContact CG-CD1 4.11Å; F608-I620 HydrophobicContact CE2-CG2 3.57Å; F608-I620 HydrophobicContact CZ-CG2 3.58Å; V610-I620 HydrophobicContact CG1-CG1 4.29Å; V610-I620 HydrophobicContact CG2-CG1 4.37Å; V610-I620 HydrophobicContact CG2-CG2 4.19Å; M618-I620 HydrophobicContact CB-CG1 4.11Å; I620-L636 HydrophobicContact CB-CD1 4.39Å; I620-L636 HydrophobicContact CG2-CD1 3.82Å; I620-I640 HydrophobicContact CB-CG1 4.48Å; I620-I640 HydrophobicContact CD1-CG1 3.98Å; I620-I640 HydrophobicContact CG2-CG1 4.11Å; I620-I643 HydrophobicContact CD1-CD1 3.92Å; I620-I643 HydrophobicContact CG1-CD1 4.22Å; I620-I643 HydrophobicContact CG2-CD1 4.36Å
621	I	98.7	Very high	98.1	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	133	-167.3	-57.8	161.7	0	0	0	108.7	R514 R516 F608 L609 W611 R619 M623	R514-I621 HydrophobicContact CG-CG2 4.08Å; R514-I621 VanDerWaalsContact NE-CG2 3.35Å; R516-I621 HydrophobicContact CB-CB 4.36Å; R516-I621 HydrophobicContact CB-CG1 3.81Å; F608-I621 CarbonylContact C-O 3.27Å; F608-I621 WeakPolarHBondContact CA-O 3.28Å; F608-I621 WeakPolarHBondContact CD2-O 3.48Å; L609-I621 HydrophobicContact CB-CB 4.26Å; L609-I621 HydrophobicContact CD1-CG2 4.29Å; L609-I621 PolarHBondContact N-O 3.37Å; L609-I621 PolarHBondContact O-N 3.3Å; W611-I621 HydrophobicContact CD2-CD1 4.49Å; R619-I621 HydrophobicContact CG-CD1 4.2Å; R619-I621 HydrophobicContact CG-CG1 4.1Å; I621-M623 HydrophobicContact CG2-CG 4.49Å; I621-M623 HydrophobicContact CG2-SD 4.01Å
622	S	98.7	Very high	98.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.3	163.6	-177.6	0	0	0	0	108.3	R514 V515 T607 V632 R635	R514-S622 CarbonylContact C-O 3.51Å; R514-S622 WeakPolarHBondContact CA-O 3.29Å; V515-S622 PolarHBondContact N-O 2.8Å; V515-S622 PolarHBondContact O-N 2.92Å; T607-S622 CarbonylContact O-C 3.54Å; T607-S622 WeakPolarHBondContact O-CA 3.5Å; T607-S622 PolarHBondContact O-OG 2.98Å; S622-V632 WeakPolarHBondContact CB-O 3.38Å; S622-V632 VanDerWaalsContact O-CG1 3.24Å; S622-V632 WeakPolarHBondContact O-CG1 3.27Å; S622-V632 PolarHBondContact OG-O 3.47Å; S622-R635 PolarHBondContact OG-NE 3.17Å; S622-R635 PolarHBondContact OG-NH2 3.4Å
623	M	98	Very high	98.2	Very high	45 Å²	45	21.3 Å²	21.3	22%	0.222	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	161	177	61.6	-161.4	-56.1	0	0	112.4	T513 R514 F576 T607 L609 I621 R635	T513-M623 CarbonylContact O-C 3.25Å; T513-M623 WeakPolarHBondContact O-CA 3.43Å; T513-M623 WeakPolarHBondContact O-CB 3.17Å; R514-M623 HydrophobicContact CB-CB 3.86Å; R514-M623 HydrophobicContact CB-CE 4.43Å; R514-M623 HydrophobicContact CG-CB 4.03Å; R514-M623 HydrophobicContact CG-CE 4.43Å; F576-M623 HydrophobicContact CE1-SD 4.49Å; T607-M623 CarbonylContact C-O 3.54Å; T607-M623 WeakPolarHBondContact CA-O 3.49Å; T607-M623 WeakPolarHBondContact CB-O 3.37Å; T607-M623 PolarHBondContact O-N 3.24Å; T607-M623 VanDerWaalsContact O-O 3.06Å; L609-M623 HydrophobicContact CD1-CG 3.91Å; L609-M623 HydrophobicContact CD1-SD 3.88Å; I621-M623 HydrophobicContact CG2-CG 4.49Å; I621-M623 HydrophobicContact CG2-SD 4.01Å; M623-R635 PolarHBondContact O-NH2 2.95Å; M623-R635 VanDerWaalsContact O-NH2 3.07Å
624	Q	97.5	Very high	98.2	Very high	49 Å²	49	25 Å²	25	23%	0.229	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	166.6	169.2	65	-167.6	60.4	0	0	110.3	S512 T513 T607 V632	S512-Q624 WeakPolarHBondContact CA-O 3.36Å; S512-Q624 WeakPolarHBondContact CB-O 3.43Å; T513-Q624 PolarHBondContact N-O 3.21Å; T513-Q624 PolarHBondContact O-N 3.03Å; T607-Q624 HydrophobicContact CG2-CB 4.2Å; Q624-V632 HydrophobicContact CB-CG2 4.48Å; Q624-V632 HydrophobicContact CG-CG2 3.52Å
625	Q	96	Very high	98.2	Very high	147 Å²	147	23.9 Å²	23.9	69%	0.687	13%	0.126	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	149.4	168.4	-60	-61.9	-33.2	0	0	110.9	V511	V511-Q625 PolarHBondContact O-OE1 3.17Å
626	G	96.9	Very high	98.3	Very high	22 Å²	22	23 Å²	23	23%	0.227	12%	0.122	C	C	.	.	S	Bend	trans	82.2	-174.9	-179	0	0	0	0	0	115	I510 V511 S512 T513	I510-G626 WeakPolarHBondContact CG2-O 3.14Å; V511-G626 PolarHBondContact O-N 2.94Å; S512-G626 CarbonylContact C-O 3.49Å; T513-G626 WeakPolarHBondContact CB-O 3.43Å; T513-G626 PolarHBondContact N-O 3.33Å; T513-G626 PolarHBondContact OG1-O 3.43Å
627	G	97.7	Very high	98.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-96.2	6.4	-168.6	0	0	0	0	0	116.7	D502 L503 T513 L629	D502-G627 VanDerWaalsContact OD1-CA 3.31Å; D502-G627 WeakPolarHBondContact OD1-CA 3.25Å; L503-G627 PolarHBondContact N-O 2.68Å; T513-G627 WeakPolarHBondContact OG1-CA 3.48Å; G627-L629 VanDerWaalsContact C-N 3.3Å; G627-L629 PolarHBondContact O-N 3.24Å
628	N	98.3	Very high	98.3	Very high	50 Å²	50	25.9 Å²	25.9	27%	0.267	14%	0.136	S	C	.	.	B	Isolated β-bridge	trans	-75.6	76.9	-173	-164.7	-22.8	0	0	0	113.3	D502 A630 A631 V632	D502-N628 HydrophobicContact CB-CB 4.2Å; D502-N628 PolarHBondContact OD1-N 3.46Å; N628-A630 VanDerWaalsContact C-N 3.31Å; N628-A630 PolarHBondContact O-N 2.91Å; N628-A630 PolarHBondContact OD1-N 3.24Å; N628-A631 HydrophobicContact CB-CB 4.32Å; N628-A631 PolarHBondContact O-N 3.43Å; N628-A631 WeakPolarHBondContact OD1-CB 3.38Å; N628-A631 PolarHBondContact OD1-N 3.42Å; N628-V632 WeakPolarHBondContact O-CG2 3.48Å; N628-V632 PolarHBondContact O-N 3.15Å
629	L	98.5	Very high	98.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.9	-38	178.1	178.9	61.2	0	0	0	112.3	F500 G501 L503 T513 V515 G627 A631 V632 Y633 M732 A733	F500-L629 HydrophobicContact CB-CD2 4.37Å; F500-L629 HydrophobicContact CD1-CD2 4.4Å; F500-L629 HydrophobicContact CD2-CB 4.23Å; F500-L629 HydrophobicContact CD2-CD2 3.79Å; F500-L629 HydrophobicContact CD2-CG 3.73Å; F500-L629 HydrophobicContact CE2-CD2 4.15Å; F500-L629 HydrophobicContact CE2-CG 3.88Å; F500-L629 HydrophobicContact CG-CD2 3.93Å; F500-L629 HydrophobicContact CG-CG 4.39Å; G501-L629 PolarHBondContact O-N 2.95Å; L503-L629 HydrophobicContact CD1-CB 4.2Å; L503-L629 HydrophobicContact CD1-CD2 4.1Å; L503-L629 HydrophobicContact CG-CB 4.27Å; T513-L629 HydrophobicContact CG2-CB 4.13Å; T513-L629 HydrophobicContact CG2-CD1 3.78Å; V515-L629 HydrophobicContact CG2-CD1 3.56Å; G627-L629 VanDerWaalsContact C-N 3.3Å; G627-L629 PolarHBondContact O-N 3.24Å; L629-A631 PolarHBondContact O-N 3.4Å; L629-V632 PolarHBondContact O-N 3.31Å; L629-Y633 WeakPolarHBondContact O-CB 3.26Å; L629-Y633 PolarHBondContact O-N 3.46Å; L629-M732 HydrophobicContact CD1-CE 3.64Å; L629-M732 HydrophobicContact CD2-CE 3.67Å; L629-M732 HydrophobicContact CG-CE 4.24Å; L629-A733 HydrophobicContact CD2-CB 3.79Å
630	A	98.5	Very high	98.3	Very high	21 Å²	21	24.6 Å²	24.6	17%	0.174	13%	0.131	C	C	.	.	H	α-helix	trans	-58.8	-46.9	179.3	0	0	0	0	0	112.2	L498 F500 G501 N628 Y633 K634	L498-A630 HydrophobicContact CD1-CB 4.17Å; F500-A630 HydrophobicContact CD2-CB 4.34Å; F500-A630 WeakPolarHBondContact O-CB 3.02Å; G501-A630 PolarHBondContact O-N 2.98Å; N628-A630 VanDerWaalsContact C-N 3.31Å; N628-A630 PolarHBondContact O-N 2.91Å; N628-A630 PolarHBondContact OD1-N 3.24Å; A630-Y633 PolarHBondContact O-N 3.17Å; A630-K634 VanDerWaalsContact O-CB 3.29Å; A630-K634 WeakPolarHBondContact O-CB 3.08Å; A630-K634 PolarHBondContact O-N 3.06Å
631	A	98.4	Very high	98.3	Very high	32 Å²	32	28.1 Å²	28.1	26%	0.264	15%	0.15	S	C	.	.	H	α-helix	trans	-64.2	-45.4	177.5	0	0	0	0	0	111.8	N628 L629 Y633 R635	N628-A631 HydrophobicContact CB-CB 4.32Å; N628-A631 PolarHBondContact O-N 3.43Å; N628-A631 WeakPolarHBondContact OD1-CB 3.38Å; N628-A631 PolarHBondContact OD1-N 3.42Å; L629-A631 PolarHBondContact O-N 3.4Å; A631-Y633 PolarHBondContact O-N 3.04Å; A631-R635 WeakPolarHBondContact O-CB 3.46Å; A631-R635 PolarHBondContact O-N 2.93Å
632	V	98.7	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-47	177.9	175.1	0	0	0	0	111.2	T513 V515 S622 Q624 N628 L629 L636	T513-V632 HydrophobicContact CG2-CB 4.37Å; T513-V632 HydrophobicContact CG2-CG2 4.17Å; V515-V632 HydrophobicContact CB-CG1 4.15Å; V515-V632 HydrophobicContact CG2-CG1 3.8Å; S622-V632 WeakPolarHBondContact CB-O 3.38Å; S622-V632 VanDerWaalsContact O-CG1 3.24Å; S622-V632 WeakPolarHBondContact O-CG1 3.27Å; S622-V632 PolarHBondContact OG-O 3.47Å; Q624-V632 HydrophobicContact CB-CG2 4.48Å; Q624-V632 HydrophobicContact CG-CG2 3.52Å; N628-V632 WeakPolarHBondContact O-CG2 3.48Å; N628-V632 PolarHBondContact O-N 3.15Å; L629-V632 PolarHBondContact O-N 3.31Å; V632-L636 WeakPolarHBondContact O-CB 3.45Å; V632-L636 PolarHBondContact O-N 3.48Å
633	Y	98.8	Very high	98.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.5	-49.2	-179.4	-173.7	-87.8	0	0	0	111.2	F492 L495 L498 F500 L629 A630 A631 R635 L636 I637 M669 E725 L726 A729	F492-Y633 WeakPolarHBondContact O-CE1 3.39Å; F492-Y633 PolarHBondContact O-OH 3.44Å; L495-Y633 HydrophobicContact CD2-CD1 4.33Å; L495-Y633 HydrophobicContact CD2-CE1 4.14Å; L498-Y633 HydrophobicContact CD1-CD1 3.95Å; L498-Y633 HydrophobicContact CD2-CD1 3.95Å; L498-Y633 HydrophobicContact CD2-CE1 3.97Å; F500-Y633 HydrophobicContact CE2-CD1 4.37Å; F500-Y633 HydrophobicContact CE2-CD2 4.45Å; F500-Y633 AromaticContact CE2-CG 3.99Å; F500-Y633 HydrophobicContact CE2-CG 3.99Å; F500-Y633 HydrophobicContact CZ-CD1 4.08Å; F500-Y633 AromaticContact CZ-CD2 3.96Å; F500-Y633 HydrophobicContact CZ-CD2 3.96Å; F500-Y633 HydrophobicContact CZ-CE1 4.46Å; F500-Y633 HydrophobicContact CZ-CE2 4.33Å; F500-Y633 AromaticContact CZ-CG 3.82Å; F500-Y633 HydrophobicContact CZ-CG 3.82Å; L629-Y633 WeakPolarHBondContact O-CB 3.26Å; L629-Y633 PolarHBondContact O-N 3.46Å; A630-Y633 PolarHBondContact O-N 3.17Å; A631-Y633 PolarHBondContact O-N 3.04Å; Y633-R635 PolarHBondContact O-N 3.34Å; Y633-L636 WeakPolarHBondContact O-CB 3.21Å; Y633-L636 PolarHBondContact O-N 2.94Å; Y633-L636 VanDerWaalsContact O-N 3.08Å; Y633-I637 HydrophobicContact CD1-CG1 3.86Å; Y633-I637 HydrophobicContact CE1-CD1 4.09Å; Y633-I637 HydrophobicContact CE1-CG1 3.5Å; Y633-I637 HydrophobicContact CE2-CD1 4.43Å; Y633-I637 WeakPolarHBondContact O-CG1 3.29Å; Y633-I637 PolarHBondContact O-N 3Å; Y633-M669 HydrophobicContact CD2-SD 4.38Å; Y633-M669 HydrophobicContact CE2-CE 3.77Å; Y633-M669 HydrophobicContact CE2-SD 3.72Å; Y633-E725 WeakPolarHBondContact OH-CB 3.16Å; Y633-L726 PolarHBondContact OH-N 2.96Å; Y633-A729 HydrophobicContact CD2-CB 3.66Å; Y633-A729 HydrophobicContact CE2-CB 3.57Å
634	K	98.7	Very high	98.2	Very high	77 Å²	77	28.7 Å²	28.7	34%	0.335	17%	0.165	S	C	.	.	H	α-helix	trans	-55.5	-50.5	177.3	177.3	174.8	179.2	-62.9	0	111.6	L495 A630 L636 I637 E638	L495-K634 HydrophobicContact CB-CG 4.23Å; L495-K634 HydrophobicContact CD1-CG 4.43Å; A630-K634 VanDerWaalsContact O-CB 3.29Å; A630-K634 WeakPolarHBondContact O-CB 3.08Å; A630-K634 PolarHBondContact O-N 3.06Å; K634-L636 VanDerWaalsContact C-N 3.29Å; K634-L636 PolarHBondContact O-N 3.24Å; K634-I637 PolarHBondContact O-N 2.67Å; K634-E638 VanDerWaalsContact CE-OE1 3.28Å; K634-E638 WeakPolarHBondContact CE-OE1 3.36Å; K634-E638 VanDerWaalsContact NZ-CD 3.26Å; K634-E638 IonicContact NZ-OE1 3.83Å; K634-E638 PolarHBondContact NZ-OE1 3.21Å; K634-E638 IonicContact NZ-OE2 3.05Å; K634-E638 PolarHBondContact NZ-OE2 3.07Å; K634-E638 VanDerWaalsContact NZ-OE2 3.12Å; K634-E638 WeakPolarHBondContact O-CG 3.45Å; K634-E638 PolarHBondContact O-N 3.41Å
635	R	98.8	Very high	98.2	Very high	5 Å²	5	35 Å²	35	2%	0.019	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-40	176.3	177.5	172.6	56	-98.8	-1.9	111.8	E552 H553 T607 F608 S622 M623 A631 Y633 G639	E552-R635 VanDerWaalsContact OE1-CD 3.32Å; E552-R635 WeakPolarHBondContact OE1-CD 3.42Å; E552-R635 IonicContact OE1-CZ 3.96Å; E552-R635 IonicContact OE1-NE 3.92Å; E552-R635 IonicContact OE1-NH1 4Å; E552-R635 PolarHBondContact OE1-NH1 3.36Å; H553-R635 PolarHBondContact NE2-O 3.11Å; T607-R635 PolarHBondContact O-NE 2.86Å; F608-R635 HydrophobicContact CB-CG 4.3Å; F608-R635 HydrophobicContact CD2-CG 4.31Å; S622-R635 PolarHBondContact OG-NE 3.17Å; S622-R635 PolarHBondContact OG-NH2 3.4Å; M623-R635 PolarHBondContact O-NH2 2.95Å; M623-R635 VanDerWaalsContact O-NH2 3.07Å; A631-R635 WeakPolarHBondContact O-CB 3.46Å; A631-R635 PolarHBondContact O-N 2.93Å; Y633-R635 PolarHBondContact O-N 3.34Å; R635-G639 PolarHBondContact O-N 2.82Å; R635-G639 VanDerWaalsContact O-N 3.07Å
636	L	98.8	Very high	98.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-52.1	176.5	-178.9	65.3	0	0	0	111.5	V515 V517 I620 V632 Y633 K634 E638 G639 I640 M669	V515-L636 HydrophobicContact CB-CD2 3.75Å; V515-L636 HydrophobicContact CG1-CD2 3.37Å; V517-L636 HydrophobicContact CG1-CD2 4.4Å; I620-L636 HydrophobicContact CB-CD1 4.39Å; I620-L636 HydrophobicContact CG2-CD1 3.82Å; V632-L636 WeakPolarHBondContact O-CB 3.45Å; V632-L636 PolarHBondContact O-N 3.48Å; Y633-L636 WeakPolarHBondContact O-CB 3.21Å; Y633-L636 PolarHBondContact O-N 2.94Å; Y633-L636 VanDerWaalsContact O-N 3.08Å; K634-L636 VanDerWaalsContact C-N 3.29Å; K634-L636 PolarHBondContact O-N 3.24Å; L636-E638 PolarHBondContact O-N 2.88Å; L636-G639 PolarHBondContact O-N 3.2Å; L636-I640 HydrophobicContact CD1-CD1 4.06Å; L636-I640 HydrophobicContact CD1-CG1 4.27Å; L636-I640 HydrophobicContact CD2-CD1 4.29Å; L636-I640 HydrophobicContact CG-CD1 3.73Å; L636-I640 HydrophobicContact CG-CG1 4.34Å; L636-I640 VanDerWaalsContact O-CG1 3.3Å; L636-I640 WeakPolarHBondContact O-CG1 3.28Å; L636-I640 PolarHBondContact O-N 2.97Å; L636-M669 HydrophobicContact CD2-CE 4.17Å
637	I	98.7	Very high	98.3	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-42.6	-175.8	-59.5	-48.3	0	0	0	111.3	F492 L495 Y633 K634 G639 I640 N641 M669	F492-I637 HydrophobicContact CB-CD1 4.2Å; F492-I637 HydrophobicContact CB-CG1 4.12Å; F492-I637 HydrophobicContact CB-CG2 3.73Å; F492-I637 HydrophobicContact CD1-CD1 3.57Å; F492-I637 HydrophobicContact CD1-CG1 4.4Å; F492-I637 HydrophobicContact CD1-CG2 4.39Å; F492-I637 HydrophobicContact CD2-CG2 3.58Å; F492-I637 HydrophobicContact CE1-CD1 4.08Å; F492-I637 HydrophobicContact CE2-CG2 4.26Å; F492-I637 HydrophobicContact CG-CD1 3.91Å; F492-I637 HydrophobicContact CG-CG1 4.27Å; F492-I637 HydrophobicContact CG-CG2 3.65Å; L495-I637 HydrophobicContact CD1-CB 4.08Å; L495-I637 HydrophobicContact CD1-CG2 3.91Å; L495-I637 HydrophobicContact CD2-CB 4.04Å; L495-I637 HydrophobicContact CD2-CG1 4.1Å; L495-I637 HydrophobicContact CD2-CG2 4.09Å; Y633-I637 HydrophobicContact CD1-CG1 3.86Å; Y633-I637 HydrophobicContact CE1-CD1 4.09Å; Y633-I637 HydrophobicContact CE1-CG1 3.5Å; Y633-I637 HydrophobicContact CE2-CD1 4.43Å; Y633-I637 WeakPolarHBondContact O-CG1 3.29Å; Y633-I637 PolarHBondContact O-N 3Å; K634-I637 PolarHBondContact O-N 2.67Å; I637-G639 VanDerWaalsContact C-N 3.3Å; I637-G639 PolarHBondContact O-N 3.48Å; I637-I640 HydrophobicContact CD1-CD1 4.2Å; I637-I640 PolarHBondContact O-N 3.33Å; I637-N641 WeakPolarHBondContact O-CB 3.22Å; I637-N641 VanDerWaalsContact O-CG 3.3Å; I637-N641 PolarHBondContact O-N 2.89Å; I637-N641 PolarHBondContact O-ND2 3Å; I637-M669 HydrophobicContact CD1-CE 4.16Å
638	E	98.6	Very high	98.3	Very high	63 Å²	63	38.5 Å²	38.5	29%	0.294	21%	0.208	S	C	.	.	H	α-helix	trans	-59.9	-41.8	175.6	-72.1	173	160.7	0	0	111.5	L495 K634 L636 N641 A642	L495-E638 HydrophobicContact CD1-CG 4.01Å; K634-E638 VanDerWaalsContact CE-OE1 3.28Å; K634-E638 WeakPolarHBondContact CE-OE1 3.36Å; K634-E638 VanDerWaalsContact NZ-CD 3.26Å; K634-E638 IonicContact NZ-OE1 3.83Å; K634-E638 PolarHBondContact NZ-OE1 3.21Å; K634-E638 IonicContact NZ-OE2 3.05Å; K634-E638 PolarHBondContact NZ-OE2 3.07Å; K634-E638 VanDerWaalsContact NZ-OE2 3.12Å; K634-E638 WeakPolarHBondContact O-CG 3.45Å; K634-E638 PolarHBondContact O-N 3.41Å; L636-E638 PolarHBondContact O-N 2.88Å; E638-N641 PolarHBondContact O-N 3.39Å; E638-A642 WeakPolarHBondContact O-CB 3.46Å; E638-A642 PolarHBondContact O-N 3Å
639	G	98.6	Very high	98.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.7	-43.6	176.4	0	0	0	0	0	113.2	H553 R635 L636 I637 N641 A642 I643	H553-G639 PolarHBondContact NE2-N 3.27Å; R635-G639 PolarHBondContact O-N 2.82Å; R635-G639 VanDerWaalsContact O-N 3.07Å; L636-G639 PolarHBondContact O-N 3.2Å; I637-G639 VanDerWaalsContact C-N 3.3Å; I637-G639 PolarHBondContact O-N 3.48Å; G639-N641 PolarHBondContact O-N 3.42Å; G639-A642 PolarHBondContact O-N 2.87Å; G639-I643 VanDerWaalsContact O-CG1 3.32Å; G639-I643 WeakPolarHBondContact O-CG1 3.28Å; G639-I643 PolarHBondContact O-N 2.96Å
640	I	98.5	Very high	98.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-58.6	-48.5	175.1	-67.8	165.1	0	0	0	110.1	V517 I620 L636 I637 A642 I643 G644 F649	V517-I640 HydrophobicContact CB-CD1 4.45Å; V517-I640 HydrophobicContact CG1-CD1 4.12Å; V517-I640 HydrophobicContact CG2-CD1 3.5Å; V517-I640 VanDerWaalsContact CG2-CD1 3.5Å; V517-I640 HydrophobicContact CG2-CG1 3.92Å; I620-I640 HydrophobicContact CB-CG1 4.48Å; I620-I640 HydrophobicContact CD1-CG1 3.98Å; I620-I640 HydrophobicContact CG2-CG1 4.11Å; L636-I640 HydrophobicContact CD1-CD1 4.06Å; L636-I640 HydrophobicContact CD1-CG1 4.27Å; L636-I640 HydrophobicContact CD2-CD1 4.29Å; L636-I640 HydrophobicContact CG-CD1 3.73Å; L636-I640 HydrophobicContact CG-CG1 4.34Å; L636-I640 VanDerWaalsContact O-CG1 3.3Å; L636-I640 WeakPolarHBondContact O-CG1 3.28Å; L636-I640 PolarHBondContact O-N 2.97Å; I637-I640 HydrophobicContact CD1-CD1 4.2Å; I637-I640 PolarHBondContact O-N 3.33Å; I640-A642 VanDerWaalsContact C-N 3.32Å; I640-A642 PolarHBondContact O-N 2.87Å; I640-I643 PolarHBondContact O-N 2.75Å; I640-G644 PolarHBondContact O-N 3.36Å; I640-F649 HydrophobicContact CG2-CE2 3.88Å; I640-F649 HydrophobicContact CG2-CZ 4.5Å
641	N	98.3	Very high	98.3	Very high	74 Å²	74	39.8 Å²	39.8	40%	0.396	21%	0.209	S	C	.	.	H	α-helix	trans	-64.4	-37.2	-179.7	-72.4	-20.6	0	0	0	111.8	I637 E638 G639 K645	I637-N641 WeakPolarHBondContact O-CB 3.22Å; I637-N641 VanDerWaalsContact O-CG 3.3Å; I637-N641 PolarHBondContact O-N 2.89Å; I637-N641 PolarHBondContact O-ND2 3Å; E638-N641 PolarHBondContact O-N 3.39Å; G639-N641 PolarHBondContact O-N 3.42Å; N641-K645 WeakPolarHBondContact O-CG 3.42Å; N641-K645 PolarHBondContact O-N 3.14Å
642	A	98.5	Very high	98.2	Very high	31 Å²	31	39.7 Å²	39.7	26%	0.256	21%	0.207	S	C	.	.	H	α-helix	trans	-65.5	-44.5	176.4	0	0	0	0	0	112.1	L549 E638 G639 I640 K645	L549-A642 HydrophobicContact CD2-CB 3.46Å; L549-A642 VanDerWaalsContact CD2-CB 3.46Å; E638-A642 WeakPolarHBondContact O-CB 3.46Å; E638-A642 PolarHBondContact O-N 3Å; G639-A642 PolarHBondContact O-N 2.87Å; I640-A642 VanDerWaalsContact C-N 3.32Å; I640-A642 PolarHBondContact O-N 2.87Å; A642-K645 WeakPolarHBondContact O-CB 3.44Å; A642-K645 PolarHBondContact O-N 3.47Å
643	I	98.4	Very high	98	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.6	-44.5	176.4	-65.7	165.2	0	0	0	110.7	L546 L549 F608 V610 M618 I620 G639 I640 K645 S646 M647 F649	L546-I643 HydrophobicContact CD2-CD1 3.66Å; L546-I643 HydrophobicContact CD2-CG1 3.91Å; L549-I643 HydrophobicContact CD1-CG1 4.36Å; L549-I643 HydrophobicContact CD2-CG1 4.32Å; F608-I643 HydrophobicContact CZ-CD1 4.15Å; V610-I643 HydrophobicContact CG2-CD1 4.04Å; M618-I643 HydrophobicContact SD-CG2 3.84Å; I620-I643 HydrophobicContact CD1-CD1 3.92Å; I620-I643 HydrophobicContact CG1-CD1 4.22Å; I620-I643 HydrophobicContact CG2-CD1 4.36Å; G639-I643 VanDerWaalsContact O-CG1 3.32Å; G639-I643 WeakPolarHBondContact O-CG1 3.28Å; G639-I643 PolarHBondContact O-N 2.96Å; I640-I643 PolarHBondContact O-N 2.75Å; I643-K645 PolarHBondContact O-N 3.09Å; I643-S646 PolarHBondContact O-N 3.44Å; I643-M647 HydrophobicContact CG2-CE 3.76Å; I643-M647 HydrophobicContact CG2-SD 4.04Å; I643-F649 HydrophobicContact CB-CZ 4.49Å; I643-F649 HydrophobicContact CG2-CE1 4.28Å; I643-F649 HydrophobicContact CG2-CZ 4.11Å
644	G	97.7	Very high	97.8	Very high	29 Å²	29	47.4 Å²	47.4	30%	0.299	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-10.4	-179.3	0	0	0	0	0	115.1	I640 S646 M647	I640-G644 PolarHBondContact O-N 3.36Å; G644-S646 VanDerWaalsContact C-N 3.28Å; G644-M647 CarbonylContact C-O 3.57Å
645	K	97.6	Very high	97.7	Very high	182 Å²	182	44.1 Å²	44.1	79%	0.791	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-26.3	170.1	-70.6	173.5	-176.4	-178.5	0	113	N641 A642 I643	N641-K645 WeakPolarHBondContact O-CG 3.42Å; N641-K645 PolarHBondContact O-N 3.14Å; A642-K645 WeakPolarHBondContact O-CB 3.44Å; A642-K645 PolarHBondContact O-N 3.47Å; I643-K645 PolarHBondContact O-N 3.09Å
646	S	97.3	Very high	97.6	Very high	77 Å²	77	43.9 Å²	43.9	54%	0.538	23%	0.23	S	C	.	.	S	Bend	trans	-101.5	-8.4	-173.5	-56.4	0	0	0	0	113.5	I643 G644	I643-S646 PolarHBondContact O-N 3.44Å; G644-S646 VanDerWaalsContact C-N 3.28Å
647	M	97.5	Very high	97.6	Very high	16 Å²	16	45 Å²	45	8%	0.079	23%	0.234	C	C	.	.	S	Bend	trans	-158.7	152.6	-177.7	68	-163	76.6	0	0	111.1	V521 V541 I542 A545 M618 I643 G644 F649	V521-M647 HydrophobicContact CG1-CB 4.14Å; V521-M647 HydrophobicContact CG2-CG 4.43Å; V521-M647 HydrophobicContact CG2-SD 3.64Å; V541-M647 HydrophobicContact CG1-CB 4.18Å; V541-M647 HydrophobicContact CG1-CE 4.13Å; V541-M647 HydrophobicContact CG1-SD 4.45Å; I542-M647 HydrophobicContact CG1-CE 4.31Å; I542-M647 HydrophobicContact CG1-SD 4.14Å; A545-M647 HydrophobicContact CB-CE 3.56Å; M618-M647 HydrophobicContact CE-SD 3.58Å; M618-M647 VanDerWaalsContact CE-SD 3.58Å; M618-M647 HydrophobicContact SD-SD 4Å; I643-M647 HydrophobicContact CG2-CE 3.76Å; I643-M647 HydrophobicContact CG2-SD 4.04Å; G644-M647 CarbonylContact C-O 3.57Å; M647-F649 HydrophobicContact CG-CD1 4.39Å; M647-F649 HydrophobicContact CG-CE1 3.97Å; M647-F649 HydrophobicContact SD-CE1 4.26Å
648	K	98.2	Very high	97.6	Very high	150 Å²	150	45.5 Å²	45.5	65%	0.652	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-90.4	133.5	174.2	-65	-179.9	-179.8	178.1	0	110.3	E522	E522-K648 HydrophobicContact CB-CB 4.41Å; E522-K648 HydrophobicContact CG-CB 4.03Å; E522-K648 PolarHBondContact N-O 2.88Å; E522-K648 WeakPolarHBondContact OE2-CB 3.3Å; E522-K648 WeakPolarHBondContact OE2-CD 3.48Å
649	F	98.5	Very high	97.6	Very high	25 Å²	25	42.5 Å²	42.5	11%	0.11	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-87.2	134.3	174.7	-59.2	-41.6	0	0	0	110.4	R519 S520 M618 I640 I643 M647 H651 Y657	R519-F649 HydrophobicContact CB-CD1 3.92Å; R519-F649 HydrophobicContact CB-CE1 4.1Å; R519-F649 HydrophobicContact CB-CG 4.37Å; R519-F649 HydrophobicContact CG-CD1 4.2Å; R519-F649 HydrophobicContact CG-CD2 4.35Å; R519-F649 HydrophobicContact CG-CE1 4.24Å; R519-F649 HydrophobicContact CG-CE2 4.37Å; R519-F649 HydrophobicContact CG-CG 4.27Å; R519-F649 HydrophobicContact CG-CZ 4.31Å; S520-F649 CarbonylContact O-C 3.52Å; S520-F649 VanDerWaalsContact O-CA 3.24Å; S520-F649 WeakPolarHBondContact O-CA 3.25Å; M618-F649 HydrophobicContact CE-CD1 4.12Å; M618-F649 HydrophobicContact CE-CE1 3.59Å; I640-F649 HydrophobicContact CG2-CE2 3.88Å; I640-F649 HydrophobicContact CG2-CZ 4.5Å; I643-F649 HydrophobicContact CB-CZ 4.49Å; I643-F649 HydrophobicContact CG2-CE1 4.28Å; I643-F649 HydrophobicContact CG2-CZ 4.11Å; M647-F649 HydrophobicContact CG-CD1 4.39Å; M647-F649 HydrophobicContact CG-CE1 3.97Å; M647-F649 HydrophobicContact SD-CE1 4.26Å; F649-H651 PolarHBondContact O-N 3.38Å; F649-Y657 HydrophobicContact CB-CD1 4.02Å; F649-Y657 HydrophobicContact CB-CE1 3.86Å; F649-Y657 AromaticContact CD2-CE1 4Å; F649-Y657 HydrophobicContact CD2-CE1 4Å; F649-Y657 HydrophobicContact CG-CE1 4.37Å
650	A	98.3	Very high	97.6	Very high	6 Å²	6	42.5 Å²	42.5	5%	0.05	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-62.7	122.5	175.4	0	0	0	0	0	110.3	A460 S520 E522 I658	A460-A650 HydrophobicContact CB-CB 4.26Å; S520-A650 PolarHBondContact O-N 3.11Å; E522-A650 HydrophobicContact CG-CB 4.37Å; A650-I658 HydrophobicContact CB-CB 4.15Å; A650-I658 HydrophobicContact CB-CD1 4.39Å; A650-I658 PolarHBondContact O-N 3.21Å
651	H	98.2	Very high	97.6	Very high	66 Å²	66	42.5 Å²	42.5	31%	0.306	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	146.9	-175.5	-174.1	-81.9	0	0	0	110.3	F649 G656 Y657	F649-H651 PolarHBondContact O-N 3.38Å; H651-G656 CarbonylContact C-O 3.58Å; H651-G656 WeakPolarHBondContact CA-O 3.36Å; H651-G656 WeakPolarHBondContact NE2-CA 3.29Å; H651-Y657 HydrophobicContact CB-CD1 4.49Å; H651-Y657 AromaticContact CD2-CD1 3.95Å; H651-Y657 PolarHBondContact CD2-N 3.24Å
652	S	96.2	Very high	97.6	Very high	30 Å²	30	39 Å²	39	21%	0.21	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.6	173.9	66.4	0	0	0	0	111.3	K654 Y655 G656	S652-K654 PolarHBondContact O-N 2.82Å; S652-Y655 WeakPolarHBondContact OG-CA 3.41Å; S652-Y655 WeakPolarHBondContact OG-CB 3.36Å; S652-Y655 PolarHBondContact OG-N 3.46Å; S652-G656 PolarHBondContact N-O 3.48Å; S652-G656 VanDerWaalsContact O-CA 3.3Å; S652-G656 WeakPolarHBondContact O-CA 3.16Å; S652-G656 PolarHBondContact O-N 3.34Å; S652-G656 PolarHBondContact OG-O 2.99Å
653	D	94.4	Very high	97.5	Very high	104 Å²	104	38.4 Å²	38.4	56%	0.556	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.2	173.3	-85	19.9	0	0	0	112.7	K486 H487	K486-D653 CarbonylContact C-O 3.45Å; K486-D653 WeakPolarHBondContact CA-O 3.5Å; K486-D653 HydrophobicContact CD-CB 4.48Å; K486-D653 IonicContact NZ-OD2 3.8Å; K486-D653 PolarHBondContact NZ-OD2 3.09Å; H487-D653 PolarHBondContact N-O 2.97Å
654	K	94.3	Very high	97.5	Very high	58 Å²	58	39 Å²	39	25%	0.252	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-43.8	-174.6	-167.2	170.5	-179.7	-179.6	0	112.2	D471 S652	D471-K654 WeakPolarHBondContact OD1-CE 3.49Å; D471-K654 IonicContact OD1-NZ 3.26Å; D471-K654 PolarHBondContact OD1-NZ 3.23Å; D471-K654 IonicContact OD2-NZ 3.74Å; D471-K654 PolarHBondContact OD2-NZ 3.04Å; S652-K654 PolarHBondContact O-N 2.82Å
655	Y	96.2	Very high	97.5	Very high	9 Å²	9	37.7 Å²	37.7	4%	0.035	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	3.2	-170.2	-51	-57.2	0	0	0	114.6	Y463 D471 I474 S652 L665 G666 L721	Y463-Y655 HydrophobicContact CD1-CD2 4.2Å; Y463-Y655 HydrophobicContact CD1-CE2 4.27Å; Y463-Y655 HydrophobicContact CG-CD2 4.43Å; D471-Y655 WeakPolarHBondContact CB-OH 3.35Å; D471-Y655 VanDerWaalsContact CG-OH 3.29Å; D471-Y655 WeakPolarHBondContact OD1-CE1 3.25Å; D471-Y655 PolarHBondContact OD1-OH 2.71Å; I474-Y655 HydrophobicContact CB-CE1 4.41Å; I474-Y655 HydrophobicContact CD1-CD1 4.04Å; I474-Y655 HydrophobicContact CD1-CE1 3.7Å; I474-Y655 HydrophobicContact CD1-CE2 4.29Å; I474-Y655 HydrophobicContact CD1-CG 4.46Å; I474-Y655 HydrophobicContact CG2-CD1 3.94Å; I474-Y655 HydrophobicContact CG2-CE1 3.92Å; S652-Y655 WeakPolarHBondContact OG-CA 3.41Å; S652-Y655 WeakPolarHBondContact OG-CB 3.36Å; S652-Y655 PolarHBondContact OG-N 3.46Å; Y655-L665 HydrophobicContact CD1-CD1 4.49Å; Y655-L665 HydrophobicContact CG-CD1 4.29Å; Y655-G666 WeakPolarHBondContact O-CA 3.42Å; Y655-G666 PolarHBondContact O-N 2.82Å; Y655-L721 WeakPolarHBondContact O-CD1 3.24Å
656	G	97.5	Very high	97.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.9	-142.7	-176.1	0	0	0	0	0	112.3	H487 H651 S652 I658	H487-G656 WeakPolarHBondContact CD2-CA 3.44Å; H651-G656 CarbonylContact C-O 3.58Å; H651-G656 WeakPolarHBondContact CA-O 3.36Å; H651-G656 WeakPolarHBondContact NE2-CA 3.29Å; S652-G656 PolarHBondContact N-O 3.48Å; S652-G656 VanDerWaalsContact O-CA 3.3Å; S652-G656 WeakPolarHBondContact O-CA 3.16Å; S652-G656 PolarHBondContact O-N 3.34Å; S652-G656 PolarHBondContact OG-O 2.99Å; G656-I658 PolarHBondContact O-N 3.22Å
657	Y	98.6	Very high	97.5	Very high	22 Å²	22	25.3 Å²	25.3	9%	0.086	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	132.4	174.8	-69.4	-76	0	0	0	111.3	P490 R519 F649 H651 G666	P490-Y657 HydrophobicContact CB-CE2 4.15Å; P490-Y657 HydrophobicContact CG-CE2 3.81Å; P490-Y657 VanDerWaalsContact CG-OH 3.27Å; P490-Y657 WeakPolarHBondContact CG-OH 3.45Å; R519-Y657 VanDerWaalsContact NH2-CD2 3.33Å; F649-Y657 HydrophobicContact CB-CD1 4.02Å; F649-Y657 HydrophobicContact CB-CE1 3.86Å; F649-Y657 AromaticContact CD2-CE1 4Å; F649-Y657 HydrophobicContact CD2-CE1 4Å; F649-Y657 HydrophobicContact CG-CE1 4.37Å; H651-Y657 HydrophobicContact CB-CD1 4.49Å; H651-Y657 AromaticContact CD2-CD1 3.95Å; H651-Y657 PolarHBondContact CD2-N 3.24Å; Y657-G666 WeakPolarHBondContact CB-O 3.22Å; Y657-G666 WeakPolarHBondContact CD2-O 3.39Å; Y657-G666 PolarHBondContact N-O 2.86Å; Y657-G666 PolarHBondContact O-N 2.89Å
658	I	98.7	Very high	97.6	Very high	13 Å²	13	24.6 Å²	24.6	7%	0.067	12%	0.12	C	C	.	.			trans	-92.9	133.5	-175.6	-52.6	175.4	0	0	0	109.8	A460 Y463 S520 F526 A650 G656 L665	A460-I658 HydrophobicContact CB-CB 4.46Å; A460-I658 HydrophobicContact CB-CD1 3.87Å; A460-I658 HydrophobicContact CB-CG2 3.95Å; Y463-I658 HydrophobicContact CD2-CG2 3.5Å; Y463-I658 VanDerWaalsContact CD2-CG2 3.5Å; Y463-I658 HydrophobicContact CE2-CG2 3.47Å; Y463-I658 VanDerWaalsContact CE2-CG2 3.47Å; S520-I658 VanDerWaalsContact CB-O 3.31Å; S520-I658 WeakPolarHBondContact CB-O 3.49Å; S520-I658 PolarHBondContact OG-O 3.46Å; F526-I658 HydrophobicContact CE2-CG2 4.47Å; F526-I658 HydrophobicContact CZ-CG2 3.98Å; A650-I658 HydrophobicContact CB-CB 4.15Å; A650-I658 HydrophobicContact CB-CD1 4.39Å; A650-I658 PolarHBondContact O-N 3.21Å; G656-I658 PolarHBondContact O-N 3.22Å; I658-L665 HydrophobicContact CG2-CD2 4.45Å
659	T	98.7	Very high	97.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.			trans	-130.4	168.4	-179.4	52.2	0	0	0	0	111.4	Y463 F526 D616 C661 N664 L665 S668	Y463-T659 WeakPolarHBondContact CE2-O 3.45Å; Y463-T659 PolarHBondContact OH-O 2.63Å; F526-T659 WeakPolarHBondContact CE2-O 3.46Å; D616-T659 VanDerWaalsContact OD1-CB 3.28Å; D616-T659 WeakPolarHBondContact OD1-CB 3.32Å; T659-C661 PolarHBondContact OG1-O 2.76Å; T659-N664 HydrophobicContact CG2-CB 4.13Å; T659-N664 WeakPolarHBondContact CG2-O 3.25Å; T659-N664 PolarHBondContact OG1-O 2.81Å; T659-L665 PolarHBondContact OG1-N 3Å; T659-S668 WeakPolarHBondContact CG2-OG 3.49Å
660	C	98.6	Very high	97.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-61.1	-50.5	176.3	172.5	0	0	0	0	112.4	T457 F526 T528 E615 D616	T457-C660 PolarHBondContact N-O 2.78Å; T457-C660 PolarHBondContact OG1-O 2.96Å; F526-C660 HydrophobicContact CD2-CB 4.05Å; F526-C660 HydrophobicContact CG-CB 4.49Å; T528-C660 WeakPolarHBondContact CG2-SG 3.42Å; E615-C660 HydrophobicContact CG-CB 4.23Å; E615-C660 VanDerWaalsContact O-CB 3.22Å; E615-C660 WeakPolarHBondContact O-CB 3.49Å; D616-C660 WeakPolarHBondContact OD1-CB 3.16Å; D616-C660 PolarHBondContact OD1-N 2.88Å
661	C	98.3	Very high	97.5	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.007	8%	0.083	C	C	.	.	S	Bend	trans	-89.9	131.7	177.5	-170.6	0	0	0	0	111.2	R456 T659 S663 N664	R456-C661 PolarHBondContact NH1-SG 3.03Å; R456-C661 VanDerWaalsContact NH1-SG 3.45Å; T659-C661 PolarHBondContact OG1-O 2.76Å; C661-S663 PolarHBondContact O-N 2.88Å; C661-S663 PolarHBondContact SG-OG 3.32Å; C661-N664 PolarHBondContact O-N 3.25Å; C661-N664 VanDerWaalsContact O-N 3.07Å
662	P	98.1	Very high	97.5	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-58.8	-19.4	174.7	-25	34.5	0	0	0	114.9	P455 Y463 L470 L473 I474 H478 N664 L665	P455-P662 HydrophobicContact CG-CG 3.92Å; P455-P662 WeakPolarHBondContact O-CD 3.14Å; Y463-P662 HydrophobicContact CE1-CB 4.37Å; Y463-P662 HydrophobicContact CE1-CG 4.23Å; L470-P662 HydrophobicContact CD2-CG 3.95Å; L473-P662 HydrophobicContact CD2-CB 3.91Å; L473-P662 HydrophobicContact CD2-CG 4.19Å; I474-P662 HydrophobicContact CG1-CB 3.92Å; H478-P662 PolarHBondContact NE2-O 3.25Å; P662-N664 PolarHBondContact O-N 3.36Å; P662-L665 HydrophobicContact CB-CD1 4.24Å; P662-L665 WeakPolarHBondContact O-CD1 3.45Å; P662-L665 WeakPolarHBondContact O-CG 3.15Å
663	S	96.4	Very high	97.6	Very high	17 Å²	17	12.1 Å²	12.1	12%	0.119	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-69.8	-19.3	176.4	67.2	0	0	0	0	114	Y477 H478 C661	Y477-S663 WeakPolarHBondContact OH-CB 3.43Å; H478-S663 PolarHBondContact CE1-O 2.83Å; H478-S663 VanDerWaalsContact CE1-O 3.31Å; C661-S663 PolarHBondContact O-N 2.88Å; C661-S663 PolarHBondContact SG-OG 3.32Å
664	N	97.7	Very high	97.6	Very high	14 Å²	14	8.6 Å²	8.6	8%	0.075	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-107.8	18.4	-175.7	-69.6	-43.9	0	0	0	113.2	T659 C661 P662 S668	T659-N664 HydrophobicContact CG2-CB 4.13Å; T659-N664 WeakPolarHBondContact CG2-O 3.25Å; T659-N664 PolarHBondContact OG1-O 2.81Å; C661-N664 PolarHBondContact O-N 3.25Å; C661-N664 VanDerWaalsContact O-N 3.07Å; P662-N664 PolarHBondContact O-N 3.36Å; N664-S668 WeakPolarHBondContact O-CA 3.43Å; N664-S668 WeakPolarHBondContact O-CB 3.38Å; N664-S668 PolarHBondContact O-OG 3.12Å
665	L	97.9	Very high	97.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.			trans	-69.7	178	174.3	-63.5	171.8	0	0	0	112.7	Y463 I474 Y655 I658 T659 P662 T667 S668 R720	Y463-L665 HydrophobicContact CD1-CD1 4.29Å; Y463-L665 HydrophobicContact CE1-CD1 3.65Å; Y463-L665 HydrophobicContact CE1-CD2 4.03Å; Y463-L665 HydrophobicContact CE1-CG 4.35Å; Y463-L665 HydrophobicContact CE2-CD2 4.31Å; I474-L665 HydrophobicContact CD1-CD1 3.59Å; I474-L665 HydrophobicContact CG1-CD1 3.81Å; I474-L665 HydrophobicContact CG2-CD1 4.26Å; Y655-L665 HydrophobicContact CD1-CD1 4.49Å; Y655-L665 HydrophobicContact CG-CD1 4.29Å; I658-L665 HydrophobicContact CG2-CD2 4.45Å; T659-L665 PolarHBondContact OG1-N 3Å; P662-L665 HydrophobicContact CB-CD1 4.24Å; P662-L665 WeakPolarHBondContact O-CD1 3.45Å; P662-L665 WeakPolarHBondContact O-CG 3.15Å; L665-T667 PolarHBondContact O-N 3.15Å; L665-S668 PolarHBondContact O-N 3.32Å; L665-R720 CarbonylContact O-C 3.33Å; L665-R720 VanDerWaalsContact O-CB 3.28Å; L665-R720 WeakPolarHBondContact O-CB 3.28Å
666	G	97.6	Very high	97.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	78.9	-118.2	176	0	0	0	0	0	111.2	H487 Y655 Y657 S668	H487-G666 VanDerWaalsContact CE1-CA 3.4Å; H487-G666 WeakPolarHBondContact CE1-CA 3.42Å; H487-G666 WeakPolarHBondContact NE2-CA 3.18Å; Y655-G666 WeakPolarHBondContact O-CA 3.42Å; Y655-G666 PolarHBondContact O-N 2.82Å; Y657-G666 WeakPolarHBondContact CB-O 3.22Å; Y657-G666 WeakPolarHBondContact CD2-O 3.39Å; Y657-G666 PolarHBondContact N-O 2.86Å; Y657-G666 PolarHBondContact O-N 2.89Å; G666-S668 PolarHBondContact O-N 2.95Å
667	T	98	Very high	97.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-27.6	171.2	58.5	0	0	0	0	112	H487 R519 L665 M669 R720 L723 T724 E725	H487-T667 PolarHBondContact NE2-N 3.44Å; R519-T667 PolarHBondContact NH1-O 3.22Å; L665-T667 PolarHBondContact O-N 3.15Å; T667-M669 PolarHBondContact O-N 2.65Å; T667-M669 VanDerWaalsContact O-N 3.13Å; T667-M669 PolarHBondContact OG1-N 2.76Å; T667-R720 WeakPolarHBondContact CG2-O 3.36Å; T667-R720 PolarHBondContact N-O 3Å; T667-R720 PolarHBondContact OG1-O 2.83Å; T667-L723 HydrophobicContact CG2-CD2 4.46Å; T667-L723 VanDerWaalsContact CG2-O 3.25Å; T667-L723 WeakPolarHBondContact CG2-O 3.43Å; T667-T724 VanDerWaalsContact CG2-C 3.49Å; T667-E725 HydrophobicContact CG2-CB 4.49Å; T667-E725 HydrophobicContact CG2-CG 3.95Å
668	S	98.4	Very high	97.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.067	C	C	.	.			trans	55.1	14.8	-162.1	-154.9	0	0	0	0	114	V517 G518 T659 N664 L665 G666	V517-S668 WeakPolarHBondContact CA-O 3.45Å; G518-S668 VanDerWaalsContact CA-OG 3.31Å; G518-S668 WeakPolarHBondContact CA-OG 3.31Å; G518-S668 PolarHBondContact N-OG 2.81Å; G518-S668 WeakPolarHBondContact O-CB 3.48Å; G518-S668 PolarHBondContact O-OG 3.07Å; T659-S668 WeakPolarHBondContact CG2-OG 3.49Å; N664-S668 WeakPolarHBondContact O-CA 3.43Å; N664-S668 WeakPolarHBondContact O-CB 3.38Å; N664-S668 PolarHBondContact O-OG 3.12Å; L665-S668 PolarHBondContact O-N 3.32Å; G666-S668 PolarHBondContact O-N 2.95Å
669	M	98.5	Very high	97.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121	-166.9	-176.3	173.5	-75.3	0	0	112.3	V515 R516 V517 Y633 L636 I637 T667 N717 R720 E725 A729	V515-M669 HydrophobicContact CG1-CE 4.26Å; V515-M669 HydrophobicContact CG1-CG 3.79Å; V515-M669 HydrophobicContact CG1-SD 3.89Å; R516-M669 WeakPolarHBondContact O-CA 3.28Å; V517-M669 HydrophobicContact CG1-CB 4.01Å; V517-M669 HydrophobicContact CG1-CE 3.98Å; V517-M669 HydrophobicContact CG1-CG 4.29Å; Y633-M669 HydrophobicContact CD2-SD 4.38Å; Y633-M669 HydrophobicContact CE2-CE 3.77Å; Y633-M669 HydrophobicContact CE2-SD 3.72Å; L636-M669 HydrophobicContact CD2-CE 4.17Å; I637-M669 HydrophobicContact CD1-CE 4.16Å; T667-M669 PolarHBondContact O-N 2.65Å; T667-M669 VanDerWaalsContact O-N 3.13Å; T667-M669 PolarHBondContact OG1-N 2.76Å; M669-N717 PolarHBondContact O-ND2 3.05Å; M669-R720 WeakPolarHBondContact O-CD 3.39Å; M669-R720 PolarHBondContact O-NE 3.41Å; M669-R720 PolarHBondContact O-NH1 3.34Å; M669-E725 HydrophobicContact CE-CB 3.64Å; M669-E725 HydrophobicContact CE-CG 3.72Å; M669-E725 HydrophobicContact SD-CB 4.05Å; M669-E725 HydrophobicContact SD-CG 4.45Å; M669-A729 HydrophobicContact SD-CB 4.49Å
670	R	97.8	Very high	96.9	Very high	9 Å²	9	16.6 Å²	16.6	3%	0.034	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	104.2	165.3	-176.8	178.5	-170.6	-97.8	6.5	109.3	V515 R516 S672 D714 S716 N717	V515-R670 WeakPolarHBondContact CA-O 3.43Å; R516-R670 HydrophobicContact CG-CB 4.12Å; R516-R670 PolarHBondContact N-O 3.28Å; R516-R670 PolarHBondContact O-N 3.24Å; R670-S672 PolarHBondContact NH1-OG 3.08Å; R670-D714 IonicContact CZ-OD1 2.6Å; R670-D714 IonicContact CZ-OD2 3.77Å; R670-D714 IonicContact NH1-OD1 3.83Å; R670-D714 PolarHBondContact NH1-OD1 3.33Å; R670-D714 IonicContact NH1-OD2 3.79Å; R670-D714 PolarHBondContact NH1-OD2 2.92Å; R670-D714 IonicContact NH2-OD1 2.65Å; R670-D714 PolarHBondContact NH2-OD1 2.64Å; R670-D714 IonicContact NH2-OD2 2.78Å; R670-D714 PolarHBondContact NH2-OD2 3.01Å; R670-S716 PolarHBondContact NE-OG 3.07Å; R670-S716 PolarHBondContact NH2-OG 3.42Å; R670-N717 WeakPolarHBondContact CA-OD1 3.4Å
671	A	98.1	Very high	96.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	134.3	164	0	0	0	0	0	108.6	V515 S716 N717 M732	V515-A671 HydrophobicContact CG1-CB 4.11Å; V515-A671 HydrophobicContact CG2-CB 3.98Å; A671-S716 WeakPolarHBondContact O-CA 3.32Å; A671-S716 VanDerWaalsContact O-CB 3.25Å; A671-S716 WeakPolarHBondContact O-CB 3.35Å; A671-N717 PolarHBondContact N-OD1 2.99Å; A671-N717 PolarHBondContact O-N 3.5Å; A671-N717 PolarHBondContact O-OD1 3.33Å; A671-N717 VanDerWaalsContact O-OD1 3.09Å; A671-M732 HydrophobicContact CB-CB 4.11Å; A671-M732 HydrophobicContact CB-CE 3.72Å; A671-M732 HydrophobicContact CB-CG 4.24Å
672	S	97.5	Very high	96.3	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.028	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	152.5	-175.1	50.4	0	0	0	0	112.5	R514 R670 D714 I715	R514-S672 PolarHBondContact N-O 2.89Å; R514-S672 PolarHBondContact O-N 2.81Å; R514-S672 PolarHBondContact O-OG 3.45Å; R514-S672 VanDerWaalsContact O-OG 3.09Å; R670-S672 PolarHBondContact NH1-OG 3.08Å; S672-D714 WeakPolarHBondContact CB-OD1 3.43Å; S672-I715 CarbonylContact C-O 3.51Å; S672-I715 WeakPolarHBondContact CA-O 3.17Å
673	V	97.4	Very high	96.1	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.018	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148	170.4	-65.9	0	0	0	0	109.7	I510 S512 T513 L675 D714 I715 M732 V736	I510-V673 HydrophobicContact CD1-CG1 4.2Å; I510-V673 HydrophobicContact CG2-CB 4.02Å; I510-V673 HydrophobicContact CG2-CG1 4.12Å; S512-V673 WeakPolarHBondContact O-CA 3.47Å; T513-V673 HydrophobicContact CG2-CG1 4.05Å; V673-L675 HydrophobicContact CG2-CB 4.09Å; V673-D714 WeakPolarHBondContact O-CA 3.38Å; V673-I715 HydrophobicContact CG2-CB 4.09Å; V673-I715 PolarHBondContact N-O 3.42Å; V673-I715 PolarHBondContact O-N 3.46Å; V673-M732 HydrophobicContact CG1-CE 4.08Å; V673-M732 HydrophobicContact CG1-SD 4.02Å; V673-M732 HydrophobicContact CG2-SD 4.39Å; V673-V736 HydrophobicContact CG2-CB 4.38Å; V673-V736 HydrophobicContact CG2-CG1 3.93Å; V673-V736 HydrophobicContact CG2-CG2 3.51Å
674	L	95.2	Very high	95.8	Very high	29 Å²	29	28.3 Å²	28.3	15%	0.152	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	102.1	166.7	-170.5	65.3	0	0	0	108.5	V511 S512 L701 T712	V511-L674 HydrophobicContact CB-CB 4.19Å; V511-L674 HydrophobicContact CB-CD2 4.05Å; V511-L674 HydrophobicContact CB-CG 4.27Å; V511-L674 HydrophobicContact CG1-CD2 4.15Å; V511-L674 HydrophobicContact CG2-CD2 4.4Å; V511-L674 HydrophobicContact CG2-CG 4.49Å; V511-L674 PolarHBondContact N-O 3.47Å; S512-L674 PolarHBondContact O-N 3.07Å; L674-L701 HydrophobicContact CD1-CD1 3.82Å; L674-L701 HydrophobicContact CD2-CD1 3.76Å; L674-L701 HydrophobicContact CG-CD1 4.32Å; L674-T712 HydrophobicContact CD1-CG2 3.63Å; L674-T712 HydrophobicContact CD2-CG2 4.19Å; L674-T712 HydrophobicContact CG-CG2 3.57Å
675	L	96.4	Very high	95.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.1	-165.1	-172.1	69.3	0	0	0	111.7	F509 I510 V673 I677 T712 Y713 I715 V736 M739 I740	F509-L675 HydrophobicContact CB-CD1 3.94Å; I510-L675 HydrophobicContact CG1-CD1 3.7Å; V673-L675 HydrophobicContact CG2-CB 4.09Å; L675-I677 HydrophobicContact CD2-CD1 4.42Å; L675-I677 HydrophobicContact CD2-CG1 4.47Å; L675-I677 HydrophobicContact CD2-CG2 3.69Å; L675-I677 HydrophobicContact CG-CG2 3.8Å; L675-T712 CarbonylContact O-C 3.55Å; L675-T712 WeakPolarHBondContact O-CA 3.11Å; L675-Y713 PolarHBondContact N-O 2.91Å; L675-Y713 PolarHBondContact O-N 2.99Å; L675-I715 HydrophobicContact CB-CG1 3.98Å; L675-I715 HydrophobicContact CD2-CG1 3.92Å; L675-V736 HydrophobicContact CD1-CG1 4.23Å; L675-V736 HydrophobicContact CD2-CG1 4.46Å; L675-M739 HydrophobicContact CD2-CB 3.94Å; L675-M739 HydrophobicContact CD2-SD 4Å; L675-I740 HydrophobicContact CD1-CD1 3.97Å; L675-I740 HydrophobicContact CD1-CG1 3.79Å
676	K	95.8	Very high	95.4	Very high	98 Å²	98	40 Å²	40	43%	0.426	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	106.3	172.1	-68	173.4	171.4	172.4	0	109.8	F509 V511 P678 T712	F509-K676 WeakPolarHBondContact O-CB 3.36Å; F509-K676 PolarHBondContact O-N 2.92Å; V511-K676 HydrophobicContact CG2-CD 4.03Å; V511-K676 VanDerWaalsContact CG2-CE 3.44Å; V511-K676 HydrophobicContact CG2-CG 4.07Å; K676-P678 VanDerWaalsContact C-CD 3.47Å; K676-T712 HydrophobicContact CG-CG2 4.37Å
677	I	94.7	Very high	95.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.			trans	-133.7	56.9	179.2	45.5	162.2	0	0	0	111	L675 K679 L680 S681 L687 G711 Y713 E743	L675-I677 HydrophobicContact CD2-CD1 4.42Å; L675-I677 HydrophobicContact CD2-CG1 4.47Å; L675-I677 HydrophobicContact CD2-CG2 3.69Å; L675-I677 HydrophobicContact CG-CG2 3.8Å; I677-K679 PolarHBondContact O-N 3.5Å; I677-L680 HydrophobicContact CB-CB 4.23Å; I677-L680 HydrophobicContact CD1-CD2 4.21Å; I677-L680 PolarHBondContact O-N 2.81Å; I677-S681 WeakPolarHBondContact O-CB 3.35Å; I677-S681 PolarHBondContact O-N 3.06Å; I677-S681 PolarHBondContact O-OG 2.84Å; I677-S681 VanDerWaalsContact O-OG 3.07Å; I677-L687 HydrophobicContact CD1-CD1 3.65Å; I677-L687 HydrophobicContact CD1-CD2 4.23Å; I677-G711 CarbonylContact C-O 3.56Å; I677-G711 PolarHBondContact N-O 3.15Å; I677-Y713 HydrophobicContact CD1-CD2 4.29Å; I677-Y713 HydrophobicContact CG1-CD2 4.24Å; I677-E743 VanDerWaalsContact CA-CD 3.5Å; I677-E743 WeakPolarHBondContact CA-OE2 3.42Å; I677-E743 HydrophobicContact CB-CG 4.47Å; I677-E743 HydrophobicContact CG2-CB 4.05Å; I677-E743 HydrophobicContact CG2-CG 4.06Å
678	P	93.5	Very high	95	Very high	74 Å²	74	45 Å²	45	48%	0.481	23%	0.233	S	C	.	.	H	α-helix	trans	-55.9	-37.2	-175.7	23.7	-34.6	0	0	0	112.7	K676 S681 S682 E743	K676-P678 VanDerWaalsContact C-CD 3.47Å; P678-S681 WeakPolarHBondContact CA-OG 3.42Å; P678-S681 PolarHBondContact O-OG 3.2Å; P678-S682 PolarHBondContact O-N 2.95Å; P678-E743 WeakPolarHBondContact CD-OE1 3.18Å; P678-E743 WeakPolarHBondContact CG-OE1 3.31Å
679	K	95.3	Very high	94.8	Very high	98 Å²	98	51.5 Å²	51.5	43%	0.426	26%	0.263	S	S	.	.	H	α-helix	trans	-74.6	-48.6	-179	-56.3	-177.7	-177.9	-171.2	0	111.9	I677 S681 S682 E743 L746	I677-K679 PolarHBondContact O-N 3.5Å; K679-S681 VanDerWaalsContact C-N 3.3Å; K679-S681 PolarHBondContact O-N 3.28Å; K679-S682 WeakPolarHBondContact O-CB 3.33Å; K679-S682 PolarHBondContact O-N 2.93Å; K679-S682 PolarHBondContact O-OG 3.49Å; K679-E743 VanDerWaalsContact CB-OE1 3.29Å; K679-E743 WeakPolarHBondContact CB-OE1 3.42Å; K679-E743 VanDerWaalsContact CG-OE1 3.31Å; K679-E743 WeakPolarHBondContact CG-OE1 3.48Å; K679-E743 PolarHBondContact N-OE1 3.35Å; K679-E743 PolarHBondContact N-OE2 3.06Å; K679-L746 HydrophobicContact CB-CB 3.78Å; K679-L746 HydrophobicContact CB-CD1 4.05Å; K679-L746 HydrophobicContact CD-CB 3.77Å; K679-L746 VanDerWaalsContact CD-O 3.31Å; K679-L746 WeakPolarHBondContact CD-O 3.42Å; K679-L746 VanDerWaalsContact CD-OXT 3.27Å; K679-L746 WeakPolarHBondContact CD-OXT 3.2Å; K679-L746 HydrophobicContact CG-CB 4.46Å; K679-L746 PolarHBondContact NZ-O 2.58Å; K679-L746 PolarHBondContact NZ-OXT 2.85Å
680	L	94.2	Very high	94.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.6	-34.8	178	178.1	61	0	0	0	111.7	I677 S682 Q683 K686 L687 I690 M739 I742 E743 L746	I677-L680 HydrophobicContact CB-CB 4.23Å; I677-L680 HydrophobicContact CD1-CD2 4.21Å; I677-L680 PolarHBondContact O-N 2.81Å; L680-S682 PolarHBondContact O-N 3.49Å; L680-Q683 CarbonylContact O-C 3.48Å; L680-Q683 WeakPolarHBondContact O-CA 3.38Å; L680-Q683 PolarHBondContact O-N 2.76Å; L680-K686 HydrophobicContact CD1-CB 4.21Å; L680-K686 HydrophobicContact CD1-CD 4.06Å; L680-K686 HydrophobicContact CD1-CG 4Å; L680-L687 HydrophobicContact CD2-CD1 3.93Å; L680-L687 HydrophobicContact CG-CB 4.27Å; L680-L687 HydrophobicContact CG-CD1 4.24Å; L680-I690 HydrophobicContact CD1-CD1 3.82Å; L680-I690 HydrophobicContact CD2-CD1 3.71Å; L680-I690 HydrophobicContact CG-CD1 4.39Å; L680-M739 HydrophobicContact CD2-CB 4.29Å; L680-M739 HydrophobicContact CD2-CG 4.13Å; L680-I742 HydrophobicContact CD1-CG2 4.1Å; L680-E743 WeakPolarHBondContact CB-OE2 3.48Å; L680-E743 PolarHBondContact N-OE2 3Å; L680-L746 HydrophobicContact CB-CD1 4.22Å
681	S	92.3	Very high	94.5	Very high	23 Å²	23	52.1 Å²	52.1	16%	0.161	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-25.5	176.3	71.5	0	0	0	0	113.5	I677 P678 K679 Q683 G711	I677-S681 WeakPolarHBondContact O-CB 3.35Å; I677-S681 PolarHBondContact O-N 3.06Å; I677-S681 PolarHBondContact O-OG 2.84Å; I677-S681 VanDerWaalsContact O-OG 3.07Å; P678-S681 WeakPolarHBondContact CA-OG 3.42Å; P678-S681 PolarHBondContact O-OG 3.2Å; K679-S681 VanDerWaalsContact C-N 3.3Å; K679-S681 PolarHBondContact O-N 3.28Å; S681-Q683 PolarHBondContact O-N 3.29Å; S681-G711 WeakPolarHBondContact OG-CA 3.38Å
682	S	91.9	Very high	94.3	Very high	88 Å²	88	55.3 Å²	55.3	62%	0.615	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-11	170.3	78.4	0	0	0	0	113.3	P678 K679 L680 P684	P678-S682 PolarHBondContact O-N 2.95Å; K679-S682 WeakPolarHBondContact O-CB 3.33Å; K679-S682 PolarHBondContact O-N 2.93Å; K679-S682 PolarHBondContact O-OG 3.49Å; L680-S682 PolarHBondContact O-N 3.49Å; S682-P684 VanDerWaalsContact C-CD 3.46Å; S682-P684 WeakPolarHBondContact O-CD 3.47Å
683	Q	92.8	Very high	94.2	Very high	80 Å²	80	62.6 Å²	62.6	37%	0.374	33%	0.325	S	S	.	.	S	Bend	trans	-119	68.4	175.4	-60.7	-179.4	27	0	0	110.4	L680 S681 K685 K686 L687	L680-Q683 CarbonylContact O-C 3.48Å; L680-Q683 WeakPolarHBondContact O-CA 3.38Å; L680-Q683 PolarHBondContact O-N 2.76Å; S681-Q683 PolarHBondContact O-N 3.29Å; Q683-K685 VanDerWaalsContact C-N 3.29Å; Q683-K685 PolarHBondContact O-N 3.2Å; Q683-K685 VanDerWaalsContact O-N 3.15Å; Q683-K686 HydrophobicContact CB-CB 3.99Å; Q683-K686 WeakPolarHBondContact O-CA 3.33Å; Q683-K686 WeakPolarHBondContact O-CB 3.23Å; Q683-K686 PolarHBondContact O-N 3.4Å; Q683-K686 VanDerWaalsContact OE1-CD 3.26Å; Q683-L687 PolarHBondContact O-N 3.43Å; Q683-L687 VanDerWaalsContact O-N 3.09Å
684	P	89.8	Confident	94	Very high	75 Å²	75	64.9 Å²	64.9	49%	0.487	33%	0.334	S	S	.	.	H	α-helix	trans	-58.2	-36.2	-169.4	21.5	-33.7	0	0	0	113.7	S682 K686 L687 D688	S682-P684 VanDerWaalsContact C-CD 3.46Å; S682-P684 WeakPolarHBondContact O-CD 3.47Å; P684-K686 VanDerWaalsContact C-N 3.31Å; P684-K686 PolarHBondContact O-N 2.96Å; P684-L687 WeakPolarHBondContact O-CB 3.5Å; P684-L687 PolarHBondContact O-N 3.1Å; P684-D688 VanDerWaalsContact O-CG 3.32Å; P684-D688 PolarHBondContact O-N 3.35Å
685	K	93.5	Very high	94	Very high	184 Å²	184	67.8 Å²	67.8	80%	0.8	35%	0.348	S	S	*	.	H	α-helix	trans	-62.3	-37.1	175.6	-68	-175	178.7	-179.5	0	112.9	Q683 E689	Q683-K685 VanDerWaalsContact C-N 3.29Å; Q683-K685 PolarHBondContact O-N 3.2Å; Q683-K685 VanDerWaalsContact O-N 3.15Å; K685-E689 WeakPolarHBondContact O-CB 3.36Å; K685-E689 PolarHBondContact O-N 2.96Å
686	K	94.3	Very high	93.9	Very high	74 Å²	74	68.1 Å²	68.1	32%	0.322	35%	0.349	S	S	.	.	H	α-helix	trans	-72.5	-38.4	177.7	-170.2	177.7	-178.2	-179.8	0	110.6	L680 Q683 P684 E689 I690	L680-K686 HydrophobicContact CD1-CB 4.21Å; L680-K686 HydrophobicContact CD1-CD 4.06Å; L680-K686 HydrophobicContact CD1-CG 4Å; Q683-K686 HydrophobicContact CB-CB 3.99Å; Q683-K686 WeakPolarHBondContact O-CA 3.33Å; Q683-K686 WeakPolarHBondContact O-CB 3.23Å; Q683-K686 PolarHBondContact O-N 3.4Å; Q683-K686 VanDerWaalsContact OE1-CD 3.26Å; P684-K686 VanDerWaalsContact C-N 3.31Å; P684-K686 PolarHBondContact O-N 2.96Å; K686-E689 PolarHBondContact O-N 2.82Å; K686-I690 HydrophobicContact CG-CD1 4.33Å; K686-I690 WeakPolarHBondContact O-CD1 3.42Å; K686-I690 VanDerWaalsContact O-CG1 3.25Å; K686-I690 WeakPolarHBondContact O-CG1 3.17Å; K686-I690 PolarHBondContact O-N 2.87Å
687	L	93.8	Very high	93.7	Very high	4 Å²	4	66.8 Å²	66.8	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-59.5	-46.2	171.7	178.2	59.2	0	0	0	111.3	I677 L680 Q683 P684 I690 C691 Y713 M739	I677-L687 HydrophobicContact CD1-CD1 3.65Å; I677-L687 HydrophobicContact CD1-CD2 4.23Å; L680-L687 HydrophobicContact CD2-CD1 3.93Å; L680-L687 HydrophobicContact CG-CB 4.27Å; L680-L687 HydrophobicContact CG-CD1 4.24Å; Q683-L687 PolarHBondContact O-N 3.43Å; Q683-L687 VanDerWaalsContact O-N 3.09Å; P684-L687 WeakPolarHBondContact O-CB 3.5Å; P684-L687 PolarHBondContact O-N 3.1Å; L687-I690 PolarHBondContact O-N 2.94Å; L687-C691 PolarHBondContact O-N 2.88Å; L687-C691 PolarHBondContact O-SG 2.93Å; L687-Y713 HydrophobicContact CD2-CD1 4.39Å; L687-Y713 HydrophobicContact CD2-CE1 4.14Å; L687-Y713 HydrophobicContact CD2-CE2 4.31Å; L687-M739 HydrophobicContact CD1-CE 4.03Å; L687-M739 HydrophobicContact CD1-SD 4.18Å
688	D	92.9	Very high	93.5	Very high	102 Å²	102	68.1 Å²	68.1	55%	0.545	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-40.2	177.7	-72	-19.6	0	0	0	112.1	P684 C691 A692	P684-D688 VanDerWaalsContact O-CG 3.32Å; P684-D688 PolarHBondContact O-N 3.35Å; D688-C691 PolarHBondContact O-N 3.37Å; D688-A692 WeakPolarHBondContact O-CB 3.29Å; D688-A692 PolarHBondContact O-N 3.42Å
689	E	95.4	Very high	93.2	Very high	137 Å²	137	66.2 Å²	66.2	64%	0.64	34%	0.339	S	S	*	.	H	α-helix	trans	-61.2	-44.8	175.2	-173	-171.7	163.2	0	0	111.6	K685 K686 A692 K693	K685-E689 WeakPolarHBondContact O-CB 3.36Å; K685-E689 PolarHBondContact O-N 2.96Å; K686-E689 PolarHBondContact O-N 2.82Å; E689-A692 PolarHBondContact O-N 3.49Å; E689-K693 VanDerWaalsContact O-CB 3.31Å; E689-K693 WeakPolarHBondContact O-CB 3.45Å; E689-K693 PolarHBondContact O-N 3.17Å
690	I	94.7	Very high	92.4	Very high	13 Å²	13	61.8 Å²	61.8	7%	0.067	32%	0.321	C	S	.	.	H	α-helix	trans	-64.2	-44.1	176.5	-62.6	158.1	0	0	0	110.1	L680 K686 L687 A692 K693 Y694 M739 I742	L680-I690 HydrophobicContact CD1-CD1 3.82Å; L680-I690 HydrophobicContact CD2-CD1 3.71Å; L680-I690 HydrophobicContact CG-CD1 4.39Å; K686-I690 HydrophobicContact CG-CD1 4.33Å; K686-I690 WeakPolarHBondContact O-CD1 3.42Å; K686-I690 VanDerWaalsContact O-CG1 3.25Å; K686-I690 WeakPolarHBondContact O-CG1 3.17Å; K686-I690 PolarHBondContact O-N 2.87Å; L687-I690 PolarHBondContact O-N 2.94Å; I690-A692 PolarHBondContact O-N 2.63Å; I690-K693 PolarHBondContact O-N 2.81Å; I690-Y694 HydrophobicContact CG2-CD2 3.96Å; I690-Y694 HydrophobicContact CG2-CE2 4.34Å; I690-Y694 WeakPolarHBondContact O-CD2 3.46Å; I690-Y694 PolarHBondContact O-N 3.35Å; I690-M739 HydrophobicContact CB-CE 4.3Å; I690-M739 HydrophobicContact CG2-CE 3.69Å; I690-M739 HydrophobicContact CG2-CG 3.74Å; I690-I742 HydrophobicContact CD1-CD1 3.47Å; I690-I742 VanDerWaalsContact CD1-CD1 3.47Å; I690-I742 HydrophobicContact CG1-CD1 4.08Å
691	C	94.8	Very high	91.4	Very high	9 Å²	9	64.6 Å²	64.6	6%	0.061	34%	0.336	C	S	.	.	H	α-helix	trans	-59	-46.5	176.1	-70.3	0	0	0	0	111.4	L687 D688 M695 L696 M739	L687-C691 PolarHBondContact O-N 2.88Å; L687-C691 PolarHBondContact O-SG 2.93Å; D688-C691 PolarHBondContact O-N 3.37Å; C691-M695 CarbonylContact O-C 3.56Å; C691-M695 WeakPolarHBondContact O-CA 3.46Å; C691-M695 PolarHBondContact O-N 3.19Å; C691-L696 HydrophobicContact CB-CB 4.43Å; C691-L696 PolarHBondContact O-N 3.49Å; C691-M739 VanDerWaalsContact SG-CE 3.52Å
692	A	93.2	Very high	90.1	Very high	66 Å²	66	71.4 Å²	71.4	55%	0.545	36%	0.359	S	S	.	.	H	α-helix	trans	-62.7	-44.2	177.8	0	0	0	0	0	111.9	D688 E689 I690 Y694 M695	D688-A692 WeakPolarHBondContact O-CB 3.29Å; D688-A692 PolarHBondContact O-N 3.42Å; E689-A692 PolarHBondContact O-N 3.49Å; I690-A692 PolarHBondContact O-N 2.63Å; A692-Y694 PolarHBondContact O-N 3.29Å; A692-M695 PolarHBondContact O-N 3.02Å
693	K	95.4	Very high	88.7	Confident	157 Å²	157	67.8 Å²	67.8	68%	0.683	34%	0.336	S	S	*	.	H	α-helix	trans	-61.8	-43.2	-179.5	179.3	174.8	177.6	173.6	0	112.9	E689 I690	E689-K693 VanDerWaalsContact O-CB 3.31Å; E689-K693 WeakPolarHBondContact O-CB 3.45Å; E689-K693 PolarHBondContact O-N 3.17Å; I690-K693 PolarHBondContact O-N 2.81Å
694	Y	94.5	Very high	87	Confident	52 Å²	52	69.1 Å²	69.1	20%	0.204	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	10.7	-178.7	-73.1	-89.2	0	0	0	113.3	I690 A692 L696 E734 G735 K738	I690-Y694 HydrophobicContact CG2-CD2 3.96Å; I690-Y694 HydrophobicContact CG2-CE2 4.34Å; I690-Y694 WeakPolarHBondContact O-CD2 3.46Å; I690-Y694 PolarHBondContact O-N 3.35Å; A692-Y694 PolarHBondContact O-N 3.29Å; Y694-L696 WeakPolarHBondContact O-CD2 3.45Å; Y694-L696 PolarHBondContact O-N 3.32Å; Y694-E734 HydrophobicContact CD1-CB 4.28Å; Y694-E734 HydrophobicContact CE1-CB 4.11Å; Y694-G735 VanDerWaalsContact CD1-CA 3.46Å; Y694-K738 HydrophobicContact CE2-CB 4.03Å; Y694-K738 HydrophobicContact CE2-CG 3.97Å; Y694-K738 WeakPolarHBondContact OH-CG 3.29Å
695	M	93.8	Very high	85.5	Confident	90 Å²	90	74.4 Å²	74.4	44%	0.443	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	43.7	-177.8	-59.9	-67	-175.3	0	0	112.3	C691 A692 K718 R719	C691-M695 CarbonylContact O-C 3.56Å; C691-M695 WeakPolarHBondContact O-CA 3.46Å; C691-M695 PolarHBondContact O-N 3.19Å; A692-M695 PolarHBondContact O-N 3.02Å; M695-K718 WeakPolarHBondContact O-CA 3.39Å; M695-K718 WeakPolarHBondContact O-CB 3.31Å; M695-K718 PolarHBondContact O-N 3.4Å; M695-R719 HydrophobicContact CB-CG 4.14Å
696	L	95.1	Very high	84	Confident	7 Å²	7	68.1 Å²	68.1	4%	0.037	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	166.9	176.7	-52.9	-176.3	0	0	0	111.3	C691 Y694 I715 S716 N717 M732 M739	C691-L696 HydrophobicContact CB-CB 4.43Å; C691-L696 PolarHBondContact O-N 3.49Å; Y694-L696 WeakPolarHBondContact O-CD2 3.45Å; Y694-L696 PolarHBondContact O-N 3.32Å; L696-I715 HydrophobicContact CB-CG2 4.4Å; L696-I715 HydrophobicContact CD1-CG2 3.76Å; L696-S716 CarbonylContact C-O 3.58Å; L696-S716 WeakPolarHBondContact CA-O 3.33Å; L696-S716 WeakPolarHBondContact CB-O 3.41Å; L696-N717 HydrophobicContact CD2-CB 4.45Å; L696-M732 HydrophobicContact CD2-CB 4.45Å; L696-M739 HydrophobicContact CD1-CE 3.95Å
697	Q	91.8	Very high	83	Confident	70 Å²	70	72.7 Å²	72.7	33%	0.327	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129	170	-173.3	-177.4	-3.3	0	0	108.9	R699 S716	Q697-R699 VanDerWaalsContact CD-NE 3.28Å; Q697-R699 HydrophobicContact CG-CG 4.27Å; Q697-R699 VanDerWaalsContact NE2-NE 3.1Å; Q697-S716 PolarHBondContact N-O 3.32Å; Q697-S716 PolarHBondContact O-N 3.24Å; Q697-S716 PolarHBondContact O-OG 2.98Å
698	A	90.8	Very high	81.9	Confident	28 Å²	28	73.4 Å²	73.4	23%	0.231	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	137.5	171.3	0	0	0	0	0	110.7	Y713 D714 I715	A698-Y713 HydrophobicContact CB-CD1 3.92Å; A698-D714 CarbonylContact C-O 3.26Å; A698-D714 WeakPolarHBondContact CA-O 3.29Å; A698-I715 HydrophobicContact CB-CD1 3.52Å
699	R	86.5	Confident	80.9	Confident	34 Å²	34	73.3 Å²	73.3	13%	0.128	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	164.7	178.8	-57.2	175.5	-175.3	-172.3	-10.1	110.7	Q697 E704 Y713 D714	Q697-R699 VanDerWaalsContact CD-NE 3.28Å; Q697-R699 HydrophobicContact CG-CG 4.27Å; Q697-R699 VanDerWaalsContact NE2-NE 3.1Å; R699-E704 VanDerWaalsContact CZ-CD 3.46Å; R699-E704 IonicContact CZ-OE1 3.65Å; R699-E704 IonicContact NE-OE1 3.12Å; R699-E704 VanDerWaalsContact NH1-CD 3.31Å; R699-E704 IonicContact NH1-OE1 2.63Å; R699-E704 PolarHBondContact NH1-OE1 3.07Å; R699-E704 IonicContact NH2-OE1 3.58Å; R699-E704 PolarHBondContact NH2-OE1 3.23Å; R699-Y713 CarbonylContact O-C 3.37Å; R699-Y713 WeakPolarHBondContact O-CA 3.2Å; R699-Y713 WeakPolarHBondContact O-CD1 3.31Å; R699-D714 HydrophobicContact CB-CB 4.3Å; R699-D714 PolarHBondContact N-O 3.35Å; R699-D714 PolarHBondContact O-N 3.11Å
700	G	79.2	Confident	80.2	Confident	5 Å²	5	72.7 Å²	72.7	5%	0.052	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-59.6	174.9	174.4	0	0	0	0	0	115.1	Y702 G703 T706 S708	G700-Y702 VanDerWaalsContact C-N 3.26Å; G700-Y702 PolarHBondContact O-N 2.92Å; G700-G703 PolarHBondContact O-N 3.31Å; G700-G703 VanDerWaalsContact O-N 3.15Å; G700-T706 WeakPolarHBondContact CA-O 3.47Å; G700-T706 VanDerWaalsContact CA-OG1 3.26Å; G700-T706 WeakPolarHBondContact CA-OG1 3.25Å; G700-T706 PolarHBondContact N-O 3.39Å; G700-S708 VanDerWaalsContact CA-OG 3.28Å; G700-S708 WeakPolarHBondContact CA-OG 3.38Å
701	L	73.5	Confident	79.8	Confident	58 Å²	58	72.3 Å²	72.3	30%	0.304	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-35.3	-177	179.2	59.3	0	0	0	113.7	L674 T706 E707 T712	L674-L701 HydrophobicContact CD1-CD1 3.82Å; L674-L701 HydrophobicContact CD2-CD1 3.76Å; L674-L701 HydrophobicContact CG-CD1 4.32Å; L701-T706 PolarHBondContact N-OG1 2.98Å; L701-E707 PolarHBondContact N-O 3.46Å; L701-T712 HydrophobicContact CD1-CG2 4.19Å
702	Y	65.6	Low	79.7	Confident	166 Å²	166	72.6 Å²	72.6	65%	0.651	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	20.7	-177	-61	-81.8	0	0	0	112.8	G700 T706	G700-Y702 VanDerWaalsContact C-N 3.26Å; G700-Y702 PolarHBondContact O-N 2.92Å; Y702-T706 PolarHBondContact N-OG1 2.88Å
703	G	61.7	Low	79.7	Confident	13 Å²	13	72 Å²	72	13%	0.134	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	96.9	-150	175.9	0	0	0	0	0	114.2	G700 H705 T706	G700-G703 PolarHBondContact O-N 3.31Å; G700-G703 VanDerWaalsContact O-N 3.15Å; G703-H705 PolarHBondContact O-N 3.32Å; G703-T706 PolarHBondContact N-OG1 3.24Å; G703-T706 PolarHBondContact O-N 3.05Å; G703-T706 PolarHBondContact O-OG1 3.09Å
704	E	57.6	Low	79.6	Confident	107 Å²	107	65.6 Å²	65.6	50%	0.5	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	133.9	-176.9	-63.1	-177	-161.5	0	0	110.5	R699 T706	R699-E704 VanDerWaalsContact CZ-CD 3.46Å; R699-E704 IonicContact CZ-OE1 3.65Å; R699-E704 IonicContact NE-OE1 3.12Å; R699-E704 VanDerWaalsContact NH1-CD 3.31Å; R699-E704 IonicContact NH1-OE1 2.63Å; R699-E704 PolarHBondContact NH1-OE1 3.07Å; R699-E704 IonicContact NH2-OE1 3.58Å; R699-E704 PolarHBondContact NH2-OE1 3.23Å; E704-T706 PolarHBondContact O-N 2.89Å
705	H	57.5	Low	79.7	Confident	187 Å²	187	63.1 Å²	63.1	87%	0.866	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	19.4	176.6	-45.2	-64	0	0	0	116.9	G703	G703-H705 PolarHBondContact O-N 3.32Å
706	T	61.9	Low	79.8	Confident	52 Å²	52	58.9 Å²	58.9	32%	0.319	30%	0.299	S	S	.	.			trans	-107.7	156.7	173.6	62.8	0	0	0	0	111.8	G700 L701 Y702 G703 E704	G700-T706 WeakPolarHBondContact CA-O 3.47Å; G700-T706 VanDerWaalsContact CA-OG1 3.26Å; G700-T706 WeakPolarHBondContact CA-OG1 3.25Å; G700-T706 PolarHBondContact N-O 3.39Å; L701-T706 PolarHBondContact N-OG1 2.98Å; Y702-T706 PolarHBondContact N-OG1 2.88Å; G703-T706 PolarHBondContact N-OG1 3.24Å; G703-T706 PolarHBondContact O-N 3.05Å; G703-T706 PolarHBondContact O-OG1 3.09Å; E704-T706 PolarHBondContact O-N 2.89Å
707	E	73.8	Confident	79.9	Confident	169 Å²	169	58.5 Å²	58.5	79%	0.79	30%	0.297	S	S	*	.			trans	-85.5	162.3	175.5	-66.1	-177.2	172.8	0	0	111.4	L701 P709	L701-E707 PolarHBondContact N-O 3.46Å; E707-P709 WeakPolarHBondContact O-CD 3.5Å
708	S	70.3	Confident	80	Confident	20 Å²	20	61.3 Å²	61.3	14%	0.14	31%	0.308	C	S	.	.			trans	-119.9	74.7	177.7	-76.9	0	0	0	0	110	G700 D710 G711 T712	G700-S708 VanDerWaalsContact CA-OG 3.28Å; G700-S708 WeakPolarHBondContact CA-OG 3.38Å; S708-D710 PolarHBondContact O-N 3.37Å; S708-G711 PolarHBondContact O-N 2.92Å; S708-T712 WeakPolarHBondContact CB-O 3.4Å; S708-T712 PolarHBondContact OG-O 2.95Å
709	P	71	Confident	80.2	Confident	100 Å²	100	63.7 Å²	63.7	65%	0.649	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.5	-171	22.3	-32.6	0	0	0	113	E707	E707-P709 WeakPolarHBondContact O-CD 3.5Å
710	D	81	Confident	80.7	Confident	123 Å²	123	62.7 Å²	62.7	66%	0.658	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	17	-172.7	-54.9	-23.8	0	0	0	113.4	S708 T712	S708-D710 PolarHBondContact O-N 3.37Å; D710-T712 PolarHBondContact O-N 2.97Å
711	G	87	Confident	81.5	Confident	6 Å²	6	62.7 Å²	62.7	6%	0.062	31%	0.306	C	S	.	.	S	Bend	trans	66.7	25	-172.8	0	0	0	0	0	113.5	I677 S681 S708	I677-G711 CarbonylContact C-O 3.56Å; I677-G711 PolarHBondContact N-O 3.15Å; S681-G711 WeakPolarHBondContact OG-CA 3.38Å; S708-G711 PolarHBondContact O-N 2.92Å
712	T	92	Very high	82.5	Confident	14 Å²	14	61 Å²	61	9%	0.086	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.8	177.1	-58.7	0	0	0	0	110.2	L674 L675 K676 L701 S708 D710	L674-T712 HydrophobicContact CD1-CG2 3.63Å; L674-T712 HydrophobicContact CD2-CG2 4.19Å; L674-T712 HydrophobicContact CG-CG2 3.57Å; L675-T712 CarbonylContact O-C 3.55Å; L675-T712 WeakPolarHBondContact O-CA 3.11Å; K676-T712 HydrophobicContact CG-CG2 4.37Å; L701-T712 HydrophobicContact CD1-CG2 4.19Å; S708-T712 WeakPolarHBondContact CB-O 3.4Å; S708-T712 PolarHBondContact OG-O 2.95Å; D710-T712 PolarHBondContact O-N 2.97Å
713	Y	93	Very high	83.8	Confident	53 Å²	53	53.1 Å²	53.1	21%	0.208	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.4	-174.4	-77.5	-99.1	0	0	0	111.8	L675 I677 L687 A698 R699 I715	L675-Y713 PolarHBondContact N-O 2.91Å; L675-Y713 PolarHBondContact O-N 2.99Å; I677-Y713 HydrophobicContact CD1-CD2 4.29Å; I677-Y713 HydrophobicContact CG1-CD2 4.24Å; L687-Y713 HydrophobicContact CD2-CD1 4.39Å; L687-Y713 HydrophobicContact CD2-CE1 4.14Å; L687-Y713 HydrophobicContact CD2-CE2 4.31Å; A698-Y713 HydrophobicContact CB-CD1 3.92Å; R699-Y713 CarbonylContact O-C 3.37Å; R699-Y713 WeakPolarHBondContact O-CA 3.2Å; R699-Y713 WeakPolarHBondContact O-CD1 3.31Å; Y713-I715 PolarHBondContact O-N 3Å
714	D	93.9	Very high	85.6	Confident	24 Å²	24	53.3 Å²	53.3	13%	0.128	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	108	160.7	176.5	-28.3	0	0	0	107.9	R670 S672 V673 A698 R699	R670-D714 IonicContact CZ-OD1 2.6Å; R670-D714 IonicContact CZ-OD2 3.77Å; R670-D714 IonicContact NH1-OD1 3.83Å; R670-D714 PolarHBondContact NH1-OD1 3.33Å; R670-D714 IonicContact NH1-OD2 3.79Å; R670-D714 PolarHBondContact NH1-OD2 2.92Å; R670-D714 IonicContact NH2-OD1 2.65Å; R670-D714 PolarHBondContact NH2-OD1 2.64Å; R670-D714 IonicContact NH2-OD2 2.78Å; R670-D714 PolarHBondContact NH2-OD2 3.01Å; S672-D714 WeakPolarHBondContact CB-OD1 3.43Å; V673-D714 WeakPolarHBondContact O-CA 3.38Å; A698-D714 CarbonylContact C-O 3.26Å; A698-D714 WeakPolarHBondContact CA-O 3.29Å; R699-D714 HydrophobicContact CB-CB 4.3Å; R699-D714 PolarHBondContact N-O 3.35Å; R699-D714 PolarHBondContact O-N 3.11Å
715	I	96.4	Very high	87.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.7	176.1	-55.3	-57.7	0	0	0	108.4	S672 V673 L675 L696 A698 Y713 V736 M739	S672-I715 CarbonylContact C-O 3.51Å; S672-I715 WeakPolarHBondContact CA-O 3.17Å; V673-I715 HydrophobicContact CG2-CB 4.09Å; V673-I715 PolarHBondContact N-O 3.42Å; V673-I715 PolarHBondContact O-N 3.46Å; L675-I715 HydrophobicContact CB-CG1 3.98Å; L675-I715 HydrophobicContact CD2-CG1 3.92Å; L696-I715 HydrophobicContact CB-CG2 4.4Å; L696-I715 HydrophobicContact CD1-CG2 3.76Å; A698-I715 HydrophobicContact CB-CD1 3.52Å; Y713-I715 PolarHBondContact O-N 3Å; I715-V736 HydrophobicContact CB-CG2 4.28Å; I715-V736 HydrophobicContact CG2-CG2 3.8Å; I715-M739 HydrophobicContact CD1-CE 4.36Å; I715-M739 HydrophobicContact CD1-SD 4.05Å; I715-M739 HydrophobicContact CG1-SD 4.03Å; I715-M739 HydrophobicContact CG2-CE 4.14Å; I715-M739 HydrophobicContact CG2-SD 4.02Å
716	S	97	Very high	89.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.1	-177.7	61.7	0	0	0	0	112.8	R670 A671 L696 Q697	R670-S716 PolarHBondContact NE-OG 3.07Å; R670-S716 PolarHBondContact NH2-OG 3.42Å; A671-S716 WeakPolarHBondContact O-CA 3.32Å; A671-S716 VanDerWaalsContact O-CB 3.25Å; A671-S716 WeakPolarHBondContact O-CB 3.35Å; L696-S716 CarbonylContact C-O 3.58Å; L696-S716 WeakPolarHBondContact CA-O 3.33Å; L696-S716 WeakPolarHBondContact CB-O 3.41Å; Q697-S716 PolarHBondContact N-O 3.32Å; Q697-S716 PolarHBondContact O-N 3.24Å; Q697-S716 PolarHBondContact O-OG 2.98Å
717	N	97.2	Very high	91.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	141.6	168.1	62.4	-47.4	0	0	0	109.9	M669 R670 A671 L696 R719 R720 M732	M669-N717 PolarHBondContact O-ND2 3.05Å; R670-N717 WeakPolarHBondContact CA-OD1 3.4Å; A671-N717 PolarHBondContact N-OD1 2.99Å; A671-N717 PolarHBondContact O-N 3.5Å; A671-N717 PolarHBondContact O-OD1 3.33Å; A671-N717 VanDerWaalsContact O-OD1 3.09Å; L696-N717 HydrophobicContact CD2-CB 4.45Å; N717-R719 PolarHBondContact ND2-O 2.87Å; N717-R720 PolarHBondContact ND2-NH1 3.33Å; N717-R720 VanDerWaalsContact O-CZ 3.28Å; N717-R720 PolarHBondContact O-NH1 3.41Å; N717-R720 PolarHBondContact O-NH2 2.87Å; N717-R720 PolarHBondContact OD1-NH1 2.98Å; N717-M732 HydrophobicContact CB-CB 4.23Å
718	K	94.1	Very high	92.3	Very high	128 Å²	128	35.5 Å²	35.5	56%	0.557	19%	0.185	S	C	*	.			trans	-87.4	-42.5	175.6	-174.6	-179.4	175.9	179.5	0	111.4	M695 R720	M695-K718 WeakPolarHBondContact O-CA 3.39Å; M695-K718 WeakPolarHBondContact O-CB 3.31Å; M695-K718 PolarHBondContact O-N 3.4Å; K718-R720 PolarHBondContact O-NH1 2.71Å
719	R	94.3	Very high	93.7	Very high	78 Å²	78	34.5 Å²	34.5	29%	0.294	18%	0.178	S	C	.	.			trans	-72.1	145.3	-176.8	-68	172.6	63.3	-156.4	-1.6	111.9	M695 N717 G722 L723 E731	M695-R719 HydrophobicContact CB-CG 4.14Å; N717-R719 PolarHBondContact ND2-O 2.87Å; R719-G722 PolarHBondContact NH2-O 2.76Å; R719-L723 HydrophobicContact CB-CD1 3.96Å; R719-L723 HydrophobicContact CB-CD2 4.1Å; R719-E731 IonicContact CZ-OE1 2.97Å; R719-E731 IonicContact NH1-OE1 3.64Å; R719-E731 PolarHBondContact NH1-OE1 2.91Å; R719-E731 IonicContact NH1-OE2 3.96Å
720	R	96.8	Very high	94.9	Very high	13 Å²	13	32.5 Å²	32.5	5%	0.049	16%	0.16	C	C	.	.			trans	-134	-41.3	178	-57.5	-72.9	178.4	-87.3	-6.7	112	L665 T667 M669 N717 K718 L723	L665-R720 CarbonylContact O-C 3.33Å; L665-R720 VanDerWaalsContact O-CB 3.28Å; L665-R720 WeakPolarHBondContact O-CB 3.28Å; T667-R720 WeakPolarHBondContact CG2-O 3.36Å; T667-R720 PolarHBondContact N-O 3Å; T667-R720 PolarHBondContact OG1-O 2.83Å; M669-R720 WeakPolarHBondContact O-CD 3.39Å; M669-R720 PolarHBondContact O-NE 3.41Å; M669-R720 PolarHBondContact O-NH1 3.34Å; N717-R720 PolarHBondContact ND2-NH1 3.33Å; N717-R720 VanDerWaalsContact O-CZ 3.28Å; N717-R720 PolarHBondContact O-NH1 3.41Å; N717-R720 PolarHBondContact O-NH2 2.87Å; N717-R720 PolarHBondContact OD1-NH1 2.98Å; K718-R720 PolarHBondContact O-NH1 2.71Å; R720-L723 VanDerWaalsContact C-CD2 3.44Å; R720-L723 WeakPolarHBondContact O-CD2 3.5Å
721	L	95.9	Very high	95.7	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.026	14%	0.136	C	C	.	.	S	Bend	trans	-98.9	152.7	174.8	-170.9	70.9	0	0	0	109.9	I474 H478 V480 H487 Y655 L723	I474-L721 HydrophobicContact CG2-CD2 3.57Å; H478-L721 HydrophobicContact CB-CB 4.08Å; H478-L721 HydrophobicContact CB-CD2 4.23Å; V480-L721 HydrophobicContact CG2-CD2 4.21Å; V480-L721 HydrophobicContact CG2-CG 4.47Å; H487-L721 HydrophobicContact CB-CD1 4.25Å; Y655-L721 WeakPolarHBondContact O-CD1 3.24Å; L721-L723 WeakPolarHBondContact O-CD2 3.26Å
722	G	93.6	Very high	96.3	Very high	22 Å²	22	28 Å²	28	23%	0.227	13%	0.133	C	C	.	.	S	Bend	trans	89.9	5	178.1	0	0	0	0	0	116.3	R719	R719-G722 PolarHBondContact NH2-O 2.76Å
723	L	94.8	Very high	96.5	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	13%	0.131	C	C	.	.	S	Bend	trans	-154.1	162	-175.4	75.1	-179.4	0	0	0	110.6	H487 T667 R719 R720 L721 Q727 A728	H487-L723 PolarHBondContact CE1-O 2.93Å; T667-L723 HydrophobicContact CG2-CD2 4.46Å; T667-L723 VanDerWaalsContact CG2-O 3.25Å; T667-L723 WeakPolarHBondContact CG2-O 3.43Å; R719-L723 HydrophobicContact CB-CD1 3.96Å; R719-L723 HydrophobicContact CB-CD2 4.1Å; R720-L723 VanDerWaalsContact C-CD2 3.44Å; R720-L723 WeakPolarHBondContact O-CD2 3.5Å; L721-L723 WeakPolarHBondContact O-CD2 3.26Å; L723-Q727 HydrophobicContact CB-CB 4.09Å; L723-Q727 HydrophobicContact CD1-CB 4.44Å; L723-Q727 HydrophobicContact CG-CB 4.47Å; L723-A728 HydrophobicContact CD1-CB 3.89Å; L723-A728 HydrophobicContact CG-CB 4.15Å
724	T	97.8	Very high	96.8	Very high	18 Å²	18	29.7 Å²	29.7	11%	0.11	14%	0.143	C	C	.	.			trans	-80.9	164.7	174.6	68.3	0	0	0	0	112.1	P488 T491 T667 L726 Q727 A728	P488-T724 HydrophobicContact CB-CG2 3.97Å; P488-T724 HydrophobicContact CG-CG2 3.85Å; T491-T724 HydrophobicContact CG2-CG2 4.12Å; T667-T724 VanDerWaalsContact CG2-C 3.49Å; T724-L726 VanDerWaalsContact C-N 3.27Å; T724-L726 PolarHBondContact O-N 3.41Å; T724-Q727 PolarHBondContact O-N 3.05Å; T724-Q727 VanDerWaalsContact OG1-CG 3.32Å; T724-Q727 WeakPolarHBondContact OG1-CG 3.37Å; T724-Q727 PolarHBondContact OG1-N 2.96Å; T724-Q727 VanDerWaalsContact OG1-N 3.14Å; T724-Q727 PolarHBondContact OG1-OE1 3.33Å; T724-A728 WeakPolarHBondContact O-CB 3.4Å; T724-A728 PolarHBondContact O-N 3.14Å
725	E	98.5	Very high	96.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-59.3	-38.4	173.3	-69.2	86.2	170.4	0	0	112.4	T491 F492 Y633 T667 M669 A728 A729	T491-E725 PolarHBondContact N-OE2 3.36Å; F492-E725 HydrophobicContact CD1-CB 3.84Å; F492-E725 HydrophobicContact CD1-CG 3.77Å; F492-E725 HydrophobicContact CE1-CB 4.31Å; F492-E725 HydrophobicContact CE1-CG 3.71Å; F492-E725 WeakPolarHBondContact CE1-OE1 3.45Å; Y633-E725 WeakPolarHBondContact OH-CB 3.16Å; T667-E725 HydrophobicContact CG2-CB 4.49Å; T667-E725 HydrophobicContact CG2-CG 3.95Å; M669-E725 HydrophobicContact CE-CB 3.64Å; M669-E725 HydrophobicContact CE-CG 3.72Å; M669-E725 HydrophobicContact SD-CB 4.05Å; M669-E725 HydrophobicContact SD-CG 4.45Å; E725-A728 PolarHBondContact O-N 2.94Å; E725-A729 PolarHBondContact O-N 3.38Å; E725-A729 VanDerWaalsContact O-N 3.11Å
726	L	98.5	Very high	97	Very high	40 Å²	40	28.6 Å²	28.6	21%	0.209	14%	0.137	C	C	.	.	H	α-helix	trans	-64.3	-43.8	176.7	-169.6	66.8	0	0	0	111.2	T491 L498 P499 F500 Y633 T724 A729 H730	T491-L726 PolarHBondContact O-N 3.35Å; L498-L726 HydrophobicContact CD2-CD1 3.77Å; P499-L726 HydrophobicContact CG-CD1 3.94Å; P499-L726 HydrophobicContact CG-CD2 4.37Å; P499-L726 HydrophobicContact CG-CG 4.1Å; F500-L726 HydrophobicContact CE1-CD1 4.04Å; F500-L726 HydrophobicContact CZ-CD1 4.27Å; Y633-L726 PolarHBondContact OH-N 2.96Å; T724-L726 VanDerWaalsContact C-N 3.27Å; T724-L726 PolarHBondContact O-N 3.41Å; L726-A729 PolarHBondContact O-N 2.91Å; L726-H730 VanDerWaalsContact O-CB 3.23Å; L726-H730 WeakPolarHBondContact O-CB 3.48Å; L726-H730 PolarHBondContact O-N 2.92Å
727	Q	97.7	Very high	97	Very high	99 Å²	99	30.8 Å²	30.8	46%	0.463	16%	0.155	S	C	.	.	H	α-helix	trans	-64.2	-42.8	175.7	-73.9	171.3	-30	0	0	111.6	L723 T724 A729 H730 E731	L723-Q727 HydrophobicContact CB-CB 4.09Å; L723-Q727 HydrophobicContact CD1-CB 4.44Å; L723-Q727 HydrophobicContact CG-CB 4.47Å; T724-Q727 PolarHBondContact O-N 3.05Å; T724-Q727 VanDerWaalsContact OG1-CG 3.32Å; T724-Q727 WeakPolarHBondContact OG1-CG 3.37Å; T724-Q727 PolarHBondContact OG1-N 2.96Å; T724-Q727 VanDerWaalsContact OG1-N 3.14Å; T724-Q727 PolarHBondContact OG1-OE1 3.33Å; Q727-A729 PolarHBondContact O-N 3.34Å; Q727-H730 PolarHBondContact O-N 3.36Å; Q727-E731 WeakPolarHBondContact O-CB 3.37Å; Q727-E731 WeakPolarHBondContact O-CG 3.37Å; Q727-E731 PolarHBondContact O-N 3.43Å
728	A	97.9	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60	-43	178.5	0	0	0	0	0	112.6	L723 T724 E725 M732	L723-A728 HydrophobicContact CD1-CB 3.89Å; L723-A728 HydrophobicContact CG-CB 4.15Å; T724-A728 WeakPolarHBondContact O-CB 3.4Å; T724-A728 PolarHBondContact O-N 3.14Å; E725-A728 PolarHBondContact O-N 2.94Å; A728-M732 PolarHBondContact O-N 2.93Å
729	A	98.3	Very high	97.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-70.3	-38.3	174.8	0	0	0	0	0	112.2	F500 Y633 M669 E725 L726 Q727 M732 A733	F500-A729 HydrophobicContact CE1-CB 3.66Å; F500-A729 HydrophobicContact CZ-CB 3.69Å; Y633-A729 HydrophobicContact CD2-CB 3.66Å; Y633-A729 HydrophobicContact CE2-CB 3.57Å; M669-A729 HydrophobicContact SD-CB 4.49Å; E725-A729 PolarHBondContact O-N 3.38Å; E725-A729 VanDerWaalsContact O-N 3.11Å; L726-A729 PolarHBondContact O-N 2.91Å; Q727-A729 PolarHBondContact O-N 3.34Å; A729-M732 PolarHBondContact O-N 2.88Å; A729-A733 WeakPolarHBondContact O-CB 3.45Å; A729-A733 PolarHBondContact O-N 2.78Å
730	H	98	Very high	97.2	Very high	58 Å²	58	24.2 Å²	24.2	27%	0.269	13%	0.129	S	C	.	.	H	α-helix	trans	-67.4	-40.5	178.5	-170	-123.9	0	0	0	112.8	F500 L726 Q727 M732 A733 E734	F500-H730 HydrophobicContact CD1-CB 4.27Å; F500-H730 HydrophobicContact CE1-CB 4.44Å; L726-H730 VanDerWaalsContact O-CB 3.23Å; L726-H730 WeakPolarHBondContact O-CB 3.48Å; L726-H730 PolarHBondContact O-N 2.92Å; Q727-H730 PolarHBondContact O-N 3.36Å; H730-M732 VanDerWaalsContact C-N 3.3Å; H730-M732 PolarHBondContact O-N 3.31Å; H730-A733 WeakPolarHBondContact O-CB 3.41Å; H730-A733 PolarHBondContact O-N 3.46Å; H730-A733 VanDerWaalsContact O-N 3.1Å; H730-E734 VanDerWaalsContact CE1-CD 3.44Å; H730-E734 IonicContact CE1-OE1 3.43Å; H730-E734 PolarHBondContact CE1-OE1 3.38Å; H730-E734 IonicContact ND1-OE1 2.59Å; H730-E734 IonicContact NE2-OE1 3.04Å; H730-E734 PolarHBondContact O-N 3.21Å
731	E	97.5	Very high	97.2	Very high	35 Å²	35	28.9 Å²	28.9	16%	0.164	15%	0.151	C	C	.	.	H	α-helix	trans	-58	-42.4	174	-78.3	-179.1	-170.6	0	0	111.6	R719 Q727 G735	R719-E731 IonicContact CZ-OE1 2.97Å; R719-E731 IonicContact NH1-OE1 3.64Å; R719-E731 PolarHBondContact NH1-OE1 2.91Å; R719-E731 IonicContact NH1-OE2 3.96Å; Q727-E731 WeakPolarHBondContact O-CB 3.37Å; Q727-E731 WeakPolarHBondContact O-CG 3.37Å; Q727-E731 PolarHBondContact O-N 3.43Å; E731-G735 PolarHBondContact O-N 2.86Å; E731-G735 VanDerWaalsContact O-N 3.17Å
732	M	98	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-46.7	173.3	-170.5	-81.6	-73.9	0	0	111.3	L503 L629 A671 V673 L696 N717 A728 A729 H730 E734 G735 V736	L503-M732 HydrophobicContact CD1-SD 4.47Å; L629-M732 HydrophobicContact CD1-CE 3.64Å; L629-M732 HydrophobicContact CD2-CE 3.67Å; L629-M732 HydrophobicContact CG-CE 4.24Å; A671-M732 HydrophobicContact CB-CB 4.11Å; A671-M732 HydrophobicContact CB-CE 3.72Å; A671-M732 HydrophobicContact CB-CG 4.24Å; V673-M732 HydrophobicContact CG1-CE 4.08Å; V673-M732 HydrophobicContact CG1-SD 4.02Å; V673-M732 HydrophobicContact CG2-SD 4.39Å; L696-M732 HydrophobicContact CD2-CB 4.45Å; N717-M732 HydrophobicContact CB-CB 4.23Å; A728-M732 PolarHBondContact O-N 2.93Å; A729-M732 PolarHBondContact O-N 2.88Å; H730-M732 VanDerWaalsContact C-N 3.3Å; H730-M732 PolarHBondContact O-N 3.31Å; M732-E734 PolarHBondContact O-N 3.39Å; M732-G735 PolarHBondContact O-N 2.59Å; M732-V736 HydrophobicContact CG-CG2 4.31Å; M732-V736 WeakPolarHBondContact O-CB 3.42Å; M732-V736 VanDerWaalsContact O-CG2 3.29Å; M732-V736 WeakPolarHBondContact O-CG2 3.42Å; M732-V736 PolarHBondContact O-N 3.21Å; M732-V736 HydrophobicContact SD-CB 4.29Å; M732-V736 HydrophobicContact SD-CG2 3.56Å; M732-V736 VanDerWaalsContact SD-CG2 3.56Å
733	A	98	Very high	97.2	Very high	5 Å²	5	29.6 Å²	29.6	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-57.8	-49.7	-180	0	0	0	0	0	112.6	F500 L503 L629 A729 H730 A737	F500-A733 HydrophobicContact CB-CB 3.92Å; F500-A733 HydrophobicContact CD1-CB 4.41Å; F500-A733 HydrophobicContact CG-CB 4.38Å; L503-A733 HydrophobicContact CD1-CB 4.34Å; L503-A733 HydrophobicContact CD2-CB 3.9Å; L629-A733 HydrophobicContact CD2-CB 3.79Å; A729-A733 WeakPolarHBondContact O-CB 3.45Å; A729-A733 PolarHBondContact O-N 2.78Å; H730-A733 WeakPolarHBondContact O-CB 3.41Å; H730-A733 PolarHBondContact O-N 3.46Å; H730-A733 VanDerWaalsContact O-N 3.1Å; A733-A737 VanDerWaalsContact O-CB 3.26Å; A733-A737 WeakPolarHBondContact O-CB 3.44Å; A733-A737 PolarHBondContact O-N 2.99Å
734	E	97.5	Very high	97.2	Very high	97 Å²	97	35.7 Å²	35.7	45%	0.453	18%	0.175	S	C	.	.	H	α-helix	trans	-63.4	-45.9	179.8	-72	-174	149	0	0	111.9	Y694 H730 M732 A737 K738	Y694-E734 HydrophobicContact CD1-CB 4.28Å; Y694-E734 HydrophobicContact CE1-CB 4.11Å; H730-E734 VanDerWaalsContact CE1-CD 3.44Å; H730-E734 IonicContact CE1-OE1 3.43Å; H730-E734 PolarHBondContact CE1-OE1 3.38Å; H730-E734 IonicContact ND1-OE1 2.59Å; H730-E734 IonicContact NE2-OE1 3.04Å; H730-E734 PolarHBondContact O-N 3.21Å; M732-E734 PolarHBondContact O-N 3.39Å; E734-A737 PolarHBondContact O-N 3.26Å; E734-K738 PolarHBondContact O-N 2.93Å
735	G	97.3	Very high	97	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68	-38.9	-179	0	0	0	0	0	112.8	Y694 E731 M732 K738 M739	Y694-G735 VanDerWaalsContact CD1-CA 3.46Å; E731-G735 PolarHBondContact O-N 2.86Å; E731-G735 VanDerWaalsContact O-N 3.17Å; M732-G735 PolarHBondContact O-N 2.59Å; G735-K738 PolarHBondContact O-N 3.48Å; G735-M739 WeakPolarHBondContact O-CG 3.31Å; G735-M739 PolarHBondContact O-N 3.18Å
736	V	97.6	Very high	96.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-44	173.8	168.8	0	0	0	0	111.4	L503 I510 V673 L675 I715 M732 K738 M739 I740	L503-V736 HydrophobicContact CD1-CB 4.42Å; L503-V736 HydrophobicContact CD1-CG1 4.18Å; I510-V736 HydrophobicContact CD1-CG1 4.02Å; V673-V736 HydrophobicContact CG2-CB 4.38Å; V673-V736 HydrophobicContact CG2-CG1 3.93Å; V673-V736 HydrophobicContact CG2-CG2 3.51Å; L675-V736 HydrophobicContact CD1-CG1 4.23Å; L675-V736 HydrophobicContact CD2-CG1 4.46Å; I715-V736 HydrophobicContact CB-CG2 4.28Å; I715-V736 HydrophobicContact CG2-CG2 3.8Å; M732-V736 HydrophobicContact CG-CG2 4.31Å; M732-V736 WeakPolarHBondContact O-CB 3.42Å; M732-V736 VanDerWaalsContact O-CG2 3.29Å; M732-V736 WeakPolarHBondContact O-CG2 3.42Å; M732-V736 PolarHBondContact O-N 3.21Å; M732-V736 HydrophobicContact SD-CB 4.29Å; M732-V736 HydrophobicContact SD-CG2 3.56Å; M732-V736 VanDerWaalsContact SD-CG2 3.56Å; V736-K738 VanDerWaalsContact C-N 3.25Å; V736-K738 PolarHBondContact O-N 3.26Å; V736-M739 PolarHBondContact O-N 3.01Å; V736-M739 VanDerWaalsContact O-N 3.14Å; V736-I740 HydrophobicContact CG1-CD1 3.94Å; V736-I740 HydrophobicContact CG1-CG1 4.46Å; V736-I740 WeakPolarHBondContact O-CG1 3.45Å; V736-I740 PolarHBondContact O-N 2.95Å
737	A	97	Very high	96.6	Very high	46 Å²	46	41.6 Å²	41.6	38%	0.38	22%	0.223	S	C	.	.	H	α-helix	trans	-57.8	-41.2	175.6	0	0	0	0	0	111.2	A733 E734 I740 E741	A733-A737 VanDerWaalsContact O-CB 3.26Å; A733-A737 WeakPolarHBondContact O-CB 3.44Å; A733-A737 PolarHBondContact O-N 2.99Å; E734-A737 PolarHBondContact O-N 3.26Å; A737-I740 PolarHBondContact O-N 3.5Å; A737-E741 PolarHBondContact O-N 3.47Å
738	K	96.7	Very high	96.6	Very high	63 Å²	63	38.6 Å²	38.6	27%	0.274	21%	0.211	S	C	.	.	H	α-helix	trans	-66.8	-40.8	175.1	-166.2	73	-159	166.8	0	112.9	Y694 E734 G735 V736 I740 E741 I742	Y694-K738 HydrophobicContact CE2-CB 4.03Å; Y694-K738 HydrophobicContact CE2-CG 3.97Å; Y694-K738 WeakPolarHBondContact OH-CG 3.29Å; E734-K738 PolarHBondContact O-N 2.93Å; G735-K738 PolarHBondContact O-N 3.48Å; V736-K738 VanDerWaalsContact C-N 3.25Å; V736-K738 PolarHBondContact O-N 3.26Å; K738-I740 VanDerWaalsContact C-N 3.32Å; K738-I740 PolarHBondContact O-N 3.04Å; K738-E741 WeakPolarHBondContact CD-OE2 3.43Å; K738-E741 IonicContact NZ-OE1 2.8Å; K738-E741 PolarHBondContact NZ-OE1 2.8Å; K738-E741 IonicContact NZ-OE2 2.75Å; K738-E741 PolarHBondContact NZ-OE2 2.98Å; K738-E741 PolarHBondContact O-N 2.97Å; K738-I742 HydrophobicContact CG-CD1 4.1Å; K738-I742 VanDerWaalsContact O-CG1 3.31Å; K738-I742 WeakPolarHBondContact O-CG1 3.31Å; K738-I742 PolarHBondContact O-N 3.22Å
739	M	97	Very high	96.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-42.7	174.8	-73.7	-178.9	-173	0	0	111.4	L675 L680 L687 I690 C691 L696 I715 G735 V736 I742 E743	L675-M739 HydrophobicContact CD2-CB 3.94Å; L675-M739 HydrophobicContact CD2-SD 4Å; L680-M739 HydrophobicContact CD2-CB 4.29Å; L680-M739 HydrophobicContact CD2-CG 4.13Å; L687-M739 HydrophobicContact CD1-CE 4.03Å; L687-M739 HydrophobicContact CD1-SD 4.18Å; I690-M739 HydrophobicContact CB-CE 4.3Å; I690-M739 HydrophobicContact CG2-CE 3.69Å; I690-M739 HydrophobicContact CG2-CG 3.74Å; C691-M739 VanDerWaalsContact SG-CE 3.52Å; L696-M739 HydrophobicContact CD1-CE 3.95Å; I715-M739 HydrophobicContact CD1-CE 4.36Å; I715-M739 HydrophobicContact CD1-SD 4.05Å; I715-M739 HydrophobicContact CG1-SD 4.03Å; I715-M739 HydrophobicContact CG2-CE 4.14Å; I715-M739 HydrophobicContact CG2-SD 4.02Å; G735-M739 WeakPolarHBondContact O-CG 3.31Å; G735-M739 PolarHBondContact O-N 3.18Å; V736-M739 PolarHBondContact O-N 3.01Å; V736-M739 VanDerWaalsContact O-N 3.14Å; M739-I742 PolarHBondContact O-N 2.64Å; M739-E743 WeakPolarHBondContact O-CB 3.46Å; M739-E743 PolarHBondContact O-N 2.72Å
740	I	96.8	Very high	96.4	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-41.8	176.3	-68.6	172	0	0	0	111.4	D504 F509 I510 L675 V736 A737 K738 I742 E743 K744	D504-I740 HydrophobicContact CB-CD1 4.38Å; F509-I740 HydrophobicContact CB-CD1 4.05Å; F509-I740 HydrophobicContact CB-CG1 3.95Å; F509-I740 HydrophobicContact CD1-CG2 4.41Å; F509-I740 HydrophobicContact CD2-CG2 3.76Å; F509-I740 HydrophobicContact CE2-CG2 3.99Å; F509-I740 HydrophobicContact CG-CG1 4.13Å; F509-I740 HydrophobicContact CG-CG2 4Å; F509-I740 HydrophobicContact CZ-CG2 4.4Å; I510-I740 HydrophobicContact CD1-CD1 4Å; I510-I740 HydrophobicContact CG1-CD1 4.11Å; L675-I740 HydrophobicContact CD1-CD1 3.97Å; L675-I740 HydrophobicContact CD1-CG1 3.79Å; V736-I740 HydrophobicContact CG1-CD1 3.94Å; V736-I740 HydrophobicContact CG1-CG1 4.46Å; V736-I740 WeakPolarHBondContact O-CG1 3.45Å; V736-I740 PolarHBondContact O-N 2.95Å; A737-I740 PolarHBondContact O-N 3.5Å; K738-I740 VanDerWaalsContact C-N 3.32Å; K738-I740 PolarHBondContact O-N 3.04Å; I740-I742 VanDerWaalsContact C-N 3.34Å; I740-I742 PolarHBondContact O-N 3.4Å; I740-E743 PolarHBondContact O-N 3.4Å; I740-K744 HydrophobicContact CG2-CD 4.18Å; I740-K744 VanDerWaalsContact O-CG 3.31Å; I740-K744 WeakPolarHBondContact O-CG 3.31Å; I740-K744 PolarHBondContact O-N 3.48Å
741	E	95.9	Very high	96.3	Very high	112 Å²	112	42.2 Å²	42.2	52%	0.523	23%	0.234	S	C	.	.	H	α-helix	trans	-60.2	-44.3	175.6	-170.4	-162.1	141.2	0	0	111.5	A737 K738 K744 G745	A737-E741 PolarHBondContact O-N 3.47Å; K738-E741 WeakPolarHBondContact CD-OE2 3.43Å; K738-E741 IonicContact NZ-OE1 2.8Å; K738-E741 PolarHBondContact NZ-OE1 2.8Å; K738-E741 IonicContact NZ-OE2 2.75Å; K738-E741 PolarHBondContact NZ-OE2 2.98Å; K738-E741 PolarHBondContact O-N 2.97Å; E741-K744 PolarHBondContact O-N 2.85Å; E741-G745 PolarHBondContact O-N 2.75Å
742	I	95.6	Very high	96.2	Very high	32 Å²	32	42.7 Å²	42.7	16%	0.164	24%	0.238	C	C	.	.	H	α-helix	trans	-66.5	-43.3	177.9	-67.7	168.3	0	0	0	110.9	L680 I690 K738 M739 I740 K744 G745 L746	L680-I742 HydrophobicContact CD1-CG2 4.1Å; I690-I742 HydrophobicContact CD1-CD1 3.47Å; I690-I742 VanDerWaalsContact CD1-CD1 3.47Å; I690-I742 HydrophobicContact CG1-CD1 4.08Å; K738-I742 HydrophobicContact CG-CD1 4.1Å; K738-I742 VanDerWaalsContact O-CG1 3.31Å; K738-I742 WeakPolarHBondContact O-CG1 3.31Å; K738-I742 PolarHBondContact O-N 3.22Å; M739-I742 PolarHBondContact O-N 2.64Å; I740-I742 VanDerWaalsContact C-N 3.34Å; I740-I742 PolarHBondContact O-N 3.4Å; I742-K744 VanDerWaalsContact C-N 3.26Å; I742-K744 PolarHBondContact O-N 3.29Å; I742-G745 PolarHBondContact O-N 3.39Å; I742-L746 HydrophobicContact CG2-CD1 4.12Å; I742-L746 HydrophobicContact CG2-CG 4.38Å; I742-L746 WeakPolarHBondContact O-CG 3.27Å; I742-L746 PolarHBondContact O-N 3.31Å
743	E	95.9	Very high	96.1	Very high	9 Å²	9	45.7 Å²	45.7	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-60.5	-34.7	177.5	-175.6	65.5	-164.1	0	0	112.4	F509 I677 P678 K679 L680 M739 I740 G745 L746	F509-E743 HydrophobicContact CD1-CB 4.46Å; F509-E743 HydrophobicContact CD1-CG 3.97Å; F509-E743 HydrophobicContact CE1-CB 4.14Å; F509-E743 HydrophobicContact CE1-CG 3.62Å; I677-E743 VanDerWaalsContact CA-CD 3.5Å; I677-E743 WeakPolarHBondContact CA-OE2 3.42Å; I677-E743 HydrophobicContact CB-CG 4.47Å; I677-E743 HydrophobicContact CG2-CB 4.05Å; I677-E743 HydrophobicContact CG2-CG 4.06Å; P678-E743 WeakPolarHBondContact CD-OE1 3.18Å; P678-E743 WeakPolarHBondContact CG-OE1 3.31Å; K679-E743 VanDerWaalsContact CB-OE1 3.29Å; K679-E743 WeakPolarHBondContact CB-OE1 3.42Å; K679-E743 VanDerWaalsContact CG-OE1 3.31Å; K679-E743 WeakPolarHBondContact CG-OE1 3.48Å; K679-E743 PolarHBondContact N-OE1 3.35Å; K679-E743 PolarHBondContact N-OE2 3.06Å; L680-E743 WeakPolarHBondContact CB-OE2 3.48Å; L680-E743 PolarHBondContact N-OE2 3Å; M739-E743 WeakPolarHBondContact O-CB 3.46Å; M739-E743 PolarHBondContact O-N 2.72Å; I740-E743 PolarHBondContact O-N 3.4Å; E743-G745 VanDerWaalsContact C-N 3.34Å; E743-L746 VanDerWaalsContact O-OXT 3.11Å
744	K	94.4	Very high	95.9	Very high	129 Å²	129	48.8 Å²	48.8	56%	0.561	27%	0.272	S	S	*	.	H	α-helix	trans	-71.4	-28	174.5	-73.2	170.2	-178.8	173.3	0	113.3	F509 I740 E741 I742	F509-K744 HydrophobicContact CE1-CG 4.28Å; F509-K744 HydrophobicContact CE2-CD 4.35Å; F509-K744 HydrophobicContact CE2-CG 4.15Å; F509-K744 HydrophobicContact CZ-CD 4.22Å; F509-K744 HydrophobicContact CZ-CG 3.53Å; I740-K744 HydrophobicContact CG2-CD 4.18Å; I740-K744 VanDerWaalsContact O-CG 3.31Å; I740-K744 WeakPolarHBondContact O-CG 3.31Å; I740-K744 PolarHBondContact O-N 3.48Å; E741-K744 PolarHBondContact O-N 2.85Å; I742-K744 VanDerWaalsContact C-N 3.26Å; I742-K744 PolarHBondContact O-N 3.29Å
745	G	93.8	Very high	95.8	Very high	72 Å²	72	44.8 Å²	44.8	74%	0.742	26%	0.257	S	S	*	.	H	α-helix	trans	-88.1	-22.8	-178.3	0	0	0	0	0	114.3	E741 I742 E743	E741-G745 PolarHBondContact O-N 2.75Å; I742-G745 PolarHBondContact O-N 3.39Å; E743-G745 VanDerWaalsContact C-N 3.34Å
746	L	91.7	Very high	95.7	Very high	70 Å²	70	48.9 Å²	48.9	37%	0.366	28%	0.28	S	S	.	.			trans	-77	0	161.9	-60.5	174.3	0	0	0	108.7	K679 L680 I742 E743	K679-L746 HydrophobicContact CB-CB 3.78Å; K679-L746 HydrophobicContact CB-CD1 4.05Å; K679-L746 HydrophobicContact CD-CB 3.77Å; K679-L746 VanDerWaalsContact CD-O 3.31Å; K679-L746 WeakPolarHBondContact CD-O 3.42Å; K679-L746 VanDerWaalsContact CD-OXT 3.27Å; K679-L746 WeakPolarHBondContact CD-OXT 3.2Å; K679-L746 HydrophobicContact CG-CB 4.46Å; K679-L746 PolarHBondContact NZ-O 2.58Å; K679-L746 PolarHBondContact NZ-OXT 2.85Å; L680-L746 HydrophobicContact CB-CD1 4.22Å; I742-L746 HydrophobicContact CG2-CD1 4.12Å; I742-L746 HydrophobicContact CG2-CG 4.38Å; I742-L746 WeakPolarHBondContact O-CG 3.27Å; I742-L746 PolarHBondContact O-N 3.31Å; E743-L746 VanDerWaalsContact O-OXT 3.11Å

Retrieved 746 of 746 residues in 337.4 ms (Link to these results)

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