A0A093HHM5_STRCA Loading...

NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for catalysing the entry and efficient transfer of electrons within complex I. Plays a key role in the assembly and stability of complex I and participates in the association of complex I with ubiquinol-cytochrome reductase complex (Complex III) to form supercomplexes.

AlphaFold DB , UniProt , Accession A0A093HHM5, Species STRCA (Struthio camelus australis), Gene n/a, Length 728 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	28.9	Very low	238 Å²	238	175.6 Å²	175.6	100%	1.172	88%	0.879	S	S	*	*				0	119.4	0	-82.1	175	178.5	0	0	109.2
2	L	27.6	Very low	28.7	Very low	155 Å²	155	168.6 Å²	168.6	81%	0.812	87%	0.869	S	S	*	*			trans	45.4	105.2	144.9	-70	153.7	0	0	0	122.2
3	R	26.2	Very low	28.5	Very low	225 Å²	225	163.6 Å²	163.6	85%	0.849	87%	0.868	S	S	*	*				41.6	116.8	123	-69.4	-175.6	175.7	-176.6	-0.8	121.9
4	L	32.4	Very low	28.5	Very low	156 Å²	156	162.1 Å²	162.1	82%	0.817	87%	0.868	S	S	*	*				53.4	156.3	122.8	-73.1	168.6	0	0	0	120.4
5	P	40	Very low	28.4	Very low	127 Å²	127	157.1 Å²	157.1	83%	0.825	86%	0.858	S	S	*	*			cis	-145.3	-178.7	35.3	38.3	-14.6	0	0	0	118.8
6	A	29.6	Very low	28.5	Very low	88 Å²	88	155.7 Å²	155.7	73%	0.727	86%	0.859	S	S	*	*			trans	-75.5	157.7	-170.9	0	0	0	0	0	117.1
7	V	26.6	Very low	28.3	Very low	145 Å²	145	153.4 Å²	153.4	88%	0.879	86%	0.856	S	S	*	*			trans	-143.1	123.5	150.4	179.7	0	0	0	0	110.6
8	R	25.8	Very low	28.2	Very low	239 Å²	239	151.1 Å²	151.1	90%	0.902	85%	0.852	S	S	*	*			trans	-70.8	141.5	167.8	-90.7	173.1	163.3	174.6	-5.4	110.8
9	R	25.6	Very low	28.5	Very low	244 Å²	244	154.3 Å²	154.3	92%	0.921	86%	0.856	S	S	*	*			trans	-141	132.8	146.6	-102.2	-178.3	179.9	177.8	-0.4	111.5
10	T	25.7	Very low	28.5	Very low	135 Å²	135	151.6 Å²	151.6	83%	0.828	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-66	135.3	-177.8	42.7	0	0	0	0	112.8
11	L	26.9	Very low	28.5	Very low	180 Å²	180	150.1 Å²	150.1	94%	0.942	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-99.9	132.3	164.4	-86	164.1	0	0	0	110.2
12	A	26.5	Very low	28.3	Very low	91 Å²	91	141.6 Å²	141.6	75%	0.752	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-76.8	153.7	-172.5	0	0	0	0	0	112.7
13	A	26.4	Very low	28.3	Very low	104 Å²	104	145.5 Å²	145.5	86%	0.86	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-61.6	135.6	173.8	0	0	0	0	0	112.2
14	V	27.9	Very low	28.3	Very low	143 Å²	143	140.8 Å²	140.8	87%	0.867	83%	0.826	S	S	*	*			trans	-120.5	125.8	163.4	178.3	0	0	0	0	107.5
15	A	27.2	Very low	28.2	Very low	86 Å²	86	139.3 Å²	139.3	71%	0.711	82%	0.823	S	S	*	*			trans	-68.9	153.3	-175	0	0	0	0	0	113.3
16	P	29.3	Very low	27.8	Very low	135 Å²	135	137.8 Å²	137.8	88%	0.877	82%	0.821	S	S	*	*			trans	-86.8	116.4	169.7	32.9	-27.4	0	0	0	110.5
17	S	26.2	Very low	28.3	Very low	116 Å²	116	139.4 Å²	139.4	81%	0.811	82%	0.823	S	S	*	*			trans	-134.9	138.5	157.9	80.8	0	0	0	0	105.4
18	S	26.9	Very low	29	Very low	112 Å²	112	137.4 Å²	137.4	78%	0.783	82%	0.821	S	S	*	*			cis	-156.1	157.6	23.1	47.8	0	0	0	0	108.5	A20	S18-A20 PolarHBondContact O-N 3.02Å; S18-A20 VanDerWaalsContact O-N 3.12Å
19	K	33	Very low	29.9	Very low	212 Å²	212	130.7 Å²	130.7	92%	0.922	82%	0.817	S	S	*	*			trans	-58.7	107.5	-179	-70	171.1	174.2	176.6	0	111.4	C21	K19-C21 PolarHBondContact O-N 3.21Å
20	A	28.6	Very low	31.4	Very low	100 Å²	100	122.1 Å²	122.1	83%	0.826	80%	0.804	S	S	*	*			trans	-77.4	111.1	156	0	0	0	0	0	107.6	S18 G22	S18-A20 PolarHBondContact O-N 3.02Å; S18-A20 VanDerWaalsContact O-N 3.12Å; A20-G22 VanDerWaalsContact C-N 3.25Å; A20-G22 PolarHBondContact O-N 2.87Å
21	C	27.6	Very low	34.1	Very low	122 Å²	122	121.8 Å²	121.8	82%	0.824	80%	0.797	S	S	*	*			trans	-68.3	85.5	174.3	-169.6	0	0	0	0	108.5	K19 R23	K19-C21 PolarHBondContact O-N 3.21Å; C21-R23 PolarHBondContact O-N 3.07Å; C21-R23 VanDerWaalsContact O-N 3.17Å
22	G	28.1	Very low	37.1	Very low	58 Å²	58	117.9 Å²	117.9	60%	0.598	77%	0.774	S	S	*	*			trans	-64.3	110	162	0	0	0	0	0	107.3	A20 T24	A20-G22 VanDerWaalsContact C-N 3.25Å; A20-G22 PolarHBondContact O-N 2.87Å; G22-T24 PolarHBondContact O-N 2.79Å
23	R	27.2	Very low	40.4	Very low	237 Å²	237	115.2 Å²	115.2	89%	0.894	75%	0.747	S	S	*	*			trans	-62.1	91.3	160.6	-87	179.5	172.2	173.2	-2.6	106.4	C21 T25	C21-R23 PolarHBondContact O-N 3.07Å; C21-R23 VanDerWaalsContact O-N 3.17Å; R23-T25 PolarHBondContact O-N 3.18Å
24	T	27.3	Very low	43.7	Very low	127 Å²	127	114.1 Å²	114.1	78%	0.779	72%	0.724	S	S	*	*			trans	-57.9	106	155.9	39.5	0	0	0	0	106	G22 A26	G22-T24 PolarHBondContact O-N 2.79Å; T24-A26 PolarHBondContact O-N 3.05Å
25	T	30.4	Very low	46.9	Very low	124 Å²	124	107.3 Å²	107.3	76%	0.761	68%	0.683	S	S	*	*			trans	-56.1	104.4	151.8	42.9	0	0	0	0	105.1	R23 T27	R23-T25 PolarHBondContact O-N 3.18Å; T25-T27 PolarHBondContact O-N 3.35Å
26	A	31.3	Very low	50.3	Low	95 Å²	95	106.2 Å²	106.2	79%	0.785	66%	0.662	S	S	*	*			trans	-61	89.5	173.6	0	0	0	0	0	107.6	T24 A28	T24-A26 PolarHBondContact O-N 3.05Å; A26-A28 PolarHBondContact O-N 3.24Å
27	T	39.8	Very low	53.5	Low	123 Å²	123	99.8 Å²	99.8	76%	0.755	62%	0.62	S	S	*	*			trans	-57.1	134.7	157.7	37.9	0	0	0	0	106.7	T25 A29	T25-T27 PolarHBondContact O-N 3.35Å; T27-A29 PolarHBondContact O-N 3.14Å
28	A	41	Very low	56.8	Low	103 Å²	103	97.1 Å²	97.1	85%	0.851	60%	0.597	S	S	*	*			trans	-54.9	95.4	-173.4	0	0	0	0	0	111.9	A26 G30	A26-A28 PolarHBondContact O-N 3.24Å; A28-G30 PolarHBondContact O-N 3.5Å
29	A	45.4	Very low	60	Low	98 Å²	98	93.8 Å²	93.8	81%	0.81	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	15	174.6	0	0	0	0	0	113.2	T27	T27-A29 PolarHBondContact O-N 3.14Å
30	G	56.2	Low	62.9	Low	63 Å²	63	88.6 Å²	88.6	65%	0.649	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-22.2	-161.6	0	0	0	0	0	116.9	A28	A28-G30 PolarHBondContact O-N 3.5Å
31	N	82.5	Confident	66.1	Low	129 Å²	129	87.7 Å²	87.7	69%	0.69	55%	0.549	S	S	*	.			trans	-126.9	12.7	-163.2	-74.7	-1.5	0	0	0	115.7	I33 P46	N31-I33 PolarHBondContact O-N 3.33Å; N31-P46 HydrophobicContact CB-CG 4.26Å; N31-P46 WeakPolarHBondContact O-CD 3.35Å; N31-P46 WeakPolarHBondContact O-CG 3.41Å
32	Q	91.2	Very high	69.4	Low	98 Å²	98	83 Å²	83	46%	0.458	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-68.4	135.8	177	-68.9	-172.5	-30.6	0	0	111.2	L43 V44 N45	Q32-L43 HydrophobicContact CB-CB 4.4Å; Q32-V44 CarbonylContact C-O 3.5Å; Q32-V44 WeakPolarHBondContact CA-O 3.23Å; Q32-N45 PolarHBondContact NE2-OD1 3.37Å
33	I	94.2	Very high	72.6	Confident	34 Å²	34	84.9 Å²	84.9	17%	0.174	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	137.3	175.7	56.4	175.2	0	0	0	109.5	N31 V44 V97 K99	N31-I33 PolarHBondContact O-N 3.33Å; I33-V44 HydrophobicContact CD1-CG2 4.31Å; I33-V44 HydrophobicContact CG1-CG2 3.76Å; I33-V44 WeakPolarHBondContact CG1-O 3.11Å; I33-V44 PolarHBondContact N-O 3.4Å; I33-V44 PolarHBondContact O-N 3.13Å; I33-V97 HydrophobicContact CD1-CG2 3.49Å; I33-V97 VanDerWaalsContact CD1-CG2 3.49Å; I33-V97 WeakPolarHBondContact CD1-O 3.44Å; I33-V97 HydrophobicContact CG1-CG2 4.25Å; I33-K99 HydrophobicContact CB-CB 4.42Å
34	E	95.9	Very high	75.8	Confident	82 Å²	82	73.6 Å²	73.6	38%	0.383	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130	176.4	-174.6	178.7	-149.1	0	0	110.1	P41 L43 K99 G100	E34-P41 HydrophobicContact CG-CB 4.48Å; E34-L43 HydrophobicContact CB-CD2 3.89Å; E34-L43 HydrophobicContact CG-CD2 4.33Å; E34-K99 WeakPolarHBondContact O-CA 3.36Å; E34-G100 PolarHBondContact O-N 3.28Å
35	V	96.6	Very high	79	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	161.2	175	-58.5	0	0	0	0	108.8	P41 V42 V44 A53 V97	V35-P41 CarbonylContact O-C 3.45Å; V35-P41 WeakPolarHBondContact O-CA 3.28Å; V35-V42 HydrophobicContact CG2-CB 4.18Å; V35-V42 WeakPolarHBondContact CG2-O 3.31Å; V35-V42 PolarHBondContact N-O 3.23Å; V35-V42 PolarHBondContact O-N 2.96Å; V35-V44 HydrophobicContact CG1-CG2 4.33Å; V35-V44 HydrophobicContact CG2-CG1 4.4Å; V35-V44 HydrophobicContact CG2-CG2 4.18Å; V35-A53 HydrophobicContact CG2-CB 4.26Å; V35-V97 HydrophobicContact CG1-CB 3.83Å; V35-V97 HydrophobicContact CG1-CG1 4.44Å; V35-V97 HydrophobicContact CG1-CG2 4.01Å
36	F	97.4	Very high	82.1	Confident	62 Å²	62	69.1 Å²	69.1	27%	0.272	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.6	176.3	-57.5	-91.6	0	0	0	109.5	N40 P41 W101 N102 I103	F36-N40 CarbonylContact C-O 3.39Å; F36-N40 VanDerWaalsContact CA-O 3.26Å; F36-N40 WeakPolarHBondContact CA-O 3.29Å; F36-P41 HydrophobicContact CD1-CB 4.08Å; F36-P41 HydrophobicContact CE1-CB 3.91Å; F36-W101 PolarHBondContact N-O 3.48Å; F36-N102 HydrophobicContact CB-CB 4Å; F36-N102 WeakPolarHBondContact CB-OD1 3.46Å; F36-N102 CarbonylContact O-C 3.55Å; F36-N102 WeakPolarHBondContact O-CA 3.36Å; F36-I103 PolarHBondContact O-N 3.04Å
37	V	97.2	Very high	84.9	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	111.2	171.7	-174	0	0	0	0	107.4	G39 N40 V42 C54 A57 I59 I103 T105	V37-G39 PolarHBondContact O-N 2.82Å; V37-N40 PolarHBondContact N-O 3.47Å; V37-N40 WeakPolarHBondContact O-CB 3.42Å; V37-N40 PolarHBondContact O-N 3.19Å; V37-N40 PolarHBondContact O-ND2 3.4Å; V37-V42 HydrophobicContact CB-CG2 4.43Å; V37-V42 HydrophobicContact CG2-CG2 4.01Å; V37-C54 HydrophobicContact CG1-CB 4.43Å; V37-A57 HydrophobicContact CB-CB 3.94Å; V37-A57 HydrophobicContact CG1-CB 4.07Å; V37-A57 HydrophobicContact CG2-CB 4.03Å; V37-I59 HydrophobicContact CG1-CD1 3.55Å; V37-I103 HydrophobicContact CG2-CD1 4.13Å; V37-T105 HydrophobicContact CG1-CG2 3.83Å
38	D	95.5	Very high	87.6	Confident	60 Å²	60	62.3 Å²	62.3	32%	0.321	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	40.3	-172.3	-59.9	-53.2	0	0	0	112.6	N40 I59 I103 L104 T105	D38-N40 VanDerWaalsContact C-N 3.31Å; D38-N40 PolarHBondContact O-N 3.19Å; D38-I59 WeakPolarHBondContact OD2-CD1 3.23Å; D38-I103 PolarHBondContact N-O 3.37Å; D38-L104 WeakPolarHBondContact OD1-CA 3.45Å; D38-T105 PolarHBondContact OD1-N 2.88Å; D38-T105 WeakPolarHBondContact OD2-CB 3.3Å; D38-T105 WeakPolarHBondContact OD2-CG2 3.39Å; D38-T105 PolarHBondContact OD2-OG1 2.92Å
39	G	92.6	Very high	90.2	Very high	43 Å²	43	58.1 Å²	58.1	44%	0.443	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-7.9	-177.5	0	0	0	0	0	115.6	V37 N102	V37-G39 PolarHBondContact O-N 2.82Å; G39-N102 PolarHBondContact N-OD1 2.99Å
40	N	95	Very high	92.7	Very high	102 Å²	102	53.5 Å²	53.5	55%	0.545	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.6	177.8	-59.3	-57.7	0	0	0	111	F36 V37 D38	F36-N40 CarbonylContact C-O 3.39Å; F36-N40 VanDerWaalsContact CA-O 3.26Å; F36-N40 WeakPolarHBondContact CA-O 3.29Å; V37-N40 PolarHBondContact N-O 3.47Å; V37-N40 WeakPolarHBondContact O-CB 3.42Å; V37-N40 PolarHBondContact O-N 3.19Å; V37-N40 PolarHBondContact O-ND2 3.4Å; D38-N40 VanDerWaalsContact C-N 3.31Å; D38-N40 PolarHBondContact O-N 3.19Å
41	P	96.3	Very high	94.7	Very high	82 Å²	82	50.5 Å²	50.5	53%	0.532	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	137	179.4	28.5	-33.7	0	0	0	111.7	E34 V35 F36	E34-P41 HydrophobicContact CG-CB 4.48Å; V35-P41 CarbonylContact O-C 3.45Å; V35-P41 WeakPolarHBondContact O-CA 3.28Å; F36-P41 HydrophobicContact CD1-CB 4.08Å; F36-P41 HydrophobicContact CE1-CB 3.91Å
42	V	95.9	Very high	95.3	Very high	22 Å²	22	47.7 Å²	47.7	13%	0.133	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	130.2	178.8	-173.4	0	0	0	0	108.8	V35 V37 V44 K56 A57	V35-V42 HydrophobicContact CG2-CB 4.18Å; V35-V42 WeakPolarHBondContact CG2-O 3.31Å; V35-V42 PolarHBondContact N-O 3.23Å; V35-V42 PolarHBondContact O-N 2.96Å; V37-V42 HydrophobicContact CB-CG2 4.43Å; V37-V42 HydrophobicContact CG2-CG2 4.01Å; V42-V44 HydrophobicContact CG1-CG1 3.85Å; V42-K56 HydrophobicContact CG1-CB 4.14Å; V42-A57 HydrophobicContact CG2-CB 3.88Å
43	L	96.1	Very high	95.6	Very high	99 Å²	99	43 Å²	43	52%	0.518	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.3	174.7	-67.3	174	0	0	0	110	Q32 E34	Q32-L43 HydrophobicContact CB-CB 4.4Å; E34-L43 HydrophobicContact CB-CD2 3.89Å; E34-L43 HydrophobicContact CG-CD2 4.33Å
44	V	94.8	Very high	95.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	156.6	-178.1	-58.4	0	0	0	0	111.5	Q32 I33 V35 V42 T48 A53 K56 V97	Q32-V44 CarbonylContact C-O 3.5Å; Q32-V44 WeakPolarHBondContact CA-O 3.23Å; I33-V44 HydrophobicContact CD1-CG2 4.31Å; I33-V44 HydrophobicContact CG1-CG2 3.76Å; I33-V44 WeakPolarHBondContact CG1-O 3.11Å; I33-V44 PolarHBondContact N-O 3.4Å; I33-V44 PolarHBondContact O-N 3.13Å; V35-V44 HydrophobicContact CG1-CG2 4.33Å; V35-V44 HydrophobicContact CG2-CG1 4.4Å; V35-V44 HydrophobicContact CG2-CG2 4.18Å; V42-V44 HydrophobicContact CG1-CG1 3.85Å; V44-T48 HydrophobicContact CB-CG2 4.17Å; V44-T48 HydrophobicContact CG1-CG2 4.48Å; V44-A53 HydrophobicContact CG1-CB 3.97Å; V44-K56 HydrophobicContact CG1-CD 3.92Å; V44-V97 HydrophobicContact CG2-CG2 3.43Å; V44-V97 VanDerWaalsContact CG2-CG2 3.43Å
45	N	94.5	Very high	95.7	Very high	80 Å²	80	40.4 Å²	40.4	43%	0.428	24%	0.243	S	C	.	.			trans	-74.5	148.3	178	-64.2	-19.7	0	0	0	109.3	Q32 G47 T48	Q32-N45 PolarHBondContact NE2-OD1 3.37Å; N45-G47 PolarHBondContact O-N 3.45Å; N45-T48 PolarHBondContact N-OG1 2.98Å; N45-T48 VanDerWaalsContact O-CB 3.24Å; N45-T48 WeakPolarHBondContact O-CB 3.37Å; N45-T48 PolarHBondContact O-N 3Å; N45-T48 VanDerWaalsContact O-N 3.15Å; N45-T48 PolarHBondContact O-OG1 3.29Å
46	P	93.6	Very high	95.6	Very high	77 Å²	77	45.9 Å²	45.9	50%	0.5	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	141	172	-24.6	35.1	0	0	0	111.1	N31 T48	N31-P46 HydrophobicContact CB-CG 4.26Å; N31-P46 WeakPolarHBondContact O-CD 3.35Å; N31-P46 WeakPolarHBondContact O-CG 3.41Å; P46-T48 VanDerWaalsContact C-N 3.28Å; P46-T48 PolarHBondContact O-N 3.46Å
47	G	91.7	Very high	95.5	Very high	60 Å²	60	44.8 Å²	44.8	62%	0.619	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-10.4	-176.7	0	0	0	0	0	115.2	N45 T49	N45-G47 PolarHBondContact O-N 3.45Å; G47-T49 PolarHBondContact O-N 3.16Å
48	T	95.2	Very high	95.4	Very high	14 Å²	14	48.1 Å²	48.1	9%	0.086	30%	0.304	C	S	.	.			trans	-59	135.5	172.2	-54.4	0	0	0	0	110.1	V44 N45 P46 Q52 V97	V44-T48 HydrophobicContact CB-CG2 4.17Å; V44-T48 HydrophobicContact CG1-CG2 4.48Å; N45-T48 PolarHBondContact N-OG1 2.98Å; N45-T48 VanDerWaalsContact O-CB 3.24Å; N45-T48 WeakPolarHBondContact O-CB 3.37Å; N45-T48 PolarHBondContact O-N 3Å; N45-T48 VanDerWaalsContact O-N 3.15Å; N45-T48 PolarHBondContact O-OG1 3.29Å; P46-T48 VanDerWaalsContact C-N 3.28Å; P46-T48 PolarHBondContact O-N 3.46Å; T48-Q52 HydrophobicContact CG2-CB 3.48Å; T48-Q52 VanDerWaalsContact CG2-CB 3.48Å; T48-V97 VanDerWaalsContact O-CG2 3.31Å; T48-V97 WeakPolarHBondContact O-CG2 3.43Å; T48-V97 PolarHBondContact O-N 2.86Å
49	T	97.4	Very high	95.5	Very high	16 Å²	16	47.5 Å²	47.5	10%	0.098	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-75.3	160.2	177.2	67.1	0	0	0	0	111.6	G47 L51 Q52 A53 M95	G47-T49 PolarHBondContact O-N 3.16Å; T49-L51 PolarHBondContact O-N 3.33Å; T49-Q52 VanDerWaalsContact N-OE1 3.17Å; T49-Q52 PolarHBondContact O-N 2.67Å; T49-Q52 WeakPolarHBondContact OG1-CG 3.21Å; T49-Q52 PolarHBondContact OG1-N 3.46Å; T49-Q52 PolarHBondContact OG1-OE1 3.43Å; T49-A53 WeakPolarHBondContact O-CB 3.41Å; T49-A53 PolarHBondContact O-N 3.19Å; T49-M95 CarbonylContact C-O 3.58Å; T49-M95 WeakPolarHBondContact CA-O 3.05Å
50	V	97.3	Very high	95.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-55.9	-38.7	172.6	170.6	0	0	0	0	111.1	A53 C54 V81 I83 A92 M95 V97 W101 I103	V50-A53 PolarHBondContact O-N 3Å; V50-C54 PolarHBondContact O-N 2.94Å; V50-C54 PolarHBondContact O-SG 2.85Å; V50-C54 VanDerWaalsContact O-SG 3.33Å; V50-V81 HydrophobicContact CG1-CG1 3.74Å; V50-I83 HydrophobicContact CG2-CD1 4.42Å; V50-A92 HydrophobicContact CB-CB 4.07Å; V50-A92 HydrophobicContact CG1-CB 3.79Å; V50-A92 PolarHBondContact N-O 2.83Å; V50-M95 HydrophobicContact CG2-CB 4.1Å; V50-M95 HydrophobicContact CG2-CG 4.23Å; V50-M95 WeakPolarHBondContact CG2-O 3.44Å; V50-M95 PolarHBondContact N-O 2.86Å; V50-V97 HydrophobicContact CB-CG1 4.26Å; V50-V97 HydrophobicContact CG2-CG1 3.78Å; V50-W101 HydrophobicContact CG2-CE3 4.3Å; V50-W101 HydrophobicContact CG2-CZ3 4.03Å; V50-I103 HydrophobicContact CG1-CD1 3.85Å; V50-I103 HydrophobicContact CG1-CG1 3.99Å; V50-I103 HydrophobicContact CG1-CG2 3.76Å; V50-I103 HydrophobicContact CG2-CD1 4.47Å
51	L	97.3	Very high	95.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-50.4	177.4	-177.8	154.4	0	0	0	111.8	T49 A53 C54 E55 Y66 A92 C93	T49-L51 PolarHBondContact O-N 3.33Å; L51-A53 VanDerWaalsContact C-N 3.31Å; L51-A53 PolarHBondContact O-N 3.42Å; L51-C54 PolarHBondContact O-N 3.41Å; L51-E55 VanDerWaalsContact CD2-CD 3.46Å; L51-E55 HydrophobicContact CD2-CG 4.26Å; L51-E55 VanDerWaalsContact CD2-OE1 3.27Å; L51-E55 WeakPolarHBondContact CD2-OE1 3.04Å; L51-E55 PolarHBondContact O-N 2.83Å; L51-Y66 HydrophobicContact CD1-CD1 3.75Å; L51-Y66 HydrophobicContact CD1-CE1 4.02Å; L51-Y66 HydrophobicContact CD1-CG 4.05Å; L51-Y66 HydrophobicContact CD2-CD1 4.12Å; L51-Y66 HydrophobicContact CD2-CE1 3.53Å; L51-Y66 HydrophobicContact CG-CE1 4.45Å; L51-A92 HydrophobicContact CB-CB 4.07Å; L51-A92 WeakPolarHBondContact CB-O 3.24Å; L51-A92 PolarHBondContact N-O 2.93Å; L51-C93 HydrophobicContact CD1-CB 3.9Å
52	Q	96.4	Very high	95.8	Very high	70 Å²	70	43.8 Å²	43.8	33%	0.327	26%	0.261	S	S	.	.	H	α-helix	trans	-66	-33.4	178.8	-71.5	167.3	-20.3	0	0	112.3	T48 T49 E55 K56	T48-Q52 HydrophobicContact CG2-CB 3.48Å; T48-Q52 VanDerWaalsContact CG2-CB 3.48Å; T49-Q52 VanDerWaalsContact N-OE1 3.17Å; T49-Q52 PolarHBondContact O-N 2.67Å; T49-Q52 WeakPolarHBondContact OG1-CG 3.21Å; T49-Q52 PolarHBondContact OG1-N 3.46Å; T49-Q52 PolarHBondContact OG1-OE1 3.43Å; Q52-E55 PolarHBondContact O-N 2.89Å; Q52-K56 PolarHBondContact O-N 3.09Å
53	A	96.5	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.8	-40.5	173.7	0	0	0	0	0	111.9	V35 V44 T49 V50 L51 K56 A57 V97 I103	V35-A53 HydrophobicContact CG2-CB 4.26Å; V44-A53 HydrophobicContact CG1-CB 3.97Å; T49-A53 WeakPolarHBondContact O-CB 3.41Å; T49-A53 PolarHBondContact O-N 3.19Å; V50-A53 PolarHBondContact O-N 3Å; L51-A53 VanDerWaalsContact C-N 3.31Å; L51-A53 PolarHBondContact O-N 3.42Å; A53-K56 PolarHBondContact O-N 3.13Å; A53-A57 PolarHBondContact O-N 3.3Å; A53-V97 HydrophobicContact CB-CG1 3.77Å; A53-I103 HydrophobicContact CB-CD1 4.48Å
54	C	97.1	Very high	96	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.1	-39.4	173.1	-68.2	0	0	0	0	112.4	V37 V50 L51 K56 A57 G58 I59 I61	V37-C54 HydrophobicContact CG1-CB 4.43Å; V50-C54 PolarHBondContact O-N 2.94Å; V50-C54 PolarHBondContact O-SG 2.85Å; V50-C54 VanDerWaalsContact O-SG 3.33Å; L51-C54 PolarHBondContact O-N 3.41Å; C54-K56 VanDerWaalsContact C-N 3.34Å; C54-K56 PolarHBondContact O-N 2.86Å; C54-A57 CarbonylContact O-C 3.57Å; C54-A57 WeakPolarHBondContact O-CA 3.48Å; C54-A57 VanDerWaalsContact O-CB 3.27Å; C54-A57 WeakPolarHBondContact O-CB 3.47Å; C54-A57 PolarHBondContact O-N 3.39Å; C54-G58 PolarHBondContact O-N 3.18Å; C54-I59 CarbonylContact C-O 3.56Å; C54-I59 HydrophobicContact CB-CB 4.35Å; C54-I59 WeakPolarHBondContact CB-O 3.38Å; C54-I59 PolarHBondContact O-N 3.24Å; C54-I59 VanDerWaalsContact O-O 3.14Å; C54-I61 HydrophobicContact CB-CD1 3.89Å; C54-I61 HydrophobicContact CB-CG1 4.08Å
55	E	96	Very high	96.1	Very high	61 Å²	61	40.1 Å²	40.1	29%	0.285	24%	0.238	S	C	.	.	H	α-helix	trans	-63.5	-38.8	176.1	-74.4	176.4	169.3	0	0	112	L51 Q52 A57 G58 I59 R63	L51-E55 VanDerWaalsContact CD2-CD 3.46Å; L51-E55 HydrophobicContact CD2-CG 4.26Å; L51-E55 VanDerWaalsContact CD2-OE1 3.27Å; L51-E55 WeakPolarHBondContact CD2-OE1 3.04Å; L51-E55 PolarHBondContact O-N 2.83Å; Q52-E55 PolarHBondContact O-N 2.89Å; E55-A57 PolarHBondContact O-N 2.87Å; E55-G58 WeakPolarHBondContact O-CA 3.47Å; E55-G58 PolarHBondContact O-N 2.87Å; E55-I59 PolarHBondContact N-O 2.83Å; E55-R63 IonicContact OE1-CZ 2.7Å; E55-R63 IonicContact OE1-NH1 2.85Å; E55-R63 PolarHBondContact OE1-NH1 3.5Å
56	K	94.6	Very high	96.3	Very high	115 Å²	115	36.7 Å²	36.7	50%	0.5	22%	0.22	S	C	.	.	H	α-helix	trans	-61.5	-27.2	170	-79.3	-176.6	170.3	-174.3	0	113.4	V42 V44 Q52 A53 C54 G58	V42-K56 HydrophobicContact CG1-CB 4.14Å; V44-K56 HydrophobicContact CG1-CD 3.92Å; Q52-K56 PolarHBondContact O-N 3.09Å; A53-K56 PolarHBondContact O-N 3.13Å; C54-K56 VanDerWaalsContact C-N 3.34Å; C54-K56 PolarHBondContact O-N 2.86Å; K56-G58 VanDerWaalsContact C-N 3.27Å
57	A	94.8	Very high	96.5	Very high	40 Å²	40	34.3 Å²	34.3	33%	0.331	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	0.9	173.1	0	0	0	0	0	113.3	V37 V42 A53 C54 E55 I59	V37-A57 HydrophobicContact CB-CB 3.94Å; V37-A57 HydrophobicContact CG1-CB 4.07Å; V37-A57 HydrophobicContact CG2-CB 4.03Å; V42-A57 HydrophobicContact CG2-CB 3.88Å; A53-A57 PolarHBondContact O-N 3.3Å; C54-A57 CarbonylContact O-C 3.57Å; C54-A57 WeakPolarHBondContact O-CA 3.48Å; C54-A57 VanDerWaalsContact O-CB 3.27Å; C54-A57 WeakPolarHBondContact O-CB 3.47Å; C54-A57 PolarHBondContact O-N 3.39Å; E55-A57 PolarHBondContact O-N 2.87Å; A57-I59 VanDerWaalsContact C-N 3.34Å
58	G	95.2	Very high	96.5	Very high	69 Å²	69	35 Å²	35	71%	0.711	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	13	-175.5	0	0	0	0	0	114.5	C54 E55 K56	C54-G58 PolarHBondContact O-N 3.18Å; E55-G58 WeakPolarHBondContact O-CA 3.47Å; E55-G58 PolarHBondContact O-N 2.87Å; K56-G58 VanDerWaalsContact C-N 3.27Å
59	I	96.3	Very high	96.5	Very high	47 Å²	47	36.2 Å²	36.2	24%	0.241	19%	0.194	C	C	.	.			trans	-106.6	114.4	-180	-64.5	162.3	0	0	0	109.9	V37 D38 C54 E55 A57 T105	V37-I59 HydrophobicContact CG1-CD1 3.55Å; D38-I59 WeakPolarHBondContact OD2-CD1 3.23Å; C54-I59 CarbonylContact C-O 3.56Å; C54-I59 HydrophobicContact CB-CB 4.35Å; C54-I59 WeakPolarHBondContact CB-O 3.38Å; C54-I59 PolarHBondContact O-N 3.24Å; C54-I59 VanDerWaalsContact O-O 3.14Å; E55-I59 PolarHBondContact N-O 2.83Å; A57-I59 VanDerWaalsContact C-N 3.34Å; I59-T105 HydrophobicContact CD1-CG2 4.46Å; I59-T105 HydrophobicContact CG2-CG2 4.07Å
60	Q	96.6	Very high	96.5	Very high	141 Å²	141	36 Å²	36	66%	0.659	19%	0.192	S	C	*	.			trans	-88	114.9	176.3	-164.1	178.2	21.3	0	0	110.8
61	I	97.6	Very high	96.4	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	21%	0.21	C	C	.	.			trans	-80.6	135.9	175.4	-65.5	-176.3	0	0	0	109.6	C54 R63 C79 A92	C54-I61 HydrophobicContact CB-CD1 3.89Å; C54-I61 HydrophobicContact CB-CG1 4.08Å; I61-R63 PolarHBondContact O-N 3.19Å; I61-C79 HydrophobicContact CG2-CB 3.69Å; I61-A92 HydrophobicContact CD1-CB 3.59Å; I61-A92 HydrophobicContact CG2-CB 4.33Å
62	P	97.6	Very high	96.3	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.039	23%	0.23	C	C	.	.			trans	-62.6	135.6	177.9	26.3	-35.4	0	0	0	111.8	M78 C79 R114 Q143 F147	P62-M78 HydrophobicContact CB-CE 3.8Å; P62-M78 HydrophobicContact CB-CG 3.83Å; P62-M78 HydrophobicContact CG-CE 4.03Å; P62-M78 HydrophobicContact CG-CG 4.23Å; P62-M78 CarbonylContact O-C 3.54Å; P62-C79 WeakPolarHBondContact O-CA 3.43Å; P62-C79 PolarHBondContact O-N 3.48Å; P62-R114 HydrophobicContact CG-CG 4.16Å; P62-Q143 HydrophobicContact CB-CG 4.39Å; P62-F147 HydrophobicContact CB-CD2 3.74Å; P62-F147 HydrophobicContact CB-CE2 3.79Å; P62-F147 HydrophobicContact CB-CG 4.41Å; P62-F147 HydrophobicContact CB-CZ 4.49Å; P62-F147 HydrophobicContact CG-CD2 3.99Å; P62-F147 HydrophobicContact CG-CE2 4.08Å; P62-F147 HydrophobicContact CG-CG 4.21Å; P62-F147 HydrophobicContact CG-CZ 4.37Å
63	R	97.4	Very high	96.2	Very high	44 Å²	44	40.6 Å²	40.6	17%	0.166	23%	0.232	C	C	.	.			trans	-146.2	138.9	-169.5	66.3	-155.1	-166.6	157.5	10.1	111.1	E55 I61 D68 Q143	E55-R63 IonicContact OE1-CZ 2.7Å; E55-R63 IonicContact OE1-NH1 2.85Å; E55-R63 PolarHBondContact OE1-NH1 3.5Å; I61-R63 PolarHBondContact O-N 3.19Å; R63-D68 IonicContact CZ-OD2 3.46Å; R63-D68 IonicContact NH1-OD1 3.31Å; R63-D68 IonicContact NH1-OD2 3.56Å; R63-D68 PolarHBondContact NH1-OD2 3.38Å; R63-D68 VanDerWaalsContact NH1-OD2 3.09Å; R63-D68 IonicContact NH2-OD2 3.77Å; R63-D68 PolarHBondContact NH2-OD2 3.27Å; R63-Q143 PolarHBondContact O-NE2 3.22Å
64	F	98.1	Very high	96	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-122	-41.3	173.6	-72.5	-61.1	0	0	0	114.2	C76 M78 M118 L121 D139 L140 Q143 I178 R182 P228	F64-C76 HydrophobicContact CB-CB 4Å; F64-M78 HydrophobicContact CD2-CB 3.59Å; F64-M78 HydrophobicContact CD2-CG 3.76Å; F64-M78 HydrophobicContact CD2-SD 4.48Å; F64-M78 HydrophobicContact CE2-CB 3.98Å; F64-M78 HydrophobicContact CE2-CG 3.64Å; F64-M78 HydrophobicContact CE2-SD 3.92Å; F64-M118 HydrophobicContact CE2-CE 3.87Å; F64-M118 HydrophobicContact CZ-CE 3.71Å; F64-L121 HydrophobicContact CD2-CD1 3.51Å; F64-L121 HydrophobicContact CE2-CD1 3.28Å; F64-L121 HydrophobicContact CZ-CD1 4.14Å; F64-D139 HydrophobicContact CD1-CB 4.34Å; F64-D139 HydrophobicContact CE1-CB 4.06Å; F64-L140 HydrophobicContact CE1-CB 4Å; F64-L140 HydrophobicContact CE1-CD1 4Å; F64-L140 HydrophobicContact CE2-CD1 4.3Å; F64-L140 HydrophobicContact CZ-CB 4.35Å; F64-L140 HydrophobicContact CZ-CD1 3.59Å; F64-Q143 HydrophobicContact CZ-CB 4.11Å; F64-I178 HydrophobicContact CB-CD1 3.88Å; F64-I178 HydrophobicContact CD1-CD1 3.85Å; F64-I178 HydrophobicContact CD2-CD1 4.46Å; F64-I178 HydrophobicContact CG-CD1 3.82Å; F64-R182 WeakPolarHBondContact O-CD 3.35Å; F64-R182 PolarHBondContact O-NE 3.49Å; F64-R182 PolarHBondContact O-NH2 2.88Å; F64-P228 HydrophobicContact CD1-CB 3.94Å; F64-P228 HydrophobicContact CD1-CG 4.39Å
65	C	97.5	Very high	95.8	Very high	1 Å²	1	44 Å²	44	1%	0.007	25%	0.252	C	S	.	.	S	Bend	trans	-92.3	-33.3	179.8	73	0	0	0	0	112.3	H67 N75 C76 C180 R182 R185	C65-H67 PolarHBondContact O-N 3.4Å; C65-N75 WeakPolarHBondContact CB-OD1 3.43Å; C65-N75 PolarHBondContact SG-OD1 3.45Å; C65-N75 VanDerWaalsContact SG-OD1 3.35Å; C65-C76 HydrophobicContact CB-CB 4.12Å; C65-C76 PolarHBondContact N-SG 3.4Å; C65-C76 VanDerWaalsContact N-SG 3.39Å; C65-C76 PolarHBondContact SG-SG 2.87Å; C65-C180 HydrophobicContact CB-CB 4.07Å; C65-C180 WeakPolarHBondContact CB-O 3.47Å; C65-R182 VanDerWaalsContact O-CG 3.24Å; C65-R182 WeakPolarHBondContact O-CG 3.29Å; C65-R182 PolarHBondContact O-NE 2.91Å; C65-R185 PolarHBondContact O-NH1 3Å; C65-R185 PolarHBondContact O-NH2 2.97Å
66	Y	98	Very high	95.8	Very high	8 Å²	8	42 Å²	42	3%	0.031	24%	0.244	C	C	.	.			trans	-67.8	137.5	-178.3	175	-92.4	0	0	0	110.3	L51 D68 V72 C93 R182	L51-Y66 HydrophobicContact CD1-CD1 3.75Å; L51-Y66 HydrophobicContact CD1-CE1 4.02Å; L51-Y66 HydrophobicContact CD1-CG 4.05Å; L51-Y66 HydrophobicContact CD2-CD1 4.12Å; L51-Y66 HydrophobicContact CD2-CE1 3.53Å; L51-Y66 HydrophobicContact CG-CE1 4.45Å; Y66-D68 WeakPolarHBondContact CE1-OD1 3.23Å; Y66-D68 VanDerWaalsContact CZ-OD1 3.26Å; Y66-D68 PolarHBondContact OH-OD1 3.28Å; Y66-V72 HydrophobicContact CD2-CG2 4.33Å; Y66-V72 HydrophobicContact CE2-CG2 4.28Å; Y66-C93 HydrophobicContact CD2-CB 3.61Å; Y66-C93 HydrophobicContact CE2-CB 4.44Å; Y66-C93 HydrophobicContact CG-CB 3.81Å; Y66-R182 PolarHBondContact O-NE 2.97Å; Y66-R182 PolarHBondContact O-NH2 3.26Å
67	H	97	Very high	95.9	Very high	26 Å²	26	42.7 Å²	42.7	12%	0.12	24%	0.243	C	C	.	.			trans	-139	138.5	174	-156.5	-64	0	0	0	106.3	C65 R69 L70 E285	C65-H67 PolarHBondContact O-N 3.4Å; H67-R69 PolarHBondContact O-N 3.5Å; H67-R69 VanDerWaalsContact O-N 3.12Å; H67-L70 HydrophobicContact CB-CB 3.91Å; H67-L70 HydrophobicContact CB-CD1 3.79Å; H67-L70 HydrophobicContact CB-CG 3.84Å; H67-L70 PolarHBondContact O-N 3.31Å; H67-E285 IonicContact CE1-OE1 3.6Å; H67-E285 PolarHBondContact CE1-OE1 3.25Å; H67-E285 IonicContact CE1-OE2 2.92Å; H67-E285 PolarHBondContact CE1-OE2 3.13Å; H67-E285 IonicContact ND1-OE1 3.36Å; H67-E285 PolarHBondContact ND1-OE1 3.07Å; H67-E285 VanDerWaalsContact ND1-OE1 3.11Å; H67-E285 IonicContact NE2-OE1 2.71Å
68	D	93.6	Very high	96.1	Very high	75 Å²	75	40.8 Å²	40.8	40%	0.401	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.8	-172.7	-67.9	-59	0	0	0	113.4	R63 Y66	R63-D68 IonicContact CZ-OD2 3.46Å; R63-D68 IonicContact NH1-OD1 3.31Å; R63-D68 IonicContact NH1-OD2 3.56Å; R63-D68 PolarHBondContact NH1-OD2 3.38Å; R63-D68 VanDerWaalsContact NH1-OD2 3.09Å; R63-D68 IonicContact NH2-OD2 3.77Å; R63-D68 PolarHBondContact NH2-OD2 3.27Å; Y66-D68 WeakPolarHBondContact CE1-OD1 3.23Å; Y66-D68 VanDerWaalsContact CZ-OD1 3.26Å; Y66-D68 PolarHBondContact OH-OD1 3.28Å
69	R	94.9	Very high	96.2	Very high	40 Å²	40	37.6 Å²	37.6	15%	0.151	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	6.1	-178	-53.5	-168.7	-166.4	-88.1	-5.5	114.9	H67 E280 E284 E285 W286	H67-R69 PolarHBondContact O-N 3.5Å; H67-R69 VanDerWaalsContact O-N 3.12Å; R69-E280 IonicContact CZ-OE1 3.63Å; R69-E280 IonicContact CZ-OE2 2.8Å; R69-E280 IonicContact NH1-OE1 2.89Å; R69-E280 IonicContact NH1-OE2 3.16Å; R69-E280 PolarHBondContact NH1-OE2 3.4Å; R69-E280 IonicContact NH2-OE1 2.88Å; R69-E280 PolarHBondContact NH2-OE1 3.35Å; R69-E280 IonicContact NH2-OE2 2.67Å; R69-E280 PolarHBondContact NH2-OE2 3.49Å; R69-E284 WeakPolarHBondContact CD-OE2 3.21Å; R69-E284 VanDerWaalsContact CZ-CB 3.41Å; R69-E284 IonicContact CZ-OE1 3.86Å; R69-E284 VanDerWaalsContact NH1-CG 3.31Å; R69-E284 IonicContact NH1-OE1 2.71Å; R69-E284 PolarHBondContact NH1-OE1 3.37Å; R69-E284 IonicContact NH1-OE2 2.82Å; R69-E285 VanDerWaalsContact CD-CD 3.44Å; R69-E285 WeakPolarHBondContact CD-OE1 3.25Å; R69-E285 VanDerWaalsContact CG-OE1 3.24Å; R69-E285 WeakPolarHBondContact CG-OE1 3.41Å; R69-E285 IonicContact NE-OE1 3.88Å; R69-E285 PolarHBondContact NE-OE1 3.01Å; R69-E285 IonicContact NE-OE2 3.94Å; R69-E285 PolarHBondContact NE-OE2 2.99Å; R69-W286 HydrophobicContact CB-CZ2 4.05Å
70	L	96.3	Very high	96.3	Very high	11 Å²	11	36.8 Å²	36.8	6%	0.058	19%	0.191	C	C	.	.	S	Bend	trans	-116.8	156.2	175.8	-59.6	176.7	0	0	0	109.8	H67 R182 R185 F186 I190	H67-L70 HydrophobicContact CB-CB 3.91Å; H67-L70 HydrophobicContact CB-CD1 3.79Å; H67-L70 HydrophobicContact CB-CG 3.84Å; H67-L70 PolarHBondContact O-N 3.31Å; L70-R182 HydrophobicContact CD1-CB 4.34Å; L70-R182 HydrophobicContact CD1-CG 4.47Å; L70-R185 HydrophobicContact CB-CB 4.45Å; L70-R185 HydrophobicContact CD1-CB 4.38Å; L70-F186 HydrophobicContact CD1-CB 4.29Å; L70-F186 HydrophobicContact CD2-CB 4.06Å; L70-F186 HydrophobicContact CD2-CD2 4.32Å; L70-I190 HydrophobicContact CD2-CD1 3.59Å; L70-I190 HydrophobicContact CD2-CG1 4Å
71	S	95.4	Very high	96.4	Very high	52 Å²	52	30.1 Å²	30.1	36%	0.364	16%	0.159	S	C	.	.			trans	-55.9	149.3	175.2	70.2	0	0	0	0	112.5	A73 R185 E189	S71-A73 PolarHBondContact O-N 3.45Å; S71-R185 WeakPolarHBondContact O-CD 3.44Å; S71-R185 PolarHBondContact O-NH1 2.97Å; S71-R185 WeakPolarHBondContact OG-CD 3.03Å; S71-E189 WeakPolarHBondContact CB-OE1 3.47Å; S71-E189 PolarHBondContact N-OE2 3.47Å; S71-E189 PolarHBondContact OG-OE1 3.24Å
72	V	96.4	Very high	96.4	Very high	70 Å²	70	32 Å²	32	42%	0.424	17%	0.168	S	C	.	.			trans	-74.8	122.7	-179.9	-179.4	0	0	0	0	110.7	Y66 C93 A94	Y66-V72 HydrophobicContact CD2-CG2 4.33Å; Y66-V72 HydrophobicContact CE2-CG2 4.28Å; V72-C93 WeakPolarHBondContact CG1-O 3.36Å; V72-A94 HydrophobicContact CG1-CB 3.65Å
73	A	93.4	Very high	96.4	Very high	44 Å²	44	31.8 Å²	31.8	36%	0.364	17%	0.167	S	C	.	.			trans	-98.5	-55.1	-179.5	0	0	0	0	0	114.4	S71	S71-A73 PolarHBondContact O-N 3.45Å
74	G	92.3	Very high	96.2	Very high	7 Å²	7	33.8 Å²	33.8	7%	0.072	18%	0.178	C	C	.	.			trans	75.9	22.5	-179.1	0	0	0	0	0	115.9	R77	G74-R77 PolarHBondContact O-NE 3.43Å; G74-R77 PolarHBondContact O-NH2 2.53Å
75	N	92.2	Very high	96	Very high	66 Å²	66	42.9 Å²	42.9	35%	0.353	22%	0.217	S	C	.	.			trans	-82.3	-32.5	179.2	56.7	5.6	0	0	0	114.4	C65 Q179 C180 T181	C65-N75 WeakPolarHBondContact CB-OD1 3.43Å; C65-N75 PolarHBondContact SG-OD1 3.45Å; C65-N75 VanDerWaalsContact SG-OD1 3.35Å; N75-Q179 PolarHBondContact ND2-O 3.45Å; N75-C180 PolarHBondContact ND2-O 3.37Å; N75-C180 VanDerWaalsContact ND2-O 3.09Å; N75-C180 PolarHBondContact OD1-O 3.06Å; N75-T181 WeakPolarHBondContact ND2-CG2 3.23Å; N75-T181 PolarHBondContact ND2-OG1 2.87Å
76	C	96.3	Very high	95.8	Very high	18 Å²	18	44 Å²	44	12%	0.122	23%	0.227	C	C	.	.	S	Bend	trans	-84	-24.3	-173.9	72.4	0	0	0	0	115.6	F64 C65 M78 V117	F64-C76 HydrophobicContact CB-CB 4Å; C65-C76 HydrophobicContact CB-CB 4.12Å; C65-C76 PolarHBondContact N-SG 3.4Å; C65-C76 VanDerWaalsContact N-SG 3.39Å; C65-C76 PolarHBondContact SG-SG 2.87Å; C76-M78 PolarHBondContact O-N 2.95Å; C76-V117 VanDerWaalsContact O-CG1 3.23Å; C76-V117 WeakPolarHBondContact O-CG1 3.19Å
77	R	97.9	Very high	95.6	Very high	129 Å²	129	49.3 Å²	49.3	49%	0.487	26%	0.263	S	S	.	.			trans	55.8	14.4	-179.4	-51.8	-62.7	177.1	165.1	-6.3	117.2	G74 C79 L80 V117	G74-R77 PolarHBondContact O-NE 3.43Å; G74-R77 PolarHBondContact O-NH2 2.53Å; R77-C79 PolarHBondContact O-N 3.49Å; R77-L80 HydrophobicContact CB-CD1 4.05Å; R77-L80 HydrophobicContact CB-CG 4.21Å; R77-L80 WeakPolarHBondContact O-CG 3.36Å; R77-L80 PolarHBondContact O-N 3.29Å; R77-V117 HydrophobicContact CB-CG2 4.17Å
78	M	98.2	Very high	95.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.6	176.8	-171.2	62.5	-174.9	0	0	113.6	P62 F64 C76 L80 R114 V117 M118 Q143 F147	P62-M78 HydrophobicContact CB-CE 3.8Å; P62-M78 HydrophobicContact CB-CG 3.83Å; P62-M78 HydrophobicContact CG-CE 4.03Å; P62-M78 HydrophobicContact CG-CG 4.23Å; P62-M78 CarbonylContact O-C 3.54Å; F64-M78 HydrophobicContact CD2-CB 3.59Å; F64-M78 HydrophobicContact CD2-CG 3.76Å; F64-M78 HydrophobicContact CD2-SD 4.48Å; F64-M78 HydrophobicContact CE2-CB 3.98Å; F64-M78 HydrophobicContact CE2-CG 3.64Å; F64-M78 HydrophobicContact CE2-SD 3.92Å; C76-M78 PolarHBondContact O-N 2.95Å; M78-L80 PolarHBondContact O-N 2.93Å; M78-L80 VanDerWaalsContact O-N 3.15Å; M78-R114 HydrophobicContact CE-CB 4.1Å; M78-R114 HydrophobicContact CE-CG 4.41Å; M78-V117 HydrophobicContact CB-CG1 4.2Å; M78-V117 HydrophobicContact SD-CB 4.29Å; M78-V117 HydrophobicContact SD-CG1 3.99Å; M78-M118 HydrophobicContact CE-CE 3.55Å; M78-M118 HydrophobicContact SD-CE 4.09Å; M78-Q143 HydrophobicContact CE-CB 4.42Å; M78-F147 HydrophobicContact CE-CB 3.86Å; M78-F147 HydrophobicContact CE-CD2 4.48Å; M78-F147 HydrophobicContact CE-CG 4.49Å
79	C	97.8	Very high	95.7	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.014	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	20.7	-179.5	68.3	0	0	0	0	114.5	I61 P62 R77 V81 A92 C93	I61-C79 HydrophobicContact CG2-CB 3.69Å; P62-C79 WeakPolarHBondContact O-CA 3.43Å; P62-C79 PolarHBondContact O-N 3.48Å; R77-C79 PolarHBondContact O-N 3.49Å; C79-V81 PolarHBondContact O-N 3.03Å; C79-A92 HydrophobicContact CB-CB 4.15Å; C79-A92 VanDerWaalsContact O-CB 3.23Å; C79-A92 WeakPolarHBondContact O-CB 3.46Å; C79-A92 PolarHBondContact O-N 2.94Å; C79-A92 PolarHBondContact SG-N 3.48Å; C79-C93 PolarHBondContact SG-SG 3.19Å
80	L	98.3	Very high	95.7	Very high	31 Å²	31	53.1 Å²	53.1	16%	0.162	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	126.6	178.6	-77.1	170.9	0	0	0	110.5	R77 M78 P89 V90 A113 V117	R77-L80 HydrophobicContact CB-CD1 4.05Å; R77-L80 HydrophobicContact CB-CG 4.21Å; R77-L80 WeakPolarHBondContact O-CG 3.36Å; R77-L80 PolarHBondContact O-N 3.29Å; M78-L80 PolarHBondContact O-N 2.93Å; M78-L80 VanDerWaalsContact O-N 3.15Å; L80-P89 HydrophobicContact CB-CB 4.08Å; L80-P89 HydrophobicContact CD2-CB 4.19Å; L80-V90 WeakPolarHBondContact CA-O 3.33Å; L80-A113 HydrophobicContact CB-CB 3.83Å; L80-A113 HydrophobicContact CD1-CB 4.1Å; L80-V117 HydrophobicContact CD1-CG2 4.33Å
81	V	97.9	Very high	95.8	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	145.4	179.3	69.2	0	0	0	0	110.8	V50 C79 P89 V90 A92 I103 L104 T105	V50-V81 HydrophobicContact CG1-CG1 3.74Å; C79-V81 PolarHBondContact O-N 3.03Å; V81-P89 CarbonylContact O-C 3.56Å; V81-P89 VanDerWaalsContact O-CA 3.25Å; V81-P89 WeakPolarHBondContact O-CA 3.37Å; V81-V90 HydrophobicContact CG1-CG2 4.09Å; V81-V90 PolarHBondContact N-O 2.64Å; V81-V90 PolarHBondContact O-N 3.18Å; V81-A92 HydrophobicContact CG1-CB 3.86Å; V81-I103 HydrophobicContact CG1-CG2 4.09Å; V81-I103 HydrophobicContact CG2-CG2 3.66Å; V81-L104 WeakPolarHBondContact CG2-O 3.38Å; V81-T105 HydrophobicContact CG2-CG2 4.43Å
82	E	98.1	Very high	95.9	Very high	41 Å²	41	50.6 Å²	50.6	19%	0.192	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	133.5	172.9	-179.5	166.6	-147.5	0	0	111	L104 S107 K109 S110	E82-L104 HydrophobicContact CB-CB 4.36Å; E82-L104 HydrophobicContact CG-CD1 4.37Å; E82-L104 PolarHBondContact O-N 3.29Å; E82-S107 WeakPolarHBondContact CB-OG 3.4Å; E82-S107 WeakPolarHBondContact OE2-CB 3.43Å; E82-S107 PolarHBondContact OE2-OG 2.87Å; E82-K109 HydrophobicContact CB-CD 4.48Å; E82-K109 HydrophobicContact CG-CD 4.24Å; E82-K109 WeakPolarHBondContact OE1-CD 3.47Å; E82-K109 WeakPolarHBondContact OE2-CB 3.46Å; E82-S110 PolarHBondContact N-OG 2.78Å
83	I	97.2	Very high	95.9	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.7	165	-63.4	168	0	0	0	106.7	V50 K85 A86 V90 W101 N102	V50-I83 HydrophobicContact CG2-CD1 4.42Å; I83-K85 PolarHBondContact O-N 3.1Å; I83-A86 HydrophobicContact CB-CB 3.91Å; I83-A86 HydrophobicContact CG2-CB 4.48Å; I83-A86 VanDerWaalsContact O-CB 3.24Å; I83-A86 WeakPolarHBondContact O-CB 2.98Å; I83-A86 PolarHBondContact O-N 3.2Å; I83-V90 HydrophobicContact CD1-CB 4.35Å; I83-V90 HydrophobicContact CD1-CG1 4.08Å; I83-V90 HydrophobicContact CD1-CG2 3.37Å; I83-V90 HydrophobicContact CG1-CG2 3.91Å; I83-W101 HydrophobicContact CD1-CD2 4Å; I83-W101 HydrophobicContact CD1-CE3 3.47Å; I83-W101 VanDerWaalsContact CD1-CE3 3.47Å; I83-W101 HydrophobicContact CD1-CH2 3.68Å; I83-W101 HydrophobicContact CD1-CZ2 4.13Å; I83-W101 HydrophobicContact CD1-CZ3 3.33Å; I83-W101 HydrophobicContact CG1-CE3 4.42Å; I83-W101 HydrophobicContact CG2-CB 4.21Å; I83-W101 HydrophobicContact CG2-CD2 3.99Å; I83-W101 HydrophobicContact CG2-CE3 4.45Å; I83-W101 HydrophobicContact CG2-CG 3.94Å; I83-N102 WeakPolarHBondContact CA-O 3.34Å
84	E	94.4	Very high	96.1	Very high	86 Å²	86	47.6 Å²	47.6	40%	0.402	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	133.2	176.1	-161.8	-164.4	137.7	0	0	110.4	A86 N102	E84-A86 PolarHBondContact O-N 2.83Å; E84-N102 HydrophobicContact CB-CB 3.86Å; E84-N102 PolarHBondContact N-O 2.93Å; E84-N102 VanDerWaalsContact OE2-CB 3.32Å; E84-N102 WeakPolarHBondContact OE2-CB 3.23Å; E84-N102 PolarHBondContact OE2-ND2 3.21Å
85	K	91.9	Very high	96.3	Very high	191 Å²	191	50.5 Å²	50.5	83%	0.83	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	5.4	-176	-53.7	165.4	-173.7	165.9	0	115.1	I83	I83-K85 PolarHBondContact O-N 3.1Å
86	A	94.2	Very high	96.5	Very high	26 Å²	26	50.5 Å²	50.5	22%	0.215	26%	0.264	C	S	.	.			trans	-87.9	129.6	169.7	0	0	0	0	0	111.3	I83 E84 K88	I83-A86 HydrophobicContact CB-CB 3.91Å; I83-A86 HydrophobicContact CG2-CB 4.48Å; I83-A86 VanDerWaalsContact O-CB 3.24Å; I83-A86 WeakPolarHBondContact O-CB 2.98Å; I83-A86 PolarHBondContact O-N 3.2Å; E84-A86 PolarHBondContact O-N 2.83Å; A86-K88 VanDerWaalsContact C-N 3.26Å; A86-K88 PolarHBondContact O-N 2.75Å
87	P	93.4	Very high	96.4	Very high	119 Å²	119	50.1 Å²	50.1	77%	0.773	26%	0.261	S	S	*	.	S	Bend	trans	-69.1	-22.3	-175.3	26.7	-34.8	0	0	0	113.3	K109	P87-K109 VanDerWaalsContact C-NZ 3.34Å; P87-K109 PolarHBondContact O-NZ 2.83Å
88	K	95.9	Very high	96.3	Very high	160 Å²	160	49.1 Å²	49.1	70%	0.696	26%	0.264	S	S	*	.	S	Bend	trans	-134.7	151.4	-177.5	-64.2	-179.1	-178.6	178.3	0	110.7	A86	A86-K88 VanDerWaalsContact C-N 3.26Å; A86-K88 PolarHBondContact O-N 2.75Å
89	P	96.3	Very high	96.1	Very high	37 Å²	37	57 Å²	57	24%	0.24	30%	0.298	C	S	.	.			trans	-64.1	142.1	172.5	-17.1	33.9	0	0	0	110	L80 V81 K109 A113	L80-P89 HydrophobicContact CB-CB 4.08Å; L80-P89 HydrophobicContact CD2-CB 4.19Å; V81-P89 CarbonylContact O-C 3.56Å; V81-P89 VanDerWaalsContact O-CA 3.25Å; V81-P89 WeakPolarHBondContact O-CA 3.37Å; P89-K109 HydrophobicContact CG-CD 4.1Å; P89-K109 HydrophobicContact CG-CG 3.97Å; P89-A113 HydrophobicContact CG-CB 4.5Å
90	V	97	Very high	95.9	Very high	23 Å²	23	59.1 Å²	59.1	14%	0.139	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	153.4	179.5	-58.2	0	0	0	0	110.5	L80 V81 I83 A92 M95	L80-V90 WeakPolarHBondContact CA-O 3.33Å; V81-V90 HydrophobicContact CG1-CG2 4.09Å; V81-V90 PolarHBondContact N-O 2.64Å; V81-V90 PolarHBondContact O-N 3.18Å; I83-V90 HydrophobicContact CD1-CB 4.35Å; I83-V90 HydrophobicContact CD1-CG1 4.08Å; I83-V90 HydrophobicContact CD1-CG2 3.37Å; I83-V90 HydrophobicContact CG1-CG2 3.91Å; V90-A92 PolarHBondContact O-N 2.9Å; V90-M95 HydrophobicContact CB-CB 4.38Å; V90-M95 HydrophobicContact CB-CE 4.26Å; V90-M95 HydrophobicContact CB-CG 4.39Å; V90-M95 HydrophobicContact CG1-CE 4.18Å; V90-M95 HydrophobicContact CG2-CB 4.24Å; V90-M95 HydrophobicContact CG2-CG 4.27Å
91	A	97.6	Very high	95.8	Very high	10 Å²	10	60 Å²	60	8%	0.083	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	107.9	173	0	0	0	0	0	109.5	C93 A94 M95	A91-C93 PolarHBondContact O-N 3.33Å; A91-A94 PolarHBondContact O-N 2.97Å; A91-M95 WeakPolarHBondContact O-CB 3.16Å; A91-M95 PolarHBondContact O-N 2.84Å; A91-M95 VanDerWaalsContact O-N 3.09Å
92	A	97.5	Very high	95.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-31.6	-173.8	0	0	0	0	0	113.4	V50 L51 I61 C79 V81 V90 A94	V50-A92 HydrophobicContact CB-CB 4.07Å; V50-A92 HydrophobicContact CG1-CB 3.79Å; V50-A92 PolarHBondContact N-O 2.83Å; L51-A92 HydrophobicContact CB-CB 4.07Å; L51-A92 WeakPolarHBondContact CB-O 3.24Å; L51-A92 PolarHBondContact N-O 2.93Å; I61-A92 HydrophobicContact CD1-CB 3.59Å; I61-A92 HydrophobicContact CG2-CB 4.33Å; C79-A92 HydrophobicContact CB-CB 4.15Å; C79-A92 VanDerWaalsContact O-CB 3.23Å; C79-A92 WeakPolarHBondContact O-CB 3.46Å; C79-A92 PolarHBondContact O-N 2.94Å; C79-A92 PolarHBondContact SG-N 3.48Å; V81-A92 HydrophobicContact CG1-CB 3.86Å; V90-A92 PolarHBondContact O-N 2.9Å; A92-A94 VanDerWaalsContact C-N 3.28Å; A92-A94 PolarHBondContact O-N 3.48Å
93	C	96.6	Very high	95.8	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.007	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.3	-177.5	67.5	0	0	0	0	114.8	L51 Y66 V72 C79 A91	L51-C93 HydrophobicContact CD1-CB 3.9Å; Y66-C93 HydrophobicContact CD2-CB 3.61Å; Y66-C93 HydrophobicContact CE2-CB 4.44Å; Y66-C93 HydrophobicContact CG-CB 3.81Å; V72-C93 WeakPolarHBondContact CG1-O 3.36Å; C79-C93 PolarHBondContact SG-SG 3.19Å; A91-C93 PolarHBondContact O-N 3.33Å
94	A	96.6	Very high	95.8	Very high	50 Å²	50	61.4 Å²	61.4	41%	0.413	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-26.3	-174.6	0	0	0	0	0	113.1	V72 A91 A92 P96	V72-A94 HydrophobicContact CG1-CB 3.65Å; A91-A94 PolarHBondContact O-N 2.97Å; A92-A94 VanDerWaalsContact C-N 3.28Å; A92-A94 PolarHBondContact O-N 3.48Å; A94-P96 VanDerWaalsContact O-CD 3.24Å; A94-P96 WeakPolarHBondContact O-CD 3.13Å
95	M	96.7	Very high	95.9	Very high	69 Å²	69	57.8 Å²	57.8	34%	0.34	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-75.6	116.8	-177.2	-171	60.1	63.7	0	0	109.8	T49 V50 V90 A91 W101	T49-M95 CarbonylContact C-O 3.58Å; T49-M95 WeakPolarHBondContact CA-O 3.05Å; V50-M95 HydrophobicContact CG2-CB 4.1Å; V50-M95 HydrophobicContact CG2-CG 4.23Å; V50-M95 WeakPolarHBondContact CG2-O 3.44Å; V50-M95 PolarHBondContact N-O 2.86Å; V90-M95 HydrophobicContact CB-CB 4.38Å; V90-M95 HydrophobicContact CB-CE 4.26Å; V90-M95 HydrophobicContact CB-CG 4.39Å; V90-M95 HydrophobicContact CG1-CE 4.18Å; V90-M95 HydrophobicContact CG2-CB 4.24Å; V90-M95 HydrophobicContact CG2-CG 4.27Å; A91-M95 WeakPolarHBondContact O-CB 3.16Å; A91-M95 PolarHBondContact O-N 2.84Å; A91-M95 VanDerWaalsContact O-N 3.09Å; M95-W101 HydrophobicContact CG-CH2 3.61Å; M95-W101 HydrophobicContact CG-CZ3 3.6Å; M95-W101 HydrophobicContact SD-CH2 3.9Å; M95-W101 HydrophobicContact SD-CZ3 4.45Å
96	P	96.4	Very high	96.2	Very high	66 Å²	66	54 Å²	54	43%	0.429	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-67.6	145.1	169.9	29.6	-34.2	0	0	0	109.6	A94 W101	A94-P96 VanDerWaalsContact O-CD 3.24Å; A94-P96 WeakPolarHBondContact O-CD 3.13Å; P96-W101 VanDerWaalsContact O-CZ3 3.27Å; P96-W101 WeakPolarHBondContact O-CZ3 3.33Å
97	V	95.4	Very high	96.3	Very high	9 Å²	9	53.8 Å²	53.8	6%	0.055	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-74.2	144.6	178.2	-65	0	0	0	0	112.4	I33 V35 V44 T48 V50 A53 I103	I33-V97 HydrophobicContact CD1-CG2 3.49Å; I33-V97 VanDerWaalsContact CD1-CG2 3.49Å; I33-V97 WeakPolarHBondContact CD1-O 3.44Å; I33-V97 HydrophobicContact CG1-CG2 4.25Å; V35-V97 HydrophobicContact CG1-CB 3.83Å; V35-V97 HydrophobicContact CG1-CG1 4.44Å; V35-V97 HydrophobicContact CG1-CG2 4.01Å; V44-V97 HydrophobicContact CG2-CG2 3.43Å; V44-V97 VanDerWaalsContact CG2-CG2 3.43Å; T48-V97 VanDerWaalsContact O-CG2 3.31Å; T48-V97 WeakPolarHBondContact O-CG2 3.43Å; T48-V97 PolarHBondContact O-N 2.86Å; V50-V97 HydrophobicContact CB-CG1 4.26Å; V50-V97 HydrophobicContact CG2-CG1 3.78Å; A53-V97 HydrophobicContact CB-CG1 3.77Å; V97-I103 HydrophobicContact CG1-CD1 4.35Å
98	M	93.9	Very high	96.5	Very high	109 Å²	109	54.5 Å²	54.5	54%	0.537	29%	0.292	S	S	.	.			trans	-114	148.2	170.9	-64.5	-161.5	-85.2	0	0	110.9	G100 W101	M98-G100 PolarHBondContact O-N 3.24Å; M98-W101 HydrophobicContact CB-CD2 3.92Å; M98-W101 HydrophobicContact CB-CE3 4.46Å; M98-W101 HydrophobicContact CB-CG 4.19Å; M98-W101 HydrophobicContact CB-CZ2 4.27Å; M98-W101 HydrophobicContact CE-CH2 3.87Å; M98-W101 HydrophobicContact CE-CZ2 3.09Å; M98-W101 HydrophobicContact CG-CH2 4.4Å; M98-W101 HydrophobicContact CG-CZ2 4.15Å; M98-W101 VanDerWaalsContact O-CB 3.31Å; M98-W101 WeakPolarHBondContact O-CB 3.35Å; M98-W101 PolarHBondContact O-N 2.9Å; M98-W101 VanDerWaalsContact O-N 3.17Å; M98-W101 HydrophobicContact SD-CZ2 4.45Å
99	K	94.9	Very high	96.5	Very high	164 Å²	164	50.1 Å²	50.1	71%	0.713	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	132	-178.2	-176.3	178.1	178.8	176.8	0	111.3	I33 E34 W101	I33-K99 HydrophobicContact CB-CB 4.42Å; E34-K99 WeakPolarHBondContact O-CA 3.36Å; K99-W101 VanDerWaalsContact C-N 3.29Å; K99-W101 PolarHBondContact O-N 2.82Å
100	G	93.4	Very high	96.5	Very high	47 Å²	47	48.4 Å²	48.4	49%	0.485	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	5.6	177.3	0	0	0	0	0	114.9	E34 M98	E34-G100 PolarHBondContact O-N 3.28Å; M98-G100 PolarHBondContact O-N 3.24Å
101	W	96.9	Very high	96.6	Very high	50 Å²	50	53.5 Å²	53.5	19%	0.189	28%	0.279	C	S	.	.			trans	-65.6	140.5	169.8	-82.9	6.7	0	0	0	111.7	F36 V50 I83 M95 P96 M98 K99	F36-W101 PolarHBondContact N-O 3.48Å; V50-W101 HydrophobicContact CG2-CE3 4.3Å; V50-W101 HydrophobicContact CG2-CZ3 4.03Å; I83-W101 HydrophobicContact CD1-CD2 4Å; I83-W101 HydrophobicContact CD1-CE3 3.47Å; I83-W101 VanDerWaalsContact CD1-CE3 3.47Å; I83-W101 HydrophobicContact CD1-CH2 3.68Å; I83-W101 HydrophobicContact CD1-CZ2 4.13Å; I83-W101 HydrophobicContact CD1-CZ3 3.33Å; I83-W101 HydrophobicContact CG1-CE3 4.42Å; I83-W101 HydrophobicContact CG2-CB 4.21Å; I83-W101 HydrophobicContact CG2-CD2 3.99Å; I83-W101 HydrophobicContact CG2-CE3 4.45Å; I83-W101 HydrophobicContact CG2-CG 3.94Å; M95-W101 HydrophobicContact CG-CH2 3.61Å; M95-W101 HydrophobicContact CG-CZ3 3.6Å; M95-W101 HydrophobicContact SD-CH2 3.9Å; M95-W101 HydrophobicContact SD-CZ3 4.45Å; P96-W101 VanDerWaalsContact O-CZ3 3.27Å; P96-W101 WeakPolarHBondContact O-CZ3 3.33Å; M98-W101 HydrophobicContact CB-CD2 3.92Å; M98-W101 HydrophobicContact CB-CE3 4.46Å; M98-W101 HydrophobicContact CB-CG 4.19Å; M98-W101 HydrophobicContact CB-CZ2 4.27Å; M98-W101 HydrophobicContact CE-CH2 3.87Å; M98-W101 HydrophobicContact CE-CZ2 3.09Å; M98-W101 HydrophobicContact CG-CH2 4.4Å; M98-W101 HydrophobicContact CG-CZ2 4.15Å; M98-W101 VanDerWaalsContact O-CB 3.31Å; M98-W101 WeakPolarHBondContact O-CB 3.35Å; M98-W101 PolarHBondContact O-N 2.9Å; M98-W101 VanDerWaalsContact O-N 3.17Å; M98-W101 HydrophobicContact SD-CZ2 4.45Å; K99-W101 VanDerWaalsContact C-N 3.29Å; K99-W101 PolarHBondContact O-N 2.82Å
102	N	97.3	Very high	96.6	Very high	26 Å²	26	58.9 Å²	58.9	14%	0.139	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	111.9	171.8	-174.4	17.1	0	0	0	109.4	F36 G39 I83 E84	F36-N102 HydrophobicContact CB-CB 4Å; F36-N102 WeakPolarHBondContact CB-OD1 3.46Å; F36-N102 CarbonylContact O-C 3.55Å; F36-N102 WeakPolarHBondContact O-CA 3.36Å; G39-N102 PolarHBondContact N-OD1 2.99Å; I83-N102 WeakPolarHBondContact CA-O 3.34Å; E84-N102 HydrophobicContact CB-CB 3.86Å; E84-N102 PolarHBondContact N-O 2.93Å; E84-N102 VanDerWaalsContact OE2-CB 3.32Å; E84-N102 WeakPolarHBondContact OE2-CB 3.23Å; E84-N102 PolarHBondContact OE2-ND2 3.21Å
103	I	97.9	Very high	96.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	114.8	-174.5	-58	152.4	0	0	0	107.6	F36 V37 D38 V50 A53 V81 V97 T105	F36-I103 PolarHBondContact O-N 3.04Å; V37-I103 HydrophobicContact CG2-CD1 4.13Å; D38-I103 PolarHBondContact N-O 3.37Å; V50-I103 HydrophobicContact CG1-CD1 3.85Å; V50-I103 HydrophobicContact CG1-CG1 3.99Å; V50-I103 HydrophobicContact CG1-CG2 3.76Å; V50-I103 HydrophobicContact CG2-CD1 4.47Å; A53-I103 HydrophobicContact CB-CD1 4.48Å; V81-I103 HydrophobicContact CG1-CG2 4.09Å; V81-I103 HydrophobicContact CG2-CG2 3.66Å; V97-I103 HydrophobicContact CG1-CD1 4.35Å; I103-T105 HydrophobicContact CG2-CG2 4.07Å
104	L	97.6	Very high	96.7	Very high	46 Å²	46	60.5 Å²	60.5	24%	0.241	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	91	-177.4	-56.7	178.6	0	0	0	109.7	D38 V81 E82 N106 S110	D38-L104 WeakPolarHBondContact OD1-CA 3.45Å; V81-L104 WeakPolarHBondContact CG2-O 3.38Å; E82-L104 HydrophobicContact CB-CB 4.36Å; E82-L104 HydrophobicContact CG-CD1 4.37Å; E82-L104 PolarHBondContact O-N 3.29Å; L104-N106 VanDerWaalsContact C-N 3.3Å; L104-N106 PolarHBondContact O-N 3.49Å; L104-S110 PolarHBondContact O-OG 3.48Å
105	T	97.1	Very high	96.8	Very high	10 Å²	10	61.3 Å²	61.3	6%	0.061	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-21.8	-171	77.3	0	0	0	0	113.1	V37 D38 I59 V81 I103 R114	V37-T105 HydrophobicContact CG1-CG2 3.83Å; D38-T105 PolarHBondContact OD1-N 2.88Å; D38-T105 WeakPolarHBondContact OD2-CB 3.3Å; D38-T105 WeakPolarHBondContact OD2-CG2 3.39Å; D38-T105 PolarHBondContact OD2-OG1 2.92Å; I59-T105 HydrophobicContact CD1-CG2 4.46Å; I59-T105 HydrophobicContact CG2-CG2 4.07Å; V81-T105 HydrophobicContact CG2-CG2 4.43Å; I103-T105 HydrophobicContact CG2-CG2 4.07Å; T105-R114 VanDerWaalsContact O-CZ 3.28Å; T105-R114 PolarHBondContact O-NH1 2.91Å; T105-R114 PolarHBondContact O-NH2 2.88Å
106	N	96.6	Very high	96.8	Very high	111 Å²	111	59.1 Å²	59.1	59%	0.594	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	19.3	-176.1	-158.9	23.3	0	0	0	114.2	L104 R111	L104-N106 VanDerWaalsContact C-N 3.3Å; L104-N106 PolarHBondContact O-N 3.49Å; N106-R111 WeakPolarHBondContact OD1-CD 3.38Å
107	S	97.1	Very high	96.9	Very high	23 Å²	23	56.9 Å²	56.9	16%	0.161	29%	0.286	C	S	.	.	S	Bend	trans	-66.2	158.9	173.9	76.4	0	0	0	0	112	E82 K109 S110 R111	E82-S107 WeakPolarHBondContact CB-OG 3.4Å; E82-S107 WeakPolarHBondContact OE2-CB 3.43Å; E82-S107 PolarHBondContact OE2-OG 2.87Å; S107-K109 PolarHBondContact O-N 3.44Å; S107-S110 PolarHBondContact O-N 2.87Å; S107-S110 PolarHBondContact OG-N 2.86Å; S107-S110 PolarHBondContact OG-OG 3.19Å; S107-R111 WeakPolarHBondContact O-CG 3.47Å; S107-R111 PolarHBondContact O-N 3.24Å
108	E	97	Very high	97.1	Very high	133 Å²	133	56.5 Å²	56.5	62%	0.621	28%	0.284	S	S	*	.	H	α-helix	trans	-55.8	-38.2	176.1	-170.5	-172.1	159.1	0	0	111.7	R111 K112	E108-R111 PolarHBondContact O-N 3.43Å; E108-K112 HydrophobicContact CG-CD 4.23Å; E108-K112 WeakPolarHBondContact O-CB 3.42Å; E108-K112 WeakPolarHBondContact O-CG 3.32Å; E108-K112 PolarHBondContact O-N 2.85Å; E108-K112 VanDerWaalsContact OE1-CE 3.28Å; E108-K112 WeakPolarHBondContact OE1-CE 3.35Å; E108-K112 IonicContact OE1-NZ 3.95Å; E108-K112 PolarHBondContact OE1-NZ 2.99Å
109	K	96.4	Very high	97.3	Very high	69 Å²	69	53.5 Å²	53.5	30%	0.3	27%	0.269	S	S	.	.	H	α-helix	trans	-67.7	-43.6	179.5	-160.6	-175.6	-171.5	175.2	0	112	E82 P87 P89 S107 A113	E82-K109 HydrophobicContact CB-CD 4.48Å; E82-K109 HydrophobicContact CG-CD 4.24Å; E82-K109 WeakPolarHBondContact OE1-CD 3.47Å; E82-K109 WeakPolarHBondContact OE2-CB 3.46Å; P87-K109 VanDerWaalsContact C-NZ 3.34Å; P87-K109 PolarHBondContact O-NZ 2.83Å; P89-K109 HydrophobicContact CG-CD 4.1Å; P89-K109 HydrophobicContact CG-CG 3.97Å; S107-K109 PolarHBondContact O-N 3.44Å; K109-A113 WeakPolarHBondContact O-CB 3.48Å; K109-A113 PolarHBondContact O-N 3.17Å
110	S	97.5	Very high	97.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-43.6	174.9	-67.2	0	0	0	0	111.4	E82 L104 S107 A113 R114	E82-S110 PolarHBondContact N-OG 2.78Å; L104-S110 PolarHBondContact O-OG 3.48Å; S107-S110 PolarHBondContact O-N 2.87Å; S107-S110 PolarHBondContact OG-N 2.86Å; S107-S110 PolarHBondContact OG-OG 3.19Å; S110-A113 PolarHBondContact O-N 3.41Å; S110-R114 WeakPolarHBondContact O-CG 3.45Å; S110-R114 PolarHBondContact O-N 3.38Å; S110-R114 VanDerWaalsContact O-N 3.16Å
111	R	97.6	Very high	97.7	Very high	130 Å²	130	52.6 Å²	52.6	49%	0.491	25%	0.253	S	S	.	.	H	α-helix	trans	-64.7	-50.3	178	-70.2	176.7	59.9	179	-1.1	112.4	N106 S107 E108 A113 R114 E115	N106-R111 WeakPolarHBondContact OD1-CD 3.38Å; S107-R111 WeakPolarHBondContact O-CG 3.47Å; S107-R111 PolarHBondContact O-N 3.24Å; E108-R111 PolarHBondContact O-N 3.43Å; R111-A113 VanDerWaalsContact C-N 3.25Å; R111-A113 PolarHBondContact O-N 3.32Å; R111-R114 WeakPolarHBondContact O-CB 3.43Å; R111-R114 PolarHBondContact O-N 3.2Å; R111-R114 VanDerWaalsContact O-N 3.08Å; R111-E115 WeakPolarHBondContact O-CG 3.45Å; R111-E115 PolarHBondContact O-N 3.43Å
112	K	97.9	Very high	97.7	Very high	124 Å²	124	53 Å²	53	54%	0.539	26%	0.259	S	S	.	.	H	α-helix	trans	-58.8	-36.2	176.6	-79.3	178.8	170	171.2	0	112.7	E108 G116	E108-K112 HydrophobicContact CG-CD 4.23Å; E108-K112 WeakPolarHBondContact O-CB 3.42Å; E108-K112 WeakPolarHBondContact O-CG 3.32Å; E108-K112 PolarHBondContact O-N 2.85Å; E108-K112 VanDerWaalsContact OE1-CE 3.28Å; E108-K112 WeakPolarHBondContact OE1-CE 3.35Å; E108-K112 IonicContact OE1-NZ 3.95Å; E108-K112 PolarHBondContact OE1-NZ 2.99Å; K112-G116 PolarHBondContact O-N 3.29Å
113	A	97.9	Very high	97.7	Very high	21 Å²	21	52.4 Å²	52.4	17%	0.174	26%	0.257	C	S	.	.	H	α-helix	trans	-64.2	-43.2	175.5	0	0	0	0	0	111.9	L80 P89 K109 S110 R111 G116 V117	L80-A113 HydrophobicContact CB-CB 3.83Å; L80-A113 HydrophobicContact CD1-CB 4.1Å; P89-A113 HydrophobicContact CG-CB 4.5Å; K109-A113 WeakPolarHBondContact O-CB 3.48Å; K109-A113 PolarHBondContact O-N 3.17Å; S110-A113 PolarHBondContact O-N 3.41Å; R111-A113 VanDerWaalsContact C-N 3.25Å; R111-A113 PolarHBondContact O-N 3.32Å; A113-G116 PolarHBondContact O-N 3.46Å; A113-V117 WeakPolarHBondContact O-CG2 3.33Å; A113-V117 PolarHBondContact O-N 2.83Å
114	R	98.1	Very high	97.7	Very high	13 Å²	13	54 Å²	54	5%	0.049	27%	0.265	C	S	.	.	H	α-helix	trans	-65.1	-46.2	176.4	-68.4	167.3	-174.8	161.5	8.6	111.9	P62 M78 T105 S110 R111 G116 V117 M118 F147	P62-R114 HydrophobicContact CG-CG 4.16Å; M78-R114 HydrophobicContact CE-CB 4.1Å; M78-R114 HydrophobicContact CE-CG 4.41Å; T105-R114 VanDerWaalsContact O-CZ 3.28Å; T105-R114 PolarHBondContact O-NH1 2.91Å; T105-R114 PolarHBondContact O-NH2 2.88Å; S110-R114 WeakPolarHBondContact O-CG 3.45Å; S110-R114 PolarHBondContact O-N 3.38Å; S110-R114 VanDerWaalsContact O-N 3.16Å; R111-R114 WeakPolarHBondContact O-CB 3.43Å; R111-R114 PolarHBondContact O-N 3.2Å; R111-R114 VanDerWaalsContact O-N 3.08Å; R114-G116 VanDerWaalsContact C-N 3.33Å; R114-G116 PolarHBondContact O-N 2.97Å; R114-V117 PolarHBondContact O-N 3.48Å; R114-M118 WeakPolarHBondContact O-CB 3.39Å; R114-M118 PolarHBondContact O-N 3.24Å; R114-F147 HydrophobicContact CB-CB 4.31Å
115	E	98.2	Very high	97.8	Very high	68 Å²	68	53 Å²	53	32%	0.318	26%	0.259	S	S	.	.	H	α-helix	trans	-57.5	-46.1	176.4	-72.1	170.3	-167.9	0	0	111.2	R111 M118 E119	R111-E115 WeakPolarHBondContact O-CG 3.45Å; R111-E115 PolarHBondContact O-N 3.43Å; E115-M118 PolarHBondContact O-N 2.8Å; E115-E119 WeakPolarHBondContact O-CB 3.31Å; E115-E119 PolarHBondContact O-N 2.66Å
116	G	98.2	Very high	97.8	Very high	22 Å²	22	53.3 Å²	53.3	23%	0.227	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-43.7	178.2	0	0	0	0	0	113.4	K112 A113 R114 E119 F120	K112-G116 PolarHBondContact O-N 3.29Å; A113-G116 PolarHBondContact O-N 3.46Å; R114-G116 VanDerWaalsContact C-N 3.33Å; R114-G116 PolarHBondContact O-N 2.97Å; G116-E119 PolarHBondContact O-N 3.1Å; G116-F120 WeakPolarHBondContact O-CD2 3.03Å; G116-F120 PolarHBondContact O-N 3.45Å; G116-F120 VanDerWaalsContact O-N 3.15Å
117	V	98.4	Very high	97.9	Very high	19 Å²	19	55 Å²	55	12%	0.115	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-44.6	176.5	170.3	0	0	0	0	111.1	C76 R77 M78 L80 A113 R114 E119 F120 L121	C76-V117 VanDerWaalsContact O-CG1 3.23Å; C76-V117 WeakPolarHBondContact O-CG1 3.19Å; R77-V117 HydrophobicContact CB-CG2 4.17Å; M78-V117 HydrophobicContact CB-CG1 4.2Å; M78-V117 HydrophobicContact SD-CB 4.29Å; M78-V117 HydrophobicContact SD-CG1 3.99Å; L80-V117 HydrophobicContact CD1-CG2 4.33Å; A113-V117 WeakPolarHBondContact O-CG2 3.33Å; A113-V117 PolarHBondContact O-N 2.83Å; R114-V117 PolarHBondContact O-N 3.48Å; V117-E119 VanDerWaalsContact C-N 3.31Å; V117-E119 PolarHBondContact O-N 2.95Å; V117-F120 PolarHBondContact O-N 2.74Å; V117-L121 HydrophobicContact CG1-CD1 3.98Å; V117-L121 HydrophobicContact CG1-CG 4.39Å; V117-L121 WeakPolarHBondContact O-CG 3.46Å; V117-L121 PolarHBondContact O-N 2.87Å
118	M	98.5	Very high	97.9	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-61.2	-41.3	178.2	-173.4	59.8	65.8	0	0	111.6	F64 M78 R114 E115 F120 L121 L122 L140 Q143	F64-M118 HydrophobicContact CE2-CE 3.87Å; F64-M118 HydrophobicContact CZ-CE 3.71Å; M78-M118 HydrophobicContact CE-CE 3.55Å; M78-M118 HydrophobicContact SD-CE 4.09Å; R114-M118 WeakPolarHBondContact O-CB 3.39Å; R114-M118 PolarHBondContact O-N 3.24Å; E115-M118 PolarHBondContact O-N 2.8Å; M118-F120 PolarHBondContact O-N 3.15Å; M118-L121 PolarHBondContact O-N 3.48Å; M118-L122 HydrophobicContact CG-CD1 3.87Å; M118-L122 HydrophobicContact CG-CG 4.37Å; M118-L122 WeakPolarHBondContact O-CB 2.88Å; M118-L122 WeakPolarHBondContact O-CG 3.48Å; M118-L122 PolarHBondContact O-N 2.95Å; M118-L122 HydrophobicContact SD-CD1 4.06Å; M118-L122 HydrophobicContact SD-CG 4.14Å; M118-L140 HydrophobicContact CE-CD1 4.39Å; M118-L140 HydrophobicContact SD-CD1 3.66Å; M118-Q143 VanDerWaalsContact CE-C 3.49Å; M118-Q143 HydrophobicContact CE-CB 3.83Å
119	E	98.3	Very high	98	Very high	47 Å²	47	52.8 Å²	52.8	22%	0.22	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-44.1	175.4	-173.7	178.3	-166.4	0	0	112	E115 G116 V117 L121 L122 A123 R153	E115-E119 WeakPolarHBondContact O-CB 3.31Å; E115-E119 PolarHBondContact O-N 2.66Å; G116-E119 PolarHBondContact O-N 3.1Å; V117-E119 VanDerWaalsContact C-N 3.31Å; V117-E119 PolarHBondContact O-N 2.95Å; E119-L121 PolarHBondContact O-N 2.95Å; E119-L122 PolarHBondContact O-N 3.21Å; E119-A123 WeakPolarHBondContact O-CB 3.47Å; E119-A123 PolarHBondContact O-N 3.1Å; E119-R153 VanDerWaalsContact CD-NH2 3.29Å; E119-R153 IonicContact OE1-CZ 2.61Å; E119-R153 IonicContact OE1-NE 3.62Å; E119-R153 PolarHBondContact OE1-NE 3.16Å; E119-R153 IonicContact OE1-NH2 3.41Å; E119-R153 PolarHBondContact OE1-NH2 3.08Å; E119-R153 VanDerWaalsContact OE1-NH2 3.13Å; E119-R153 IonicContact OE2-CZ 3.66Å; E119-R153 IonicContact OE2-NE 2.89Å; E119-R153 IonicContact OE2-NH2 3.6Å; E119-R153 PolarHBondContact OE2-NH2 2.67Å
120	F	98.1	Very high	98	Very high	164 Å²	164	54.5 Å²	54.5	72%	0.719	28%	0.283	S	S	*	.	H	α-helix	trans	-64.4	-39.2	176.4	-70.7	-57.2	0	0	0	113	G116 V117 M118 L122 A123	G116-F120 WeakPolarHBondContact O-CD2 3.03Å; G116-F120 PolarHBondContact O-N 3.45Å; G116-F120 VanDerWaalsContact O-N 3.15Å; V117-F120 PolarHBondContact O-N 2.74Å; M118-F120 PolarHBondContact O-N 3.15Å; F120-L122 VanDerWaalsContact C-N 3.35Å; F120-A123 PolarHBondContact O-N 3.47Å
121	L	98.1	Very high	98	Very high	28 Å²	28	59.2 Å²	59.2	15%	0.147	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-43.3	176.6	-69.1	170.6	0	0	0	111	F64 V117 M118 E119 H125 L140 I178	F64-L121 HydrophobicContact CD2-CD1 3.51Å; F64-L121 HydrophobicContact CE2-CD1 3.28Å; F64-L121 HydrophobicContact CZ-CD1 4.14Å; V117-L121 HydrophobicContact CG1-CD1 3.98Å; V117-L121 HydrophobicContact CG1-CG 4.39Å; V117-L121 WeakPolarHBondContact O-CG 3.46Å; V117-L121 PolarHBondContact O-N 2.87Å; M118-L121 PolarHBondContact O-N 3.48Å; E119-L121 PolarHBondContact O-N 2.95Å; L121-H125 WeakPolarHBondContact O-CB 3.24Å; L121-L140 HydrophobicContact CB-CD1 4.17Å; L121-L140 HydrophobicContact CD1-CD1 4.3Å; L121-I178 HydrophobicContact CD2-CB 3.98Å; L121-I178 HydrophobicContact CD2-CD1 4.36Å; L121-I178 HydrophobicContact CD2-CG2 4.23Å
122	L	98.2	Very high	98	Very high	59 Å²	59	53.5 Å²	53.5	31%	0.309	29%	0.287	S	S	.	.	H	α-helix	trans	-79.8	-18.3	-178.8	-63.8	175.6	0	0	0	113.9	M118 E119 F120 N124 H125 L140 S144 K158	M118-L122 HydrophobicContact CG-CD1 3.87Å; M118-L122 HydrophobicContact CG-CG 4.37Å; M118-L122 WeakPolarHBondContact O-CB 2.88Å; M118-L122 WeakPolarHBondContact O-CG 3.48Å; M118-L122 PolarHBondContact O-N 2.95Å; M118-L122 HydrophobicContact SD-CD1 4.06Å; M118-L122 HydrophobicContact SD-CG 4.14Å; E119-L122 PolarHBondContact O-N 3.21Å; F120-L122 VanDerWaalsContact C-N 3.35Å; L122-N124 VanDerWaalsContact C-N 3.33Å; L122-N124 PolarHBondContact O-N 3.24Å; L122-H125 HydrophobicContact CD2-CB 4.49Å; L122-H125 PolarHBondContact O-N 2.84Å; L122-L140 HydrophobicContact CD2-CD1 4.22Å; L122-L140 HydrophobicContact CD2-CD2 4.1Å; L122-L140 HydrophobicContact CD2-CG 4.1Å; L122-S144 WeakPolarHBondContact CD1-OG 3.38Å; L122-K158 PolarHBondContact O-NZ 2.76Å
123	A	97.6	Very high	97.9	Very high	13 Å²	13	47.7 Å²	47.7	11%	0.107	26%	0.262	C	S	.	.	H	α-helix	trans	-55.3	-47.7	-179.7	0	0	0	0	0	111.7	E119 F120 F154 K158	E119-A123 WeakPolarHBondContact O-CB 3.47Å; E119-A123 PolarHBondContact O-N 3.1Å; F120-A123 PolarHBondContact O-N 3.47Å; A123-F154 HydrophobicContact CB-CB 4.42Å; A123-F154 HydrophobicContact CB-CD2 4.05Å; A123-F154 HydrophobicContact CB-CE2 4.48Å; A123-F154 HydrophobicContact CB-CG 4.14Å; A123-F154 VanDerWaalsContact O-CD1 3.26Å; A123-F154 WeakPolarHBondContact O-CD1 3.44Å; A123-F154 WeakPolarHBondContact O-CE1 3.44Å; A123-K158 WeakPolarHBondContact O-CG 3.43Å; A123-K158 PolarHBondContact O-NZ 3.03Å
124	N	97.6	Very high	97.8	Very high	32 Å²	32	48 Å²	48	17%	0.171	26%	0.26	C	S	.	.	S	Bend	trans	-105.8	2.4	179.7	-82.7	-44	0	0	0	114.4	L122 R159 N203	L122-N124 VanDerWaalsContact C-N 3.33Å; L122-N124 PolarHBondContact O-N 3.24Å; N124-R159 HydrophobicContact CB-CG 4.1Å; N124-R159 PolarHBondContact OD1-N 2.77Å; N124-N203 PolarHBondContact ND2-ND2 3.19Å; N124-N203 PolarHBondContact ND2-OD1 2.91Å
125	H	98.4	Very high	97.7	Very high	25 Å²	25	47.7 Å²	47.7	12%	0.116	26%	0.261	C	S	.	.	S	Bend	trans	-75	139	175.8	-163.2	79.8	0	0	0	111.1	L121 L122 K158 R176	L121-H125 WeakPolarHBondContact O-CB 3.24Å; L122-H125 HydrophobicContact CD2-CB 4.49Å; L122-H125 PolarHBondContact O-N 2.84Å; H125-K158 WeakPolarHBondContact O-CD 3.1Å; H125-K158 WeakPolarHBondContact O-CE 3.18Å; H125-K158 PolarHBondContact O-NZ 3.17Å; H125-R176 PolarHBondContact CE1-O 3.42Å; H125-R176 PolarHBondContact ND1-O 2.88Å
126	P	98.2	Very high	97.6	Very high	18 Å²	18	46.1 Å²	46.1	12%	0.117	26%	0.263	C	S	.	.			trans	-73.2	157.4	-178.7	31.4	-37.1	0	0	0	112	D128 T175 R176	P126-D128 HydrophobicContact CB-CB 4.34Å; P126-D128 HydrophobicContact CG-CB 4.22Å; P126-D128 PolarHBondContact O-N 3.36Å; P126-T175 HydrophobicContact CB-CG2 3.93Å; P126-T175 VanDerWaalsContact CD-O 3.25Å; P126-T175 WeakPolarHBondContact CD-O 3.39Å; P126-T175 HydrophobicContact CG-CG2 3.85Å; P126-R176 HydrophobicContact CG-CB 4.36Å; P126-R176 HydrophobicContact CG-CG 3.58Å
127	L	97.9	Very high	97.5	Very high	147 Å²	147	47.1 Å²	47.1	77%	0.77	26%	0.262	S	S	*	.	S	Bend	trans	-84.5	48	176.4	-65.9	97.2	0	0	0	111.8	K158	L127-K158 HydrophobicContact CD1-CD 4.32Å
128	D	97.9	Very high	97.5	Very high	41 Å²	41	46.7 Å²	46.7	22%	0.219	26%	0.26	C	S	.	.			trans	-91.7	-1.2	-170	-87.9	14.8	0	0	0	114	P126 P130 I131 C132 R176	P126-D128 HydrophobicContact CB-CB 4.34Å; P126-D128 HydrophobicContact CG-CB 4.22Å; P126-D128 PolarHBondContact O-N 3.36Å; D128-P130 VanDerWaalsContact C-N 3.25Å; D128-P130 WeakPolarHBondContact O-CD 3.35Å; D128-I131 HydrophobicContact CB-CG1 4.11Å; D128-I131 CarbonylContact O-C 3.58Å; D128-I131 VanDerWaalsContact O-CG1 3.26Å; D128-I131 WeakPolarHBondContact O-CG1 3.27Å; D128-I131 PolarHBondContact O-N 2.97Å; D128-C132 VanDerWaalsContact O-CB 3.27Å; D128-C132 WeakPolarHBondContact O-CB 3.24Å; D128-C132 PolarHBondContact O-N 3Å; D128-R176 HydrophobicContact CB-CG 4.48Å; D128-R176 IonicContact OD2-CZ 3Å; D128-R176 VanDerWaalsContact OD2-CZ 3.31Å; D128-R176 IonicContact OD2-NE 2.8Å; D128-R176 PolarHBondContact OD2-NE 3.23Å; D128-R176 IonicContact OD2-NH2 3.61Å; D128-R176 PolarHBondContact OD2-NH2 2.97Å
129	C	97.9	Very high	97.5	Very high	67 Å²	67	49.4 Å²	49.4	45%	0.453	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	-40.6	-173	-57.9	0	0	0	0	114.4	I131 C132	C129-I131 PolarHBondContact O-N 2.87Å; C129-C132 PolarHBondContact O-N 3.05Å
130	P	97.3	Very high	97.5	Very high	106 Å²	106	47.3 Å²	47.3	69%	0.688	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-33.1	178.2	-22.5	35.2	0	0	0	114.8	D128 R242	D128-P130 VanDerWaalsContact C-N 3.25Å; D128-P130 WeakPolarHBondContact O-CD 3.35Å; P130-R242 PolarHBondContact O-NH2 3.32Å
131	I	97.1	Very high	97.5	Very high	98 Å²	98	43.1 Å²	43.1	50%	0.503	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-0.2	-178.6	63	163.8	0	0	0	112.4	D128 C129 F239	D128-I131 HydrophobicContact CB-CG1 4.11Å; D128-I131 CarbonylContact O-C 3.58Å; D128-I131 VanDerWaalsContact O-CG1 3.26Å; D128-I131 WeakPolarHBondContact O-CG1 3.27Å; D128-I131 PolarHBondContact O-N 2.97Å; C129-I131 PolarHBondContact O-N 2.87Å; I131-F239 VanDerWaalsContact O-CE1 3.28Å; I131-F239 WeakPolarHBondContact O-CE1 3.31Å
132	C	97.6	Very high	97.5	Very high	10 Å²	10	45.6 Å²	45.6	7%	0.068	26%	0.26	C	S	.	.			trans	-84.1	124.3	-179.8	-179	0	0	0	0	110.1	D128 C129 Q134 G135 R242	D128-C132 VanDerWaalsContact O-CB 3.27Å; D128-C132 WeakPolarHBondContact O-CB 3.24Å; D128-C132 PolarHBondContact O-N 3Å; C129-C132 PolarHBondContact O-N 3.05Å; C132-Q134 PolarHBondContact O-N 3.41Å; C132-G135 PolarHBondContact O-N 2.92Å; C132-R242 PolarHBondContact O-NH1 2.77Å
133	D	95.6	Very high	97.5	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-37.3	178.8	-67.9	-45.5	0	0	0	112.6	G135 T233 F239 R242	D133-G135 PolarHBondContact O-N 2.82Å; D133-T233 HydrophobicContact CB-CG2 3.98Å; D133-T233 PolarHBondContact OD2-OG1 2.89Å; D133-F239 WeakPolarHBondContact OD1-CD1 3.47Å; D133-F239 PolarHBondContact OD1-N 3.43Å; D133-R242 VanDerWaalsContact CA-NH1 3.28Å; D133-R242 PolarHBondContact O-NH1 3.06Å
134	Q	96	Very high	97.5	Very high	26 Å²	26	44.3 Å²	44.3	12%	0.121	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.9	178.1	-155.4	74	14.6	0	0	113.4	C132 G136 E137 C138	C132-Q134 PolarHBondContact O-N 3.41Å; Q134-G136 PolarHBondContact O-N 2.73Å; Q134-E137 HydrophobicContact CG-CG 4.24Å; Q134-E137 PolarHBondContact NE2-O 3.22Å; Q134-E137 VanDerWaalsContact NE2-O 3.07Å; Q134-E137 CarbonylContact O-C 3.43Å; Q134-E137 PolarHBondContact O-N 3.43Å; Q134-C138 HydrophobicContact CB-CB 4.36Å; Q134-C138 HydrophobicContact CG-CB 3.89Å; Q134-C138 WeakPolarHBondContact O-CB 3.49Å; Q134-C138 PolarHBondContact O-N 2.75Å; Q134-C138 VanDerWaalsContact O-N 3.14Å
135	G	96.4	Very high	97.6	Very high	8 Å²	8	49.8 Å²	49.8	8%	0.082	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	122.8	177.9	0	0	0	0	0	110.8	C132 D133 W244	C132-G135 PolarHBondContact O-N 2.92Å; D133-G135 PolarHBondContact O-N 2.82Å; G135-W244 VanDerWaalsContact O-CZ3 3.29Å; G135-W244 WeakPolarHBondContact O-CZ3 3.34Å
136	G	96.3	Very high	97.5	Very high	34 Å²	34	55.5 Å²	55.5	35%	0.351	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	-7.6	-173.5	0	0	0	0	0	116.1	Q134	Q134-G136 PolarHBondContact O-N 2.73Å
137	E	96.7	Very high	97.4	Very high	43 Å²	43	58 Å²	58	20%	0.201	32%	0.317	C	S	.	.	S	Bend	trans	-142.2	31.3	172.1	64.8	-177	165.9	0	0	111.4	Q134 P243 R273	Q134-E137 HydrophobicContact CG-CG 4.24Å; Q134-E137 PolarHBondContact NE2-O 3.22Å; Q134-E137 VanDerWaalsContact NE2-O 3.07Å; Q134-E137 CarbonylContact O-C 3.43Å; Q134-E137 PolarHBondContact O-N 3.43Å; E137-P243 HydrophobicContact CB-CB 3.98Å; E137-P243 HydrophobicContact CB-CG 3.99Å; E137-P243 HydrophobicContact CG-CB 3.99Å; E137-P243 HydrophobicContact CG-CG 3.88Å; E137-R273 VanDerWaalsContact CD-NH2 3.34Å; E137-R273 IonicContact OE1-CZ 3.67Å; E137-R273 IonicContact OE1-NH1 3.8Å; E137-R273 PolarHBondContact OE1-NH1 3.39Å; E137-R273 IonicContact OE1-NH2 2.78Å; E137-R273 PolarHBondContact OE1-NH2 2.88Å; E137-R273 VanDerWaalsContact OE1-NH2 3.17Å; E137-R273 IonicContact OE2-CZ 3.82Å; E137-R273 IonicContact OE2-NH1 3.72Å; E137-R273 IonicContact OE2-NH2 2.86Å; E137-R273 PolarHBondContact OE2-NH2 3.28Å
138	C	98.3	Very high	97.4	Very high	11 Å²	11	51.8 Å²	51.8	7%	0.074	29%	0.289	C	S	.	.			trans	-97.9	119.5	-175.4	179.5	0	0	0	0	109.6	Q134 L140 Q141 D142	Q134-C138 HydrophobicContact CB-CB 4.36Å; Q134-C138 HydrophobicContact CG-CB 3.89Å; Q134-C138 WeakPolarHBondContact O-CB 3.49Å; Q134-C138 PolarHBondContact O-N 2.75Å; Q134-C138 VanDerWaalsContact O-N 3.14Å; C138-L140 PolarHBondContact O-N 3.07Å; C138-L140 VanDerWaalsContact O-N 3.13Å; C138-Q141 HydrophobicContact CB-CB 3.84Å; C138-Q141 WeakPolarHBondContact O-CB 3.45Å; C138-Q141 PolarHBondContact O-N 2.92Å; C138-D142 PolarHBondContact O-N 3.18Å
139	D	97.9	Very high	97.3	Very high	58 Å²	58	52.6 Å²	52.6	31%	0.31	30%	0.298	S	S	.	.	H	α-helix	trans	-52.6	-38.6	175.7	-75.5	-22.9	0	0	0	111.1	F64 Q143 R182 P228	F64-D139 HydrophobicContact CD1-CB 4.34Å; F64-D139 HydrophobicContact CE1-CB 4.06Å; D139-Q143 WeakPolarHBondContact O-CB 3.31Å; D139-Q143 VanDerWaalsContact O-CG 3.22Å; D139-Q143 WeakPolarHBondContact O-CG 3.5Å; D139-Q143 PolarHBondContact O-N 2.81Å; D139-R182 IonicContact OD2-NH1 3.78Å; D139-P228 HydrophobicContact CB-CB 3.87Å; D139-P228 WeakPolarHBondContact CB-O 3.49Å; D139-P228 PolarHBondContact N-O 3.34Å; D139-P228 WeakPolarHBondContact OD2-CB 3.35Å
140	L	98.5	Very high	97.2	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-66.6	-38.6	-180	-176.9	64.8	0	0	0	112.1	F64 M118 L121 L122 C138 S144 I178 P228 V229	F64-L140 HydrophobicContact CE1-CB 4Å; F64-L140 HydrophobicContact CE1-CD1 4Å; F64-L140 HydrophobicContact CE2-CD1 4.3Å; F64-L140 HydrophobicContact CZ-CB 4.35Å; F64-L140 HydrophobicContact CZ-CD1 3.59Å; M118-L140 HydrophobicContact CE-CD1 4.39Å; M118-L140 HydrophobicContact SD-CD1 3.66Å; L121-L140 HydrophobicContact CB-CD1 4.17Å; L121-L140 HydrophobicContact CD1-CD1 4.3Å; L122-L140 HydrophobicContact CD2-CD1 4.22Å; L122-L140 HydrophobicContact CD2-CD2 4.1Å; L122-L140 HydrophobicContact CD2-CG 4.1Å; C138-L140 PolarHBondContact O-N 3.07Å; C138-L140 VanDerWaalsContact O-N 3.13Å; L140-S144 WeakPolarHBondContact O-CB 3.31Å; L140-S144 PolarHBondContact O-N 3.15Å; L140-I178 HydrophobicContact CD2-CG2 4.14Å; L140-P228 PolarHBondContact N-O 3.4Å; L140-V229 HydrophobicContact CB-CG1 3.73Å; L140-V229 HydrophobicContact CD2-CG1 3.82Å; L140-V229 HydrophobicContact CG-CG1 4.4Å
141	Q	98.3	Very high	97.2	Very high	75 Å²	75	58.8 Å²	58.8	35%	0.35	31%	0.308	S	S	.	.	H	α-helix	trans	-67.3	-51.6	176.7	-176.3	177.3	6.7	0	0	110.1	C138 S144 M145	C138-Q141 HydrophobicContact CB-CB 3.84Å; C138-Q141 WeakPolarHBondContact O-CB 3.45Å; C138-Q141 PolarHBondContact O-N 2.92Å; Q141-S144 WeakPolarHBondContact O-CB 3.41Å; Q141-S144 PolarHBondContact O-N 3.02Å; Q141-M145 WeakPolarHBondContact O-CG 3.24Å; Q141-M145 PolarHBondContact O-N 3.35Å
142	D	98.1	Very high	97.2	Very high	80 Å²	80	58.2 Å²	58.2	43%	0.428	31%	0.313	S	S	.	.	H	α-helix	trans	-65.2	-45.9	-175.2	-66.5	-16.9	0	0	0	111.3	C138 S144 M145 M146	C138-D142 PolarHBondContact O-N 3.18Å; D142-S144 VanDerWaalsContact C-N 3.32Å; D142-S144 PolarHBondContact O-N 2.6Å; D142-M145 PolarHBondContact O-N 3.12Å; D142-M146 VanDerWaalsContact O-CG 3.27Å; D142-M146 WeakPolarHBondContact O-CG 3.11Å; D142-M146 PolarHBondContact O-N 2.62Å
143	Q	98	Very high	97.1	Very high	22 Å²	22	66.4 Å²	66.4	10%	0.103	34%	0.342	C	S	.	.	H	α-helix	trans	-70.9	-27.7	178.3	-64.2	179.4	35	0	0	112.4	P62 R63 F64 M78 M118 D139 F147 G148	P62-Q143 HydrophobicContact CB-CG 4.39Å; R63-Q143 PolarHBondContact O-NE2 3.22Å; F64-Q143 HydrophobicContact CZ-CB 4.11Å; M78-Q143 HydrophobicContact CE-CB 4.42Å; M118-Q143 VanDerWaalsContact CE-C 3.49Å; M118-Q143 HydrophobicContact CE-CB 3.83Å; D139-Q143 WeakPolarHBondContact O-CB 3.31Å; D139-Q143 VanDerWaalsContact O-CG 3.22Å; D139-Q143 WeakPolarHBondContact O-CG 3.5Å; D139-Q143 PolarHBondContact O-N 2.81Å; Q143-F147 HydrophobicContact CB-CD2 4.27Å; Q143-F147 HydrophobicContact CG-CD2 4.5Å; Q143-F147 WeakPolarHBondContact O-CB 2.95Å; Q143-F147 PolarHBondContact O-N 3.04Å; Q143-G148 PolarHBondContact O-N 2.97Å
144	S	98.3	Very high	97.2	Very high	24 Å²	24	69.8 Å²	69.8	17%	0.168	36%	0.357	C	S	.	.	H	α-helix	trans	-65.6	-42.6	170.4	-179.4	0	0	0	0	111.2	L122 L140 Q141 D142 M146 G148	L122-S144 WeakPolarHBondContact CD1-OG 3.38Å; L140-S144 WeakPolarHBondContact O-CB 3.31Å; L140-S144 PolarHBondContact O-N 3.15Å; Q141-S144 WeakPolarHBondContact O-CB 3.41Å; Q141-S144 PolarHBondContact O-N 3.02Å; D142-S144 VanDerWaalsContact C-N 3.32Å; D142-S144 PolarHBondContact O-N 2.6Å; S144-M146 VanDerWaalsContact C-N 3.33Å; S144-G148 VanDerWaalsContact O-CA 3.22Å; S144-G148 WeakPolarHBondContact O-CA 3.23Å; S144-G148 PolarHBondContact O-N 3.11Å
145	M	98.1	Very high	97.2	Very high	146 Å²	146	79.7 Å²	79.7	72%	0.719	39%	0.393	S	S	*	.	H	α-helix	trans	-67.9	-33	178.7	-67.9	-60.8	-63.9	0	0	112.4	Q141 D142	Q141-M145 WeakPolarHBondContact O-CG 3.24Å; Q141-M145 PolarHBondContact O-N 3.35Å; D142-M145 PolarHBondContact O-N 3.12Å
146	M	97.1	Very high	97.2	Very high	145 Å²	145	86.2 Å²	86.2	71%	0.714	42%	0.421	S	S	*	.	H	α-helix	trans	-89.1	-38.6	-176.7	-64.7	-61.6	146.9	0	0	114.1	D142 S144	D142-M146 VanDerWaalsContact O-CG 3.27Å; D142-M146 WeakPolarHBondContact O-CG 3.11Å; D142-M146 PolarHBondContact O-N 2.62Å; S144-M146 VanDerWaalsContact C-N 3.33Å
147	F	97.4	Very high	97.2	Very high	70 Å²	70	87.9 Å²	87.9	31%	0.307	44%	0.439	S	S	.	.	H	α-helix	trans	-126.6	-9.9	-169.9	-54.8	-72.6	0	0	0	114.1	P62 M78 R114 Q143	P62-F147 HydrophobicContact CB-CD2 3.74Å; P62-F147 HydrophobicContact CB-CE2 3.79Å; P62-F147 HydrophobicContact CB-CG 4.41Å; P62-F147 HydrophobicContact CB-CZ 4.49Å; P62-F147 HydrophobicContact CG-CD2 3.99Å; P62-F147 HydrophobicContact CG-CE2 4.08Å; P62-F147 HydrophobicContact CG-CG 4.21Å; P62-F147 HydrophobicContact CG-CZ 4.37Å; M78-F147 HydrophobicContact CE-CB 3.86Å; M78-F147 HydrophobicContact CE-CD2 4.48Å; M78-F147 HydrophobicContact CE-CG 4.49Å; R114-F147 HydrophobicContact CB-CB 4.31Å; Q143-F147 HydrophobicContact CB-CD2 4.27Å; Q143-F147 HydrophobicContact CG-CD2 4.5Å; Q143-F147 WeakPolarHBondContact O-CB 2.95Å; Q143-F147 PolarHBondContact O-N 3.04Å
148	G	95.9	Very high	97.3	Very high	18 Å²	18	89.6 Å²	89.6	19%	0.186	45%	0.446	C	S	.	.	S	Bend	trans	-82.4	170	178.3	0	0	0	0	0	113.4	Q143 S144	Q143-G148 PolarHBondContact O-N 2.97Å; S144-G148 VanDerWaalsContact O-CA 3.22Å; S144-G148 WeakPolarHBondContact O-CA 3.23Å; S144-G148 PolarHBondContact O-N 3.11Å
149	S	96.4	Very high	97.2	Very high	58 Å²	58	91.2 Å²	91.2	41%	0.406	45%	0.45	S	S	.	.			trans	-75.4	156.5	168.2	-170.2	0	0	0	0	111.1	R151	S149-R151 VanDerWaalsContact C-N 3.29Å; S149-R151 PolarHBondContact O-N 2.8Å
150	D	96.7	Very high	97.1	Very high	129 Å²	129	92.6 Å²	92.6	69%	0.69	47%	0.47	S	S	*	.	S	Bend	trans	-77.4	-12	-179.5	71	-23.3	0	0	0	113.8
151	R	95.9	Very high	97	Very high	173 Å²	173	93.2 Å²	93.2	65%	0.653	47%	0.473	S	S	*	.	S	Bend	trans	-142.5	148.8	-172.4	68.3	-167.7	68.8	-162.9	-5.4	112.7	S149	S149-R151 VanDerWaalsContact C-N 3.29Å; S149-R151 PolarHBondContact O-N 2.8Å
152	S	96.9	Very high	96.8	Very high	86 Å²	86	96 Å²	96	60%	0.601	49%	0.487	S	S	*	.			trans	-89	146.2	171.1	179.6	0	0	0	0	111.4	F154	S152-F154 PolarHBondContact OG-N 3.34Å; S152-F154 VanDerWaalsContact OG-N 3.11Å
153	R	97.1	Very high	96.6	Very high	183 Å²	183	96 Å²	96	69%	0.691	49%	0.486	S	S	*	.			trans	-106.1	-9.7	167.3	-58.9	-178.1	-65.9	170.9	-1.3	112.9	E119 R155	E119-R153 VanDerWaalsContact CD-NH2 3.29Å; E119-R153 IonicContact OE1-CZ 2.61Å; E119-R153 IonicContact OE1-NE 3.62Å; E119-R153 PolarHBondContact OE1-NE 3.16Å; E119-R153 IonicContact OE1-NH2 3.41Å; E119-R153 PolarHBondContact OE1-NH2 3.08Å; E119-R153 VanDerWaalsContact OE1-NH2 3.13Å; E119-R153 IonicContact OE2-CZ 3.66Å; E119-R153 IonicContact OE2-NE 2.89Å; E119-R153 IonicContact OE2-NH2 3.6Å; E119-R153 PolarHBondContact OE2-NH2 2.67Å; R153-R155 PolarHBondContact O-N 3.28Å
154	F	97.7	Very high	96.3	Very high	73 Å²	73	97.3 Å²	97.3	32%	0.32	49%	0.492	S	S	.	.			trans	-76.5	118.6	-176.9	-169.9	-99.2	0	0	0	110.8	A123 S152 E156 K158	A123-F154 HydrophobicContact CB-CB 4.42Å; A123-F154 HydrophobicContact CB-CD2 4.05Å; A123-F154 HydrophobicContact CB-CE2 4.48Å; A123-F154 HydrophobicContact CB-CG 4.14Å; A123-F154 VanDerWaalsContact O-CD1 3.26Å; A123-F154 WeakPolarHBondContact O-CD1 3.44Å; A123-F154 WeakPolarHBondContact O-CE1 3.44Å; S152-F154 PolarHBondContact OG-N 3.34Å; S152-F154 VanDerWaalsContact OG-N 3.11Å; F154-E156 HydrophobicContact CE1-CB 4.03Å; F154-E156 VanDerWaalsContact CE1-O 3.27Å; F154-E156 WeakPolarHBondContact CE1-O 3.21Å; F154-E156 HydrophobicContact CE2-CB 4.05Å; F154-E156 HydrophobicContact CE2-CG 4.35Å; F154-E156 HydrophobicContact CZ-CB 3.67Å; F154-E156 HydrophobicContact CZ-CG 4.46Å; F154-K158 HydrophobicContact CD1-CG 4.49Å; F154-K158 HydrophobicContact CE1-CG 4.01Å
155	R	96	Very high	95.9	Very high	234 Å²	234	98.3 Å²	98.3	88%	0.883	50%	0.495	S	S	*	.			trans	-117.4	2.2	-177.1	-65.2	-176.2	177.8	-174.5	-1.2	114.1	R153	R153-R155 PolarHBondContact O-N 3.28Å
156	E	96.5	Very high	95.7	Very high	145 Å²	145	91.6 Å²	91.6	68%	0.678	46%	0.462	S	S	*	.	S	Bend	trans	-87.5	173.3	-178	-53.6	-57.8	147.4	0	0	111.7	F154 K158	F154-E156 HydrophobicContact CE1-CB 4.03Å; F154-E156 VanDerWaalsContact CE1-O 3.27Å; F154-E156 WeakPolarHBondContact CE1-O 3.21Å; F154-E156 HydrophobicContact CE2-CB 4.05Å; F154-E156 HydrophobicContact CE2-CG 4.35Å; F154-E156 HydrophobicContact CZ-CB 3.67Å; F154-E156 HydrophobicContact CZ-CG 4.46Å; E156-K158 PolarHBondContact O-N 3.12Å
157	G	96.4	Very high	95.4	Very high	70 Å²	70	84.9 Å²	84.9	72%	0.722	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-65.2	130.3	170.2	0	0	0	0	0	111.8
158	K	97.8	Very high	95.3	Very high	79 Å²	79	82.6 Å²	82.6	34%	0.343	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-77	148.2	173.3	-64.8	173.4	175.7	-82.1	0	109.8	L122 A123 H125 L127 F154 E156	L122-K158 PolarHBondContact O-NZ 2.76Å; A123-K158 WeakPolarHBondContact O-CG 3.43Å; A123-K158 PolarHBondContact O-NZ 3.03Å; H125-K158 WeakPolarHBondContact O-CD 3.1Å; H125-K158 WeakPolarHBondContact O-CE 3.18Å; H125-K158 PolarHBondContact O-NZ 3.17Å; L127-K158 HydrophobicContact CD1-CD 4.32Å; F154-K158 HydrophobicContact CD1-CG 4.49Å; F154-K158 HydrophobicContact CE1-CG 4.01Å; E156-K158 PolarHBondContact O-N 3.12Å
159	R	96.1	Very high	95.2	Very high	44 Å²	44	82 Å²	82	17%	0.166	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-65.9	152.9	167.5	71.6	176.2	179.9	174.4	-0.6	110.6	N124 Q179 N203	N124-R159 HydrophobicContact CB-CG 4.1Å; N124-R159 PolarHBondContact OD1-N 2.77Å; R159-Q179 VanDerWaalsContact NH2-CD 3.26Å; R159-Q179 VanDerWaalsContact NH2-NE2 3.19Å; R159-N203 WeakPolarHBondContact CD-O 3.41Å; R159-N203 PolarHBondContact NH1-O 3.09Å
160	A	96.9	Very high	95.2	Very high	87 Å²	87	79.5 Å²	79.5	72%	0.719	40%	0.397	S	S	*	.			trans	-127	144.9	166.8	0	0	0	0	0	108.6	T175	A160-T175 HydrophobicContact CB-CG2 4.49Å
161	V	96	Very high	95.2	Very high	16 Å²	16	75.8 Å²	75.8	10%	0.097	38%	0.375	C	S	.	.			trans	-122.9	135.1	-177.6	-175.9	0	0	0	0	108.2	M174 T175 Q206	V161-M174 HydrophobicContact CB-CB 4.16Å; V161-M174 HydrophobicContact CG1-CB 3.77Å; V161-T175 PolarHBondContact N-OG1 2.76Å; V161-T175 PolarHBondContact O-OG1 3.33Å; V161-Q206 HydrophobicContact CG1-CG 3.84Å
162	E	94.1	Very high	95.2	Very high	135 Å²	135	68.3 Å²	68.3	63%	0.631	35%	0.348	S	S	*	.			trans	-62.1	138	173.6	-173.5	-168.3	-153	0	0	111	K164	E162-K164 IonicContact OE2-NZ 2.74Å; E162-K164 PolarHBondContact OE2-NZ 3.18Å
163	D	93.5	Very high	95.2	Very high	78 Å²	78	65.1 Å²	65.1	42%	0.417	33%	0.325	S	S	.	.			trans	-74.5	147.8	177.6	-66.1	-20.7	0	0	0	111.2	T172 I173 M174	D163-T172 WeakPolarHBondContact CB-O 3.46Å; D163-T172 VanDerWaalsContact CG-O 3.29Å; D163-I173 WeakPolarHBondContact OD1-CA 3.18Å; D163-M174 PolarHBondContact OD1-N 3.24Å
164	K	91.2	Very high	95.3	Very high	51 Å²	51	56.9 Å²	56.9	22%	0.222	29%	0.294	C	S	.	.			trans	-117.5	116.8	-171.5	-60.5	-58.4	179	-171	0	111.2	E162 I166 T172 M174	E162-K164 IonicContact OE2-NZ 2.74Å; E162-K164 PolarHBondContact OE2-NZ 3.18Å; K164-I166 HydrophobicContact CB-CG2 4.45Å; K164-I166 PolarHBondContact O-N 2.91Å; K164-T172 PolarHBondContact N-OG1 2.85Å; K164-T172 WeakPolarHBondContact O-CB 3.41Å; K164-T172 VanDerWaalsContact O-CG2 3.23Å; K164-T172 WeakPolarHBondContact O-CG2 3.33Å; K164-T172 PolarHBondContact O-OG1 3.45Å; K164-M174 HydrophobicContact CG-CG 4.31Å
165	N	91.2	Very high	95.3	Very high	44 Å²	44	54.6 Å²	54.6	24%	0.235	29%	0.286	C	S	.	.			trans	-73.9	96	178.5	-170.4	1.1	0	0	0	111.7	G167 E723	N165-G167 PolarHBondContact OD1-N 2.96Å; N165-E723 PolarHBondContact ND2-OE1 2.87Å
166	I	92.4	Very high	95.4	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.031	25%	0.245	C	C	.	.			trans	-97.2	8.3	177.4	66.2	177	0	0	0	113.6	K164 V170 T172 T209 M214 F215 I223 L232	K164-I166 HydrophobicContact CB-CG2 4.45Å; K164-I166 PolarHBondContact O-N 2.91Å; I166-V170 HydrophobicContact CD1-CB 4.07Å; I166-V170 HydrophobicContact CD1-CG1 4.05Å; I166-V170 HydrophobicContact CG1-CB 4.3Å; I166-T172 HydrophobicContact CD1-CG2 3.57Å; I166-T172 HydrophobicContact CG1-CG2 3.62Å; I166-T172 HydrophobicContact CG2-CG2 4.48Å; I166-T209 HydrophobicContact CG2-CG2 4.37Å; I166-M214 WeakPolarHBondContact O-CA 3.24Å; I166-M214 WeakPolarHBondContact O-CG 3.5Å; I166-F215 HydrophobicContact CB-CB 4.22Å; I166-F215 PolarHBondContact O-N 3.4Å; I166-I223 HydrophobicContact CD1-CD1 4.08Å; I166-L232 HydrophobicContact CD1-CD2 4.28Å
167	G	91.8	Very high	95.4	Very high	4 Å²	4	37.4 Å²	37.4	4%	0.041	22%	0.217	C	C	.	.			trans	135.2	180	174.9	0	0	0	0	0	115.5	N165 L169 K235	N165-G167 PolarHBondContact OD1-N 2.96Å; G167-L169 VanDerWaalsContact C-N 3.34Å; G167-L169 PolarHBondContact O-N 3.4Å; G167-K235 PolarHBondContact O-NZ 3.47Å
168	P	93.9	Very high	95.5	Very high	22 Å²	22	35 Å²	35	14%	0.143	19%	0.187	C	C	.	.	S	Bend	trans	-79.3	-12.9	-175	32.6	-36.7	0	0	0	114	K235 A714 V722	P168-K235 WeakPolarHBondContact O-CB 3.27Å; P168-K235 WeakPolarHBondContact O-CD 3.48Å; P168-A714 HydrophobicContact CG-CB 3.77Å; P168-V722 HydrophobicContact CB-CG1 4.43Å
169	L	95.6	Very high	95.5	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	18%	0.177	C	C	.	.	S	Bend	trans	-92.5	-46.6	-174.4	-65.6	179.9	0	0	0	113.1	G167 K235 P236 D289 F293 T707 C711	G167-L169 VanDerWaalsContact C-N 3.34Å; G167-L169 PolarHBondContact O-N 3.4Å; L169-K235 WeakPolarHBondContact O-CB 3.49Å; L169-K235 PolarHBondContact O-N 3.44Å; L169-P236 WeakPolarHBondContact O-CD 3.41Å; L169-D289 HydrophobicContact CD1-CB 3.98Å; L169-F293 HydrophobicContact CB-CD2 4.41Å; L169-F293 HydrophobicContact CB-CE2 3.81Å; L169-F293 HydrophobicContact CB-CZ 3.96Å; L169-F293 HydrophobicContact CD1-CD2 3.88Å; L169-F293 HydrophobicContact CD1-CE2 3.75Å; L169-F293 HydrophobicContact CD2-CB 4.26Å; L169-F293 HydrophobicContact CD2-CD1 4.25Å; L169-F293 HydrophobicContact CD2-CD2 3.43Å; L169-F293 VanDerWaalsContact CD2-CD2 3.43Å; L169-F293 HydrophobicContact CD2-CE1 4.46Å; L169-F293 HydrophobicContact CD2-CE2 3.72Å; L169-F293 HydrophobicContact CD2-CG 3.73Å; L169-F293 HydrophobicContact CD2-CZ 4.22Å; L169-F293 HydrophobicContact CG-CD2 4.1Å; L169-F293 HydrophobicContact CG-CE2 3.96Å; L169-T707 HydrophobicContact CD2-CG2 3.57Å; L169-C711 WeakPolarHBondContact CD2-SG 3.33Å
170	V	96.6	Very high	95.6	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.03	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.9	-174.9	-173.4	0	0	0	0	109.5	I166 I223 I224 L232	I166-V170 HydrophobicContact CD1-CB 4.07Å; I166-V170 HydrophobicContact CD1-CG1 4.05Å; I166-V170 HydrophobicContact CG1-CB 4.3Å; V170-I223 HydrophobicContact CB-CD1 4.45Å; V170-I223 HydrophobicContact CG1-CD1 4.13Å; V170-I223 HydrophobicContact CG1-CG1 4.2Å; V170-I223 HydrophobicContact CG2-CD1 3.98Å; V170-I223 HydrophobicContact CG2-CG1 4.01Å; V170-I224 HydrophobicContact CG1-CG1 4.07Å; V170-I224 HydrophobicContact CG2-CD1 4.01Å; V170-I224 HydrophobicContact CG2-CG1 4.09Å; V170-L232 HydrophobicContact CG1-CB 3.92Å; V170-L232 HydrophobicContact CG1-CD2 4.01Å
171	K	95.6	Very high	95.6	Very high	51 Å²	51	28 Å²	28	22%	0.222	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.7	169.5	-173.8	174.3	-175.9	174.1	0	108.7	L232 T233 K235 A238	K171-L232 WeakPolarHBondContact O-CA 3.01Å; K171-T233 PolarHBondContact N-O 2.87Å; K171-T233 PolarHBondContact O-N 3.05Å; K171-K235 HydrophobicContact CB-CB 3.97Å; K171-K235 HydrophobicContact CB-CG 4.34Å; K171-A238 HydrophobicContact CD-CB 4.16Å
172	T	96.2	Very high	95.7	Very high	15 Å²	15	27.8 Å²	27.8	9%	0.092	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126	-178.5	57.3	0	0	0	0	110.2	D163 K164 I166 M174 A231 L232	D163-T172 WeakPolarHBondContact CB-O 3.46Å; D163-T172 VanDerWaalsContact CG-O 3.29Å; K164-T172 PolarHBondContact N-OG1 2.85Å; K164-T172 WeakPolarHBondContact O-CB 3.41Å; K164-T172 VanDerWaalsContact O-CG2 3.23Å; K164-T172 WeakPolarHBondContact O-CG2 3.33Å; K164-T172 PolarHBondContact O-OG1 3.45Å; I166-T172 HydrophobicContact CD1-CG2 3.57Å; I166-T172 HydrophobicContact CG1-CG2 3.62Å; I166-T172 HydrophobicContact CG2-CG2 4.48Å; T172-M174 HydrophobicContact CG2-CE 4Å; T172-A231 CarbonylContact C-O 3.57Å; T172-A231 VanDerWaalsContact CA-O 3.3Å; T172-A231 WeakPolarHBondContact CA-O 3.1Å; T172-L232 HydrophobicContact CG2-CD2 3.85Å
173	I	97.8	Very high	95.9	Very high	20 Å²	20	22 Å²	22	10%	0.103	12%	0.117	C	C	.	.			trans	-125.4	89	166.7	-61.9	173.3	0	0	0	107.7	D163 T175 R176 A231	D163-I173 WeakPolarHBondContact OD1-CA 3.18Å; I173-T175 VanDerWaalsContact C-N 3.29Å; I173-T175 PolarHBondContact O-N 3.38Å; I173-R176 VanDerWaalsContact CD1-NH1 3.35Å; I173-R176 HydrophobicContact CG2-CG 4Å; I173-R176 WeakPolarHBondContact O-CB 3.1Å; I173-R176 PolarHBondContact O-N 2.89Å; I173-R176 VanDerWaalsContact O-N 3.16Å; I173-A231 PolarHBondContact N-O 3.3Å; I173-A231 WeakPolarHBondContact O-CA 3.31Å
174	M	97.3	Very high	96.1	Very high	9 Å²	9	19.7 Å²	19.7	4%	0.044	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-74.7	-19.9	-163.3	-75.1	-57.4	105.6	0	0	113.4	V161 D163 K164 T172 R176 C177 A231 L232	V161-M174 HydrophobicContact CB-CB 4.16Å; V161-M174 HydrophobicContact CG1-CB 3.77Å; D163-M174 PolarHBondContact OD1-N 3.24Å; K164-M174 HydrophobicContact CG-CG 4.31Å; T172-M174 HydrophobicContact CG2-CE 4Å; M174-R176 PolarHBondContact O-N 3.46Å; M174-C177 VanDerWaalsContact O-CB 3.22Å; M174-C177 WeakPolarHBondContact O-CB 3.13Å; M174-C177 PolarHBondContact O-N 2.87Å; M174-C177 HydrophobicContact SD-CB 4.24Å; M174-A231 HydrophobicContact CE-CB 4.17Å; M174-A231 VanDerWaalsContact CE-O 3.22Å; M174-A231 WeakPolarHBondContact CE-O 3.48Å; M174-L232 HydrophobicContact CE-CD2 3.5Å; M174-L232 HydrophobicContact CE-CG 4.31Å
175	T	97.7	Very high	96.4	Very high	26 Å²	26	18.1 Å²	18.1	16%	0.16	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-58.6	-29.5	171.3	-59.3	0	0	0	0	111.9	P126 A160 V161 I173	P126-T175 HydrophobicContact CB-CG2 3.93Å; P126-T175 VanDerWaalsContact CD-O 3.25Å; P126-T175 WeakPolarHBondContact CD-O 3.39Å; P126-T175 HydrophobicContact CG-CG2 3.85Å; A160-T175 HydrophobicContact CB-CG2 4.49Å; V161-T175 PolarHBondContact N-OG1 2.76Å; V161-T175 PolarHBondContact O-OG1 3.33Å; I173-T175 VanDerWaalsContact C-N 3.29Å; I173-T175 PolarHBondContact O-N 3.38Å
176	R	98.4	Very high	96.7	Very high	3 Å²	3	16 Å²	16	1%	0.011	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-79.5	-16.4	177.1	-62.2	167.4	-172	174.4	2.2	113.4	H125 P126 D128 I173 M174 I178 G230 A231	H125-R176 PolarHBondContact CE1-O 3.42Å; H125-R176 PolarHBondContact ND1-O 2.88Å; P126-R176 HydrophobicContact CG-CB 4.36Å; P126-R176 HydrophobicContact CG-CG 3.58Å; D128-R176 HydrophobicContact CB-CG 4.48Å; D128-R176 IonicContact OD2-CZ 3Å; D128-R176 VanDerWaalsContact OD2-CZ 3.31Å; D128-R176 IonicContact OD2-NE 2.8Å; D128-R176 PolarHBondContact OD2-NE 3.23Å; D128-R176 IonicContact OD2-NH2 3.61Å; D128-R176 PolarHBondContact OD2-NH2 2.97Å; I173-R176 VanDerWaalsContact CD1-NH1 3.35Å; I173-R176 HydrophobicContact CG2-CG 4Å; I173-R176 WeakPolarHBondContact O-CB 3.1Å; I173-R176 PolarHBondContact O-N 2.89Å; I173-R176 VanDerWaalsContact O-N 3.16Å; M174-R176 PolarHBondContact O-N 3.46Å; R176-I178 PolarHBondContact O-N 2.63Å; R176-G230 WeakPolarHBondContact CD-O 3.17Å; R176-G230 PolarHBondContact NH1-O 3.27Å; R176-A231 HydrophobicContact CB-CB 4.04Å
177	C	98.2	Very high	97	Very high	14 Å²	14	15.8 Å²	15.8	10%	0.095	9%	0.085	C	C	.	.			trans	-65.2	132.9	-176	-176.1	0	0	0	0	110.6	M174 Q179 A231	M174-C177 VanDerWaalsContact O-CB 3.22Å; M174-C177 WeakPolarHBondContact O-CB 3.13Å; M174-C177 PolarHBondContact O-N 2.87Å; M174-C177 HydrophobicContact SD-CB 4.24Å; C177-Q179 PolarHBondContact O-NE2 3.38Å; C177-Q179 PolarHBondContact O-OE1 3.37Å; C177-Q179 PolarHBondContact SG-N 2.52Å; C177-A231 HydrophobicContact CB-CB 3.86Å
178	I	97.8	Very high	97.2	Very high	19 Å²	19	17.7 Å²	17.7	10%	0.097	10%	0.098	C	C	.	.			trans	-98.2	11.3	175.3	60.8	164.5	0	0	0	113	F64 L121 L140 R176 C180 P228 V229	F64-I178 HydrophobicContact CB-CD1 3.88Å; F64-I178 HydrophobicContact CD1-CD1 3.85Å; F64-I178 HydrophobicContact CD2-CD1 4.46Å; F64-I178 HydrophobicContact CG-CD1 3.82Å; L121-I178 HydrophobicContact CD2-CB 3.98Å; L121-I178 HydrophobicContact CD2-CD1 4.36Å; L121-I178 HydrophobicContact CD2-CG2 4.23Å; L140-I178 HydrophobicContact CD2-CG2 4.14Å; R176-I178 PolarHBondContact O-N 2.63Å; I178-C180 HydrophobicContact CD1-CB 4.22Å; I178-C180 HydrophobicContact CG1-CB 4.13Å; I178-C180 PolarHBondContact O-N 2.89Å; I178-C180 VanDerWaalsContact O-N 3.14Å; I178-P228 HydrophobicContact CD1-CG 4.04Å; I178-P228 HydrophobicContact CG1-CG 4.48Å; I178-V229 HydrophobicContact CD1-CG1 4.28Å; I178-V229 HydrophobicContact CG1-CG1 4.24Å; I178-V229 HydrophobicContact CG1-CG2 4.47Å; I178-V229 HydrophobicContact CG2-CG1 4.11Å
179	Q	97.5	Very high	97.4	Very high	27 Å²	27	18.2 Å²	18.2	13%	0.126	10%	0.098	C	C	.	.			trans	51.8	38.7	178	-61.3	73.1	37.8	0	0	113.8	N75 R159 C177 T181 M205 V207	N75-Q179 PolarHBondContact ND2-O 3.45Å; R159-Q179 VanDerWaalsContact NH2-CD 3.26Å; R159-Q179 VanDerWaalsContact NH2-NE2 3.19Å; C177-Q179 PolarHBondContact O-NE2 3.38Å; C177-Q179 PolarHBondContact O-OE1 3.37Å; C177-Q179 PolarHBondContact SG-N 2.52Å; Q179-T181 PolarHBondContact O-N 3.17Å; Q179-M205 HydrophobicContact CB-CE 3.61Å; Q179-M205 HydrophobicContact CG-CE 3.81Å; Q179-V207 HydrophobicContact CB-CG2 4.3Å; Q179-V207 HydrophobicContact CG-CG2 4.01Å
180	C	97.6	Very high	97.5	Very high	9 Å²	9	19 Å²	19	6%	0.061	10%	0.102	C	C	.	.			trans	-72.5	-6.4	177.1	68.1	0	0	0	0	113.9	C65 N75 I178 R182 R185	C65-C180 HydrophobicContact CB-CB 4.07Å; C65-C180 WeakPolarHBondContact CB-O 3.47Å; N75-C180 PolarHBondContact ND2-O 3.37Å; N75-C180 VanDerWaalsContact ND2-O 3.09Å; N75-C180 PolarHBondContact OD1-O 3.06Å; I178-C180 HydrophobicContact CD1-CB 4.22Å; I178-C180 HydrophobicContact CG1-CB 4.13Å; I178-C180 PolarHBondContact O-N 2.89Å; I178-C180 VanDerWaalsContact O-N 3.14Å; C180-R182 PolarHBondContact O-N 3.03Å; C180-R182 VanDerWaalsContact O-N 3.08Å; C180-R185 PolarHBondContact O-NH2 3.3Å
181	T	97.9	Very high	97.5	Very high	27 Å²	27	18.7 Å²	18.7	17%	0.166	10%	0.101	C	C	.	.			trans	53.6	23.5	179.1	71.4	0	0	0	0	115.4	N75 Q179 I184 R185 T198	N75-T181 WeakPolarHBondContact ND2-CG2 3.23Å; N75-T181 PolarHBondContact ND2-OG1 2.87Å; Q179-T181 PolarHBondContact O-N 3.17Å; T181-I184 HydrophobicContact CG2-CD1 4.05Å; T181-R185 PolarHBondContact O-N 3Å; T181-R185 PolarHBondContact O-NE 3.21Å; T181-R185 VanDerWaalsContact O-NE 3.14Å; T181-T198 HydrophobicContact CG2-CG2 4.04Å
182	R	98.1	Very high	97.5	Very high	12 Å²	12	16.9 Å²	16.9	5%	0.045	10%	0.096	C	C	.	.	H	α-helix	trans	-63.2	-48.1	172	-81.3	-172.4	178.9	159.5	9.1	111.6	F64 C65 Y66 L70 D139 C180 I184 R185 F186 I226	F64-R182 WeakPolarHBondContact O-CD 3.35Å; F64-R182 PolarHBondContact O-NE 3.49Å; F64-R182 PolarHBondContact O-NH2 2.88Å; C65-R182 VanDerWaalsContact O-CG 3.24Å; C65-R182 WeakPolarHBondContact O-CG 3.29Å; C65-R182 PolarHBondContact O-NE 2.91Å; Y66-R182 PolarHBondContact O-NE 2.97Å; Y66-R182 PolarHBondContact O-NH2 3.26Å; L70-R182 HydrophobicContact CD1-CB 4.34Å; L70-R182 HydrophobicContact CD1-CG 4.47Å; D139-R182 IonicContact OD2-NH1 3.78Å; C180-R182 PolarHBondContact O-N 3.03Å; C180-R182 VanDerWaalsContact O-N 3.08Å; R182-I184 VanDerWaalsContact C-N 3.32Å; R182-I184 PolarHBondContact O-N 3.42Å; R182-R185 PolarHBondContact O-N 3.49Å; R182-F186 WeakPolarHBondContact O-CB 3.22Å; R182-F186 PolarHBondContact O-N 3.41Å; R182-I226 HydrophobicContact CB-CD1 4.49Å; R182-I226 HydrophobicContact CB-CG1 4.44Å; R182-I226 WeakPolarHBondContact CD-O 3.35Å; R182-I226 PolarHBondContact NH1-O 2.91Å; R182-I226 VanDerWaalsContact NH1-O 3.12Å
183	C	97.5	Very high	97.4	Very high	14 Å²	14	17.1 Å²	17.1	10%	0.095	10%	0.098	C	C	.	.	H	α-helix	trans	-61.9	-37.1	-179.4	56.7	0	0	0	0	113.6	F186 A187 L196 I223 I226 L232	C183-F186 PolarHBondContact O-N 2.8Å; C183-A187 VanDerWaalsContact O-CB 3.23Å; C183-A187 WeakPolarHBondContact O-CB 3.25Å; C183-A187 PolarHBondContact O-N 2.86Å; C183-L196 HydrophobicContact CB-CD1 4.11Å; C183-I223 HydrophobicContact CB-CB 4.3Å; C183-I223 HydrophobicContact CB-CG2 4.44Å; C183-I226 HydrophobicContact CB-CD1 4.49Å; C183-L232 HydrophobicContact CB-CD1 3.66Å
184	I	97.8	Very high	97.1	Very high	30 Å²	30	21.6 Å²	21.6	15%	0.154	12%	0.122	C	C	.	.	H	α-helix	trans	-65	-48.7	176.9	-63.4	167.5	0	0	0	110.4	T181 R182 F186 A187 S188 L196 G197 T198 V207	T181-I184 HydrophobicContact CG2-CD1 4.05Å; R182-I184 VanDerWaalsContact C-N 3.32Å; R182-I184 PolarHBondContact O-N 3.42Å; I184-F186 PolarHBondContact O-N 3.13Å; I184-A187 PolarHBondContact O-N 3.49Å; I184-S188 WeakPolarHBondContact O-CB 3.42Å; I184-S188 PolarHBondContact O-N 3.23Å; I184-L196 HydrophobicContact CG1-CB 4.17Å; I184-L196 WeakPolarHBondContact CG2-O 3.38Å; I184-G197 VanDerWaalsContact CD1-C 3.45Å; I184-T198 HydrophobicContact CD1-CG2 3.53Å; I184-V207 HydrophobicContact CD1-CG1 4.02Å; I184-V207 HydrophobicContact CD1-CG2 4.15Å; I184-V207 HydrophobicContact CG1-CG1 4.13Å
185	R	97.6	Very high	96.9	Very high	18 Å²	18	22.7 Å²	22.7	7%	0.068	13%	0.128	C	C	.	.	H	α-helix	trans	-62.3	-43.1	177	-77.5	177.5	-73.2	138.1	2.5	111.7	C65 L70 S71 C180 T181 R182 A187 S188 E189	C65-R185 PolarHBondContact O-NH1 3Å; C65-R185 PolarHBondContact O-NH2 2.97Å; L70-R185 HydrophobicContact CB-CB 4.45Å; L70-R185 HydrophobicContact CD1-CB 4.38Å; S71-R185 WeakPolarHBondContact O-CD 3.44Å; S71-R185 PolarHBondContact O-NH1 2.97Å; S71-R185 WeakPolarHBondContact OG-CD 3.03Å; C180-R185 PolarHBondContact O-NH2 3.3Å; T181-R185 PolarHBondContact O-N 3Å; T181-R185 PolarHBondContact O-NE 3.21Å; T181-R185 VanDerWaalsContact O-NE 3.14Å; R182-R185 PolarHBondContact O-N 3.49Å; R185-A187 PolarHBondContact O-N 2.79Å; R185-S188 PolarHBondContact O-N 3.2Å; R185-E189 WeakPolarHBondContact CG-OE1 3.34Å; R185-E189 WeakPolarHBondContact O-CA 3.31Å; R185-E189 WeakPolarHBondContact O-CB 3.5Å; R185-E189 VanDerWaalsContact O-CG 3.29Å; R185-E189 WeakPolarHBondContact O-CG 3.41Å; R185-E189 PolarHBondContact O-N 3.17Å
186	F	98.4	Very high	96.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.2	-47.1	174.9	179.7	-86.3	0	0	0	112.1	L70 R182 C183 I184 S188 I190 A191 L219 N222 I223 I226 W286	L70-F186 HydrophobicContact CD1-CB 4.29Å; L70-F186 HydrophobicContact CD2-CB 4.06Å; L70-F186 HydrophobicContact CD2-CD2 4.32Å; R182-F186 WeakPolarHBondContact O-CB 3.22Å; R182-F186 PolarHBondContact O-N 3.41Å; C183-F186 PolarHBondContact O-N 2.8Å; I184-F186 PolarHBondContact O-N 3.13Å; F186-S188 VanDerWaalsContact C-N 3.31Å; F186-S188 PolarHBondContact O-N 3.15Å; F186-I190 HydrophobicContact CD2-CB 4.01Å; F186-I190 HydrophobicContact CD2-CD1 3.84Å; F186-I190 HydrophobicContact CD2-CG1 4.29Å; F186-I190 HydrophobicContact CD2-CG2 4.41Å; F186-I190 HydrophobicContact CE2-CB 3.87Å; F186-I190 HydrophobicContact CE2-CD1 3.97Å; F186-I190 HydrophobicContact CE2-CG1 4.45Å; F186-I190 HydrophobicContact CE2-CG2 3.77Å; F186-I190 HydrophobicContact CZ-CB 4.29Å; F186-I190 HydrophobicContact CZ-CG2 4.05Å; F186-I190 PolarHBondContact O-N 3.39Å; F186-A191 HydrophobicContact CD1-CB 4.36Å; F186-A191 HydrophobicContact CE1-CB 4.01Å; F186-A191 PolarHBondContact O-N 2.77Å; F186-L219 WeakPolarHBondContact CE1-O 3.47Å; F186-L219 HydrophobicContact CZ-CB 4.4Å; F186-N222 HydrophobicContact CE1-CB 3.98Å; F186-N222 HydrophobicContact CE2-CB 3.94Å; F186-N222 HydrophobicContact CZ-CB 3.43Å; F186-N222 VanDerWaalsContact CZ-CB 3.43Å; F186-I223 HydrophobicContact CD1-CG2 3.5Å; F186-I223 VanDerWaalsContact CD1-CG2 3.5Å; F186-I223 HydrophobicContact CE1-CG2 4.04Å; F186-I223 HydrophobicContact CG-CG2 4.29Å; F186-I226 HydrophobicContact CB-CD1 3.27Å; F186-I226 HydrophobicContact CD1-CD1 4.29Å; F186-I226 HydrophobicContact CD2-CD1 4.04Å; F186-I226 HydrophobicContact CD2-CG2 4.43Å; F186-I226 HydrophobicContact CG-CD1 3.6Å; F186-W286 HydrophobicContact CD2-CE3 4.42Å; F186-W286 AromaticContact CD2-CH2 3.83Å; F186-W286 HydrophobicContact CD2-CH2 3.83Å; F186-W286 HydrophobicContact CD2-CZ2 4.06Å; F186-W286 HydrophobicContact CD2-CZ3 4.03Å; F186-W286 AromaticContact CE2-CD2 3.73Å; F186-W286 HydrophobicContact CE2-CD2 3.73Å; F186-W286 AromaticContact CE2-CE2 3.87Å; F186-W286 AromaticContact CE2-CE3 3.63Å; F186-W286 HydrophobicContact CE2-CE3 3.63Å; F186-W286 AromaticContact CE2-CH2 3.82Å; F186-W286 HydrophobicContact CE2-CH2 3.82Å; F186-W286 AromaticContact CE2-CZ2 3.9Å; F186-W286 HydrophobicContact CE2-CZ2 3.9Å; F186-W286 AromaticContact CE2-CZ3 3.69Å; F186-W286 HydrophobicContact CE2-CZ3 3.69Å; F186-W286 HydrophobicContact CZ-CE3 4.38Å
187	A	97.1	Very high	96.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.135	C	C	.	.	I	π-helix	trans	-59.7	-42.9	179.5	0	0	0	0	0	111.5	C183 I184 R185 A191 G192 V193 L196 F215	C183-A187 VanDerWaalsContact O-CB 3.23Å; C183-A187 WeakPolarHBondContact O-CB 3.25Å; C183-A187 PolarHBondContact O-N 2.86Å; I184-A187 PolarHBondContact O-N 3.49Å; R185-A187 PolarHBondContact O-N 2.79Å; A187-A191 CarbonylContact O-C 3.52Å; A187-G192 WeakPolarHBondContact O-CA 3.34Å; A187-G192 PolarHBondContact O-N 2.74Å; A187-V193 CarbonylContact C-O 3.55Å; A187-V193 WeakPolarHBondContact CB-O 3.4Å; A187-V193 CarbonylContact O-C 3.59Å; A187-V193 PolarHBondContact O-N 3.35Å; A187-L196 HydrophobicContact CB-CB 4.13Å; A187-L196 HydrophobicContact CB-CD1 4.08Å; A187-L196 HydrophobicContact CB-CG 4.34Å; A187-F215 HydrophobicContact CB-CE2 3.69Å; A187-F215 HydrophobicContact CB-CZ 3.69Å
188	S	96.9	Very high	96.6	Very high	44 Å²	44	25.8 Å²	25.8	31%	0.308	15%	0.151	S	C	.	.	I	π-helix	trans	-76.8	-46.8	-179.5	-168.8	0	0	0	0	113.5	I184 R185 F186 D194 R420	I184-S188 WeakPolarHBondContact O-CB 3.42Å; I184-S188 PolarHBondContact O-N 3.23Å; R185-S188 PolarHBondContact O-N 3.2Å; F186-S188 VanDerWaalsContact C-N 3.31Å; F186-S188 PolarHBondContact O-N 3.15Å; S188-D194 VanDerWaalsContact CA-OD1 3.23Å; S188-D194 WeakPolarHBondContact CA-OD1 3.46Å; S188-D194 WeakPolarHBondContact CB-OD1 3.43Å; S188-D194 PolarHBondContact OG-OD1 3.24Å; S188-R420 PolarHBondContact O-NH2 2.87Å
189	E	97.2	Very high	96.5	Very high	33 Å²	33	27 Å²	27	15%	0.154	16%	0.159	C	C	.	.	I	π-helix	trans	-86.2	-43.9	-169.5	-63.2	165.2	-161.1	0	0	112.2	S71 R185 R420 L424	S71-E189 WeakPolarHBondContact CB-OE1 3.47Å; S71-E189 PolarHBondContact N-OE2 3.47Å; S71-E189 PolarHBondContact OG-OE1 3.24Å; R185-E189 WeakPolarHBondContact CG-OE1 3.34Å; R185-E189 WeakPolarHBondContact O-CA 3.31Å; R185-E189 WeakPolarHBondContact O-CB 3.5Å; R185-E189 VanDerWaalsContact O-CG 3.29Å; R185-E189 WeakPolarHBondContact O-CG 3.41Å; R185-E189 PolarHBondContact O-N 3.17Å; E189-R420 VanDerWaalsContact O-CD 3.27Å; E189-R420 WeakPolarHBondContact O-CD 3.16Å; E189-R420 PolarHBondContact O-NE 3.35Å; E189-L424 HydrophobicContact CB-CD2 4.03Å; E189-L424 HydrophobicContact CG-CD2 4.21Å
190	I	97.6	Very high	96.4	Very high	22 Å²	22	28.8 Å²	28.8	11%	0.113	19%	0.185	C	C	.	.	I	π-helix	trans	-102.9	-51.8	-172.2	-56.5	-173.1	0	0	0	111.6	L70 F186 G192 W286 A417 R420	L70-I190 HydrophobicContact CD2-CD1 3.59Å; L70-I190 HydrophobicContact CD2-CG1 4Å; F186-I190 HydrophobicContact CD2-CB 4.01Å; F186-I190 HydrophobicContact CD2-CD1 3.84Å; F186-I190 HydrophobicContact CD2-CG1 4.29Å; F186-I190 HydrophobicContact CD2-CG2 4.41Å; F186-I190 HydrophobicContact CE2-CB 3.87Å; F186-I190 HydrophobicContact CE2-CD1 3.97Å; F186-I190 HydrophobicContact CE2-CG1 4.45Å; F186-I190 HydrophobicContact CE2-CG2 3.77Å; F186-I190 HydrophobicContact CZ-CB 4.29Å; F186-I190 HydrophobicContact CZ-CG2 4.05Å; F186-I190 PolarHBondContact O-N 3.39Å; I190-G192 VanDerWaalsContact C-N 3.29Å; I190-G192 PolarHBondContact O-N 3.14Å; I190-W286 HydrophobicContact CD1-CH2 4.4Å; I190-W286 HydrophobicContact CD1-CZ2 3.39Å; I190-A417 HydrophobicContact CG2-CB 4.45Å; I190-R420 WeakPolarHBondContact O-CD 2.96Å
191	A	96.8	Very high	96.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-72.1	-27	177.8	0	0	0	0	0	112	F186 A187 V193 F215 T440	F186-A191 HydrophobicContact CD1-CB 4.36Å; F186-A191 HydrophobicContact CE1-CB 4.01Å; F186-A191 PolarHBondContact O-N 2.77Å; A187-A191 CarbonylContact O-C 3.52Å; A191-V193 VanDerWaalsContact C-N 3.32Å; A191-V193 PolarHBondContact O-N 3.2Å; A191-F215 HydrophobicContact CB-CZ 4.18Å; A191-T440 WeakPolarHBondContact O-CG2 3.44Å
192	G	95.8	Very high	96.2	Very high	13 Å²	13	40.5 Å²	40.5	13%	0.134	25%	0.245	C	C	.	.			trans	64.3	34.6	-178.1	0	0	0	0	0	114.4	A187 I190 R420	A187-G192 WeakPolarHBondContact O-CA 3.34Å; A187-G192 PolarHBondContact O-N 2.74Å; I190-G192 VanDerWaalsContact C-N 3.29Å; I190-G192 PolarHBondContact O-N 3.14Å; G192-R420 VanDerWaalsContact CA-NE 3.33Å; G192-R420 VanDerWaalsContact CA-NH2 3.29Å
193	V	94.2	Very high	95.9	Very high	19 Å²	19	43.8 Å²	43.8	12%	0.115	26%	0.263	C	S	.	.			trans	-128.1	101.4	176.8	179.5	0	0	0	0	108.3	A187 A191 D195 F215	A187-V193 CarbonylContact C-O 3.55Å; A187-V193 WeakPolarHBondContact CB-O 3.4Å; A187-V193 CarbonylContact O-C 3.59Å; A187-V193 PolarHBondContact O-N 3.35Å; A191-V193 VanDerWaalsContact C-N 3.32Å; A191-V193 PolarHBondContact O-N 3.2Å; V193-D195 HydrophobicContact CG1-CB 4.01Å; V193-D195 WeakPolarHBondContact CG1-OD2 3.47Å; V193-D195 PolarHBondContact O-N 3.47Å; V193-F215 HydrophobicContact CB-CE2 3.92Å; V193-F215 HydrophobicContact CG1-CD2 4.11Å; V193-F215 HydrophobicContact CG1-CE2 3.98Å
194	D	92.6	Very high	95.8	Very high	114 Å²	114	49 Å²	49	61%	0.61	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	44.3	-176.5	-63.3	-47.6	0	0	0	113.6	S188	S188-D194 VanDerWaalsContact CA-OD1 3.23Å; S188-D194 WeakPolarHBondContact CA-OD1 3.46Å; S188-D194 WeakPolarHBondContact CB-OD1 3.43Å; S188-D194 PolarHBondContact OG-OD1 3.24Å
195	D	92.2	Very high	95.8	Very high	32 Å²	32	49.8 Å²	49.8	17%	0.171	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-27.3	-178.3	-74.9	-13.9	0	0	0	112.7	V193 T209 K213 F215	V193-D195 HydrophobicContact CG1-CB 4.01Å; V193-D195 WeakPolarHBondContact CG1-OD2 3.47Å; V193-D195 PolarHBondContact O-N 3.47Å; D195-T209 HydrophobicContact CB-CG2 4.24Å; D195-T209 VanDerWaalsContact O-CG2 3.23Å; D195-T209 WeakPolarHBondContact O-CG2 3Å; D195-K213 VanDerWaalsContact CG-NZ 3.31Å; D195-K213 WeakPolarHBondContact OD1-CE 3.4Å; D195-K213 IonicContact OD1-NZ 3.66Å; D195-K213 PolarHBondContact OD1-NZ 3.48Å; D195-K213 WeakPolarHBondContact OD2-CE 3.15Å; D195-K213 IonicContact OD2-NZ 3.39Å; D195-K213 PolarHBondContact OD2-NZ 2.63Å; D195-F215 HydrophobicContact CB-CD2 4.19Å
196	L	95.3	Very high	95.7	Very high	14 Å²	14	51.9 Å²	51.9	7%	0.073	30%	0.304	C	S	.	.			trans	-89.3	132	176.5	-67.9	179.3	0	0	0	110.7	C183 I184 A187 T209 F215 I223	C183-L196 HydrophobicContact CB-CD1 4.11Å; I184-L196 HydrophobicContact CG1-CB 4.17Å; I184-L196 WeakPolarHBondContact CG2-O 3.38Å; A187-L196 HydrophobicContact CB-CB 4.13Å; A187-L196 HydrophobicContact CB-CD1 4.08Å; A187-L196 HydrophobicContact CB-CG 4.34Å; L196-T209 HydrophobicContact CD2-CG2 4.29Å; L196-F215 HydrophobicContact CG-CD2 4.4Å; L196-I223 HydrophobicContact CD1-CD1 4.24Å
197	G	96.1	Very high	95.6	Very high	25 Å²	25	52.2 Å²	52.2	26%	0.258	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	-176.1	177	0	0	0	0	0	113.2	I184 V207 G208	I184-G197 VanDerWaalsContact CD1-C 3.45Å; G197-V207 WeakPolarHBondContact O-CA 3.35Å; G197-G208 PolarHBondContact N-O 3.03Å; G197-G208 PolarHBondContact O-N 3.45Å; G197-G208 VanDerWaalsContact O-N 3.1Å
198	T	96.2	Very high	95.4	Very high	70 Å²	70	52.6 Å²	52.6	43%	0.429	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.6	169.3	53.5	0	0	0	0	110	T181 I184 M205 Q206 V207	T181-T198 HydrophobicContact CG2-CG2 4.04Å; I184-T198 HydrophobicContact CD1-CG2 3.53Å; T198-M205 HydrophobicContact CG2-CE 4.32Å; T198-M205 HydrophobicContact CG2-CG 4.47Å; T198-M205 HydrophobicContact CG2-SD 4.03Å; T198-Q206 WeakPolarHBondContact CA-O 3.25Å; T198-V207 HydrophobicContact CG2-CG2 4.16Å
199	T	96.1	Very high	95.2	Very high	43 Å²	43	51.1 Å²	51.1	26%	0.264	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.1	175.9	55.8	0	0	0	0	109.8	M205 Q206 Y210	T199-M205 WeakPolarHBondContact O-CA 3.44Å; T199-Q206 PolarHBondContact N-O 2.85Å; T199-Q206 PolarHBondContact O-N 3.23Å; T199-Y210 HydrophobicContact CG2-CD2 3.74Å; T199-Y210 HydrophobicContact CG2-CG 4.36Å
200	G	95.2	Very high	94.8	Very high	65 Å²	65	59.1 Å²	59.1	67%	0.67	33%	0.33	S	S	*	.	S	Bend	trans	83.5	-166.7	-174.9	0	0	0	0	0	113.3
201	R	95.7	Very high	94.4	Very high	219 Å²	219	62.4 Å²	62.4	83%	0.826	35%	0.351	S	S	*	.			trans	-153.7	160.6	-178.3	66.6	179.6	-176.4	177.6	0.1	111.5
202	G	95.5	Very high	93.7	Very high	64 Å²	64	70.1 Å²	70.1	66%	0.66	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	67.6	-143.2	179.4	0	0	0	0	0	111.9	D204 M205	G202-D204 VanDerWaalsContact C-N 3.25Å; G202-D204 PolarHBondContact O-N 3.36Å; G202-M205 WeakPolarHBondContact O-CB 3.33Å; G202-M205 PolarHBondContact O-N 3.01Å
203	N	93.1	Very high	93.3	Very high	80 Å²	80	74.3 Å²	74.3	43%	0.428	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-73.3	-17.2	-179.3	-162.9	44.5	0	0	0	113.2	N124 R159 M205	N124-N203 PolarHBondContact ND2-ND2 3.19Å; N124-N203 PolarHBondContact ND2-OD1 2.91Å; R159-N203 WeakPolarHBondContact CD-O 3.41Å; R159-N203 PolarHBondContact NH1-O 3.09Å; N203-M205 VanDerWaalsContact C-N 3.31Å
204	D	94.9	Very high	93	Very high	123 Å²	123	74.5 Å²	74.5	66%	0.658	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-93.4	9.6	177.1	-58.3	-39.5	0	0	0	112.4	G202 Q206	G202-D204 VanDerWaalsContact C-N 3.25Å; G202-D204 PolarHBondContact O-N 3.36Å; D204-Q206 PolarHBondContact O-N 2.97Å
205	M	96.6	Very high	92.9	Very high	48 Å²	48	69.5 Å²	69.5	24%	0.236	37%	0.374	C	S	.	.			trans	-68.1	126	172.9	-173.4	-174.4	72.6	0	0	110.4	Q179 T198 T199 G202 N203	Q179-M205 HydrophobicContact CB-CE 3.61Å; Q179-M205 HydrophobicContact CG-CE 3.81Å; T198-M205 HydrophobicContact CG2-CE 4.32Å; T198-M205 HydrophobicContact CG2-CG 4.47Å; T198-M205 HydrophobicContact CG2-SD 4.03Å; T199-M205 WeakPolarHBondContact O-CA 3.44Å; G202-M205 WeakPolarHBondContact O-CB 3.33Å; G202-M205 PolarHBondContact O-N 3.01Å; N203-M205 VanDerWaalsContact C-N 3.31Å
206	Q	96	Very high	92.4	Very high	61 Å²	61	70.6 Å²	70.6	29%	0.285	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	141.8	-178.2	-61.7	178.3	6.7	0	0	110.4	V161 T198 T199 D204	V161-Q206 HydrophobicContact CG1-CG 3.84Å; T198-Q206 WeakPolarHBondContact CA-O 3.25Å; T199-Q206 PolarHBondContact N-O 2.85Å; T199-Q206 PolarHBondContact O-N 3.23Å; D204-Q206 PolarHBondContact O-N 2.97Å
207	V	96.4	Very high	92.4	Very high	7 Å²	7	69.9 Å²	69.9	4%	0.042	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.2	171	171.7	0	0	0	0	107.5	Q179 I184 G197 T198	Q179-V207 HydrophobicContact CB-CG2 4.3Å; Q179-V207 HydrophobicContact CG-CG2 4.01Å; I184-V207 HydrophobicContact CD1-CG1 4.02Å; I184-V207 HydrophobicContact CD1-CG2 4.15Å; I184-V207 HydrophobicContact CG1-CG1 4.13Å; G197-V207 WeakPolarHBondContact O-CA 3.35Å; T198-V207 HydrophobicContact CG2-CG2 4.16Å
208	G	93.5	Very high	92.4	Very high	8 Å²	8	68.8 Å²	68.8	8%	0.082	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.6	-166.5	179.5	0	0	0	0	0	111.5	G197	G197-G208 PolarHBondContact N-O 3.03Å; G197-G208 PolarHBondContact O-N 3.45Å; G197-G208 VanDerWaalsContact O-N 3.1Å
209	T	91.5	Very high	92.5	Very high	13 Å²	13	65.5 Å²	65.5	8%	0.08	34%	0.343	C	S	.	.			trans	-85.9	137.8	167.6	44.8	0	0	0	0	108.8	I166 D195 L196 V211 K213	I166-T209 HydrophobicContact CG2-CG2 4.37Å; D195-T209 HydrophobicContact CB-CG2 4.24Å; D195-T209 VanDerWaalsContact O-CG2 3.23Å; D195-T209 WeakPolarHBondContact O-CG2 3Å; L196-T209 HydrophobicContact CD2-CG2 4.29Å; T209-V211 VanDerWaalsContact C-N 3.3Å; T209-V211 WeakPolarHBondContact CB-O 3.48Å; T209-V211 PolarHBondContact O-N 3.2Å; T209-V211 PolarHBondContact OG1-O 3.23Å; T209-V211 VanDerWaalsContact OG1-O 3.05Å; T209-K213 HydrophobicContact CG2-CB 4.28Å
210	Y	88.8	Confident	92.5	Very high	202 Å²	202	63.7 Å²	63.7	79%	0.792	33%	0.332	S	S	*	.	S	Bend	trans	-66.2	-36	179.8	175.7	-109.7	0	0	0	112.1	T199	T199-Y210 HydrophobicContact CG2-CD2 3.74Å; T199-Y210 HydrophobicContact CG2-CG 4.36Å
211	V	89.3	Confident	92.6	Very high	91 Å²	91	60.6 Å²	60.6	55%	0.552	30%	0.3	S	S	*	.	S	Bend	trans	-110.5	160.2	172.2	-63	0	0	0	0	109.2	T209 K213	T209-V211 VanDerWaalsContact C-N 3.3Å; T209-V211 WeakPolarHBondContact CB-O 3.48Å; T209-V211 PolarHBondContact O-N 3.2Å; T209-V211 PolarHBondContact OG1-O 3.23Å; T209-V211 VanDerWaalsContact OG1-O 3.05Å; V211-K213 HydrophobicContact CG2-CB 4.07Å; V211-K213 PolarHBondContact O-N 3.27Å
212	E	83	Confident	92.7	Very high	162 Å²	162	50.1 Å²	50.1	76%	0.757	26%	0.261	S	S	*	.	S	Bend	trans	-62.9	88.1	170.3	-71.8	-173.4	-179.8	0	0	110.3	Q720	E212-Q720 PolarHBondContact OE2-NE2 3.43Å
213	K	87.2	Confident	92.8	Very high	100 Å²	100	47.1 Å²	47.1	44%	0.435	23%	0.229	S	C	.	.			trans	-125.6	135	178.7	-173.3	175.4	-177.3	-172.5	0	108.9	D195 T209 V211	D195-K213 VanDerWaalsContact CG-NZ 3.31Å; D195-K213 WeakPolarHBondContact OD1-CE 3.4Å; D195-K213 IonicContact OD1-NZ 3.66Å; D195-K213 PolarHBondContact OD1-NZ 3.48Å; D195-K213 WeakPolarHBondContact OD2-CE 3.15Å; D195-K213 IonicContact OD2-NZ 3.39Å; D195-K213 PolarHBondContact OD2-NZ 2.63Å; T209-K213 HydrophobicContact CG2-CB 4.28Å; V211-K213 HydrophobicContact CG2-CB 4.07Å; V211-K213 PolarHBondContact O-N 3.27Å
214	M	87.7	Confident	93.1	Very high	24 Å²	24	43.9 Å²	43.9	12%	0.118	21%	0.212	C	C	.	.			trans	-73.3	132.2	172.4	-171	177.6	-53.6	0	0	109.9	I166 M216 A714 A719	I166-M214 WeakPolarHBondContact O-CA 3.24Å; I166-M214 WeakPolarHBondContact O-CG 3.5Å; M214-M216 VanDerWaalsContact C-N 3.31Å; M214-M216 HydrophobicContact CB-CG 3.81Å; M214-M216 HydrophobicContact CB-SD 4.42Å; M214-M216 HydrophobicContact CG-CG 3.76Å; M214-M216 HydrophobicContact CG-SD 4.04Å; M214-M216 WeakPolarHBondContact O-CG 3.44Å; M214-M216 PolarHBondContact O-N 2.96Å; M214-M216 HydrophobicContact SD-CG 4Å; M214-M216 HydrophobicContact SD-SD 3.43Å; M214-A714 HydrophobicContact CE-CB 3.5Å; M214-A714 HydrophobicContact SD-CB 3.92Å; M214-A719 HydrophobicContact CE-CB 3.39Å
215	F	90.5	Very high	93.1	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.035	19%	0.194	C	C	.	.			trans	-75.6	87.5	173.1	-180	-127.9	0	0	0	109.2	I166 A187 A191 V193 D195 L196 S217 I223	I166-F215 HydrophobicContact CB-CB 4.22Å; I166-F215 PolarHBondContact O-N 3.4Å; A187-F215 HydrophobicContact CB-CE2 3.69Å; A187-F215 HydrophobicContact CB-CZ 3.69Å; A191-F215 HydrophobicContact CB-CZ 4.18Å; V193-F215 HydrophobicContact CB-CE2 3.92Å; V193-F215 HydrophobicContact CG1-CD2 4.11Å; V193-F215 HydrophobicContact CG1-CE2 3.98Å; D195-F215 HydrophobicContact CB-CD2 4.19Å; L196-F215 HydrophobicContact CG-CD2 4.4Å; F215-S217 PolarHBondContact O-N 3.42Å; F215-I223 HydrophobicContact CD1-CD1 3.84Å; F215-I223 HydrophobicContact CE1-CD1 3.92Å; F215-I223 HydrophobicContact CE1-CG2 3.91Å; F215-I223 HydrophobicContact CZ-CG2 4.48Å
216	M	82	Confident	93.1	Very high	55 Å²	55	38.2 Å²	38.2	27%	0.271	18%	0.183	S	C	.	.			trans	-93	91.1	-171.8	-67.3	-99.5	-76.4	0	0	110.3	M214 I692 V715	M214-M216 VanDerWaalsContact C-N 3.31Å; M214-M216 HydrophobicContact CB-CG 3.81Å; M214-M216 HydrophobicContact CB-SD 4.42Å; M214-M216 HydrophobicContact CG-CG 3.76Å; M214-M216 HydrophobicContact CG-SD 4.04Å; M214-M216 WeakPolarHBondContact O-CG 3.44Å; M214-M216 PolarHBondContact O-N 2.96Å; M214-M216 HydrophobicContact SD-CG 4Å; M214-M216 HydrophobicContact SD-SD 3.43Å; M216-I692 HydrophobicContact CE-CG2 3.83Å; M216-V715 HydrophobicContact CE-CB 3.91Å; M216-V715 HydrophobicContact CE-CG1 3.73Å; M216-V715 HydrophobicContact CE-CG2 3.68Å; M216-V715 HydrophobicContact SD-CB 4.34Å; M216-V715 HydrophobicContact SD-CG2 3.62Å
217	S	94.3	Very high	93.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.173	C	C	.	.			trans	-138.1	153.9	171.1	174.6	0	0	0	0	109.2	F215 L219 S220	F215-S217 PolarHBondContact O-N 3.42Å; S217-L219 PolarHBondContact O-N 3.37Å; S217-L219 PolarHBondContact OG-N 3.27Å; S217-L219 VanDerWaalsContact OG-N 3.15Å; S217-S220 WeakPolarHBondContact O-CB 3.39Å; S217-S220 PolarHBondContact O-OG 3.3Å
218	E	96.8	Very high	93.3	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.009	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-13.9	171	70.1	-69.4	175.9	0	0	113.3	D289 R409 F410 P413 I692 F695	E218-D289 PolarHBondContact O-N 3.44Å; E218-R409 VanDerWaalsContact CD-NE 3.31Å; E218-R409 HydrophobicContact CG-CG 4.07Å; E218-R409 WeakPolarHBondContact OE1-CG 3.41Å; E218-R409 IonicContact OE1-NE 3.86Å; E218-R409 PolarHBondContact OE1-NE 2.82Å; E218-R409 IonicContact OE2-CZ 3.25Å; E218-R409 VanDerWaalsContact OE2-CZ 3.27Å; E218-R409 IonicContact OE2-NE 2.83Å; E218-R409 PolarHBondContact OE2-NE 2.78Å; E218-R409 IonicContact OE2-NH2 2.66Å; E218-R409 PolarHBondContact OE2-NH2 3.08Å; E218-F410 HydrophobicContact CB-CD1 4.49Å; E218-P413 HydrophobicContact CG-CB 3.84Å; E218-P413 HydrophobicContact CG-CG 4.33Å; E218-I692 HydrophobicContact CB-CD1 3.89Å; E218-F695 HydrophobicContact CB-CD1 4.29Å; E218-F695 HydrophobicContact CB-CE1 4.04Å; E218-F695 HydrophobicContact CB-CZ 4.2Å
219	L	97.8	Very high	93.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	18.3	178	-65.9	172.9	0	0	0	112.5	F186 S217 G221 N222 I287 P413 L414 A417	F186-L219 WeakPolarHBondContact CE1-O 3.47Å; F186-L219 HydrophobicContact CZ-CB 4.4Å; S217-L219 PolarHBondContact O-N 3.37Å; S217-L219 PolarHBondContact OG-N 3.27Å; S217-L219 VanDerWaalsContact OG-N 3.15Å; L219-G221 VanDerWaalsContact C-N 3.32Å; L219-G221 PolarHBondContact O-N 2.84Å; L219-N222 PolarHBondContact O-N 3.36Å; L219-N222 PolarHBondContact O-ND2 2.76Å; L219-I287 WeakPolarHBondContact CD2-O 3.26Å; L219-P413 HydrophobicContact CD2-CB 4.19Å; L219-P413 HydrophobicContact CG-CB 4.5Å; L219-L414 HydrophobicContact CD2-CD1 3.29Å; L219-A417 HydrophobicContact CD1-CB 3.78Å
220	S	95.9	Very high	93.8	Very high	5 Å²	5	34.8 Å²	34.8	4%	0.035	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-36.8	-168.9	72.6	0	0	0	0	113.1	S217 N222 I223 D289	S217-S220 WeakPolarHBondContact O-CB 3.39Å; S217-S220 PolarHBondContact O-OG 3.3Å; S220-N222 VanDerWaalsContact C-N 3.26Å; S220-N222 PolarHBondContact O-N 3.22Å; S220-I223 WeakPolarHBondContact O-CG1 3.41Å; S220-I223 PolarHBondContact O-N 2.85Å; S220-D289 WeakPolarHBondContact CB-OD2 3.34Å; S220-D289 PolarHBondContact N-OD1 2.78Å; S220-D289 PolarHBondContact N-OD2 2.77Å; S220-D289 PolarHBondContact OG-OD2 3.15Å
221	G	97.3	Very high	94.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.7	-177.3	0	0	0	0	0	114.6	L219 I223 I224 D289 R292	L219-G221 VanDerWaalsContact C-N 3.32Å; L219-G221 PolarHBondContact O-N 2.84Å; G221-I223 PolarHBondContact O-N 2.86Å; G221-I224 VanDerWaalsContact O-CB 3.29Å; G221-I224 WeakPolarHBondContact O-CB 3.47Å; G221-I224 WeakPolarHBondContact O-CD1 3.1Å; G221-I224 WeakPolarHBondContact O-CG1 3.32Å; G221-I224 PolarHBondContact O-N 2.88Å; G221-I224 VanDerWaalsContact O-N 3.12Å; G221-D289 VanDerWaalsContact CA-OD1 3.28Å; G221-D289 WeakPolarHBondContact CA-OD1 3.27Å; G221-D289 PolarHBondContact N-OD1 2.83Å; G221-R292 PolarHBondContact O-NE 2.76Å
222	N	98.4	Very high	94.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.9	-18.1	173.6	-63.6	-62	0	0	0	112.4	F186 L219 S220 I224 D225 I226 W286 I287 R292	F186-N222 HydrophobicContact CE1-CB 3.98Å; F186-N222 HydrophobicContact CE2-CB 3.94Å; F186-N222 HydrophobicContact CZ-CB 3.43Å; F186-N222 VanDerWaalsContact CZ-CB 3.43Å; L219-N222 PolarHBondContact O-N 3.36Å; L219-N222 PolarHBondContact O-ND2 2.76Å; S220-N222 VanDerWaalsContact C-N 3.26Å; S220-N222 PolarHBondContact O-N 3.22Å; N222-I224 PolarHBondContact O-N 3.42Å; N222-I224 VanDerWaalsContact O-N 3.14Å; N222-D225 PolarHBondContact O-N 3.25Å; N222-D225 VanDerWaalsContact O-N 3.14Å; N222-I226 PolarHBondContact O-N 3.49Å; N222-W286 HydrophobicContact CB-CE3 3.86Å; N222-W286 HydrophobicContact CB-CZ3 4.38Å; N222-I287 PolarHBondContact ND2-O 3.05Å; N222-I287 PolarHBondContact OD1-N 3.06Å; N222-I287 PolarHBondContact OD1-O 2.86Å; N222-I287 VanDerWaalsContact OD1-O 3.09Å; N222-R292 PolarHBondContact OD1-NH2 2.68Å
223	I	97.9	Very high	95.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.1	-17.6	173.8	74.2	-172.3	0	0	0	113.1	I166 V170 C183 F186 L196 F215 S220 G221 I226 C227 L232	I166-I223 HydrophobicContact CD1-CD1 4.08Å; V170-I223 HydrophobicContact CB-CD1 4.45Å; V170-I223 HydrophobicContact CG1-CD1 4.13Å; V170-I223 HydrophobicContact CG1-CG1 4.2Å; V170-I223 HydrophobicContact CG2-CD1 3.98Å; V170-I223 HydrophobicContact CG2-CG1 4.01Å; C183-I223 HydrophobicContact CB-CB 4.3Å; C183-I223 HydrophobicContact CB-CG2 4.44Å; F186-I223 HydrophobicContact CD1-CG2 3.5Å; F186-I223 VanDerWaalsContact CD1-CG2 3.5Å; F186-I223 HydrophobicContact CE1-CG2 4.04Å; F186-I223 HydrophobicContact CG-CG2 4.29Å; L196-I223 HydrophobicContact CD1-CD1 4.24Å; F215-I223 HydrophobicContact CD1-CD1 3.84Å; F215-I223 HydrophobicContact CE1-CD1 3.92Å; F215-I223 HydrophobicContact CE1-CG2 3.91Å; F215-I223 HydrophobicContact CZ-CG2 4.48Å; S220-I223 WeakPolarHBondContact O-CG1 3.41Å; S220-I223 PolarHBondContact O-N 2.85Å; G221-I223 PolarHBondContact O-N 2.86Å; I223-I226 HydrophobicContact CB-CD1 4.17Å; I223-I226 HydrophobicContact CB-CG1 4.48Å; I223-I226 HydrophobicContact CG2-CD1 4.16Å; I223-I226 WeakPolarHBondContact O-CG1 3.36Å; I223-C227 WeakPolarHBondContact O-CB 3.42Å; I223-C227 PolarHBondContact O-N 3.17Å; I223-L232 HydrophobicContact CB-CD1 4.16Å; I223-L232 HydrophobicContact CD1-CD1 4.08Å; I223-L232 HydrophobicContact CG1-CD1 3.96Å
224	I	98.3	Very high	95.9	Very high	13 Å²	13	9.9 Å²	9.9	7%	0.067	5%	0.054	C	C	.	.	H	α-helix	trans	-69.7	-46.5	174.5	-62.8	160.3	0	0	0	109.8	V170 G221 N222 C227 F293	V170-I224 HydrophobicContact CG1-CG1 4.07Å; V170-I224 HydrophobicContact CG2-CD1 4.01Å; V170-I224 HydrophobicContact CG2-CG1 4.09Å; G221-I224 VanDerWaalsContact O-CB 3.29Å; G221-I224 WeakPolarHBondContact O-CB 3.47Å; G221-I224 WeakPolarHBondContact O-CD1 3.1Å; G221-I224 WeakPolarHBondContact O-CG1 3.32Å; G221-I224 PolarHBondContact O-N 2.88Å; G221-I224 VanDerWaalsContact O-N 3.12Å; N222-I224 PolarHBondContact O-N 3.42Å; N222-I224 VanDerWaalsContact O-N 3.14Å; I224-C227 WeakPolarHBondContact O-CB 3.2Å; I224-C227 PolarHBondContact O-N 2.95Å; I224-F293 HydrophobicContact CD1-CE1 4.44Å; I224-F293 HydrophobicContact CD1-CZ 3.9Å
225	D	96.6	Very high	96.3	Very high	51 Å²	51	12.5 Å²	12.5	27%	0.273	6%	0.064	S	C	.	.	H	α-helix	trans	-70.8	-39.2	-176.2	-64.5	-14.2	0	0	0	112.1	N222 C227 P276 R292	N222-D225 PolarHBondContact O-N 3.25Å; N222-D225 VanDerWaalsContact O-N 3.14Å; D225-C227 PolarHBondContact O-N 2.91Å; D225-P276 WeakPolarHBondContact OD2-CD 3.23Å; D225-P276 WeakPolarHBondContact OD2-CG 3.35Å; D225-R292 IonicContact OD1-CZ 3.09Å; D225-R292 IonicContact OD1-NH1 3.63Å; D225-R292 PolarHBondContact OD1-NH1 3.04Å; D225-R292 IonicContact OD2-CZ 4Å; D225-R292 IonicContact OD2-NH1 2.77Å; D225-R292 PolarHBondContact OD2-NH1 2.66Å; D225-R292 IonicContact OD2-NH2 3.86Å; D225-R292 PolarHBondContact OD2-NH2 3.19Å
226	I	96.6	Very high	96.6	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.6	178.6	68.2	-173.2	0	0	0	112.6	R182 C183 F186 N222 I223 P228 W286	R182-I226 HydrophobicContact CB-CD1 4.49Å; R182-I226 HydrophobicContact CB-CG1 4.44Å; R182-I226 WeakPolarHBondContact CD-O 3.35Å; R182-I226 PolarHBondContact NH1-O 2.91Å; R182-I226 VanDerWaalsContact NH1-O 3.12Å; C183-I226 HydrophobicContact CB-CD1 4.49Å; F186-I226 HydrophobicContact CB-CD1 3.27Å; F186-I226 HydrophobicContact CD1-CD1 4.29Å; F186-I226 HydrophobicContact CD2-CD1 4.04Å; F186-I226 HydrophobicContact CD2-CG2 4.43Å; F186-I226 HydrophobicContact CG-CD1 3.6Å; N222-I226 PolarHBondContact O-N 3.49Å; I223-I226 HydrophobicContact CB-CD1 4.17Å; I223-I226 HydrophobicContact CB-CG1 4.48Å; I223-I226 HydrophobicContact CG2-CD1 4.16Å; I223-I226 WeakPolarHBondContact O-CG1 3.36Å; I226-P228 VanDerWaalsContact O-CD 3.26Å; I226-P228 WeakPolarHBondContact O-CD 3.36Å; I226-W286 HydrophobicContact CG2-CH2 3.43Å; I226-W286 VanDerWaalsContact CG2-CH2 3.43Å; I226-W286 HydrophobicContact CG2-CZ3 3.31Å
227	C	98.2	Very high	97.3	Very high	12 Å²	12	11.6 Å²	11.6	8%	0.081	6%	0.063	C	C	.	.			trans	-71.2	114.8	-177.3	-157.6	0	0	0	0	108.9	I223 I224 D225 V229 L232	I223-C227 WeakPolarHBondContact O-CB 3.42Å; I223-C227 PolarHBondContact O-N 3.17Å; I224-C227 WeakPolarHBondContact O-CB 3.2Å; I224-C227 PolarHBondContact O-N 2.95Å; D225-C227 PolarHBondContact O-N 2.91Å; C227-V229 PolarHBondContact O-N 3.42Å; C227-V229 PolarHBondContact SG-O 2.9Å; C227-L232 HydrophobicContact CB-CB 4.04Å; C227-L232 HydrophobicContact CB-CD1 4.48Å
228	P	98	Very high	97.2	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.013	7%	0.071	C	C	.	.	S	Bend	trans	-72.1	-1.6	-178.2	30.3	-35.1	0	0	0	113.2	F64 D139 L140 I178 I226	F64-P228 HydrophobicContact CD1-CB 3.94Å; F64-P228 HydrophobicContact CD1-CG 4.39Å; D139-P228 HydrophobicContact CB-CB 3.87Å; D139-P228 WeakPolarHBondContact CB-O 3.49Å; D139-P228 PolarHBondContact N-O 3.34Å; D139-P228 WeakPolarHBondContact OD2-CB 3.35Å; L140-P228 PolarHBondContact N-O 3.4Å; I178-P228 HydrophobicContact CD1-CG 4.04Å; I178-P228 HydrophobicContact CG1-CG 4.48Å; I226-P228 VanDerWaalsContact O-CD 3.26Å; I226-P228 WeakPolarHBondContact O-CD 3.36Å
229	V	98.4	Very high	97.1	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.096	C	C	.	.	S	Bend	trans	-140.2	159.8	-174.2	-66.5	0	0	0	0	109.1	L140 I178 C227 A231	L140-V229 HydrophobicContact CB-CG1 3.73Å; L140-V229 HydrophobicContact CD2-CG1 3.82Å; L140-V229 HydrophobicContact CG-CG1 4.4Å; I178-V229 HydrophobicContact CD1-CG1 4.28Å; I178-V229 HydrophobicContact CG1-CG1 4.24Å; I178-V229 HydrophobicContact CG1-CG2 4.47Å; I178-V229 HydrophobicContact CG2-CG1 4.11Å; C227-V229 PolarHBondContact O-N 3.42Å; C227-V229 PolarHBondContact SG-O 2.9Å; V229-A231 HydrophobicContact CG2-CB 3.8Å; V229-A231 PolarHBondContact O-N 2.83Å
230	G	97.6	Very high	97	Very high	2 Å²	2	21 Å²	21	2%	0.021	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	40.6	176.9	0	0	0	0	0	114.7	R176	R176-G230 WeakPolarHBondContact CD-O 3.17Å; R176-G230 PolarHBondContact NH1-O 3.27Å
231	A	97.9	Very high	97	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-31.7	173	0	0	0	0	0	112	T172 I173 M174 R176 C177 V229	T172-A231 CarbonylContact C-O 3.57Å; T172-A231 VanDerWaalsContact CA-O 3.3Å; T172-A231 WeakPolarHBondContact CA-O 3.1Å; I173-A231 PolarHBondContact N-O 3.3Å; I173-A231 WeakPolarHBondContact O-CA 3.31Å; M174-A231 HydrophobicContact CE-CB 4.17Å; M174-A231 VanDerWaalsContact CE-O 3.22Å; M174-A231 WeakPolarHBondContact CE-O 3.48Å; R176-A231 HydrophobicContact CB-CB 4.04Å; C177-A231 HydrophobicContact CB-CB 3.86Å; V229-A231 HydrophobicContact CG2-CB 3.8Å; V229-A231 PolarHBondContact O-N 2.83Å
232	L	98	Very high	97	Very high	11 Å²	11	23.2 Å²	23.2	6%	0.058	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	105.6	173.1	-58.5	175.9	0	0	0	107	I166 V170 K171 T172 M174 C183 I223 C227	I166-L232 HydrophobicContact CD1-CD2 4.28Å; V170-L232 HydrophobicContact CG1-CB 3.92Å; V170-L232 HydrophobicContact CG1-CD2 4.01Å; K171-L232 WeakPolarHBondContact O-CA 3.01Å; T172-L232 HydrophobicContact CG2-CD2 3.85Å; M174-L232 HydrophobicContact CE-CD2 3.5Å; M174-L232 HydrophobicContact CE-CG 4.31Å; C183-L232 HydrophobicContact CB-CD1 3.66Å; I223-L232 HydrophobicContact CB-CD1 4.16Å; I223-L232 HydrophobicContact CD1-CD1 4.08Å; I223-L232 HydrophobicContact CG1-CD1 3.96Å; C227-L232 HydrophobicContact CB-CB 4.04Å; C227-L232 HydrophobicContact CB-CD1 4.48Å
233	T	97.9	Very high	96.9	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.018	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	161.5	-179.1	67	0	0	0	0	110.6	D133 K171 K235	D133-T233 HydrophobicContact CB-CG2 3.98Å; D133-T233 PolarHBondContact OD2-OG1 2.89Å; K171-T233 PolarHBondContact N-O 2.87Å; K171-T233 PolarHBondContact O-N 3.05Å; T233-K235 PolarHBondContact O-N 2.96Å
234	S	97.8	Very high	96.8	Very high	17 Å²	17	32.3 Å²	32.3	12%	0.119	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	118.5	176.5	164.6	0	0	0	0	110	P236 Y237 A238 F293	S234-P236 WeakPolarHBondContact OG-CD 3.46Å; S234-Y237 PolarHBondContact O-N 2.74Å; S234-Y237 VanDerWaalsContact OG-CB 3.23Å; S234-Y237 WeakPolarHBondContact OG-CB 3.48Å; S234-Y237 PolarHBondContact OG-N 2.82Å; S234-A238 PolarHBondContact O-N 3.18Å; S234-F293 WeakPolarHBondContact OG-CE1 3.48Å
235	K	96.1	Very high	96.7	Very high	79 Å²	79	35.3 Å²	35.3	34%	0.343	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-42.2	177.1	-168.5	177.4	-65.1	176.7	0	111.9	G167 P168 L169 K171 T233 Y237 A238	G167-K235 PolarHBondContact O-NZ 3.47Å; P168-K235 WeakPolarHBondContact O-CB 3.27Å; P168-K235 WeakPolarHBondContact O-CD 3.48Å; L169-K235 WeakPolarHBondContact O-CB 3.49Å; L169-K235 PolarHBondContact O-N 3.44Å; K171-K235 HydrophobicContact CB-CB 3.97Å; K171-K235 HydrophobicContact CB-CG 4.34Å; T233-K235 PolarHBondContact O-N 2.96Å; K235-Y237 VanDerWaalsContact C-N 3.28Å; K235-Y237 PolarHBondContact O-N 3.48Å; K235-A238 WeakPolarHBondContact O-CB 3.23Å; K235-A238 PolarHBondContact O-N 2.91Å
236	P	96.1	Very high	96.8	Very high	37 Å²	37	33.7 Å²	33.7	24%	0.24	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.5	173.8	-24.1	35.1	0	0	0	114.8	L169 S234 F293 T707	L169-P236 WeakPolarHBondContact O-CD 3.41Å; S234-P236 WeakPolarHBondContact OG-CD 3.46Å; P236-F293 HydrophobicContact CB-CD1 4.37Å; P236-F293 HydrophobicContact CG-CD1 3.77Å; P236-F293 HydrophobicContact CG-CE1 4.12Å; P236-T707 HydrophobicContact CB-CG2 4.4Å; P236-T707 HydrophobicContact CG-CG2 3.59Å
237	Y	97	Very high	96.9	Very high	7 Å²	7	42.9 Å²	42.9	3%	0.027	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-11.5	179.1	179.1	-111.9	0	0	0	113.3	S234 K235 F239 T240 A241 M272 R273	S234-Y237 PolarHBondContact O-N 2.74Å; S234-Y237 VanDerWaalsContact OG-CB 3.23Å; S234-Y237 WeakPolarHBondContact OG-CB 3.48Å; S234-Y237 PolarHBondContact OG-N 2.82Å; K235-Y237 VanDerWaalsContact C-N 3.28Å; K235-Y237 PolarHBondContact O-N 3.48Å; Y237-F239 PolarHBondContact O-N 3.31Å; Y237-T240 WeakPolarHBondContact CD2-OG1 3.2Å; Y237-T240 WeakPolarHBondContact CE2-OG1 3.48Å; Y237-T240 WeakPolarHBondContact O-CB 3.4Å; Y237-T240 PolarHBondContact O-N 3.14Å; Y237-T240 VanDerWaalsContact O-N 3.08Å; Y237-T240 PolarHBondContact O-OG1 3.12Å; Y237-A241 HydrophobicContact CE2-CB 3.9Å; Y237-A241 WeakPolarHBondContact OH-CB 3.45Å; Y237-A241 PolarHBondContact OH-O 2.72Å; Y237-M272 WeakPolarHBondContact CD2-O 3.33Å; Y237-M272 HydrophobicContact CE2-CB 4.01Å; Y237-R273 HydrophobicContact CD2-CB 3.82Å; Y237-R273 HydrophobicContact CD2-CG 4.26Å; Y237-R273 HydrophobicContact CE2-CB 4.11Å; Y237-R273 HydrophobicContact CE2-CG 4.05Å; Y237-R273 HydrophobicContact CG-CB 4.28Å
238	A	93.4	Very high	96.9	Very high	21 Å²	21	48.9 Å²	48.9	17%	0.174	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	125	-169	0	0	0	0	0	111.9	K171 S234 K235 T240	K171-A238 HydrophobicContact CD-CB 4.16Å; S234-A238 PolarHBondContact O-N 3.18Å; K235-A238 WeakPolarHBondContact O-CB 3.23Å; K235-A238 PolarHBondContact O-N 2.91Å; A238-T240 PolarHBondContact O-N 3.49Å
239	F	94.6	Very high	96.9	Very high	120 Å²	120	50.2 Å²	50.2	53%	0.526	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	9.8	177.2	-43.5	-42.8	0	0	0	116.6	I131 D133 Y237	I131-F239 VanDerWaalsContact O-CE1 3.28Å; I131-F239 WeakPolarHBondContact O-CE1 3.31Å; D133-F239 WeakPolarHBondContact OD1-CD1 3.47Å; D133-F239 PolarHBondContact OD1-N 3.43Å; Y237-F239 PolarHBondContact O-N 3.31Å
240	T	95.1	Very high	96.9	Very high	59 Å²	59	54.5 Å²	54.5	36%	0.362	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-35.9	-178	61.3	0	0	0	0	113.2	Y237 A238 R267	Y237-T240 WeakPolarHBondContact CD2-OG1 3.2Å; Y237-T240 WeakPolarHBondContact CE2-OG1 3.48Å; Y237-T240 WeakPolarHBondContact O-CB 3.4Å; Y237-T240 PolarHBondContact O-N 3.14Å; Y237-T240 VanDerWaalsContact O-N 3.08Å; Y237-T240 PolarHBondContact O-OG1 3.12Å; A238-T240 PolarHBondContact O-N 3.49Å; T240-R267 PolarHBondContact O-NH1 3.49Å; T240-R267 PolarHBondContact O-NH2 2.97Å
241	A	96.1	Very high	96.9	Very high	4 Å²	4	54.5 Å²	54.5	3%	0.033	25%	0.25	C	C	.	.			trans	-153.2	173.3	-177.1	0	0	0	0	0	113.2	Y237 E245 T246 M272	Y237-A241 HydrophobicContact CE2-CB 3.9Å; Y237-A241 WeakPolarHBondContact OH-CB 3.45Å; Y237-A241 PolarHBondContact OH-O 2.72Å; A241-E245 WeakPolarHBondContact CA-OE1 3.41Å; A241-E245 WeakPolarHBondContact CB-OE1 3.29Å; A241-T246 HydrophobicContact CB-CG2 4.46Å; A241-M272 HydrophobicContact CB-CB 4.42Å; A241-M272 HydrophobicContact CB-CG 4.2Å; A241-M272 HydrophobicContact CB-SD 4.2Å
242	R	96.8	Very high	96.9	Very high	48 Å²	48	54.8 Å²	54.8	18%	0.181	25%	0.251	C	S	.	.			trans	-119.7	149.4	175.4	-67	-65.2	-178.8	-157	3.7	111.7	P130 C132 D133 W244 E245 T246	P130-R242 PolarHBondContact O-NH2 3.32Å; C132-R242 PolarHBondContact O-NH1 2.77Å; D133-R242 VanDerWaalsContact CA-NH1 3.28Å; D133-R242 PolarHBondContact O-NH1 3.06Å; R242-W244 VanDerWaalsContact C-N 3.31Å; R242-W244 HydrophobicContact CB-CD2 3.97Å; R242-W244 HydrophobicContact CB-CE3 4.27Å; R242-W244 HydrophobicContact CB-CH2 3.95Å; R242-W244 HydrophobicContact CB-CZ2 3.61Å; R242-W244 HydrophobicContact CB-CZ3 4.27Å; R242-W244 HydrophobicContact CG-CH2 3.82Å; R242-W244 HydrophobicContact CG-CZ2 3.57Å; R242-W244 PolarHBondContact O-N 3.1Å; R242-E245 HydrophobicContact CB-CG 4.04Å; R242-E245 PolarHBondContact N-OE1 2.67Å; R242-E245 WeakPolarHBondContact O-CG 3.15Å; R242-E245 PolarHBondContact O-N 3.09Å; R242-T246 WeakPolarHBondContact O-CG2 3.49Å
243	P	96.1	Very high	97	Very high	11 Å²	11	54.4 Å²	54.4	7%	0.071	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-60.8	-37.2	-174.3	22.3	-33.9	0	0	0	113.6	E137 E245 T246	E137-P243 HydrophobicContact CB-CB 3.98Å; E137-P243 HydrophobicContact CB-CG 3.99Å; E137-P243 HydrophobicContact CG-CB 3.99Å; E137-P243 HydrophobicContact CG-CG 3.88Å; P243-E245 PolarHBondContact O-N 2.99Å; P243-T246 PolarHBondContact O-N 3.48Å; P243-T246 PolarHBondContact O-OG1 2.89Å
244	W	96.4	Very high	97	Very high	179 Å²	179	54.3 Å²	54.3	68%	0.678	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-73.8	-18.5	-176	58.6	77.2	0	0	0	115.1	G135 R242	G135-W244 VanDerWaalsContact O-CZ3 3.29Å; G135-W244 WeakPolarHBondContact O-CZ3 3.34Å; R242-W244 VanDerWaalsContact C-N 3.31Å; R242-W244 HydrophobicContact CB-CD2 3.97Å; R242-W244 HydrophobicContact CB-CE3 4.27Å; R242-W244 HydrophobicContact CB-CH2 3.95Å; R242-W244 HydrophobicContact CB-CZ2 3.61Å; R242-W244 HydrophobicContact CB-CZ3 4.27Å; R242-W244 HydrophobicContact CG-CH2 3.82Å; R242-W244 HydrophobicContact CG-CZ2 3.57Å; R242-W244 PolarHBondContact O-N 3.1Å
245	E	97.1	Very high	97	Very high	77 Å²	77	53.8 Å²	53.8	36%	0.36	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-91.3	-10.3	176.5	55.5	172.3	-164.9	0	0	112.8	A241 R242 P243 R267	A241-E245 WeakPolarHBondContact CA-OE1 3.41Å; A241-E245 WeakPolarHBondContact CB-OE1 3.29Å; R242-E245 HydrophobicContact CB-CG 4.04Å; R242-E245 PolarHBondContact N-OE1 2.67Å; R242-E245 WeakPolarHBondContact O-CG 3.15Å; R242-E245 PolarHBondContact O-N 3.09Å; P243-E245 PolarHBondContact O-N 2.99Å; E245-R267 WeakPolarHBondContact OE1-CD 3.38Å; E245-R267 IonicContact OE1-CZ 3.34Å; E245-R267 IonicContact OE1-NE 3.62Å; E245-R267 IonicContact OE1-NH1 3.87Å; E245-R267 PolarHBondContact OE1-NH1 2.86Å; E245-R267 WeakPolarHBondContact OE2-CD 3.34Å; E245-R267 IonicContact OE2-NH1 3.01Å
246	T	97.6	Very high	97.1	Very high	17 Å²	17	50.2 Å²	50.2	10%	0.104	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-84.5	139.1	-177.3	61.7	0	0	0	0	112.3	A241 R242 P243 T266	A241-T246 HydrophobicContact CB-CG2 4.46Å; R242-T246 WeakPolarHBondContact O-CG2 3.49Å; P243-T246 PolarHBondContact O-N 3.48Å; P243-T246 PolarHBondContact O-OG1 2.89Å; T246-T266 CarbonylContact C-O 3.54Å; T246-T266 VanDerWaalsContact CA-O 3.28Å; T246-T266 WeakPolarHBondContact CA-O 3.45Å
247	R	98.1	Very high	97.2	Very high	193 Å²	193	48.5 Å²	48.5	73%	0.728	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	134.5	166	-64.8	177.4	-177.4	-95.4	-1.3	108.3	S265 T266	R247-S265 CarbonylContact O-C 3.53Å; R247-S265 WeakPolarHBondContact O-CA 3.14Å; R247-T266 PolarHBondContact N-O 2.93Å; R247-T266 PolarHBondContact O-N 3.09Å
248	K	98.1	Very high	97.3	Very high	138 Å²	138	48.2 Å²	48.2	60%	0.6	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.2	-179.6	-63.9	-178.3	-176.3	-175.6	0	109	V263	K248-V263 HydrophobicContact CB-CG1 3.69Å; K248-V263 HydrophobicContact CD-CG1 4.5Å; K248-V263 HydrophobicContact CG-CG1 4.13Å
249	V	98.4	Very high	97.5	Very high	30 Å²	30	47.5 Å²	47.5	18%	0.182	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.4	175.4	-179.9	0	0	0	0	108.7	S251 V264 R608 A610	V249-S251 PolarHBondContact O-N 2.96Å; V249-V264 PolarHBondContact N-O 2.88Å; V249-V264 PolarHBondContact O-N 3.14Å; V249-R608 HydrophobicContact CG1-CB 3.77Å; V249-A610 HydrophobicContact CB-CB 3.96Å; V249-A610 HydrophobicContact CG1-CB 4.07Å; V249-A610 HydrophobicContact CG2-CB 4.27Å
250	E	98.5	Very high	97.7	Very high	92 Å²	92	41.8 Å²	41.8	43%	0.43	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	127.7	173.7	-59.5	179.5	155	0	0	109.6	I262 R608	E250-I262 WeakPolarHBondContact CA-O 3.18Å; E250-R608 WeakPolarHBondContact O-CB 3.39Å; E250-R608 WeakPolarHBondContact O-CD 3.35Å; E250-R608 WeakPolarHBondContact O-CG 3.39Å; E250-R608 IonicContact OE2-NH1 3.46Å
251	S	98.4	Very high	97.8	Very high	1 Å²	1	39 Å²	39	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	-167.7	-177.9	-160.4	0	0	0	0	109.8	V249 I262 T607 R608	V249-S251 PolarHBondContact O-N 2.96Å; S251-I262 VanDerWaalsContact C-CG1 3.49Å; S251-I262 PolarHBondContact N-O 3.08Å; S251-I262 WeakPolarHBondContact O-CG1 3.46Å; S251-I262 PolarHBondContact O-N 3.37Å; S251-T607 WeakPolarHBondContact OG-CA 3.48Å; S251-T607 WeakPolarHBondContact OG-CB 3.17Å; S251-R608 PolarHBondContact OG-N 3.12Å
252	I	98.4	Very high	98	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.036	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146	-176.6	-42.4	-67.7	0	0	0	108.8	N261 Y590 Q605 Q606 T607	I252-N261 WeakPolarHBondContact CD1-OD1 3.5Å; I252-Y590 WeakPolarHBondContact O-CD2 3.43Å; I252-Q605 HydrophobicContact CD1-CB 3.83Å; I252-Q605 HydrophobicContact CD1-CG 4.35Å; I252-Q605 HydrophobicContact CG1-CB 3.81Å; I252-Q605 HydrophobicContact CG2-CB 4.19Å; I252-Q606 WeakPolarHBondContact CG1-O 3.41Å; I252-T607 HydrophobicContact CB-CG2 4.28Å
253	D	98.4	Very high	98.1	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.011	17%	0.166	C	C	.	.			trans	-79.7	151.6	171	-174.3	29.3	0	0	0	112.3	L255 S260 I262 T291	D253-L255 VanDerWaalsContact OD1-CG 3.31Å; D253-L255 WeakPolarHBondContact OD1-CG 3.24Å; D253-L255 PolarHBondContact OD1-N 3.37Å; D253-L255 VanDerWaalsContact OD1-N 3.11Å; D253-S260 WeakPolarHBondContact CB-O 3.35Å; D253-S260 PolarHBondContact N-O 3.41Å; D253-I262 HydrophobicContact CB-CG2 4.26Å; D253-T291 HydrophobicContact CB-CG2 3.66Å; D253-T291 VanDerWaalsContact OD2-CB 3.27Å; D253-T291 WeakPolarHBondContact OD2-CB 3.48Å; D253-T291 WeakPolarHBondContact OD2-CG2 3.41Å; D253-T291 PolarHBondContact OD2-OG1 3.32Å
254	V	98.3	Very high	98.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	16%	0.163	C	C	.	.			trans	-131.2	3.3	-179.8	-59	0	0	0	0	113	D256 L346 A521 Y590 Y597	V254-D256 PolarHBondContact O-N 2.94Å; V254-L346 HydrophobicContact CB-CD2 4.28Å; V254-L346 HydrophobicContact CG2-CD2 4Å; V254-L346 WeakPolarHBondContact O-CD2 3.47Å; V254-A521 HydrophobicContact CB-CB 3.99Å; V254-A521 VanDerWaalsContact O-CB 3.25Å; V254-A521 WeakPolarHBondContact O-CB 3.34Å; V254-Y590 HydrophobicContact CG1-CD2 4.28Å; V254-Y590 HydrophobicContact CG1-CG 4.33Å; V254-Y590 HydrophobicContact CG2-CD1 3.71Å; V254-Y590 HydrophobicContact CG2-CD2 3.88Å; V254-Y590 HydrophobicContact CG2-CE1 4.34Å; V254-Y590 HydrophobicContact CG2-CE2 4.47Å; V254-Y590 HydrophobicContact CG2-CG 3.46Å; V254-Y590 VanDerWaalsContact CG2-CG 3.46Å; V254-Y597 HydrophobicContact CB-CE1 4.29Å; V254-Y597 HydrophobicContact CG1-CD1 3.79Å; V254-Y597 HydrophobicContact CG1-CD2 3.9Å; V254-Y597 HydrophobicContact CG1-CE1 3.62Å; V254-Y597 HydrophobicContact CG1-CE2 3.74Å; V254-Y597 HydrophobicContact CG1-CG 3.92Å
255	L	98.3	Very high	98.3	Very high	7 Å²	7	28.6 Å²	28.6	4%	0.037	13%	0.13	C	C	.	.	S	Bend	trans	-78.2	-9	-176.1	-56.8	179.8	0	0	0	113.8	D253 K290 A294 D699 I701	D253-L255 VanDerWaalsContact OD1-CG 3.31Å; D253-L255 WeakPolarHBondContact OD1-CG 3.24Å; D253-L255 PolarHBondContact OD1-N 3.37Å; D253-L255 VanDerWaalsContact OD1-N 3.11Å; L255-K290 HydrophobicContact CB-CD 3.78Å; L255-K290 HydrophobicContact CB-CG 4.28Å; L255-K290 HydrophobicContact CD1-CD 4.29Å; L255-K290 HydrophobicContact CD1-CG 3.88Å; L255-K290 WeakPolarHBondContact CD1-O 3.5Å; L255-A294 HydrophobicContact CD1-CB 3.58Å; L255-D699 WeakPolarHBondContact CD2-OD2 3.46Å; L255-I701 HydrophobicContact CD2-CB 4.11Å; L255-I701 HydrophobicContact CD2-CD1 4.04Å; L255-I701 HydrophobicContact CD2-CG2 4.49Å
256	D	97.8	Very high	98.3	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	12%	0.115	C	C	.	.	S	Bend	trans	-144.8	177.4	167.2	65.3	25.5	0	0	0	109.7	V254 V258	V254-D256 PolarHBondContact O-N 2.94Å; D256-V258 VanDerWaalsContact C-N 3.31Å; D256-V258 VanDerWaalsContact OD1-CB 3.27Å; D256-V258 WeakPolarHBondContact OD1-CB 2.9Å; D256-V258 PolarHBondContact OD1-N 3.48Å
257	A	98.1	Very high	98.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.008	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	10.3	177.9	0	0	0	0	0	114	G259 H518 R519 V520 N599 T600	A257-G259 VanDerWaalsContact C-N 3.31Å; A257-H518 HydrophobicContact CB-CB 3.66Å; A257-H518 WeakPolarHBondContact CB-O 3.3Å; A257-R519 PolarHBondContact N-O 3.19Å; A257-V520 WeakPolarHBondContact CB-O 3.42Å; A257-N599 CarbonylContact O-C 3.51Å; A257-N599 WeakPolarHBondContact O-CA 3.23Å; A257-N599 WeakPolarHBondContact O-CB 2.74Å; A257-T600 PolarHBondContact O-N 2.86Å
258	V	98.5	Very high	98.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-32	176.4	178.1	0	0	0	0	110.4	D256 I282 I392 A412 L414 N599	D256-V258 VanDerWaalsContact C-N 3.31Å; D256-V258 VanDerWaalsContact OD1-CB 3.27Å; D256-V258 WeakPolarHBondContact OD1-CB 2.9Å; D256-V258 PolarHBondContact OD1-N 3.48Å; V258-I282 HydrophobicContact CG1-CG2 3.64Å; V258-I282 WeakPolarHBondContact O-CG2 3.13Å; V258-I392 HydrophobicContact CG1-CD1 3.94Å; V258-A412 HydrophobicContact CG2-CB 3.61Å; V258-L414 HydrophobicContact CG1-CB 4.09Å; V258-L414 HydrophobicContact CG1-CD2 4.25Å; V258-N599 VanDerWaalsContact O-CB 3.28Å; V258-N599 WeakPolarHBondContact O-CB 3.49Å; V258-N599 PolarHBondContact O-ND2 3.29Å
259	G	97.9	Very high	97.8	Very high	6 Å²	6	20.7 Å²	20.7	6%	0.062	13%	0.125	C	C	.	.			trans	67.9	46.3	-177.2	0	0	0	0	0	111.5	A257 N261 Q605	A257-G259 VanDerWaalsContact C-N 3.31Å; G259-N261 PolarHBondContact O-N 2.88Å; G259-Q605 PolarHBondContact O-NE2 2.99Å; G259-Q605 PolarHBondContact O-OE1 3.22Å; G259-Q605 VanDerWaalsContact O-OE1 3.12Å
260	S	98.6	Very high	97.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.136	C	C	.	.			trans	-61.5	134.4	-175.1	-54.4	0	0	0	0	111.6	D253 L414	D253-S260 WeakPolarHBondContact CB-O 3.35Å; D253-S260 PolarHBondContact N-O 3.41Å; S260-L414 WeakPolarHBondContact OG-CD2 3.3Å
261	N	98.7	Very high	97.6	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.011	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	130.8	179.3	-75.1	-24.5	0	0	0	110.8	I252 G259 R277 H279 N283 Q605	I252-N261 WeakPolarHBondContact CD1-OD1 3.5Å; G259-N261 PolarHBondContact O-N 2.88Å; N261-R277 HydrophobicContact CB-CB 4.04Å; N261-R277 PolarHBondContact ND2-NH2 2.9Å; N261-R277 VanDerWaalsContact ND2-NH2 3.13Å; N261-R277 PolarHBondContact O-N 3.49Å; N261-R277 PolarHBondContact OD1-NH2 3.29Å; N261-R277 VanDerWaalsContact OD1-NH2 3.13Å; N261-H279 HydrophobicContact CB-CB 4.27Å; N261-H279 WeakPolarHBondContact ND2-CB 3.06Å; N261-H279 PolarHBondContact ND2-CD2 3.29Å; N261-N283 PolarHBondContact N-OD1 3.49Å; N261-N283 PolarHBondContact O-ND2 2.85Å; N261-Q605 PolarHBondContact OD1-NE2 2.92Å
262	I	98.8	Very high	97.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	161.1	-173.9	59.9	172.2	0	0	0	113	E250 S251 D253 V264 I274 L275 I287 T291 Y590	E250-I262 WeakPolarHBondContact CA-O 3.18Å; S251-I262 VanDerWaalsContact C-CG1 3.49Å; S251-I262 PolarHBondContact N-O 3.08Å; S251-I262 WeakPolarHBondContact O-CG1 3.46Å; S251-I262 PolarHBondContact O-N 3.37Å; D253-I262 HydrophobicContact CB-CG2 4.26Å; I262-V264 HydrophobicContact CD1-CG2 3.86Å; I262-V264 HydrophobicContact CG1-CG2 4.35Å; I262-I274 HydrophobicContact CB-CG2 3.89Å; I262-I274 HydrophobicContact CD1-CG2 4Å; I262-I274 HydrophobicContact CG2-CG2 3.87Å; I262-L275 CarbonylContact C-O 3.45Å; I262-L275 VanDerWaalsContact CA-O 3.26Å; I262-L275 WeakPolarHBondContact CA-O 3.05Å; I262-L275 WeakPolarHBondContact CB-O 3.24Å; I262-I287 HydrophobicContact CG2-CG2 3.93Å; I262-T291 HydrophobicContact CG2-CG2 3.89Å; I262-Y590 HydrophobicContact CD1-CE2 4.01Å
263	V	98.8	Very high	97.5	Very high	22 Å²	22	20.2 Å²	20.2	13%	0.133	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	110.7	165.1	-175.8	0	0	0	0	108.1	K248 S265 L275 R277	K248-V263 HydrophobicContact CB-CG1 3.69Å; K248-V263 HydrophobicContact CD-CG1 4.5Å; K248-V263 HydrophobicContact CG-CG1 4.13Å; V263-S265 PolarHBondContact O-N 3.24Å; V263-L275 HydrophobicContact CB-CB 4.37Å; V263-L275 PolarHBondContact N-O 2.69Å; V263-L275 PolarHBondContact O-N 3.31Å; V263-R277 HydrophobicContact CG2-CB 3.95Å; V263-R277 HydrophobicContact CG2-CG 4.46Å
264	V	98.7	Very high	97.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	112.8	173.5	-173	0	0	0	0	107.8	V249 I262 T266 V271 T591 A610	V249-V264 PolarHBondContact N-O 2.88Å; V249-V264 PolarHBondContact O-N 3.14Å; I262-V264 HydrophobicContact CD1-CG2 3.86Å; I262-V264 HydrophobicContact CG1-CG2 4.35Å; V264-T266 HydrophobicContact CG1-CG2 3.91Å; V264-V271 HydrophobicContact CG1-CB 4.43Å; V264-V271 HydrophobicContact CG1-CG1 3.73Å; V264-V271 HydrophobicContact CG1-CG2 3.93Å; V264-T591 HydrophobicContact CG1-CG2 4.37Å; V264-T591 HydrophobicContact CG2-CG2 4.19Å; V264-A610 HydrophobicContact CB-CB 3.94Å; V264-A610 HydrophobicContact CG1-CB 3.75Å
265	S	98.4	Very high	97.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	116.5	178.2	-58.5	0	0	0	0	108.9	R247 V263 M272 R273	R247-S265 CarbonylContact O-C 3.53Å; R247-S265 WeakPolarHBondContact O-CA 3.14Å; V263-S265 PolarHBondContact O-N 3.24Å; S265-M272 PolarHBondContact O-N 3.18Å; S265-R273 PolarHBondContact N-O 2.99Å; S265-R273 PolarHBondContact O-N 3.43Å
266	T	98.1	Very high	97.6	Very high	6 Å²	6	22.7 Å²	22.7	4%	0.037	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	152.7	-176	69.3	0	0	0	0	111.5	T246 R247 V264 E270 V271 A610 V611	T246-T266 CarbonylContact C-O 3.54Å; T246-T266 VanDerWaalsContact CA-O 3.28Å; T246-T266 WeakPolarHBondContact CA-O 3.45Å; R247-T266 PolarHBondContact N-O 2.93Å; R247-T266 PolarHBondContact O-N 3.09Å; V264-T266 HydrophobicContact CG1-CG2 3.91Å; T266-E270 CarbonylContact C-O 3.52Å; T266-E270 VanDerWaalsContact CA-O 3.22Å; T266-E270 WeakPolarHBondContact CA-O 3.28Å; T266-E270 WeakPolarHBondContact CB-O 3.42Å; T266-V271 HydrophobicContact CG2-CG2 4.29Å; T266-A610 HydrophobicContact CG2-CB 3.93Å; T266-V611 HydrophobicContact CG2-CG1 3.72Å
267	R	97.5	Very high	97.6	Very high	63 Å²	63	25.8 Å²	25.8	24%	0.238	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	133.3	171.4	-175.4	-172.5	70.6	-172.7	-6.9	108.2	T240 E245 G269 E270 M272	T240-R267 PolarHBondContact O-NH1 3.49Å; T240-R267 PolarHBondContact O-NH2 2.97Å; E245-R267 WeakPolarHBondContact OE1-CD 3.38Å; E245-R267 IonicContact OE1-CZ 3.34Å; E245-R267 IonicContact OE1-NE 3.62Å; E245-R267 IonicContact OE1-NH1 3.87Å; E245-R267 PolarHBondContact OE1-NH1 2.86Å; E245-R267 WeakPolarHBondContact OE2-CD 3.34Å; E245-R267 IonicContact OE2-NH1 3.01Å; R267-G269 PolarHBondContact O-N 3.34Å; R267-E270 PolarHBondContact N-O 3.31Å; R267-E270 PolarHBondContact O-N 3.11Å; R267-M272 HydrophobicContact CB-CE 4.02Å; R267-M272 HydrophobicContact CB-CG 3.58Å; R267-M272 HydrophobicContact CB-SD 4.18Å
268	T	94.8	Very high	97.5	Very high	132 Å²	132	30.5 Å²	30.5	81%	0.81	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	37.5	174.6	52.3	0	0	0	0	114.6
269	G	89.9	Confident	97.5	Very high	58 Å²	58	31.5 Å²	31.5	60%	0.598	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.4	9.1	178.3	0	0	0	0	0	115.5	R267 V611	R267-G269 PolarHBondContact O-N 3.34Å; G269-V611 VanDerWaalsContact O-CG1 3.3Å; G269-V611 WeakPolarHBondContact O-CG1 3.4Å
270	E	95.2	Very high	97.5	Very high	86 Å²	86	35.8 Å²	35.8	40%	0.402	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.7	-179.3	-178.5	-173.6	178.2	0	0	111	T266 R267 M272 K299	T266-E270 CarbonylContact C-O 3.52Å; T266-E270 VanDerWaalsContact CA-O 3.22Å; T266-E270 WeakPolarHBondContact CA-O 3.28Å; T266-E270 WeakPolarHBondContact CB-O 3.42Å; R267-E270 PolarHBondContact N-O 3.31Å; R267-E270 PolarHBondContact O-N 3.11Å; E270-M272 HydrophobicContact CB-CE 3.49Å; E270-M272 VanDerWaalsContact CB-CE 3.49Å; E270-M272 HydrophobicContact CG-CE 3.58Å; E270-M272 PolarHBondContact O-N 3.49Å; E270-M272 WeakPolarHBondContact OE2-CE 3.39Å; E270-K299 HydrophobicContact CG-CD 4.2Å; E270-K299 VanDerWaalsContact CG-CE 3.47Å; E270-K299 VanDerWaalsContact OE1-CD 3.28Å; E270-K299 WeakPolarHBondContact OE1-CD 3.33Å; E270-K299 WeakPolarHBondContact OE1-CE 3.22Å; E270-K299 IonicContact OE1-NZ 2.84Å; E270-K299 PolarHBondContact OE1-NZ 3.19Å
271	V	97.9	Very high	97.4	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.036	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.4	175.5	-179.2	0	0	0	0	109.6	V264 T266 I274 Y295 K299 V611	V264-V271 HydrophobicContact CG1-CB 4.43Å; V264-V271 HydrophobicContact CG1-CG1 3.73Å; V264-V271 HydrophobicContact CG1-CG2 3.93Å; T266-V271 HydrophobicContact CG2-CG2 4.29Å; V271-I274 HydrophobicContact CG1-CG1 4.48Å; V271-Y295 HydrophobicContact CG1-CD2 4.26Å; V271-Y295 HydrophobicContact CG1-CG 4.33Å; V271-K299 WeakPolarHBondContact O-CE 3.35Å; V271-K299 PolarHBondContact O-NZ 2.54Å; V271-V611 HydrophobicContact CG2-CG1 3.93Å; V271-V611 HydrophobicContact CG2-CG2 3.99Å
272	M	97.6	Very high	97.4	Very high	7 Å²	7	38.8 Å²	38.8	3%	0.034	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-42.5	-177.5	-63.7	-67.5	135.7	0	0	112.1	Y237 A241 S265 R267 E270 Y295	Y237-M272 WeakPolarHBondContact CD2-O 3.33Å; Y237-M272 HydrophobicContact CE2-CB 4.01Å; A241-M272 HydrophobicContact CB-CB 4.42Å; A241-M272 HydrophobicContact CB-CG 4.2Å; A241-M272 HydrophobicContact CB-SD 4.2Å; S265-M272 PolarHBondContact O-N 3.18Å; R267-M272 HydrophobicContact CB-CE 4.02Å; R267-M272 HydrophobicContact CB-CG 3.58Å; R267-M272 HydrophobicContact CB-SD 4.18Å; E270-M272 HydrophobicContact CB-CE 3.49Å; E270-M272 VanDerWaalsContact CB-CE 3.49Å; E270-M272 HydrophobicContact CG-CE 3.58Å; E270-M272 PolarHBondContact O-N 3.49Å; E270-M272 WeakPolarHBondContact OE2-CE 3.39Å; M272-Y295 WeakPolarHBondContact O-CE2 3.37Å; M272-Y295 VanDerWaalsContact O-CZ 3.26Å; M272-Y295 PolarHBondContact O-OH 3.33Å
273	R	97.9	Very high	97.4	Very high	22 Å²	22	38.9 Å²	38.9	8%	0.083	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	164.4	177	63.7	177.8	-179.1	-175.4	1.9	111.6	E137 Y237 S265	E137-R273 VanDerWaalsContact CD-NH2 3.34Å; E137-R273 IonicContact OE1-CZ 3.67Å; E137-R273 IonicContact OE1-NH1 3.8Å; E137-R273 PolarHBondContact OE1-NH1 3.39Å; E137-R273 IonicContact OE1-NH2 2.78Å; E137-R273 PolarHBondContact OE1-NH2 2.88Å; E137-R273 VanDerWaalsContact OE1-NH2 3.17Å; E137-R273 IonicContact OE2-CZ 3.82Å; E137-R273 IonicContact OE2-NH1 3.72Å; E137-R273 IonicContact OE2-NH2 2.86Å; E137-R273 PolarHBondContact OE2-NH2 3.28Å; Y237-R273 HydrophobicContact CD2-CB 3.82Å; Y237-R273 HydrophobicContact CD2-CG 4.26Å; Y237-R273 HydrophobicContact CE2-CB 4.11Å; Y237-R273 HydrophobicContact CE2-CG 4.05Å; Y237-R273 HydrophobicContact CG-CB 4.28Å; S265-R273 PolarHBondContact N-O 2.99Å; S265-R273 PolarHBondContact O-N 3.43Å
274	I	98.7	Very high	97.3	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.015	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129	173.3	-62.5	-179.5	0	0	0	108.7	I262 V271 I287 Y295 Y590	I262-I274 HydrophobicContact CB-CG2 3.89Å; I262-I274 HydrophobicContact CD1-CG2 4Å; I262-I274 HydrophobicContact CG2-CG2 3.87Å; V271-I274 HydrophobicContact CG1-CG1 4.48Å; I274-I287 HydrophobicContact CG2-CD1 4.16Å; I274-Y295 HydrophobicContact CG1-CD1 4.46Å; I274-Y590 VanDerWaalsContact CD1-OH 3.24Å; I274-Y590 WeakPolarHBondContact CD1-OH 3.42Å
275	L	98.5	Very high	97.2	Very high	35 Å²	35	40.2 Å²	40.2	18%	0.183	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	154.3	175.8	-63.6	175.8	0	0	0	109.9	I262 V263	I262-L275 CarbonylContact C-O 3.45Å; I262-L275 VanDerWaalsContact CA-O 3.26Å; I262-L275 WeakPolarHBondContact CA-O 3.05Å; I262-L275 WeakPolarHBondContact CB-O 3.24Å; V263-L275 HydrophobicContact CB-CB 4.37Å; V263-L275 PolarHBondContact N-O 2.69Å; V263-L275 PolarHBondContact O-N 3.31Å
276	P	98.4	Very high	97.1	Very high	24 Å²	24	40.5 Å²	40.5	16%	0.156	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	149.9	170	28.3	-32.7	0	0	0	111	D225 E285 I287	D225-P276 WeakPolarHBondContact OD2-CD 3.23Å; D225-P276 WeakPolarHBondContact OD2-CG 3.35Å; P276-E285 WeakPolarHBondContact CB-O 3.49Å; P276-E285 WeakPolarHBondContact CG-O 3.49Å; P276-I287 HydrophobicContact CB-CD1 4.5Å; P276-I287 HydrophobicContact CB-CG1 4.13Å; P276-I287 HydrophobicContact CB-CG2 3.99Å; P276-I287 HydrophobicContact CG-CG1 4.43Å
277	R	97.7	Very high	97.2	Very high	68 Å²	68	40.2 Å²	40.2	26%	0.257	21%	0.214	S	C	.	.			trans	-111.4	139.3	164.7	-178.6	173	64.6	87.1	-3.2	108.6	N261 V263 H279 N283	N261-R277 HydrophobicContact CB-CB 4.04Å; N261-R277 PolarHBondContact ND2-NH2 2.9Å; N261-R277 VanDerWaalsContact ND2-NH2 3.13Å; N261-R277 PolarHBondContact O-N 3.49Å; N261-R277 PolarHBondContact OD1-NH2 3.29Å; N261-R277 VanDerWaalsContact OD1-NH2 3.13Å; V263-R277 HydrophobicContact CG2-CB 3.95Å; V263-R277 HydrophobicContact CG2-CG 4.46Å; R277-H279 PolarHBondContact O-N 3.4Å; R277-N283 PolarHBondContact O-ND2 3.26Å; R277-N283 VanDerWaalsContact O-ND2 3.15Å
278	L	97.3	Very high	97.2	Very high	101 Å²	101	37.2 Å²	37.2	53%	0.529	20%	0.203	S	C	.	.			trans	-59.6	125.2	179.9	179.5	66.9	0	0	0	111.4	E284 E285	L278-E284 CarbonylContact C-O 3.51Å; L278-E284 WeakPolarHBondContact CA-O 3.39Å; L278-E284 WeakPolarHBondContact CD1-O 3.38Å; L278-E285 HydrophobicContact CD1-CB 4.42Å
279	H	98.1	Very high	97.4	Very high	20 Å²	20	31 Å²	31	9%	0.093	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-155.7	106.4	169.6	-165.3	-86.1	0	0	0	111.6	N261 R277 D281 I282 N283 E284 D658	N261-H279 HydrophobicContact CB-CB 4.27Å; N261-H279 WeakPolarHBondContact ND2-CB 3.06Å; N261-H279 PolarHBondContact ND2-CD2 3.29Å; R277-H279 PolarHBondContact O-N 3.4Å; H279-D281 VanDerWaalsContact C-N 3.25Å; H279-D281 PolarHBondContact ND1-N 3.02Å; H279-D281 PolarHBondContact O-N 3.39Å; H279-I282 WeakPolarHBondContact ND1-CG1 3.23Å; H279-I282 PolarHBondContact ND1-N 3.21Å; H279-I282 PolarHBondContact O-N 3Å; H279-N283 PolarHBondContact O-N 2.98Å; H279-E284 PolarHBondContact N-O 3.47Å; H279-E284 WeakPolarHBondContact O-CA 3.27Å; H279-E284 PolarHBondContact O-N 3.12Å; H279-D658 IonicContact CE1-OD1 3.45Å; H279-D658 IonicContact NE2-OD1 3.48Å; H279-D658 PolarHBondContact NE2-OD1 2.78Å
280	E	97.4	Very high	97.8	Very high	96 Å²	96	28.5 Å²	28.5	45%	0.449	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.7	-174	-63.9	-58.2	155.3	0	0	113.2	R69 I282 R418	R69-E280 IonicContact CZ-OE1 3.63Å; R69-E280 IonicContact CZ-OE2 2.8Å; R69-E280 IonicContact NH1-OE1 2.89Å; R69-E280 IonicContact NH1-OE2 3.16Å; R69-E280 PolarHBondContact NH1-OE2 3.4Å; R69-E280 IonicContact NH2-OE1 2.88Å; R69-E280 PolarHBondContact NH2-OE1 3.35Å; R69-E280 IonicContact NH2-OE2 2.67Å; R69-E280 PolarHBondContact NH2-OE2 3.49Å; E280-I282 VanDerWaalsContact C-N 3.34Å; E280-I282 PolarHBondContact O-N 3.36Å; E280-R418 PolarHBondContact O-NH1 3.5Å; E280-R418 VanDerWaalsContact O-NH1 3.15Å; E280-R418 PolarHBondContact O-NH2 3.11Å
281	D	97.8	Very high	98	Very high	65 Å²	65	24.4 Å²	24.4	35%	0.348	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.2	-173.2	-61	-18.5	0	0	0	114	H279 I392 A393 R603	H279-D281 VanDerWaalsContact C-N 3.25Å; H279-D281 PolarHBondContact ND1-N 3.02Å; H279-D281 PolarHBondContact O-N 3.39Å; D281-I392 WeakPolarHBondContact O-CB 3.27Å; D281-A393 HydrophobicContact CB-CB 4.45Å; D281-A393 PolarHBondContact O-N 3.44Å; D281-R603 IonicContact OD2-CZ 2.86Å; D281-R603 IonicContact OD2-NH1 3.37Å; D281-R603 IonicContact OD2-NH2 3.65Å; D281-R603 PolarHBondContact OD2-NH2 3.24Å
282	I	98.1	Very high	98	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-88	-171.5	-57.9	169.1	0	0	0	109	V258 H279 E280 I392 R418	V258-I282 HydrophobicContact CG1-CG2 3.64Å; V258-I282 WeakPolarHBondContact O-CG2 3.13Å; H279-I282 WeakPolarHBondContact ND1-CG1 3.23Å; H279-I282 PolarHBondContact ND1-N 3.21Å; H279-I282 PolarHBondContact O-N 3Å; E280-I282 VanDerWaalsContact C-N 3.34Å; E280-I282 PolarHBondContact O-N 3.36Å; I282-I392 HydrophobicContact CG2-CD1 4.11Å; I282-R418 PolarHBondContact O-NH2 3.34Å
283	N	97.9	Very high	98	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.011	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	0.8	-165.1	67.8	-65.6	0	0	0	112.9	N261 R277 H279 E285 W286 L414	N261-N283 PolarHBondContact N-OD1 3.49Å; N261-N283 PolarHBondContact O-ND2 2.85Å; R277-N283 PolarHBondContact O-ND2 3.26Å; R277-N283 VanDerWaalsContact O-ND2 3.15Å; H279-N283 PolarHBondContact O-N 2.98Å; N283-E285 PolarHBondContact O-N 3.4Å; N283-W286 VanDerWaalsContact CB-O 3.3Å; N283-W286 WeakPolarHBondContact CB-O 3.38Å; N283-W286 PolarHBondContact ND2-O 3.04Å; N283-W286 PolarHBondContact O-N 2.7Å; N283-L414 HydrophobicContact CB-CD2 3.49Å; N283-L414 VanDerWaalsContact CB-CD2 3.49Å; N283-L414 HydrophobicContact CB-CG 4.18Å
284	E	96.8	Very high	98	Very high	12 Å²	12	23.2 Å²	23.2	6%	0.056	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	55.9	-101.7	-171.8	-66.7	-163.7	128.4	0	0	109.3	R69 L278 H279 W286 R418 K421	R69-E284 WeakPolarHBondContact CD-OE2 3.21Å; R69-E284 VanDerWaalsContact CZ-CB 3.41Å; R69-E284 IonicContact CZ-OE1 3.86Å; R69-E284 VanDerWaalsContact NH1-CG 3.31Å; R69-E284 IonicContact NH1-OE1 2.71Å; R69-E284 PolarHBondContact NH1-OE1 3.37Å; R69-E284 IonicContact NH1-OE2 2.82Å; L278-E284 CarbonylContact C-O 3.51Å; L278-E284 WeakPolarHBondContact CA-O 3.39Å; L278-E284 WeakPolarHBondContact CD1-O 3.38Å; H279-E284 PolarHBondContact N-O 3.47Å; H279-E284 WeakPolarHBondContact O-CA 3.27Å; H279-E284 PolarHBondContact O-N 3.12Å; E284-W286 PolarHBondContact OE2-NE1 3.35Å; E284-R418 VanDerWaalsContact CG-CZ 3.47Å; E284-R418 IonicContact OE1-CZ 3.22Å; E284-R418 IonicContact OE1-NH1 2.65Å; E284-K421 IonicContact OE1-NZ 2.91Å; E284-K421 PolarHBondContact OE1-NZ 3.25Å
285	E	96.3	Very high	98	Very high	38 Å²	38	23.6 Å²	23.6	18%	0.178	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	16.4	172.6	69.8	-153.1	168.9	0	0	112.2	H67 R69 P276 L278 N283	H67-E285 IonicContact CE1-OE1 3.6Å; H67-E285 PolarHBondContact CE1-OE1 3.25Å; H67-E285 IonicContact CE1-OE2 2.92Å; H67-E285 PolarHBondContact CE1-OE2 3.13Å; H67-E285 IonicContact ND1-OE1 3.36Å; H67-E285 PolarHBondContact ND1-OE1 3.07Å; H67-E285 VanDerWaalsContact ND1-OE1 3.11Å; H67-E285 IonicContact NE2-OE1 2.71Å; R69-E285 VanDerWaalsContact CD-CD 3.44Å; R69-E285 WeakPolarHBondContact CD-OE1 3.25Å; R69-E285 VanDerWaalsContact CG-OE1 3.24Å; R69-E285 WeakPolarHBondContact CG-OE1 3.41Å; R69-E285 IonicContact NE-OE1 3.88Å; R69-E285 PolarHBondContact NE-OE1 3.01Å; R69-E285 IonicContact NE-OE2 3.94Å; R69-E285 PolarHBondContact NE-OE2 2.99Å; P276-E285 WeakPolarHBondContact CB-O 3.49Å; P276-E285 WeakPolarHBondContact CG-O 3.49Å; L278-E285 HydrophobicContact CD1-CB 4.42Å; N283-E285 PolarHBondContact O-N 3.4Å
286	W	98.3	Very high	98	Very high	5 Å²	5	23 Å²	23	2%	0.019	11%	0.112	C	C	.	.			trans	-105.4	156.6	-176.4	-45.2	122.6	0	0	0	110.9	R69 F186 I190 N222 I226 N283 E284 L414	R69-W286 HydrophobicContact CB-CZ2 4.05Å; F186-W286 HydrophobicContact CD2-CE3 4.42Å; F186-W286 AromaticContact CD2-CH2 3.83Å; F186-W286 HydrophobicContact CD2-CH2 3.83Å; F186-W286 HydrophobicContact CD2-CZ2 4.06Å; F186-W286 HydrophobicContact CD2-CZ3 4.03Å; F186-W286 AromaticContact CE2-CD2 3.73Å; F186-W286 HydrophobicContact CE2-CD2 3.73Å; F186-W286 AromaticContact CE2-CE2 3.87Å; F186-W286 AromaticContact CE2-CE3 3.63Å; F186-W286 HydrophobicContact CE2-CE3 3.63Å; F186-W286 AromaticContact CE2-CH2 3.82Å; F186-W286 HydrophobicContact CE2-CH2 3.82Å; F186-W286 AromaticContact CE2-CZ2 3.9Å; F186-W286 HydrophobicContact CE2-CZ2 3.9Å; F186-W286 AromaticContact CE2-CZ3 3.69Å; F186-W286 HydrophobicContact CE2-CZ3 3.69Å; F186-W286 HydrophobicContact CZ-CE3 4.38Å; I190-W286 HydrophobicContact CD1-CH2 4.4Å; I190-W286 HydrophobicContact CD1-CZ2 3.39Å; N222-W286 HydrophobicContact CB-CE3 3.86Å; N222-W286 HydrophobicContact CB-CZ3 4.38Å; I226-W286 HydrophobicContact CG2-CH2 3.43Å; I226-W286 VanDerWaalsContact CG2-CH2 3.43Å; I226-W286 HydrophobicContact CG2-CZ3 3.31Å; N283-W286 VanDerWaalsContact CB-O 3.3Å; N283-W286 WeakPolarHBondContact CB-O 3.38Å; N283-W286 PolarHBondContact ND2-O 3.04Å; N283-W286 PolarHBondContact O-N 2.7Å; E284-W286 PolarHBondContact OE2-NE1 3.35Å; W286-L414 HydrophobicContact CB-CD1 4.38Å
287	I	98.7	Very high	97.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.			trans	-140.9	156.8	166	48.7	172.1	0	0	0	109.9	L219 N222 I262 I274 P276 T291 R292	L219-I287 WeakPolarHBondContact CD2-O 3.26Å; N222-I287 PolarHBondContact ND2-O 3.05Å; N222-I287 PolarHBondContact OD1-N 3.06Å; N222-I287 PolarHBondContact OD1-O 2.86Å; N222-I287 VanDerWaalsContact OD1-O 3.09Å; I262-I287 HydrophobicContact CG2-CG2 3.93Å; I274-I287 HydrophobicContact CG2-CD1 4.16Å; P276-I287 HydrophobicContact CB-CD1 4.5Å; P276-I287 HydrophobicContact CB-CG1 4.13Å; P276-I287 HydrophobicContact CB-CG2 3.99Å; P276-I287 HydrophobicContact CG-CG1 4.43Å; I287-T291 HydrophobicContact CB-CG2 3.96Å; I287-T291 HydrophobicContact CD1-CG2 4.1Å; I287-T291 HydrophobicContact CG2-CG2 4.03Å; I287-R292 HydrophobicContact CD1-CB 3.91Å; I287-R292 HydrophobicContact CD1-CG 4.34Å; I287-R292 HydrophobicContact CG1-CB 4.36Å; I287-R292 VanDerWaalsContact CG1-NH2 3.35Å
288	S	98.6	Very high	97.9	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.007	9%	0.094	C	C	.	.			trans	-66.7	157.1	175.8	85.8	0	0	0	0	112	K290 T291 R292	S288-K290 PolarHBondContact O-N 3.42Å; S288-K290 PolarHBondContact OG-N 3.12Å; S288-T291 WeakPolarHBondContact O-CB 3.49Å; S288-T291 PolarHBondContact O-N 3.3Å; S288-T291 PolarHBondContact OG-N 2.79Å; S288-T291 VanDerWaalsContact OG-N 3.08Å; S288-T291 PolarHBondContact OG-OG1 3.03Å; S288-R292 WeakPolarHBondContact O-CB 3.08Å; S288-R292 PolarHBondContact O-N 3.14Å
289	D	98.4	Very high	97.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.2	-31.9	174.5	-75.1	-17.7	0	0	0	112.2	L169 E218 S220 G221 R292 F293 Y696	L169-D289 HydrophobicContact CD1-CB 3.98Å; E218-D289 PolarHBondContact O-N 3.44Å; S220-D289 WeakPolarHBondContact CB-OD2 3.34Å; S220-D289 PolarHBondContact N-OD1 2.78Å; S220-D289 PolarHBondContact N-OD2 2.77Å; S220-D289 PolarHBondContact OG-OD2 3.15Å; G221-D289 VanDerWaalsContact CA-OD1 3.28Å; G221-D289 WeakPolarHBondContact CA-OD1 3.27Å; G221-D289 PolarHBondContact N-OD1 2.83Å; D289-R292 PolarHBondContact O-N 3.36Å; D289-F293 HydrophobicContact CB-CD2 4.16Å; D289-F293 HydrophobicContact CB-CE2 4.39Å; D289-F293 WeakPolarHBondContact O-CB 3.16Å; D289-F293 WeakPolarHBondContact O-CD2 3.4Å; D289-F293 PolarHBondContact O-N 3.39Å; D289-Y696 HydrophobicContact CB-CE1 4.34Å
290	K	98.3	Very high	97.6	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.026	10%	0.099	C	C	.	.	H	α-helix	trans	-60.7	-52	173.1	-169.8	-165.1	-60.9	173.4	0	110.2	L255 S288 R292 F293 A294 F695 T698 M708	L255-K290 HydrophobicContact CB-CD 3.78Å; L255-K290 HydrophobicContact CB-CG 4.28Å; L255-K290 HydrophobicContact CD1-CD 4.29Å; L255-K290 HydrophobicContact CD1-CG 3.88Å; L255-K290 WeakPolarHBondContact CD1-O 3.5Å; S288-K290 PolarHBondContact O-N 3.42Å; S288-K290 PolarHBondContact OG-N 3.12Å; K290-R292 VanDerWaalsContact C-N 3.31Å; K290-R292 PolarHBondContact O-N 2.72Å; K290-F293 PolarHBondContact O-N 2.94Å; K290-A294 WeakPolarHBondContact O-CB 3.4Å; K290-A294 PolarHBondContact O-N 3.05Å; K290-F695 HydrophobicContact CB-CE1 4.03Å; K290-F695 HydrophobicContact CB-CE2 4.41Å; K290-F695 HydrophobicContact CB-CZ 3.69Å; K290-F695 WeakPolarHBondContact CE-O 3.27Å; K290-F695 PolarHBondContact NZ-O 2.98Å; K290-T698 WeakPolarHBondContact CE-OG1 3.39Å; K290-T698 VanDerWaalsContact NZ-CG2 3.26Å; K290-T698 PolarHBondContact NZ-OG1 2.69Å; K290-M708 HydrophobicContact CB-SD 4.49Å; K290-M708 HydrophobicContact CG-SD 4.35Å
291	T	98.6	Very high	97.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-55.3	-45.5	175.9	-48.3	0	0	0	0	112.1	D253 I262 I287 S288	D253-T291 HydrophobicContact CB-CG2 3.66Å; D253-T291 VanDerWaalsContact OD2-CB 3.27Å; D253-T291 WeakPolarHBondContact OD2-CB 3.48Å; D253-T291 WeakPolarHBondContact OD2-CG2 3.41Å; D253-T291 PolarHBondContact OD2-OG1 3.32Å; I262-T291 HydrophobicContact CG2-CG2 3.89Å; I287-T291 HydrophobicContact CB-CG2 3.96Å; I287-T291 HydrophobicContact CD1-CG2 4.1Å; I287-T291 HydrophobicContact CG2-CG2 4.03Å; S288-T291 WeakPolarHBondContact O-CB 3.49Å; S288-T291 PolarHBondContact O-N 3.3Å; S288-T291 PolarHBondContact OG-N 2.79Å; S288-T291 VanDerWaalsContact OG-N 3.08Å; S288-T291 PolarHBondContact OG-OG1 3.03Å
292	R	98.6	Very high	97.5	Very high	10 Å²	10	21.1 Å²	21.1	4%	0.038	9%	0.093	C	C	.	.	H	α-helix	trans	-69.2	-36	-174.1	-174.6	174.5	-66.2	-85.5	-0.5	113.1	G221 N222 D225 I287 S288 D289 K290 Y295	G221-R292 PolarHBondContact O-NE 2.76Å; N222-R292 PolarHBondContact OD1-NH2 2.68Å; D225-R292 IonicContact OD1-CZ 3.09Å; D225-R292 IonicContact OD1-NH1 3.63Å; D225-R292 PolarHBondContact OD1-NH1 3.04Å; D225-R292 IonicContact OD2-CZ 4Å; D225-R292 IonicContact OD2-NH1 2.77Å; D225-R292 PolarHBondContact OD2-NH1 2.66Å; D225-R292 IonicContact OD2-NH2 3.86Å; D225-R292 PolarHBondContact OD2-NH2 3.19Å; I287-R292 HydrophobicContact CD1-CB 3.91Å; I287-R292 HydrophobicContact CD1-CG 4.34Å; I287-R292 HydrophobicContact CG1-CB 4.36Å; I287-R292 VanDerWaalsContact CG1-NH2 3.35Å; S288-R292 WeakPolarHBondContact O-CB 3.08Å; S288-R292 PolarHBondContact O-N 3.14Å; D289-R292 PolarHBondContact O-N 3.36Å; K290-R292 VanDerWaalsContact C-N 3.31Å; K290-R292 PolarHBondContact O-N 2.72Å; R292-Y295 VanDerWaalsContact O-CD1 3.22Å; R292-Y295 WeakPolarHBondContact O-CD1 3.41Å; R292-Y295 WeakPolarHBondContact O-CE1 3.46Å
293	F	98.6	Very high	97.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-118.1	-10.4	-165.5	-61.3	-65	0	0	0	115.3	L169 I224 S234 P236 D289 K290 Y295 T707 M708	L169-F293 HydrophobicContact CB-CD2 4.41Å; L169-F293 HydrophobicContact CB-CE2 3.81Å; L169-F293 HydrophobicContact CB-CZ 3.96Å; L169-F293 HydrophobicContact CD1-CD2 3.88Å; L169-F293 HydrophobicContact CD1-CE2 3.75Å; L169-F293 HydrophobicContact CD2-CB 4.26Å; L169-F293 HydrophobicContact CD2-CD1 4.25Å; L169-F293 HydrophobicContact CD2-CD2 3.43Å; L169-F293 VanDerWaalsContact CD2-CD2 3.43Å; L169-F293 HydrophobicContact CD2-CE1 4.46Å; L169-F293 HydrophobicContact CD2-CE2 3.72Å; L169-F293 HydrophobicContact CD2-CG 3.73Å; L169-F293 HydrophobicContact CD2-CZ 4.22Å; L169-F293 HydrophobicContact CG-CD2 4.1Å; L169-F293 HydrophobicContact CG-CE2 3.96Å; I224-F293 HydrophobicContact CD1-CE1 4.44Å; I224-F293 HydrophobicContact CD1-CZ 3.9Å; S234-F293 WeakPolarHBondContact OG-CE1 3.48Å; P236-F293 HydrophobicContact CB-CD1 4.37Å; P236-F293 HydrophobicContact CG-CD1 3.77Å; P236-F293 HydrophobicContact CG-CE1 4.12Å; D289-F293 HydrophobicContact CB-CD2 4.16Å; D289-F293 HydrophobicContact CB-CE2 4.39Å; D289-F293 WeakPolarHBondContact O-CB 3.16Å; D289-F293 WeakPolarHBondContact O-CD2 3.4Å; D289-F293 PolarHBondContact O-N 3.39Å; K290-F293 PolarHBondContact O-N 2.94Å; F293-Y295 PolarHBondContact O-N 3.19Å; F293-T707 HydrophobicContact CB-CG2 3.83Å; F293-T707 HydrophobicContact CG-CG2 4.37Å; F293-M708 HydrophobicContact CB-CE 3.61Å
294	A	97.9	Very high	97.4	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.008	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-72.6	-2.6	178.6	0	0	0	0	0	114.5	L255 K290 D296 G297 I701	L255-A294 HydrophobicContact CD1-CB 3.58Å; K290-A294 WeakPolarHBondContact O-CB 3.4Å; K290-A294 PolarHBondContact O-N 3.05Å; A294-D296 PolarHBondContact O-N 3.36Å; A294-D296 VanDerWaalsContact O-N 3.17Å; A294-G297 WeakPolarHBondContact O-CA 3.45Å; A294-G297 PolarHBondContact O-N 2.99Å; A294-I701 HydrophobicContact CB-CG2 4.32Å; A294-I701 WeakPolarHBondContact O-CG2 3.35Å
295	Y	98.1	Very high	97.5	Very high	11 Å²	11	26.5 Å²	26.5	4%	0.043	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-63	-20.3	179.9	70.6	-93	0	0	0	113.8	V271 M272 I274 R292 F293 G297 L298	V271-Y295 HydrophobicContact CG1-CD2 4.26Å; V271-Y295 HydrophobicContact CG1-CG 4.33Å; M272-Y295 WeakPolarHBondContact O-CE2 3.37Å; M272-Y295 VanDerWaalsContact O-CZ 3.26Å; M272-Y295 PolarHBondContact O-OH 3.33Å; I274-Y295 HydrophobicContact CG1-CD1 4.46Å; R292-Y295 VanDerWaalsContact O-CD1 3.22Å; R292-Y295 WeakPolarHBondContact O-CD1 3.41Å; R292-Y295 WeakPolarHBondContact O-CE1 3.46Å; F293-Y295 PolarHBondContact O-N 3.19Å; Y295-G297 VanDerWaalsContact C-N 3.29Å; Y295-L298 WeakPolarHBondContact O-CB 3.48Å; Y295-L298 PolarHBondContact O-N 3.41Å
296	D	97.4	Very high	97.5	Very high	23 Å²	23	24.7 Å²	24.7	12%	0.123	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-71.1	-26.7	172.1	67.5	-23.3	0	0	0	112.1	A294 L298 K299 S705 Q706 T707	A294-D296 PolarHBondContact O-N 3.36Å; A294-D296 VanDerWaalsContact O-N 3.17Å; D296-L298 VanDerWaalsContact C-N 3.28Å; D296-L298 PolarHBondContact O-N 2.8Å; D296-K299 PolarHBondContact O-N 3.2Å; D296-S705 VanDerWaalsContact CG-OG 3.24Å; D296-S705 WeakPolarHBondContact OD1-CB 3.38Å; D296-S705 PolarHBondContact OD1-OG 3.2Å; D296-S705 PolarHBondContact OD2-OG 3.49Å; D296-Q706 PolarHBondContact OD2-N 2.88Å; D296-Q706 VanDerWaalsContact OD2-N 3.12Å; D296-T707 VanDerWaalsContact OD2-CB 3.31Å; D296-T707 WeakPolarHBondContact OD2-CB 3.32Å; D296-T707 PolarHBondContact OD2-N 3.34Å; D296-T707 PolarHBondContact OD2-OG1 3.42Å
297	G	97.5	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-60.4	-37.1	171.4	0	0	0	0	0	112.1	A294 Y295 K299 R300 H573	A294-G297 WeakPolarHBondContact O-CA 3.45Å; A294-G297 PolarHBondContact O-N 2.99Å; Y295-G297 VanDerWaalsContact C-N 3.29Å; G297-K299 PolarHBondContact O-N 3.17Å; G297-R300 PolarHBondContact O-N 3.01Å; G297-H573 PolarHBondContact O-NE2 2.94Å
298	L	97.3	Very high	97.4	Very high	9 Å²	9	26.8 Å²	26.8	5%	0.047	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-59.9	-13.7	177.6	-65.3	172.1	0	0	0	114.4	Y295 D296 R302 A589 Y590 T591 I701	Y295-L298 WeakPolarHBondContact O-CB 3.48Å; Y295-L298 PolarHBondContact O-N 3.41Å; D296-L298 VanDerWaalsContact C-N 3.28Å; D296-L298 PolarHBondContact O-N 2.8Å; L298-R302 VanDerWaalsContact O-CD 3.25Å; L298-R302 WeakPolarHBondContact O-CD 3.42Å; L298-R302 VanDerWaalsContact O-CG 3.22Å; L298-R302 WeakPolarHBondContact O-CG 3.35Å; L298-R302 PolarHBondContact O-NH1 2.89Å; L298-A589 HydrophobicContact CD2-CB 3.56Å; L298-Y590 HydrophobicContact CD1-CE1 3.99Å; L298-Y590 HydrophobicContact CD2-CD1 4.32Å; L298-Y590 HydrophobicContact CD2-CE1 4.07Å; L298-Y590 HydrophobicContact CG-CE1 4.47Å; L298-T591 HydrophobicContact CD1-CG2 3.84Å; L298-I701 HydrophobicContact CD2-CD1 3.95Å; L298-I701 HydrophobicContact CD2-CG1 4.35Å; L298-I701 HydrophobicContact CD2-CG2 4Å; L298-I701 HydrophobicContact CG-CG2 4.05Å
299	K	94.4	Very high	97.2	Very high	89 Å²	89	29.5 Å²	29.5	39%	0.387	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-103.7	-3.8	-179.5	-55.9	177.5	-170.1	177.5	0	113.1	E270 V271 D296 G297	E270-K299 HydrophobicContact CG-CD 4.2Å; E270-K299 VanDerWaalsContact CG-CE 3.47Å; E270-K299 VanDerWaalsContact OE1-CD 3.28Å; E270-K299 WeakPolarHBondContact OE1-CD 3.33Å; E270-K299 WeakPolarHBondContact OE1-CE 3.22Å; E270-K299 IonicContact OE1-NZ 2.84Å; E270-K299 PolarHBondContact OE1-NZ 3.19Å; V271-K299 WeakPolarHBondContact O-CE 3.35Å; V271-K299 PolarHBondContact O-NZ 2.54Å; D296-K299 PolarHBondContact O-N 3.2Å; G297-K299 PolarHBondContact O-N 3.17Å
300	R	95.3	Very high	96.9	Very high	89 Å²	89	32.1 Å²	32.1	34%	0.336	15%	0.15	S	C	.	.	S	Bend	trans	-122.2	146.5	-171.8	-62.4	-174.1	73.7	-134.6	7.2	110.7	G297 R302 H573 A704	G297-R300 PolarHBondContact O-N 3.01Å; R300-R302 PolarHBondContact O-N 3.38Å; R300-H573 PolarHBondContact O-CD2 3.22Å; R300-H573 PolarHBondContact O-NE2 2.91Å; R300-A704 PolarHBondContact NH1-O 3.23Å
301	Q	94.1	Very high	96.5	Very high	116 Å²	116	41.8 Å²	41.8	54%	0.542	20%	0.195	S	C	.	.	S	Bend	trans	50.9	30.5	177	-61.9	-179.7	-10.1	0	0	114	H573 G574	Q301-H573 WeakPolarHBondContact O-CA 3.36Å; Q301-G574 PolarHBondContact O-N 3.38Å; Q301-G574 VanDerWaalsContact O-N 3.16Å
302	R	97.8	Very high	96.2	Very high	31 Å²	31	50.2 Å²	50.2	12%	0.117	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-74.4	136.5	-179.8	-69.2	-61.7	-58.2	-80.5	2.1	110.9	L298 R300 T304 H572 H573 E592 P614	L298-R302 VanDerWaalsContact O-CD 3.25Å; L298-R302 WeakPolarHBondContact O-CD 3.42Å; L298-R302 VanDerWaalsContact O-CG 3.22Å; L298-R302 WeakPolarHBondContact O-CG 3.35Å; L298-R302 PolarHBondContact O-NH1 2.89Å; R300-R302 PolarHBondContact O-N 3.38Å; R302-T304 HydrophobicContact CB-CG2 4.27Å; R302-T304 PolarHBondContact O-N 3.29Å; R302-H572 WeakPolarHBondContact CA-O 3.48Å; R302-H572 WeakPolarHBondContact CD-O 3.28Å; R302-H572 PolarHBondContact NE-O 3.11Å; R302-H572 VanDerWaalsContact NE-O 3.13Å; R302-H573 WeakPolarHBondContact CD-NE2 3.32Å; R302-E592 IonicContact CZ-OE1 3.13Å; R302-E592 IonicContact CZ-OE2 2.67Å; R302-E592 IonicContact NH1-OE1 3.79Å; R302-E592 PolarHBondContact NH1-OE1 3.49Å; R302-E592 IonicContact NH1-OE2 3.54Å; R302-E592 VanDerWaalsContact NH2-CD 3.34Å; R302-E592 IonicContact NH2-OE1 2.73Å; R302-E592 PolarHBondContact NH2-OE1 2.96Å; R302-E592 VanDerWaalsContact NH2-OE1 3.13Å; R302-E592 IonicContact NH2-OE2 3.63Å; R302-E592 PolarHBondContact NH2-OE2 3.25Å; R302-P614 HydrophobicContact CB-CG 4.27Å
303	L	97.7	Very high	95.7	Very high	12 Å²	12	51.7 Å²	51.7	6%	0.063	25%	0.25	C	C	.	.			trans	-77.3	111.3	168.3	-62.4	177.3	0	0	0	108.5	Y569 G571 H572 I584 P586	L303-Y569 HydrophobicContact CD1-CD1 3.99Å; L303-Y569 HydrophobicContact CD1-CE1 3.54Å; L303-G571 WeakPolarHBondContact CD1-O 3.45Å; L303-H572 PolarHBondContact N-O 3.42Å; L303-I584 HydrophobicContact CD1-CG2 3.58Å; L303-I584 HydrophobicContact CD2-CG2 4.02Å; L303-I584 HydrophobicContact CG-CG2 4.28Å; L303-P586 HydrophobicContact CB-CB 3.92Å; L303-P586 VanDerWaalsContact O-CB 3.24Å; L303-P586 WeakPolarHBondContact O-CB 3.48Å
304	T	97.4	Very high	95.5	Very high	45 Å²	45	57 Å²	57	28%	0.276	28%	0.277	S	S	.	.			trans	-110.9	-17.1	-173.6	56.1	0	0	0	0	113.3	R302 P614 M616	R302-T304 HydrophobicContact CB-CG2 4.27Å; R302-T304 PolarHBondContact O-N 3.29Å; T304-P614 HydrophobicContact CG2-CB 4.11Å; T304-P614 HydrophobicContact CG2-CG 4.2Å; T304-M616 WeakPolarHBondContact O-CA 3.34Å; T304-M616 WeakPolarHBondContact O-CB 3.49Å; T304-M616 PolarHBondContact O-N 3.45Å
305	Q	97.5	Very high	95.4	Very high	71 Å²	71	60.1 Å²	60.1	33%	0.332	29%	0.291	S	S	.	.	S	Bend	trans	-141.3	146	-178	-61.6	-169.9	22.2	0	0	110	Y317 M616	Q305-Y317 HydrophobicContact CB-CD1 3.62Å; Q305-Y317 HydrophobicContact CB-CE1 4Å; Q305-Y317 HydrophobicContact CG-CD1 4.24Å; Q305-Y317 HydrophobicContact CG-CE1 4.41Å; Q305-M616 HydrophobicContact CB-CE 3.52Å; Q305-M616 HydrophobicContact CG-CE 3.47Å; Q305-M616 VanDerWaalsContact CG-CE 3.47Å
306	P	98.1	Very high	95.4	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.307	C	S	.	.			trans	-58.7	139.9	169.6	-21.6	34.2	0	0	0	110.8	A318 W320 V323 I584 P586 M616	P306-A318 PolarHBondContact O-N 3.12Å; P306-W320 HydrophobicContact CG-CD2 3.64Å; P306-W320 HydrophobicContact CG-CE3 4.04Å; P306-W320 HydrophobicContact CG-CG 3.94Å; P306-W320 HydrophobicContact CG-CH2 4.49Å; P306-W320 HydrophobicContact CG-CZ2 4.14Å; P306-W320 HydrophobicContact CG-CZ3 4.44Å; P306-V323 HydrophobicContact CB-CB 4.16Å; P306-V323 HydrophobicContact CB-CG1 4.39Å; P306-V323 HydrophobicContact CB-CG2 3.74Å; P306-I584 WeakPolarHBondContact CA-O 3.26Å; P306-P586 HydrophobicContact CG-CG 4.15Å; P306-M616 VanDerWaalsContact CD-CE 3.45Å
307	M	97.7	Very high	95.4	Very high	31 Å²	31	68.8 Å²	68.8	15%	0.153	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.4	177.6	-56.6	171.9	-177.6	0	0	110.2	F315 V316 Y317 V583 I584	M307-F315 HydrophobicContact CB-CB 4.18Å; M307-F315 HydrophobicContact CB-CD1 3.82Å; M307-F315 HydrophobicContact CB-CG 4.31Å; M307-F315 HydrophobicContact SD-CB 4.19Å; M307-F315 HydrophobicContact SD-CG 4.49Å; M307-V316 VanDerWaalsContact CA-O 3.3Å; M307-V316 WeakPolarHBondContact CA-O 3.39Å; M307-Y317 HydrophobicContact CE-CD1 4.02Å; M307-Y317 HydrophobicContact CE-CE1 3.33Å; M307-Y317 HydrophobicContact CG-CD1 4.07Å; M307-Y317 HydrophobicContact CG-CE1 4.34Å; M307-V583 WeakPolarHBondContact O-CA 3.3Å; M307-I584 HydrophobicContact CB-CB 4.2Å; M307-I584 HydrophobicContact CB-CD1 4.46Å; M307-I584 PolarHBondContact N-O 3.49Å; M307-I584 VanDerWaalsContact N-O 3.13Å; M307-I584 PolarHBondContact O-N 3.24Å; M307-I584 HydrophobicContact SD-CD1 4.19Å
308	V	97.1	Very high	95.3	Very high	17 Å²	17	69.7 Å²	69.7	10%	0.103	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146	175.5	57.3	0	0	0	0	108.9	F315 V316 A318 V583	V308-F315 WeakPolarHBondContact O-CA 3.48Å; V308-V316 HydrophobicContact CG1-CG2 3.91Å; V308-V316 PolarHBondContact N-O 3.23Å; V308-V316 WeakPolarHBondContact O-CG2 3.36Å; V308-V316 PolarHBondContact O-N 2.88Å; V308-A318 HydrophobicContact CG1-CB 3.87Å; V308-V583 HydrophobicContact CB-CG2 4.34Å; V308-V583 HydrophobicContact CG2-CG2 4.01Å
309	K	94.3	Very high	95.3	Very high	59 Å²	59	71.1 Å²	71.1	26%	0.257	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.4	171.5	-76.3	-175.9	173.8	152.6	0	111.1	L314 F315 A581 D582	K309-L314 CarbonylContact C-O 3.56Å; K309-L314 WeakPolarHBondContact CA-O 3.46Å; K309-F315 HydrophobicContact CG-CD1 3.99Å; K309-F315 HydrophobicContact CG-CE1 3.82Å; K309-F315 HydrophobicContact CG-CG 4.5Å; K309-F315 HydrophobicContact CG-CZ 4.19Å; K309-A581 WeakPolarHBondContact CE-O 3.11Å; K309-A581 PolarHBondContact NZ-O 3.45Å; K309-D582 PolarHBondContact N-O 3.31Å; K309-D582 IonicContact NZ-OD1 2.7Å
310	D	91.9	Very high	95.4	Very high	55 Å²	55	68.4 Å²	68.4	29%	0.294	34%	0.335	S	S	.	.			trans	-77	-179.6	171.1	74.8	-5	0	0	0	111.7	K312 G313 L314 V316	D310-K312 PolarHBondContact O-N 3.22Å; D310-K312 VanDerWaalsContact O-N 3.11Å; D310-K312 WeakPolarHBondContact OD1-CA 3.04Å; D310-K312 WeakPolarHBondContact OD1-CB 3.26Å; D310-K312 PolarHBondContact OD1-N 2.8Å; D310-G313 PolarHBondContact O-N 2.84Å; D310-G313 PolarHBondContact OD1-N 2.84Å; D310-L314 PolarHBondContact N-O 3.45Å; D310-L314 PolarHBondContact OD1-N 2.94Å; D310-V316 HydrophobicContact CB-CG1 4.18Å; D310-V316 HydrophobicContact CB-CG2 4.34Å
311	E	89.6	Confident	95.5	Very high	209 Å²	209	70.3 Å²	70.3	98%	0.977	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-20	177.2	-62.7	177.9	179.7	0	0	113.4	G313	E311-G313 VanDerWaalsContact C-N 3.33Å
312	K	91.4	Very high	95.5	Very high	176 Å²	176	69.2 Å²	69.2	77%	0.765	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-2.2	176.6	-58.4	174.4	-178.5	171.8	0	112.2	D310 L314	D310-K312 PolarHBondContact O-N 3.22Å; D310-K312 VanDerWaalsContact O-N 3.11Å; D310-K312 WeakPolarHBondContact OD1-CA 3.04Å; D310-K312 WeakPolarHBondContact OD1-CB 3.26Å; D310-K312 PolarHBondContact OD1-N 2.8Å; K312-L314 VanDerWaalsContact C-N 3.33Å
313	G	89.5	Confident	95.4	Very high	41 Å²	41	67.7 Å²	67.7	42%	0.423	34%	0.34	S	S	.	.	S	Bend	trans	77.9	14.2	-177.9	0	0	0	0	0	114.3	D310 E311	D310-G313 PolarHBondContact O-N 2.84Å; D310-G313 PolarHBondContact OD1-N 2.84Å; E311-G313 VanDerWaalsContact C-N 3.33Å
314	L	94.6	Very high	95.4	Very high	111 Å²	111	67.9 Å²	67.9	58%	0.581	34%	0.341	S	S	*	.			trans	-98	144.4	178.6	-63.4	176.8	0	0	0	110.7	K309 D310 K312 V316	K309-L314 CarbonylContact C-O 3.56Å; K309-L314 WeakPolarHBondContact CA-O 3.46Å; D310-L314 PolarHBondContact N-O 3.45Å; D310-L314 PolarHBondContact OD1-N 2.94Å; K312-L314 VanDerWaalsContact C-N 3.33Å; L314-V316 PolarHBondContact O-N 3.41Å
315	F	95.7	Very high	95.3	Very high	68 Å²	68	69.8 Å²	69.8	30%	0.298	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	125.8	175.6	-74.5	-67.7	0	0	0	111.3	M307 V308 K309 A578 A581 I584	M307-F315 HydrophobicContact CB-CB 4.18Å; M307-F315 HydrophobicContact CB-CD1 3.82Å; M307-F315 HydrophobicContact CB-CG 4.31Å; M307-F315 HydrophobicContact SD-CB 4.19Å; M307-F315 HydrophobicContact SD-CG 4.49Å; V308-F315 WeakPolarHBondContact O-CA 3.48Å; K309-F315 HydrophobicContact CG-CD1 3.99Å; K309-F315 HydrophobicContact CG-CE1 3.82Å; K309-F315 HydrophobicContact CG-CG 4.5Å; K309-F315 HydrophobicContact CG-CZ 4.19Å; F315-A578 WeakPolarHBondContact CZ-O 3.46Å; F315-A581 HydrophobicContact CZ-CB 4.46Å; F315-A581 WeakPolarHBondContact CZ-O 3.19Å; F315-I584 HydrophobicContact CD1-CD1 4.02Å; F315-I584 HydrophobicContact CD1-CG1 4.49Å; F315-I584 HydrophobicContact CD2-CD1 4.41Å; F315-I584 HydrophobicContact CE1-CD1 3.58Å; F315-I584 HydrophobicContact CE1-CG1 3.8Å; F315-I584 HydrophobicContact CE2-CD1 4.01Å; F315-I584 HydrophobicContact CG-CD1 4.4Å; F315-I584 HydrophobicContact CZ-CD1 3.55Å; F315-I584 HydrophobicContact CZ-CG1 4.03Å
316	V	96.9	Very high	95.2	Very high	61 Å²	61	73.3 Å²	73.3	37%	0.37	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143.2	169.5	-64.1	0	0	0	0	109.7	M307 V308 D310 L314	M307-V316 VanDerWaalsContact CA-O 3.3Å; M307-V316 WeakPolarHBondContact CA-O 3.39Å; V308-V316 HydrophobicContact CG1-CG2 3.91Å; V308-V316 PolarHBondContact N-O 3.23Å; V308-V316 WeakPolarHBondContact O-CG2 3.36Å; V308-V316 PolarHBondContact O-N 2.88Å; D310-V316 HydrophobicContact CB-CG1 4.18Å; D310-V316 HydrophobicContact CB-CG2 4.34Å; L314-V316 PolarHBondContact O-N 3.41Å
317	Y	97.2	Very high	95.1	Very high	154 Å²	154	73.3 Å²	73.3	60%	0.604	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	136.8	174	-63.9	-66.8	0	0	0	110.4	Q305 M307	Q305-Y317 HydrophobicContact CB-CD1 3.62Å; Q305-Y317 HydrophobicContact CB-CE1 4Å; Q305-Y317 HydrophobicContact CG-CD1 4.24Å; Q305-Y317 HydrophobicContact CG-CE1 4.41Å; M307-Y317 HydrophobicContact CE-CD1 4.02Å; M307-Y317 HydrophobicContact CE-CE1 3.33Å; M307-Y317 HydrophobicContact CG-CD1 4.07Å; M307-Y317 HydrophobicContact CG-CE1 4.34Å
318	A	96.1	Very high	95.1	Very high	19 Å²	19	72 Å²	72	16%	0.157	36%	0.357	C	S	.	.			trans	-137.6	162.9	-179.5	0	0	0	0	0	111.8	P306 V308 V323	P306-A318 PolarHBondContact O-N 3.12Å; V308-A318 HydrophobicContact CG1-CB 3.87Å; A318-V323 HydrophobicContact CB-CG2 3.55Å
319	S	96.8	Very high	95	Very high	39 Å²	39	73 Å²	73	27%	0.273	37%	0.37	S	S	.	.			trans	-72.6	159.5	174.6	71.7	0	0	0	0	111.1	E321 D322 V323	S319-E321 VanDerWaalsContact C-N 3.27Å; S319-E321 WeakPolarHBondContact CB-OE2 3.01Å; S319-E321 PolarHBondContact O-N 2.74Å; S319-D322 WeakPolarHBondContact OG-CB 3.39Å; S319-D322 PolarHBondContact OG-N 3.05Å; S319-D322 VanDerWaalsContact OG-N 3.12Å; S319-D322 PolarHBondContact OG-OD2 2.92Å; S319-V323 WeakPolarHBondContact O-CG2 3.31Å; S319-V323 PolarHBondContact O-N 2.99Å
320	W	97.8	Very high	95	Very high	32 Å²	32	71.9 Å²	71.9	12%	0.121	37%	0.369	C	S	.	.	H	α-helix	trans	-62.8	-38.9	174	-87.1	109.1	0	0	0	110.7	P306 V323 L324 L585 P586 M616 R618 I623	P306-W320 HydrophobicContact CG-CD2 3.64Å; P306-W320 HydrophobicContact CG-CE3 4.04Å; P306-W320 HydrophobicContact CG-CG 3.94Å; P306-W320 HydrophobicContact CG-CH2 4.49Å; P306-W320 HydrophobicContact CG-CZ2 4.14Å; P306-W320 HydrophobicContact CG-CZ3 4.44Å; W320-V323 PolarHBondContact O-N 3.31Å; W320-L324 HydrophobicContact CB-CD1 4.31Å; W320-L324 HydrophobicContact CE3-CD1 4.01Å; W320-L324 HydrophobicContact CE3-CD2 4.06Å; W320-L324 HydrophobicContact CE3-CG 3.93Å; W320-L324 HydrophobicContact CZ3-CD2 4.22Å; W320-L324 VanDerWaalsContact O-CB 3.23Å; W320-L324 WeakPolarHBondContact O-CB 3.45Å; W320-L324 WeakPolarHBondContact O-CD1 3.38Å; W320-L324 WeakPolarHBondContact O-CG 3.33Å; W320-L324 PolarHBondContact O-N 3.1Å; W320-L585 HydrophobicContact CH2-CB 4.39Å; W320-L585 HydrophobicContact CZ3-CB 4.34Å; W320-L585 HydrophobicContact CZ3-CD2 4.07Å; W320-P586 HydrophobicContact CH2-CG 4.06Å; W320-P586 HydrophobicContact CZ2-CG 3.69Å; W320-M616 WeakPolarHBondContact CZ2-O 3.22Å; W320-M616 PolarHBondContact NE1-O 3.44Å; W320-R618 HydrophobicContact CZ2-CB 4.19Å; W320-R618 HydrophobicContact CZ2-CG 3.78Å; W320-I623 HydrophobicContact CH2-CD1 3.67Å; W320-I623 HydrophobicContact CH2-CG1 3.69Å; W320-I623 HydrophobicContact CH2-CG2 4.19Å; W320-I623 HydrophobicContact CZ2-CD1 4.45Å; W320-I623 HydrophobicContact CZ2-CG1 4.5Å; W320-I623 HydrophobicContact CZ3-CD1 4.43Å; W320-I623 HydrophobicContact CZ3-CG1 4.11Å; W320-I623 HydrophobicContact CZ3-CG2 3.88Å
321	E	96.1	Very high	95.1	Very high	130 Å²	130	69.4 Å²	69.4	61%	0.607	36%	0.356	S	S	*	.	H	α-helix	trans	-60.1	-48.5	179.7	-62.9	79.3	-175.3	0	0	111.6	S319 V323 T325	S319-E321 VanDerWaalsContact C-N 3.27Å; S319-E321 WeakPolarHBondContact CB-OE2 3.01Å; S319-E321 PolarHBondContact O-N 2.74Å; E321-V323 PolarHBondContact O-N 3.09Å; E321-T325 VanDerWaalsContact O-CB 3.26Å; E321-T325 WeakPolarHBondContact O-CB 3.41Å; E321-T325 PolarHBondContact O-N 2.68Å; E321-T325 PolarHBondContact O-OG1 3.43Å
322	D	94.8	Very high	95.3	Very high	92 Å²	92	64.9 Å²	64.9	49%	0.492	33%	0.334	S	S	.	.	H	α-helix	trans	-63.1	-45.4	-179.4	-66.7	-40.3	0	0	0	111.5	S319 R326	S319-D322 WeakPolarHBondContact OG-CB 3.39Å; S319-D322 PolarHBondContact OG-N 3.05Å; S319-D322 VanDerWaalsContact OG-N 3.12Å; S319-D322 PolarHBondContact OG-OD2 2.92Å; D322-R326 VanDerWaalsContact O-CG 3.27Å; D322-R326 WeakPolarHBondContact O-CG 3.4Å; D322-R326 PolarHBondContact O-N 2.76Å; D322-R326 VanDerWaalsContact O-N 3.14Å
323	V	96.1	Very high	95.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-71.4	-45.3	-175.9	174.5	0	0	0	0	111.3	P306 A318 S319 W320 E321 T325 R326 V327 V583 L585	P306-V323 HydrophobicContact CB-CB 4.16Å; P306-V323 HydrophobicContact CB-CG1 4.39Å; P306-V323 HydrophobicContact CB-CG2 3.74Å; A318-V323 HydrophobicContact CB-CG2 3.55Å; S319-V323 WeakPolarHBondContact O-CG2 3.31Å; S319-V323 PolarHBondContact O-N 2.99Å; W320-V323 PolarHBondContact O-N 3.31Å; E321-V323 PolarHBondContact O-N 3.09Å; V323-T325 VanDerWaalsContact C-N 3.33Å; V323-T325 PolarHBondContact O-N 2.99Å; V323-R326 PolarHBondContact O-N 2.95Å; V323-V327 WeakPolarHBondContact O-CG2 3.08Å; V323-V327 PolarHBondContact O-N 2.87Å; V323-V583 HydrophobicContact CG1-CG1 3.28Å; V323-L585 HydrophobicContact CG1-CD2 3.3Å
324	L	96.5	Very high	95.6	Very high	16 Å²	16	59.4 Å²	59.4	8%	0.084	32%	0.316	C	S	.	.	H	α-helix	trans	-65.7	-37.3	179	-65.3	170.6	0	0	0	111.6	W320 V327 A328 I623 A626 I627 L630	W320-L324 HydrophobicContact CB-CD1 4.31Å; W320-L324 HydrophobicContact CE3-CD1 4.01Å; W320-L324 HydrophobicContact CE3-CD2 4.06Å; W320-L324 HydrophobicContact CE3-CG 3.93Å; W320-L324 HydrophobicContact CZ3-CD2 4.22Å; W320-L324 VanDerWaalsContact O-CB 3.23Å; W320-L324 WeakPolarHBondContact O-CB 3.45Å; W320-L324 WeakPolarHBondContact O-CD1 3.38Å; W320-L324 WeakPolarHBondContact O-CG 3.33Å; W320-L324 PolarHBondContact O-N 3.1Å; L324-V327 PolarHBondContact O-N 3.15Å; L324-A328 WeakPolarHBondContact O-CB 2.95Å; L324-A328 PolarHBondContact O-N 3.38Å; L324-I623 HydrophobicContact CD2-CG2 4.46Å; L324-A626 HydrophobicContact CD1-CB 4.18Å; L324-I627 HydrophobicContact CD2-CD1 4.23Å; L324-I627 HydrophobicContact CD2-CG1 3.45Å; L324-I627 VanDerWaalsContact CD2-CG1 3.45Å; L324-L630 HydrophobicContact CB-CD1 3.46Å; L324-L630 VanDerWaalsContact CB-CD1 3.46Å; L324-L630 HydrophobicContact CD1-CD1 4.23Å; L324-L630 HydrophobicContact CG-CD1 4.46Å
325	T	95.9	Very high	95.5	Very high	85 Å²	85	60.6 Å²	60.6	52%	0.521	32%	0.319	S	S	.	.	H	α-helix	trans	-64.8	-40.3	176.1	-56.4	0	0	0	0	111.6	E321 V323 G329	E321-T325 VanDerWaalsContact O-CB 3.26Å; E321-T325 WeakPolarHBondContact O-CB 3.41Å; E321-T325 PolarHBondContact O-N 2.68Å; E321-T325 PolarHBondContact O-OG1 3.43Å; V323-T325 VanDerWaalsContact C-N 3.33Å; V323-T325 PolarHBondContact O-N 2.99Å; T325-G329 PolarHBondContact O-N 3.32Å
326	R	95.8	Very high	95.3	Very high	145 Å²	145	58.1 Å²	58.1	55%	0.547	31%	0.312	S	S	.	.	H	α-helix	trans	-62.9	-47.7	174.7	-73.4	170.4	-172.9	-90.1	0.3	111.6	D322 V323 G329 V330	D322-R326 VanDerWaalsContact O-CG 3.27Å; D322-R326 WeakPolarHBondContact O-CG 3.4Å; D322-R326 PolarHBondContact O-N 2.76Å; D322-R326 VanDerWaalsContact O-N 3.14Å; V323-R326 PolarHBondContact O-N 2.95Å; R326-G329 PolarHBondContact O-N 3.46Å; R326-V330 WeakPolarHBondContact O-CG2 3.28Å; R326-V330 PolarHBondContact O-N 3.48Å
327	V	96.5	Very high	95	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.6	-45.1	178.4	171.3	0	0	0	0	111	V323 L324 V330 L331 I568 V583 I627	V323-V327 WeakPolarHBondContact O-CG2 3.08Å; V323-V327 PolarHBondContact O-N 2.87Å; L324-V327 PolarHBondContact O-N 3.15Å; V327-V330 PolarHBondContact O-N 3.24Å; V327-L331 HydrophobicContact CG1-CD1 3.92Å; V327-L331 HydrophobicContact CG1-CG 4.42Å; V327-L331 WeakPolarHBondContact O-CG 3.48Å; V327-L331 PolarHBondContact O-N 3.3Å; V327-I568 HydrophobicContact CB-CD1 4.44Å; V327-I568 HydrophobicContact CG1-CD1 3.63Å; V327-I568 HydrophobicContact CG1-CG1 4.41Å; V327-I568 HydrophobicContact CG2-CD1 4.22Å; V327-I568 HydrophobicContact CG2-CG1 4.14Å; V327-I568 HydrophobicContact CG2-CG2 4.29Å; V327-V583 HydrophobicContact CG2-CB 4.41Å; V327-V583 HydrophobicContact CG2-CG1 3.84Å; V327-I627 HydrophobicContact CG1-CD1 3.94Å; V327-I627 HydrophobicContact CG1-CG1 4.22Å; V327-I627 HydrophobicContact CG1-CG2 3.9Å
328	A	95.9	Very high	94.8	Very high	3 Å²	3	57.2 Å²	57.2	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-45.5	177	0	0	0	0	0	112.2	L324 V330 L331 Q332 L630 A631	L324-A328 WeakPolarHBondContact O-CB 2.95Å; L324-A328 PolarHBondContact O-N 3.38Å; A328-V330 VanDerWaalsContact C-N 3.32Å; A328-V330 PolarHBondContact O-N 2.83Å; A328-L331 PolarHBondContact O-N 3.44Å; A328-Q332 VanDerWaalsContact O-CG 3.32Å; A328-Q332 WeakPolarHBondContact O-CG 3.43Å; A328-Q332 PolarHBondContact O-N 3.15Å; A328-L630 HydrophobicContact CB-CB 3.84Å; A328-A631 HydrophobicContact CB-CB 4.03Å
329	G	95.3	Very high	94.9	Very high	37 Å²	37	56.3 Å²	56.3	38%	0.381	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-37.9	177.5	0	0	0	0	0	113.1	T325 R326 A333	T325-G329 PolarHBondContact O-N 3.32Å; R326-G329 PolarHBondContact O-N 3.46Å; G329-A333 PolarHBondContact O-N 2.86Å
330	V	95.1	Very high	94.9	Very high	37 Å²	37	54.5 Å²	54.5	22%	0.224	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-42.8	174.5	170.2	0	0	0	0	111.4	R326 V327 A328 Q332 A333 V545 F566	R326-V330 WeakPolarHBondContact O-CG2 3.28Å; R326-V330 PolarHBondContact O-N 3.48Å; V327-V330 PolarHBondContact O-N 3.24Å; A328-V330 VanDerWaalsContact C-N 3.32Å; A328-V330 PolarHBondContact O-N 2.83Å; V330-Q332 VanDerWaalsContact C-N 3.35Å; V330-Q332 PolarHBondContact O-N 3.18Å; V330-A333 PolarHBondContact O-N 3.33Å; V330-V545 HydrophobicContact CG1-CB 4.38Å; V330-V545 HydrophobicContact CG1-CG1 4.1Å; V330-V545 HydrophobicContact CG1-CG2 3.32Å; V330-F566 HydrophobicContact CB-CD1 4.32Å; V330-F566 HydrophobicContact CB-CE1 4.45Å; V330-F566 HydrophobicContact CG1-CB 4.23Å; V330-F566 HydrophobicContact CG1-CD1 3.78Å; V330-F566 HydrophobicContact CG1-CE1 4.38Å; V330-F566 HydrophobicContact CG1-CG 4.1Å; V330-F566 HydrophobicContact CG2-CD1 4.16Å; V330-F566 HydrophobicContact CG2-CD2 4.47Å; V330-F566 HydrophobicContact CG2-CE1 4.12Å; V330-F566 HydrophobicContact CG2-CE2 4.44Å; V330-F566 HydrophobicContact CG2-CG 4.31Å; V330-F566 HydrophobicContact CG2-CZ 4.25Å
331	L	94.3	Very high	94.9	Very high	3 Å²	3	53 Å²	53	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-67.4	-32.6	178.4	-73.4	173.5	0	0	0	113.1	V327 A328 A333 V334 V339 L358 V545 I627	V327-L331 HydrophobicContact CG1-CD1 3.92Å; V327-L331 HydrophobicContact CG1-CG 4.42Å; V327-L331 WeakPolarHBondContact O-CG 3.48Å; V327-L331 PolarHBondContact O-N 3.3Å; A328-L331 PolarHBondContact O-N 3.44Å; L331-A333 PolarHBondContact O-N 3.43Å; L331-V334 WeakPolarHBondContact O-CG2 3.49Å; L331-V339 HydrophobicContact CD2-CG2 3.98Å; L331-L358 HydrophobicContact CD1-CD2 4.26Å; L331-V545 HydrophobicContact CD2-CG1 4.17Å; L331-I627 HydrophobicContact CD1-CG2 3.46Å; L331-I627 VanDerWaalsContact CD1-CG2 3.46Å
332	Q	94.1	Very high	95	Very high	113 Å²	113	47 Å²	47	53%	0.528	26%	0.255	S	S	.	.	H	α-helix	trans	-68	-23.4	174.1	-75.8	173.1	-14.6	0	0	113.2	A328 V330 A631	A328-Q332 VanDerWaalsContact O-CG 3.32Å; A328-Q332 WeakPolarHBondContact O-CG 3.43Å; A328-Q332 PolarHBondContact O-N 3.15Å; V330-Q332 VanDerWaalsContact C-N 3.35Å; V330-Q332 PolarHBondContact O-N 3.18Å; Q332-A631 HydrophobicContact CG-CB 4.39Å; Q332-A631 WeakPolarHBondContact CG-O 3.41Å; Q332-A631 PolarHBondContact NE2-O 2.94Å
333	A	93.4	Very high	95.2	Very high	84 Å²	84	42.6 Å²	42.6	69%	0.694	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-4.3	-176.7	0	0	0	0	0	113.9	G329 V330 L331	G329-A333 PolarHBondContact O-N 2.86Å; V330-A333 PolarHBondContact O-N 3.33Å; L331-A333 PolarHBondContact O-N 3.43Å
334	V	92.8	Very high	95.3	Very high	18 Å²	18	42.6 Å²	42.6	11%	0.109	23%	0.231	C	C	.	.			trans	-122.8	152.3	-176.8	-65.2	0	0	0	0	111.2	L331 D338 V339 V362 V545	L331-V334 WeakPolarHBondContact O-CG2 3.49Å; V334-D338 HydrophobicContact CB-CB 3.89Å; V334-D338 HydrophobicContact CG1-CB 4.06Å; V334-V339 HydrophobicContact CG2-CB 3.97Å; V334-V339 HydrophobicContact CG2-CG1 4.44Å; V334-V362 WeakPolarHBondContact O-CG1 3.33Å; V334-V545 HydrophobicContact CG1-CG2 3.73Å; V334-V545 HydrophobicContact CG2-CB 4.5Å; V334-V545 HydrophobicContact CG2-CG2 4.08Å
335	E	91.6	Very high	95.3	Very high	137 Å²	137	42.5 Å²	42.5	64%	0.64	23%	0.234	S	C	*	.			trans	-143.5	146.5	176.1	-164	-177.4	167.6	0	0	110.6	K337 D338	E335-K337 PolarHBondContact O-N 3.3Å; E335-K337 VanDerWaalsContact O-N 3.14Å; E335-D338 PolarHBondContact O-N 3.32Å
336	G	92.2	Very high	95.4	Very high	15 Å²	15	39.2 Å²	39.2	16%	0.155	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	59.1	-115.8	171.5	0	0	0	0	0	113.1	D338 V339 V362 N363 S364	G336-D338 PolarHBondContact O-N 3.04Å; G336-V339 PolarHBondContact O-N 3.46Å; G336-V362 PolarHBondContact N-O 3.32Å; G336-N363 WeakPolarHBondContact CA-O 3.38Å; G336-S364 WeakPolarHBondContact O-CB 3.22Å; G336-S364 PolarHBondContact O-OG 3.46Å
337	K	90.3	Very high	95.6	Very high	143 Å²	143	32.7 Å²	32.7	62%	0.622	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-73.6	-4.7	-173.6	-62	-177.7	-176.7	177.5	0	114.2	E335 V339 M366	E335-K337 PolarHBondContact O-N 3.3Å; E335-K337 VanDerWaalsContact O-N 3.14Å; K337-V339 VanDerWaalsContact C-N 3.33Å; K337-M366 VanDerWaalsContact C-CE 3.46Å; K337-M366 HydrophobicContact CB-CE 4.41Å; K337-M366 WeakPolarHBondContact O-CE 3.39Å
338	D	94.4	Very high	95.7	Very high	54 Å²	54	32.7 Å²	32.7	29%	0.289	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-83.2	-9.9	179.3	-78.1	-12	0	0	0	113.1	V334 E335 G336 P543 K544 V545	V334-D338 HydrophobicContact CB-CB 3.89Å; V334-D338 HydrophobicContact CG1-CB 4.06Å; E335-D338 PolarHBondContact O-N 3.32Å; G336-D338 PolarHBondContact O-N 3.04Å; D338-P543 WeakPolarHBondContact O-CB 3.07Å; D338-K544 HydrophobicContact CB-CB 4.5Å; D338-K544 HydrophobicContact CB-CD 4.3Å; D338-K544 HydrophobicContact CB-CG 4.5Å; D338-K544 PolarHBondContact O-N 3.33Å; D338-K544 IonicContact OD1-NZ 2.74Å; D338-K544 IonicContact OD2-NZ 3.36Å; D338-K544 PolarHBondContact OD2-NZ 3.14Å; D338-V545 PolarHBondContact O-N 2.92Å
339	V	96.5	Very high	95.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.8	177.5	63.8	0	0	0	0	111.8	L331 V334 G336 K337 L359 V362 S364 M366 V545	L331-V339 HydrophobicContact CD2-CG2 3.98Å; V334-V339 HydrophobicContact CG2-CB 3.97Å; V334-V339 HydrophobicContact CG2-CG1 4.44Å; G336-V339 PolarHBondContact O-N 3.46Å; K337-V339 VanDerWaalsContact C-N 3.33Å; V339-L359 HydrophobicContact CG2-CG 4.4Å; V339-V362 HydrophobicContact CG1-CB 4.38Å; V339-V362 HydrophobicContact CG1-CG1 3.87Å; V339-S364 VanDerWaalsContact CG1-CB 3.46Å; V339-S364 PolarHBondContact O-OG 2.9Å; V339-M366 WeakPolarHBondContact O-CE 3.26Å; V339-V545 WeakPolarHBondContact CA-O 3.11Å; V339-V545 HydrophobicContact CB-CB 4.37Å; V339-V545 HydrophobicContact CG2-CB 4.12Å; V339-V545 HydrophobicContact CG2-CG1 4.18Å
340	A	97.5	Very high	96	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	165.6	172.4	0	0	0	0	0	111.6	M366 I538 P543 V545 L546 F547	A340-M366 CarbonylContact C-O 3.49Å; A340-M366 VanDerWaalsContact CA-O 3.32Å; A340-M366 WeakPolarHBondContact CA-O 3.27Å; A340-M366 HydrophobicContact CB-CB 3.8Å; A340-M366 HydrophobicContact CB-CE 3.83Å; A340-M366 WeakPolarHBondContact CB-O 3.49Å; A340-I538 HydrophobicContact CB-CD1 3.81Å; A340-I538 HydrophobicContact CB-CG1 3.75Å; A340-P543 HydrophobicContact CB-CB 3.99Å; A340-P543 HydrophobicContact CB-CG 3.67Å; A340-V545 PolarHBondContact N-O 3.22Å; A340-L546 HydrophobicContact CB-CD1 4.12Å; A340-L546 WeakPolarHBondContact O-CA 3.32Å; A340-F547 PolarHBondContact O-N 3.4Å
341	A	98.1	Very high	96.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.7	172.2	0	0	0	0	0	112.1	L355 L359 M366 L367 C368 F547	A341-L355 HydrophobicContact CB-CD2 3.64Å; A341-L355 HydrophobicContact CB-CG 4.12Å; A341-L359 HydrophobicContact CB-CD2 3.73Å; A341-M366 PolarHBondContact N-O 2.89Å; A341-L367 HydrophobicContact CB-CD2 4.04Å; A341-C368 PolarHBondContact O-N 2.7Å; A341-F547 CarbonylContact C-O 3.53Å; A341-F547 WeakPolarHBondContact CA-O 3.41Å; A341-F547 HydrophobicContact CB-CB 4.04Å
342	I	98.4	Very high	96.3	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.2	170.5	-58.7	170.7	0	0	0	108.1	C368 E370 V535 I538 L546 F547 L548 L549 A551 I556	I342-C368 CarbonylContact C-O 3.57Å; I342-C368 WeakPolarHBondContact CA-O 3.48Å; I342-C368 HydrophobicContact CG1-CB 4.4Å; I342-E370 HydrophobicContact CG2-CG 3.87Å; I342-V535 HydrophobicContact CD1-CG1 3.96Å; I342-V535 HydrophobicContact CG1-CG1 4.25Å; I342-V535 HydrophobicContact CG2-CG1 4.31Å; I342-I538 HydrophobicContact CD1-CD1 3.85Å; I342-I538 HydrophobicContact CG1-CD1 3.43Å; I342-I538 VanDerWaalsContact CG1-CD1 3.43Å; I342-L546 HydrophobicContact CD1-CD1 4.05Å; I342-L546 HydrophobicContact CD1-CD2 4.3Å; I342-L546 HydrophobicContact CG1-CD1 4.07Å; I342-F547 PolarHBondContact N-O 2.89Å; I342-L548 HydrophobicContact CB-CD2 3.88Å; I342-L548 HydrophobicContact CD1-CD2 3.84Å; I342-L548 HydrophobicContact CG1-CD2 4.21Å; I342-L549 PolarHBondContact O-N 2.64Å; I342-A551 HydrophobicContact CB-CB 4.26Å; I342-A551 HydrophobicContact CG2-CB 3.78Å; I342-I556 HydrophobicContact CD1-CB 4.01Å; I342-I556 HydrophobicContact CD1-CG1 3.68Å
343	A	98.4	Very high	96.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	126.5	172.4	0	0	0	0	0	110.8	L352 C368 E370 F531	A343-L352 HydrophobicContact CB-CD2 3.45Å; A343-L352 VanDerWaalsContact CB-CD2 3.45Å; A343-C368 PolarHBondContact N-O 2.92Å; A343-E370 PolarHBondContact O-N 3.2Å; A343-E370 VanDerWaalsContact O-N 3.15Å; A343-F531 HydrophobicContact CB-CD1 4.33Å; A343-F531 HydrophobicContact CB-CE1 4.1Å
344	G	97.9	Very high	96.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.			trans	-77.8	173.3	175.3	0	0	0	0	0	113.8	L346 V347 E370 S522 L549 G550	G344-L346 VanDerWaalsContact C-N 3.3Å; G344-L346 PolarHBondContact O-N 3.04Å; G344-V347 WeakPolarHBondContact O-CG2 3.28Å; G344-E370 WeakPolarHBondContact CA-OE2 3.42Å; G344-S522 WeakPolarHBondContact O-CB 3.43Å; G344-S522 PolarHBondContact O-OG 3.12Å; G344-L549 PolarHBondContact N-O 3.42Å; G344-G550 WeakPolarHBondContact CA-O 3.36Å
345	G	97.3	Very high	97.1	Very high	14 Å²	14	18.6 Å²	18.6	14%	0.144	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-14.6	-171.7	0	0	0	0	0	117.5	E370 V520 A521 S522	G345-E370 PolarHBondContact N-OE2 2.67Å; G345-V520 WeakPolarHBondContact O-CG1 3.14Å; G345-A521 PolarHBondContact O-N 3.21Å; G345-S522 VanDerWaalsContact C-OG 3.29Å; G345-S522 VanDerWaalsContact CA-OG 3.31Å; G345-S522 WeakPolarHBondContact CA-OG 3.4Å; G345-S522 WeakPolarHBondContact O-CB 3.38Å; G345-S522 PolarHBondContact O-N 2.82Å; G345-S522 PolarHBondContact O-OG 3.05Å
346	L	98.4	Very high	97.4	Very high	17 Å²	17	14 Å²	14	9%	0.089	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	16.5	-173.9	-56.8	-176.8	0	0	0	113.6	V254 G344 Y597 D699 I701	V254-L346 HydrophobicContact CB-CD2 4.28Å; V254-L346 HydrophobicContact CG2-CD2 4Å; V254-L346 WeakPolarHBondContact O-CD2 3.47Å; G344-L346 VanDerWaalsContact C-N 3.3Å; G344-L346 PolarHBondContact O-N 3.04Å; L346-Y597 PolarHBondContact O-OH 3.42Å; L346-Y597 VanDerWaalsContact O-OH 3.11Å; L346-D699 HydrophobicContact CD1-CB 4Å; L346-D699 HydrophobicContact CD2-CB 4.29Å; L346-D699 HydrophobicContact CG-CB 4.28Å; L346-I701 HydrophobicContact CD1-CD1 3.7Å; L346-I701 HydrophobicContact CD1-CG1 3.79Å
347	V	98.6	Very high	97.7	Very high	7 Å²	7	13.7 Å²	13.7	4%	0.042	7%	0.068	C	C	.	.			trans	-83.7	138.2	-176.8	-174.5	0	0	0	0	110.9	G344 A351 L352 S522 L549	G344-V347 WeakPolarHBondContact O-CG2 3.28Å; V347-A351 HydrophobicContact CG1-CB 3.96Å; V347-L352 HydrophobicContact CB-CD2 4.33Å; V347-L352 HydrophobicContact CB-CG 4.46Å; V347-L352 HydrophobicContact CG1-CD2 3.85Å; V347-L352 HydrophobicContact CG1-CG 3.81Å; V347-S522 WeakPolarHBondContact O-CB 3.31Å; V347-L549 HydrophobicContact CG1-CD2 3.4Å; V347-L549 HydrophobicContact CG1-CG 3.75Å; V347-L549 HydrophobicContact CG2-CB 4.45Å; V347-L549 HydrophobicContact CG2-CD2 4.36Å; V347-L549 HydrophobicContact CG2-CG 3.85Å; V347-L549 WeakPolarHBondContact CG2-O 3.33Å
348	D	98.5	Very high	98	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.039	C	C	.	.			trans	-81.6	156.1	176.1	53.2	-51.9	0	0	0	114	E350 A351 L352 K593 A595 Y597	D348-E350 VanDerWaalsContact C-N 3.3Å; D348-E350 PolarHBondContact O-N 3.01Å; D348-A351 PolarHBondContact O-N 2.91Å; D348-A351 WeakPolarHBondContact OD1-CB 3.32Å; D348-L352 WeakPolarHBondContact O-CG 3.23Å; D348-L352 PolarHBondContact O-N 3.15Å; D348-K593 IonicContact OD1-NZ 3.58Å; D348-K593 PolarHBondContact OD1-NZ 3.06Å; D348-A595 HydrophobicContact CB-CB 3.55Å; D348-Y597 HydrophobicContact CB-CE1 4.35Å; D348-Y597 HydrophobicContact CB-CE2 4.11Å
349	A	98.6	Very high	98.2	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-60	-37.7	-178.7	0	0	0	0	0	112.8	L352 I353 A525 L529 T596 L647 L654	A349-L352 PolarHBondContact O-N 2.96Å; A349-I353 WeakPolarHBondContact O-CG2 3.43Å; A349-I353 PolarHBondContact O-N 2.8Å; A349-A525 HydrophobicContact CB-CB 4.22Å; A349-L529 HydrophobicContact CB-CD1 4.48Å; A349-T596 HydrophobicContact CB-CG2 4.19Å; A349-T596 PolarHBondContact N-O 3.4Å; A349-L647 HydrophobicContact CB-CD1 4.19Å; A349-L647 HydrophobicContact CB-CD2 4.15Å; A349-L654 HydrophobicContact CB-CD1 4.42Å
350	E	98.7	Very high	98.2	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-61	-45.6	177.3	-71.6	87.3	165.9	0	0	111.9	D348 I353 A354 T596 W621 L640 I643 R644 L647	D348-E350 VanDerWaalsContact C-N 3.3Å; D348-E350 PolarHBondContact O-N 3.01Å; E350-I353 VanDerWaalsContact O-CG2 3.23Å; E350-I353 WeakPolarHBondContact O-CG2 2.91Å; E350-A354 WeakPolarHBondContact O-CB 3.4Å; E350-A354 PolarHBondContact O-N 3.43Å; E350-T596 WeakPolarHBondContact OE1-CB 3.41Å; E350-T596 PolarHBondContact OE1-N 2.83Å; E350-T596 PolarHBondContact OE1-OG1 3.21Å; E350-T596 WeakPolarHBondContact OE2-CB 3.15Å; E350-T596 PolarHBondContact OE2-N 3.18Å; E350-T596 PolarHBondContact OE2-OG1 3.45Å; E350-W621 HydrophobicContact CB-CB 4.3Å; E350-W621 HydrophobicContact CB-CG 4.31Å; E350-L640 HydrophobicContact CG-CD1 3.89Å; E350-I643 HydrophobicContact CB-CD1 4.08Å; E350-I643 HydrophobicContact CB-CG2 4.45Å; E350-I643 HydrophobicContact CG-CG2 3.98Å; E350-I643 VanDerWaalsContact O-CD1 3.24Å; E350-I643 WeakPolarHBondContact O-CD1 3.49Å; E350-R644 IonicContact OE1-CZ 2.93Å; E350-R644 IonicContact OE1-NE 3.7Å; E350-R644 PolarHBondContact OE1-NE 3.15Å; E350-R644 IonicContact OE1-NH2 2.63Å; E350-L647 HydrophobicContact CG-CD1 3.93Å
351	A	98.6	Very high	98.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-68.6	-36.8	176.4	0	0	0	0	0	112.3	V347 D348 A354 L355 L549 D620 I624	V347-A351 HydrophobicContact CG1-CB 3.96Å; D348-A351 PolarHBondContact O-N 2.91Å; D348-A351 WeakPolarHBondContact OD1-CB 3.32Å; A351-A354 PolarHBondContact O-N 3.4Å; A351-L355 WeakPolarHBondContact O-CB 3.39Å; A351-L355 PolarHBondContact O-N 3.38Å; A351-L549 HydrophobicContact CB-CD2 3.98Å; A351-D620 HydrophobicContact CB-CB 3.65Å; A351-I624 HydrophobicContact CB-CD1 4.26Å; A351-I624 WeakPolarHBondContact O-CD1 3.28Å
352	L	98.8	Very high	98	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.8	-49.6	174.9	-69.6	171.3	0	0	0	111.9	A343 V347 D348 A349 A354 L355 K356 A525 A526 L529 F531	A343-L352 HydrophobicContact CB-CD2 3.45Å; A343-L352 VanDerWaalsContact CB-CD2 3.45Å; V347-L352 HydrophobicContact CB-CD2 4.33Å; V347-L352 HydrophobicContact CB-CG 4.46Å; V347-L352 HydrophobicContact CG1-CD2 3.85Å; V347-L352 HydrophobicContact CG1-CG 3.81Å; D348-L352 WeakPolarHBondContact O-CG 3.23Å; D348-L352 PolarHBondContact O-N 3.15Å; A349-L352 PolarHBondContact O-N 2.96Å; L352-A354 VanDerWaalsContact C-N 3.3Å; L352-A354 PolarHBondContact O-N 2.64Å; L352-L355 PolarHBondContact O-N 3.25Å; L352-K356 WeakPolarHBondContact O-CB 3.23Å; L352-K356 PolarHBondContact O-N 3.36Å; L352-A525 HydrophobicContact CD1-CB 4.27Å; L352-A526 HydrophobicContact CD1-CB 3.87Å; L352-A526 HydrophobicContact CD2-CB 4.43Å; L352-L529 HydrophobicContact CB-CD1 3.53Å; L352-L529 HydrophobicContact CD1-CD1 4.28Å; L352-F531 HydrophobicContact CB-CE2 4.11Å; L352-F531 HydrophobicContact CB-CZ 4.07Å; L352-F531 HydrophobicContact CD2-CD1 4.42Å; L352-F531 HydrophobicContact CD2-CE1 3.83Å; L352-F531 HydrophobicContact CD2-CE2 4.36Å; L352-F531 HydrophobicContact CD2-CZ 3.8Å; L352-F531 WeakPolarHBondContact O-CZ 3.46Å
353	I	98.6	Very high	97.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67.3	-34.4	178.5	-171.3	54.4	0	0	0	111.5	A349 E350 K356 D357 L529 I643 R646 L647 V650	A349-I353 WeakPolarHBondContact O-CG2 3.43Å; A349-I353 PolarHBondContact O-N 2.8Å; E350-I353 VanDerWaalsContact O-CG2 3.23Å; E350-I353 WeakPolarHBondContact O-CG2 2.91Å; I353-K356 HydrophobicContact CD1-CB 4.45Å; I353-K356 HydrophobicContact CD1-CD 4.25Å; I353-K356 PolarHBondContact O-N 3.37Å; I353-D357 WeakPolarHBondContact O-CB 3.44Å; I353-D357 PolarHBondContact O-N 2.88Å; I353-L529 HydrophobicContact CB-CD1 4.25Å; I353-L529 HydrophobicContact CB-CD2 4.37Å; I353-L529 HydrophobicContact CD1-CD2 4.32Å; I353-I643 HydrophobicContact CG2-CD1 3.96Å; I353-I643 HydrophobicContact CG2-CG1 3.77Å; I353-R646 HydrophobicContact CG1-CG 3.98Å; I353-L647 HydrophobicContact CB-CD2 3.65Å; I353-L647 HydrophobicContact CG1-CD2 4.27Å; I353-L647 HydrophobicContact CG2-CD2 3.44Å; I353-L647 VanDerWaalsContact CG2-CD2 3.44Å; I353-L647 HydrophobicContact CG2-CG 3.89Å; I353-V650 HydrophobicContact CD1-CB 4.46Å; I353-V650 HydrophobicContact CD1-CG2 3.89Å
354	A	98.6	Very high	97.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.3	-45.4	176.3	0	0	0	0	0	112.4	E350 A351 L352 D357 L358 W621 I624 Y637 I643	E350-A354 WeakPolarHBondContact O-CB 3.4Å; E350-A354 PolarHBondContact O-N 3.43Å; A351-A354 PolarHBondContact O-N 3.4Å; L352-A354 VanDerWaalsContact C-N 3.3Å; L352-A354 PolarHBondContact O-N 2.64Å; A354-D357 PolarHBondContact O-N 2.84Å; A354-L358 WeakPolarHBondContact O-CB 3.46Å; A354-L358 PolarHBondContact O-N 2.9Å; A354-W621 HydrophobicContact CB-CB 4.05Å; A354-I624 HydrophobicContact CB-CB 4.06Å; A354-I624 HydrophobicContact CB-CD1 4.1Å; A354-I624 HydrophobicContact CB-CG2 3.87Å; A354-Y637 WeakPolarHBondContact CA-OH 3.48Å; A354-Y637 WeakPolarHBondContact CB-OH 3.16Å; A354-I643 HydrophobicContact CB-CD1 4.04Å
355	L	98.4	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.7	-39.4	177.8	-168.4	57.8	0	0	0	111.4	A341 A351 L352 L358 L359 L367 F547 L549 I624	A341-L355 HydrophobicContact CB-CD2 3.64Å; A341-L355 HydrophobicContact CB-CG 4.12Å; A351-L355 WeakPolarHBondContact O-CB 3.39Å; A351-L355 PolarHBondContact O-N 3.38Å; L352-L355 PolarHBondContact O-N 3.25Å; L355-L358 HydrophobicContact CD1-CD2 4.46Å; L355-L358 PolarHBondContact O-N 2.95Å; L355-L359 HydrophobicContact CD1-CD1 3.72Å; L355-L359 HydrophobicContact CG-CD1 4.18Å; L355-L359 WeakPolarHBondContact O-CD1 3.22Å; L355-L359 PolarHBondContact O-N 3.03Å; L355-L367 HydrophobicContact CG-CD2 4.28Å; L355-F547 HydrophobicContact CD1-CB 4.48Å; L355-F547 HydrophobicContact CD1-CD1 3.84Å; L355-F547 HydrophobicContact CD1-CD2 4.27Å; L355-F547 HydrophobicContact CD1-CE1 4.08Å; L355-F547 HydrophobicContact CD1-CE2 4.49Å; L355-F547 HydrophobicContact CD1-CG 3.93Å; L355-F547 HydrophobicContact CD1-CZ 4.4Å; L355-F547 HydrophobicContact CD2-CD1 3.83Å; L355-F547 HydrophobicContact CD2-CE1 4.32Å; L355-F547 HydrophobicContact CD2-CG 4.46Å; L355-L549 HydrophobicContact CB-CD2 4.46Å; L355-L549 HydrophobicContact CD2-CB 3.99Å; L355-L549 HydrophobicContact CD2-CD2 3.89Å; L355-I624 HydrophobicContact CB-CD1 4.07Å
356	K	98.4	Very high	97.4	Very high	39 Å²	39	24.8 Å²	24.8	17%	0.17	12%	0.121	C	C	.	.	H	α-helix	trans	-59.7	-51.5	174.8	174.4	171.3	-176.6	-174.9	0	111.4	L352 I353 L358 L359 N360 L367 L529 F531	L352-K356 WeakPolarHBondContact O-CB 3.23Å; L352-K356 PolarHBondContact O-N 3.36Å; I353-K356 HydrophobicContact CD1-CB 4.45Å; I353-K356 HydrophobicContact CD1-CD 4.25Å; I353-K356 PolarHBondContact O-N 3.37Å; K356-L358 VanDerWaalsContact C-N 3.31Å; K356-L358 PolarHBondContact O-N 3.45Å; K356-L359 PolarHBondContact O-N 2.74Å; K356-N360 WeakPolarHBondContact O-CB 3.43Å; K356-N360 PolarHBondContact O-N 3.11Å; K356-N360 PolarHBondContact O-ND2 2.75Å; K356-N360 VanDerWaalsContact O-ND2 3.12Å; K356-L367 HydrophobicContact CB-CD1 3.9Å; K356-L367 HydrophobicContact CB-CD2 4.36Å; K356-L367 HydrophobicContact CG-CD1 3.75Å; K356-L529 WeakPolarHBondContact CD-O 3.31Å; K356-L529 PolarHBondContact NZ-O 3.04Å; K356-F531 HydrophobicContact CB-CE2 3.85Å; K356-F531 HydrophobicContact CB-CZ 4.2Å; K356-F531 HydrophobicContact CD-CE2 4.26Å
357	D	98.2	Very high	97.4	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.053	12%	0.118	C	C	.	.	H	α-helix	trans	-64.3	-36.3	179.7	-75.7	-21.2	0	0	0	111.6	I353 A354 N360 R361 L635 R646	I353-D357 WeakPolarHBondContact O-CB 3.44Å; I353-D357 PolarHBondContact O-N 2.88Å; A354-D357 PolarHBondContact O-N 2.84Å; D357-N360 PolarHBondContact O-N 3.49Å; D357-R361 WeakPolarHBondContact O-CG 2.9Å; D357-R361 PolarHBondContact O-N 2.93Å; D357-L635 HydrophobicContact CB-CD2 3.77Å; D357-R646 IonicContact OD1-CZ 3.95Å; D357-R646 IonicContact OD1-NE 3.72Å; D357-R646 PolarHBondContact OD1-NE 2.96Å; D357-R646 IonicContact OD1-NH2 3.8Å; D357-R646 PolarHBondContact OD1-NH2 3.46Å; D357-R646 WeakPolarHBondContact OD2-CG 3.36Å; D357-R646 IonicContact OD2-CZ 2.7Å; D357-R646 IonicContact OD2-NE 3.6Å; D357-R646 PolarHBondContact OD2-NE 3.15Å; D357-R646 IonicContact OD2-NH2 3.79Å
358	L	97.8	Very high	97.3	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-61.3	-52.1	174.2	177.8	62	0	0	0	111.9	L331 A354 L355 K356 N360 R361 I624 I627 M633 L635	L331-L358 HydrophobicContact CD1-CD2 4.26Å; A354-L358 WeakPolarHBondContact O-CB 3.46Å; A354-L358 PolarHBondContact O-N 2.9Å; L355-L358 HydrophobicContact CD1-CD2 4.46Å; L355-L358 PolarHBondContact O-N 2.95Å; K356-L358 VanDerWaalsContact C-N 3.31Å; K356-L358 PolarHBondContact O-N 3.45Å; L358-N360 VanDerWaalsContact C-N 3.3Å; L358-N360 PolarHBondContact O-N 2.99Å; L358-R361 WeakPolarHBondContact O-CB 3.22Å; L358-R361 PolarHBondContact O-N 3.32Å; L358-R361 VanDerWaalsContact O-N 3.12Å; L358-I624 HydrophobicContact CB-CG2 4.12Å; L358-I624 HydrophobicContact CD2-CG2 3.78Å; L358-I627 HydrophobicContact CD2-CG2 4.13Å; L358-M633 HydrophobicContact CD1-CG 3.96Å; L358-M633 HydrophobicContact CD1-SD 3.58Å; L358-M633 VanDerWaalsContact CD1-SD 3.58Å; L358-L635 HydrophobicContact CB-CD1 4.29Å
359	L	97.1	Very high	97.3	Very high	3 Å²	3	24 Å²	24	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-66.3	-33.5	179.9	-93.4	67.3	0	0	0	112	V339 A341 L355 K356 R361 V362 N363 S364 L367	V339-L359 HydrophobicContact CG2-CG 4.4Å; A341-L359 HydrophobicContact CB-CD2 3.73Å; L355-L359 HydrophobicContact CD1-CD1 3.72Å; L355-L359 HydrophobicContact CG-CD1 4.18Å; L355-L359 WeakPolarHBondContact O-CD1 3.22Å; L355-L359 PolarHBondContact O-N 3.03Å; K356-L359 PolarHBondContact O-N 2.74Å; L359-R361 VanDerWaalsContact C-N 3.26Å; L359-R361 PolarHBondContact O-N 3.43Å; L359-V362 CarbonylContact O-C 3.39Å; L359-V362 WeakPolarHBondContact O-CA 3.25Å; L359-V362 PolarHBondContact O-N 3.48Å; L359-N363 PolarHBondContact O-N 3.23Å; L359-S364 CarbonylContact C-O 3.48Å; L359-S364 PolarHBondContact O-N 3.29Å; L359-L367 HydrophobicContact CB-CD2 4.36Å; L359-L367 HydrophobicContact CD2-CD2 3.85Å; L359-L367 HydrophobicContact CD2-CG 4.06Å
360	N	96.9	Very high	97.2	Very high	71 Å²	71	25 Å²	25	38%	0.38	12%	0.121	S	C	.	.	H	α-helix	trans	-60.8	-33.4	172.9	-72.5	-24.8	0	0	0	112.3	K356 D357 L358 V362 N363	K356-N360 WeakPolarHBondContact O-CB 3.43Å; K356-N360 PolarHBondContact O-N 3.11Å; K356-N360 PolarHBondContact O-ND2 2.75Å; K356-N360 VanDerWaalsContact O-ND2 3.12Å; D357-N360 PolarHBondContact O-N 3.49Å; L358-N360 VanDerWaalsContact C-N 3.3Å; L358-N360 PolarHBondContact O-N 2.99Å; N360-V362 PolarHBondContact O-N 2.57Å; N360-N363 PolarHBondContact O-N 2.92Å
361	R	96.3	Very high	97	Very high	137 Å²	137	25.2 Å²	25.2	52%	0.517	12%	0.122	S	C	.	.	H	α-helix	trans	-66.8	-26.1	174.1	-64.3	-55.7	-176.3	110.3	3.6	112.9	D357 L358 L359 N363 M633 L635	D357-R361 WeakPolarHBondContact O-CG 2.9Å; D357-R361 PolarHBondContact O-N 2.93Å; L358-R361 WeakPolarHBondContact O-CB 3.22Å; L358-R361 PolarHBondContact O-N 3.32Å; L358-R361 VanDerWaalsContact O-N 3.12Å; L359-R361 VanDerWaalsContact C-N 3.26Å; L359-R361 PolarHBondContact O-N 3.43Å; R361-N363 VanDerWaalsContact C-N 3.27Å; R361-M633 HydrophobicContact CB-CB 4.03Å; R361-M633 HydrophobicContact CB-CG 4.4Å; R361-M633 HydrophobicContact CB-SD 3.97Å; R361-M633 HydrophobicContact CG-CB 4.29Å; R361-L635 HydrophobicContact CG-CD2 4.3Å
362	V	95.2	Very high	96.9	Very high	10 Å²	10	27.4 Å²	27.4	6%	0.061	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	10.1	174.1	-171.7	0	0	0	0	111.2	V334 G336 V339 L359 N360 S364 M633	V334-V362 WeakPolarHBondContact O-CG1 3.33Å; G336-V362 PolarHBondContact N-O 3.32Å; V339-V362 HydrophobicContact CG1-CB 4.38Å; V339-V362 HydrophobicContact CG1-CG1 3.87Å; L359-V362 CarbonylContact O-C 3.39Å; L359-V362 WeakPolarHBondContact O-CA 3.25Å; L359-V362 PolarHBondContact O-N 3.48Å; N360-V362 PolarHBondContact O-N 2.57Å; V362-S364 PolarHBondContact O-N 3.18Å; V362-M633 HydrophobicContact CG2-CE 3.64Å; V362-M633 HydrophobicContact CG2-SD 3.57Å; V362-M633 VanDerWaalsContact CG2-SD 3.57Å
363	N	95.5	Very high	96.8	Very high	119 Å²	119	27.6 Å²	27.6	64%	0.636	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	28.6	-178.8	-162.9	28.9	0	0	0	113.8	G336 L359 N360 R361	G336-N363 WeakPolarHBondContact CA-O 3.38Å; L359-N363 PolarHBondContact O-N 3.23Å; N360-N363 PolarHBondContact O-N 2.92Å; R361-N363 VanDerWaalsContact C-N 3.27Å
364	S	95.4	Very high	96.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	14%	0.141	C	C	.	.			trans	-99.8	128	174.9	-178.8	0	0	0	0	111.4	G336 V339 L359 V362 M366	G336-S364 WeakPolarHBondContact O-CB 3.22Å; G336-S364 PolarHBondContact O-OG 3.46Å; V339-S364 VanDerWaalsContact CG1-CB 3.46Å; V339-S364 PolarHBondContact O-OG 2.9Å; L359-S364 CarbonylContact C-O 3.48Å; L359-S364 PolarHBondContact O-N 3.29Å; V362-S364 PolarHBondContact O-N 3.18Å; S364-M366 PolarHBondContact OG-N 3.41Å
365	D	94.3	Very high	96.1	Very high	97 Å²	97	32.6 Å²	32.6	52%	0.519	17%	0.167	S	C	.	.			trans	-104.2	12	172.6	73.5	-18.1	0	0	0	111.9	L367 K532	D365-L367 VanDerWaalsContact C-N 3.26Å; D365-L367 PolarHBondContact O-N 3.39Å; D365-L367 VanDerWaalsContact O-N 3.08Å; D365-K532 VanDerWaalsContact O-CE 3.28Å; D365-K532 WeakPolarHBondContact O-CE 3.23Å; D365-K532 PolarHBondContact O-NZ 2.67Å; D365-K532 IonicContact OD1-NZ 2.63Å; D365-K532 PolarHBondContact OD1-NZ 3.15Å; D365-K532 IonicContact OD2-NZ 2.68Å; D365-K532 PolarHBondContact OD2-NZ 3.27Å
366	M	95.3	Very high	95.5	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.039	19%	0.186	C	C	.	.			trans	-88.1	60.1	-175.5	-60.4	-159.1	-55.1	0	0	111.8	K337 V339 A340 A341 S364 P543	K337-M366 VanDerWaalsContact C-CE 3.46Å; K337-M366 HydrophobicContact CB-CE 4.41Å; K337-M366 WeakPolarHBondContact O-CE 3.39Å; V339-M366 WeakPolarHBondContact O-CE 3.26Å; A340-M366 CarbonylContact C-O 3.49Å; A340-M366 VanDerWaalsContact CA-O 3.32Å; A340-M366 WeakPolarHBondContact CA-O 3.27Å; A340-M366 HydrophobicContact CB-CB 3.8Å; A340-M366 HydrophobicContact CB-CE 3.83Å; A340-M366 WeakPolarHBondContact CB-O 3.49Å; A341-M366 PolarHBondContact N-O 2.89Å; S364-M366 PolarHBondContact OG-N 3.41Å; M366-P543 HydrophobicContact CE-CB 4.16Å
367	L	97.1	Very high	94.9	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	109.1	176	-68.7	145.4	0	0	0	108.8	A341 L355 K356 L359 D365 F531 K532	A341-L367 HydrophobicContact CB-CD2 4.04Å; L355-L367 HydrophobicContact CG-CD2 4.28Å; K356-L367 HydrophobicContact CB-CD1 3.9Å; K356-L367 HydrophobicContact CB-CD2 4.36Å; K356-L367 HydrophobicContact CG-CD1 3.75Å; L359-L367 HydrophobicContact CB-CD2 4.36Å; L359-L367 HydrophobicContact CD2-CD2 3.85Å; L359-L367 HydrophobicContact CD2-CG 4.06Å; D365-L367 VanDerWaalsContact C-N 3.26Å; D365-L367 PolarHBondContact O-N 3.39Å; D365-L367 VanDerWaalsContact O-N 3.08Å; L367-F531 HydrophobicContact CB-CD1 3.74Å; L367-F531 HydrophobicContact CB-CE1 3.81Å; L367-F531 HydrophobicContact CB-CG 4.1Å; L367-F531 HydrophobicContact CB-CZ 4.23Å; L367-F531 HydrophobicContact CD2-CE1 3.76Å; L367-F531 HydrophobicContact CD2-CE2 4.47Å; L367-F531 HydrophobicContact CD2-CZ 3.7Å; L367-F531 HydrophobicContact CG-CE1 4.38Å; L367-F531 HydrophobicContact CG-CZ 4.45Å; L367-K532 WeakPolarHBondContact O-CB 3.22Å; L367-K532 PolarHBondContact O-N 2.8Å
368	C	97.6	Very high	94.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	156.8	-176.3	-61.7	0	0	0	0	112.1	A341 I342 A343 K532 G534 I538	A341-C368 PolarHBondContact O-N 2.7Å; I342-C368 CarbonylContact C-O 3.57Å; I342-C368 WeakPolarHBondContact CA-O 3.48Å; I342-C368 HydrophobicContact CG1-CB 4.4Å; A343-C368 PolarHBondContact N-O 2.92Å; C368-K532 CarbonylContact C-O 3.48Å; C368-K532 WeakPolarHBondContact CA-O 3.42Å; C368-G534 WeakPolarHBondContact CB-O 2.96Å; C368-I538 HydrophobicContact CB-CD1 3.81Å
369	T	98	Very high	93.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	162.8	165.5	67.5	0	0	0	0	110.8	E371 Q523 A526 F531 K532 P533 G534	T369-E371 PolarHBondContact OG1-O 2.8Å; T369-Q523 PolarHBondContact OG1-OE1 3.44Å; T369-Q523 VanDerWaalsContact OG1-OE1 3.08Å; T369-A526 HydrophobicContact CG2-CB 3.56Å; T369-F531 HydrophobicContact CG2-CB 4Å; T369-F531 HydrophobicContact CG2-CD1 4.31Å; T369-K532 PolarHBondContact N-O 3.24Å; T369-K532 VanDerWaalsContact N-O 3.16Å; T369-P533 WeakPolarHBondContact OG1-CA 3.48Å; T369-G534 CarbonylContact O-C 3.53Å; T369-G534 VanDerWaalsContact O-CA 3.24Å; T369-G534 WeakPolarHBondContact O-CA 3.49Å; T369-G534 PolarHBondContact O-N 2.9Å; T369-G534 PolarHBondContact OG1-N 3.48Å
370	E	96.1	Very high	93.6	Very high	21 Å²	21	35.8 Å²	35.8	10%	0.098	20%	0.204	C	C	.	.	S	Bend	trans	-67	-37.2	174.8	-70.1	-172.5	138.3	0	0	113.1	I342 A343 G344 G345 A551 D552 S553 C555	I342-E370 HydrophobicContact CG2-CG 3.87Å; A343-E370 PolarHBondContact O-N 3.2Å; A343-E370 VanDerWaalsContact O-N 3.15Å; G344-E370 WeakPolarHBondContact CA-OE2 3.42Å; G345-E370 PolarHBondContact N-OE2 2.67Å; E370-A551 HydrophobicContact CG-CB 4.17Å; E370-A551 WeakPolarHBondContact OE1-CA 3.33Å; E370-A551 WeakPolarHBondContact OE1-CB 3.3Å; E370-D552 PolarHBondContact OE1-N 2.93Å; E370-S553 WeakPolarHBondContact OE1-CB 3.46Å; E370-S553 PolarHBondContact OE1-N 3.21Å; E370-S553 PolarHBondContact OE1-OG 3.28Å; E370-S553 WeakPolarHBondContact OE2-CB 3.3Å; E370-S553 PolarHBondContact OE2-OG 2.7Å; E370-C555 PolarHBondContact O-SG 2.81Å; E370-C555 VanDerWaalsContact O-SG 3.35Å
371	E	95.4	Very high	93.5	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.023	22%	0.222	C	C	.	.	S	Bend	trans	-91.1	123.3	-178.2	-169.4	171.3	-140.8	0	0	111.1	T369 S479 R519 V520 Q523 G534	T369-E371 PolarHBondContact OG1-O 2.8Å; E371-S479 WeakPolarHBondContact OE1-CB 3.25Å; E371-S479 PolarHBondContact OE1-OG 2.68Å; E371-R519 IonicContact OE1-CZ 3.11Å; E371-R519 IonicContact OE1-NE 3.48Å; E371-R519 PolarHBondContact OE1-NE 3.29Å; E371-R519 IonicContact OE1-NH2 2.74Å; E371-V520 HydrophobicContact CB-CG2 4.36Å; E371-V520 WeakPolarHBondContact OE2-CG2 3.38Å; E371-Q523 PolarHBondContact O-NE2 3.09Å; E371-G534 PolarHBondContact O-N 3.12Å
372	V	95.9	Very high	93.4	Very high	46 Å²	46	34.3 Å²	34.3	28%	0.279	21%	0.206	S	C	.	.			trans	-70.3	141.7	178	-174.6	0	0	0	0	109.7	Q483	V372-Q483 PolarHBondContact O-NE2 3.08Å
373	F	96.1	Very high	93.4	Very high	4 Å²	4	36 Å²	36	2%	0.018	21%	0.211	C	C	.	.			trans	-138.1	136.2	167.3	176.6	-92	0	0	0	107.7	T375 T380 N385 L482 H491 I516 P533	F373-T375 PolarHBondContact O-N 3.16Å; F373-T375 VanDerWaalsContact O-N 3.15Å; F373-T380 HydrophobicContact CD1-CG2 4.16Å; F373-N385 WeakPolarHBondContact CZ-O 3.28Å; F373-L482 HydrophobicContact CD2-CD1 3.89Å; F373-L482 HydrophobicContact CE2-CD1 3.81Å; F373-H491 AromaticContact CZ-NE2 3.79Å; F373-I516 HydrophobicContact CE2-CD1 4.06Å; F373-P533 HydrophobicContact CB-CB 3.59Å; F373-P533 HydrophobicContact CB-CG 3.68Å; F373-P533 HydrophobicContact CD1-CG 4.32Å; F373-P533 VanDerWaalsContact O-CG 3.31Å; F373-P533 WeakPolarHBondContact O-CG 3.46Å
374	P	92.8	Very high	93.4	Very high	14 Å²	14	30.4 Å²	30.4	9%	0.091	18%	0.182	C	C	.	.			trans	-63.9	118.8	-176.3	24	-34.1	0	0	0	111.2	L482 A488 H491	P374-L482 HydrophobicContact CG-CD2 4.45Å; P374-A488 VanDerWaalsContact CB-CA 3.49Å; P374-A488 HydrophobicContact CB-CB 3.57Å; P374-H491 HydrophobicContact CG-CB 3.85Å
375	T	89.6	Confident	93.4	Very high	90 Å²	90	30.6 Å²	30.6	55%	0.552	18%	0.182	S	C	*	.			trans	-90.6	-4.8	178.3	53	0	0	0	0	113.5	F373 P533	F373-T375 PolarHBondContact O-N 3.16Å; F373-T375 VanDerWaalsContact O-N 3.15Å; T375-P533 HydrophobicContact CG2-CG 3.68Å
376	A	86.4	Confident	93.5	Very high	48 Å²	48	26.1 Å²	26.1	40%	0.397	16%	0.158	S	C	.	.	S	Bend	trans	-71.6	138.4	177.5	0	0	0	0	0	111.2	A488 V676	A376-A488 HydrophobicContact CB-CB 4.03Å; A376-V676 HydrophobicContact CB-CG1 4.27Å; A376-V676 HydrophobicContact CB-CG2 3.82Å
377	G	85.8	Confident	93.6	Very high	36 Å²	36	25.8 Å²	25.8	37%	0.371	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-127.2	-174.9	0	0	0	0	0	111.4	G379 L672	G377-G379 VanDerWaalsContact C-N 3.3Å; G377-L672 WeakPolarHBondContact CA-O 3.42Å
378	A	82.6	Confident	93.6	Very high	2 Å²	2	25.4 Å²	25.4	2%	0.017	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-15.1	177.5	0	0	0	0	0	113.7	T380 D381 L382 N385 A669 L672	A378-T380 PolarHBondContact O-N 3.28Å; A378-D381 WeakPolarHBondContact O-CB 3.42Å; A378-D381 PolarHBondContact O-N 3.43Å; A378-L382 HydrophobicContact CB-CD1 3.93Å; A378-L382 HydrophobicContact CB-CG 4.26Å; A378-N385 WeakPolarHBondContact CB-ND2 3.19Å; A378-A669 HydrophobicContact CB-CB 4.17Å; A378-L672 HydrophobicContact CB-CB 4.17Å; A378-L672 HydrophobicContact CB-CD1 3.74Å
379	G	90.3	Very high	93.6	Very high	6 Å²	6	26.4 Å²	26.4	6%	0.062	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	-125.5	178.3	0	0	0	0	0	113	G377	G377-G379 VanDerWaalsContact C-N 3.3Å
380	T	93.9	Very high	93.5	Very high	28 Å²	28	26.9 Å²	26.9	17%	0.172	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	1.4	-178.3	58.3	0	0	0	0	113.3	F373 A378 L382 L527 P533	F373-T380 HydrophobicContact CD1-CG2 4.16Å; A378-T380 PolarHBondContact O-N 3.28Å; T380-L382 VanDerWaalsContact C-N 3.31Å; T380-L382 PolarHBondContact O-N 2.92Å; T380-L527 HydrophobicContact CG2-CD2 3.71Å; T380-P533 HydrophobicContact CG2-CG 4.1Å
381	D	93.5	Very high	93.5	Very high	142 Å²	142	29.8 Å²	29.8	76%	0.759	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-31.6	-177.2	-63	-19.7	0	0	0	111.7	A378	A378-D381 WeakPolarHBondContact O-CB 3.42Å; A378-D381 PolarHBondContact O-N 3.43Å
382	L	95.2	Very high	93.6	Very high	35 Å²	35	29.5 Å²	29.5	18%	0.183	17%	0.174	C	C	.	.			trans	-110.1	113.9	179.2	-61.5	-178.8	0	0	0	110.4	A378 T380 S384 N385 Y665 Q668 A669	A378-L382 HydrophobicContact CB-CD1 3.93Å; A378-L382 HydrophobicContact CB-CG 4.26Å; T380-L382 VanDerWaalsContact C-N 3.31Å; T380-L382 PolarHBondContact O-N 2.92Å; L382-S384 PolarHBondContact O-N 2.98Å; L382-S384 VanDerWaalsContact O-N 3.13Å; L382-N385 WeakPolarHBondContact O-CB 3.42Å; L382-N385 PolarHBondContact O-N 3.45Å; L382-Y665 HydrophobicContact CD2-CD2 4.11Å; L382-Q668 HydrophobicContact CD1-CB 4.34Å; L382-A669 HydrophobicContact CD1-CB 3.61Å
383	R	95.5	Very high	93.7	Very high	46 Å²	46	28.6 Å²	28.6	17%	0.174	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-54.8	-33.8	178.5	-55.8	-169.3	63.6	-130.7	3.6	113.7	N385 Y386 L387 D528 G602 N653 A663	R383-N385 PolarHBondContact O-N 2.78Å; R383-Y386 HydrophobicContact CB-CE1 4.49Å; R383-Y386 HydrophobicContact CB-CE2 4.46Å; R383-Y386 WeakPolarHBondContact CG-OH 3.41Å; R383-Y386 PolarHBondContact O-N 2.79Å; R383-L387 HydrophobicContact CB-CD1 4.03Å; R383-L387 WeakPolarHBondContact O-CG 3.41Å; R383-L387 PolarHBondContact O-N 2.63Å; R383-D528 IonicContact CZ-OD1 3.05Å; R383-D528 IonicContact CZ-OD2 3.35Å; R383-D528 IonicContact NE-OD1 3.55Å; R383-D528 PolarHBondContact NE-OD1 2.8Å; R383-D528 IonicContact NE-OD2 2.72Å; R383-D528 PolarHBondContact NE-OD2 3.23Å; R383-D528 IonicContact NH2-OD1 3.55Å; R383-D528 IonicContact NH2-OD2 3.73Å; R383-D528 PolarHBondContact NH2-OD2 2.91Å; R383-G602 PolarHBondContact NH2-O 3.48Å; R383-N653 PolarHBondContact NE-ND2 3.48Å; R383-N653 PolarHBondContact NH2-ND2 3Å; R383-A663 HydrophobicContact CB-CB 4.07Å
384	S	94.8	Very high	93.7	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.014	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-60.3	-21.4	-179.3	48.5	0	0	0	0	113.2	L382 Y386 N389 N664	L382-S384 PolarHBondContact O-N 2.98Å; L382-S384 VanDerWaalsContact O-N 3.13Å; S384-Y386 VanDerWaalsContact C-N 3.34Å; S384-N389 WeakPolarHBondContact CA-OD1 3.29Å; S384-N389 PolarHBondContact O-ND2 2.86Å; S384-N664 WeakPolarHBondContact CB-O 3.11Å; S384-N664 PolarHBondContact OG-O 2.94Å
385	N	94.5	Very high	93.9	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-80.5	-8.7	178.6	-90.4	-1	0	0	0	115.3	F373 A378 L382 R383 H491 I516 A669	F373-N385 WeakPolarHBondContact CZ-O 3.28Å; A378-N385 WeakPolarHBondContact CB-ND2 3.19Å; L382-N385 WeakPolarHBondContact O-CB 3.42Å; L382-N385 PolarHBondContact O-N 3.45Å; R383-N385 PolarHBondContact O-N 2.78Å; N385-H491 PolarHBondContact O-NE2 2.99Å; N385-I516 WeakPolarHBondContact O-CD1 3.47Å; N385-A669 WeakPolarHBondContact OD1-CB 3.38Å
386	Y	96.4	Very high	94.3	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.012	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.6	10.5	-178.4	60	-103.1	0	0	0	113.9	R383 S384 H518 V524 L527 D528	R383-Y386 HydrophobicContact CB-CE1 4.49Å; R383-Y386 HydrophobicContact CB-CE2 4.46Å; R383-Y386 WeakPolarHBondContact CG-OH 3.41Å; R383-Y386 PolarHBondContact O-N 2.79Å; S384-Y386 VanDerWaalsContact C-N 3.34Å; Y386-H518 PolarHBondContact O-CD2 3.15Å; Y386-H518 VanDerWaalsContact O-CD2 3.25Å; Y386-H518 PolarHBondContact O-NE2 2.77Å; Y386-V524 HydrophobicContact CD2-CG1 4.49Å; Y386-V524 HydrophobicContact CE2-CG1 4.23Å; Y386-L527 HydrophobicContact CD1-CD1 4.13Å; Y386-L527 HydrophobicContact CD2-CB 4.15Å; Y386-L527 HydrophobicContact CD2-CD1 3.66Å; Y386-L527 HydrophobicContact CE1-CB 4.18Å; Y386-L527 HydrophobicContact CE2-CB 3.8Å; Y386-L527 HydrophobicContact CE2-CD1 4.21Å; Y386-L527 HydrophobicContact CG-CB 4.48Å; Y386-L527 HydrophobicContact CG-CD1 3.61Å; Y386-D528 WeakPolarHBondContact CE2-OD1 3.46Å; Y386-D528 PolarHBondContact OH-OD1 2.87Å
387	L	98.1	Very high	94.8	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	16%	0.164	C	C	.	.	S	Bend	trans	-102.8	160.2	176.4	-65.6	179.2	0	0	0	112.7	R383 N389 N515 I516 V524 A663	R383-L387 HydrophobicContact CB-CD1 4.03Å; R383-L387 WeakPolarHBondContact O-CG 3.41Å; R383-L387 PolarHBondContact O-N 2.63Å; L387-N389 PolarHBondContact O-N 3.46Å; L387-N389 VanDerWaalsContact O-N 3.12Å; L387-N389 PolarHBondContact O-ND2 2.75Å; L387-N389 VanDerWaalsContact O-ND2 3.14Å; L387-N515 WeakPolarHBondContact O-CA 3.38Å; L387-I516 PolarHBondContact O-N 2.88Å; L387-V524 HydrophobicContact CD2-CG1 3.5Å; L387-V524 VanDerWaalsContact CD2-CG1 3.5Å; L387-A663 HydrophobicContact CD1-CB 4.08Å
388	L	97.9	Very high	95.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-78.5	75.2	157.4	-178.3	63.9	0	0	0	108.1	T390 K391 I392 F415 M474 V476 N515 I516 T600 E601	L388-T390 VanDerWaalsContact C-N 3.26Å; L388-T390 PolarHBondContact O-N 2.92Å; L388-K391 PolarHBondContact O-N 2.59Å; L388-I392 HydrophobicContact CD2-CG1 3.68Å; L388-F415 HydrophobicContact CD1-CE2 4.02Å; L388-F415 HydrophobicContact CD1-CZ 4.17Å; L388-F415 HydrophobicContact CD2-CD2 3.92Å; L388-F415 HydrophobicContact CD2-CE2 3.76Å; L388-M474 HydrophobicContact CD1-CE 3.68Å; L388-V476 HydrophobicContact CD1-CG2 4.49Å; L388-N515 VanDerWaalsContact C-OD1 3.3Å; L388-N515 HydrophobicContact CD1-CB 3.61Å; L388-I516 PolarHBondContact N-O 3Å; L388-T600 HydrophobicContact CB-CG2 4.11Å; L388-T600 WeakPolarHBondContact CB-O 3.42Å; L388-T600 HydrophobicContact CD2-CG2 3.84Å; L388-T600 PolarHBondContact N-O 2.98Å; L388-E601 HydrophobicContact CB-CB 4.23Å
389	N	96.8	Very high	95.9	Very high	20 Å²	20	30.8 Å²	30.8	11%	0.107	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.5	-172.7	-62.5	-70.2	0	0	0	115.1	S384 L387 K391 K512 M514 N515 F666	S384-N389 WeakPolarHBondContact CA-OD1 3.29Å; S384-N389 PolarHBondContact O-ND2 2.86Å; L387-N389 PolarHBondContact O-N 3.46Å; L387-N389 VanDerWaalsContact O-N 3.12Å; L387-N389 PolarHBondContact O-ND2 2.75Å; L387-N389 VanDerWaalsContact O-ND2 3.14Å; N389-K391 PolarHBondContact O-N 2.94Å; N389-K512 HydrophobicContact CB-CB 3.63Å; N389-K512 HydrophobicContact CB-CG 4.03Å; N389-M514 PolarHBondContact ND2-O 3.13Å; N389-N515 WeakPolarHBondContact CA-OD1 3.36Å; N389-N515 PolarHBondContact N-OD1 2.95Å; N389-F666 HydrophobicContact CB-CE1 4.24Å; N389-F666 HydrophobicContact CB-CZ 3.88Å; N389-F666 WeakPolarHBondContact ND2-CE1 3.4Å
390	T	95.3	Very high	96.2	Very high	11 Å²	11	31.2 Å²	31.2	7%	0.067	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.3	175.6	49.2	0	0	0	0	113.6	L388 G394 M474 W511 K512 N515	L388-T390 VanDerWaalsContact C-N 3.26Å; L388-T390 PolarHBondContact O-N 2.92Å; T390-G394 WeakPolarHBondContact O-CA 3.24Å; T390-M474 HydrophobicContact CG2-CG 4.22Å; T390-M474 HydrophobicContact CG2-SD 4.27Å; T390-M474 WeakPolarHBondContact OG1-CE 3.46Å; T390-W511 HydrophobicContact CG2-CH2 4.45Å; T390-W511 HydrophobicContact CG2-CZ2 4.07Å; T390-K512 HydrophobicContact CG2-CB 4.47Å; T390-K512 WeakPolarHBondContact CG2-O 3.28Å; T390-N515 WeakPolarHBondContact CG2-ND2 3.39Å; T390-N515 PolarHBondContact N-OD1 2.86Å; T390-N515 PolarHBondContact OG1-ND2 3.35Å; T390-N515 PolarHBondContact OG1-OD1 2.88Å; T390-N515 VanDerWaalsContact OG1-OD1 3.13Å
391	K	97.1	Very high	96.4	Very high	81 Å²	81	29.9 Å²	29.9	35%	0.352	15%	0.153	S	C	.	.			trans	67.5	162.7	-166.4	-48	176	-175.4	-178.1	0	112.2	L388 N389 G394 E601 V660	L388-K391 PolarHBondContact O-N 2.59Å; N389-K391 PolarHBondContact O-N 2.94Å; K391-G394 PolarHBondContact O-N 3.17Å; K391-E601 VanDerWaalsContact CA-OE2 3.28Å; K391-E601 WeakPolarHBondContact CA-OE2 3.38Å; K391-E601 WeakPolarHBondContact CB-OE2 3.39Å; K391-V660 HydrophobicContact CD-CB 4.39Å; K391-V660 HydrophobicContact CD-CG1 4.37Å; K391-V660 HydrophobicContact CD-CG2 4.45Å; K391-V660 HydrophobicContact CG-CG1 4.18Å
392	I	98.1	Very high	96.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-68.3	-48.1	176.6	-63.7	168.4	0	0	0	109.9	V258 D281 I282 L388 G394 V395 F415 R418 E601	V258-I392 HydrophobicContact CG1-CD1 3.94Å; D281-I392 WeakPolarHBondContact O-CB 3.27Å; I282-I392 HydrophobicContact CG2-CD1 4.11Å; L388-I392 HydrophobicContact CD2-CG1 3.68Å; I392-G394 PolarHBondContact O-N 3.38Å; I392-V395 WeakPolarHBondContact O-CB 2.96Å; I392-V395 VanDerWaalsContact O-CG2 3.25Å; I392-V395 WeakPolarHBondContact O-CG2 3.13Å; I392-V395 PolarHBondContact O-N 3.37Å; I392-F415 HydrophobicContact CG1-CD2 4.34Å; I392-F415 HydrophobicContact CG2-CD2 4.45Å; I392-R418 HydrophobicContact CG2-CB 4.27Å; I392-R418 HydrophobicContact CG2-CG 4.24Å; I392-R418 WeakPolarHBondContact O-CG 3.47Å; I392-E601 PolarHBondContact N-OE2 2.84Å
393	A	97.1	Very high	96.9	Very high	27 Å²	27	21.4 Å²	21.4	22%	0.223	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-60.2	-29.3	175.6	0	0	0	0	0	113.9	D281 V395 E396	D281-A393 HydrophobicContact CB-CB 4.45Å; D281-A393 PolarHBondContact O-N 3.44Å; A393-V395 PolarHBondContact O-N 2.9Å; A393-V395 VanDerWaalsContact O-N 3.15Å; A393-E396 PolarHBondContact O-N 2.94Å; A393-E396 VanDerWaalsContact O-N 3.14Å
394	G	96.4	Very high	97	Very high	9 Å²	9	19.2 Å²	19.2	9%	0.093	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-63.5	-18.8	179	0	0	0	0	0	113.9	T390 K391 I392 E396 E397 A398 W511	T390-G394 WeakPolarHBondContact O-CA 3.24Å; K391-G394 PolarHBondContact O-N 3.17Å; I392-G394 PolarHBondContact O-N 3.38Å; G394-E396 PolarHBondContact O-N 3.19Å; G394-E396 VanDerWaalsContact O-N 3.17Å; G394-E397 PolarHBondContact O-N 2.95Å; G394-A398 PolarHBondContact O-N 2.91Å; G394-W511 VanDerWaalsContact O-CH2 3.31Å; G394-W511 WeakPolarHBondContact O-CH2 3.48Å
395	V	97.5	Very high	97.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-56.1	-32.5	173.9	179.3	0	0	0	0	111.6	I392 A393 E397 A398 F415 R418 I419 S422 L428 M474	I392-V395 WeakPolarHBondContact O-CB 2.96Å; I392-V395 VanDerWaalsContact O-CG2 3.25Å; I392-V395 WeakPolarHBondContact O-CG2 3.13Å; I392-V395 PolarHBondContact O-N 3.37Å; A393-V395 PolarHBondContact O-N 2.9Å; A393-V395 VanDerWaalsContact O-N 3.15Å; V395-E397 PolarHBondContact O-N 3.46Å; V395-A398 PolarHBondContact O-N 3.37Å; V395-F415 HydrophobicContact CG2-CD2 4.15Å; V395-F415 HydrophobicContact CG2-CE2 3.41Å; V395-F415 VanDerWaalsContact CG2-CE2 3.41Å; V395-F415 HydrophobicContact CG2-CZ 4.1Å; V395-R418 HydrophobicContact CB-CG 4Å; V395-R418 HydrophobicContact CG1-CG 4.44Å; V395-I419 HydrophobicContact CG1-CB 4.47Å; V395-I419 HydrophobicContact CG1-CG1 3.94Å; V395-S422 PolarHBondContact O-OG 3.4Å; V395-L428 HydrophobicContact CG1-CD2 4.33Å; V395-M474 HydrophobicContact CG2-CE 3.79Å; V395-M474 HydrophobicContact CG2-SD 3.97Å
396	E	96.9	Very high	97.2	Very high	61 Å²	61	19.1 Å²	19.1	29%	0.285	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-66.9	-19.6	178.2	-61.8	-174.4	-158.9	0	0	113.2	A393 G394 R418 K421 S422 N426	A393-E396 PolarHBondContact O-N 2.94Å; A393-E396 VanDerWaalsContact O-N 3.14Å; G394-E396 PolarHBondContact O-N 3.19Å; G394-E396 VanDerWaalsContact O-N 3.17Å; E396-R418 HydrophobicContact CG-CG 4.4Å; E396-R418 WeakPolarHBondContact OE1-CD 3.46Å; E396-R418 IonicContact OE1-CZ 2.74Å; E396-R418 IonicContact OE1-NE 3.27Å; E396-R418 IonicContact OE1-NH1 3.56Å; E396-R418 PolarHBondContact OE1-NH1 2.69Å; E396-K421 IonicContact OE1-NZ 3.81Å; E396-K421 PolarHBondContact OE1-NZ 3.21Å; E396-K421 IonicContact OE2-NZ 3.8Å; E396-K421 PolarHBondContact OE2-NZ 2.89Å; E396-S422 VanDerWaalsContact CA-OG 3.31Å; E396-S422 WeakPolarHBondContact CA-OG 3.36Å; E396-S422 PolarHBondContact N-OG 3.03Å; E396-N426 PolarHBondContact O-ND2 2.63Å
397	E	96.6	Very high	97.3	Very high	113 Å²	113	19 Å²	19	53%	0.528	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-94.6	-12.7	176.9	-62.1	-172.5	-158.9	0	0	113.6	G394 V395 K472 W511	G394-E397 PolarHBondContact O-N 2.95Å; V395-E397 PolarHBondContact O-N 3.46Å; E397-K472 HydrophobicContact CB-CD 4.14Å; E397-K472 WeakPolarHBondContact O-CD 3.47Å; E397-K472 IonicContact OE2-NZ 2.66Å; E397-K472 PolarHBondContact OE2-NZ 3.29Å; E397-W511 HydrophobicContact CB-CH2 3.95Å; E397-W511 HydrophobicContact CB-CZ3 3.82Å
398	A	96.7	Very high	97.3	Very high	5 Å²	5	18.9 Å²	18.9	4%	0.041	10%	0.099	C	C	.	.			trans	-71.7	146.3	-179.5	0	0	0	0	0	111.1	G394 V395 L428 K472 M474 W511	G394-A398 PolarHBondContact O-N 2.91Å; V395-A398 PolarHBondContact O-N 3.37Å; A398-L428 HydrophobicContact CB-CD1 4.1Å; A398-L428 WeakPolarHBondContact O-CD1 3.44Å; A398-K472 WeakPolarHBondContact CA-O 3.4Å; A398-M474 HydrophobicContact CB-CB 4.04Å; A398-M474 HydrophobicContact CB-SD 4.34Å; A398-W511 HydrophobicContact CB-CH2 4.26Å; A398-W511 HydrophobicContact CB-CZ2 4.01Å
399	D	95.8	Very high	97.3	Very high	51 Å²	51	19.5 Å²	19.5	27%	0.273	10%	0.101	S	C	.	.	S	Bend	trans	-104.9	-33.5	175.2	58.7	-10.9	0	0	0	112.9	Q429 K471 K472	D399-Q429 PolarHBondContact O-N 3.14Å; D399-K471 WeakPolarHBondContact OD2-CA 3.46Å; D399-K471 WeakPolarHBondContact OD2-CB 3.36Å; D399-K471 PolarHBondContact OD2-N 3.44Å; D399-K472 PolarHBondContact N-O 3.34Å; D399-K472 WeakPolarHBondContact OD1-CA 3.39Å; D399-K472 PolarHBondContact OD1-N 3.12Å; D399-K472 PolarHBondContact OD2-N 2.89Å
400	I	97.3	Very high	97.4	Very high	15 Å²	15	19 Å²	19	8%	0.077	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.7	173.7	-70.3	156.9	0	0	0	109.9	Q429 F463 V466 L467 A470 M474	I400-Q429 WeakPolarHBondContact CA-O 3.26Å; I400-Q429 HydrophobicContact CG1-CB 4.2Å; I400-F463 HydrophobicContact CG2-CE1 4.39Å; I400-F463 HydrophobicContact CG2-CZ 3.71Å; I400-V466 HydrophobicContact CD1-CG1 3.48Å; I400-V466 VanDerWaalsContact CD1-CG1 3.48Å; I400-V466 WeakPolarHBondContact CD1-O 3.41Å; I400-V466 HydrophobicContact CG1-CG1 4.21Å; I400-L467 HydrophobicContact CG2-CD2 3.79Å; I400-A470 HydrophobicContact CB-CB 4.2Å; I400-A470 HydrophobicContact CD1-CB 3.51Å; I400-A470 HydrophobicContact CG1-CB 4.31Å; I400-M474 PolarHBondContact O-N 3.14Å
401	L	98.3	Very high	97.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.2	177.1	175.8	63.4	0	0	0	111.2	L403 I419 L428 Q429 V430 A431 M474 V476	L401-L403 HydrophobicContact CD1-CD2 4.3Å; L401-L403 HydrophobicContact CD2-CD2 4.09Å; L401-L403 HydrophobicContact CD2-CG 4.28Å; L401-L403 HydrophobicContact CG-CD2 4.2Å; L401-L403 HydrophobicContact CG-CG 4.23Å; L401-I419 HydrophobicContact CD2-CB 4.38Å; L401-I419 HydrophobicContact CD2-CD1 3.69Å; L401-I419 HydrophobicContact CD2-CG1 3.69Å; L401-I419 HydrophobicContact CD2-CG2 3.75Å; L401-L428 HydrophobicContact CB-CD1 4.08Å; L401-L428 HydrophobicContact CB-CD2 4.23Å; L401-L428 HydrophobicContact CB-CG 4.38Å; L401-L428 HydrophobicContact CD2-CD2 4.24Å; L401-Q429 PolarHBondContact N-O 3.33Å; L401-V430 HydrophobicContact CB-CG2 4.41Å; L401-V430 HydrophobicContact CD2-CG1 4.27Å; L401-V430 HydrophobicContact CD2-CG2 4.37Å; L401-V430 HydrophobicContact CG-CG1 4.42Å; L401-V430 CarbonylContact O-C 3.33Å; L401-V430 WeakPolarHBondContact O-CA 3.43Å; L401-A431 PolarHBondContact O-N 3.32Å; L401-M474 CarbonylContact C-O 3.49Å; L401-M474 WeakPolarHBondContact CA-O 3.42Å; L401-M474 HydrophobicContact CD1-CB 3.91Å; L401-M474 HydrophobicContact CD1-CE 4.41Å; L401-M474 HydrophobicContact CD1-CG 3.66Å; L401-M474 HydrophobicContact CD1-SD 3.99Å; L401-V476 HydrophobicContact CD1-CB 4.45Å; L401-V476 HydrophobicContact CD1-CG2 3.68Å
402	L	98.5	Very high	97.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.1	170.6	179.2	61.4	0	0	0	110.2	I404 A431 V433 L446 I456 F463 L467 M474 V475 V476 I497	L402-I404 HydrophobicContact CD2-CD1 3.97Å; L402-I404 HydrophobicContact CD2-CG1 4.27Å; L402-I404 HydrophobicContact CG-CD1 4.15Å; L402-I404 HydrophobicContact CG-CG1 3.96Å; L402-A431 HydrophobicContact CD1-CB 4.11Å; L402-V433 HydrophobicContact CD1-CG2 3.99Å; L402-L446 HydrophobicContact CD1-CD1 4.05Å; L402-I456 HydrophobicContact CD2-CD1 4.34Å; L402-F463 HydrophobicContact CB-CE1 4.15Å; L402-F463 HydrophobicContact CD1-CD1 4.35Å; L402-F463 HydrophobicContact CD1-CE1 3.92Å; L402-F463 HydrophobicContact CD2-CE1 4.42Å; L402-F463 HydrophobicContact CG-CE1 4.38Å; L402-L467 HydrophobicContact CD2-CD1 4.11Å; L402-M474 PolarHBondContact N-O 3.22Å; L402-V475 HydrophobicContact CB-CG2 4.38Å; L402-V475 HydrophobicContact CD2-CG1 4.29Å; L402-V476 PolarHBondContact O-N 3.29Å; L402-I497 HydrophobicContact CD2-CG2 4.35Å
403	L	98.6	Very high	97.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	132.6	173.1	-63	173.3	0	0	0	110.1	L401 T406 P408 I419 V430 A431 L432 V433 L439 V476	L401-L403 HydrophobicContact CD1-CD2 4.3Å; L401-L403 HydrophobicContact CD2-CD2 4.09Å; L401-L403 HydrophobicContact CD2-CG 4.28Å; L401-L403 HydrophobicContact CG-CD2 4.2Å; L401-L403 HydrophobicContact CG-CG 4.23Å; L403-T406 HydrophobicContact CB-CG2 4.15Å; L403-T406 HydrophobicContact CD2-CG2 4.21Å; L403-P408 HydrophobicContact CD1-CG 4Å; L403-P408 HydrophobicContact CD2-CG 4.45Å; L403-I419 HydrophobicContact CD2-CD1 4.3Å; L403-V430 HydrophobicContact CD1-CG1 3.84Å; L403-V430 HydrophobicContact CG-CG1 4.25Å; L403-A431 PolarHBondContact N-O 3.28Å; L403-L432 HydrophobicContact CB-CD1 3.69Å; L403-L432 WeakPolarHBondContact O-CA 3.34Å; L403-V433 PolarHBondContact O-N 3.48Å; L403-L439 HydrophobicContact CD1-CD1 3.88Å; L403-V476 CarbonylContact C-O 3.58Å; L403-V476 WeakPolarHBondContact CA-O 3.31Å; L403-V476 HydrophobicContact CD2-CB 4.07Å; L403-V476 HydrophobicContact CD2-CG1 4.37Å
404	I	98.4	Very high	97.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	114	-176.2	-58	169.2	0	0	0	110	L402 T406 L453 V475 V476 V477 G478 V494 L685	L402-I404 HydrophobicContact CD2-CD1 3.97Å; L402-I404 HydrophobicContact CD2-CG1 4.27Å; L402-I404 HydrophobicContact CG-CD1 4.15Å; L402-I404 HydrophobicContact CG-CG1 3.96Å; I404-T406 PolarHBondContact O-N 3.28Å; I404-T406 VanDerWaalsContact O-N 3.16Å; I404-L453 HydrophobicContact CD1-CD2 3.85Å; I404-L453 HydrophobicContact CG1-CD2 4.1Å; I404-L453 HydrophobicContact CG2-CD1 4.02Å; I404-L453 HydrophobicContact CG2-CD2 3.81Å; I404-V475 HydrophobicContact CD1-CG1 3.78Å; I404-V476 PolarHBondContact N-O 3.47Å; I404-V477 HydrophobicContact CB-CB 4.18Å; I404-V477 HydrophobicContact CB-CG2 4.19Å; I404-V477 HydrophobicContact CG2-CG2 4.09Å; I404-G478 PolarHBondContact O-N 2.97Å; I404-G478 VanDerWaalsContact O-N 3.08Å; I404-V494 HydrophobicContact CD1-CB 4.41Å; I404-V494 HydrophobicContact CD1-CG1 3.92Å; I404-V494 HydrophobicContact CD1-CG2 3.74Å; I404-V494 HydrophobicContact CG2-CG2 4.38Å; I404-L685 HydrophobicContact CG2-CD1 4.24Å
405	G	96.3	Very high	97.7	Very high	2 Å²	2	13.3 Å²	13.3	2%	0.021	7%	0.065	C	C	.	.	S	Bend	trans	57.7	28.1	172.1	0	0	0	0	0	115.1	V433	G405-V433 PolarHBondContact N-O 3.26Å
406	T	97.6	Very high	97.8	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.012	7%	0.065	C	C	.	.			trans	-123.6	149.1	-179.4	177.7	0	0	0	0	110.9	L403 I404 P408 E411	L403-T406 HydrophobicContact CB-CG2 4.15Å; L403-T406 HydrophobicContact CD2-CG2 4.21Å; I404-T406 PolarHBondContact O-N 3.28Å; I404-T406 VanDerWaalsContact O-N 3.16Å; T406-P408 WeakPolarHBondContact O-CD 3.48Å; T406-E411 PolarHBondContact OG1-OE2 3.41Å
407	N	98.1	Very high	97.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.			trans	-111.5	85	161	-172.4	-4.7	0	0	0	108.6	R409 F410 E411 V437 L439 P687 Q689	N407-R409 PolarHBondContact O-N 2.56Å; N407-R409 WeakPolarHBondContact OD1-CB 3.3Å; N407-F410 WeakPolarHBondContact ND2-CD2 3.49Å; N407-F410 VanDerWaalsContact ND2-CE2 3.31Å; N407-F410 WeakPolarHBondContact ND2-CE2 3.48Å; N407-F410 PolarHBondContact O-N 3Å; N407-F410 VanDerWaalsContact O-N 3.09Å; N407-E411 PolarHBondContact O-N 3.33Å; N407-E411 VanDerWaalsContact O-N 3.1Å; N407-V437 HydrophobicContact CB-CG1 4.48Å; N407-V437 HydrophobicContact CB-CG2 4.33Å; N407-L439 WeakPolarHBondContact OD1-CD2 3.3Å; N407-P687 HydrophobicContact CB-CB 4.02Å; N407-P687 HydrophobicContact CB-CG 3.93Å; N407-Q689 PolarHBondContact ND2-O 3.2Å
408	P	98.1	Very high	97.9	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-61.7	-23.4	-173.2	25.2	-35.3	0	0	0	111.8	L403 T406 F410 A412 F415 N416 I419 L439 L517	L403-P408 HydrophobicContact CD1-CG 4Å; L403-P408 HydrophobicContact CD2-CG 4.45Å; T406-P408 WeakPolarHBondContact O-CD 3.48Å; P408-F410 VanDerWaalsContact C-N 3.27Å; P408-F410 PolarHBondContact O-N 2.76Å; P408-A412 CarbonylContact O-C 3.52Å; P408-A412 WeakPolarHBondContact O-CA 3.46Å; P408-A412 PolarHBondContact O-N 3.35Å; P408-F415 HydrophobicContact CB-CD1 4.05Å; P408-F415 HydrophobicContact CB-CE1 4.5Å; P408-N416 HydrophobicContact CB-CB 4.28Å; P408-I419 HydrophobicContact CB-CD1 4.5Å; P408-I419 HydrophobicContact CG-CD1 4.39Å; P408-L439 HydrophobicContact CG-CD2 4.01Å; P408-L517 HydrophobicContact CB-CD2 3.87Å
409	R	98.1	Very high	98	Very high	13 Å²	13	5.8 Å²	5.8	5%	0.049	3%	0.031	C	C	.	.	H	α-helix	trans	-57.3	-38.2	176.5	-172.1	-179.4	175.9	-179.1	-0.1	112.9	E218 N407 P413 N416 N438 L439 T440	E218-R409 VanDerWaalsContact CD-NE 3.31Å; E218-R409 HydrophobicContact CG-CG 4.07Å; E218-R409 WeakPolarHBondContact OE1-CG 3.41Å; E218-R409 IonicContact OE1-NE 3.86Å; E218-R409 PolarHBondContact OE1-NE 2.82Å; E218-R409 IonicContact OE2-CZ 3.25Å; E218-R409 VanDerWaalsContact OE2-CZ 3.27Å; E218-R409 IonicContact OE2-NE 2.83Å; E218-R409 PolarHBondContact OE2-NE 2.78Å; E218-R409 IonicContact OE2-NH2 2.66Å; E218-R409 PolarHBondContact OE2-NH2 3.08Å; N407-R409 PolarHBondContact O-N 2.56Å; N407-R409 WeakPolarHBondContact OD1-CB 3.3Å; R409-P413 WeakPolarHBondContact O-CA 3.41Å; R409-P413 WeakPolarHBondContact O-CG 3.28Å; R409-N416 HydrophobicContact CB-CB 4.44Å; R409-N438 WeakPolarHBondContact CD-O 3.46Å; R409-N438 VanDerWaalsContact NH1-CG 3.34Å; R409-N438 PolarHBondContact NH1-ND2 2.67Å; R409-N438 PolarHBondContact NH1-O 2.96Å; R409-L439 HydrophobicContact CB-CD2 4.33Å; R409-T440 VanDerWaalsContact CZ-CG2 3.44Å
410	F	98	Very high	98.2	Very high	8 Å²	8	4.1 Å²	4.1	4%	0.035	2%	0.02	C	C	.	.	H	α-helix	trans	-105.3	-31	-177.5	-56.9	-37.7	0	0	0	112.9	E218 N407 P408 Q689 T691 I692 F695	E218-F410 HydrophobicContact CB-CD1 4.49Å; N407-F410 WeakPolarHBondContact ND2-CD2 3.49Å; N407-F410 VanDerWaalsContact ND2-CE2 3.31Å; N407-F410 WeakPolarHBondContact ND2-CE2 3.48Å; N407-F410 PolarHBondContact O-N 3Å; N407-F410 VanDerWaalsContact O-N 3.09Å; P408-F410 VanDerWaalsContact C-N 3.27Å; P408-F410 PolarHBondContact O-N 2.76Å; F410-Q689 HydrophobicContact CB-CB 3.87Å; F410-Q689 VanDerWaalsContact CB-OE1 3.23Å; F410-Q689 HydrophobicContact CD2-CB 3.99Å; F410-Q689 HydrophobicContact CG-CB 4.39Å; F410-Q689 PolarHBondContact O-OE1 2.98Å; F410-T691 WeakPolarHBondContact CE2-O 3.48Å; F410-I692 HydrophobicContact CD1-CD1 4.18Å; F410-I692 HydrophobicContact CE1-CB 4.19Å; F410-I692 HydrophobicContact CE1-CD1 3.53Å; F410-I692 HydrophobicContact CE1-CG1 4.46Å; F410-I692 HydrophobicContact CZ-CB 4.14Å; F410-I692 HydrophobicContact CZ-CD1 4.33Å; F410-F695 HydrophobicContact CB-CB 4.18Å; F410-F695 HydrophobicContact CB-CD2 4.01Å; F410-F695 HydrophobicContact CD1-CB 3.87Å; F410-F695 HydrophobicContact CD1-CD2 4.25Å; F410-F695 HydrophobicContact CD1-CG 4.15Å; F410-F695 HydrophobicContact CG-CB 4.08Å; F410-F695 WeakPolarHBondContact O-CD2 3.49Å
411	E	97.6	Very high	98.2	Very high	3 Å²	3	6.1 Å²	6.1	1%	0.014	3%	0.029	C	C	.	.	H	α-helix	trans	-74.5	-37.4	178.6	-68.5	175.5	174.6	0	0	112.1	T406 N407 A480 R519	T406-E411 PolarHBondContact OG1-OE2 3.41Å; N407-E411 PolarHBondContact O-N 3.33Å; N407-E411 VanDerWaalsContact O-N 3.1Å; E411-A480 VanDerWaalsContact OE1-CB 3.22Å; E411-A480 WeakPolarHBondContact OE1-CB 3.12Å; E411-R519 HydrophobicContact CB-CB 4.13Å; E411-R519 HydrophobicContact CG-CB 4.41Å
412	A	98.3	Very high	98.2	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.029	C	C	.	.	S	Bend	trans	-149.2	73.4	-180	0	0	0	0	0	111	V258 P408 L414 F415 N416 L517	V258-A412 HydrophobicContact CG2-CB 3.61Å; P408-A412 CarbonylContact O-C 3.52Å; P408-A412 WeakPolarHBondContact O-CA 3.46Å; P408-A412 PolarHBondContact O-N 3.35Å; A412-L414 PolarHBondContact O-N 3.35Å; A412-F415 HydrophobicContact CB-CB 3.85Å; A412-F415 WeakPolarHBondContact O-CA 3.04Å; A412-F415 WeakPolarHBondContact O-CB 3.14Å; A412-F415 PolarHBondContact O-N 2.88Å; A412-N416 PolarHBondContact O-N 2.69Å; A412-N416 VanDerWaalsContact O-N 3.11Å; A412-L517 HydrophobicContact CB-CD1 3.72Å; A412-L517 HydrophobicContact CB-CD2 4.06Å; A412-L517 HydrophobicContact CB-CG 4.19Å
413	P	98.6	Very high	98.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-52.4	-36.4	-169.9	-28.4	34.1	0	0	0	115.1	E218 L219 R409 N416 A417 F695	E218-P413 HydrophobicContact CG-CB 3.84Å; E218-P413 HydrophobicContact CG-CG 4.33Å; L219-P413 HydrophobicContact CD2-CB 4.19Å; L219-P413 HydrophobicContact CG-CB 4.5Å; R409-P413 WeakPolarHBondContact O-CA 3.41Å; R409-P413 WeakPolarHBondContact O-CG 3.28Å; P413-N416 WeakPolarHBondContact O-CB 3.2Å; P413-N416 PolarHBondContact O-N 3.28Å; P413-A417 PolarHBondContact O-N 3.25Å; P413-F695 HydrophobicContact CG-CD2 4.49Å; P413-F695 HydrophobicContact CG-CE2 3.55Å; P413-F695 HydrophobicContact CG-CZ 3.97Å
414	L	98.5	Very high	98.1	Very high	5 Å²	5	12.8 Å²	12.8	3%	0.026	6%	0.059	C	C	.	.	H	α-helix	trans	-75.1	-30.8	179.7	-87.9	34	0	0	0	113.1	L219 V258 S260 N283 W286 A412 N416 A417 R418	L219-L414 HydrophobicContact CD2-CD1 3.29Å; V258-L414 HydrophobicContact CG1-CB 4.09Å; V258-L414 HydrophobicContact CG1-CD2 4.25Å; S260-L414 WeakPolarHBondContact OG-CD2 3.3Å; N283-L414 HydrophobicContact CB-CD2 3.49Å; N283-L414 VanDerWaalsContact CB-CD2 3.49Å; N283-L414 HydrophobicContact CB-CG 4.18Å; W286-L414 HydrophobicContact CB-CD1 4.38Å; A412-L414 PolarHBondContact O-N 3.35Å; L414-N416 VanDerWaalsContact C-N 3.33Å; L414-A417 PolarHBondContact O-N 3.12Å; L414-R418 PolarHBondContact O-N 3.14Å
415	F	98.6	Very high	98	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-65.8	-41.2	168.9	179.4	-109.4	0	0	0	110.1	L388 I392 V395 P408 A412 A417 R418 I419 M474 V476 L517	L388-F415 HydrophobicContact CD1-CE2 4.02Å; L388-F415 HydrophobicContact CD1-CZ 4.17Å; L388-F415 HydrophobicContact CD2-CD2 3.92Å; L388-F415 HydrophobicContact CD2-CE2 3.76Å; I392-F415 HydrophobicContact CG1-CD2 4.34Å; I392-F415 HydrophobicContact CG2-CD2 4.45Å; V395-F415 HydrophobicContact CG2-CD2 4.15Å; V395-F415 HydrophobicContact CG2-CE2 3.41Å; V395-F415 VanDerWaalsContact CG2-CE2 3.41Å; V395-F415 HydrophobicContact CG2-CZ 4.1Å; P408-F415 HydrophobicContact CB-CD1 4.05Å; P408-F415 HydrophobicContact CB-CE1 4.5Å; A412-F415 HydrophobicContact CB-CB 3.85Å; A412-F415 WeakPolarHBondContact O-CA 3.04Å; A412-F415 WeakPolarHBondContact O-CB 3.14Å; A412-F415 PolarHBondContact O-N 2.88Å; F415-A417 PolarHBondContact O-N 3.21Å; F415-R418 WeakPolarHBondContact O-CB 3.22Å; F415-R418 PolarHBondContact O-N 2.94Å; F415-I419 HydrophobicContact CD1-CD1 3.84Å; F415-I419 HydrophobicContact CE1-CD1 3.53Å; F415-I419 HydrophobicContact CE1-CG1 4.29Å; F415-I419 HydrophobicContact CZ-CD1 4.05Å; F415-I419 HydrophobicContact CZ-CG1 4.39Å; F415-I419 WeakPolarHBondContact O-CG1 3.39Å; F415-I419 PolarHBondContact O-N 3.42Å; F415-M474 HydrophobicContact CE2-CE 4.01Å; F415-M474 HydrophobicContact CZ-CE 3.84Å; F415-V476 HydrophobicContact CE1-CG1 4.3Å; F415-V476 HydrophobicContact CZ-CG1 4.48Å; F415-V476 HydrophobicContact CZ-CG2 4.11Å; F415-L517 HydrophobicContact CB-CD1 4.41Å; F415-L517 HydrophobicContact CD1-CD1 3.85Å; F415-L517 HydrophobicContact CD1-CD2 3.78Å; F415-L517 HydrophobicContact CD1-CG 4.45Å; F415-L517 HydrophobicContact CE1-CD1 4.3Å; F415-L517 HydrophobicContact CE1-CD2 4.08Å; F415-L517 HydrophobicContact CG-CD1 4.1Å
416	N	98.6	Very high	98	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-63.1	-39.7	172.9	-166.2	61	0	0	0	113	P408 R409 A412 P413 L414 R418 I419 R420 L439 Y441	P408-N416 HydrophobicContact CB-CB 4.28Å; R409-N416 HydrophobicContact CB-CB 4.44Å; A412-N416 PolarHBondContact O-N 2.69Å; A412-N416 VanDerWaalsContact O-N 3.11Å; P413-N416 WeakPolarHBondContact O-CB 3.2Å; P413-N416 PolarHBondContact O-N 3.28Å; L414-N416 VanDerWaalsContact C-N 3.33Å; N416-R418 VanDerWaalsContact C-N 3.27Å; N416-R418 PolarHBondContact O-N 3.22Å; N416-I419 PolarHBondContact O-N 3.43Å; N416-R420 PolarHBondContact O-N 3.2Å; N416-L439 PolarHBondContact ND2-O 2.73Å; N416-L439 VanDerWaalsContact ND2-O 3.12Å; N416-Y441 WeakPolarHBondContact OD1-CE1 3.42Å; N416-Y441 PolarHBondContact OD1-OH 3.36Å
417	A	98.4	Very high	97.9	Very high	11 Å²	11	29 Å²	29	9%	0.091	14%	0.141	C	C	.	.	H	α-helix	trans	-61.1	-38.3	173.8	0	0	0	0	0	111.7	I190 L219 P413 L414 F415 R420 K421	I190-A417 HydrophobicContact CG2-CB 4.45Å; L219-A417 HydrophobicContact CD1-CB 3.78Å; P413-A417 PolarHBondContact O-N 3.25Å; L414-A417 PolarHBondContact O-N 3.12Å; F415-A417 PolarHBondContact O-N 3.21Å; A417-R420 PolarHBondContact O-N 3.4Å; A417-K421 WeakPolarHBondContact O-CB 3.48Å; A417-K421 PolarHBondContact O-N 3.23Å
418	R	98.4	Very high	97.9	Very high	9 Å²	9	29.1 Å²	29.1	3%	0.034	14%	0.142	C	C	.	.	H	α-helix	trans	-65.7	-44.6	174.7	-164	67.8	61.7	137.7	14.3	111.9	E280 I282 E284 I392 V395 E396 L414 F415 N416 R420 K421 S422	E280-R418 PolarHBondContact O-NH1 3.5Å; E280-R418 VanDerWaalsContact O-NH1 3.15Å; E280-R418 PolarHBondContact O-NH2 3.11Å; I282-R418 PolarHBondContact O-NH2 3.34Å; E284-R418 VanDerWaalsContact CG-CZ 3.47Å; E284-R418 IonicContact OE1-CZ 3.22Å; E284-R418 IonicContact OE1-NH1 2.65Å; I392-R418 HydrophobicContact CG2-CB 4.27Å; I392-R418 HydrophobicContact CG2-CG 4.24Å; I392-R418 WeakPolarHBondContact O-CG 3.47Å; V395-R418 HydrophobicContact CB-CG 4Å; V395-R418 HydrophobicContact CG1-CG 4.44Å; E396-R418 HydrophobicContact CG-CG 4.4Å; E396-R418 WeakPolarHBondContact OE1-CD 3.46Å; E396-R418 IonicContact OE1-CZ 2.74Å; E396-R418 IonicContact OE1-NE 3.27Å; E396-R418 IonicContact OE1-NH1 3.56Å; E396-R418 PolarHBondContact OE1-NH1 2.69Å; L414-R418 PolarHBondContact O-N 3.14Å; F415-R418 WeakPolarHBondContact O-CB 3.22Å; F415-R418 PolarHBondContact O-N 2.94Å; N416-R418 VanDerWaalsContact C-N 3.27Å; N416-R418 PolarHBondContact O-N 3.22Å; R418-R420 VanDerWaalsContact C-N 3.31Å; R418-R420 PolarHBondContact O-N 2.96Å; R418-K421 WeakPolarHBondContact O-CB 3.22Å; R418-K421 PolarHBondContact O-N 3.38Å; R418-S422 PolarHBondContact O-N 3.48Å; R418-S422 PolarHBondContact O-OG 3.08Å
419	I	98.6	Very high	97.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.1	-47.2	173.6	-63.5	165.9	0	0	0	110.2	V395 L401 L403 P408 F415 N416 K421 S422 W423 L428 V430 Y441	V395-I419 HydrophobicContact CG1-CB 4.47Å; V395-I419 HydrophobicContact CG1-CG1 3.94Å; L401-I419 HydrophobicContact CD2-CB 4.38Å; L401-I419 HydrophobicContact CD2-CD1 3.69Å; L401-I419 HydrophobicContact CD2-CG1 3.69Å; L401-I419 HydrophobicContact CD2-CG2 3.75Å; L403-I419 HydrophobicContact CD2-CD1 4.3Å; P408-I419 HydrophobicContact CB-CD1 4.5Å; P408-I419 HydrophobicContact CG-CD1 4.39Å; F415-I419 HydrophobicContact CD1-CD1 3.84Å; F415-I419 HydrophobicContact CE1-CD1 3.53Å; F415-I419 HydrophobicContact CE1-CG1 4.29Å; F415-I419 HydrophobicContact CZ-CD1 4.05Å; F415-I419 HydrophobicContact CZ-CG1 4.39Å; F415-I419 WeakPolarHBondContact O-CG1 3.39Å; F415-I419 PolarHBondContact O-N 3.42Å; N416-I419 PolarHBondContact O-N 3.43Å; I419-K421 PolarHBondContact O-N 3.26Å; I419-S422 PolarHBondContact O-N 3.07Å; I419-W423 WeakPolarHBondContact O-CB 3.32Å; I419-W423 PolarHBondContact O-N 3.43Å; I419-L428 HydrophobicContact CG2-CD2 4.05Å; I419-V430 HydrophobicContact CG2-CG2 3.93Å; I419-Y441 HydrophobicContact CB-CE1 4.29Å; I419-Y441 HydrophobicContact CG2-CE1 3.97Å; I419-Y441 HydrophobicContact CG2-CE2 3.87Å; I419-Y441 VanDerWaalsContact CG2-CZ 3.48Å; I419-Y441 WeakPolarHBondContact CG2-OH 3.39Å
420	R	98.4	Very high	97.9	Very high	16 Å²	16	32.3 Å²	32.3	6%	0.06	16%	0.157	C	C	.	.	H	α-helix	trans	-59.9	-45	178.1	-174.5	-176.1	178.1	69.3	5.8	112	S188 E189 I190 G192 N416 A417 R418 S422 W423 L424 T440 Y441	S188-R420 PolarHBondContact O-NH2 2.87Å; E189-R420 VanDerWaalsContact O-CD 3.27Å; E189-R420 WeakPolarHBondContact O-CD 3.16Å; E189-R420 PolarHBondContact O-NE 3.35Å; I190-R420 WeakPolarHBondContact O-CD 2.96Å; G192-R420 VanDerWaalsContact CA-NE 3.33Å; G192-R420 VanDerWaalsContact CA-NH2 3.29Å; N416-R420 PolarHBondContact O-N 3.2Å; A417-R420 PolarHBondContact O-N 3.4Å; R418-R420 VanDerWaalsContact C-N 3.31Å; R418-R420 PolarHBondContact O-N 2.96Å; R420-S422 VanDerWaalsContact C-N 3.32Å; R420-S422 PolarHBondContact O-N 3.35Å; R420-W423 WeakPolarHBondContact O-CB 3.41Å; R420-W423 PolarHBondContact O-N 3.39Å; R420-L424 WeakPolarHBondContact O-CB 3.48Å; R420-L424 PolarHBondContact O-N 2.54Å; R420-T440 PolarHBondContact NH1-O 2.89Å; R420-T440 PolarHBondContact NH1-OG1 3.37Å; R420-Y441 HydrophobicContact CB-CD1 3.72Å; R420-Y441 HydrophobicContact CB-CE1 4.14Å; R420-Y441 HydrophobicContact CG-CD1 4.04Å
421	K	98.2	Very high	97.9	Very high	57 Å²	57	31.9 Å²	31.9	25%	0.248	16%	0.155	C	C	.	.	H	α-helix	trans	-58	-46.2	176.6	-177.9	-171.4	173.2	-164.3	0	110.7	E284 E396 A417 R418 I419 L424 H425	E284-K421 IonicContact OE1-NZ 2.91Å; E284-K421 PolarHBondContact OE1-NZ 3.25Å; E396-K421 IonicContact OE1-NZ 3.81Å; E396-K421 PolarHBondContact OE1-NZ 3.21Å; E396-K421 IonicContact OE2-NZ 3.8Å; E396-K421 PolarHBondContact OE2-NZ 2.89Å; A417-K421 WeakPolarHBondContact O-CB 3.48Å; A417-K421 PolarHBondContact O-N 3.23Å; R418-K421 WeakPolarHBondContact O-CB 3.22Å; R418-K421 PolarHBondContact O-N 3.38Å; I419-K421 PolarHBondContact O-N 3.26Å; K421-L424 PolarHBondContact O-N 2.94Å; K421-H425 WeakPolarHBondContact O-CB 3.32Å; K421-H425 PolarHBondContact O-CD2 2.74Å; K421-H425 VanDerWaalsContact O-CD2 3.26Å; K421-H425 PolarHBondContact O-N 2.77Å
422	S	98.1	Very high	97.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.3	-37.5	176.9	-52.4	0	0	0	0	112.6	V395 E396 R418 I419 R420 L424 N426 D427	V395-S422 PolarHBondContact O-OG 3.4Å; E396-S422 VanDerWaalsContact CA-OG 3.31Å; E396-S422 WeakPolarHBondContact CA-OG 3.36Å; E396-S422 PolarHBondContact N-OG 3.03Å; R418-S422 PolarHBondContact O-N 3.48Å; R418-S422 PolarHBondContact O-OG 3.08Å; I419-S422 PolarHBondContact O-N 3.07Å; R420-S422 VanDerWaalsContact C-N 3.32Å; R420-S422 PolarHBondContact O-N 3.35Å; S422-L424 VanDerWaalsContact C-N 3.33Å; S422-L424 PolarHBondContact O-N 3.09Å; S422-N426 CarbonylContact O-C 3.48Å; S422-N426 WeakPolarHBondContact O-CA 3.43Å; S422-N426 WeakPolarHBondContact O-CB 2.9Å; S422-N426 PolarHBondContact O-N 2.92Å; S422-D427 PolarHBondContact O-N 3.02Å
423	W	98.4	Very high	97.9	Very high	70 Å²	70	31.8 Å²	31.8	27%	0.265	16%	0.155	S	C	.	.	H	α-helix	trans	-60.7	-41.6	172.2	175.1	90.6	0	0	0	111.9	I419 R420 Y441 T442	I419-W423 WeakPolarHBondContact O-CB 3.32Å; I419-W423 PolarHBondContact O-N 3.43Å; R420-W423 WeakPolarHBondContact O-CB 3.41Å; R420-W423 PolarHBondContact O-N 3.39Å; W423-Y441 HydrophobicContact CG-CG 4.47Å; W423-T442 HydrophobicContact CZ2-CG2 4.37Å; W423-T442 WeakPolarHBondContact CZ2-OG1 3.39Å; W423-T442 PolarHBondContact NE1-OG1 3.49Å; W423-T442 VanDerWaalsContact NE1-OG1 3.13Å
424	L	97.1	Very high	97.8	Very high	70 Å²	70	31.9 Å²	31.9	37%	0.366	16%	0.155	S	C	.	.	H	α-helix	trans	-75.5	-35.8	-178.1	-173.3	63.8	0	0	0	113.5	E189 R420 K421 S422	E189-L424 HydrophobicContact CB-CD2 4.03Å; E189-L424 HydrophobicContact CG-CD2 4.21Å; R420-L424 WeakPolarHBondContact O-CB 3.48Å; R420-L424 PolarHBondContact O-N 2.54Å; K421-L424 PolarHBondContact O-N 2.94Å; S422-L424 VanDerWaalsContact C-N 3.33Å; S422-L424 PolarHBondContact O-N 3.09Å
425	H	96.1	Very high	97.7	Very high	120 Å²	120	32.6 Å²	32.6	56%	0.556	16%	0.161	S	C	*	.	H	α-helix	trans	-103.7	-27.6	-171.9	-69	-63.8	0	0	0	114.8	K421	K421-H425 WeakPolarHBondContact O-CB 3.32Å; K421-H425 PolarHBondContact O-CD2 2.74Å; K421-H425 VanDerWaalsContact O-CD2 3.26Å; K421-H425 PolarHBondContact O-N 2.77Å
426	N	96.4	Very high	97.6	Very high	79 Å²	79	36 Å²	36	42%	0.422	19%	0.189	S	C	.	.	H	α-helix	trans	-119	7.6	-171.5	-55.8	-23.4	0	0	0	112.9	E396 S422 L428	E396-N426 PolarHBondContact O-ND2 2.63Å; S422-N426 CarbonylContact O-C 3.48Å; S422-N426 WeakPolarHBondContact O-CA 3.43Å; S422-N426 WeakPolarHBondContact O-CB 2.9Å; S422-N426 PolarHBondContact O-N 2.92Å; N426-L428 PolarHBondContact O-N 3.3Å
427	D	95.2	Very high	97.5	Very high	146 Å²	146	36.5 Å²	36.5	78%	0.781	19%	0.192	S	C	*	.			trans	52.8	38.3	-176.4	-65.5	-39.5	0	0	0	113	S422 Q429	S422-D427 PolarHBondContact O-N 3.02Å; D427-Q429 PolarHBondContact O-N 3.03Å
428	L	97.8	Very high	97.4	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	22%	0.216	C	C	.	.			trans	-57.8	121.1	179.5	175.8	68	0	0	0	111	V395 A398 L401 I419 N426 V430	V395-L428 HydrophobicContact CG1-CD2 4.33Å; A398-L428 HydrophobicContact CB-CD1 4.1Å; A398-L428 WeakPolarHBondContact O-CD1 3.44Å; L401-L428 HydrophobicContact CB-CD1 4.08Å; L401-L428 HydrophobicContact CB-CD2 4.23Å; L401-L428 HydrophobicContact CB-CG 4.38Å; L401-L428 HydrophobicContact CD2-CD2 4.24Å; I419-L428 HydrophobicContact CG2-CD2 4.05Å; N426-L428 PolarHBondContact O-N 3.3Å; L428-V430 HydrophobicContact CD2-CG2 3.96Å; L428-V430 HydrophobicContact CG-CG2 3.95Å; L428-V430 PolarHBondContact O-N 2.84Å
429	Q	97.8	Very high	97.4	Very high	75 Å²	75	40.8 Å²	40.8	35%	0.35	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	119	172.4	-172.9	177.6	-3.7	0	0	109.9	D399 I400 L401 D427 D444	D399-Q429 PolarHBondContact O-N 3.14Å; I400-Q429 WeakPolarHBondContact CA-O 3.26Å; I400-Q429 HydrophobicContact CG1-CB 4.2Å; L401-Q429 PolarHBondContact N-O 3.33Å; D427-Q429 PolarHBondContact O-N 3.03Å; Q429-D444 PolarHBondContact NE2-OD2 3.32Å
430	V	98.5	Very high	97.3	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.024	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.5	179.8	-172.3	0	0	0	0	110	L401 L403 I419 L428 Y441 Y443 D444	L401-V430 HydrophobicContact CB-CG2 4.41Å; L401-V430 HydrophobicContact CD2-CG1 4.27Å; L401-V430 HydrophobicContact CD2-CG2 4.37Å; L401-V430 HydrophobicContact CG-CG1 4.42Å; L401-V430 CarbonylContact O-C 3.33Å; L401-V430 WeakPolarHBondContact O-CA 3.43Å; L403-V430 HydrophobicContact CD1-CG1 3.84Å; L403-V430 HydrophobicContact CG-CG1 4.25Å; I419-V430 HydrophobicContact CG2-CG2 3.93Å; L428-V430 HydrophobicContact CD2-CG2 3.96Å; L428-V430 HydrophobicContact CG-CG2 3.95Å; L428-V430 PolarHBondContact O-N 2.84Å; V430-Y441 HydrophobicContact CB-CE2 4.32Å; V430-Y441 HydrophobicContact CG1-CE2 4.08Å; V430-Y441 HydrophobicContact CG2-CD2 4.44Å; V430-Y441 HydrophobicContact CG2-CE2 4.17Å; V430-Y443 CarbonylContact O-C 3.48Å; V430-Y443 VanDerWaalsContact O-CA 3.25Å; V430-Y443 WeakPolarHBondContact O-CA 3.42Å; V430-Y443 WeakPolarHBondContact O-CB 3.49Å; V430-D444 PolarHBondContact O-N 3.34Å
431	A	98.4	Very high	97.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.7	171	0	0	0	0	0	111.2	L401 L402 L403 D444 L446 F463	L401-A431 PolarHBondContact O-N 3.32Å; L402-A431 HydrophobicContact CD1-CB 4.11Å; L403-A431 PolarHBondContact N-O 3.28Å; A431-D444 CarbonylContact C-O 3.54Å; A431-D444 VanDerWaalsContact CA-O 3.23Å; A431-D444 WeakPolarHBondContact CA-O 3.32Å; A431-D444 HydrophobicContact CB-CB 4.08Å; A431-L446 HydrophobicContact CB-CD1 4.01Å; A431-L446 HydrophobicContact CB-CD2 4.25Å; A431-L446 HydrophobicContact CB-CG 4.08Å; A431-F463 HydrophobicContact CB-CD2 4.12Å; A431-F463 HydrophobicContact CB-CE1 3.93Å; A431-F463 HydrophobicContact CB-CE2 3.45Å; A431-F463 VanDerWaalsContact CB-CE2 3.45Å; A431-F463 HydrophobicContact CB-CZ 3.33Å
432	L	98.4	Very high	97.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.7	-178.9	179.6	65.6	0	0	0	110.8	L403 S435 V437 Y443 D444 L446	L403-L432 HydrophobicContact CB-CD1 3.69Å; L403-L432 WeakPolarHBondContact O-CA 3.34Å; L432-S435 WeakPolarHBondContact CD2-O 3.43Å; L432-V437 HydrophobicContact CD2-CG2 3.93Å; L432-Y443 HydrophobicContact CB-CD2 3.69Å; L432-Y443 HydrophobicContact CB-CE2 3.84Å; L432-Y443 HydrophobicContact CD2-CD2 4.36Å; L432-Y443 HydrophobicContact CD2-CE2 3.74Å; L432-Y443 HydrophobicContact CG-CE2 4.42Å; L432-D444 PolarHBondContact N-O 3.15Å; L432-L446 PolarHBondContact O-N 3.38Å
433	V	98.1	Very high	97.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	107	164.6	-176.9	0	0	0	0	107.8	L402 L403 G405 L446 G447 I452 L453 I456 L685	L402-V433 HydrophobicContact CD1-CG2 3.99Å; L403-V433 PolarHBondContact O-N 3.48Å; G405-V433 PolarHBondContact N-O 3.26Å; V433-L446 HydrophobicContact CG2-CB 4Å; V433-L446 HydrophobicContact CG2-CD1 3.9Å; V433-L446 HydrophobicContact CG2-CG 4.35Å; V433-G447 CarbonylContact C-O 3.52Å; V433-G447 WeakPolarHBondContact CA-O 3.43Å; V433-I452 HydrophobicContact CG1-CB 4.22Å; V433-I452 HydrophobicContact CG1-CD1 4.48Å; V433-I452 HydrophobicContact CG1-CG2 4.32Å; V433-I452 HydrophobicContact CG2-CG2 4.06Å; V433-L453 HydrophobicContact CB-CD2 4.39Å; V433-L453 HydrophobicContact CG1-CD2 4.05Å; V433-L453 HydrophobicContact CG1-CG 4.48Å; V433-L453 HydrophobicContact CG2-CD2 4.44Å; V433-I456 HydrophobicContact CG2-CD1 4.21Å; V433-L685 HydrophobicContact CG1-CD1 4.06Å
434	G	96.5	Very high	97.2	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.01	25%	0.253	C	S	.	.	S	Bend	trans	155.2	-174.6	-174.1	0	0	0	0	0	111.9	H445 G447 L685	G434-H445 PolarHBondContact O-NE2 2.89Å; G434-G447 PolarHBondContact N-O 2.87Å; G434-L685 CarbonylContact C-O 3.57Å; G434-L685 VanDerWaalsContact CA-O 3.31Å; G434-L685 WeakPolarHBondContact CA-O 3.44Å
435	S	96.3	Very high	97.3	Very high	21 Å²	21	47.3 Å²	47.3	15%	0.147	26%	0.256	C	S	.	.	S	Bend	trans	-57.9	140.4	173.4	64.7	0	0	0	0	111.3	L432 V437 L685 P687	L432-S435 WeakPolarHBondContact CD2-O 3.43Å; S435-V437 PolarHBondContact O-N 3.49Å; S435-L685 PolarHBondContact N-O 3.29Å; S435-P687 WeakPolarHBondContact OG-CD 3.41Å
436	A	96.3	Very high	97.3	Very high	72 Å²	72	43.1 Å²	43.1	60%	0.595	24%	0.237	S	C	*	.			trans	-67.5	103.3	175.3	0	0	0	0	0	110.8
437	V	96.6	Very high	97.3	Very high	11 Å²	11	40.1 Å²	40.1	7%	0.067	23%	0.225	C	C	.	.			trans	-109.6	159	-179.9	-67.7	0	0	0	0	111.6	N407 L432 S435 L439 Y443 P687 L690	N407-V437 HydrophobicContact CB-CG1 4.48Å; N407-V437 HydrophobicContact CB-CG2 4.33Å; L432-V437 HydrophobicContact CD2-CG2 3.93Å; S435-V437 PolarHBondContact O-N 3.49Å; V437-L439 HydrophobicContact CG2-CD2 3.69Å; V437-L439 HydrophobicContact CG2-CG 4.03Å; V437-L439 PolarHBondContact O-N 3.13Å; V437-Y443 PolarHBondContact N-OH 3.26Å; V437-Y443 WeakPolarHBondContact O-CE1 3.43Å; V437-Y443 PolarHBondContact O-OH 3.02Å; V437-P687 HydrophobicContact CG1-CG 4.2Å; V437-L690 HydrophobicContact CG1-CD2 4.22Å
438	N	96.6	Very high	97.3	Very high	109 Å²	109	36.7 Å²	36.7	58%	0.583	21%	0.207	S	C	*	.			trans	-85.6	102.6	175.9	-179.1	-1.6	0	0	0	110.9	R409 T440	R409-N438 WeakPolarHBondContact CD-O 3.46Å; R409-N438 VanDerWaalsContact NH1-CG 3.34Å; R409-N438 PolarHBondContact NH1-ND2 2.67Å; R409-N438 PolarHBondContact NH1-O 2.96Å; N438-T440 PolarHBondContact OD1-N 3.1Å
439	L	96.9	Very high	97.1	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	22%	0.219	C	C	.	.			trans	-91.5	0.1	179.9	-61.2	-178.9	0	0	0	114.8	L403 N407 P408 R409 N416 V437 Y441 Y443	L403-L439 HydrophobicContact CD1-CD1 3.88Å; N407-L439 WeakPolarHBondContact OD1-CD2 3.3Å; P408-L439 HydrophobicContact CG-CD2 4.01Å; R409-L439 HydrophobicContact CB-CD2 4.33Å; N416-L439 PolarHBondContact ND2-O 2.73Å; N416-L439 VanDerWaalsContact ND2-O 3.12Å; V437-L439 HydrophobicContact CG2-CD2 3.69Å; V437-L439 HydrophobicContact CG2-CG 4.03Å; V437-L439 PolarHBondContact O-N 3.13Å; L439-Y441 HydrophobicContact CB-CD1 4.47Å; L439-Y441 HydrophobicContact CB-CD2 4.34Å; L439-Y441 HydrophobicContact CB-CE1 4Å; L439-Y441 HydrophobicContact CB-CE2 3.83Å; L439-Y441 HydrophobicContact CD1-CE2 3.95Å; L439-Y441 WeakPolarHBondContact O-CD1 3.48Å; L439-Y441 WeakPolarHBondContact O-CE1 3.2Å; L439-Y441 PolarHBondContact O-N 3.48Å; L439-Y443 HydrophobicContact CB-CD1 4.33Å; L439-Y443 HydrophobicContact CB-CE1 4.31Å; L439-Y443 HydrophobicContact CD1-CD1 3.85Å; L439-Y443 HydrophobicContact CD1-CE1 4.01Å; L439-Y443 HydrophobicContact CD1-CG 4.36Å; L439-Y443 HydrophobicContact CG-CD1 4.27Å; L439-Y443 HydrophobicContact CG-CE1 4.05Å
440	T	96.8	Very high	97	Very high	21 Å²	21	34.9 Å²	34.9	13%	0.129	20%	0.202	C	C	.	.	S	Bend	trans	74.8	-17.1	-173.4	83.2	0	0	0	0	116.2	A191 R409 R420 N438	A191-T440 WeakPolarHBondContact O-CG2 3.44Å; R409-T440 VanDerWaalsContact CZ-CG2 3.44Å; R420-T440 PolarHBondContact NH1-O 2.89Å; R420-T440 PolarHBondContact NH1-OG1 3.37Å; N438-T440 PolarHBondContact OD1-N 3.1Å
441	Y	97.4	Very high	96.7	Very high	13 Å²	13	38.8 Å²	38.8	5%	0.051	22%	0.22	C	C	.	.	S	Bend	trans	-118.7	168.7	172.6	46.8	-93.9	0	0	0	111.6	N416 I419 R420 W423 V430 L439	N416-Y441 WeakPolarHBondContact OD1-CE1 3.42Å; N416-Y441 PolarHBondContact OD1-OH 3.36Å; I419-Y441 HydrophobicContact CB-CE1 4.29Å; I419-Y441 HydrophobicContact CG2-CE1 3.97Å; I419-Y441 HydrophobicContact CG2-CE2 3.87Å; I419-Y441 VanDerWaalsContact CG2-CZ 3.48Å; I419-Y441 WeakPolarHBondContact CG2-OH 3.39Å; R420-Y441 HydrophobicContact CB-CD1 3.72Å; R420-Y441 HydrophobicContact CB-CE1 4.14Å; R420-Y441 HydrophobicContact CG-CD1 4.04Å; W423-Y441 HydrophobicContact CG-CG 4.47Å; V430-Y441 HydrophobicContact CB-CE2 4.32Å; V430-Y441 HydrophobicContact CG1-CE2 4.08Å; V430-Y441 HydrophobicContact CG2-CD2 4.44Å; V430-Y441 HydrophobicContact CG2-CE2 4.17Å; L439-Y441 HydrophobicContact CB-CD1 4.47Å; L439-Y441 HydrophobicContact CB-CD2 4.34Å; L439-Y441 HydrophobicContact CB-CE1 4Å; L439-Y441 HydrophobicContact CB-CE2 3.83Å; L439-Y441 HydrophobicContact CD1-CE2 3.95Å; L439-Y441 WeakPolarHBondContact O-CD1 3.48Å; L439-Y441 WeakPolarHBondContact O-CE1 3.2Å; L439-Y441 PolarHBondContact O-N 3.48Å
442	T	97.9	Very high	96.6	Very high	98 Å²	98	39.7 Å²	39.7	60%	0.601	23%	0.225	S	C	*	.			trans	-78.1	144.8	176.9	58.4	0	0	0	0	111.1	W423	W423-T442 HydrophobicContact CZ2-CG2 4.37Å; W423-T442 WeakPolarHBondContact CZ2-OG1 3.39Å; W423-T442 PolarHBondContact NE1-OG1 3.49Å; W423-T442 VanDerWaalsContact NE1-OG1 3.13Å
443	Y	98.3	Very high	96.5	Very high	54 Å²	54	39.7 Å²	39.7	21%	0.212	23%	0.225	C	C	.	.			trans	-149.8	156.9	177.5	61.6	-93.1	0	0	0	110.7	V430 L432 V437 L439 H445	V430-Y443 CarbonylContact O-C 3.48Å; V430-Y443 VanDerWaalsContact O-CA 3.25Å; V430-Y443 WeakPolarHBondContact O-CA 3.42Å; V430-Y443 WeakPolarHBondContact O-CB 3.49Å; L432-Y443 HydrophobicContact CB-CD2 3.69Å; L432-Y443 HydrophobicContact CB-CE2 3.84Å; L432-Y443 HydrophobicContact CD2-CD2 4.36Å; L432-Y443 HydrophobicContact CD2-CE2 3.74Å; L432-Y443 HydrophobicContact CG-CE2 4.42Å; V437-Y443 PolarHBondContact N-OH 3.26Å; V437-Y443 WeakPolarHBondContact O-CE1 3.43Å; V437-Y443 PolarHBondContact O-OH 3.02Å; L439-Y443 HydrophobicContact CB-CD1 4.33Å; L439-Y443 HydrophobicContact CB-CE1 4.31Å; L439-Y443 HydrophobicContact CD1-CD1 3.85Å; L439-Y443 HydrophobicContact CD1-CE1 4.01Å; L439-Y443 HydrophobicContact CD1-CG 4.36Å; L439-Y443 HydrophobicContact CG-CD1 4.27Å; L439-Y443 HydrophobicContact CG-CE1 4.05Å; Y443-H445 HydrophobicContact CD2-CB 4.31Å; Y443-H445 HydrophobicContact CE2-CB 3.88Å; Y443-H445 PolarHBondContact O-N 3.45Å
444	D	98	Very high	96.2	Very high	75 Å²	75	42.9 Å²	42.9	40%	0.401	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	107.3	172.6	-67	-30.5	0	0	0	109.4	Q429 V430 A431 L432 L446	Q429-D444 PolarHBondContact NE2-OD2 3.32Å; V430-D444 PolarHBondContact O-N 3.34Å; A431-D444 CarbonylContact C-O 3.54Å; A431-D444 VanDerWaalsContact CA-O 3.23Å; A431-D444 WeakPolarHBondContact CA-O 3.32Å; A431-D444 HydrophobicContact CB-CB 4.08Å; L432-D444 PolarHBondContact N-O 3.15Å; D444-L446 HydrophobicContact CB-CD2 4.14Å; D444-L446 PolarHBondContact O-N 3Å
445	H	98.1	Very high	96.2	Very high	89 Å²	89	45.1 Å²	45.1	41%	0.412	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	110.1	174.3	-174	-118.8	0	0	0	109.8	G434 Y443	G434-H445 PolarHBondContact O-NE2 2.89Å; Y443-H445 HydrophobicContact CD2-CB 4.31Å; Y443-H445 HydrophobicContact CE2-CB 3.88Å; Y443-H445 PolarHBondContact O-N 3.45Å
446	L	97.1	Very high	96.1	Very high	33 Å²	33	44.3 Å²	44.3	17%	0.173	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	-13.3	-176.2	-52.9	-171.2	0	0	0	112.6	L402 A431 L432 V433 D444 I452 I456 F463	L402-L446 HydrophobicContact CD1-CD1 4.05Å; A431-L446 HydrophobicContact CB-CD1 4.01Å; A431-L446 HydrophobicContact CB-CD2 4.25Å; A431-L446 HydrophobicContact CB-CG 4.08Å; L432-L446 PolarHBondContact O-N 3.38Å; V433-L446 HydrophobicContact CG2-CB 4Å; V433-L446 HydrophobicContact CG2-CD1 3.9Å; V433-L446 HydrophobicContact CG2-CG 4.35Å; D444-L446 HydrophobicContact CB-CD2 4.14Å; D444-L446 PolarHBondContact O-N 3Å; L446-I452 HydrophobicContact CB-CG2 4.36Å; L446-I452 VanDerWaalsContact O-CD1 3.23Å; L446-I452 WeakPolarHBondContact O-CD1 3.1Å; L446-I456 HydrophobicContact CD1-CD1 4.08Å; L446-F463 HydrophobicContact CD1-CB 3.86Å; L446-F463 HydrophobicContact CD1-CD1 3.8Å; L446-F463 HydrophobicContact CD1-CD2 4.26Å; L446-F463 HydrophobicContact CD1-CE1 4.43Å; L446-F463 HydrophobicContact CD1-CG 3.7Å; L446-F463 HydrophobicContact CD2-CB 4.37Å; L446-F463 HydrophobicContact CD2-CD2 4.27Å; L446-F463 HydrophobicContact CD2-CG 4.37Å
447	G	96.3	Very high	96	Very high	16 Å²	16	41.8 Å²	41.8	17%	0.165	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121	174.3	-175.3	0	0	0	0	0	112.2	V433 G434	V433-G447 CarbonylContact C-O 3.52Å; V433-G447 WeakPolarHBondContact CA-O 3.43Å; G434-G447 PolarHBondContact N-O 2.87Å
448	D	94.4	Very high	95.8	Very high	74 Å²	74	44.6 Å²	44.6	40%	0.396	25%	0.245	S	C	.	.	S	Bend	trans	-106.5	-13.3	-174.2	58.6	-3.2	0	0	0	114.1	P684 L685	D448-P684 HydrophobicContact CB-CB 3.99Å; D448-P684 WeakPolarHBondContact O-CA 3.47Å; D448-L685 PolarHBondContact O-N 2.91Å
449	S	95.4	Very high	95.6	Very high	39 Å²	39	40.8 Å²	40.8	27%	0.273	23%	0.231	S	C	.	.			trans	-74.2	133.1	-178.7	-176.1	0	0	0	0	112.6	Q451 I452	S449-Q451 PolarHBondContact O-N 3.42Å; S449-Q451 VanDerWaalsContact O-N 3.1Å; S449-Q451 WeakPolarHBondContact OG-CB 3.3Å; S449-Q451 PolarHBondContact OG-N 3.3Å; S449-I452 WeakPolarHBondContact O-CB 3.38Å; S449-I452 WeakPolarHBondContact O-CD1 3.47Å; S449-I452 PolarHBondContact O-N 3.35Å
450	P	93.8	Very high	95.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.4	170.6	-21.9	30.2	0	0	0	113.9	I452 L453 L680 D683 L685	P450-I452 PolarHBondContact O-N 3.15Å; P450-L453 VanDerWaalsContact O-CB 3.23Å; P450-L453 WeakPolarHBondContact O-CB 3.39Å; P450-L453 WeakPolarHBondContact O-CG 3.39Å; P450-L453 PolarHBondContact O-N 2.89Å; P450-L680 HydrophobicContact CB-CB 4.23Å; P450-L680 HydrophobicContact CB-CD1 4.01Å; P450-L680 HydrophobicContact CB-CD2 4.22Å; P450-L680 HydrophobicContact CB-CG 4.4Å; P450-L680 WeakPolarHBondContact O-CD1 3.38Å; P450-D683 WeakPolarHBondContact CD-O 3.42Å; P450-D683 VanDerWaalsContact CG-O 3.24Å; P450-D683 WeakPolarHBondContact CG-O 3.31Å; P450-L685 HydrophobicContact CG-CD1 4.48Å; P450-L685 HydrophobicContact CG-CD2 4.25Å; P450-L685 HydrophobicContact CG-CG 3.99Å
451	Q	93.7	Very high	95.4	Very high	86 Å²	86	49.9 Å²	49.9	40%	0.402	27%	0.27	S	S	.	.	H	α-helix	trans	-59.5	-29.3	179.5	-167.1	58.3	39.8	0	0	112.4	S449 L453 Q454 D455	S449-Q451 PolarHBondContact O-N 3.42Å; S449-Q451 VanDerWaalsContact O-N 3.1Å; S449-Q451 WeakPolarHBondContact OG-CB 3.3Å; S449-Q451 PolarHBondContact OG-N 3.3Å; Q451-L453 PolarHBondContact O-N 3.48Å; Q451-Q454 WeakPolarHBondContact O-CB 3.44Å; Q451-Q454 PolarHBondContact O-N 2.87Å; Q451-D455 PolarHBondContact O-N 3.13Å; Q451-D455 VanDerWaalsContact O-N 3.09Å
452	I	95.8	Very high	95.3	Very high	20 Å²	20	52.9 Å²	52.9	10%	0.103	30%	0.297	C	S	.	.	H	α-helix	trans	-59.1	-33.1	175	-62.9	159.6	0	0	0	110.9	V433 L446 S449 P450 Q454 D455 I456	V433-I452 HydrophobicContact CG1-CB 4.22Å; V433-I452 HydrophobicContact CG1-CD1 4.48Å; V433-I452 HydrophobicContact CG1-CG2 4.32Å; V433-I452 HydrophobicContact CG2-CG2 4.06Å; L446-I452 HydrophobicContact CB-CG2 4.36Å; L446-I452 VanDerWaalsContact O-CD1 3.23Å; L446-I452 WeakPolarHBondContact O-CD1 3.1Å; S449-I452 WeakPolarHBondContact O-CB 3.38Å; S449-I452 WeakPolarHBondContact O-CD1 3.47Å; S449-I452 PolarHBondContact O-N 3.35Å; P450-I452 PolarHBondContact O-N 3.15Å; I452-Q454 VanDerWaalsContact C-N 3.3Å; I452-Q454 PolarHBondContact O-N 2.86Å; I452-D455 PolarHBondContact O-N 3.13Å; I452-I456 HydrophobicContact CG2-CD1 3.82Å; I452-I456 HydrophobicContact CG2-CG1 4.21Å; I452-I456 VanDerWaalsContact O-CG1 3.29Å; I452-I456 WeakPolarHBondContact O-CG1 3.39Å; I452-I456 PolarHBondContact O-N 3.12Å
453	L	95.6	Very high	95.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-37.8	176	-56.8	179.2	0	0	0	111.5	I404 V433 P450 Q451 A457 I490 A493 I497 L685	I404-L453 HydrophobicContact CD1-CD2 3.85Å; I404-L453 HydrophobicContact CG1-CD2 4.1Å; I404-L453 HydrophobicContact CG2-CD1 4.02Å; I404-L453 HydrophobicContact CG2-CD2 3.81Å; V433-L453 HydrophobicContact CB-CD2 4.39Å; V433-L453 HydrophobicContact CG1-CD2 4.05Å; V433-L453 HydrophobicContact CG1-CG 4.48Å; V433-L453 HydrophobicContact CG2-CD2 4.44Å; P450-L453 VanDerWaalsContact O-CB 3.23Å; P450-L453 WeakPolarHBondContact O-CB 3.39Å; P450-L453 WeakPolarHBondContact O-CG 3.39Å; P450-L453 PolarHBondContact O-N 2.89Å; Q451-L453 PolarHBondContact O-N 3.48Å; L453-A457 WeakPolarHBondContact O-CB 3.15Å; L453-A457 PolarHBondContact O-N 3Å; L453-I490 HydrophobicContact CD1-CG2 3.99Å; L453-A493 HydrophobicContact CB-CB 4.06Å; L453-I497 HydrophobicContact CB-CD1 4.3Å; L453-I497 HydrophobicContact CD2-CD1 4.16Å; L453-L685 HydrophobicContact CD1-CD1 4.36Å
454	Q	93.2	Very high	95	Very high	67 Å²	67	46.3 Å²	46.3	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-70.3	-37.1	174.6	-62.5	-175.5	3.2	0	0	111.6	Q451 I452 A457 S458 L680	Q451-Q454 WeakPolarHBondContact O-CB 3.44Å; Q451-Q454 PolarHBondContact O-N 2.87Å; I452-Q454 VanDerWaalsContact C-N 3.3Å; I452-Q454 PolarHBondContact O-N 2.86Å; Q454-A457 PolarHBondContact O-N 3.36Å; Q454-S458 VanDerWaalsContact O-CB 3.29Å; Q454-S458 WeakPolarHBondContact O-CB 3.44Å; Q454-S458 PolarHBondContact O-N 2.54Å; Q454-S458 PolarHBondContact O-OG 2.78Å; Q454-L680 HydrophobicContact CG-CD1 3.57Å
455	D	95.1	Very high	94.8	Very high	48 Å²	48	49.5 Å²	49.5	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-69	-35.6	177.8	-68.1	-27.7	0	0	0	112.1	Q451 I452 S458 G459 K460 H461	Q451-D455 PolarHBondContact O-N 3.13Å; Q451-D455 VanDerWaalsContact O-N 3.09Å; I452-D455 PolarHBondContact O-N 3.13Å; D455-S458 PolarHBondContact O-OG 2.94Å; D455-G459 PolarHBondContact O-N 3.01Å; D455-K460 HydrophobicContact CB-CB 4.43Å; D455-K460 PolarHBondContact O-N 3.24Å; D455-H461 HydrophobicContact CB-CB 3.98Å; D455-H461 PolarHBondContact O-N 3.14Å
456	I	95.7	Very high	94.6	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-69.7	-46.9	171	-63.4	168.5	0	0	0	109.9	L402 V433 L446 I452 S458 G459 H461 L467 I497	L402-I456 HydrophobicContact CD2-CD1 4.34Å; V433-I456 HydrophobicContact CG2-CD1 4.21Å; L446-I456 HydrophobicContact CD1-CD1 4.08Å; I452-I456 HydrophobicContact CG2-CD1 3.82Å; I452-I456 HydrophobicContact CG2-CG1 4.21Å; I452-I456 VanDerWaalsContact O-CG1 3.29Å; I452-I456 WeakPolarHBondContact O-CG1 3.39Å; I452-I456 PolarHBondContact O-N 3.12Å; I456-S458 VanDerWaalsContact C-N 3.27Å; I456-S458 PolarHBondContact O-N 3.18Å; I456-G459 PolarHBondContact O-N 3.2Å; I456-H461 HydrophobicContact CG1-CB 3.73Å; I456-L467 HydrophobicContact CG2-CD1 3.98Å; I456-I497 HydrophobicContact CB-CD1 4.04Å; I456-I497 HydrophobicContact CB-CG1 4.3Å; I456-I497 HydrophobicContact CG2-CD1 3.93Å; I456-I497 HydrophobicContact CG2-CG1 3.9Å; I456-I497 HydrophobicContact CG2-CG2 3.83Å
457	A	92.8	Very high	94.4	Very high	19 Å²	19	45.7 Å²	45.7	16%	0.157	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-36.1	179.5	0	0	0	0	0	112.7	L453 Q454 T496 I497 N500	L453-A457 WeakPolarHBondContact O-CB 3.15Å; L453-A457 PolarHBondContact O-N 3Å; Q454-A457 PolarHBondContact O-N 3.36Å; A457-T496 HydrophobicContact CB-CG2 4.13Å; A457-I497 HydrophobicContact CB-CG1 3.89Å; A457-N500 PolarHBondContact O-ND2 2.71Å
458	S	92.5	Very high	94.2	Very high	70 Å²	70	46.8 Å²	46.8	49%	0.49	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.5	177.3	62.3	0	0	0	0	114.3	Q454 D455 I456 K460	Q454-S458 VanDerWaalsContact O-CB 3.29Å; Q454-S458 WeakPolarHBondContact O-CB 3.44Å; Q454-S458 PolarHBondContact O-N 2.54Å; Q454-S458 PolarHBondContact O-OG 2.78Å; D455-S458 PolarHBondContact O-OG 2.94Å; I456-S458 VanDerWaalsContact C-N 3.27Å; I456-S458 PolarHBondContact O-N 3.18Å; S458-K460 VanDerWaalsContact C-N 3.32Å
459	G	92.1	Very high	94.1	Very high	29 Å²	29	50.9 Å²	50.9	30%	0.299	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	12.9	-179.1	0	0	0	0	0	115.3	D455 I456	D455-G459 PolarHBondContact O-N 3.01Å; I456-G459 PolarHBondContact O-N 3.2Å
460	K	94.5	Very high	94	Very high	166 Å²	166	49.1 Å²	49.1	72%	0.722	26%	0.263	S	S	*	.			trans	-77.4	-34.1	176.3	-67.5	178.4	-175.7	173.8	0	112.2	D455 S458	D455-K460 HydrophobicContact CB-CB 4.43Å; D455-K460 PolarHBondContact O-N 3.24Å; S458-K460 VanDerWaalsContact C-N 3.32Å
461	H	96.3	Very high	94	Very high	48 Å²	48	57.4 Å²	57.4	22%	0.222	30%	0.299	C	S	.	.	S	Bend	trans	-72.8	141.9	-178.8	-163.8	-96.4	0	0	0	111.5	D455 I456 F463 S464	D455-H461 HydrophobicContact CB-CB 3.98Å; D455-H461 PolarHBondContact O-N 3.14Å; I456-H461 HydrophobicContact CG1-CB 3.73Å; H461-F463 VanDerWaalsContact C-N 3.25Å; H461-F463 VanDerWaalsContact ND1-CB 3.31Å; H461-F463 WeakPolarHBondContact ND1-CB 3.36Å; H461-F463 PolarHBondContact ND1-N 3.32Å; H461-F463 PolarHBondContact O-N 3.44Å; H461-S464 WeakPolarHBondContact O-CB 3.5Å; H461-S464 PolarHBondContact O-N 3.23Å
462	A	95.1	Very high	94	Very high	75 Å²	75	56.8 Å²	56.8	62%	0.62	30%	0.295	S	S	*	.	H	α-helix	trans	-57.7	-38.7	-178.8	0	0	0	0	0	112.5	S464 K465	A462-S464 PolarHBondContact O-N 3.35Å; A462-K465 PolarHBondContact O-N 3.11Å; A462-K465 VanDerWaalsContact O-N 3.13Å
463	F	94.9	Very high	94.1	Very high	9 Å²	9	55.9 Å²	55.9	4%	0.039	29%	0.29	C	S	.	.	H	α-helix	trans	-64.2	-21.1	179	-164	-102.2	0	0	0	113.9	I400 L402 A431 L446 H461 K465 V466 L467	I400-F463 HydrophobicContact CG2-CE1 4.39Å; I400-F463 HydrophobicContact CG2-CZ 3.71Å; L402-F463 HydrophobicContact CB-CE1 4.15Å; L402-F463 HydrophobicContact CD1-CD1 4.35Å; L402-F463 HydrophobicContact CD1-CE1 3.92Å; L402-F463 HydrophobicContact CD2-CE1 4.42Å; L402-F463 HydrophobicContact CG-CE1 4.38Å; A431-F463 HydrophobicContact CB-CD2 4.12Å; A431-F463 HydrophobicContact CB-CE1 3.93Å; A431-F463 HydrophobicContact CB-CE2 3.45Å; A431-F463 VanDerWaalsContact CB-CE2 3.45Å; A431-F463 HydrophobicContact CB-CZ 3.33Å; L446-F463 HydrophobicContact CD1-CB 3.86Å; L446-F463 HydrophobicContact CD1-CD1 3.8Å; L446-F463 HydrophobicContact CD1-CD2 4.26Å; L446-F463 HydrophobicContact CD1-CE1 4.43Å; L446-F463 HydrophobicContact CD1-CG 3.7Å; L446-F463 HydrophobicContact CD2-CB 4.37Å; L446-F463 HydrophobicContact CD2-CD2 4.27Å; L446-F463 HydrophobicContact CD2-CG 4.37Å; H461-F463 VanDerWaalsContact C-N 3.25Å; H461-F463 VanDerWaalsContact ND1-CB 3.31Å; H461-F463 WeakPolarHBondContact ND1-CB 3.36Å; H461-F463 PolarHBondContact ND1-N 3.32Å; H461-F463 PolarHBondContact O-N 3.44Å; F463-K465 PolarHBondContact O-N 3.33Å; F463-V466 HydrophobicContact CD2-CB 4.14Å; F463-V466 HydrophobicContact CD2-CG1 4.34Å; F463-V466 HydrophobicContact CD2-CG2 4.39Å; F463-V466 HydrophobicContact CE2-CB 4.31Å; F463-V466 HydrophobicContact CE2-CG1 4.03Å; F463-V466 WeakPolarHBondContact O-CB 3.32Å; F463-V466 PolarHBondContact O-N 2.97Å; F463-V466 VanDerWaalsContact O-N 3.14Å; F463-L467 HydrophobicContact CD1-CD1 3.87Å; F463-L467 HydrophobicContact CD1-CG 3.88Å; F463-L467 HydrophobicContact CE1-CD1 3.85Å; F463-L467 HydrophobicContact CE1-CD2 3.87Å; F463-L467 HydrophobicContact CE1-CG 3.6Å; F463-L467 HydrophobicContact CZ-CD2 4.48Å; F463-L467 HydrophobicContact CZ-CG 4.45Å; F463-L467 PolarHBondContact O-N 3.24Å
464	S	94.4	Very high	94.2	Very high	6 Å²	6	55.9 Å²	55.9	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-61.7	-35.2	173.8	178.8	0	0	0	0	111.6	H461 A462 V466 L467 D468	H461-S464 WeakPolarHBondContact O-CB 3.5Å; H461-S464 PolarHBondContact O-N 3.23Å; A462-S464 PolarHBondContact O-N 3.35Å; S464-V466 VanDerWaalsContact C-N 3.3Å; S464-V466 PolarHBondContact O-N 3.4Å; S464-L467 PolarHBondContact O-N 2.86Å; S464-D468 WeakPolarHBondContact O-CB 3.44Å; S464-D468 PolarHBondContact O-N 3.32Å
465	K	93.3	Very high	94.4	Very high	141 Å²	141	52.7 Å²	52.7	61%	0.613	28%	0.276	S	S	*	.	H	α-helix	trans	-68.9	-32.8	177.7	-64	179.9	-178.7	176.1	0	111.8	A462 F463 D468 Q469	A462-K465 PolarHBondContact O-N 3.11Å; A462-K465 VanDerWaalsContact O-N 3.13Å; F463-K465 PolarHBondContact O-N 3.33Å; K465-D468 PolarHBondContact O-N 2.76Å; K465-Q469 VanDerWaalsContact O-CG 3.28Å; K465-Q469 WeakPolarHBondContact O-CG 3.18Å; K465-Q469 PolarHBondContact O-N 3.39Å
466	V	95.1	Very high	94.6	Very high	41 Å²	41	50.4 Å²	50.4	25%	0.248	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-48.4	176.3	179.1	0	0	0	0	109.5	I400 F463 S464 D468 Q469 A470	I400-V466 HydrophobicContact CD1-CG1 3.48Å; I400-V466 VanDerWaalsContact CD1-CG1 3.48Å; I400-V466 WeakPolarHBondContact CD1-O 3.41Å; I400-V466 HydrophobicContact CG1-CG1 4.21Å; F463-V466 HydrophobicContact CD2-CB 4.14Å; F463-V466 HydrophobicContact CD2-CG1 4.34Å; F463-V466 HydrophobicContact CD2-CG2 4.39Å; F463-V466 HydrophobicContact CE2-CB 4.31Å; F463-V466 HydrophobicContact CE2-CG1 4.03Å; F463-V466 WeakPolarHBondContact O-CB 3.32Å; F463-V466 PolarHBondContact O-N 2.97Å; F463-V466 VanDerWaalsContact O-N 3.14Å; S464-V466 VanDerWaalsContact C-N 3.3Å; S464-V466 PolarHBondContact O-N 3.4Å; V466-D468 VanDerWaalsContact C-N 3.33Å; V466-D468 PolarHBondContact O-N 3.18Å; V466-Q469 PolarHBondContact O-N 2.91Å; V466-A470 PolarHBondContact O-N 3.39Å; V466-A470 VanDerWaalsContact O-N 3.16Å
467	L	93.4	Very high	94.7	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-38.4	173.8	-73.2	172.6	0	0	0	113.4	I400 L402 I456 F463 S464 Q469 A470 P473 I497 A501	I400-L467 HydrophobicContact CG2-CD2 3.79Å; L402-L467 HydrophobicContact CD2-CD1 4.11Å; I456-L467 HydrophobicContact CG2-CD1 3.98Å; F463-L467 HydrophobicContact CD1-CD1 3.87Å; F463-L467 HydrophobicContact CD1-CG 3.88Å; F463-L467 HydrophobicContact CE1-CD1 3.85Å; F463-L467 HydrophobicContact CE1-CD2 3.87Å; F463-L467 HydrophobicContact CE1-CG 3.6Å; F463-L467 HydrophobicContact CZ-CD2 4.48Å; F463-L467 HydrophobicContact CZ-CG 4.45Å; F463-L467 PolarHBondContact O-N 3.24Å; S464-L467 PolarHBondContact O-N 2.86Å; L467-Q469 VanDerWaalsContact C-N 3.26Å; L467-Q469 PolarHBondContact O-N 3.5Å; L467-A470 WeakPolarHBondContact O-CB 3.43Å; L467-A470 PolarHBondContact O-N 3.2Å; L467-P473 HydrophobicContact CD2-CB 4.25Å; L467-I497 HydrophobicContact CD1-CG2 4.01Å; L467-A501 HydrophobicContact CB-CB 4.47Å
468	D	91	Very high	94.9	Very high	38 Å²	38	49.3 Å²	49.3	20%	0.203	26%	0.255	C	S	.	.	H	α-helix	trans	-67.7	-26.6	179.2	-68.6	-12.7	0	0	0	112.2	S464 K465 V466 K504 S505	S464-D468 WeakPolarHBondContact O-CB 3.44Å; S464-D468 PolarHBondContact O-N 3.32Å; K465-D468 PolarHBondContact O-N 2.76Å; V466-D468 VanDerWaalsContact C-N 3.33Å; V466-D468 PolarHBondContact O-N 3.18Å; D468-K504 HydrophobicContact CB-CB 4.26Å; D468-K504 HydrophobicContact CB-CD 4.31Å; D468-K504 WeakPolarHBondContact OD1-CD 3.1Å; D468-K504 IonicContact OD1-NZ 3.54Å; D468-K504 VanDerWaalsContact OD2-CD 3.23Å; D468-K504 WeakPolarHBondContact OD2-CD 3.39Å; D468-K504 IonicContact OD2-NZ 2.82Å; D468-K504 PolarHBondContact OD2-NZ 2.84Å; D468-S505 WeakPolarHBondContact O-CA 3.49Å
469	Q	92.5	Very high	95.1	Very high	160 Å²	160	46 Å²	46	75%	0.748	23%	0.232	S	C	*	.	H	α-helix	trans	-91.5	-12.3	178.9	-70.5	173.9	5.2	0	0	113.6	K465 V466 L467	K465-Q469 VanDerWaalsContact O-CG 3.28Å; K465-Q469 WeakPolarHBondContact O-CG 3.18Å; K465-Q469 PolarHBondContact O-N 3.39Å; V466-Q469 PolarHBondContact O-N 2.91Å; L467-Q469 VanDerWaalsContact C-N 3.26Å; L467-Q469 PolarHBondContact O-N 3.5Å
470	A	93.2	Very high	95.3	Very high	2 Å²	2	45.2 Å²	45.2	2%	0.017	22%	0.222	C	C	.	.			trans	-63.7	139.2	178.9	0	0	0	0	0	111.3	I400 V466 L467 P473 S505	I400-A470 HydrophobicContact CB-CB 4.2Å; I400-A470 HydrophobicContact CD1-CB 3.51Å; I400-A470 HydrophobicContact CG1-CB 4.31Å; V466-A470 PolarHBondContact O-N 3.39Å; V466-A470 VanDerWaalsContact O-N 3.16Å; L467-A470 WeakPolarHBondContact O-CB 3.43Å; L467-A470 PolarHBondContact O-N 3.2Å; A470-P473 HydrophobicContact CB-CB 3.77Å; A470-P473 HydrophobicContact CB-CG 4.12Å; A470-S505 WeakPolarHBondContact O-CB 3.27Å
471	K	93.1	Very high	95.3	Very high	174 Å²	174	37.6 Å²	37.6	76%	0.757	19%	0.19	S	C	*	.	S	Bend	trans	-84.7	-29.9	172.9	-64.1	178.6	-176.6	172.1	0	112.7	D399 V507	D399-K471 WeakPolarHBondContact OD2-CA 3.46Å; D399-K471 WeakPolarHBondContact OD2-CB 3.36Å; D399-K471 PolarHBondContact OD2-N 3.44Å; K471-V507 VanDerWaalsContact O-CG2 3.24Å; K471-V507 WeakPolarHBondContact O-CG2 3.43Å
472	K	95.3	Very high	95.3	Very high	74 Å²	74	35.4 Å²	35.4	32%	0.322	18%	0.18	S	C	.	.	S	Bend	trans	-140.5	63.4	179.8	-73.6	-174.1	170.7	-173.9	0	110.3	E397 A398 D399 W511	E397-K472 HydrophobicContact CB-CD 4.14Å; E397-K472 WeakPolarHBondContact O-CD 3.47Å; E397-K472 IonicContact OE2-NZ 2.66Å; E397-K472 PolarHBondContact OE2-NZ 3.29Å; A398-K472 WeakPolarHBondContact CA-O 3.4Å; D399-K472 PolarHBondContact N-O 3.34Å; D399-K472 WeakPolarHBondContact OD1-CA 3.39Å; D399-K472 PolarHBondContact OD1-N 3.12Å; D399-K472 PolarHBondContact OD2-N 2.89Å; K472-W511 HydrophobicContact CB-CD2 4.27Å; K472-W511 HydrophobicContact CB-CH2 4.43Å; K472-W511 HydrophobicContact CB-CZ2 3.97Å; K472-W511 HydrophobicContact CD-CD2 4.49Å; K472-W511 HydrophobicContact CD-CE3 4.22Å; K472-W511 HydrophobicContact CD-CH2 4.46Å; K472-W511 HydrophobicContact CD-CZ3 4.21Å; K472-W511 HydrophobicContact CG-CD2 4.24Å; K472-W511 HydrophobicContact CG-CE3 4.47Å
473	P	96.4	Very high	95.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	140.5	-179.9	27.2	-32.2	0	0	0	111	L467 A470 A501 V507 W511 V513	L467-P473 HydrophobicContact CD2-CB 4.25Å; A470-P473 HydrophobicContact CB-CB 3.77Å; A470-P473 HydrophobicContact CB-CG 4.12Å; P473-A501 HydrophobicContact CB-CB 4.48Å; P473-A501 HydrophobicContact CG-CB 4.3Å; P473-V507 HydrophobicContact CG-CG2 4.18Å; P473-W511 PolarHBondContact O-NE1 3.45Å; P473-V513 HydrophobicContact CB-CG1 4.46Å; P473-V513 HydrophobicContact CG-CG1 4.38Å; P473-V513 HydrophobicContact CG-CG2 4.18Å
474	M	97.5	Very high	95.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126	176	-175	170.7	173	0	0	109.5	L388 T390 V395 A398 I400 L401 L402 F415 V476	L388-M474 HydrophobicContact CD1-CE 3.68Å; T390-M474 HydrophobicContact CG2-CG 4.22Å; T390-M474 HydrophobicContact CG2-SD 4.27Å; T390-M474 WeakPolarHBondContact OG1-CE 3.46Å; V395-M474 HydrophobicContact CG2-CE 3.79Å; V395-M474 HydrophobicContact CG2-SD 3.97Å; A398-M474 HydrophobicContact CB-CB 4.04Å; A398-M474 HydrophobicContact CB-SD 4.34Å; I400-M474 PolarHBondContact O-N 3.14Å; L401-M474 CarbonylContact C-O 3.49Å; L401-M474 WeakPolarHBondContact CA-O 3.42Å; L401-M474 HydrophobicContact CD1-CB 3.91Å; L401-M474 HydrophobicContact CD1-CE 4.41Å; L401-M474 HydrophobicContact CD1-CG 3.66Å; L401-M474 HydrophobicContact CD1-SD 3.99Å; L402-M474 PolarHBondContact N-O 3.22Å; F415-M474 HydrophobicContact CE2-CE 4.01Å; F415-M474 HydrophobicContact CZ-CE 3.84Å; M474-V476 HydrophobicContact CE-CG2 3.5Å; M474-V476 VanDerWaalsContact CE-CG2 3.5Å; M474-V476 HydrophobicContact CG-CG2 4.05Å
475	V	98.1	Very high	95.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119.5	178.4	-177.9	0	0	0	0	108.5	L402 I404 V494 I497 V513 N515	L402-V475 HydrophobicContact CB-CG2 4.38Å; L402-V475 HydrophobicContact CD2-CG1 4.29Å; I404-V475 HydrophobicContact CD1-CG1 3.78Å; V475-V494 HydrophobicContact CG1-CG1 3.63Å; V475-I497 HydrophobicContact CG2-CG2 4.33Å; V475-V513 HydrophobicContact CB-CG1 4.41Å; V475-V513 HydrophobicContact CG2-CG1 3.86Å; V475-V513 PolarHBondContact N-O 2.71Å; V475-N515 WeakPolarHBondContact O-CB 3.38Å; V475-N515 PolarHBondContact O-N 3.45Å
476	V	98.6	Very high	95.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.6	-176.5	-179.5	0	0	0	0	109.3	L388 L401 L402 L403 I404 F415 M474 N515 L517	L388-V476 HydrophobicContact CD1-CG2 4.49Å; L401-V476 HydrophobicContact CD1-CB 4.45Å; L401-V476 HydrophobicContact CD1-CG2 3.68Å; L402-V476 PolarHBondContact O-N 3.29Å; L403-V476 CarbonylContact C-O 3.58Å; L403-V476 WeakPolarHBondContact CA-O 3.31Å; L403-V476 HydrophobicContact CD2-CB 4.07Å; L403-V476 HydrophobicContact CD2-CG1 4.37Å; I404-V476 PolarHBondContact N-O 3.47Å; F415-V476 HydrophobicContact CE1-CG1 4.3Å; F415-V476 HydrophobicContact CZ-CG1 4.48Å; F415-V476 HydrophobicContact CZ-CG2 4.11Å; M474-V476 HydrophobicContact CE-CG2 3.5Å; M474-V476 VanDerWaalsContact CE-CG2 3.5Å; M474-V476 HydrophobicContact CG-CG2 4.05Å; V476-N515 WeakPolarHBondContact CA-O 3.34Å; V476-N515 HydrophobicContact CB-CB 4.49Å; V476-N515 HydrophobicContact CG2-CB 3.93Å; V476-L517 HydrophobicContact CG1-CB 3.79Å
477	V	98.1	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.4	169.6	62.7	0	0	0	0	110	I404 A481 L482 I490 V494 M514 N515 I516 L517	I404-V477 HydrophobicContact CB-CB 4.18Å; I404-V477 HydrophobicContact CB-CG2 4.19Å; I404-V477 HydrophobicContact CG2-CG2 4.09Å; V477-A481 HydrophobicContact CG2-CB 4.27Å; V477-L482 HydrophobicContact CG2-CD2 4.22Å; V477-L482 HydrophobicContact CG2-CG 4.5Å; V477-I490 HydrophobicContact CG2-CG2 4.32Å; V477-V494 HydrophobicContact CB-CG1 4.27Å; V477-V494 HydrophobicContact CB-CG2 4.15Å; V477-V494 HydrophobicContact CG1-CG1 4.23Å; V477-V494 HydrophobicContact CG1-CG2 4.48Å; V477-V494 HydrophobicContact CG2-CG2 4.24Å; V477-M514 HydrophobicContact CG1-CE 4.02Å; V477-N515 PolarHBondContact N-O 3.5Å; V477-I516 HydrophobicContact CG1-CB 4.48Å; V477-I516 HydrophobicContact CG1-CD1 4.33Å; V477-I516 HydrophobicContact CG1-CG1 3.38Å; V477-I516 WeakPolarHBondContact O-CA 3.03Å; V477-L517 PolarHBondContact O-N 2.74Å
478	G	97.7	Very high	95.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	140.9	174.6	0	0	0	0	0	112	I404 A480 A481	I404-G478 PolarHBondContact O-N 2.97Å; I404-G478 VanDerWaalsContact O-N 3.08Å; G478-A480 PolarHBondContact O-N 3.24Å; G478-A481 PolarHBondContact O-N 3.47Å; G478-A481 VanDerWaalsContact O-N 3.12Å
479	S	96.8	Very high	95.3	Very high	2 Å²	2	31 Å²	31	1%	0.014	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.2	171.8	70.4	0	0	0	0	112	E371 A481 L482 Q483 L517	E371-S479 WeakPolarHBondContact OE1-CB 3.25Å; E371-S479 PolarHBondContact OE1-OG 2.68Å; S479-A481 PolarHBondContact O-N 2.91Å; S479-L482 WeakPolarHBondContact O-CB 3.27Å; S479-L482 PolarHBondContact O-N 3.31Å; S479-L482 VanDerWaalsContact O-N 3.14Å; S479-Q483 PolarHBondContact O-N 3.18Å; S479-Q483 PolarHBondContact O-NE2 2.92Å; S479-L517 WeakPolarHBondContact CB-O 3.31Å; S479-L517 PolarHBondContact N-O 2.74Å
480	A	95.3	Very high	95.4	Very high	11 Å²	11	23.4 Å²	23.4	9%	0.091	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-40.3	175.7	0	0	0	0	0	113.5	E411 G478 L482 Q483 P688	E411-A480 VanDerWaalsContact OE1-CB 3.22Å; E411-A480 WeakPolarHBondContact OE1-CB 3.12Å; G478-A480 PolarHBondContact O-N 3.24Å; A480-L482 PolarHBondContact O-N 2.85Å; A480-Q483 WeakPolarHBondContact O-CB 3.36Å; A480-Q483 WeakPolarHBondContact O-CG 3.43Å; A480-Q483 PolarHBondContact O-N 2.83Å; A480-Q483 VanDerWaalsContact O-N 3.15Å; A480-P688 VanDerWaalsContact CB-CD 3.46Å; A480-P688 HydrophobicContact CB-CG 3.83Å
481	A	96	Very high	95.5	Very high	6 Å²	6	23.8 Å²	23.8	5%	0.05	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-64.4	-29	175.7	0	0	0	0	0	112	V477 G478 S479 Q483 R484 L685	V477-A481 HydrophobicContact CG2-CB 4.27Å; G478-A481 PolarHBondContact O-N 3.47Å; G478-A481 VanDerWaalsContact O-N 3.12Å; S479-A481 PolarHBondContact O-N 2.91Å; A481-Q483 VanDerWaalsContact C-N 3.26Å; A481-Q483 PolarHBondContact O-N 3.09Å; A481-R484 PolarHBondContact O-N 2.77Å; A481-L685 HydrophobicContact CB-CD2 4.32Å
482	L	95.6	Very high	95.6	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-77.1	-9.6	178.6	-56	-178.3	0	0	0	113.3	F373 P374 V477 S479 A480 R484 I490 H491 I516	F373-L482 HydrophobicContact CD2-CD1 3.89Å; F373-L482 HydrophobicContact CE2-CD1 3.81Å; P374-L482 HydrophobicContact CG-CD2 4.45Å; V477-L482 HydrophobicContact CG2-CD2 4.22Å; V477-L482 HydrophobicContact CG2-CG 4.5Å; S479-L482 WeakPolarHBondContact O-CB 3.27Å; S479-L482 PolarHBondContact O-N 3.31Å; S479-L482 VanDerWaalsContact O-N 3.14Å; A480-L482 PolarHBondContact O-N 2.85Å; L482-R484 PolarHBondContact O-N 2.82Å; L482-I490 HydrophobicContact CD2-CG2 4.29Å; L482-H491 HydrophobicContact CD2-CB 4.02Å; L482-I516 HydrophobicContact CD1-CG1 4.44Å
483	Q	94.8	Very high	95.5	Very high	56 Å²	56	13.2 Å²	13.2	26%	0.262	8%	0.082	S	C	.	.	G	3₁₀ helix	trans	-72.9	-16.8	173.9	-54.9	-49.8	-64.5	0	0	113	V372 S479 A480 A481	V372-Q483 PolarHBondContact O-NE2 3.08Å; S479-Q483 PolarHBondContact O-N 3.18Å; S479-Q483 PolarHBondContact O-NE2 2.92Å; A480-Q483 WeakPolarHBondContact O-CB 3.36Å; A480-Q483 WeakPolarHBondContact O-CG 3.43Å; A480-Q483 PolarHBondContact O-N 2.83Å; A480-Q483 VanDerWaalsContact O-N 3.15Å; A481-Q483 VanDerWaalsContact C-N 3.26Å; A481-Q483 PolarHBondContact O-N 3.09Å
484	R	93.8	Very high	95.5	Very high	48 Å²	48	13.2 Å²	13.2	18%	0.181	8%	0.082	C	C	.	.	S	Bend	trans	-63.8	154.7	177.8	-68.3	170.6	48.7	148.9	-5.8	110.6	A481 L482 D486 G487 D683 P684	A481-R484 PolarHBondContact O-N 2.77Å; L482-R484 PolarHBondContact O-N 2.82Å; R484-D486 WeakPolarHBondContact CB-OD1 3.28Å; R484-D486 IonicContact CZ-OD1 3.42Å; R484-D486 IonicContact CZ-OD2 3.7Å; R484-D486 IonicContact NE-OD1 2.77Å; R484-D486 PolarHBondContact NE-OD1 3.16Å; R484-D486 IonicContact NE-OD2 2.74Å; R484-D486 IonicContact NH2-OD1 3.18Å; R484-D486 PolarHBondContact NH2-OD1 3.28Å; R484-D486 IonicContact NH2-OD2 2.81Å; R484-D486 PolarHBondContact NH2-OD2 3.07Å; R484-D486 PolarHBondContact O-N 3.42Å; R484-G487 PolarHBondContact O-N 3.23Å; R484-D683 PolarHBondContact NH1-O 3.38Å; R484-D683 PolarHBondContact NH2-O 3.26Å; R484-P684 PolarHBondContact NH1-O 3.44Å; R484-P684 VanDerWaalsContact NH1-O 3.07Å
485	S	91.9	Very high	95.3	Very high	94 Å²	94	13.6 Å²	13.6	66%	0.657	9%	0.085	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.5	177.5	52.6	0	0	0	0	112.8	Q678 L681	S485-Q678 PolarHBondContact O-NE2 3.44Å; S485-L681 WeakPolarHBondContact OG-CD1 3.4Å
486	D	94	Very high	95.1	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	18.4	172.2	65.1	-26.8	0	0	0	114.8	R484 A488 A489 I490 L681	R484-D486 WeakPolarHBondContact CB-OD1 3.28Å; R484-D486 IonicContact CZ-OD1 3.42Å; R484-D486 IonicContact CZ-OD2 3.7Å; R484-D486 IonicContact NE-OD1 2.77Å; R484-D486 PolarHBondContact NE-OD1 3.16Å; R484-D486 IonicContact NE-OD2 2.74Å; R484-D486 IonicContact NH2-OD1 3.18Å; R484-D486 PolarHBondContact NH2-OD1 3.28Å; R484-D486 IonicContact NH2-OD2 2.81Å; R484-D486 PolarHBondContact NH2-OD2 3.07Å; R484-D486 PolarHBondContact O-N 3.42Å; D486-A488 PolarHBondContact O-N 3Å; D486-A488 VanDerWaalsContact O-N 3.12Å; D486-A489 WeakPolarHBondContact O-CB 3.41Å; D486-A489 PolarHBondContact O-N 3.31Å; D486-I490 PolarHBondContact O-N 3.04Å; D486-I490 VanDerWaalsContact O-N 3.11Å; D486-L681 HydrophobicContact CB-CD1 4.11Å; D486-L681 HydrophobicContact CB-CG 3.86Å; D486-L681 WeakPolarHBondContact OD2-CB 3.49Å; D486-L681 PolarHBondContact OD2-N 3.44Å
487	G	94.1	Very high	94.9	Very high	3 Å²	3	15.5 Å²	15.5	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-54.1	-32.4	-179.5	0	0	0	0	0	114.4	R484 I490 H491	R484-G487 PolarHBondContact O-N 3.23Å; G487-I490 PolarHBondContact O-N 3.46Å; G487-H491 WeakPolarHBondContact O-CB 3.4Å; G487-H491 PolarHBondContact O-N 3.36Å
488	A	93.9	Very high	94.7	Very high	10 Å²	10	15.7 Å²	15.7	8%	0.083	10%	0.098	C	C	.	.	H	α-helix	trans	-72.1	-33.6	176.7	0	0	0	0	0	112.9	P374 A376 D486 A492 V676	P374-A488 VanDerWaalsContact CB-CA 3.49Å; P374-A488 HydrophobicContact CB-CB 3.57Å; A376-A488 HydrophobicContact CB-CB 4.03Å; D486-A488 PolarHBondContact O-N 3Å; D486-A488 VanDerWaalsContact O-N 3.12Å; A488-A492 WeakPolarHBondContact O-CB 3.18Å; A488-A492 PolarHBondContact O-N 2.64Å; A488-V676 HydrophobicContact CB-CG1 4.01Å
489	A	94.3	Very high	94.5	Very high	9 Å²	9	17.7 Å²	17.7	7%	0.074	11%	0.107	C	C	.	.	H	α-helix	trans	-69	-39.1	173.4	0	0	0	0	0	111.2	D486 A493 Q678 L680	D486-A489 WeakPolarHBondContact O-CB 3.41Å; D486-A489 PolarHBondContact O-N 3.31Å; A489-A493 WeakPolarHBondContact O-CB 3.42Å; A489-A493 PolarHBondContact O-N 2.79Å; A489-Q678 HydrophobicContact CB-CB 4.06Å; A489-Q678 HydrophobicContact CB-CG 4.13Å; A489-Q678 WeakPolarHBondContact CB-O 3.1Å; A489-L680 HydrophobicContact CB-CD2 3.64Å; A489-L680 HydrophobicContact CB-CG 4.18Å
490	I	95.4	Very high	94.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.1	-51	173.1	-64.3	167.7	0	0	0	109.7	L453 V477 L482 D486 G487 A492 A493 V494 L680 L685	L453-I490 HydrophobicContact CD1-CG2 3.99Å; V477-I490 HydrophobicContact CG2-CG2 4.32Å; L482-I490 HydrophobicContact CD2-CG2 4.29Å; D486-I490 PolarHBondContact O-N 3.04Å; D486-I490 VanDerWaalsContact O-N 3.11Å; G487-I490 PolarHBondContact O-N 3.46Å; I490-A492 PolarHBondContact O-N 3.38Å; I490-A493 PolarHBondContact O-N 3.04Å; I490-V494 HydrophobicContact CG2-CG2 4.19Å; I490-V494 WeakPolarHBondContact O-CG2 3.43Å; I490-V494 PolarHBondContact O-N 2.95Å; I490-L680 HydrophobicContact CB-CD2 4.43Å; I490-L680 HydrophobicContact CG1-CD2 3.61Å; I490-L685 HydrophobicContact CD1-CD2 3.71Å
491	H	95.1	Very high	94	Very high	9 Å²	9	19.5 Å²	19.5	4%	0.042	12%	0.115	C	C	.	.	H	α-helix	trans	-58.3	-44.7	179.1	-173.8	-89.9	0	0	0	112.5	F373 P374 N385 L482 G487 A493 V494 S495	F373-H491 AromaticContact CZ-NE2 3.79Å; P374-H491 HydrophobicContact CG-CB 3.85Å; N385-H491 PolarHBondContact O-NE2 2.99Å; L482-H491 HydrophobicContact CD2-CB 4.02Å; G487-H491 WeakPolarHBondContact O-CB 3.4Å; G487-H491 PolarHBondContact O-N 3.36Å; H491-A493 PolarHBondContact O-N 3.4Å; H491-V494 PolarHBondContact O-N 3.36Å; H491-S495 WeakPolarHBondContact O-CB 3.48Å; H491-S495 PolarHBondContact O-N 3.39Å
492	A	94.2	Very high	93.8	Very high	14 Å²	14	22 Å²	22	12%	0.116	12%	0.123	C	C	.	.	H	α-helix	trans	-63.6	-40.3	176.5	0	0	0	0	0	112.8	A488 I490 S495 T496	A488-A492 WeakPolarHBondContact O-CB 3.18Å; A488-A492 PolarHBondContact O-N 2.64Å; I490-A492 PolarHBondContact O-N 3.38Å; A492-S495 PolarHBondContact O-N 2.86Å; A492-T496 PolarHBondContact O-N 2.91Å; A492-T496 PolarHBondContact O-OG1 3.16Å
493	A	94.6	Very high	93.4	Very high	13 Å²	13	25.9 Å²	25.9	11%	0.107	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-45.9	175.2	0	0	0	0	0	111.3	L453 A489 I490 H491 S495 T496 I497	L453-A493 HydrophobicContact CB-CB 4.06Å; A489-A493 WeakPolarHBondContact O-CB 3.42Å; A489-A493 PolarHBondContact O-N 2.79Å; I490-A493 PolarHBondContact O-N 3.04Å; H491-A493 PolarHBondContact O-N 3.4Å; A493-S495 PolarHBondContact O-N 3.02Å; A493-T496 WeakPolarHBondContact O-CB 3.44Å; A493-T496 PolarHBondContact O-N 3.11Å; A493-I497 VanDerWaalsContact O-CG1 3.3Å; A493-I497 WeakPolarHBondContact O-CG1 3.26Å; A493-I497 PolarHBondContact O-N 3.05Å
494	V	95.3	Very high	93.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63	-43.7	177.9	-175.4	0	0	0	0	110.9	I404 V475 V477 I490 H491 T496 I497 A498 M514	I404-V494 HydrophobicContact CD1-CB 4.41Å; I404-V494 HydrophobicContact CD1-CG1 3.92Å; I404-V494 HydrophobicContact CD1-CG2 3.74Å; I404-V494 HydrophobicContact CG2-CG2 4.38Å; V475-V494 HydrophobicContact CG1-CG1 3.63Å; V477-V494 HydrophobicContact CB-CG1 4.27Å; V477-V494 HydrophobicContact CB-CG2 4.15Å; V477-V494 HydrophobicContact CG1-CG1 4.23Å; V477-V494 HydrophobicContact CG1-CG2 4.48Å; V477-V494 HydrophobicContact CG2-CG2 4.24Å; I490-V494 HydrophobicContact CG2-CG2 4.19Å; I490-V494 WeakPolarHBondContact O-CG2 3.43Å; I490-V494 PolarHBondContact O-N 2.95Å; H491-V494 PolarHBondContact O-N 3.36Å; V494-T496 VanDerWaalsContact C-N 3.28Å; V494-T496 PolarHBondContact O-N 3.17Å; V494-I497 PolarHBondContact O-N 3.26Å; V494-I497 VanDerWaalsContact O-N 3.17Å; V494-A498 WeakPolarHBondContact O-CB 3.08Å; V494-A498 PolarHBondContact O-N 3.47Å; V494-M514 HydrophobicContact CB-CE 4.15Å; V494-M514 HydrophobicContact CB-SD 4.28Å; V494-M514 HydrophobicContact CG1-CE 3.72Å; V494-M514 HydrophobicContact CG1-SD 3.5Å; V494-M514 WeakPolarHBondContact CG1-SD 3.5Å
495	S	93.9	Very high	92.6	Very high	8 Å²	8	27.3 Å²	27.3	6%	0.056	16%	0.158	C	C	.	.	H	α-helix	trans	-58	-42	175.3	-172	0	0	0	0	111.7	H491 A492 A493 A498 Q499 N670	H491-S495 WeakPolarHBondContact O-CB 3.48Å; H491-S495 PolarHBondContact O-N 3.39Å; A492-S495 PolarHBondContact O-N 2.86Å; A493-S495 PolarHBondContact O-N 3.02Å; S495-A498 PolarHBondContact O-N 3.11Å; S495-Q499 WeakPolarHBondContact O-CB 3.5Å; S495-Q499 PolarHBondContact O-N 2.83Å; S495-N670 PolarHBondContact OG-OD1 2.74Å
496	T	93.5	Very high	92	Very high	36 Å²	36	25.8 Å²	25.8	22%	0.221	16%	0.157	C	C	.	.	H	α-helix	trans	-65.3	-43.9	175.3	-59.2	0	0	0	0	111.8	A457 A492 A493 V494 Q499 N500	A457-T496 HydrophobicContact CB-CG2 4.13Å; A492-T496 PolarHBondContact O-N 2.91Å; A492-T496 PolarHBondContact O-OG1 3.16Å; A493-T496 WeakPolarHBondContact O-CB 3.44Å; A493-T496 PolarHBondContact O-N 3.11Å; V494-T496 VanDerWaalsContact C-N 3.28Å; V494-T496 PolarHBondContact O-N 3.17Å; T496-Q499 PolarHBondContact O-N 3.48Å; T496-N500 WeakPolarHBondContact O-CB 3.42Å; T496-N500 PolarHBondContact O-N 3.15Å
497	I	95.1	Very high	91.5	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.015	16%	0.163	C	C	.	.	H	α-helix	trans	-59	-49	175.8	-66.5	166.5	0	0	0	110.3	L402 L453 I456 A457 L467 V475 A493 V494 Q499 N500 A501	L402-I497 HydrophobicContact CD2-CG2 4.35Å; L453-I497 HydrophobicContact CB-CD1 4.3Å; L453-I497 HydrophobicContact CD2-CD1 4.16Å; I456-I497 HydrophobicContact CB-CD1 4.04Å; I456-I497 HydrophobicContact CB-CG1 4.3Å; I456-I497 HydrophobicContact CG2-CD1 3.93Å; I456-I497 HydrophobicContact CG2-CG1 3.9Å; I456-I497 HydrophobicContact CG2-CG2 3.83Å; A457-I497 HydrophobicContact CB-CG1 3.89Å; L467-I497 HydrophobicContact CD1-CG2 4.01Å; V475-I497 HydrophobicContact CG2-CG2 4.33Å; A493-I497 VanDerWaalsContact O-CG1 3.3Å; A493-I497 WeakPolarHBondContact O-CG1 3.26Å; A493-I497 PolarHBondContact O-N 3.05Å; V494-I497 PolarHBondContact O-N 3.26Å; V494-I497 VanDerWaalsContact O-N 3.17Å; I497-Q499 PolarHBondContact O-N 2.67Å; I497-N500 PolarHBondContact O-N 3.25Å; I497-A501 WeakPolarHBondContact O-CB 3.47Å; I497-A501 PolarHBondContact O-N 3.03Å
498	A	93.9	Very high	90.7	Very high	5 Å²	5	28.8 Å²	28.8	4%	0.041	18%	0.184	C	C	.	.	H	α-helix	trans	-62.9	-40.9	-179.1	0	0	0	0	0	112.1	V494 S495 R502 V513 M514	V494-A498 WeakPolarHBondContact O-CB 3.08Å; V494-A498 PolarHBondContact O-N 3.47Å; S495-A498 PolarHBondContact O-N 3.11Å; A498-R502 WeakPolarHBondContact O-CB 3.34Å; A498-R502 PolarHBondContact O-N 2.88Å; A498-V513 HydrophobicContact CB-CB 4.26Å; A498-V513 HydrophobicContact CB-CG1 3.92Å; A498-M514 HydrophobicContact CB-CB 3.78Å; A498-M514 HydrophobicContact CB-SD 4.19Å
499	Q	91.9	Very high	89.8	Confident	42 Å²	42	31.9 Å²	31.9	20%	0.196	21%	0.205	C	C	.	.	H	α-helix	trans	-67.4	-41.3	176	-174.5	64.1	24.9	0	0	112.1	S495 T496 I497 R502 T503 N670	S495-Q499 WeakPolarHBondContact O-CB 3.5Å; S495-Q499 PolarHBondContact O-N 2.83Å; T496-Q499 PolarHBondContact O-N 3.48Å; I497-Q499 PolarHBondContact O-N 2.67Å; Q499-R502 PolarHBondContact O-N 2.91Å; Q499-T503 HydrophobicContact CG-CG2 4.47Å; Q499-T503 WeakPolarHBondContact O-CG2 3.1Å; Q499-T503 PolarHBondContact O-N 3.07Å; Q499-T503 PolarHBondContact O-OG1 2.84Å; Q499-N670 WeakPolarHBondContact CG-ND2 3.41Å
500	N	92.2	Very high	89.3	Confident	48 Å²	48	38 Å²	38	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-62.9	-47.8	176.4	-73.8	-10.5	0	0	0	111	A457 T496 I497 R502 T503 K504	A457-N500 PolarHBondContact O-ND2 2.71Å; T496-N500 WeakPolarHBondContact O-CB 3.42Å; T496-N500 PolarHBondContact O-N 3.15Å; I497-N500 PolarHBondContact O-N 3.25Å; N500-R502 PolarHBondContact O-N 2.97Å; N500-T503 PolarHBondContact O-N 3.13Å; N500-T503 PolarHBondContact O-OG1 2.95Å; N500-K504 WeakPolarHBondContact O-CB 3.28Å; N500-K504 WeakPolarHBondContact O-CG 3.35Å; N500-K504 PolarHBondContact O-N 3.41Å
501	A	91.3	Very high	89.2	Confident	2 Å²	2	39.4 Å²	39.4	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-56.8	-50	175.9	0	0	0	0	0	110.4	L467 P473 I497 T503 K504 S505 V513	L467-A501 HydrophobicContact CB-CB 4.47Å; P473-A501 HydrophobicContact CB-CB 4.48Å; P473-A501 HydrophobicContact CG-CB 4.3Å; I497-A501 WeakPolarHBondContact O-CB 3.47Å; I497-A501 PolarHBondContact O-N 3.03Å; A501-T503 PolarHBondContact O-N 3.22Å; A501-K504 PolarHBondContact O-N 2.86Å; A501-S505 WeakPolarHBondContact O-CB 3.49Å; A501-S505 PolarHBondContact O-N 2.75Å; A501-S505 PolarHBondContact O-OG 2.98Å; A501-V513 HydrophobicContact CB-CG1 4.26Å
502	R	90.2	Very high	89.1	Confident	58 Å²	58	40.2 Å²	40.2	22%	0.219	25%	0.245	C	C	.	.	H	α-helix	trans	-57.7	-46	178.3	-175.1	179.5	178.7	-171.2	-0.8	113.4	A498 Q499 N500 S505 V513	A498-R502 WeakPolarHBondContact O-CB 3.34Å; A498-R502 PolarHBondContact O-N 2.88Å; Q499-R502 PolarHBondContact O-N 2.91Å; N500-R502 PolarHBondContact O-N 2.97Å; R502-S505 PolarHBondContact O-OG 3.01Å; R502-V513 HydrophobicContact CB-CG2 4.04Å; R502-V513 HydrophobicContact CG-CG2 4.5Å
503	T	88.6	Confident	89.1	Confident	84 Å²	84	39.8 Å²	39.8	52%	0.515	24%	0.241	S	C	.	.	H	α-helix	trans	-71.4	-38	-176.6	52	0	0	0	0	113.1	Q499 N500 A501	Q499-T503 HydrophobicContact CG-CG2 4.47Å; Q499-T503 WeakPolarHBondContact O-CG2 3.1Å; Q499-T503 PolarHBondContact O-N 3.07Å; Q499-T503 PolarHBondContact O-OG1 2.84Å; N500-T503 PolarHBondContact O-N 3.13Å; N500-T503 PolarHBondContact O-OG1 2.95Å; A501-T503 PolarHBondContact O-N 3.22Å
504	K	88.3	Confident	89.2	Confident	106 Å²	106	39.6 Å²	39.6	46%	0.461	24%	0.238	S	C	.	.	H	α-helix	trans	-85	-37.1	-175.6	-68.8	175.3	172.1	-178.5	0	113.9	D468 N500 A501 G506	D468-K504 HydrophobicContact CB-CB 4.26Å; D468-K504 HydrophobicContact CB-CD 4.31Å; D468-K504 WeakPolarHBondContact OD1-CD 3.1Å; D468-K504 IonicContact OD1-NZ 3.54Å; D468-K504 VanDerWaalsContact OD2-CD 3.23Å; D468-K504 WeakPolarHBondContact OD2-CD 3.39Å; D468-K504 IonicContact OD2-NZ 2.82Å; D468-K504 PolarHBondContact OD2-NZ 2.84Å; N500-K504 WeakPolarHBondContact O-CB 3.28Å; N500-K504 WeakPolarHBondContact O-CG 3.35Å; N500-K504 PolarHBondContact O-N 3.41Å; A501-K504 PolarHBondContact O-N 2.86Å; K504-G506 PolarHBondContact O-N 2.95Å
505	S	82.8	Confident	89.3	Confident	28 Å²	28	39.6 Å²	39.6	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-65.9	-18.7	174.5	55.1	0	0	0	0	113.4	D468 A470 A501 R502 V507	D468-S505 WeakPolarHBondContact O-CA 3.49Å; A470-S505 WeakPolarHBondContact O-CB 3.27Å; A501-S505 WeakPolarHBondContact O-CB 3.49Å; A501-S505 PolarHBondContact O-N 2.75Å; A501-S505 PolarHBondContact O-OG 2.98Å; R502-S505 PolarHBondContact O-OG 3.01Å; S505-V507 PolarHBondContact O-N 2.98Å; S505-V507 WeakPolarHBondContact OG-CG2 3.27Å; S505-V507 PolarHBondContact OG-N 3.26Å
506	G	79.3	Confident	89.5	Confident	63 Å²	63	39.2 Å²	39.2	65%	0.649	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	20.2	-174.8	0	0	0	0	0	113.2	K504 G508	K504-G506 PolarHBondContact O-N 2.95Å; G506-G508 PolarHBondContact O-N 3.03Å
507	V	83.8	Confident	89.8	Confident	20 Å²	20	37.5 Å²	37.5	12%	0.121	23%	0.225	C	C	.	.			trans	-59.7	132.6	176.9	172	0	0	0	0	110.6	K471 P473 S505 W511	K471-V507 VanDerWaalsContact O-CG2 3.24Å; K471-V507 WeakPolarHBondContact O-CG2 3.43Å; P473-V507 HydrophobicContact CG-CG2 4.18Å; S505-V507 PolarHBondContact O-N 2.98Å; S505-V507 WeakPolarHBondContact OG-CG2 3.27Å; S505-V507 PolarHBondContact OG-N 3.26Å; V507-W511 HydrophobicContact CG1-CB 3.47Å; V507-W511 VanDerWaalsContact CG1-CB 3.47Å; V507-W511 HydrophobicContact CG1-CG 3.92Å
508	G	76.1	Confident	89.9	Confident	46 Å²	46	37.4 Å²	37.4	47%	0.474	22%	0.224	S	C	.	.			trans	-59.9	169.4	178.8	0	0	0	0	0	113.7	G506 D510	G506-G508 PolarHBondContact O-N 3.03Å; G508-D510 PolarHBondContact O-N 3.44Å; G508-D510 VanDerWaalsContact O-N 3.1Å
509	S	75.3	Confident	90.1	Very high	75 Å²	75	40.7 Å²	40.7	52%	0.524	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.6	176.7	45	0	0	0	0	114.7	K512	S509-K512 PolarHBondContact O-NZ 3.21Å
510	D	84.7	Confident	90.4	Very high	138 Å²	138	40 Å²	40	74%	0.738	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-34.4	-166.5	-53.4	-12.9	0	0	0	110.8	G508	G508-D510 PolarHBondContact O-N 3.44Å; G508-D510 VanDerWaalsContact O-N 3.1Å
511	W	92.4	Very high	90.6	Very high	29 Å²	29	38 Å²	38	11%	0.11	23%	0.225	C	C	.	.	S	Bend	trans	-85.6	131.2	177.1	-175.9	-97.5	0	0	0	111.5	T390 G394 E397 A398 K472 P473 V507	T390-W511 HydrophobicContact CG2-CH2 4.45Å; T390-W511 HydrophobicContact CG2-CZ2 4.07Å; G394-W511 VanDerWaalsContact O-CH2 3.31Å; G394-W511 WeakPolarHBondContact O-CH2 3.48Å; E397-W511 HydrophobicContact CB-CH2 3.95Å; E397-W511 HydrophobicContact CB-CZ3 3.82Å; A398-W511 HydrophobicContact CB-CH2 4.26Å; A398-W511 HydrophobicContact CB-CZ2 4.01Å; K472-W511 HydrophobicContact CB-CD2 4.27Å; K472-W511 HydrophobicContact CB-CH2 4.43Å; K472-W511 HydrophobicContact CB-CZ2 3.97Å; K472-W511 HydrophobicContact CD-CD2 4.49Å; K472-W511 HydrophobicContact CD-CE3 4.22Å; K472-W511 HydrophobicContact CD-CH2 4.46Å; K472-W511 HydrophobicContact CD-CZ3 4.21Å; K472-W511 HydrophobicContact CG-CD2 4.24Å; K472-W511 HydrophobicContact CG-CE3 4.47Å; P473-W511 PolarHBondContact O-NE1 3.45Å; V507-W511 HydrophobicContact CG1-CB 3.47Å; V507-W511 VanDerWaalsContact CG1-CB 3.47Å; V507-W511 HydrophobicContact CG1-CG 3.92Å
512	K	93.5	Very high	91	Very high	26 Å²	26	38 Å²	38	11%	0.113	22%	0.224	C	C	.	.			trans	-99.4	134.5	179.1	-45.3	-51	-178.5	-174.6	0	108.2	N389 T390 S509 F666	N389-K512 HydrophobicContact CB-CB 3.63Å; N389-K512 HydrophobicContact CB-CG 4.03Å; T390-K512 HydrophobicContact CG2-CB 4.47Å; T390-K512 WeakPolarHBondContact CG2-O 3.28Å; S509-K512 PolarHBondContact O-NZ 3.21Å; K512-F666 HydrophobicContact CB-CZ 4.1Å; K512-F666 HydrophobicContact CD-CE2 3.68Å; K512-F666 HydrophobicContact CD-CZ 4.02Å; K512-F666 HydrophobicContact CG-CE2 4.32Å; K512-F666 HydrophobicContact CG-CZ 4.15Å
513	V	95.2	Very high	91.3	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.036	21%	0.214	C	C	.	.			trans	-102.8	-40.9	-175.5	-179.5	0	0	0	0	111.6	P473 V475 A498 A501 R502 N515	P473-V513 HydrophobicContact CB-CG1 4.46Å; P473-V513 HydrophobicContact CG-CG1 4.38Å; P473-V513 HydrophobicContact CG-CG2 4.18Å; V475-V513 HydrophobicContact CB-CG1 4.41Å; V475-V513 HydrophobicContact CG2-CG1 3.86Å; V475-V513 PolarHBondContact N-O 2.71Å; A498-V513 HydrophobicContact CB-CB 4.26Å; A498-V513 HydrophobicContact CB-CG1 3.92Å; A501-V513 HydrophobicContact CB-CG1 4.26Å; R502-V513 HydrophobicContact CB-CG2 4.04Å; R502-V513 HydrophobicContact CG-CG2 4.5Å; V513-N515 PolarHBondContact O-ND2 2.92Å; V513-N515 VanDerWaalsContact O-ND2 3.1Å
514	M	95.9	Very high	91.8	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.039	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	128.2	-178.8	180	65.5	-171.3	0	0	110.5	N389 V477 V494 A498 I516 F666	N389-M514 PolarHBondContact ND2-O 3.13Å; V477-M514 HydrophobicContact CG1-CE 4.02Å; V494-M514 HydrophobicContact CB-CE 4.15Å; V494-M514 HydrophobicContact CB-SD 4.28Å; V494-M514 HydrophobicContact CG1-CE 3.72Å; V494-M514 HydrophobicContact CG1-SD 3.5Å; V494-M514 WeakPolarHBondContact CG1-SD 3.5Å; A498-M514 HydrophobicContact CB-CB 3.78Å; A498-M514 HydrophobicContact CB-SD 4.19Å; M514-I516 HydrophobicContact CE-CD1 3.89Å; M514-I516 HydrophobicContact CE-CG1 4.13Å; M514-F666 HydrophobicContact CB-CD1 4.24Å; M514-F666 HydrophobicContact CB-CE1 4.3Å
515	N	97.9	Very high	92.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	146.7	177.5	-62.7	-72	0	0	0	111.4	L387 L388 N389 T390 V475 V476 V477 V513	L387-N515 WeakPolarHBondContact O-CA 3.38Å; L388-N515 VanDerWaalsContact C-OD1 3.3Å; L388-N515 HydrophobicContact CD1-CB 3.61Å; N389-N515 WeakPolarHBondContact CA-OD1 3.36Å; N389-N515 PolarHBondContact N-OD1 2.95Å; T390-N515 WeakPolarHBondContact CG2-ND2 3.39Å; T390-N515 PolarHBondContact N-OD1 2.86Å; T390-N515 PolarHBondContact OG1-ND2 3.35Å; T390-N515 PolarHBondContact OG1-OD1 2.88Å; T390-N515 VanDerWaalsContact OG1-OD1 3.13Å; V475-N515 WeakPolarHBondContact O-CB 3.38Å; V475-N515 PolarHBondContact O-N 3.45Å; V476-N515 WeakPolarHBondContact CA-O 3.34Å; V476-N515 HydrophobicContact CB-CB 4.49Å; V476-N515 HydrophobicContact CG2-CB 3.93Å; V477-N515 PolarHBondContact N-O 3.5Å; V513-N515 PolarHBondContact O-ND2 2.92Å; V513-N515 VanDerWaalsContact O-ND2 3.1Å
516	I	98.2	Very high	93	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.2	168.7	-75.4	142.8	0	0	0	109.6	F373 N385 L387 L388 V477 L482 M514 T600	F373-I516 HydrophobicContact CE2-CD1 4.06Å; N385-I516 WeakPolarHBondContact O-CD1 3.47Å; L387-I516 PolarHBondContact O-N 2.88Å; L388-I516 PolarHBondContact N-O 3Å; V477-I516 HydrophobicContact CG1-CB 4.48Å; V477-I516 HydrophobicContact CG1-CD1 4.33Å; V477-I516 HydrophobicContact CG1-CG1 3.38Å; V477-I516 WeakPolarHBondContact O-CA 3.03Å; L482-I516 HydrophobicContact CD1-CG1 4.44Å; M514-I516 HydrophobicContact CE-CD1 3.89Å; M514-I516 HydrophobicContact CE-CG1 4.13Å; I516-T600 PolarHBondContact O-OG1 2.63Å
517	L	98.4	Very high	93.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	108.7	173.7	-176.1	65.4	0	0	0	108.7	P408 A412 F415 V476 V477 S479 T600	P408-L517 HydrophobicContact CB-CD2 3.87Å; A412-L517 HydrophobicContact CB-CD1 3.72Å; A412-L517 HydrophobicContact CB-CD2 4.06Å; A412-L517 HydrophobicContact CB-CG 4.19Å; F415-L517 HydrophobicContact CB-CD1 4.41Å; F415-L517 HydrophobicContact CD1-CD1 3.85Å; F415-L517 HydrophobicContact CD1-CD2 3.78Å; F415-L517 HydrophobicContact CD1-CG 4.45Å; F415-L517 HydrophobicContact CE1-CD1 4.3Å; F415-L517 HydrophobicContact CE1-CD2 4.08Å; F415-L517 HydrophobicContact CG-CD1 4.1Å; V476-L517 HydrophobicContact CG1-CB 3.79Å; V477-L517 PolarHBondContact O-N 2.74Å; S479-L517 WeakPolarHBondContact CB-O 3.31Å; S479-L517 PolarHBondContact N-O 2.74Å; L517-T600 HydrophobicContact CD1-CG2 4.2Å
518	H	98.4	Very high	94.6	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	13%	0.127	C	C	.	.			trans	-80.5	158.2	169.9	-69.6	-76.1	0	0	0	110.9	A257 Y386 V524 T600	A257-H518 HydrophobicContact CB-CB 3.66Å; A257-H518 WeakPolarHBondContact CB-O 3.3Å; Y386-H518 PolarHBondContact O-CD2 3.15Å; Y386-H518 VanDerWaalsContact O-CD2 3.25Å; Y386-H518 PolarHBondContact O-NE2 2.77Å; H518-V524 HydrophobicContact CB-CG2 4.43Å; H518-V524 VanDerWaalsContact CD2-CG2 3.45Å; H518-V524 WeakPolarHBondContact CD2-CG2 3.34Å; H518-T600 PolarHBondContact N-OG1 3.09Å
519	R	97.2	Very high	95.6	Very high	74 Å²	74	19.8 Å²	19.8	28%	0.279	11%	0.105	S	C	.	.			trans	-119.9	-10.7	174	67.9	-167.7	170.5	146.4	1.4	113.5	A257 E371 E411	A257-R519 PolarHBondContact N-O 3.19Å; E371-R519 IonicContact OE1-CZ 3.11Å; E371-R519 IonicContact OE1-NE 3.48Å; E371-R519 PolarHBondContact OE1-NE 3.29Å; E371-R519 IonicContact OE1-NH2 2.74Å; E411-R519 HydrophobicContact CB-CB 4.13Å; E411-R519 HydrophobicContact CG-CB 4.41Å
520	V	97.9	Very high	96.6	Very high	29 Å²	29	18.3 Å²	18.3	18%	0.176	10%	0.101	C	C	.	.			trans	-109.4	126.1	-176.3	179	0	0	0	0	110.7	A257 G345 E371 S522 Q523	A257-V520 WeakPolarHBondContact CB-O 3.42Å; G345-V520 WeakPolarHBondContact O-CG1 3.14Å; E371-V520 HydrophobicContact CB-CG2 4.36Å; E371-V520 WeakPolarHBondContact OE2-CG2 3.38Å; V520-S522 PolarHBondContact O-N 3.42Å; V520-Q523 HydrophobicContact CB-CB 3.97Å; V520-Q523 HydrophobicContact CG1-CB 4.14Å; V520-Q523 PolarHBondContact O-N 3.42Å
521	A	97.9	Very high	97.2	Very high	6 Å²	6	11.8 Å²	11.8	5%	0.05	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-34.7	-174.3	0	0	0	0	0	114.3	V254 G345 Q523 Y597	V254-A521 HydrophobicContact CB-CB 3.99Å; V254-A521 VanDerWaalsContact O-CB 3.25Å; V254-A521 WeakPolarHBondContact O-CB 3.34Å; G345-A521 PolarHBondContact O-N 3.21Å; A521-Q523 VanDerWaalsContact C-N 3.34Å; A521-Y597 HydrophobicContact CB-CD1 4.35Å
522	S	98.1	Very high	97.4	Very high	1 Å²	1	14 Å²	14	1%	0.007	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-19.1	179.2	67.7	0	0	0	0	113.6	G344 G345 V347 V520 V524 A525 A526	G344-S522 WeakPolarHBondContact O-CB 3.43Å; G344-S522 PolarHBondContact O-OG 3.12Å; G345-S522 VanDerWaalsContact C-OG 3.29Å; G345-S522 VanDerWaalsContact CA-OG 3.31Å; G345-S522 WeakPolarHBondContact CA-OG 3.4Å; G345-S522 WeakPolarHBondContact O-CB 3.38Å; G345-S522 PolarHBondContact O-N 2.82Å; G345-S522 PolarHBondContact O-OG 3.05Å; V347-S522 WeakPolarHBondContact O-CB 3.31Å; V520-S522 PolarHBondContact O-N 3.42Å; S522-V524 PolarHBondContact O-N 3.19Å; S522-A525 PolarHBondContact O-N 3.19Å; S522-A526 WeakPolarHBondContact O-CB 3.48Å; S522-A526 PolarHBondContact O-N 2.88Å
523	Q	98.2	Very high	97.5	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.009	8%	0.075	C	C	.	.	H	α-helix	trans	-63.6	-51.2	-164.7	-175.7	69.9	4.3	0	0	111.7	T369 E371 V520 A521 A525 A526 L527	T369-Q523 PolarHBondContact OG1-OE1 3.44Å; T369-Q523 VanDerWaalsContact OG1-OE1 3.08Å; E371-Q523 PolarHBondContact O-NE2 3.09Å; V520-Q523 HydrophobicContact CB-CB 3.97Å; V520-Q523 HydrophobicContact CG1-CB 4.14Å; V520-Q523 PolarHBondContact O-N 3.42Å; A521-Q523 VanDerWaalsContact C-N 3.34Å; Q523-A525 VanDerWaalsContact C-N 3.33Å; Q523-A525 PolarHBondContact O-N 3.39Å; Q523-A526 WeakPolarHBondContact O-CB 3.48Å; Q523-A526 PolarHBondContact O-N 2.99Å; Q523-A526 VanDerWaalsContact O-N 3.1Å; Q523-L527 HydrophobicContact CG-CD1 4.34Å; Q523-L527 HydrophobicContact CG-CG 4.41Å; Q523-L527 VanDerWaalsContact O-CG 3.3Å; Q523-L527 WeakPolarHBondContact O-CG 3.08Å; Q523-L527 PolarHBondContact O-N 2.83Å
524	V	98.3	Very high	97.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.7	-41.3	-176.8	-177.9	0	0	0	0	111.6	Y386 L387 H518 S522 A526 L527 D528 V598	Y386-V524 HydrophobicContact CD2-CG1 4.49Å; Y386-V524 HydrophobicContact CE2-CG1 4.23Å; L387-V524 HydrophobicContact CD2-CG1 3.5Å; L387-V524 VanDerWaalsContact CD2-CG1 3.5Å; H518-V524 HydrophobicContact CB-CG2 4.43Å; H518-V524 VanDerWaalsContact CD2-CG2 3.45Å; H518-V524 WeakPolarHBondContact CD2-CG2 3.34Å; S522-V524 PolarHBondContact O-N 3.19Å; V524-A526 VanDerWaalsContact C-N 3.34Å; V524-A526 PolarHBondContact O-N 3.43Å; V524-L527 PolarHBondContact O-N 3.32Å; V524-D528 WeakPolarHBondContact O-CB 3.34Å; V524-D528 PolarHBondContact O-N 3.46Å; V524-V598 HydrophobicContact CB-CB 4.23Å; V524-V598 HydrophobicContact CB-CG1 4.11Å; V524-V598 HydrophobicContact CG1-CB 4.13Å; V524-V598 HydrophobicContact CG1-CG1 3.52Å
525	A	98.4	Very high	97.4	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.008	8%	0.075	C	C	.	.	H	α-helix	trans	-63.3	-39.8	175.1	0	0	0	0	0	111.9	A349 L352 S522 Q523 D528 L529 V598	A349-A525 HydrophobicContact CB-CB 4.22Å; L352-A525 HydrophobicContact CD1-CB 4.27Å; S522-A525 PolarHBondContact O-N 3.19Å; Q523-A525 VanDerWaalsContact C-N 3.33Å; Q523-A525 PolarHBondContact O-N 3.39Å; A525-D528 PolarHBondContact O-N 3.5Å; A525-L529 WeakPolarHBondContact O-CB 3.32Å; A525-L529 VanDerWaalsContact O-CG 3.28Å; A525-L529 WeakPolarHBondContact O-CG 3.28Å; A525-L529 PolarHBondContact O-N 3.07Å; A525-V598 HydrophobicContact CB-CB 4.18Å; A525-V598 HydrophobicContact CB-CG2 3.91Å
526	A	98.4	Very high	97.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.5	-39.3	175.8	0	0	0	0	0	112.4	L352 T369 S522 Q523 V524 L529 G530 F531	L352-A526 HydrophobicContact CD1-CB 3.87Å; L352-A526 HydrophobicContact CD2-CB 4.43Å; T369-A526 HydrophobicContact CG2-CB 3.56Å; S522-A526 WeakPolarHBondContact O-CB 3.48Å; S522-A526 PolarHBondContact O-N 2.88Å; Q523-A526 WeakPolarHBondContact O-CB 3.48Å; Q523-A526 PolarHBondContact O-N 2.99Å; Q523-A526 VanDerWaalsContact O-N 3.1Å; V524-A526 VanDerWaalsContact C-N 3.34Å; V524-A526 PolarHBondContact O-N 3.43Å; A526-L529 CarbonylContact O-C 2.98Å; A526-L529 PolarHBondContact O-N 3.21Å; A526-G530 PolarHBondContact O-N 2.95Å; A526-G530 VanDerWaalsContact O-N 3.13Å; A526-F531 HydrophobicContact CB-CB 4.14Å; A526-F531 HydrophobicContact CB-CG 4.26Å; A526-F531 WeakPolarHBondContact O-CB 3.4Å; A526-F531 PolarHBondContact O-N 3.04Å
527	L	98.1	Very high	96.9	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-65.7	-44	174.4	-61.7	-175.8	0	0	0	111.6	T380 Y386 Q523 V524 L529 G530 P533	T380-L527 HydrophobicContact CG2-CD2 3.71Å; Y386-L527 HydrophobicContact CD1-CD1 4.13Å; Y386-L527 HydrophobicContact CD2-CB 4.15Å; Y386-L527 HydrophobicContact CD2-CD1 3.66Å; Y386-L527 HydrophobicContact CE1-CB 4.18Å; Y386-L527 HydrophobicContact CE2-CB 3.8Å; Y386-L527 HydrophobicContact CE2-CD1 4.21Å; Y386-L527 HydrophobicContact CG-CB 4.48Å; Y386-L527 HydrophobicContact CG-CD1 3.61Å; Q523-L527 HydrophobicContact CG-CD1 4.34Å; Q523-L527 HydrophobicContact CG-CG 4.41Å; Q523-L527 VanDerWaalsContact O-CG 3.3Å; Q523-L527 WeakPolarHBondContact O-CG 3.08Å; Q523-L527 PolarHBondContact O-N 2.83Å; V524-L527 PolarHBondContact O-N 3.32Å; L527-L529 PolarHBondContact O-N 2.84Å; L527-G530 WeakPolarHBondContact O-CA 3.49Å; L527-G530 PolarHBondContact O-N 2.65Å; L527-P533 HydrophobicContact CD2-CB 3.79Å; L527-P533 HydrophobicContact CD2-CG 4.06Å
528	D	97.9	Very high	96.7	Very high	16 Å²	16	19.5 Å²	19.5	9%	0.086	11%	0.11	C	C	.	.	H	α-helix	trans	-61.1	-34.4	175	-75.9	-15.2	0	0	0	111.6	R383 Y386 V524 A525 G530 N653 L654	R383-D528 IonicContact CZ-OD1 3.05Å; R383-D528 IonicContact CZ-OD2 3.35Å; R383-D528 IonicContact NE-OD1 3.55Å; R383-D528 PolarHBondContact NE-OD1 2.8Å; R383-D528 IonicContact NE-OD2 2.72Å; R383-D528 PolarHBondContact NE-OD2 3.23Å; R383-D528 IonicContact NH2-OD1 3.55Å; R383-D528 IonicContact NH2-OD2 3.73Å; R383-D528 PolarHBondContact NH2-OD2 2.91Å; Y386-D528 WeakPolarHBondContact CE2-OD1 3.46Å; Y386-D528 PolarHBondContact OH-OD1 2.87Å; V524-D528 WeakPolarHBondContact O-CB 3.34Å; V524-D528 PolarHBondContact O-N 3.46Å; A525-D528 PolarHBondContact O-N 3.5Å; D528-G530 VanDerWaalsContact C-N 3.26Å; D528-G530 PolarHBondContact O-N 2.85Å; D528-N653 PolarHBondContact OD2-ND2 3.15Å; D528-L654 HydrophobicContact CB-CD2 4.19Å
529	L	97.9	Very high	96.5	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	2.1	173	-68.1	174.7	0	0	0	113.6	A349 L352 I353 K356 A525 A526 L527 F531 L647 V650 L654	A349-L529 HydrophobicContact CB-CD1 4.48Å; L352-L529 HydrophobicContact CB-CD1 3.53Å; L352-L529 HydrophobicContact CD1-CD1 4.28Å; I353-L529 HydrophobicContact CB-CD1 4.25Å; I353-L529 HydrophobicContact CB-CD2 4.37Å; I353-L529 HydrophobicContact CD1-CD2 4.32Å; K356-L529 WeakPolarHBondContact CD-O 3.31Å; K356-L529 PolarHBondContact NZ-O 3.04Å; A525-L529 WeakPolarHBondContact O-CB 3.32Å; A525-L529 VanDerWaalsContact O-CG 3.28Å; A525-L529 WeakPolarHBondContact O-CG 3.28Å; A525-L529 PolarHBondContact O-N 3.07Å; A526-L529 CarbonylContact O-C 2.98Å; A526-L529 PolarHBondContact O-N 3.21Å; L527-L529 PolarHBondContact O-N 2.84Å; L529-F531 HydrophobicContact CB-CD2 4.2Å; L529-F531 HydrophobicContact CB-CE2 4.41Å; L529-L647 HydrophobicContact CD1-CD2 4.22Å; L529-L647 HydrophobicContact CD2-CD2 3.87Å; L529-V650 HydrophobicContact CD2-CB 4.41Å; L529-V650 HydrophobicContact CD2-CG1 3.93Å; L529-L654 HydrophobicContact CD1-CD1 4.36Å; L529-L654 HydrophobicContact CD2-CD1 3.54Å; L529-L654 HydrophobicContact CG-CD1 3.8Å
530	G	96	Very high	96.3	Very high	44 Å²	44	28 Å²	28	45%	0.454	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	33.6	176.4	0	0	0	0	0	114.6	A526 L527 D528	A526-G530 PolarHBondContact O-N 2.95Å; A526-G530 VanDerWaalsContact O-N 3.13Å; L527-G530 WeakPolarHBondContact O-CA 3.49Å; L527-G530 PolarHBondContact O-N 2.65Å; D528-G530 VanDerWaalsContact C-N 3.26Å; D528-G530 PolarHBondContact O-N 2.85Å
531	F	97.4	Very high	96	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.009	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-67.2	151.4	165.6	-84	-127.7	0	0	0	109.9	A343 L352 K356 L367 T369 A526 L529 P533	A343-F531 HydrophobicContact CB-CD1 4.33Å; A343-F531 HydrophobicContact CB-CE1 4.1Å; L352-F531 HydrophobicContact CB-CE2 4.11Å; L352-F531 HydrophobicContact CB-CZ 4.07Å; L352-F531 HydrophobicContact CD2-CD1 4.42Å; L352-F531 HydrophobicContact CD2-CE1 3.83Å; L352-F531 HydrophobicContact CD2-CE2 4.36Å; L352-F531 HydrophobicContact CD2-CZ 3.8Å; L352-F531 WeakPolarHBondContact O-CZ 3.46Å; K356-F531 HydrophobicContact CB-CE2 3.85Å; K356-F531 HydrophobicContact CB-CZ 4.2Å; K356-F531 HydrophobicContact CD-CE2 4.26Å; L367-F531 HydrophobicContact CB-CD1 3.74Å; L367-F531 HydrophobicContact CB-CE1 3.81Å; L367-F531 HydrophobicContact CB-CG 4.1Å; L367-F531 HydrophobicContact CB-CZ 4.23Å; L367-F531 HydrophobicContact CD2-CE1 3.76Å; L367-F531 HydrophobicContact CD2-CE2 4.47Å; L367-F531 HydrophobicContact CD2-CZ 3.7Å; L367-F531 HydrophobicContact CG-CE1 4.38Å; L367-F531 HydrophobicContact CG-CZ 4.45Å; T369-F531 HydrophobicContact CG2-CB 4Å; T369-F531 HydrophobicContact CG2-CD1 4.31Å; A526-F531 HydrophobicContact CB-CB 4.14Å; A526-F531 HydrophobicContact CB-CG 4.26Å; A526-F531 WeakPolarHBondContact O-CB 3.4Å; A526-F531 PolarHBondContact O-N 3.04Å; L529-F531 HydrophobicContact CB-CD2 4.2Å; L529-F531 HydrophobicContact CB-CE2 4.41Å; F531-P533 VanDerWaalsContact O-CD 3.3Å; F531-P533 WeakPolarHBondContact O-CD 3.27Å
532	K	96.5	Very high	95.8	Very high	74 Å²	74	33 Å²	33	32%	0.322	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-78.5	117	172.7	-66.3	172.2	-179.2	162.1	0	108.1	D365 L367 C368 T369 G534	D365-K532 VanDerWaalsContact O-CE 3.28Å; D365-K532 WeakPolarHBondContact O-CE 3.23Å; D365-K532 PolarHBondContact O-NZ 2.67Å; D365-K532 IonicContact OD1-NZ 2.63Å; D365-K532 PolarHBondContact OD1-NZ 3.15Å; D365-K532 IonicContact OD2-NZ 2.68Å; D365-K532 PolarHBondContact OD2-NZ 3.27Å; L367-K532 WeakPolarHBondContact O-CB 3.22Å; L367-K532 PolarHBondContact O-N 2.8Å; C368-K532 CarbonylContact C-O 3.48Å; C368-K532 WeakPolarHBondContact CA-O 3.42Å; T369-K532 PolarHBondContact N-O 3.24Å; T369-K532 VanDerWaalsContact N-O 3.16Å; K532-G534 PolarHBondContact O-N 2.99Å
533	P	95.4	Very high	95.7	Very high	13 Å²	13	33 Å²	33	8%	0.084	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-76.9	131.3	-176.6	30.9	-36.3	0	0	0	111.7	T369 F373 T375 T380 L527 F531	T369-P533 WeakPolarHBondContact OG1-CA 3.48Å; F373-P533 HydrophobicContact CB-CB 3.59Å; F373-P533 HydrophobicContact CB-CG 3.68Å; F373-P533 HydrophobicContact CD1-CG 4.32Å; F373-P533 VanDerWaalsContact O-CG 3.31Å; F373-P533 WeakPolarHBondContact O-CG 3.46Å; T375-P533 HydrophobicContact CG2-CG 3.68Å; T380-P533 HydrophobicContact CG2-CG 4.1Å; L527-P533 HydrophobicContact CD2-CB 3.79Å; L527-P533 HydrophobicContact CD2-CG 4.06Å; F531-P533 VanDerWaalsContact O-CD 3.3Å; F531-P533 WeakPolarHBondContact O-CD 3.27Å
534	G	95.3	Very high	95.6	Very high	3 Å²	3	37.4 Å²	37.4	3%	0.031	19%	0.194	C	C	.	.	S	Bend	trans	84.2	162.9	-175.9	0	0	0	0	0	115	C368 T369 E371 K532	C368-G534 WeakPolarHBondContact CB-O 2.96Å; T369-G534 CarbonylContact O-C 3.53Å; T369-G534 VanDerWaalsContact O-CA 3.24Å; T369-G534 WeakPolarHBondContact O-CA 3.49Å; T369-G534 PolarHBondContact O-N 2.9Å; T369-G534 PolarHBondContact OG1-N 3.48Å; E371-G534 PolarHBondContact O-N 3.12Å; K532-G534 PolarHBondContact O-N 2.99Å
535	V	94.6	Very high	95.6	Very high	8 Å²	8	37.6 Å²	37.6	5%	0.048	19%	0.194	C	C	.	.	S	Bend	trans	-95.8	5.7	-169.7	-59.6	0	0	0	0	114.6	I342 A537 I538 R539 C555 I556	I342-V535 HydrophobicContact CD1-CG1 3.96Å; I342-V535 HydrophobicContact CG1-CG1 4.25Å; I342-V535 HydrophobicContact CG2-CG1 4.31Å; V535-A537 VanDerWaalsContact C-N 3.25Å; V535-A537 PolarHBondContact O-N 3.24Å; V535-I538 WeakPolarHBondContact O-CB 3.47Å; V535-I538 PolarHBondContact O-N 3.22Å; V535-R539 PolarHBondContact O-N 3.07Å; V535-C555 HydrophobicContact CG1-CB 4.02Å; V535-C555 HydrophobicContact CG2-CB 4.11Å; V535-I556 HydrophobicContact CB-CD1 3.94Å; V535-I556 HydrophobicContact CB-CG1 3.78Å; V535-I556 HydrophobicContact CG1-CG1 3.98Å; V535-I556 HydrophobicContact CG2-CD1 3.79Å; V535-I556 HydrophobicContact CG2-CG1 3.9Å
536	E	92.3	Very high	95.6	Very high	100 Å²	100	37.5 Å²	37.5	47%	0.467	19%	0.194	S	C	.	.	H	α-helix	trans	-60.3	-32.6	-175.9	-71.9	-58.3	128.8	0	0	113.4	I538 R539 K540	E536-I538 VanDerWaalsContact C-N 3.31Å; E536-I538 PolarHBondContact O-N 2.51Å; E536-R539 PolarHBondContact O-N 2.74Å; E536-K540 VanDerWaalsContact O-CG 3.3Å; E536-K540 WeakPolarHBondContact O-CG 3.49Å; E536-K540 PolarHBondContact O-N 3.29Å
537	A	92.3	Very high	95.5	Very high	32 Å²	32	37.7 Å²	37.7	26%	0.264	20%	0.195	S	C	.	.	H	α-helix	trans	-63.7	-39.5	175.8	0	0	0	0	0	111.7	V535 N541	V535-A537 VanDerWaalsContact C-N 3.25Å; V535-A537 PolarHBondContact O-N 3.24Å; A537-N541 PolarHBondContact O-N 3.35Å
538	I	94.5	Very high	95.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-70.8	-43	177	-67	171.3	0	0	0	110.2	A340 I342 C368 V535 E536 K540 N541 P542 L546 I556 L561	A340-I538 HydrophobicContact CB-CD1 3.81Å; A340-I538 HydrophobicContact CB-CG1 3.75Å; I342-I538 HydrophobicContact CD1-CD1 3.85Å; I342-I538 HydrophobicContact CG1-CD1 3.43Å; I342-I538 VanDerWaalsContact CG1-CD1 3.43Å; C368-I538 HydrophobicContact CB-CD1 3.81Å; V535-I538 WeakPolarHBondContact O-CB 3.47Å; V535-I538 PolarHBondContact O-N 3.22Å; E536-I538 VanDerWaalsContact C-N 3.31Å; E536-I538 PolarHBondContact O-N 2.51Å; I538-K540 PolarHBondContact O-N 3.01Å; I538-N541 CarbonylContact O-C 3.53Å; I538-N541 PolarHBondContact O-N 3.42Å; I538-P542 WeakPolarHBondContact O-CA 3.34Å; I538-P542 VanDerWaalsContact O-N 3.11Å; I538-L546 HydrophobicContact CD1-CD1 4.08Å; I538-I556 HydrophobicContact CG2-CD1 4.46Å; I538-L561 HydrophobicContact CG2-CD2 4.32Å
539	R	94	Very high	95.6	Very high	102 Å²	102	37.2 Å²	37.2	39%	0.385	19%	0.192	S	C	.	.	H	α-helix	trans	-58.9	-36	176.2	-69.8	-179.1	172.4	-82.4	-7.3	112.5	V535 E536 C555 I556 D560	V535-R539 PolarHBondContact O-N 3.07Å; E536-R539 PolarHBondContact O-N 2.74Å; R539-C555 PolarHBondContact NH2-O 2.81Å; R539-I556 HydrophobicContact CG-CD1 3.66Å; R539-D560 IonicContact CZ-OD1 3.81Å; R539-D560 IonicContact NH1-OD1 3.44Å; R539-D560 PolarHBondContact NH1-OD1 2.78Å; R539-D560 IonicContact NH1-OD2 3.38Å; R539-D560 IonicContact NH2-OD1 2.89Å; R539-D560 IonicContact NH2-OD2 2.67Å
540	K	92.7	Very high	95.5	Very high	152 Å²	152	38 Å²	38	66%	0.661	20%	0.201	S	C	*	.	H	α-helix	trans	-73.4	-41.5	178.8	-73.6	171.4	-175.4	175.1	0	113	E536 I538	E536-K540 VanDerWaalsContact O-CG 3.3Å; E536-K540 WeakPolarHBondContact O-CG 3.49Å; E536-K540 PolarHBondContact O-N 3.29Å; I538-K540 PolarHBondContact O-N 3.01Å
541	N	92.2	Very high	95.6	Very high	85 Å²	85	36.2 Å²	36.2	46%	0.455	18%	0.181	S	C	.	.	S	Bend	trans	-131	83.1	-179.4	-61.7	-49.8	0	0	0	108.7	A537 I538	A537-N541 PolarHBondContact O-N 3.35Å; I538-N541 CarbonylContact O-C 3.53Å; I538-N541 PolarHBondContact O-N 3.42Å
542	P	94.3	Very high	95.4	Very high	55 Å²	55	36.4 Å²	36.4	36%	0.357	18%	0.183	S	C	.	.			trans	-74.7	128.3	-169.8	34.2	-39.1	0	0	0	110.1	I538 L561 P562	I538-P542 WeakPolarHBondContact O-CA 3.34Å; I538-P542 VanDerWaalsContact O-N 3.11Å; P542-L561 HydrophobicContact CB-CD2 4.47Å; P542-P562 HydrophobicContact CB-CG 4.46Å; P542-P562 HydrophobicContact CG-CG 4.42Å
543	P	95.6	Very high	95.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.			trans	-79.3	163.5	-169.2	35.2	-41	0	0	0	112.1	D338 A340 M366 V545 L546 P562 C565	D338-P543 WeakPolarHBondContact O-CB 3.07Å; A340-P543 HydrophobicContact CB-CB 3.99Å; A340-P543 HydrophobicContact CB-CG 3.67Å; M366-P543 HydrophobicContact CE-CB 4.16Å; P543-V545 WeakPolarHBondContact CB-O 3.24Å; P543-L546 HydrophobicContact CG-CB 4.29Å; P543-L546 HydrophobicContact CG-CD1 4.33Å; P543-P562 WeakPolarHBondContact O-CD 3.33Å; P543-C565 PolarHBondContact O-SG 3.14Å
544	K	96.2	Very high	94.9	Very high	95 Å²	95	37.4 Å²	37.4	41%	0.413	21%	0.205	S	C	.	.	S	Bend	trans	-79.6	-26.1	167.8	-64.3	177.7	-171.3	152.6	0	112.1	D338 C565 F566	D338-K544 HydrophobicContact CB-CB 4.5Å; D338-K544 HydrophobicContact CB-CD 4.3Å; D338-K544 HydrophobicContact CB-CG 4.5Å; D338-K544 PolarHBondContact O-N 3.33Å; D338-K544 IonicContact OD1-NZ 2.74Å; D338-K544 IonicContact OD2-NZ 3.36Å; D338-K544 PolarHBondContact OD2-NZ 3.14Å; K544-C565 CarbonylContact O-C 3.14Å; K544-C565 VanDerWaalsContact O-CA 3.28Å; K544-C565 WeakPolarHBondContact O-CA 3.43Å; K544-F566 PolarHBondContact O-N 3.14Å
545	V	97.5	Very high	94.7	Very high	3 Å²	3	39 Å²	39	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.7	177.4	-178.1	0	0	0	0	109.2	V330 L331 V334 D338 V339 A340 P543 F566 I568	V330-V545 HydrophobicContact CG1-CB 4.38Å; V330-V545 HydrophobicContact CG1-CG1 4.1Å; V330-V545 HydrophobicContact CG1-CG2 3.32Å; L331-V545 HydrophobicContact CD2-CG1 4.17Å; V334-V545 HydrophobicContact CG1-CG2 3.73Å; V334-V545 HydrophobicContact CG2-CB 4.5Å; V334-V545 HydrophobicContact CG2-CG2 4.08Å; D338-V545 PolarHBondContact O-N 2.92Å; V339-V545 WeakPolarHBondContact CA-O 3.11Å; V339-V545 HydrophobicContact CB-CB 4.37Å; V339-V545 HydrophobicContact CG2-CB 4.12Å; V339-V545 HydrophobicContact CG2-CG1 4.18Å; A340-V545 PolarHBondContact N-O 3.22Å; P543-V545 WeakPolarHBondContact CB-O 3.24Å; V545-F566 WeakPolarHBondContact CA-O 3.29Å; V545-F566 HydrophobicContact CG2-CB 4.47Å; V545-I568 HydrophobicContact CG1-CD1 3.95Å
546	L	97.8	Very high	94.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.6	178.9	-178.5	64.3	0	0	0	110.5	A340 I342 I538 P543 L548 I556 L561 F566 I567 I568	A340-L546 HydrophobicContact CB-CD1 4.12Å; A340-L546 WeakPolarHBondContact O-CA 3.32Å; I342-L546 HydrophobicContact CD1-CD1 4.05Å; I342-L546 HydrophobicContact CD1-CD2 4.3Å; I342-L546 HydrophobicContact CG1-CD1 4.07Å; I538-L546 HydrophobicContact CD1-CD1 4.08Å; P543-L546 HydrophobicContact CG-CB 4.29Å; P543-L546 HydrophobicContact CG-CD1 4.33Å; L546-L548 HydrophobicContact CD1-CD2 4.44Å; L546-L548 HydrophobicContact CD2-CD2 3.82Å; L546-L548 HydrophobicContact CD2-CG 4.41Å; L546-L548 HydrophobicContact CG-CD2 3.9Å; L546-L548 HydrophobicContact CG-CG 4.36Å; L546-I556 HydrophobicContact CD2-CG2 4.25Å; L546-L561 HydrophobicContact CD2-CD1 3.58Å; L546-L561 HydrophobicContact CD2-CD2 4.13Å; L546-L561 HydrophobicContact CD2-CG 4.49Å; L546-F566 PolarHBondContact N-O 2.75Å; L546-I567 HydrophobicContact CB-CG1 4.45Å; L546-I567 WeakPolarHBondContact O-CA 3.37Å; L546-I568 PolarHBondContact O-N 2.81Å
547	F	98.2	Very high	94.6	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.013	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	115.4	174.1	-154.7	-75.6	0	0	0	110.4	A340 A341 I342 L355 L549 I568 Q570 L585 I627	A340-F547 PolarHBondContact O-N 3.4Å; A341-F547 CarbonylContact C-O 3.53Å; A341-F547 WeakPolarHBondContact CA-O 3.41Å; A341-F547 HydrophobicContact CB-CB 4.04Å; I342-F547 PolarHBondContact N-O 2.89Å; L355-F547 HydrophobicContact CD1-CB 4.48Å; L355-F547 HydrophobicContact CD1-CD1 3.84Å; L355-F547 HydrophobicContact CD1-CD2 4.27Å; L355-F547 HydrophobicContact CD1-CE1 4.08Å; L355-F547 HydrophobicContact CD1-CE2 4.49Å; L355-F547 HydrophobicContact CD1-CG 3.93Å; L355-F547 HydrophobicContact CD1-CZ 4.4Å; L355-F547 HydrophobicContact CD2-CD1 3.83Å; L355-F547 HydrophobicContact CD2-CE1 4.32Å; L355-F547 HydrophobicContact CD2-CG 4.46Å; F547-L549 HydrophobicContact CD1-CB 4.31Å; F547-L549 HydrophobicContact CE1-CB 4.32Å; F547-L549 HydrophobicContact CE1-CD1 4.38Å; F547-I568 CarbonylContact C-O 3.49Å; F547-I568 HydrophobicContact CD2-CB 3.93Å; F547-I568 HydrophobicContact CD2-CD1 3.97Å; F547-I568 HydrophobicContact CD2-CG2 3.84Å; F547-I568 HydrophobicContact CE2-CB 4.22Å; F547-I568 HydrophobicContact CE2-CD1 4.41Å; F547-I568 HydrophobicContact CE2-CG2 3.59Å; F547-I568 HydrophobicContact CG-CB 4.46Å; F547-I568 HydrophobicContact CZ-CG2 4.11Å; F547-Q570 HydrophobicContact CE1-CB 3.71Å; F547-Q570 HydrophobicContact CZ-CB 3.94Å; F547-L585 HydrophobicContact CE2-CD1 4.42Å; F547-L585 HydrophobicContact CZ-CD1 4.19Å; F547-I627 HydrophobicContact CE2-CD1 4.05Å; F547-I627 HydrophobicContact CZ-CD1 4.33Å
548	L	98.3	Very high	94.5	Very high	7 Å²	7	40 Å²	40	4%	0.037	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	105.2	174.6	-60	-177.4	0	0	0	108.6	I342 L546 G550 A551 I567 I568 Y569 Q570 M580	I342-L548 HydrophobicContact CB-CD2 3.88Å; I342-L548 HydrophobicContact CD1-CD2 3.84Å; I342-L548 HydrophobicContact CG1-CD2 4.21Å; L546-L548 HydrophobicContact CD1-CD2 4.44Å; L546-L548 HydrophobicContact CD2-CD2 3.82Å; L546-L548 HydrophobicContact CD2-CG 4.41Å; L546-L548 HydrophobicContact CG-CD2 3.9Å; L546-L548 HydrophobicContact CG-CG 4.36Å; L548-G550 PolarHBondContact O-N 3.04Å; L548-A551 HydrophobicContact CB-CB 4.22Å; L548-A551 HydrophobicContact CD2-CB 4.2Å; L548-I567 HydrophobicContact CD1-CG2 3.77Å; L548-I567 HydrophobicContact CG-CG2 4.07Å; L548-I568 PolarHBondContact N-O 3.34Å; L548-Y569 HydrophobicContact CB-CD2 3.73Å; L548-Y569 HydrophobicContact CD1-CD2 4.22Å; L548-Y569 CarbonylContact O-C 3.44Å; L548-Y569 WeakPolarHBondContact O-CA 3.41Å; L548-Q570 PolarHBondContact O-N 2.79Å; L548-M580 HydrophobicContact CD1-CE 4.12Å; L548-M580 HydrophobicContact CD1-CG 4.4Å; L548-M580 HydrophobicContact CD1-SD 4.23Å
549	L	98.3	Very high	94.4	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	91.5	176	-175.5	59.1	0	0	0	108.6	I342 G344 V347 A351 L355 F547 A551 Q570 I624	I342-L549 PolarHBondContact O-N 2.64Å; G344-L549 PolarHBondContact N-O 3.42Å; V347-L549 HydrophobicContact CG1-CD2 3.4Å; V347-L549 HydrophobicContact CG1-CG 3.75Å; V347-L549 HydrophobicContact CG2-CB 4.45Å; V347-L549 HydrophobicContact CG2-CD2 4.36Å; V347-L549 HydrophobicContact CG2-CG 3.85Å; V347-L549 WeakPolarHBondContact CG2-O 3.33Å; A351-L549 HydrophobicContact CB-CD2 3.98Å; L355-L549 HydrophobicContact CB-CD2 4.46Å; L355-L549 HydrophobicContact CD2-CB 3.99Å; L355-L549 HydrophobicContact CD2-CD2 3.89Å; F547-L549 HydrophobicContact CD1-CB 4.31Å; F547-L549 HydrophobicContact CE1-CB 4.32Å; F547-L549 HydrophobicContact CE1-CD1 4.38Å; L549-A551 PolarHBondContact O-N 3.29Å; L549-A551 VanDerWaalsContact O-N 3.16Å; L549-Q570 CarbonylContact C-O 3.33Å; L549-Q570 WeakPolarHBondContact CA-O 3.41Å; L549-Q570 HydrophobicContact CD1-CB 3.96Å; L549-Q570 HydrophobicContact CD1-CG 3.82Å; L549-I624 HydrophobicContact CD1-CD1 4.49Å; L549-I624 HydrophobicContact CD2-CD1 4.29Å
550	G	96.8	Very high	94.3	Very high	18 Å²	18	46.2 Å²	46.2	19%	0.186	25%	0.25	C	C	.	.	S	Bend	trans	63	20.8	179.3	0	0	0	0	0	114.1	G344 L548 D552 Q570	G344-G550 WeakPolarHBondContact CA-O 3.36Å; L548-G550 PolarHBondContact O-N 3.04Å; G550-D552 PolarHBondContact O-N 3.17Å; G550-Q570 PolarHBondContact N-O 3.08Å
551	A	97.1	Very high	94.4	Very high	5 Å²	5	39.7 Å²	39.7	4%	0.041	22%	0.222	C	C	.	.			trans	-81.1	108.9	-176.6	0	0	0	0	0	110.8	I342 E370 L548 L549 G577	I342-A551 HydrophobicContact CB-CB 4.26Å; I342-A551 HydrophobicContact CG2-CB 3.78Å; E370-A551 HydrophobicContact CG-CB 4.17Å; E370-A551 WeakPolarHBondContact OE1-CA 3.33Å; E370-A551 WeakPolarHBondContact OE1-CB 3.3Å; L548-A551 HydrophobicContact CB-CB 4.22Å; L548-A551 HydrophobicContact CD2-CB 4.2Å; L549-A551 PolarHBondContact O-N 3.29Å; L549-A551 VanDerWaalsContact O-N 3.16Å; A551-G577 WeakPolarHBondContact O-CA 3.33Å
552	D	94.6	Very high	94.4	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.037	21%	0.212	C	C	.	.			trans	-131.3	12.8	-175.4	-76.4	-43.8	0	0	0	113.3	E370 G550 G554 Y569 V576 G577 S700 R703	E370-D552 PolarHBondContact OE1-N 2.93Å; G550-D552 PolarHBondContact O-N 3.17Å; D552-G554 VanDerWaalsContact C-N 3.31Å; D552-Y569 PolarHBondContact OD1-OH 3.31Å; D552-Y569 PolarHBondContact OD2-OH 3.26Å; D552-V576 HydrophobicContact CB-CB 4.35Å; D552-V576 WeakPolarHBondContact O-CB 3.27Å; D552-V576 WeakPolarHBondContact O-CG2 3.46Å; D552-V576 PolarHBondContact OD1-N 3.12Å; D552-V576 VanDerWaalsContact OD1-N 3.1Å; D552-G577 PolarHBondContact OD1-N 3.42Å; D552-S700 VanDerWaalsContact OD2-CB 3.31Å; D552-S700 WeakPolarHBondContact OD2-CB 3.33Å; D552-R703 PolarHBondContact O-NH2 3.18Å
553	S	89.4	Confident	94.2	Very high	70 Å²	70	44.4 Å²	44.4	49%	0.49	24%	0.236	S	C	.	.	S	Bend	trans	-82.1	-9.2	179	-64	0	0	0	0	113.2	E370 C555	E370-S553 WeakPolarHBondContact OE1-CB 3.46Å; E370-S553 PolarHBondContact OE1-N 3.21Å; E370-S553 PolarHBondContact OE1-OG 3.28Å; E370-S553 WeakPolarHBondContact OE2-CB 3.3Å; E370-S553 PolarHBondContact OE2-OG 2.7Å; S553-C555 VanDerWaalsContact C-N 3.32Å; S553-C555 PolarHBondContact O-N 2.99Å
554	G	90.2	Very high	94	Very high	38 Å²	38	50 Å²	50	39%	0.392	27%	0.267	S	S	.	.			trans	73.5	20	179.1	0	0	0	0	0	114.4	D552 I556	D552-G554 VanDerWaalsContact C-N 3.31Å; G554-I556 PolarHBondContact O-N 3.47Å
555	C	91.6	Very high	94	Very high	37 Å²	37	45.6 Å²	45.6	25%	0.25	25%	0.247	C	C	.	.	S	Bend	trans	-64.4	-22.9	-178.9	-58.5	0	0	0	0	113.5	E370 V535 R539 S553	E370-C555 PolarHBondContact O-SG 2.81Å; E370-C555 VanDerWaalsContact O-SG 3.35Å; V535-C555 HydrophobicContact CG1-CB 4.02Å; V535-C555 HydrophobicContact CG2-CB 4.11Å; R539-C555 PolarHBondContact NH2-O 2.81Å; S553-C555 VanDerWaalsContact C-N 3.32Å; S553-C555 PolarHBondContact O-N 2.99Å
556	I	93.2	Very high	93.9	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.056	26%	0.257	C	S	.	.	S	Bend	trans	-132	138	175.3	-70.5	-65.9	0	0	0	108.5	I342 V535 I538 R539 L546 G554 D560 L561	I342-I556 HydrophobicContact CD1-CB 4.01Å; I342-I556 HydrophobicContact CD1-CG1 3.68Å; V535-I556 HydrophobicContact CB-CD1 3.94Å; V535-I556 HydrophobicContact CB-CG1 3.78Å; V535-I556 HydrophobicContact CG1-CG1 3.98Å; V535-I556 HydrophobicContact CG2-CD1 3.79Å; V535-I556 HydrophobicContact CG2-CG1 3.9Å; I538-I556 HydrophobicContact CG2-CD1 4.46Å; R539-I556 HydrophobicContact CG-CD1 3.66Å; L546-I556 HydrophobicContact CD2-CG2 4.25Å; G554-I556 PolarHBondContact O-N 3.47Å; I556-D560 HydrophobicContact CD1-CB 4.2Å; I556-D560 HydrophobicContact CG2-CB 4.33Å; I556-L561 HydrophobicContact CG2-CD1 3.95Å; I556-L561 HydrophobicContact CG2-CD2 4.19Å; I556-L561 HydrophobicContact CG2-CG 4.01Å
557	T	93.1	Very high	93.9	Very high	60 Å²	60	47.8 Å²	47.8	37%	0.368	26%	0.257	S	S	.	.			trans	-118.6	168.2	175	68.9	0	0	0	0	110.5	Q559 D560	T557-Q559 PolarHBondContact O-N 2.88Å; T557-Q559 PolarHBondContact OG1-N 2.79Å; T557-D560 PolarHBondContact N-OD2 2.93Å; T557-D560 PolarHBondContact O-N 3.16Å; T557-D560 PolarHBondContact OG1-OD2 2.71Å
558	R	90.2	Very high	93.9	Very high	88 Å²	88	47.6 Å²	47.6	33%	0.332	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-59.5	-19.9	175.8	-163.7	68.8	177.4	-145.6	7.1	113.1	D560 L561 K563 C565 M580 D582	R558-D560 VanDerWaalsContact C-N 3.33Å; R558-L561 PolarHBondContact O-N 3.17Å; R558-K563 PolarHBondContact NH2-O 2.93Å; R558-C565 VanDerWaalsContact CZ-O 3.28Å; R558-C565 PolarHBondContact NH1-O 2.85Å; R558-C565 PolarHBondContact NH2-O 2.84Å; R558-M580 PolarHBondContact NH1-O 2.89Å; R558-D582 IonicContact CZ-OD2 3.67Å; R558-D582 IonicContact NH1-OD1 3.64Å; R558-D582 PolarHBondContact NH1-OD1 3.05Å; R558-D582 IonicContact NH1-OD2 3.16Å; R558-D582 PolarHBondContact NH1-OD2 2.8Å; R558-D582 IonicContact NH2-OD2 2.63Å
559	Q	91.4	Very high	93.9	Very high	186 Å²	186	47.3 Å²	47.3	87%	0.869	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-74	-25.8	177.8	-61.3	176.9	7.3	0	0	112.6	T557 L561	T557-Q559 PolarHBondContact O-N 2.88Å; T557-Q559 PolarHBondContact OG1-N 2.79Å; Q559-L561 PolarHBondContact O-N 2.66Å
560	D	92.1	Very high	93.9	Very high	48 Å²	48	47.2 Å²	47.2	26%	0.257	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-81.5	-5.3	179	-55.8	-65.3	0	0	0	112.3	R539 I556 T557 R558	R539-D560 IonicContact CZ-OD1 3.81Å; R539-D560 IonicContact NH1-OD1 3.44Å; R539-D560 PolarHBondContact NH1-OD1 2.78Å; R539-D560 IonicContact NH1-OD2 3.38Å; R539-D560 IonicContact NH2-OD1 2.89Å; R539-D560 IonicContact NH2-OD2 2.67Å; I556-D560 HydrophobicContact CD1-CB 4.2Å; I556-D560 HydrophobicContact CG2-CB 4.33Å; T557-D560 PolarHBondContact N-OD2 2.93Å; T557-D560 PolarHBondContact O-N 3.16Å; T557-D560 PolarHBondContact OG1-OD2 2.71Å; R558-D560 VanDerWaalsContact C-N 3.33Å
561	L	93.9	Very high	94	Very high	16 Å²	16	46.5 Å²	46.5	8%	0.084	25%	0.246	C	C	.	.	S	Bend	trans	-119.1	157.1	-170.4	-61	171.4	0	0	0	111.7	I538 P542 L546 I556 R558 Q559 C565 I567 M580	I538-L561 HydrophobicContact CG2-CD2 4.32Å; P542-L561 HydrophobicContact CB-CD2 4.47Å; L546-L561 HydrophobicContact CD2-CD1 3.58Å; L546-L561 HydrophobicContact CD2-CD2 4.13Å; L546-L561 HydrophobicContact CD2-CG 4.49Å; I556-L561 HydrophobicContact CG2-CD1 3.95Å; I556-L561 HydrophobicContact CG2-CD2 4.19Å; I556-L561 HydrophobicContact CG2-CG 4.01Å; R558-L561 PolarHBondContact O-N 3.17Å; Q559-L561 PolarHBondContact O-N 2.66Å; L561-C565 HydrophobicContact CB-CB 3.97Å; L561-I567 HydrophobicContact CD1-CD1 3.62Å; L561-I567 HydrophobicContact CD1-CG1 4.33Å; L561-M580 HydrophobicContact CD1-CE 4.28Å
562	P	93.5	Very high	94	Very high	36 Å²	36	46.8 Å²	46.8	23%	0.234	25%	0.247	C	C	.	.			trans	-60.1	151.1	172.4	-21.4	34.7	0	0	0	110.9	P542 P543 D564 C565	P542-P562 HydrophobicContact CB-CG 4.46Å; P542-P562 HydrophobicContact CG-CG 4.42Å; P543-P562 WeakPolarHBondContact O-CD 3.33Å; P562-D564 WeakPolarHBondContact CB-OD1 3.41Å; P562-D564 PolarHBondContact O-N 3.29Å; P562-C565 WeakPolarHBondContact O-CB 3.34Å; P562-C565 PolarHBondContact O-N 3.18Å
563	K	89.8	Confident	94.2	Very high	202 Å²	202	46.4 Å²	46.4	88%	0.878	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-36.3	-178.5	-71.9	-174.1	177.3	-179.2	0	112.2	R558 C565	R558-K563 PolarHBondContact NH2-O 2.93Å; K563-C565 VanDerWaalsContact C-N 3.31Å
564	D	90.7	Very high	94.3	Very high	119 Å²	119	44.4 Å²	44.4	64%	0.636	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	7.5	178.6	61.4	-36.2	0	0	0	113.8	P562 F566	P562-D564 WeakPolarHBondContact CB-OD1 3.41Å; P562-D564 PolarHBondContact O-N 3.29Å; D564-F566 PolarHBondContact O-N 3.25Å
565	C	95.6	Very high	94.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	23%	0.229	C	C	.	.			trans	-61.7	123.5	175.6	-168	0	0	0	0	110.9	P543 K544 R558 L561 P562 K563	P543-C565 PolarHBondContact O-SG 3.14Å; K544-C565 CarbonylContact O-C 3.14Å; K544-C565 VanDerWaalsContact O-CA 3.28Å; K544-C565 WeakPolarHBondContact O-CA 3.43Å; R558-C565 VanDerWaalsContact CZ-O 3.28Å; R558-C565 PolarHBondContact NH1-O 2.85Å; R558-C565 PolarHBondContact NH2-O 2.84Å; L561-C565 HydrophobicContact CB-CB 3.97Å; P562-C565 WeakPolarHBondContact O-CB 3.34Å; P562-C565 PolarHBondContact O-N 3.18Å; K563-C565 VanDerWaalsContact C-N 3.31Å
566	F	96.8	Very high	94.6	Very high	49 Å²	49	46 Å²	46	22%	0.215	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.1	175	-169.7	-94.2	0	0	0	110.1	V330 K544 V545 L546 D564 I568 D582 V583	V330-F566 HydrophobicContact CB-CD1 4.32Å; V330-F566 HydrophobicContact CB-CE1 4.45Å; V330-F566 HydrophobicContact CG1-CB 4.23Å; V330-F566 HydrophobicContact CG1-CD1 3.78Å; V330-F566 HydrophobicContact CG1-CE1 4.38Å; V330-F566 HydrophobicContact CG1-CG 4.1Å; V330-F566 HydrophobicContact CG2-CD1 4.16Å; V330-F566 HydrophobicContact CG2-CD2 4.47Å; V330-F566 HydrophobicContact CG2-CE1 4.12Å; V330-F566 HydrophobicContact CG2-CE2 4.44Å; V330-F566 HydrophobicContact CG2-CG 4.31Å; V330-F566 HydrophobicContact CG2-CZ 4.25Å; K544-F566 PolarHBondContact O-N 3.14Å; V545-F566 WeakPolarHBondContact CA-O 3.29Å; V545-F566 HydrophobicContact CG2-CB 4.47Å; L546-F566 PolarHBondContact N-O 2.75Å; D564-F566 PolarHBondContact O-N 3.25Å; F566-I568 HydrophobicContact CD1-CD1 4.19Å; F566-I568 HydrophobicContact CD1-CG1 3.79Å; F566-I568 HydrophobicContact CE1-CD1 4.18Å; F566-I568 HydrophobicContact CE1-CG1 3.62Å; F566-D582 HydrophobicContact CD2-CB 3.98Å; F566-D582 HydrophobicContact CE2-CB 3.88Å; F566-D582 HydrophobicContact CZ-CB 4.38Å; F566-V583 HydrophobicContact CE1-CB 4.48Å; F566-V583 HydrophobicContact CE1-CG2 4.16Å; F566-V583 HydrophobicContact CE2-CG2 4.45Å; F566-V583 HydrophobicContact CZ-CB 4.29Å; F566-V583 HydrophobicContact CZ-CG2 3.55Å
567	I	97.4	Very high	94.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.9	-173.3	-54.1	-177.4	0	0	0	109.9	L546 L548 L561 M580 A581 D582 V583	L546-I567 HydrophobicContact CB-CG1 4.45Å; L546-I567 WeakPolarHBondContact O-CA 3.37Å; L548-I567 HydrophobicContact CD1-CG2 3.77Å; L548-I567 HydrophobicContact CG-CG2 4.07Å; L561-I567 HydrophobicContact CD1-CD1 3.62Å; L561-I567 HydrophobicContact CD1-CG1 4.33Å; I567-M580 HydrophobicContact CD1-CE 3.54Å; I567-M580 HydrophobicContact CG2-CE 4.44Å; I567-A581 HydrophobicContact CG2-CB 4.34Å; I567-D582 PolarHBondContact N-OD2 2.92Å; I567-D582 PolarHBondContact O-N 2.92Å; I567-V583 PolarHBondContact O-N 2.68Å
568	I	98.2	Very high	94.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116.9	176.4	-58	155.8	0	0	0	107.3	V327 V545 L546 F547 L548 F566 L585	V327-I568 HydrophobicContact CB-CD1 4.44Å; V327-I568 HydrophobicContact CG1-CD1 3.63Å; V327-I568 HydrophobicContact CG1-CG1 4.41Å; V327-I568 HydrophobicContact CG2-CD1 4.22Å; V327-I568 HydrophobicContact CG2-CG1 4.14Å; V327-I568 HydrophobicContact CG2-CG2 4.29Å; V545-I568 HydrophobicContact CG1-CD1 3.95Å; L546-I568 PolarHBondContact O-N 2.81Å; F547-I568 CarbonylContact C-O 3.49Å; F547-I568 HydrophobicContact CD2-CB 3.93Å; F547-I568 HydrophobicContact CD2-CD1 3.97Å; F547-I568 HydrophobicContact CD2-CG2 3.84Å; F547-I568 HydrophobicContact CE2-CB 4.22Å; F547-I568 HydrophobicContact CE2-CD1 4.41Å; F547-I568 HydrophobicContact CE2-CG2 3.59Å; F547-I568 HydrophobicContact CG-CB 4.46Å; F547-I568 HydrophobicContact CZ-CG2 4.11Å; L548-I568 PolarHBondContact N-O 3.34Å; F566-I568 HydrophobicContact CD1-CD1 4.19Å; F566-I568 HydrophobicContact CD1-CG1 3.79Å; F566-I568 HydrophobicContact CE1-CD1 4.18Å; F566-I568 HydrophobicContact CE1-CG1 3.62Å; I568-L585 HydrophobicContact CG2-CD1 3.66Å; I568-L585 HydrophobicContact CG2-CG 4.14Å
569	Y	98.4	Very high	94.9	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.7	174.5	178.9	-94.2	0	0	0	110.2	L303 L548 D552 H573 G577 A578 A581 V583 I584 L585	L303-Y569 HydrophobicContact CD1-CD1 3.99Å; L303-Y569 HydrophobicContact CD1-CE1 3.54Å; L548-Y569 HydrophobicContact CB-CD2 3.73Å; L548-Y569 HydrophobicContact CD1-CD2 4.22Å; L548-Y569 CarbonylContact O-C 3.44Å; L548-Y569 WeakPolarHBondContact O-CA 3.41Å; D552-Y569 PolarHBondContact OD1-OH 3.31Å; D552-Y569 PolarHBondContact OD2-OH 3.26Å; Y569-H573 WeakPolarHBondContact CE1-O 3.44Å; Y569-H573 PolarHBondContact OH-O 2.8Å; Y569-G577 VanDerWaalsContact CD2-C 3.49Å; Y569-A578 HydrophobicContact CD1-CB 3.68Å; Y569-A578 HydrophobicContact CE1-CB 3.69Å; Y569-A578 HydrophobicContact CG-CB 4.24Å; Y569-A581 VanDerWaalsContact CB-CB 3.48Å; Y569-V583 PolarHBondContact N-O 3.32Å; Y569-I584 HydrophobicContact CD1-CG2 4.36Å; Y569-I584 CarbonylContact O-C 3.56Å; Y569-I584 WeakPolarHBondContact O-CA 3.11Å; Y569-L585 PolarHBondContact O-N 2.78Å
570	Q	98.5	Very high	95	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111.8	169.2	-179.9	-180	-29	0	0	109.2	F547 L548 L549 G550 L585 D620 I623	F547-Q570 HydrophobicContact CE1-CB 3.71Å; F547-Q570 HydrophobicContact CZ-CB 3.94Å; L548-Q570 PolarHBondContact O-N 2.79Å; L549-Q570 CarbonylContact C-O 3.33Å; L549-Q570 WeakPolarHBondContact CA-O 3.41Å; L549-Q570 HydrophobicContact CD1-CB 3.96Å; L549-Q570 HydrophobicContact CD1-CG 3.82Å; G550-Q570 PolarHBondContact N-O 3.08Å; Q570-L585 WeakPolarHBondContact CA-O 3.21Å; Q570-L585 HydrophobicContact CB-CB 4.02Å; Q570-L585 HydrophobicContact CB-CD1 4.33Å; Q570-L585 HydrophobicContact CG-CB 4.11Å; Q570-D620 PolarHBondContact NE2-O 2.91Å; Q570-D620 PolarHBondContact NE2-OD1 2.95Å; Q570-I623 HydrophobicContact CG-CD1 4.23Å
571	G	97.8	Very high	95.2	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	178.1	-179.6	0	0	0	0	0	112	L303 L585 G587	L303-G571 WeakPolarHBondContact CD1-O 3.45Å; G571-L585 PolarHBondContact N-O 3.41Å; G571-L585 VanDerWaalsContact N-O 3.15Å; G571-G587 PolarHBondContact O-N 3Å
572	H	98	Very high	95.4	Very high	11 Å²	11	33.2 Å²	33.2	5%	0.051	18%	0.181	C	C	.	.	S	Bend	trans	-105.6	-19.5	-175.6	54.6	67.1	0	0	0	114	R302 L303 G587 A589 S700	R302-H572 WeakPolarHBondContact CA-O 3.48Å; R302-H572 WeakPolarHBondContact CD-O 3.28Å; R302-H572 PolarHBondContact NE-O 3.11Å; R302-H572 VanDerWaalsContact NE-O 3.13Å; L303-H572 PolarHBondContact N-O 3.42Å; H572-G587 WeakPolarHBondContact CB-O 3.32Å; H572-A589 HydrophobicContact CB-CB 4.47Å; H572-S700 PolarHBondContact CE1-OG 3.35Å
573	H	98.2	Very high	95.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-119.3	146.3	174.9	-74.5	113.3	0	0	0	110.8	G297 R300 Q301 R302 Y569	G297-H573 PolarHBondContact O-NE2 2.94Å; R300-H573 PolarHBondContact O-CD2 3.22Å; R300-H573 PolarHBondContact O-NE2 2.91Å; Q301-H573 WeakPolarHBondContact O-CA 3.36Å; R302-H573 WeakPolarHBondContact CD-NE2 3.32Å; Y569-H573 WeakPolarHBondContact CE1-O 3.44Å; Y569-H573 PolarHBondContact OH-O 2.8Å
574	G	92.4	Very high	96	Very high	28 Å²	28	22.1 Å²	22.1	29%	0.289	13%	0.129	S	C	.	.			trans	-95.4	88.6	171.4	0	0	0	0	0	111.2	Q301	Q301-G574 PolarHBondContact O-N 3.38Å; Q301-G574 VanDerWaalsContact O-N 3.16Å
575	D	92.4	Very high	96.3	Very high	47 Å²	47	16.4 Å²	16.4	25%	0.251	10%	0.099	S	C	.	.	S	Bend	trans	-119.7	-94.7	-176.5	-175.5	20.8	0	0	0	112	P579 R703	D575-P579 WeakPolarHBondContact O-CD 3.14Å; D575-P579 WeakPolarHBondContact O-CG 3.45Å; D575-R703 IonicContact OD2-CZ 3.48Å; D575-R703 IonicContact OD2-NE 3.65Å; D575-R703 PolarHBondContact OD2-NE 2.94Å; D575-R703 IonicContact OD2-NH2 3.63Å; D575-R703 PolarHBondContact OD2-NH2 3.31Å
576	V	94.6	Very high	96.5	Very high	61 Å²	61	16.4 Å²	16.4	37%	0.37	10%	0.098	S	C	.	.	S	Bend	trans	-96.9	-46.1	-173.7	179.3	0	0	0	0	111.6	D552 P579	D552-V576 HydrophobicContact CB-CB 4.35Å; D552-V576 WeakPolarHBondContact O-CB 3.27Å; D552-V576 WeakPolarHBondContact O-CG2 3.46Å; D552-V576 PolarHBondContact OD1-N 3.12Å; D552-V576 VanDerWaalsContact OD1-N 3.1Å; V576-P579 WeakPolarHBondContact O-CD 3.06Å
577	G	94.1	Very high	96.5	Very high	1 Å²	1	14 Å²	14	1%	0.01	9%	0.088	C	C	.	.	H	α-helix	trans	-76.7	-32.2	-177.4	0	0	0	0	0	113.3	A551 D552 Y569 M580 A581	A551-G577 WeakPolarHBondContact O-CA 3.33Å; D552-G577 PolarHBondContact OD1-N 3.42Å; Y569-G577 VanDerWaalsContact CD2-C 3.49Å; G577-M580 WeakPolarHBondContact O-CG 3.46Å; G577-A581 PolarHBondContact O-N 3.38Å
578	A	95.1	Very high	96.6	Very high	3 Å²	3	14 Å²	14	3%	0.025	9%	0.088	C	C	.	.	H	α-helix	trans	-66	-45	-176.4	0	0	0	0	0	114	F315 Y569 M580 A581 I584	F315-A578 WeakPolarHBondContact CZ-O 3.46Å; Y569-A578 HydrophobicContact CD1-CB 3.68Å; Y569-A578 HydrophobicContact CE1-CB 3.69Å; Y569-A578 HydrophobicContact CG-CB 4.24Å; A578-M580 VanDerWaalsContact C-N 3.27Å; A578-M580 PolarHBondContact O-N 2.92Å; A578-A581 VanDerWaalsContact O-CB 3.29Å; A578-A581 WeakPolarHBondContact O-CB 3.42Å; A578-A581 PolarHBondContact O-N 3.39Å; A578-A581 VanDerWaalsContact O-N 3.15Å; A578-I584 HydrophobicContact CB-CD1 4.11Å
579	P	94.6	Very high	96.6	Very high	79 Å²	79	14 Å²	14	51%	0.513	9%	0.088	S	C	.	.	H	α-helix	trans	-63.9	-28.9	-178.7	-24.4	35.8	0	0	0	114.3	D575 V576 A581	D575-P579 WeakPolarHBondContact O-CD 3.14Å; D575-P579 WeakPolarHBondContact O-CG 3.45Å; V576-P579 WeakPolarHBondContact O-CD 3.06Å; P579-A581 VanDerWaalsContact C-N 3.35Å
580	M	93.5	Very high	96.6	Very high	32 Å²	32	14.2 Å²	14.2	16%	0.158	9%	0.089	C	C	.	.	H	α-helix	trans	-81.1	-14.9	178.2	60.8	179.1	-80.7	0	0	113.7	L548 R558 L561 I567 G577 A578	L548-M580 HydrophobicContact CD1-CE 4.12Å; L548-M580 HydrophobicContact CD1-CG 4.4Å; L548-M580 HydrophobicContact CD1-SD 4.23Å; R558-M580 PolarHBondContact NH1-O 2.89Å; L561-M580 HydrophobicContact CD1-CE 4.28Å; I567-M580 HydrophobicContact CD1-CE 3.54Å; I567-M580 HydrophobicContact CG2-CE 4.44Å; G577-M580 WeakPolarHBondContact O-CG 3.46Å; A578-M580 VanDerWaalsContact C-N 3.27Å; A578-M580 PolarHBondContact O-N 2.92Å
581	A	96.3	Very high	96.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.089	C	C	.	.			trans	-67.6	155	-177.3	0	0	0	0	0	112.8	K309 F315 I567 Y569 G577 A578 P579 I584	K309-A581 WeakPolarHBondContact CE-O 3.11Å; K309-A581 PolarHBondContact NZ-O 3.45Å; F315-A581 HydrophobicContact CZ-CB 4.46Å; F315-A581 WeakPolarHBondContact CZ-O 3.19Å; I567-A581 HydrophobicContact CG2-CB 4.34Å; Y569-A581 VanDerWaalsContact CB-CB 3.48Å; G577-A581 PolarHBondContact O-N 3.38Å; A578-A581 VanDerWaalsContact O-CB 3.29Å; A578-A581 WeakPolarHBondContact O-CB 3.42Å; A578-A581 PolarHBondContact O-N 3.39Å; A578-A581 VanDerWaalsContact O-N 3.15Å; P579-A581 VanDerWaalsContact C-N 3.35Å; A581-I584 HydrophobicContact CB-CG1 4.08Å
582	D	96.4	Very high	96.6	Very high	26 Å²	26	14.8 Å²	14.8	14%	0.139	9%	0.091	C	C	.	.	S	Bend	trans	-95.3	-29.3	169.4	-60	-59.6	0	0	0	110.8	K309 R558 F566 I567	K309-D582 PolarHBondContact N-O 3.31Å; K309-D582 IonicContact NZ-OD1 2.7Å; R558-D582 IonicContact CZ-OD2 3.67Å; R558-D582 IonicContact NH1-OD1 3.64Å; R558-D582 PolarHBondContact NH1-OD1 3.05Å; R558-D582 IonicContact NH1-OD2 3.16Å; R558-D582 PolarHBondContact NH1-OD2 2.8Å; R558-D582 IonicContact NH2-OD2 2.63Å; F566-D582 HydrophobicContact CD2-CB 3.98Å; F566-D582 HydrophobicContact CE2-CB 3.88Å; F566-D582 HydrophobicContact CZ-CB 4.38Å; I567-D582 PolarHBondContact N-OD2 2.92Å; I567-D582 PolarHBondContact O-N 2.92Å
583	V	97.7	Very high	96.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.3	172.7	165	0	0	0	0	110.2	M307 V308 V323 V327 F566 I567 Y569 L585	M307-V583 WeakPolarHBondContact O-CA 3.3Å; V308-V583 HydrophobicContact CB-CG2 4.34Å; V308-V583 HydrophobicContact CG2-CG2 4.01Å; V323-V583 HydrophobicContact CG1-CG1 3.28Å; V327-V583 HydrophobicContact CG2-CB 4.41Å; V327-V583 HydrophobicContact CG2-CG1 3.84Å; F566-V583 HydrophobicContact CE1-CB 4.48Å; F566-V583 HydrophobicContact CE1-CG2 4.16Å; F566-V583 HydrophobicContact CE2-CG2 4.45Å; F566-V583 HydrophobicContact CZ-CB 4.29Å; F566-V583 HydrophobicContact CZ-CG2 3.55Å; I567-V583 PolarHBondContact O-N 2.68Å; Y569-V583 PolarHBondContact N-O 3.32Å; V583-L585 HydrophobicContact CG1-CD2 3.82Å; V583-L585 HydrophobicContact CG1-CG 4.25Å
584	I	98.4	Very high	96.6	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.6	174.8	-63.9	171.4	0	0	0	109.9	L303 P306 M307 F315 Y569 A578 A581	L303-I584 HydrophobicContact CD1-CG2 3.58Å; L303-I584 HydrophobicContact CD2-CG2 4.02Å; L303-I584 HydrophobicContact CG-CG2 4.28Å; P306-I584 WeakPolarHBondContact CA-O 3.26Å; M307-I584 HydrophobicContact CB-CB 4.2Å; M307-I584 HydrophobicContact CB-CD1 4.46Å; M307-I584 PolarHBondContact N-O 3.49Å; M307-I584 VanDerWaalsContact N-O 3.13Å; M307-I584 PolarHBondContact O-N 3.24Å; M307-I584 HydrophobicContact SD-CD1 4.19Å; F315-I584 HydrophobicContact CD1-CD1 4.02Å; F315-I584 HydrophobicContact CD1-CG1 4.49Å; F315-I584 HydrophobicContact CD2-CD1 4.41Å; F315-I584 HydrophobicContact CE1-CD1 3.58Å; F315-I584 HydrophobicContact CE1-CG1 3.8Å; F315-I584 HydrophobicContact CE2-CD1 4.01Å; F315-I584 HydrophobicContact CG-CD1 4.4Å; F315-I584 HydrophobicContact CZ-CD1 3.55Å; F315-I584 HydrophobicContact CZ-CG1 4.03Å; Y569-I584 HydrophobicContact CD1-CG2 4.36Å; Y569-I584 CarbonylContact O-C 3.56Å; Y569-I584 WeakPolarHBondContact O-CA 3.11Å; A578-I584 HydrophobicContact CB-CD1 4.11Å; A581-I584 HydrophobicContact CB-CG1 4.08Å
585	L	98.4	Very high	96.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	110.5	176	-51.7	178.2	0	0	0	109	W320 V323 F547 I568 Y569 Q570 G571 V583 G587 I623 I627	W320-L585 HydrophobicContact CH2-CB 4.39Å; W320-L585 HydrophobicContact CZ3-CB 4.34Å; W320-L585 HydrophobicContact CZ3-CD2 4.07Å; V323-L585 HydrophobicContact CG1-CD2 3.3Å; F547-L585 HydrophobicContact CE2-CD1 4.42Å; F547-L585 HydrophobicContact CZ-CD1 4.19Å; I568-L585 HydrophobicContact CG2-CD1 3.66Å; I568-L585 HydrophobicContact CG2-CG 4.14Å; Y569-L585 PolarHBondContact O-N 2.78Å; Q570-L585 WeakPolarHBondContact CA-O 3.21Å; Q570-L585 HydrophobicContact CB-CB 4.02Å; Q570-L585 HydrophobicContact CB-CD1 4.33Å; Q570-L585 HydrophobicContact CG-CB 4.11Å; G571-L585 PolarHBondContact N-O 3.41Å; G571-L585 VanDerWaalsContact N-O 3.15Å; V583-L585 HydrophobicContact CG1-CD2 3.82Å; V583-L585 HydrophobicContact CG1-CG 4.25Å; L585-G587 PolarHBondContact O-N 3.25Å; L585-I623 HydrophobicContact CB-CG2 4.21Å; L585-I623 HydrophobicContact CD1-CG2 3.83Å; L585-I627 HydrophobicContact CD1-CD1 3.76Å
586	P	98.3	Very high	97.1	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	111.3	-177.8	29.6	-36.2	0	0	0	111.4	L303 P306 W320 A617 R618 I623	L303-P586 HydrophobicContact CB-CB 3.92Å; L303-P586 VanDerWaalsContact O-CB 3.24Å; L303-P586 WeakPolarHBondContact O-CB 3.48Å; P306-P586 HydrophobicContact CG-CG 4.15Å; W320-P586 HydrophobicContact CH2-CG 4.06Å; W320-P586 HydrophobicContact CZ2-CG 3.69Å; P586-A617 HydrophobicContact CB-CB 4.07Å; P586-A617 VanDerWaalsContact O-CA 3.31Å; P586-A617 WeakPolarHBondContact O-CA 3.49Å; P586-R618 PolarHBondContact O-N 2.83Å; P586-R618 VanDerWaalsContact O-N 3.11Å; P586-I623 WeakPolarHBondContact O-CD1 3.49Å
587	G	98.1	Very high	97.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.056	C	C	.	.	B	Isolated β-bridge	trans	-92.8	173.8	176.7	0	0	0	0	0	114.1	G571 H572 L585 R618 D620	G571-G587 PolarHBondContact O-N 3Å; H572-G587 WeakPolarHBondContact CB-O 3.32Å; L585-G587 PolarHBondContact O-N 3.25Å; G587-R618 CarbonylContact C-O 3.15Å; G587-R618 WeakPolarHBondContact CA-O 3.22Å; G587-D620 VanDerWaalsContact CA-OD1 3.22Å; G587-D620 WeakPolarHBondContact CA-OD1 3.49Å
588	A	98.4	Very high	97.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-91.7	141.2	-179.2	0	0	0	0	0	111.7	E592 K593 P613 R618 D620	A588-E592 HydrophobicContact CB-CB 4.11Å; A588-K593 HydrophobicContact CB-CB 4.3Å; A588-K593 HydrophobicContact CB-CD 4.09Å; A588-K593 PolarHBondContact O-NZ 2.73Å; A588-P613 HydrophobicContact CB-CB 4.39Å; A588-P613 HydrophobicContact CB-CG 3.79Å; A588-R618 PolarHBondContact N-O 2.72Å; A588-D620 PolarHBondContact N-OD1 2.88Å
589	A	98.3	Very high	97.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.056	C	C	.	.	P	Polyproline II helix	trans	-75.3	166.4	170.5	0	0	0	0	0	111.4	L298 H572 T591 E592 K593	L298-A589 HydrophobicContact CD2-CB 3.56Å; H572-A589 HydrophobicContact CB-CB 4.47Å; A589-T591 VanDerWaalsContact C-N 3.25Å; A589-T591 PolarHBondContact O-N 2.77Å; A589-E592 HydrophobicContact CB-CG 4.48Å; A589-E592 PolarHBondContact N-OE2 3.22Å; A589-E592 WeakPolarHBondContact O-CB 3.48Å; A589-E592 PolarHBondContact O-N 3.49Å; A589-K593 WeakPolarHBondContact O-CG 3.24Å
590	Y	98.4	Very high	97.9	Very high	4 Å²	4	5.7 Å²	5.7	2%	0.016	3%	0.032	C	C	.	.	G	3₁₀ helix	trans	-59.4	-29.6	-175.8	78.5	-77.8	0	0	0	114.7	I252 V254 I262 I274 L298 E592 I701	I252-Y590 WeakPolarHBondContact O-CD2 3.43Å; V254-Y590 HydrophobicContact CG1-CD2 4.28Å; V254-Y590 HydrophobicContact CG1-CG 4.33Å; V254-Y590 HydrophobicContact CG2-CD1 3.71Å; V254-Y590 HydrophobicContact CG2-CD2 3.88Å; V254-Y590 HydrophobicContact CG2-CE1 4.34Å; V254-Y590 HydrophobicContact CG2-CE2 4.47Å; V254-Y590 HydrophobicContact CG2-CG 3.46Å; V254-Y590 VanDerWaalsContact CG2-CG 3.46Å; I262-Y590 HydrophobicContact CD1-CE2 4.01Å; I274-Y590 VanDerWaalsContact CD1-OH 3.24Å; I274-Y590 WeakPolarHBondContact CD1-OH 3.42Å; L298-Y590 HydrophobicContact CD1-CE1 3.99Å; L298-Y590 HydrophobicContact CD2-CD1 4.32Å; L298-Y590 HydrophobicContact CD2-CE1 4.07Å; L298-Y590 HydrophobicContact CG-CE1 4.47Å; Y590-E592 PolarHBondContact O-N 2.84Å; Y590-I701 HydrophobicContact CD1-CD1 3.73Å; Y590-I701 HydrophobicContact CE1-CD1 3.85Å
591	T	98.4	Very high	98.1	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.024	C	C	.	.	G	3₁₀ helix	trans	-78.3	-6.9	175.8	56.9	0	0	0	0	113.9	V264 L298 A589 A610 V611	V264-T591 HydrophobicContact CG1-CG2 4.37Å; V264-T591 HydrophobicContact CG2-CG2 4.19Å; L298-T591 HydrophobicContact CD1-CG2 3.84Å; A589-T591 VanDerWaalsContact C-N 3.25Å; A589-T591 PolarHBondContact O-N 2.77Å; T591-A610 WeakPolarHBondContact O-CB 3.06Å; T591-A610 PolarHBondContact O-N 2.88Å; T591-V611 PolarHBondContact O-N 3.46Å
592	E	98.4	Very high	98.1	Very high	14 Å²	14	4.3 Å²	4.3	7%	0.065	3%	0.026	C	C	.	.	G	3₁₀ helix	trans	-108.4	-3.8	-170.6	-66.7	163.6	179.9	0	0	113.9	R302 A588 A589 Y590 V611 P613 P614	R302-E592 IonicContact CZ-OE1 3.13Å; R302-E592 IonicContact CZ-OE2 2.67Å; R302-E592 IonicContact NH1-OE1 3.79Å; R302-E592 PolarHBondContact NH1-OE1 3.49Å; R302-E592 IonicContact NH1-OE2 3.54Å; R302-E592 VanDerWaalsContact NH2-CD 3.34Å; R302-E592 IonicContact NH2-OE1 2.73Å; R302-E592 PolarHBondContact NH2-OE1 2.96Å; R302-E592 VanDerWaalsContact NH2-OE1 3.13Å; R302-E592 IonicContact NH2-OE2 3.63Å; R302-E592 PolarHBondContact NH2-OE2 3.25Å; A588-E592 HydrophobicContact CB-CB 4.11Å; A589-E592 HydrophobicContact CB-CG 4.48Å; A589-E592 PolarHBondContact N-OE2 3.22Å; A589-E592 WeakPolarHBondContact O-CB 3.48Å; A589-E592 PolarHBondContact O-N 3.49Å; Y590-E592 PolarHBondContact O-N 2.84Å; E592-V611 VanDerWaalsContact CA-O 3.24Å; E592-V611 WeakPolarHBondContact CA-O 3.37Å; E592-V611 HydrophobicContact CG-CG2 3.76Å; E592-P613 HydrophobicContact CB-CG 3.93Å; E592-P613 WeakPolarHBondContact OE2-CA 3.21Å; E592-P614 WeakPolarHBondContact OE1-CD 3.48Å
593	K	97.9	Very high	98.2	Very high	4 Å²	4	3.5 Å²	3.5	2%	0.017	2%	0.021	C	C	.	.	S	Bend	trans	-135.6	149.4	-174.6	59.6	-168.1	-177.9	-156.5	0	110.9	D348 A588 A589 A595 Y597 T607 E619 D620	D348-K593 IonicContact OD1-NZ 3.58Å; D348-K593 PolarHBondContact OD1-NZ 3.06Å; A588-K593 HydrophobicContact CB-CB 4.3Å; A588-K593 HydrophobicContact CB-CD 4.09Å; A588-K593 PolarHBondContact O-NZ 2.73Å; A589-K593 WeakPolarHBondContact O-CG 3.24Å; K593-A595 HydrophobicContact CB-CB 4.4Å; K593-A595 HydrophobicContact CD-CB 4.14Å; K593-A595 HydrophobicContact CG-CB 3.77Å; K593-Y597 WeakPolarHBondContact CE-OH 3.47Å; K593-T607 PolarHBondContact O-OG1 3.05Å; K593-E619 HydrophobicContact CB-CG 4.19Å; K593-D620 IonicContact NZ-OD2 3.13Å; K593-D620 PolarHBondContact NZ-OD2 2.88Å
594	A	98.1	Very high	98.2	Very high	24 Å²	24	3.5 Å²	3.5	20%	0.198	2%	0.021	C	C	.	.			trans	-93.1	97	170.6	0	0	0	0	0	107.7	T607 V609 L640	A594-T607 WeakPolarHBondContact CA-O 3.07Å; A594-V609 HydrophobicContact CB-CG2 4.14Å; A594-L640 HydrophobicContact CB-CD2 3.96Å; A594-L640 WeakPolarHBondContact O-CD2 3.23Å
595	A	97.6	Very high	98.2	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.022	C	C	.	.			trans	-139.2	150.1	-163.2	0	0	0	0	0	111.7	D348 K593 Y597 Q606 T607	D348-A595 HydrophobicContact CB-CB 3.55Å; K593-A595 HydrophobicContact CB-CB 4.4Å; K593-A595 HydrophobicContact CD-CB 4.14Å; K593-A595 HydrophobicContact CG-CB 3.77Å; A595-Y597 HydrophobicContact CB-CE2 4.14Å; A595-Q606 CarbonylContact O-C 3.14Å; A595-Q606 VanDerWaalsContact O-CA 3.3Å; A595-Q606 WeakPolarHBondContact O-CA 3.47Å; A595-T607 PolarHBondContact N-OG1 3.4Å; A595-T607 PolarHBondContact O-N 3.31Å; A595-T607 PolarHBondContact O-OG1 2.95Å
596	T	98.7	Very high	98.2	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.8	-174.3	-58.1	0	0	0	0	110.5	A349 E350 Q605 L654 Y657	A349-T596 HydrophobicContact CB-CG2 4.19Å; A349-T596 PolarHBondContact N-O 3.4Å; E350-T596 WeakPolarHBondContact OE1-CB 3.41Å; E350-T596 PolarHBondContact OE1-N 2.83Å; E350-T596 PolarHBondContact OE1-OG1 3.21Å; E350-T596 WeakPolarHBondContact OE2-CB 3.15Å; E350-T596 PolarHBondContact OE2-N 3.18Å; E350-T596 PolarHBondContact OE2-OG1 3.45Å; T596-Q605 WeakPolarHBondContact CA-O 3.48Å; T596-L654 VanDerWaalsContact CG2-O 3.27Å; T596-L654 WeakPolarHBondContact CG2-O 3.49Å; T596-Y657 HydrophobicContact CG2-CE1 4.02Å; T596-Y657 PolarHBondContact OG1-OH 3.15Å
597	Y	98.7	Very high	98.2	Very high	6 Å²	6	6.6 Å²	6.6	2%	0.024	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	155	171.6	-67.9	-92.2	0	0	0	109.6	V254 L346 D348 A521 K593 A595 Q605 T607	V254-Y597 HydrophobicContact CB-CE1 4.29Å; V254-Y597 HydrophobicContact CG1-CD1 3.79Å; V254-Y597 HydrophobicContact CG1-CD2 3.9Å; V254-Y597 HydrophobicContact CG1-CE1 3.62Å; V254-Y597 HydrophobicContact CG1-CE2 3.74Å; V254-Y597 HydrophobicContact CG1-CG 3.92Å; L346-Y597 PolarHBondContact O-OH 3.42Å; L346-Y597 VanDerWaalsContact O-OH 3.11Å; D348-Y597 HydrophobicContact CB-CE1 4.35Å; D348-Y597 HydrophobicContact CB-CE2 4.11Å; A521-Y597 HydrophobicContact CB-CD1 4.35Å; K593-Y597 WeakPolarHBondContact CE-OH 3.47Å; A595-Y597 HydrophobicContact CB-CE2 4.14Å; Y597-Q605 PolarHBondContact N-O 3.02Å; Y597-Q605 PolarHBondContact O-N 3.44Å; Y597-Q605 VanDerWaalsContact O-O 3.08Å; Y597-T607 HydrophobicContact CD2-CG2 3.83Å; Y597-T607 HydrophobicContact CE2-CG2 3.72Å
598	V	98.5	Very high	98.2	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.012	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.5	176.6	-174.1	0	0	0	0	108.3	V524 A525 R603 A604 L654	V524-V598 HydrophobicContact CB-CB 4.23Å; V524-V598 HydrophobicContact CB-CG1 4.11Å; V524-V598 HydrophobicContact CG1-CB 4.13Å; V524-V598 HydrophobicContact CG1-CG1 3.52Å; A525-V598 HydrophobicContact CB-CB 4.18Å; A525-V598 HydrophobicContact CB-CG2 3.91Å; V598-R603 WeakPolarHBondContact CA-O 3.17Å; V598-A604 HydrophobicContact CG2-CB 4.5Å; V598-L654 HydrophobicContact CG2-CD2 3.31Å
599	N	98.3	Very high	98.2	Very high	2 Å²	2	16 Å²	16	1%	0.011	8%	0.079	C	C	.	.			trans	-79.1	176.3	179.6	73.4	1.7	0	0	0	112.2	A257 V258 E601 G602 R603	A257-N599 CarbonylContact O-C 3.51Å; A257-N599 WeakPolarHBondContact O-CA 3.23Å; A257-N599 WeakPolarHBondContact O-CB 2.74Å; V258-N599 VanDerWaalsContact O-CB 3.28Å; V258-N599 WeakPolarHBondContact O-CB 3.49Å; V258-N599 PolarHBondContact O-ND2 3.29Å; N599-E601 WeakPolarHBondContact ND2-CG 3.42Å; N599-E601 PolarHBondContact O-N 2.88Å; N599-E601 WeakPolarHBondContact OD1-CG 3.48Å; N599-E601 PolarHBondContact OD1-N 2.79Å; N599-G602 PolarHBondContact O-N 2.83Å; N599-G602 PolarHBondContact OD1-N 3.1Å; N599-R603 PolarHBondContact N-O 3.04Å; N599-R603 VanDerWaalsContact N-O 3.15Å; N599-R603 VanDerWaalsContact OD1-CB 3.28Å; N599-R603 WeakPolarHBondContact OD1-CB 3.41Å; N599-R603 PolarHBondContact OD1-N 2.96Å; N599-R603 PolarHBondContact OD1-O 3.27Å
600	T	98.3	Very high	98.1	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.8	-176.8	-166.8	0	0	0	0	114.2	A257 L388 I516 L517 H518 G602	A257-T600 PolarHBondContact O-N 2.86Å; L388-T600 HydrophobicContact CB-CG2 4.11Å; L388-T600 WeakPolarHBondContact CB-O 3.42Å; L388-T600 HydrophobicContact CD2-CG2 3.84Å; L388-T600 PolarHBondContact N-O 2.98Å; I516-T600 PolarHBondContact O-OG1 2.63Å; L517-T600 HydrophobicContact CD1-CG2 4.2Å; H518-T600 PolarHBondContact N-OG1 3.09Å; T600-G602 VanDerWaalsContact C-N 3.29Å
601	E	97.8	Very high	98.1	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-1.6	175.5	62.2	173	-153.2	0	0	113.2	L388 K391 I392 N599 R603 V660	L388-E601 HydrophobicContact CB-CB 4.23Å; K391-E601 VanDerWaalsContact CA-OE2 3.28Å; K391-E601 WeakPolarHBondContact CA-OE2 3.38Å; K391-E601 WeakPolarHBondContact CB-OE2 3.39Å; I392-E601 PolarHBondContact N-OE2 2.84Å; N599-E601 WeakPolarHBondContact ND2-CG 3.42Å; N599-E601 PolarHBondContact O-N 2.88Å; N599-E601 WeakPolarHBondContact OD1-CG 3.48Å; N599-E601 PolarHBondContact OD1-N 2.79Å; E601-R603 HydrophobicContact CG-CB 4.21Å; E601-R603 IonicContact OE1-CZ 3.17Å; E601-R603 IonicContact OE1-NE 2.66Å; E601-R603 PolarHBondContact OE1-NE 3.23Å; E601-R603 IonicContact OE1-NH2 3.62Å; E601-R603 PolarHBondContact OE1-NH2 3Å; E601-V660 HydrophobicContact CG-CG2 4.28Å; E601-V660 WeakPolarHBondContact O-CG1 3.22Å; E601-V660 WeakPolarHBondContact OE1-CG2 3.36Å
602	G	97.7	Very high	98	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.031	12%	0.119	C	C	.	.			trans	86.7	13.3	177	0	0	0	0	0	114.1	R383 N599 T600	R383-G602 PolarHBondContact NH2-O 3.48Å; N599-G602 PolarHBondContact O-N 2.83Å; N599-G602 PolarHBondContact OD1-N 3.1Å; T600-G602 VanDerWaalsContact C-N 3.29Å
603	R	98.4	Very high	97.9	Very high	8 Å²	8	23.1 Å²	23.1	3%	0.03	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-76.6	124	174.5	-168.2	-179.4	-68.9	-103.1	-5.5	109.8	D281 V598 N599 E601 Q605 D658 V660	D281-R603 IonicContact OD2-CZ 2.86Å; D281-R603 IonicContact OD2-NH1 3.37Å; D281-R603 IonicContact OD2-NH2 3.65Å; D281-R603 PolarHBondContact OD2-NH2 3.24Å; V598-R603 WeakPolarHBondContact CA-O 3.17Å; N599-R603 PolarHBondContact N-O 3.04Å; N599-R603 VanDerWaalsContact N-O 3.15Å; N599-R603 VanDerWaalsContact OD1-CB 3.28Å; N599-R603 WeakPolarHBondContact OD1-CB 3.41Å; N599-R603 PolarHBondContact OD1-N 2.96Å; N599-R603 PolarHBondContact OD1-O 3.27Å; E601-R603 HydrophobicContact CG-CB 4.21Å; E601-R603 IonicContact OE1-CZ 3.17Å; E601-R603 IonicContact OE1-NE 2.66Å; E601-R603 PolarHBondContact OE1-NE 3.23Å; E601-R603 IonicContact OE1-NH2 3.62Å; E601-R603 PolarHBondContact OE1-NH2 3Å; R603-Q605 HydrophobicContact CG-CG 4.24Å; R603-D658 IonicContact CZ-OD1 2.76Å; R603-D658 PolarHBondContact NH1-O 2.83Å; R603-D658 IonicContact NH1-OD1 3.36Å; R603-D658 PolarHBondContact NH1-OD1 3.22Å; R603-V660 HydrophobicContact CB-CG2 3.83Å; R603-V660 HydrophobicContact CG-CG2 4.18Å
604	A	98.1	Very high	97.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.4	170.5	0	0	0	0	0	110.1	V598 N653 Y657 D658	V598-A604 HydrophobicContact CG2-CB 4.5Å; A604-N653 WeakPolarHBondContact CB-O 3.45Å; A604-Y657 HydrophobicContact CB-CD1 4.39Å; A604-Y657 VanDerWaalsContact O-CA 3.32Å; A604-Y657 WeakPolarHBondContact O-CA 3.47Å; A604-D658 PolarHBondContact O-N 3.39Å
605	Q	98.1	Very high	97.8	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.037	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	156.5	177.1	-61.1	168	-75.5	0	0	109.3	I252 G259 N261 T596 Y597 R603	I252-Q605 HydrophobicContact CD1-CB 3.83Å; I252-Q605 HydrophobicContact CD1-CG 4.35Å; I252-Q605 HydrophobicContact CG1-CB 3.81Å; I252-Q605 HydrophobicContact CG2-CB 4.19Å; G259-Q605 PolarHBondContact O-NE2 2.99Å; G259-Q605 PolarHBondContact O-OE1 3.22Å; G259-Q605 VanDerWaalsContact O-OE1 3.12Å; N261-Q605 PolarHBondContact OD1-NE2 2.92Å; T596-Q605 WeakPolarHBondContact CA-O 3.48Å; Y597-Q605 PolarHBondContact N-O 3.02Å; Y597-Q605 PolarHBondContact O-N 3.44Å; Y597-Q605 VanDerWaalsContact O-O 3.08Å; R603-Q605 HydrophobicContact CG-CG 4.24Å
606	Q	97.2	Very high	97.8	Very high	60 Å²	60	29.5 Å²	29.5	28%	0.28	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	131.6	179.8	56.6	176.4	-13.8	0	0	112	I252 A595 Y657	I252-Q606 WeakPolarHBondContact CG1-O 3.41Å; A595-Q606 CarbonylContact O-C 3.14Å; A595-Q606 VanDerWaalsContact O-CA 3.3Å; A595-Q606 WeakPolarHBondContact O-CA 3.47Å; Q606-Y657 HydrophobicContact CB-CD1 4.03Å; Q606-Y657 HydrophobicContact CB-CE1 3.76Å; Q606-Y657 HydrophobicContact CG-CD1 4.07Å; Q606-Y657 HydrophobicContact CG-CE1 4.15Å; Q606-Y657 HydrophobicContact CG-CG 4.37Å
607	T	98.4	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.174	C	C	.	.			trans	-70.9	160.5	166.1	63.7	0	0	0	0	110.2	S251 I252 K593 A594 A595 Y597	S251-T607 WeakPolarHBondContact OG-CA 3.48Å; S251-T607 WeakPolarHBondContact OG-CB 3.17Å; I252-T607 HydrophobicContact CB-CG2 4.28Å; K593-T607 PolarHBondContact O-OG1 3.05Å; A594-T607 WeakPolarHBondContact CA-O 3.07Å; A595-T607 PolarHBondContact N-OG1 3.4Å; A595-T607 PolarHBondContact O-N 3.31Å; A595-T607 PolarHBondContact O-OG1 2.95Å; Y597-T607 HydrophobicContact CD2-CG2 3.83Å; Y597-T607 HydrophobicContact CE2-CG2 3.72Å
608	R	97.6	Very high	97.7	Very high	123 Å²	123	34.9 Å²	34.9	46%	0.464	19%	0.194	S	C	.	.			trans	-123.6	151.2	170.8	-64.4	-173.4	175.1	157.7	-0.1	110	V249 E250 S251 A610	V249-R608 HydrophobicContact CG1-CB 3.77Å; E250-R608 WeakPolarHBondContact O-CB 3.39Å; E250-R608 WeakPolarHBondContact O-CD 3.35Å; E250-R608 WeakPolarHBondContact O-CG 3.39Å; E250-R608 IonicContact OE2-NH1 3.46Å; S251-R608 PolarHBondContact OG-N 3.12Å; R608-A610 PolarHBondContact O-N 2.94Å; R608-A610 VanDerWaalsContact O-N 3.12Å
609	V	98.3	Very high	97.6	Very high	76 Å²	76	35.9 Å²	35.9	46%	0.461	20%	0.198	S	C	.	.			trans	-67.2	110.1	177.9	-176.6	0	0	0	0	109.4	A594 V611	A594-V609 HydrophobicContact CB-CG2 4.14Å; V609-V611 WeakPolarHBondContact CG1-O 2.99Å
610	A	97.6	Very high	97.6	Very high	15 Å²	15	36.1 Å²	36.1	12%	0.124	20%	0.2	C	C	.	.	S	Bend	trans	-96.6	-39.9	177.4	0	0	0	0	0	112.2	V249 V264 T266 T591 R608	V249-A610 HydrophobicContact CB-CB 3.96Å; V249-A610 HydrophobicContact CG1-CB 4.07Å; V249-A610 HydrophobicContact CG2-CB 4.27Å; V264-A610 HydrophobicContact CB-CB 3.94Å; V264-A610 HydrophobicContact CG1-CB 3.75Å; T266-A610 HydrophobicContact CG2-CB 3.93Å; T591-A610 WeakPolarHBondContact O-CB 3.06Å; T591-A610 PolarHBondContact O-N 2.88Å; R608-A610 PolarHBondContact O-N 2.94Å; R608-A610 VanDerWaalsContact O-N 3.12Å
611	V	97.4	Very high	97.6	Very high	14 Å²	14	36.3 Å²	36.3	9%	0.085	20%	0.201	C	C	.	.	S	Bend	trans	-136	163.7	173.5	-62.5	0	0	0	0	109	T266 G269 V271 T591 E592 V609	T266-V611 HydrophobicContact CG2-CG1 3.72Å; G269-V611 VanDerWaalsContact O-CG1 3.3Å; G269-V611 WeakPolarHBondContact O-CG1 3.4Å; V271-V611 HydrophobicContact CG2-CG1 3.93Å; V271-V611 HydrophobicContact CG2-CG2 3.99Å; T591-V611 PolarHBondContact O-N 3.46Å; E592-V611 VanDerWaalsContact CA-O 3.24Å; E592-V611 WeakPolarHBondContact CA-O 3.37Å; E592-V611 HydrophobicContact CG-CG2 3.76Å; V609-V611 WeakPolarHBondContact CG1-O 2.99Å
612	T	96.1	Very high	97.6	Very high	106 Å²	106	43.1 Å²	43.1	65%	0.65	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-88.2	151	175.9	51.8	0	0	0	0	111
613	P	97.4	Very high	97.7	Very high	32 Å²	32	43.2 Å²	43.2	21%	0.208	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-54.6	142.6	174.6	-21.7	29.8	0	0	0	112.8	A588 E592 A617	A588-P613 HydrophobicContact CB-CB 4.39Å; A588-P613 HydrophobicContact CB-CG 3.79Å; E592-P613 HydrophobicContact CB-CG 3.93Å; E592-P613 WeakPolarHBondContact OE2-CA 3.21Å; P613-A617 HydrophobicContact CB-CB 3.63Å
614	P	96.7	Very high	97.7	Very high	38 Å²	38	42.9 Å²	42.9	25%	0.247	23%	0.225	C	C	.	.	S	Bend	trans	-75.6	142.3	-177.8	30.9	-35.6	0	0	0	112.3	R302 T304 E592 M616 A617	R302-P614 HydrophobicContact CB-CG 4.27Å; T304-P614 HydrophobicContact CG2-CB 4.11Å; T304-P614 HydrophobicContact CG2-CG 4.2Å; E592-P614 WeakPolarHBondContact OE1-CD 3.48Å; P614-M616 PolarHBondContact O-N 3.24Å; P614-A617 VanDerWaalsContact O-CB 3.29Å; P614-A617 WeakPolarHBondContact O-CB 3.47Å; P614-A617 PolarHBondContact O-N 2.99Å
615	G	96.1	Very high	97.7	Very high	65 Å²	65	43.9 Å²	43.9	67%	0.67	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	-124.2	176	0	0	0	0	0	113
616	M	97.6	Very high	97.7	Very high	58 Å²	58	45 Å²	45	29%	0.286	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	6.2	179.4	-58.9	-162.8	-74.6	0	0	113.5	T304 Q305 P306 W320 P614 R618	T304-M616 WeakPolarHBondContact O-CA 3.34Å; T304-M616 WeakPolarHBondContact O-CB 3.49Å; T304-M616 PolarHBondContact O-N 3.45Å; Q305-M616 HydrophobicContact CB-CE 3.52Å; Q305-M616 HydrophobicContact CG-CE 3.47Å; Q305-M616 VanDerWaalsContact CG-CE 3.47Å; P306-M616 VanDerWaalsContact CD-CE 3.45Å; W320-M616 WeakPolarHBondContact CZ2-O 3.22Å; W320-M616 PolarHBondContact NE1-O 3.44Å; P614-M616 PolarHBondContact O-N 3.24Å; M616-R618 PolarHBondContact O-NH1 3.42Å
617	A	97.9	Very high	97.7	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.017	23%	0.226	C	C	.	.			trans	-58.6	148.9	176.6	0	0	0	0	0	111.9	P586 P613 P614	P586-A617 HydrophobicContact CB-CB 4.07Å; P586-A617 VanDerWaalsContact O-CA 3.31Å; P586-A617 WeakPolarHBondContact O-CA 3.49Å; P613-A617 HydrophobicContact CB-CB 3.63Å; P614-A617 VanDerWaalsContact O-CB 3.29Å; P614-A617 WeakPolarHBondContact O-CB 3.47Å; P614-A617 PolarHBondContact O-N 2.99Å
618	R	98.2	Very high	97.6	Very high	118 Å²	118	42.2 Å²	42.2	45%	0.445	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-134.2	161.6	-177.5	-64.5	-64.7	178.6	-96.3	1.1	111.2	W320 P586 G587 A588 M616 I623	W320-R618 HydrophobicContact CZ2-CB 4.19Å; W320-R618 HydrophobicContact CZ2-CG 3.78Å; P586-R618 PolarHBondContact O-N 2.83Å; P586-R618 VanDerWaalsContact O-N 3.11Å; G587-R618 CarbonylContact C-O 3.15Å; G587-R618 WeakPolarHBondContact CA-O 3.22Å; A588-R618 PolarHBondContact N-O 2.72Å; M616-R618 PolarHBondContact O-NH1 3.42Å; R618-I623 HydrophobicContact CB-CD1 4.06Å; R618-I623 HydrophobicContact CB-CG1 3.8Å
619	E	97.4	Very high	97.6	Very high	22 Å²	22	41.5 Å²	41.5	10%	0.103	23%	0.228	C	C	.	.			trans	-60.5	138.6	173	-171.5	177.6	-170	0	0	110.6	K593 W621 R622 I623	K593-E619 HydrophobicContact CB-CG 4.19Å; E619-W621 PolarHBondContact O-N 2.85Å; E619-W621 PolarHBondContact OE1-NE1 3.08Å; E619-W621 PolarHBondContact OE2-NE1 2.81Å; E619-R622 HydrophobicContact CB-CB 4.5Å; E619-R622 HydrophobicContact CB-CG 4.07Å; E619-R622 WeakPolarHBondContact O-CB 3.24Å; E619-R622 PolarHBondContact O-N 2.96Å; E619-R622 VanDerWaalsContact O-N 3.13Å; E619-R622 IonicContact OE2-CZ 3.25Å; E619-R622 VanDerWaalsContact OE2-CZ 3.25Å; E619-R622 IonicContact OE2-NE 2.71Å; E619-R622 PolarHBondContact OE2-NE 3.36Å; E619-R622 IonicContact OE2-NH2 2.98Å; E619-R622 PolarHBondContact OE2-NH2 3.45Å; E619-I623 PolarHBondContact O-N 2.96Å
620	D	98.1	Very high	97.5	Very high	8 Å²	8	42 Å²	42	4%	0.043	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-47	-162.2	-69.6	-49.5	0	0	0	113.9	A351 Q570 G587 A588 K593 R622 I623 I624	A351-D620 HydrophobicContact CB-CB 3.65Å; Q570-D620 PolarHBondContact NE2-O 2.91Å; Q570-D620 PolarHBondContact NE2-OD1 2.95Å; G587-D620 VanDerWaalsContact CA-OD1 3.22Å; G587-D620 WeakPolarHBondContact CA-OD1 3.49Å; A588-D620 PolarHBondContact N-OD1 2.88Å; K593-D620 IonicContact NZ-OD2 3.13Å; K593-D620 PolarHBondContact NZ-OD2 2.88Å; D620-R622 PolarHBondContact O-N 2.77Å; D620-I623 PolarHBondContact O-N 2.74Å; D620-I624 PolarHBondContact O-N 2.69Å
621	W	98.2	Very high	97.4	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.019	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-27.2	178.3	71.8	-95.4	0	0	0	112.5	E350 A354 E619 I624 R625 Y637 L640 I643	E350-W621 HydrophobicContact CB-CB 4.3Å; E350-W621 HydrophobicContact CB-CG 4.31Å; A354-W621 HydrophobicContact CB-CB 4.05Å; E619-W621 PolarHBondContact O-N 2.85Å; E619-W621 PolarHBondContact OE1-NE1 3.08Å; E619-W621 PolarHBondContact OE2-NE1 2.81Å; W621-I624 PolarHBondContact O-N 3.43Å; W621-R625 HydrophobicContact CE3-CB 4.25Å; W621-R625 HydrophobicContact CZ3-CB 4.42Å; W621-R625 HydrophobicContact CZ3-CG 4.47Å; W621-R625 VanDerWaalsContact O-CB 3.24Å; W621-R625 WeakPolarHBondContact O-CB 3.4Å; W621-R625 PolarHBondContact O-N 3.44Å; W621-Y637 HydrophobicContact CE3-CD2 4.43Å; W621-Y637 HydrophobicContact CE3-CE2 4.44Å; W621-Y637 HydrophobicContact CZ3-CD2 4.41Å; W621-L640 HydrophobicContact CZ2-CB 4.37Å; W621-I643 HydrophobicContact CB-CD1 3.77Å; W621-I643 HydrophobicContact CD2-CD1 4.14Å; W621-I643 HydrophobicContact CD2-CG2 4.47Å; W621-I643 HydrophobicContact CE3-CD1 4.15Å; W621-I643 HydrophobicContact CG-CD1 4Å
622	R	98.1	Very high	97.3	Very high	144 Å²	144	44 Å²	44	54%	0.543	25%	0.252	S	S	.	.	H	α-helix	trans	-69	-37.4	177.6	-64	-168.9	-164.4	-160.9	4.1	111.9	E619 D620 R625 A626	E619-R622 HydrophobicContact CB-CB 4.5Å; E619-R622 HydrophobicContact CB-CG 4.07Å; E619-R622 WeakPolarHBondContact O-CB 3.24Å; E619-R622 PolarHBondContact O-N 2.96Å; E619-R622 VanDerWaalsContact O-N 3.13Å; E619-R622 IonicContact OE2-CZ 3.25Å; E619-R622 VanDerWaalsContact OE2-CZ 3.25Å; E619-R622 IonicContact OE2-NE 2.71Å; E619-R622 PolarHBondContact OE2-NE 3.36Å; E619-R622 IonicContact OE2-NH2 2.98Å; E619-R622 PolarHBondContact OE2-NH2 3.45Å; D620-R622 PolarHBondContact O-N 2.77Å; R622-R625 PolarHBondContact O-N 3.31Å; R622-A626 WeakPolarHBondContact O-CB 3.41Å; R622-A626 PolarHBondContact O-N 3.25Å
623	I	98.4	Very high	97.3	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-50.1	175.4	-62.1	165.8	0	0	0	108.9	W320 L324 Q570 L585 P586 R618 E619 D620 R625 A626 I627	W320-I623 HydrophobicContact CH2-CD1 3.67Å; W320-I623 HydrophobicContact CH2-CG1 3.69Å; W320-I623 HydrophobicContact CH2-CG2 4.19Å; W320-I623 HydrophobicContact CZ2-CD1 4.45Å; W320-I623 HydrophobicContact CZ2-CG1 4.5Å; W320-I623 HydrophobicContact CZ3-CD1 4.43Å; W320-I623 HydrophobicContact CZ3-CG1 4.11Å; W320-I623 HydrophobicContact CZ3-CG2 3.88Å; L324-I623 HydrophobicContact CD2-CG2 4.46Å; Q570-I623 HydrophobicContact CG-CD1 4.23Å; L585-I623 HydrophobicContact CB-CG2 4.21Å; L585-I623 HydrophobicContact CD1-CG2 3.83Å; P586-I623 WeakPolarHBondContact O-CD1 3.49Å; R618-I623 HydrophobicContact CB-CD1 4.06Å; R618-I623 HydrophobicContact CB-CG1 3.8Å; E619-I623 PolarHBondContact O-N 2.96Å; D620-I623 PolarHBondContact O-N 2.74Å; I623-R625 PolarHBondContact O-N 3.33Å; I623-A626 PolarHBondContact O-N 3.2Å; I623-I627 HydrophobicContact CG2-CD1 4.15Å; I623-I627 WeakPolarHBondContact O-CG1 3.37Å; I623-I627 PolarHBondContact O-N 2.61Å
624	I	98.4	Very high	97.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-43	179.7	-58.6	164	0	0	0	111	A351 A354 L355 L358 L549 D620 W621 A626 I627 S628	A351-I624 HydrophobicContact CB-CD1 4.26Å; A351-I624 WeakPolarHBondContact O-CD1 3.28Å; A354-I624 HydrophobicContact CB-CB 4.06Å; A354-I624 HydrophobicContact CB-CD1 4.1Å; A354-I624 HydrophobicContact CB-CG2 3.87Å; L355-I624 HydrophobicContact CB-CD1 4.07Å; L358-I624 HydrophobicContact CB-CG2 4.12Å; L358-I624 HydrophobicContact CD2-CG2 3.78Å; L549-I624 HydrophobicContact CD1-CD1 4.49Å; L549-I624 HydrophobicContact CD2-CD1 4.29Å; D620-I624 PolarHBondContact O-N 2.69Å; W621-I624 PolarHBondContact O-N 3.43Å; I624-A626 VanDerWaalsContact C-N 3.34Å; I624-A626 PolarHBondContact O-N 2.81Å; I624-I627 WeakPolarHBondContact O-CB 3.35Å; I624-I627 PolarHBondContact O-N 3.33Å; I624-S628 PolarHBondContact O-N 2.88Å
625	R	98.2	Very high	97.3	Very high	23 Å²	23	40.2 Å²	40.2	9%	0.087	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-37.6	176.3	175.1	56.9	-173.9	63.9	8	112.3	W621 R622 I623 S628 E629 L635 Y637	W621-R625 HydrophobicContact CE3-CB 4.25Å; W621-R625 HydrophobicContact CZ3-CB 4.42Å; W621-R625 HydrophobicContact CZ3-CG 4.47Å; W621-R625 VanDerWaalsContact O-CB 3.24Å; W621-R625 WeakPolarHBondContact O-CB 3.4Å; W621-R625 PolarHBondContact O-N 3.44Å; R622-R625 PolarHBondContact O-N 3.31Å; I623-R625 PolarHBondContact O-N 3.33Å; R625-S628 PolarHBondContact O-N 3.49Å; R625-S628 PolarHBondContact O-OG 3.48Å; R625-E629 IonicContact CZ-OE2 3.66Å; R625-E629 IonicContact NH1-OE2 2.73Å; R625-E629 PolarHBondContact NH1-OE2 3.17Å; R625-E629 IonicContact NH2-OE2 3.68Å; R625-E629 PolarHBondContact O-N 2.93Å; R625-L635 PolarHBondContact NE-O 3.26Å; R625-Y637 HydrophobicContact CB-CE2 4.48Å; R625-Y637 VanDerWaalsContact CD-O 3.27Å; R625-Y637 WeakPolarHBondContact CD-O 3.44Å; R625-Y637 PolarHBondContact NE-O 2.78Å
626	A	97.9	Very high	97.3	Very high	32 Å²	32	41.7 Å²	41.7	26%	0.264	22%	0.223	S	C	.	.	H	α-helix	trans	-68.8	-40.9	175.1	0	0	0	0	0	112	L324 R622 I623 I624 S628 E629 L630	L324-A626 HydrophobicContact CD1-CB 4.18Å; R622-A626 WeakPolarHBondContact O-CB 3.41Å; R622-A626 PolarHBondContact O-N 3.25Å; I623-A626 PolarHBondContact O-N 3.2Å; I624-A626 VanDerWaalsContact C-N 3.34Å; I624-A626 PolarHBondContact O-N 2.81Å; A626-S628 VanDerWaalsContact C-N 3.29Å; A626-S628 PolarHBondContact O-N 2.9Å; A626-E629 PolarHBondContact O-N 3.49Å; A626-L630 PolarHBondContact O-N 2.86Å
627	I	97.4	Very high	97.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.9	-46	172.2	-66.9	167.5	0	0	0	110.2	L324 V327 L331 L358 F547 L585 I623 I624 E629 L630 A631	L324-I627 HydrophobicContact CD2-CD1 4.23Å; L324-I627 HydrophobicContact CD2-CG1 3.45Å; L324-I627 VanDerWaalsContact CD2-CG1 3.45Å; V327-I627 HydrophobicContact CG1-CD1 3.94Å; V327-I627 HydrophobicContact CG1-CG1 4.22Å; V327-I627 HydrophobicContact CG1-CG2 3.9Å; L331-I627 HydrophobicContact CD1-CG2 3.46Å; L331-I627 VanDerWaalsContact CD1-CG2 3.46Å; L358-I627 HydrophobicContact CD2-CG2 4.13Å; F547-I627 HydrophobicContact CE2-CD1 4.05Å; F547-I627 HydrophobicContact CZ-CD1 4.33Å; L585-I627 HydrophobicContact CD1-CD1 3.76Å; I623-I627 HydrophobicContact CG2-CD1 4.15Å; I623-I627 WeakPolarHBondContact O-CG1 3.37Å; I623-I627 PolarHBondContact O-N 2.61Å; I624-I627 WeakPolarHBondContact O-CB 3.35Å; I624-I627 PolarHBondContact O-N 3.33Å; I627-E629 PolarHBondContact O-N 3.22Å; I627-L630 PolarHBondContact O-N 3.42Å; I627-A631 VanDerWaalsContact O-CB 3.23Å; I627-A631 WeakPolarHBondContact O-CB 3.46Å; I627-A631 PolarHBondContact O-N 2.85Å
628	S	97.4	Very high	97.2	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-35.9	-179.1	80.6	0	0	0	0	113.2	I624 R625 A626 G632 M633 T634 L635	I624-S628 PolarHBondContact O-N 2.88Å; R625-S628 PolarHBondContact O-N 3.49Å; R625-S628 PolarHBondContact O-OG 3.48Å; A626-S628 VanDerWaalsContact C-N 3.29Å; A626-S628 PolarHBondContact O-N 2.9Å; S628-G632 PolarHBondContact O-N 2.81Å; S628-M633 CarbonylContact O-C 3.6Å; S628-M633 WeakPolarHBondContact O-CA 3.41Å; S628-M633 PolarHBondContact O-N 3.41Å; S628-T634 PolarHBondContact O-N 3.17Å; S628-L635 WeakPolarHBondContact OG-CG 3.36Å; S628-L635 PolarHBondContact OG-N 3.05Å
629	E	97.3	Very high	97.2	Very high	109 Å²	109	43.5 Å²	43.5	51%	0.509	24%	0.238	S	C	.	.	H	α-helix	trans	-71.3	-47.2	-179.2	-169.5	169.8	161.5	0	0	111.5	R625 A626 I627 A631 G632 T634	R625-E629 IonicContact CZ-OE2 3.66Å; R625-E629 IonicContact NH1-OE2 2.73Å; R625-E629 PolarHBondContact NH1-OE2 3.17Å; R625-E629 IonicContact NH2-OE2 3.68Å; R625-E629 PolarHBondContact O-N 2.93Å; A626-E629 PolarHBondContact O-N 3.49Å; I627-E629 PolarHBondContact O-N 3.22Å; E629-A631 VanDerWaalsContact C-N 3.28Å; E629-A631 PolarHBondContact O-N 2.86Å; E629-G632 PolarHBondContact O-N 3.35Å; E629-G632 VanDerWaalsContact O-N 3.08Å; E629-T634 HydrophobicContact CB-CG2 4.35Å; E629-T634 HydrophobicContact CG-CG2 4.3Å
630	L	96.5	Very high	97.1	Very high	85 Å²	85	44.1 Å²	44.1	45%	0.445	24%	0.241	S	C	.	.	H	α-helix	trans	-68.5	-29.8	177.3	-69	171.4	0	0	0	112.4	L324 A328 A626 I627 G632	L324-L630 HydrophobicContact CB-CD1 3.46Å; L324-L630 VanDerWaalsContact CB-CD1 3.46Å; L324-L630 HydrophobicContact CD1-CD1 4.23Å; L324-L630 HydrophobicContact CG-CD1 4.46Å; A328-L630 HydrophobicContact CB-CB 3.84Å; A626-L630 PolarHBondContact O-N 2.86Å; I627-L630 PolarHBondContact O-N 3.42Å; L630-G632 PolarHBondContact O-N 3.36Å
631	A	95	Very high	97.1	Very high	5 Å²	5	49 Å²	49	4%	0.041	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-3.7	173.6	0	0	0	0	0	113.1	A328 Q332 I627 E629 M633	A328-A631 HydrophobicContact CB-CB 4.03Å; Q332-A631 HydrophobicContact CG-CB 4.39Å; Q332-A631 WeakPolarHBondContact CG-O 3.41Å; Q332-A631 PolarHBondContact NE2-O 2.94Å; I627-A631 VanDerWaalsContact O-CB 3.23Å; I627-A631 WeakPolarHBondContact O-CB 3.46Å; I627-A631 PolarHBondContact O-N 2.85Å; E629-A631 VanDerWaalsContact C-N 3.28Å; E629-A631 PolarHBondContact O-N 2.86Å; A631-M633 VanDerWaalsContact C-N 3.28Å; A631-M633 HydrophobicContact CB-CE 4.07Å; A631-M633 HydrophobicContact CB-CG 3.83Å; A631-M633 HydrophobicContact CB-SD 4.16Å; A631-M633 PolarHBondContact O-N 2.81Å
632	G	94.8	Very high	97.1	Very high	66 Å²	66	52 Å²	52	68%	0.68	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	16.7	-179.5	0	0	0	0	0	113.9	S628 E629 L630	S628-G632 PolarHBondContact O-N 2.81Å; E629-G632 PolarHBondContact O-N 3.35Å; E629-G632 VanDerWaalsContact O-N 3.08Å; L630-G632 PolarHBondContact O-N 3.36Å
633	M	95.7	Very high	97.1	Very high	32 Å²	32	45.1 Å²	45.1	16%	0.158	26%	0.256	C	S	.	.			trans	-126.4	45.8	-177.9	59.6	-175.6	67.9	0	0	111.3	L358 R361 V362 S628 A631 L635	L358-M633 HydrophobicContact CD1-CG 3.96Å; L358-M633 HydrophobicContact CD1-SD 3.58Å; L358-M633 VanDerWaalsContact CD1-SD 3.58Å; R361-M633 HydrophobicContact CB-CB 4.03Å; R361-M633 HydrophobicContact CB-CG 4.4Å; R361-M633 HydrophobicContact CB-SD 3.97Å; R361-M633 HydrophobicContact CG-CB 4.29Å; V362-M633 HydrophobicContact CG2-CE 3.64Å; V362-M633 HydrophobicContact CG2-SD 3.57Å; V362-M633 VanDerWaalsContact CG2-SD 3.57Å; S628-M633 CarbonylContact O-C 3.6Å; S628-M633 WeakPolarHBondContact O-CA 3.41Å; S628-M633 PolarHBondContact O-N 3.41Å; A631-M633 VanDerWaalsContact C-N 3.28Å; A631-M633 HydrophobicContact CB-CE 4.07Å; A631-M633 HydrophobicContact CB-CG 3.83Å; A631-M633 HydrophobicContact CB-SD 4.16Å; A631-M633 PolarHBondContact O-N 2.81Å; M633-L635 PolarHBondContact O-N 2.87Å
634	T	97.1	Very high	97.1	Very high	63 Å²	63	46.5 Å²	46.5	39%	0.387	26%	0.261	S	S	.	.			trans	-50.3	125.4	-173.2	-48.4	0	0	0	0	112.8	S628 E629	S628-T634 PolarHBondContact O-N 3.17Å; E629-T634 HydrophobicContact CB-CG2 4.35Å; E629-T634 HydrophobicContact CG-CG2 4.3Å
635	L	97.8	Very high	97.1	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	29%	0.287	C	S	.	.			trans	-74.6	146.9	177	-59.9	170.8	0	0	0	111.2	D357 L358 R361 R625 S628 M633 Y637	D357-L635 HydrophobicContact CB-CD2 3.77Å; L358-L635 HydrophobicContact CB-CD1 4.29Å; R361-L635 HydrophobicContact CG-CD2 4.3Å; R625-L635 PolarHBondContact NE-O 3.26Å; S628-L635 WeakPolarHBondContact OG-CG 3.36Å; S628-L635 PolarHBondContact OG-N 3.05Å; M633-L635 PolarHBondContact O-N 2.87Å; L635-Y637 HydrophobicContact CB-CE1 3.96Å; L635-Y637 HydrophobicContact CB-CE2 4.02Å; L635-Y637 HydrophobicContact CD1-CE2 4.33Å; L635-Y637 WeakPolarHBondContact CD1-OH 3.39Å; L635-Y637 PolarHBondContact O-N 3.02Å
636	P	96.9	Very high	97.1	Very high	96 Å²	96	54.6 Å²	54.6	62%	0.623	30%	0.295	S	S	*	.	S	Bend	trans	-80.6	24.2	-165.4	35	-38	0	0	0	114.6
637	Y	97.3	Very high	97.1	Very high	2 Å²	2	53 Å²	53	1%	0.008	28%	0.282	C	S	.	.			trans	-138.3	146.5	179.4	45.4	-101	0	0	0	111.1	A354 W621 R625 L635 I643 R646	A354-Y637 WeakPolarHBondContact CA-OH 3.48Å; A354-Y637 WeakPolarHBondContact CB-OH 3.16Å; W621-Y637 HydrophobicContact CE3-CD2 4.43Å; W621-Y637 HydrophobicContact CE3-CE2 4.44Å; W621-Y637 HydrophobicContact CZ3-CD2 4.41Å; R625-Y637 HydrophobicContact CB-CE2 4.48Å; R625-Y637 VanDerWaalsContact CD-O 3.27Å; R625-Y637 WeakPolarHBondContact CD-O 3.44Å; R625-Y637 PolarHBondContact NE-O 2.78Å; L635-Y637 HydrophobicContact CB-CE1 3.96Å; L635-Y637 HydrophobicContact CB-CE2 4.02Å; L635-Y637 HydrophobicContact CD1-CE2 4.33Å; L635-Y637 WeakPolarHBondContact CD1-OH 3.39Å; L635-Y637 PolarHBondContact O-N 3.02Å; Y637-I643 HydrophobicContact CD2-CB 3.95Å; Y637-I643 HydrophobicContact CD2-CD1 4.15Å; Y637-I643 HydrophobicContact CD2-CG1 4.2Å; Y637-I643 HydrophobicContact CE1-CG1 4.42Å; Y637-I643 HydrophobicContact CE2-CB 4.34Å; Y637-I643 HydrophobicContact CE2-CD1 3.7Å; Y637-I643 HydrophobicContact CE2-CG1 4.09Å; Y637-I643 HydrophobicContact CG-CB 4.07Å; Y637-I643 HydrophobicContact CG-CG1 4.43Å; Y637-R646 HydrophobicContact CD1-CB 4.25Å; Y637-R646 HydrophobicContact CD1-CG 4.37Å; Y637-R646 HydrophobicContact CE1-CB 4.48Å; Y637-R646 HydrophobicContact CE1-CG 4.17Å
638	E	95.5	Very high	97.1	Very high	150 Å²	150	57.8 Å²	57.8	70%	0.701	30%	0.304	S	S	*	.			trans	-123.7	-18.5	-175.8	-62.2	-176.7	166.3	0	0	112.7
639	N	97.3	Very high	97.1	Very high	65 Å²	65	64.4 Å²	64.4	35%	0.348	34%	0.335	S	S	.	.	S	Bend	trans	-135.5	167.5	-178.1	62	56.5	0	0	0	112.1	D641 Q642 I643	N639-D641 VanDerWaalsContact C-N 3.29Å; N639-D641 PolarHBondContact O-N 3.4Å; N639-D641 PolarHBondContact OD1-N 3.34Å; N639-Q642 PolarHBondContact ND2-NE2 3.12Å; N639-Q642 PolarHBondContact O-N 3.42Å; N639-Q642 VanDerWaalsContact OD1-CG 3.3Å; N639-Q642 WeakPolarHBondContact OD1-CG 3.24Å; N639-Q642 PolarHBondContact OD1-N 3.49Å; N639-I643 PolarHBondContact O-N 3.37Å; N639-I643 VanDerWaalsContact O-N 3.14Å
640	L	96.6	Very high	97.1	Very high	34 Å²	34	61.5 Å²	61.5	18%	0.178	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-36.2	-175.5	-174.3	61.7	0	0	0	112.7	E350 A594 W621 I643 R644	E350-L640 HydrophobicContact CG-CD1 3.89Å; A594-L640 HydrophobicContact CB-CD2 3.96Å; A594-L640 WeakPolarHBondContact O-CD2 3.23Å; W621-L640 HydrophobicContact CZ2-CB 4.37Å; L640-I643 HydrophobicContact CD1-CG2 4.05Å; L640-I643 WeakPolarHBondContact O-CG2 3.18Å; L640-R644 WeakPolarHBondContact O-CB 3.4Å; L640-R644 WeakPolarHBondContact O-CD 3.49Å; L640-R644 VanDerWaalsContact O-CG 3.27Å; L640-R644 WeakPolarHBondContact O-CG 3.12Å; L640-R644 PolarHBondContact O-N 2.94Å
641	D	97.4	Very high	97.1	Very high	110 Å²	110	58 Å²	58	59%	0.588	31%	0.307	S	S	*	.	H	α-helix	trans	-70.7	-35.9	179.7	-63.1	-33.6	0	0	0	111.8	N639 R644 K645	N639-D641 VanDerWaalsContact C-N 3.29Å; N639-D641 PolarHBondContact O-N 3.4Å; N639-D641 PolarHBondContact OD1-N 3.34Å; D641-R644 PolarHBondContact O-N 2.96Å; D641-K645 WeakPolarHBondContact O-CG 3.41Å; D641-K645 PolarHBondContact O-N 3.36Å
642	Q	98.1	Very high	97.2	Very high	69 Å²	69	60.7 Å²	60.7	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-69.7	-40.2	176.8	-73	171.1	-4.4	0	0	112.2	N639 R644 K645 R646	N639-Q642 PolarHBondContact ND2-NE2 3.12Å; N639-Q642 PolarHBondContact O-N 3.42Å; N639-Q642 VanDerWaalsContact OD1-CG 3.3Å; N639-Q642 WeakPolarHBondContact OD1-CG 3.24Å; N639-Q642 PolarHBondContact OD1-N 3.49Å; Q642-R644 VanDerWaalsContact C-N 3.29Å; Q642-R644 PolarHBondContact O-N 2.96Å; Q642-K645 WeakPolarHBondContact O-CB 3.1Å; Q642-K645 PolarHBondContact O-N 3.02Å; Q642-R646 PolarHBondContact O-N 3.46Å
643	I	98	Very high	97.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68	-31.8	174.2	-168.7	167.8	0	0	0	111.6	E350 I353 A354 W621 Y637 N639 L640 R646 L647	E350-I643 HydrophobicContact CB-CD1 4.08Å; E350-I643 HydrophobicContact CB-CG2 4.45Å; E350-I643 HydrophobicContact CG-CG2 3.98Å; E350-I643 VanDerWaalsContact O-CD1 3.24Å; E350-I643 WeakPolarHBondContact O-CD1 3.49Å; I353-I643 HydrophobicContact CG2-CD1 3.96Å; I353-I643 HydrophobicContact CG2-CG1 3.77Å; A354-I643 HydrophobicContact CB-CD1 4.04Å; W621-I643 HydrophobicContact CB-CD1 3.77Å; W621-I643 HydrophobicContact CD2-CD1 4.14Å; W621-I643 HydrophobicContact CD2-CG2 4.47Å; W621-I643 HydrophobicContact CE3-CD1 4.15Å; W621-I643 HydrophobicContact CG-CD1 4Å; Y637-I643 HydrophobicContact CD2-CB 3.95Å; Y637-I643 HydrophobicContact CD2-CD1 4.15Å; Y637-I643 HydrophobicContact CD2-CG1 4.2Å; Y637-I643 HydrophobicContact CE1-CG1 4.42Å; Y637-I643 HydrophobicContact CE2-CB 4.34Å; Y637-I643 HydrophobicContact CE2-CD1 3.7Å; Y637-I643 HydrophobicContact CE2-CG1 4.09Å; Y637-I643 HydrophobicContact CG-CB 4.07Å; Y637-I643 HydrophobicContact CG-CG1 4.43Å; N639-I643 PolarHBondContact O-N 3.37Å; N639-I643 VanDerWaalsContact O-N 3.14Å; L640-I643 HydrophobicContact CD1-CG2 4.05Å; L640-I643 WeakPolarHBondContact O-CG2 3.18Å; I643-R646 CarbonylContact O-C 3.38Å; I643-R646 WeakPolarHBondContact O-CA 3.44Å; I643-R646 VanDerWaalsContact O-CB 3.32Å; I643-R646 WeakPolarHBondContact O-CB 3.4Å; I643-R646 PolarHBondContact O-N 2.8Å; I643-R646 VanDerWaalsContact O-N 3.15Å; I643-L647 PolarHBondContact O-N 3.48Å
644	R	98.1	Very high	97.3	Very high	33 Å²	33	56.6 Å²	56.6	13%	0.125	29%	0.288	C	S	.	.	H	α-helix	trans	-68.3	-35.6	171.9	-73.9	167.7	174.7	-166.6	-8.3	112.8	E350 L640 D641 Q642 R646 L647 E648 V655 Y657	E350-R644 IonicContact OE1-CZ 2.93Å; E350-R644 IonicContact OE1-NE 3.7Å; E350-R644 PolarHBondContact OE1-NE 3.15Å; E350-R644 IonicContact OE1-NH2 2.63Å; L640-R644 WeakPolarHBondContact O-CB 3.4Å; L640-R644 WeakPolarHBondContact O-CD 3.49Å; L640-R644 VanDerWaalsContact O-CG 3.27Å; L640-R644 WeakPolarHBondContact O-CG 3.12Å; L640-R644 PolarHBondContact O-N 2.94Å; D641-R644 PolarHBondContact O-N 2.96Å; Q642-R644 VanDerWaalsContact C-N 3.29Å; Q642-R644 PolarHBondContact O-N 2.96Å; R644-R646 VanDerWaalsContact C-N 3.26Å; R644-R646 PolarHBondContact O-N 3.12Å; R644-L647 HydrophobicContact CG-CD1 4.33Å; R644-L647 WeakPolarHBondContact O-CB 3.16Å; R644-L647 PolarHBondContact O-N 3.41Å; R644-E648 PolarHBondContact O-N 3.14Å; R644-V655 HydrophobicContact CB-CG1 4.2Å; R644-V655 VanDerWaalsContact O-CG1 3.28Å; R644-V655 WeakPolarHBondContact O-CG1 3.41Å; R644-Y657 PolarHBondContact NE-OH 3.49Å
645	K	98.2	Very high	97.3	Very high	128 Å²	128	55.1 Å²	55.1	56%	0.557	28%	0.278	S	S	*	.	H	α-helix	trans	-60.8	-39.2	167.8	-71.5	172.8	-178.3	179.9	0	111.4	D641 Q642 E648 E649	D641-K645 WeakPolarHBondContact O-CG 3.41Å; D641-K645 PolarHBondContact O-N 3.36Å; Q642-K645 WeakPolarHBondContact O-CB 3.1Å; Q642-K645 PolarHBondContact O-N 3.02Å; K645-E648 WeakPolarHBondContact O-CB 3.48Å; K645-E648 PolarHBondContact O-N 2.94Å; K645-E649 WeakPolarHBondContact O-CG 3.29Å; K645-E649 PolarHBondContact O-N 3.2Å
646	R	98.1	Very high	97.3	Very high	65 Å²	65	60.2 Å²	60.2	25%	0.245	30%	0.298	C	S	.	.	H	α-helix	trans	-64.9	-38.5	173.7	-179.6	58.6	-178.3	146.8	8.6	112.3	I353 D357 Y637 Q642 I643 R644 E648 E649 V650	I353-R646 HydrophobicContact CG1-CG 3.98Å; D357-R646 IonicContact OD1-CZ 3.95Å; D357-R646 IonicContact OD1-NE 3.72Å; D357-R646 PolarHBondContact OD1-NE 2.96Å; D357-R646 IonicContact OD1-NH2 3.8Å; D357-R646 PolarHBondContact OD1-NH2 3.46Å; D357-R646 WeakPolarHBondContact OD2-CG 3.36Å; D357-R646 IonicContact OD2-CZ 2.7Å; D357-R646 IonicContact OD2-NE 3.6Å; D357-R646 PolarHBondContact OD2-NE 3.15Å; D357-R646 IonicContact OD2-NH2 3.79Å; Y637-R646 HydrophobicContact CD1-CB 4.25Å; Y637-R646 HydrophobicContact CD1-CG 4.37Å; Y637-R646 HydrophobicContact CE1-CB 4.48Å; Y637-R646 HydrophobicContact CE1-CG 4.17Å; Q642-R646 PolarHBondContact O-N 3.46Å; I643-R646 CarbonylContact O-C 3.38Å; I643-R646 WeakPolarHBondContact O-CA 3.44Å; I643-R646 VanDerWaalsContact O-CB 3.32Å; I643-R646 WeakPolarHBondContact O-CB 3.4Å; I643-R646 PolarHBondContact O-N 2.8Å; I643-R646 VanDerWaalsContact O-N 3.15Å; R644-R646 VanDerWaalsContact C-N 3.26Å; R644-R646 PolarHBondContact O-N 3.12Å; R646-E648 VanDerWaalsContact C-N 3.32Å; R646-E649 VanDerWaalsContact CD-OE2 3.28Å; R646-E649 WeakPolarHBondContact CD-OE2 3.02Å; R646-E649 IonicContact CZ-OE2 3.63Å; R646-E649 IonicContact NE-OE2 3.71Å; R646-E649 IonicContact NH1-OE2 2.75Å; R646-E649 PolarHBondContact NH1-OE2 2.89Å; R646-E649 PolarHBondContact O-N 3.2Å; R646-V650 PolarHBondContact O-N 3.28Å
647	L	97.9	Very high	97.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-44.7	170	-72.2	172.8	0	0	0	110.9	A349 E350 I353 L529 I643 R644 E649 V650 S651 L654 V655	A349-L647 HydrophobicContact CB-CD1 4.19Å; A349-L647 HydrophobicContact CB-CD2 4.15Å; E350-L647 HydrophobicContact CG-CD1 3.93Å; I353-L647 HydrophobicContact CB-CD2 3.65Å; I353-L647 HydrophobicContact CG1-CD2 4.27Å; I353-L647 HydrophobicContact CG2-CD2 3.44Å; I353-L647 VanDerWaalsContact CG2-CD2 3.44Å; I353-L647 HydrophobicContact CG2-CG 3.89Å; L529-L647 HydrophobicContact CD1-CD2 4.22Å; L529-L647 HydrophobicContact CD2-CD2 3.87Å; I643-L647 PolarHBondContact O-N 3.48Å; R644-L647 HydrophobicContact CG-CD1 4.33Å; R644-L647 WeakPolarHBondContact O-CB 3.16Å; R644-L647 PolarHBondContact O-N 3.41Å; L647-E649 VanDerWaalsContact C-N 3.34Å; L647-E649 PolarHBondContact O-N 3.04Å; L647-V650 PolarHBondContact O-N 3.33Å; L647-S651 CarbonylContact O-C 3.6Å; L647-S651 PolarHBondContact O-N 3.44Å; L647-S651 VanDerWaalsContact O-O 3.06Å; L647-L654 HydrophobicContact CB-CB 4.4Å; L647-L654 HydrophobicContact CD2-CD1 3.8Å; L647-V655 HydrophobicContact CB-CG1 4.23Å
648	E	98	Very high	97	Very high	100 Å²	100	62.6 Å²	62.6	47%	0.467	30%	0.301	S	S	.	.	H	α-helix	trans	-60.4	-40.8	178.5	-172.6	179.2	-168.5	0	0	112.8	R644 K645 R646 V650 P652 V655	R644-E648 PolarHBondContact O-N 3.14Å; K645-E648 WeakPolarHBondContact O-CB 3.48Å; K645-E648 PolarHBondContact O-N 2.94Å; R646-E648 VanDerWaalsContact C-N 3.32Å; E648-V650 VanDerWaalsContact C-N 3.3Å; E648-V650 PolarHBondContact O-N 3.24Å; E648-P652 HydrophobicContact CG-CB 4.26Å; E648-P652 WeakPolarHBondContact O-CA 3.28Å; E648-V655 HydrophobicContact CB-CG1 4.2Å; E648-V655 HydrophobicContact CB-CG2 3.78Å; E648-V655 HydrophobicContact CG-CG2 3.77Å
649	E	97.9	Very high	96.9	Very high	139 Å²	139	59.9 Å²	59.9	65%	0.65	29%	0.291	S	S	*	.	H	α-helix	trans	-62	-35.6	176.2	-72	171.5	-173.8	0	0	113.2	K645 R646 L647	K645-E649 WeakPolarHBondContact O-CG 3.29Å; K645-E649 PolarHBondContact O-N 3.2Å; R646-E649 VanDerWaalsContact CD-OE2 3.28Å; R646-E649 WeakPolarHBondContact CD-OE2 3.02Å; R646-E649 IonicContact CZ-OE2 3.63Å; R646-E649 IonicContact NE-OE2 3.71Å; R646-E649 IonicContact NH1-OE2 2.75Å; R646-E649 PolarHBondContact NH1-OE2 2.89Å; R646-E649 PolarHBondContact O-N 3.2Å; L647-E649 VanDerWaalsContact C-N 3.34Å; L647-E649 PolarHBondContact O-N 3.04Å
650	V	97.5	Very high	96.8	Very high	47 Å²	47	58 Å²	58	29%	0.285	28%	0.282	S	S	.	.	H	α-helix	trans	-88	-46.7	-177.4	177.1	0	0	0	0	111.1	I353 L529 R646 L647 E648	I353-V650 HydrophobicContact CD1-CB 4.46Å; I353-V650 HydrophobicContact CD1-CG2 3.89Å; L529-V650 HydrophobicContact CD2-CB 4.41Å; L529-V650 HydrophobicContact CD2-CG1 3.93Å; R646-V650 PolarHBondContact O-N 3.28Å; L647-V650 PolarHBondContact O-N 3.33Å; E648-V650 VanDerWaalsContact C-N 3.3Å; E648-V650 PolarHBondContact O-N 3.24Å
651	S	96.4	Very high	96.6	Very high	12 Å²	12	59.1 Å²	59.1	8%	0.084	29%	0.287	C	S	.	.			trans	-148.6	96.8	-178.4	-160.9	0	0	0	0	110.2	L647 N653 L654	L647-S651 CarbonylContact O-C 3.6Å; L647-S651 PolarHBondContact O-N 3.44Å; L647-S651 VanDerWaalsContact O-O 3.06Å; S651-N653 WeakPolarHBondContact CB-OD1 3.38Å; S651-N653 PolarHBondContact O-N 3.46Å; S651-N653 VanDerWaalsContact O-N 3.14Å; S651-N653 PolarHBondContact O-OD1 3.27Å; S651-N653 PolarHBondContact OG-OD1 2.93Å; S651-L654 PolarHBondContact O-N 2.86Å; S651-L654 VanDerWaalsContact O-N 3.15Å
652	P	96.5	Very high	96	Very high	61 Å²	61	60.6 Å²	60.6	40%	0.396	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-67.7	-16.6	-170.5	25.4	-35	0	0	0	114.8	E648 L654 V655	E648-P652 HydrophobicContact CG-CB 4.26Å; E648-P652 WeakPolarHBondContact O-CA 3.28Å; P652-L654 VanDerWaalsContact C-N 3.27Å; P652-L654 PolarHBondContact O-N 3.4Å; P652-V655 WeakPolarHBondContact O-CG2 3.42Å
653	N	95.9	Very high	95.4	Very high	12 Å²	12	57.9 Å²	57.9	6%	0.064	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-64.6	-29	173.7	64.7	-29.7	0	0	0	112.9	R383 D528 A604 S651 V655 R656 E661	R383-N653 PolarHBondContact NE-ND2 3.48Å; R383-N653 PolarHBondContact NH2-ND2 3Å; D528-N653 PolarHBondContact OD2-ND2 3.15Å; A604-N653 WeakPolarHBondContact CB-O 3.45Å; S651-N653 WeakPolarHBondContact CB-OD1 3.38Å; S651-N653 PolarHBondContact O-N 3.46Å; S651-N653 VanDerWaalsContact O-N 3.14Å; S651-N653 PolarHBondContact O-OD1 3.27Å; S651-N653 PolarHBondContact OG-OD1 2.93Å; N653-V655 PolarHBondContact O-N 2.74Å; N653-R656 PolarHBondContact O-N 3.48Å; N653-E661 HydrophobicContact CB-CB 4.33Å; N653-E661 HydrophobicContact CB-CG 3.86Å
654	L	97	Very high	94.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-67.9	-19	-174.7	-59.9	-179.3	0	0	0	113.1	A349 D528 L529 T596 V598 L647 S651 P652	A349-L654 HydrophobicContact CB-CD1 4.42Å; D528-L654 HydrophobicContact CB-CD2 4.19Å; L529-L654 HydrophobicContact CD1-CD1 4.36Å; L529-L654 HydrophobicContact CD2-CD1 3.54Å; L529-L654 HydrophobicContact CG-CD1 3.8Å; T596-L654 VanDerWaalsContact CG2-O 3.27Å; T596-L654 WeakPolarHBondContact CG2-O 3.49Å; V598-L654 HydrophobicContact CG2-CD2 3.31Å; L647-L654 HydrophobicContact CB-CB 4.4Å; L647-L654 HydrophobicContact CD2-CD1 3.8Å; S651-L654 PolarHBondContact O-N 2.86Å; S651-L654 VanDerWaalsContact O-N 3.15Å; P652-L654 VanDerWaalsContact C-N 3.27Å; P652-L654 PolarHBondContact O-N 3.4Å
655	V	97.2	Very high	94.4	Very high	32 Å²	32	67.1 Å²	67.1	19%	0.194	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-104.6	-1.9	179.9	-62.4	0	0	0	0	113.7	R644 L647 E648 P652 N653 Y657	R644-V655 HydrophobicContact CB-CG1 4.2Å; R644-V655 VanDerWaalsContact O-CG1 3.28Å; R644-V655 WeakPolarHBondContact O-CG1 3.41Å; L647-V655 HydrophobicContact CB-CG1 4.23Å; E648-V655 HydrophobicContact CB-CG1 4.2Å; E648-V655 HydrophobicContact CB-CG2 3.78Å; E648-V655 HydrophobicContact CG-CG2 3.77Å; P652-V655 WeakPolarHBondContact O-CG2 3.42Å; N653-V655 PolarHBondContact O-N 2.74Å; V655-Y657 WeakPolarHBondContact O-CD2 3.25Å; V655-Y657 PolarHBondContact O-N 3.26Å
656	R	96.8	Very high	93.9	Very high	110 Å²	110	61.9 Å²	61.9	42%	0.415	30%	0.298	S	S	.	.	S	Bend	trans	-97.5	79.9	178.2	-65.8	178.4	-175.1	179.4	2.8	109.3	N653 D659 E661	N653-R656 PolarHBondContact O-N 3.48Å; R656-D659 HydrophobicContact CB-CB 4.44Å; R656-E661 WeakPolarHBondContact CD-OE1 3.11Å; R656-E661 IonicContact CZ-OE1 3.59Å; R656-E661 IonicContact NE-OE1 2.95Å; R656-E661 IonicContact NH1-OE1 3.88Å; R656-E661 PolarHBondContact NH1-OE1 2.88Å; R656-E661 IonicContact NH1-OE2 3.06Å; R656-E661 PolarHBondContact NH1-OE2 2.78Å
657	Y	96.9	Very high	93.3	Very high	60 Å²	60	61.1 Å²	61.1	24%	0.235	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-68.4	143.2	-174.6	-53.5	-72.1	0	0	0	111.8	T596 A604 Q606 R644 V655 D659	T596-Y657 HydrophobicContact CG2-CE1 4.02Å; T596-Y657 PolarHBondContact OG1-OH 3.15Å; A604-Y657 HydrophobicContact CB-CD1 4.39Å; A604-Y657 VanDerWaalsContact O-CA 3.32Å; A604-Y657 WeakPolarHBondContact O-CA 3.47Å; Q606-Y657 HydrophobicContact CB-CD1 4.03Å; Q606-Y657 HydrophobicContact CB-CE1 3.76Å; Q606-Y657 HydrophobicContact CG-CD1 4.07Å; Q606-Y657 HydrophobicContact CG-CE1 4.15Å; Q606-Y657 HydrophobicContact CG-CG 4.37Å; R644-Y657 PolarHBondContact NE-OH 3.49Å; V655-Y657 WeakPolarHBondContact O-CD2 3.25Å; V655-Y657 PolarHBondContact O-N 3.26Å; Y657-D659 PolarHBondContact O-N 2.85Å
658	D	92.4	Very high	93	Very high	88 Å²	88	65.1 Å²	65.1	47%	0.471	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	10.9	179.1	-150.9	26.4	0	0	0	115.3	H279 R603 A604	H279-D658 IonicContact CE1-OD1 3.45Å; H279-D658 IonicContact NE2-OD1 3.48Å; H279-D658 PolarHBondContact NE2-OD1 2.78Å; R603-D658 IonicContact CZ-OD1 2.76Å; R603-D658 PolarHBondContact NH1-O 2.83Å; R603-D658 IonicContact NH1-OD1 3.36Å; R603-D658 PolarHBondContact NH1-OD1 3.22Å; A604-D658 PolarHBondContact O-N 3.39Å
659	D	91.9	Very high	92.6	Very high	92 Å²	92	60.3 Å²	60.3	49%	0.492	30%	0.299	S	S	.	.			trans	-106.3	137.8	171.4	-71	-37.8	0	0	0	110.1	R656 Y657	R656-D659 HydrophobicContact CB-CB 4.44Å; Y657-D659 PolarHBondContact O-N 2.85Å
660	V	94.8	Very high	92.1	Very high	25 Å²	25	54.1 Å²	54.1	15%	0.152	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-99.5	98.6	167.5	179.6	0	0	0	0	108.1	K391 E601 R603 E662	K391-V660 HydrophobicContact CD-CB 4.39Å; K391-V660 HydrophobicContact CD-CG1 4.37Å; K391-V660 HydrophobicContact CD-CG2 4.45Å; K391-V660 HydrophobicContact CG-CG1 4.18Å; E601-V660 HydrophobicContact CG-CG2 4.28Å; E601-V660 WeakPolarHBondContact O-CG1 3.22Å; E601-V660 WeakPolarHBondContact OE1-CG2 3.36Å; R603-V660 HydrophobicContact CB-CG2 3.83Å; R603-V660 HydrophobicContact CG-CG2 4.18Å; V660-E662 PolarHBondContact O-N 3.2Å
661	E	92.5	Very high	91.8	Very high	59 Å²	59	57.9 Å²	57.9	28%	0.276	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-64.2	123.5	176.5	-70.5	-69.7	163.6	0	0	110.7	N653 R656 A663	N653-E661 HydrophobicContact CB-CB 4.33Å; N653-E661 HydrophobicContact CB-CG 3.86Å; R656-E661 WeakPolarHBondContact CD-OE1 3.11Å; R656-E661 IonicContact CZ-OE1 3.59Å; R656-E661 IonicContact NE-OE1 2.95Å; R656-E661 IonicContact NH1-OE1 3.88Å; R656-E661 PolarHBondContact NH1-OE1 2.88Å; R656-E661 IonicContact NH1-OE2 3.06Å; R656-E661 PolarHBondContact NH1-OE2 2.78Å; E661-A663 PolarHBondContact O-N 3.16Å
662	E	85.1	Confident	91.5	Very high	141 Å²	141	60.6 Å²	60.6	66%	0.659	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-64.3	118.5	-177	-70.1	-169.1	173.3	0	0	111.8	V660	V660-E662 PolarHBondContact O-N 3.2Å
663	A	85.4	Confident	91	Very high	12 Å²	12	58 Å²	58	10%	0.099	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-84.7	125.9	170.6	0	0	0	0	0	110.6	R383 L387 E661 F666	R383-A663 HydrophobicContact CB-CB 4.07Å; L387-A663 HydrophobicContact CD1-CB 4.08Å; E661-A663 PolarHBondContact O-N 3.16Å; A663-F666 WeakPolarHBondContact O-CE2 3.28Å
664	N	86.4	Confident	90.6	Very high	77 Å²	77	64 Å²	64	41%	0.412	31%	0.307	S	S	.	.			trans	-111.3	-167.8	179.9	-78.3	-41.7	0	0	0	111.6	S384 F666	S384-N664 WeakPolarHBondContact CB-O 3.11Å; S384-N664 PolarHBondContact OG-O 2.94Å; N664-F666 PolarHBondContact O-N 2.98Å
665	Y	90	Very high	90.1	Very high	149 Å²	149	70 Å²	70	58%	0.584	34%	0.338	S	S	*	.			trans	69.4	26.7	173	-49.1	-54.8	0	0	0	117.7	L382 S667 Q668 A669	L382-Y665 HydrophobicContact CD2-CD2 4.11Å; Y665-S667 PolarHBondContact O-N 2.89Å; Y665-Q668 PolarHBondContact O-N 2.63Å; Y665-Q668 PolarHBondContact O-OE1 3.13Å; Y665-A669 PolarHBondContact O-N 2.76Å
666	F	87.4	Confident	89.5	Confident	19 Å²	19	70 Å²	70	8%	0.083	34%	0.338	C	S	.	.	H	α-helix	trans	-54.8	-36.6	175	-63.4	-89.8	0	0	0	114.1	N389 K512 M514 A663 N664 A669 N670	N389-F666 HydrophobicContact CB-CE1 4.24Å; N389-F666 HydrophobicContact CB-CZ 3.88Å; N389-F666 WeakPolarHBondContact ND2-CE1 3.4Å; K512-F666 HydrophobicContact CB-CZ 4.1Å; K512-F666 HydrophobicContact CD-CE2 3.68Å; K512-F666 HydrophobicContact CD-CZ 4.02Å; K512-F666 HydrophobicContact CG-CE2 4.32Å; K512-F666 HydrophobicContact CG-CZ 4.15Å; M514-F666 HydrophobicContact CB-CD1 4.24Å; M514-F666 HydrophobicContact CB-CE1 4.3Å; A663-F666 WeakPolarHBondContact O-CE2 3.28Å; N664-F666 PolarHBondContact O-N 2.98Å; F666-A669 PolarHBondContact O-N 2.88Å; F666-N670 WeakPolarHBondContact O-CB 3.38Å; F666-N670 PolarHBondContact O-N 2.78Å
667	S	86.1	Confident	88.6	Confident	48 Å²	48	74.8 Å²	74.8	34%	0.336	36%	0.361	S	S	.	.	H	α-helix	trans	-63.4	-46.6	178.4	34.8	0	0	0	0	112	Y665 A669 N670 E671	Y665-S667 PolarHBondContact O-N 2.89Å; S667-A669 VanDerWaalsContact C-N 3.33Å; S667-N670 PolarHBondContact O-N 3.15Å; S667-E671 WeakPolarHBondContact O-CG 3.33Å; S667-E671 PolarHBondContact O-N 2.7Å
668	Q	91.6	Very high	88.1	Confident	84 Å²	84	75.6 Å²	75.6	39%	0.393	37%	0.367	S	S	.	.	H	α-helix	trans	-65	-42	178.5	-67.5	78.7	-3.9	0	0	110.2	L382 Y665 N670 E671 L672	L382-Q668 HydrophobicContact CD1-CB 4.34Å; Y665-Q668 PolarHBondContact O-N 2.63Å; Y665-Q668 PolarHBondContact O-OE1 3.13Å; Q668-N670 VanDerWaalsContact C-N 3.3Å; Q668-N670 PolarHBondContact O-N 3.18Å; Q668-E671 PolarHBondContact O-N 2.91Å; Q668-L672 WeakPolarHBondContact O-CG 3.3Å; Q668-L672 PolarHBondContact O-N 2.93Å
669	A	89.1	Confident	87.9	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-60.3	-41.4	177.1	0	0	0	0	0	112.1	A378 L382 N385 Y665 F666 S667 L672 S673	A378-A669 HydrophobicContact CB-CB 4.17Å; L382-A669 HydrophobicContact CD1-CB 3.61Å; N385-A669 WeakPolarHBondContact OD1-CB 3.38Å; Y665-A669 PolarHBondContact O-N 2.76Å; F666-A669 PolarHBondContact O-N 2.88Å; S667-A669 VanDerWaalsContact C-N 3.33Å; A669-L672 PolarHBondContact O-N 3.03Å; A669-S673 PolarHBondContact O-N 2.7Å
670	N	88.1	Confident	87.9	Confident	8 Å²	8	75.4 Å²	75.4	4%	0.043	36%	0.361	C	S	.	.	H	α-helix	trans	-71.7	-32.8	175.1	-176.6	50.8	0	0	0	113.3	S495 Q499 F666 S667 Q668 L672 S673 K674	S495-N670 PolarHBondContact OG-OD1 2.74Å; Q499-N670 WeakPolarHBondContact CG-ND2 3.41Å; F666-N670 WeakPolarHBondContact O-CB 3.38Å; F666-N670 PolarHBondContact O-N 2.78Å; S667-N670 PolarHBondContact O-N 3.15Å; Q668-N670 VanDerWaalsContact C-N 3.3Å; Q668-N670 PolarHBondContact O-N 3.18Å; N670-L672 VanDerWaalsContact C-N 3.34Å; N670-S673 WeakPolarHBondContact CA-OG 3.39Å; N670-S673 PolarHBondContact O-N 2.78Å; N670-S673 PolarHBondContact O-OG 2.85Å; N670-S673 PolarHBondContact OD1-OG 3.13Å; N670-K674 WeakPolarHBondContact O-CG 3.22Å; N670-K674 PolarHBondContact O-N 3.41Å
671	E	90.4	Very high	87.7	Confident	126 Å²	126	77.4 Å²	77.4	59%	0.589	37%	0.371	S	S	*	.	H	α-helix	trans	-64.5	-41.3	173	-76.6	174.2	-174.9	0	0	111.6	S667 Q668 K674	S667-E671 WeakPolarHBondContact O-CG 3.33Å; S667-E671 PolarHBondContact O-N 2.7Å; Q668-E671 PolarHBondContact O-N 2.91Å; E671-K674 PolarHBondContact O-N 2.9Å
672	L	89.8	Confident	87.6	Confident	70 Å²	70	79 Å²	79	37%	0.366	39%	0.394	S	S	.	.	H	α-helix	trans	-69.7	-33.8	176.3	-67.8	170.1	0	0	0	112.2	G377 A378 Q668 A669 N670 K674 L675	G377-L672 WeakPolarHBondContact CA-O 3.42Å; A378-L672 HydrophobicContact CB-CB 4.17Å; A378-L672 HydrophobicContact CB-CD1 3.74Å; Q668-L672 WeakPolarHBondContact O-CG 3.3Å; Q668-L672 PolarHBondContact O-N 2.93Å; A669-L672 PolarHBondContact O-N 3.03Å; N670-L672 VanDerWaalsContact C-N 3.34Å; L672-K674 VanDerWaalsContact C-N 3.27Å; L672-K674 PolarHBondContact O-N 3Å; L672-L675 HydrophobicContact CD2-CD1 4.21Å; L672-L675 WeakPolarHBondContact O-CB 3.42Å; L672-L675 PolarHBondContact O-N 3.11Å
673	S	86.6	Confident	87.9	Confident	5 Å²	5	77.2 Å²	77.2	4%	0.035	39%	0.389	C	S	.	.	H	α-helix	trans	-65.9	-28.9	177	77	0	0	0	0	112.6	A669 N670 L675 V676	A669-S673 PolarHBondContact O-N 2.7Å; N670-S673 WeakPolarHBondContact CA-OG 3.39Å; N670-S673 PolarHBondContact O-N 2.78Å; N670-S673 PolarHBondContact O-OG 2.85Å; N670-S673 PolarHBondContact OD1-OG 3.13Å; S673-L675 PolarHBondContact O-N 2.95Å; S673-V676 WeakPolarHBondContact O-CB 3.14Å; S673-V676 VanDerWaalsContact O-CG2 3.23Å; S673-V676 WeakPolarHBondContact O-CG2 3.45Å; S673-V676 PolarHBondContact O-N 3.29Å
674	K	86.8	Confident	88.4	Confident	140 Å²	140	79.4 Å²	79.4	61%	0.609	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.2	174.5	-69.4	172.4	-174.3	177.7	0	114	N670 E671 L672	N670-K674 WeakPolarHBondContact O-CG 3.22Å; N670-K674 PolarHBondContact O-N 3.41Å; E671-K674 PolarHBondContact O-N 2.9Å; L672-K674 VanDerWaalsContact C-N 3.27Å; L672-K674 PolarHBondContact O-N 3Å
675	L	87.9	Confident	88.8	Confident	126 Å²	126	75.9 Å²	75.9	66%	0.66	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-12.3	175.2	-58.3	176.6	0	0	0	112.4	L672 S673 K677	L672-L675 HydrophobicContact CD2-CD1 4.21Å; L672-L675 WeakPolarHBondContact O-CB 3.42Å; L672-L675 PolarHBondContact O-N 3.11Å; S673-L675 PolarHBondContact O-N 2.95Å; L675-K677 PolarHBondContact O-N 3.45Å
676	V	84.1	Confident	89.1	Confident	30 Å²	30	72.7 Å²	72.7	18%	0.182	38%	0.379	C	S	.	.			trans	-70.4	110.3	-179.7	-178.8	0	0	0	0	109.7	A376 A488 S673 Q678	A376-V676 HydrophobicContact CB-CG1 4.27Å; A376-V676 HydrophobicContact CB-CG2 3.82Å; A488-V676 HydrophobicContact CB-CG1 4.01Å; S673-V676 WeakPolarHBondContact O-CB 3.14Å; S673-V676 VanDerWaalsContact O-CG2 3.23Å; S673-V676 WeakPolarHBondContact O-CG2 3.45Å; S673-V676 PolarHBondContact O-N 3.29Å; V676-Q678 VanDerWaalsContact C-N 3.33Å; V676-Q678 HydrophobicContact CG1-CB 3.96Å; V676-Q678 PolarHBondContact O-N 2.86Å
677	K	77.9	Confident	89.4	Confident	211 Å²	211	71.9 Å²	71.9	92%	0.917	38%	0.376	S	S	*	.			trans	-94.7	55.5	177.3	-62.7	-177.9	-176.1	177.8	0	111.2	L675	L675-K677 PolarHBondContact O-N 3.45Å
678	Q	85.8	Confident	89.7	Confident	77 Å²	77	73 Å²	73	36%	0.36	38%	0.382	S	S	.	.			trans	-116.3	137.9	176.5	-169.5	169.3	24	0	0	110.3	S485 A489 V676	S485-Q678 PolarHBondContact O-NE2 3.44Å; A489-Q678 HydrophobicContact CB-CB 4.06Å; A489-Q678 HydrophobicContact CB-CG 4.13Å; A489-Q678 WeakPolarHBondContact CB-O 3.1Å; V676-Q678 VanDerWaalsContact C-N 3.33Å; V676-Q678 HydrophobicContact CG1-CB 3.96Å; V676-Q678 PolarHBondContact O-N 2.86Å
679	Q	88.8	Confident	89.8	Confident	151 Å²	151	69.8 Å²	69.8	71%	0.706	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-90.6	147.6	176.8	-64.6	-63	-30.2	0	0	110
680	L	90.6	Very high	90	Very high	25 Å²	25	73.7 Å²	73.7	13%	0.131	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-70.7	138	169.6	-67.7	176.2	0	0	0	109.6	P450 Q454 A489 I490	P450-L680 HydrophobicContact CB-CB 4.23Å; P450-L680 HydrophobicContact CB-CD1 4.01Å; P450-L680 HydrophobicContact CB-CD2 4.22Å; P450-L680 HydrophobicContact CB-CG 4.4Å; P450-L680 WeakPolarHBondContact O-CD1 3.38Å; Q454-L680 HydrophobicContact CG-CD1 3.57Å; A489-L680 HydrophobicContact CB-CD2 3.64Å; A489-L680 HydrophobicContact CB-CG 4.18Å; I490-L680 HydrophobicContact CB-CD2 4.43Å; I490-L680 HydrophobicContact CG1-CD2 3.61Å
681	L	91.5	Very high	90.3	Very high	67 Å²	67	76.6 Å²	76.6	35%	0.351	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-77.4	154.9	170.9	-62.2	173.8	0	0	0	110.2	S485 D486 D683	S485-L681 WeakPolarHBondContact OG-CD1 3.4Å; D486-L681 HydrophobicContact CB-CD1 4.11Å; D486-L681 HydrophobicContact CB-CG 3.86Å; D486-L681 WeakPolarHBondContact OD2-CB 3.49Å; D486-L681 PolarHBondContact OD2-N 3.44Å; L681-D683 PolarHBondContact O-N 3.43Å
682	A	89.4	Confident	90.4	Very high	93 Å²	93	71.7 Å²	71.7	77%	0.769	38%	0.384	S	S	*	.	S	Bend	trans	-72.5	-17.5	176.9	0	0	0	0	0	113.1
683	D	93.1	Very high	90.6	Very high	103 Å²	103	73 Å²	73	55%	0.551	39%	0.386	S	S	*	.	S	Bend	trans	-59.8	139.5	-176.8	-63.8	-34.3	0	0	0	111.4	P450 R484 L681	P450-D683 WeakPolarHBondContact CD-O 3.42Å; P450-D683 VanDerWaalsContact CG-O 3.24Å; P450-D683 WeakPolarHBondContact CG-O 3.31Å; R484-D683 PolarHBondContact NH1-O 3.38Å; R484-D683 PolarHBondContact NH2-O 3.26Å; L681-D683 PolarHBondContact O-N 3.43Å
684	P	94.4	Very high	90.9	Very high	59 Å²	59	75.6 Å²	75.6	38%	0.383	40%	0.4	S	S	.	.			trans	-67.1	154.1	179.9	27.3	-33.7	0	0	0	112.2	D448 R484 V686	D448-P684 HydrophobicContact CB-CB 3.99Å; D448-P684 WeakPolarHBondContact O-CA 3.47Å; R484-P684 PolarHBondContact NH1-O 3.44Å; R484-P684 VanDerWaalsContact NH1-O 3.07Å; P684-V686 HydrophobicContact CB-CG2 4.19Å; P684-V686 HydrophobicContact CG-CG2 3.98Å; P684-V686 PolarHBondContact O-N 3.33Å; P684-V686 VanDerWaalsContact O-N 3.15Å
685	L	94.8	Very high	91.4	Very high	2 Å²	2	69 Å²	69	1%	0.01	37%	0.371	C	S	.	.			trans	-80	92	174.1	-66.7	168	0	0	0	109.5	I404 V433 G434 S435 D448 P450 L453 A481 I490	I404-L685 HydrophobicContact CG2-CD1 4.24Å; V433-L685 HydrophobicContact CG1-CD1 4.06Å; G434-L685 CarbonylContact C-O 3.57Å; G434-L685 VanDerWaalsContact CA-O 3.31Å; G434-L685 WeakPolarHBondContact CA-O 3.44Å; S435-L685 PolarHBondContact N-O 3.29Å; D448-L685 PolarHBondContact O-N 2.91Å; P450-L685 HydrophobicContact CG-CD1 4.48Å; P450-L685 HydrophobicContact CG-CD2 4.25Å; P450-L685 HydrophobicContact CG-CG 3.99Å; L453-L685 HydrophobicContact CD1-CD1 4.36Å; A481-L685 HydrophobicContact CB-CD2 4.32Å; I490-L685 HydrophobicContact CD1-CD2 3.71Å
686	V	96.3	Very high	91.8	Very high	82 Å²	82	63.4 Å²	63.4	50%	0.497	34%	0.341	S	S	.	.			trans	-105.2	116.9	179.1	-173.7	0	0	0	0	109.1	P684 L690	P684-V686 HydrophobicContact CB-CG2 4.19Å; P684-V686 HydrophobicContact CG-CG2 3.98Å; P684-V686 PolarHBondContact O-N 3.33Å; P684-V686 VanDerWaalsContact O-N 3.15Å; V686-L690 HydrophobicContact CG1-CD1 4.19Å; V686-L690 HydrophobicContact CG1-CD2 3.94Å; V686-L690 HydrophobicContact CG1-CG 4.43Å
687	P	93.9	Very high	92.5	Very high	3 Å²	3	65.2 Å²	65.2	2%	0.019	35%	0.349	C	S	.	.			trans	-70.3	150.8	173.9	30.8	-30.7	0	0	0	110	N407 S435 V437 Q689 L690	N407-P687 HydrophobicContact CB-CB 4.02Å; N407-P687 HydrophobicContact CB-CG 3.93Å; S435-P687 WeakPolarHBondContact OG-CD 3.41Å; V437-P687 HydrophobicContact CG1-CG 4.2Å; P687-Q689 PolarHBondContact O-N 3.13Å; P687-L690 HydrophobicContact CG-CD2 4Å
688	P	92.6	Very high	93.4	Very high	70 Å²	70	57.3 Å²	57.3	46%	0.455	32%	0.318	S	S	.	.	S	Bend	trans	-70	-22.5	-174.9	24.5	-31.3	0	0	0	112.8	A480	A480-P688 VanDerWaalsContact CB-CD 3.46Å; A480-P688 HydrophobicContact CB-CG 3.83Å
689	Q	94.1	Very high	93.9	Very high	17 Å²	17	54.4 Å²	54.4	8%	0.079	31%	0.305	C	S	.	.			trans	-111	101	178	-65.3	173.3	-30	0	0	109.2	N407 F410 P687 D694	N407-Q689 PolarHBondContact ND2-O 3.2Å; F410-Q689 HydrophobicContact CB-CB 3.87Å; F410-Q689 VanDerWaalsContact CB-OE1 3.23Å; F410-Q689 HydrophobicContact CD2-CB 3.99Å; F410-Q689 HydrophobicContact CG-CB 4.39Å; F410-Q689 PolarHBondContact O-OE1 2.98Å; P687-Q689 PolarHBondContact O-N 3.13Å; Q689-D694 HydrophobicContact CB-CB 4.1Å; Q689-D694 HydrophobicContact CG-CB 4.05Å; Q689-D694 PolarHBondContact NE2-O 2.77Å
690	L	93	Very high	94.3	Very high	82 Å²	82	47.6 Å²	47.6	43%	0.429	27%	0.274	S	S	.	.			trans	-93.4	-34.5	-179.4	-67	174.7	0	0	0	111.7	V437 V686 P687 D694	V437-L690 HydrophobicContact CG1-CD2 4.22Å; V686-L690 HydrophobicContact CG1-CD1 4.19Å; V686-L690 HydrophobicContact CG1-CD2 3.94Å; V686-L690 HydrophobicContact CG1-CG 4.43Å; P687-L690 HydrophobicContact CG-CD2 4Å; L690-D694 PolarHBondContact N-OD2 3.06Å
691	T	94.2	Very high	94.7	Very high	70 Å²	70	46.4 Å²	46.4	43%	0.429	27%	0.268	S	S	.	.	S	Bend	trans	-126.5	162.9	-174.2	69.2	0	0	0	0	111.5	F410 K693 D694	F410-T691 WeakPolarHBondContact CE2-O 3.48Å; T691-K693 PolarHBondContact O-N 3.31Å; T691-K693 VanDerWaalsContact O-N 3.09Å; T691-D694 PolarHBondContact N-OD2 2.96Å; T691-D694 PolarHBondContact O-N 2.71Å; T691-D694 PolarHBondContact OG1-OD2 3.39Å
692	I	92.6	Very high	95	Very high	23 Å²	23	43.2 Å²	43.2	12%	0.118	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-20.9	177.1	-167.4	69.9	0	0	0	112.6	M216 E218 F410 D694 F695 Y696 V715	M216-I692 HydrophobicContact CE-CG2 3.83Å; E218-I692 HydrophobicContact CB-CD1 3.89Å; F410-I692 HydrophobicContact CD1-CD1 4.18Å; F410-I692 HydrophobicContact CE1-CB 4.19Å; F410-I692 HydrophobicContact CE1-CD1 3.53Å; F410-I692 HydrophobicContact CE1-CG1 4.46Å; F410-I692 HydrophobicContact CZ-CB 4.14Å; F410-I692 HydrophobicContact CZ-CD1 4.33Å; I692-D694 VanDerWaalsContact C-N 3.3Å; I692-D694 PolarHBondContact O-N 2.66Å; I692-F695 HydrophobicContact CD1-CB 4.42Å; I692-F695 HydrophobicContact CD1-CD1 4.21Å; I692-F695 WeakPolarHBondContact O-CB 3.24Å; I692-F695 PolarHBondContact O-N 3.4Å; I692-Y696 HydrophobicContact CG1-CE2 3.89Å; I692-Y696 VanDerWaalsContact O-CD2 3.23Å; I692-Y696 WeakPolarHBondContact O-CD2 3.42Å; I692-Y696 WeakPolarHBondContact O-CE2 3.48Å; I692-V715 HydrophobicContact CG2-CG1 3.65Å; I692-V715 HydrophobicContact CG2-CG2 4.03Å
693	K	93.3	Very high	95.4	Very high	96 Å²	96	42.1 Å²	42.1	42%	0.417	23%	0.227	S	C	.	.	H	α-helix	trans	-61	-41.3	172.9	-174.1	-165.4	171.6	-174.2	0	111.5	T691 F695 V712 V715 V716	T691-K693 PolarHBondContact O-N 3.31Å; T691-K693 VanDerWaalsContact O-N 3.09Å; K693-F695 PolarHBondContact O-N 3.2Å; K693-V712 HydrophobicContact CG-CG1 4Å; K693-V715 HydrophobicContact CB-CG1 3.97Å; K693-V716 HydrophobicContact CD-CG2 3.75Å; K693-V716 HydrophobicContact CG-CG2 4.07Å
694	D	93.4	Very high	95.6	Very high	61 Å²	61	37.3 Å²	37.3	33%	0.326	20%	0.202	S	C	.	.	H	α-helix	trans	-77.7	-12.2	-173.5	-47.3	-46.9	0	0	0	112	Q689 L690 T691 I692	Q689-D694 HydrophobicContact CB-CB 4.1Å; Q689-D694 HydrophobicContact CG-CB 4.05Å; Q689-D694 PolarHBondContact NE2-O 2.77Å; L690-D694 PolarHBondContact N-OD2 3.06Å; T691-D694 PolarHBondContact N-OD2 2.96Å; T691-D694 PolarHBondContact O-N 2.71Å; T691-D694 PolarHBondContact OG1-OD2 3.39Å; I692-D694 VanDerWaalsContact C-N 3.3Å; I692-D694 PolarHBondContact O-N 2.66Å
695	F	97.3	Very high	95.8	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-74.8	-41.5	179.9	169	-109.6	0	0	0	113	E218 K290 F410 P413 I692 K693 M697	E218-F695 HydrophobicContact CB-CD1 4.29Å; E218-F695 HydrophobicContact CB-CE1 4.04Å; E218-F695 HydrophobicContact CB-CZ 4.2Å; K290-F695 HydrophobicContact CB-CE1 4.03Å; K290-F695 HydrophobicContact CB-CE2 4.41Å; K290-F695 HydrophobicContact CB-CZ 3.69Å; K290-F695 WeakPolarHBondContact CE-O 3.27Å; K290-F695 PolarHBondContact NZ-O 2.98Å; F410-F695 HydrophobicContact CB-CB 4.18Å; F410-F695 HydrophobicContact CB-CD2 4.01Å; F410-F695 HydrophobicContact CD1-CB 3.87Å; F410-F695 HydrophobicContact CD1-CD2 4.25Å; F410-F695 HydrophobicContact CD1-CG 4.15Å; F410-F695 HydrophobicContact CG-CB 4.08Å; F410-F695 WeakPolarHBondContact O-CD2 3.49Å; P413-F695 HydrophobicContact CG-CD2 4.49Å; P413-F695 HydrophobicContact CG-CE2 3.55Å; P413-F695 HydrophobicContact CG-CZ 3.97Å; I692-F695 HydrophobicContact CD1-CB 4.42Å; I692-F695 HydrophobicContact CD1-CD1 4.21Å; I692-F695 WeakPolarHBondContact O-CB 3.24Å; I692-F695 PolarHBondContact O-N 3.4Å; K693-F695 PolarHBondContact O-N 3.2Å; F695-M697 VanDerWaalsContact C-N 3.34Å; F695-M697 PolarHBondContact O-N 2.83Å
696	Y	97.6	Very high	95.9	Very high	8 Å²	8	38.9 Å²	38.9	3%	0.031	20%	0.204	C	C	.	.	S	Bend	trans	-74.2	-15.4	-165	-69.2	-66.9	0	0	0	115.4	D289 I692 S702 M708 C711 V712 V715	D289-Y696 HydrophobicContact CB-CE1 4.34Å; I692-Y696 HydrophobicContact CG1-CE2 3.89Å; I692-Y696 VanDerWaalsContact O-CD2 3.23Å; I692-Y696 WeakPolarHBondContact O-CD2 3.42Å; I692-Y696 WeakPolarHBondContact O-CE2 3.48Å; Y696-S702 WeakPolarHBondContact O-CB 3.3Å; Y696-M708 HydrophobicContact CD1-CE 4.26Å; Y696-M708 HydrophobicContact CD1-SD 3.67Å; Y696-M708 HydrophobicContact CG-SD 4.35Å; Y696-M708 WeakPolarHBondContact O-CB 3.09Å; Y696-M708 WeakPolarHBondContact O-CG 3.23Å; Y696-C711 HydrophobicContact CD1-CB 3.88Å; Y696-C711 HydrophobicContact CD2-CB 3.84Å; Y696-C711 HydrophobicContact CE1-CB 3.89Å; Y696-C711 HydrophobicContact CE2-CB 3.85Å; Y696-C711 HydrophobicContact CG-CB 3.86Å; Y696-V712 HydrophobicContact CD2-CG2 4.36Å; Y696-V715 HydrophobicContact CD2-CG2 4.46Å; Y696-V715 HydrophobicContact CE2-CG2 3.81Å
697	M	97.2	Very high	95.9	Very high	68 Å²	68	35.7 Å²	35.7	34%	0.335	18%	0.184	S	C	.	.			trans	-133.4	87.4	-174	-76.2	-173.8	170	0	0	111.6	F695 R703 M708 A709 V712	F695-M697 VanDerWaalsContact C-N 3.34Å; F695-M697 PolarHBondContact O-N 2.83Å; M697-R703 HydrophobicContact CB-CG 3.96Å; M697-R703 HydrophobicContact CG-CG 4.35Å; M697-M708 HydrophobicContact CG-CB 4.5Å; M697-A709 HydrophobicContact CE-CB 3.58Å; M697-V712 HydrophobicContact CE-CG2 4.44Å; M697-V712 HydrophobicContact CG-CG2 4.24Å; M697-V712 HydrophobicContact SD-CG2 4.21Å
698	T	96.4	Very high	96.1	Very high	45 Å²	45	35.5 Å²	35.5	28%	0.276	18%	0.183	S	C	.	.	S	Bend	trans	-115.5	-31	-174.6	48	0	0	0	0	114.6	K290 S702 R703	K290-T698 WeakPolarHBondContact CE-OG1 3.39Å; K290-T698 VanDerWaalsContact NZ-CG2 3.26Å; K290-T698 PolarHBondContact NZ-OG1 2.69Å; T698-S702 PolarHBondContact N-OG 3.13Å; T698-S702 VanDerWaalsContact N-OG 3.09Å; T698-R703 VanDerWaalsContact C-NH1 3.28Å; T698-R703 PolarHBondContact O-NH1 3.43Å
699	D	97.3	Very high	96.3	Very high	17 Å²	17	34.3 Å²	34.3	9%	0.091	18%	0.179	C	C	.	.	S	Bend	trans	-133.4	174.6	-174	56.8	57	0	0	0	110.3	L255 L346 I701 S702 R703	L255-D699 WeakPolarHBondContact CD2-OD2 3.46Å; L346-D699 HydrophobicContact CD1-CB 4Å; L346-D699 HydrophobicContact CD2-CB 4.29Å; L346-D699 HydrophobicContact CG-CB 4.28Å; D699-I701 VanDerWaalsContact C-N 3.26Å; D699-I701 PolarHBondContact O-N 3.4Å; D699-I701 WeakPolarHBondContact OD1-CB 3.3Å; D699-I701 PolarHBondContact OD1-N 3.05Å; D699-S702 PolarHBondContact N-OG 2.74Å; D699-S702 PolarHBondContact O-N 3.18Å; D699-S702 PolarHBondContact O-OG 3.21Å; D699-S702 WeakPolarHBondContact OD1-CB 3.38Å; D699-S702 PolarHBondContact OD1-N 3.33Å; D699-S702 PolarHBondContact OD1-OG 3.41Å; D699-S702 PolarHBondContact OD2-OG 3.49Å; D699-R703 WeakPolarHBondContact O-CB 3.39Å; D699-R703 VanDerWaalsContact O-CG 3.3Å; D699-R703 WeakPolarHBondContact O-CG 3.24Å; D699-R703 PolarHBondContact O-N 2.93Å
700	S	97.6	Very high	96.3	Very high	7 Å²	7	37 Å²	37	5%	0.049	19%	0.19	C	C	.	.	H	α-helix	trans	-65.6	-27.3	-175.3	63.6	0	0	0	0	113.6	D552 H572 A704	D552-S700 VanDerWaalsContact OD2-CB 3.31Å; D552-S700 WeakPolarHBondContact OD2-CB 3.33Å; H572-S700 PolarHBondContact CE1-OG 3.35Å; S700-A704 VanDerWaalsContact O-CB 3.3Å; S700-A704 WeakPolarHBondContact O-CB 3.29Å; S700-A704 PolarHBondContact O-N 2.92Å; S700-A704 VanDerWaalsContact O-N 3.15Å
701	I	98.4	Very high	96.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-72.8	-51.4	178.1	-52	178.7	0	0	0	109.7	L255 A294 L298 L346 Y590 D699 R703 A704 S705	L255-I701 HydrophobicContact CD2-CB 4.11Å; L255-I701 HydrophobicContact CD2-CD1 4.04Å; L255-I701 HydrophobicContact CD2-CG2 4.49Å; A294-I701 HydrophobicContact CB-CG2 4.32Å; A294-I701 WeakPolarHBondContact O-CG2 3.35Å; L298-I701 HydrophobicContact CD2-CD1 3.95Å; L298-I701 HydrophobicContact CD2-CG1 4.35Å; L298-I701 HydrophobicContact CD2-CG2 4Å; L298-I701 HydrophobicContact CG-CG2 4.05Å; L346-I701 HydrophobicContact CD1-CD1 3.7Å; L346-I701 HydrophobicContact CD1-CG1 3.79Å; Y590-I701 HydrophobicContact CD1-CD1 3.73Å; Y590-I701 HydrophobicContact CE1-CD1 3.85Å; D699-I701 VanDerWaalsContact C-N 3.26Å; D699-I701 PolarHBondContact O-N 3.4Å; D699-I701 WeakPolarHBondContact OD1-CB 3.3Å; D699-I701 PolarHBondContact OD1-N 3.05Å; I701-R703 VanDerWaalsContact C-N 3.34Å; I701-R703 PolarHBondContact O-N 3.24Å; I701-A704 PolarHBondContact O-N 2.83Å; I701-S705 PolarHBondContact O-N 3.39Å; I701-S705 VanDerWaalsContact O-N 3.07Å
702	S	98	Very high	96.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.7	-34.3	179.1	54.2	0	0	0	0	112.3	Y696 T698 D699 S705 M708	Y696-S702 WeakPolarHBondContact O-CB 3.3Å; T698-S702 PolarHBondContact N-OG 3.13Å; T698-S702 VanDerWaalsContact N-OG 3.09Å; D699-S702 PolarHBondContact N-OG 2.74Å; D699-S702 PolarHBondContact O-N 3.18Å; D699-S702 PolarHBondContact O-OG 3.21Å; D699-S702 WeakPolarHBondContact OD1-CB 3.38Å; D699-S702 PolarHBondContact OD1-N 3.33Å; D699-S702 PolarHBondContact OD1-OG 3.41Å; D699-S702 PolarHBondContact OD2-OG 3.49Å; S702-S705 WeakPolarHBondContact O-CB 3.4Å; S702-S705 PolarHBondContact O-N 2.86Å; S702-M708 WeakPolarHBondContact O-CB 3.33Å
703	R	97.9	Very high	96.5	Very high	70 Å²	70	34.3 Å²	34.3	26%	0.264	17%	0.171	S	C	.	.	H	α-helix	trans	-69.1	-35.2	172.8	-73.5	-171.9	-60.7	-102.3	7.8	113.4	D552 D575 M697 T698 D699 I701 S705	D552-R703 PolarHBondContact O-NH2 3.18Å; D575-R703 IonicContact OD2-CZ 3.48Å; D575-R703 IonicContact OD2-NE 3.65Å; D575-R703 PolarHBondContact OD2-NE 2.94Å; D575-R703 IonicContact OD2-NH2 3.63Å; D575-R703 PolarHBondContact OD2-NH2 3.31Å; M697-R703 HydrophobicContact CB-CG 3.96Å; M697-R703 HydrophobicContact CG-CG 4.35Å; T698-R703 VanDerWaalsContact C-NH1 3.28Å; T698-R703 PolarHBondContact O-NH1 3.43Å; D699-R703 WeakPolarHBondContact O-CB 3.39Å; D699-R703 VanDerWaalsContact O-CG 3.3Å; D699-R703 WeakPolarHBondContact O-CG 3.24Å; D699-R703 PolarHBondContact O-N 2.93Å; I701-R703 VanDerWaalsContact C-N 3.34Å; I701-R703 PolarHBondContact O-N 3.24Å; R703-S705 VanDerWaalsContact C-N 3.33Å
704	A	97.8	Very high	96.4	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-77.5	-16.3	175.9	0	0	0	0	0	113.7	R300 S700 I701	R300-A704 PolarHBondContact NH1-O 3.23Å; S700-A704 VanDerWaalsContact O-CB 3.3Å; S700-A704 WeakPolarHBondContact O-CB 3.29Å; S700-A704 PolarHBondContact O-N 2.92Å; S700-A704 VanDerWaalsContact O-N 3.15Å; I701-A704 PolarHBondContact O-N 2.83Å
705	S	98.1	Very high	96.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.			trans	-67	128.1	-179.4	170.1	0	0	0	0	112.5	D296 I701 S702 R703 T707 M708 A709	D296-S705 VanDerWaalsContact CG-OG 3.24Å; D296-S705 WeakPolarHBondContact OD1-CB 3.38Å; D296-S705 PolarHBondContact OD1-OG 3.2Å; D296-S705 PolarHBondContact OD2-OG 3.49Å; I701-S705 PolarHBondContact O-N 3.39Å; I701-S705 VanDerWaalsContact O-N 3.07Å; S702-S705 WeakPolarHBondContact O-CB 3.4Å; S702-S705 PolarHBondContact O-N 2.86Å; R703-S705 VanDerWaalsContact C-N 3.33Å; S705-T707 VanDerWaalsContact C-N 3.33Å; S705-T707 PolarHBondContact OG-N 2.89Å; S705-M708 WeakPolarHBondContact OG-CG 3.36Å; S705-M708 PolarHBondContact OG-N 3.43Å; S705-A709 PolarHBondContact O-N 3.24Å
706	Q	97	Very high	95.8	Very high	94 Å²	94	32.5 Å²	32.5	44%	0.439	17%	0.17	S	C	.	.	H	α-helix	trans	-70.5	-36.5	172.1	-70.6	-177	-16.6	0	0	110.9	D296 A709 K710	D296-Q706 PolarHBondContact OD2-N 2.88Å; D296-Q706 VanDerWaalsContact OD2-N 3.12Å; Q706-A709 PolarHBondContact O-N 3.19Å; Q706-K710 WeakPolarHBondContact O-CB 3.45Å; Q706-K710 WeakPolarHBondContact O-CG 3.32Å; Q706-K710 PolarHBondContact O-N 3.19Å
707	T	96.8	Very high	95.2	Very high	14 Å²	14	37.8 Å²	37.8	9%	0.086	20%	0.195	C	C	.	.	H	α-helix	trans	-64.4	-44.4	179.9	-56.3	0	0	0	0	110.8	L169 P236 F293 D296 S705 K710 C711	L169-T707 HydrophobicContact CD2-CG2 3.57Å; P236-T707 HydrophobicContact CB-CG2 4.4Å; P236-T707 HydrophobicContact CG-CG2 3.59Å; F293-T707 HydrophobicContact CB-CG2 3.83Å; F293-T707 HydrophobicContact CG-CG2 4.37Å; D296-T707 VanDerWaalsContact OD2-CB 3.31Å; D296-T707 WeakPolarHBondContact OD2-CB 3.32Å; D296-T707 PolarHBondContact OD2-N 3.34Å; D296-T707 PolarHBondContact OD2-OG1 3.42Å; S705-T707 VanDerWaalsContact C-N 3.33Å; S705-T707 PolarHBondContact OG-N 2.89Å; T707-K710 WeakPolarHBondContact O-CB 3.35Å; T707-K710 PolarHBondContact O-N 3.18Å; T707-C711 PolarHBondContact O-N 3.39Å; T707-C711 PolarHBondContact O-SG 3.41Å
708	M	97.4	Very high	94.2	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-42.1	174.5	-63.8	-58.7	92.4	0	0	111.6	K290 F293 Y696 M697 S702 S705 K710 C711 V712	K290-M708 HydrophobicContact CB-SD 4.49Å; K290-M708 HydrophobicContact CG-SD 4.35Å; F293-M708 HydrophobicContact CB-CE 3.61Å; Y696-M708 HydrophobicContact CD1-CE 4.26Å; Y696-M708 HydrophobicContact CD1-SD 3.67Å; Y696-M708 HydrophobicContact CG-SD 4.35Å; Y696-M708 WeakPolarHBondContact O-CB 3.09Å; Y696-M708 WeakPolarHBondContact O-CG 3.23Å; M697-M708 HydrophobicContact CG-CB 4.5Å; S702-M708 WeakPolarHBondContact O-CB 3.33Å; S705-M708 WeakPolarHBondContact OG-CG 3.36Å; S705-M708 PolarHBondContact OG-N 3.43Å; M708-K710 VanDerWaalsContact C-N 3.34Å; M708-K710 PolarHBondContact O-N 3.27Å; M708-C711 WeakPolarHBondContact O-CB 3.46Å; M708-C711 PolarHBondContact O-N 2.96Å; M708-C711 VanDerWaalsContact O-N 3.12Å; M708-V712 WeakPolarHBondContact O-CG2 3.4Å; M708-V712 PolarHBondContact O-N 3.08Å
709	A	96	Very high	92.6	Very high	44 Å²	44	35 Å²	35	36%	0.364	19%	0.191	S	C	.	.	H	α-helix	trans	-60.7	-42.4	174.7	0	0	0	0	0	112.6	M697 S705 Q706 C711 V712 K713	M697-A709 HydrophobicContact CE-CB 3.58Å; S705-A709 PolarHBondContact O-N 3.24Å; Q706-A709 PolarHBondContact O-N 3.19Å; A709-C711 VanDerWaalsContact C-N 3.33Å; A709-C711 PolarHBondContact O-N 2.9Å; A709-V712 PolarHBondContact O-N 2.73Å; A709-K713 WeakPolarHBondContact O-CB 3.36Å; A709-K713 PolarHBondContact O-N 3.03Å
710	K	94.9	Very high	91	Very high	73 Å²	73	40.6 Å²	40.6	32%	0.317	22%	0.216	S	C	.	.	H	α-helix	trans	-61	-40.8	172.9	-79	-178	-178.2	-175	0	111.3	Q706 T707 M708 K713 A714 V722 E724	Q706-K710 WeakPolarHBondContact O-CB 3.45Å; Q706-K710 WeakPolarHBondContact O-CG 3.32Å; Q706-K710 PolarHBondContact O-N 3.19Å; T707-K710 WeakPolarHBondContact O-CB 3.35Å; T707-K710 PolarHBondContact O-N 3.18Å; M708-K710 VanDerWaalsContact C-N 3.34Å; M708-K710 PolarHBondContact O-N 3.27Å; K710-K713 PolarHBondContact O-N 3.11Å; K710-A714 VanDerWaalsContact O-CB 3.26Å; K710-A714 WeakPolarHBondContact O-CB 3.49Å; K710-A714 PolarHBondContact O-N 2.87Å; K710-V722 HydrophobicContact CB-CG1 3.67Å; K710-V722 HydrophobicContact CD-CG1 3.99Å; K710-V722 HydrophobicContact CG-CG1 3.66Å; K710-E724 IonicContact NZ-OE1 2.8Å; K710-E724 PolarHBondContact NZ-OE1 2.89Å
711	C	94.9	Very high	89.3	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-47.6	175.6	-66	0	0	0	0	111.9	L169 Y696 T707 M708 A709 K713 A714 V715	L169-C711 WeakPolarHBondContact CD2-SG 3.33Å; Y696-C711 HydrophobicContact CD1-CB 3.88Å; Y696-C711 HydrophobicContact CD2-CB 3.84Å; Y696-C711 HydrophobicContact CE1-CB 3.89Å; Y696-C711 HydrophobicContact CE2-CB 3.85Å; Y696-C711 HydrophobicContact CG-CB 3.86Å; T707-C711 PolarHBondContact O-N 3.39Å; T707-C711 PolarHBondContact O-SG 3.41Å; M708-C711 WeakPolarHBondContact O-CB 3.46Å; M708-C711 PolarHBondContact O-N 2.96Å; M708-C711 VanDerWaalsContact O-N 3.12Å; A709-C711 VanDerWaalsContact C-N 3.33Å; A709-C711 PolarHBondContact O-N 2.9Å; C711-K713 VanDerWaalsContact C-N 3.31Å; C711-K713 PolarHBondContact O-N 2.94Å; C711-A714 WeakPolarHBondContact O-CB 3.27Å; C711-A714 PolarHBondContact O-N 2.88Å; C711-V715 WeakPolarHBondContact O-CG2 3.39Å; C711-V715 PolarHBondContact O-N 3.41Å
712	V	95.2	Very high	87.6	Confident	27 Å²	27	42.9 Å²	42.9	16%	0.164	23%	0.233	C	C	.	.	H	α-helix	trans	-57.5	-45.6	175.7	173	0	0	0	0	110.7	K693 Y696 M697 M708 A709 V715 V716	K693-V712 HydrophobicContact CG-CG1 4Å; Y696-V712 HydrophobicContact CD2-CG2 4.36Å; M697-V712 HydrophobicContact CE-CG2 4.44Å; M697-V712 HydrophobicContact CG-CG2 4.24Å; M697-V712 HydrophobicContact SD-CG2 4.21Å; M708-V712 WeakPolarHBondContact O-CG2 3.4Å; M708-V712 PolarHBondContact O-N 3.08Å; A709-V712 PolarHBondContact O-N 2.73Å; V712-V715 PolarHBondContact O-N 3.29Å; V712-V716 VanDerWaalsContact O-CG2 3.32Å; V712-V716 WeakPolarHBondContact O-CG2 3.26Å; V712-V716 PolarHBondContact O-N 2.92Å; V712-V716 VanDerWaalsContact O-N 3.17Å
713	K	93.8	Very high	85.9	Confident	91 Å²	91	48.5 Å²	48.5	40%	0.396	26%	0.259	S	S	.	.	H	α-helix	trans	-61.6	-46.7	176.4	-168.2	-175.6	-179.9	-162.9	0	111.7	A709 K710 C711 V715 V716 E717 A721 V722	A709-K713 WeakPolarHBondContact O-CB 3.36Å; A709-K713 PolarHBondContact O-N 3.03Å; K710-K713 PolarHBondContact O-N 3.11Å; C711-K713 VanDerWaalsContact C-N 3.31Å; C711-K713 PolarHBondContact O-N 2.94Å; K713-V715 VanDerWaalsContact C-N 3.31Å; K713-V715 PolarHBondContact O-N 2.9Å; K713-V716 PolarHBondContact O-N 2.98Å; K713-E717 WeakPolarHBondContact CE-OE2 3.23Å; K713-E717 HydrophobicContact CG-CG 4.44Å; K713-E717 IonicContact NZ-OE2 3.81Å; K713-E717 WeakPolarHBondContact O-CB 3.2Å; K713-E717 PolarHBondContact O-N 3.06Å; K713-A721 WeakPolarHBondContact CE-O 3.39Å; K713-A721 PolarHBondContact NZ-O 3.47Å; K713-V722 HydrophobicContact CB-CG2 4.32Å; K713-V722 HydrophobicContact CD-CG2 4.41Å; K713-V722 HydrophobicContact CG-CG2 4.38Å
714	A	90.9	Very high	83.9	Confident	2 Å²	2	51.6 Å²	51.6	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-58.2	-39.9	177.5	0	0	0	0	0	113	P168 M214 K710 C711 G718 V722	P168-A714 HydrophobicContact CG-CB 3.77Å; M214-A714 HydrophobicContact CE-CB 3.5Å; M214-A714 HydrophobicContact SD-CB 3.92Å; K710-A714 VanDerWaalsContact O-CB 3.26Å; K710-A714 WeakPolarHBondContact O-CB 3.49Å; K710-A714 PolarHBondContact O-N 2.87Å; C711-A714 WeakPolarHBondContact O-CB 3.27Å; C711-A714 PolarHBondContact O-N 2.88Å; A714-G718 CarbonylContact O-C 3.54Å; A714-G718 WeakPolarHBondContact O-CA 3.46Å; A714-G718 PolarHBondContact O-N 3.46Å; A714-V722 HydrophobicContact CB-CG2 3.65Å
715	V	90.1	Very high	81.1	Confident	32 Å²	32	57 Å²	57	19%	0.194	31%	0.312	C	S	.	.	H	α-helix	trans	-67.5	-37.9	178	167.7	0	0	0	0	111.7	M216 I692 K693 Y696 C711 V712 K713	M216-V715 HydrophobicContact CE-CB 3.91Å; M216-V715 HydrophobicContact CE-CG1 3.73Å; M216-V715 HydrophobicContact CE-CG2 3.68Å; M216-V715 HydrophobicContact SD-CB 4.34Å; M216-V715 HydrophobicContact SD-CG2 3.62Å; I692-V715 HydrophobicContact CG2-CG1 3.65Å; I692-V715 HydrophobicContact CG2-CG2 4.03Å; K693-V715 HydrophobicContact CB-CG1 3.97Å; Y696-V715 HydrophobicContact CD2-CG2 4.46Å; Y696-V715 HydrophobicContact CE2-CG2 3.81Å; C711-V715 WeakPolarHBondContact O-CG2 3.39Å; C711-V715 PolarHBondContact O-N 3.41Å; V712-V715 PolarHBondContact O-N 3.29Å; K713-V715 VanDerWaalsContact C-N 3.31Å; K713-V715 PolarHBondContact O-N 2.9Å
716	V	88.5	Confident	78.2	Confident	85 Å²	85	61.7 Å²	61.7	52%	0.515	35%	0.345	S	S	.	.	H	α-helix	trans	-83.7	-42.1	-175.8	175.3	0	0	0	0	112.1	K693 V712 K713	K693-V716 HydrophobicContact CD-CG2 3.75Å; K693-V716 HydrophobicContact CG-CG2 4.07Å; V712-V716 VanDerWaalsContact O-CG2 3.32Å; V712-V716 WeakPolarHBondContact O-CG2 3.26Å; V712-V716 PolarHBondContact O-N 2.92Å; V712-V716 VanDerWaalsContact O-N 3.17Å; K713-V716 PolarHBondContact O-N 2.98Å
717	E	84.7	Confident	75.2	Confident	119 Å²	119	65.3 Å²	65.3	56%	0.556	37%	0.365	S	S	*	.	H	α-helix	trans	-109.1	-8.5	-169.2	-60.5	174.3	-157.7	0	0	113.3	K713 A721	K713-E717 WeakPolarHBondContact CE-OE2 3.23Å; K713-E717 HydrophobicContact CG-CG 4.44Å; K713-E717 IonicContact NZ-OE2 3.81Å; K713-E717 WeakPolarHBondContact O-CB 3.2Å; K713-E717 PolarHBondContact O-N 3.06Å; E717-A721 HydrophobicContact CB-CB 3.46Å; E717-A721 VanDerWaalsContact CB-CB 3.46Å
718	G	75.6	Confident	71.9	Confident	32 Å²	32	73.3 Å²	73.3	33%	0.33	42%	0.42	S	S	.	.			trans	92.4	168.3	-176.2	0	0	0	0	0	114.1	A714 Q720 A721	A714-G718 CarbonylContact O-C 3.54Å; A714-G718 WeakPolarHBondContact O-CA 3.46Å; A714-G718 PolarHBondContact O-N 3.46Å; G718-Q720 VanDerWaalsContact C-N 3.32Å; G718-Q720 PolarHBondContact O-N 3.3Å; G718-A721 WeakPolarHBondContact O-CB 3.4Å; G718-A721 PolarHBondContact O-N 3.22Å
719	A	64.3	Low	70.7	Confident	23 Å²	23	77 Å²	77	19%	0.19	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-62.3	-36	-173	0	0	0	0	0	114	M214 A721 V722	M214-A719 HydrophobicContact CE-CB 3.39Å; A719-A721 PolarHBondContact O-N 3.14Å; A719-V722 PolarHBondContact O-N 2.68Å
720	Q	63.5	Low	69.3	Low	134 Å²	134	78.7 Å²	78.7	63%	0.626	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-66.3	-25.4	-178.3	-66.7	177.7	-4.7	0	0	112.3	E212 G718 V722 E723	E212-Q720 PolarHBondContact OE2-NE2 3.43Å; G718-Q720 VanDerWaalsContact C-N 3.32Å; G718-Q720 PolarHBondContact O-N 3.3Å; Q720-V722 PolarHBondContact O-N 3Å; Q720-V722 VanDerWaalsContact O-N 3.11Å; Q720-E723 PolarHBondContact O-N 3.49Å
721	A	62.3	Low	67.9	Low	30 Å²	30	79 Å²	79	25%	0.248	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-69.4	-9.4	-179.5	0	0	0	0	0	114	K713 E717 G718 A719	K713-A721 WeakPolarHBondContact CE-O 3.39Å; K713-A721 PolarHBondContact NZ-O 3.47Å; E717-A721 HydrophobicContact CB-CB 3.46Å; E717-A721 VanDerWaalsContact CB-CB 3.46Å; G718-A721 WeakPolarHBondContact O-CB 3.4Å; G718-A721 PolarHBondContact O-N 3.22Å; A719-A721 PolarHBondContact O-N 3.14Å
722	V	62.8	Low	66.3	Low	27 Å²	27	83.5 Å²	83.5	16%	0.164	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-123.3	7.1	-175.4	-155.6	0	0	0	0	111.8	P168 K710 K713 A714 A719 Q720 E724	P168-V722 HydrophobicContact CB-CG1 4.43Å; K710-V722 HydrophobicContact CB-CG1 3.67Å; K710-V722 HydrophobicContact CD-CG1 3.99Å; K710-V722 HydrophobicContact CG-CG1 3.66Å; K713-V722 HydrophobicContact CB-CG2 4.32Å; K713-V722 HydrophobicContact CD-CG2 4.41Å; K713-V722 HydrophobicContact CG-CG2 4.38Å; A714-V722 HydrophobicContact CB-CG2 3.65Å; A719-V722 PolarHBondContact O-N 2.68Å; Q720-V722 PolarHBondContact O-N 3Å; Q720-V722 VanDerWaalsContact O-N 3.11Å; V722-E724 PolarHBondContact O-N 3Å
723	E	62.3	Low	64.5	Low	117 Å²	117	87.1 Å²	87.1	55%	0.547	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-66.2	117.6	171.3	-73.4	-174.1	170.9	0	0	109.2	N165 Q720	N165-E723 PolarHBondContact ND2-OE1 2.87Å; Q720-E723 PolarHBondContact O-N 3.49Å
724	E	54	Low	62.6	Low	135 Å²	135	86.8 Å²	86.8	63%	0.631	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-68.2	137.1	163.9	-74.6	176	-175.4	0	0	107.3	K710 V722 S726	K710-E724 IonicContact NZ-OE1 2.8Å; K710-E724 PolarHBondContact NZ-OE1 2.89Å; V722-E724 PolarHBondContact O-N 3Å; E724-S726 PolarHBondContact O-N 2.65Å; E724-S726 VanDerWaalsContact O-N 3.09Å
725	P	40.5	Very low	60.5	Low	115 Å²	115	92.9 Å²	92.9	75%	0.747	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-53.3	125.9	176.7	21.2	-30.4	0	0	0	107.7	I727	P725-I727 PolarHBondContact O-N 3.32Å
726	S	37.7	Very low	58.3	Low	99 Å²	99	97.5 Å²	97.5	69%	0.692	57%	0.565	S	S	*	*			trans	-50.5	110.2	175.7	51.5	0	0	0	0	107.6	E724 C728	E724-S726 PolarHBondContact O-N 2.65Å; E724-S726 VanDerWaalsContact O-N 3.09Å; S726-C728 PolarHBondContact O-N 3.12Å
727	I	32.5	Very low	55.8	Low	171 Å²	171	98.6 Å²	98.6	88%	0.877	57%	0.569	S	S	*	*			trans	-66.8	96.5	167.9	-58.2	174.6	0	0	0	104.2	P725	P725-I727 PolarHBondContact O-N 3.32Å
728	C	28.8	Very low	53.1	Low	181 Å²	181	96.7 Å²	96.7	100%	1.223	57%	0.57	S	S	*	*			trans	-63.1	0	172.9	-75.5	0	0	0	0	111.1	S726	S726-C728 PolarHBondContact O-N 3.12Å

Retrieved 728 of 728 residues in 5545.3 ms (Link to these results)

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