A0A096M9I4_POEFO Loading...

Ethanolamine-phosphate phospho-lyase

Catalyzes the pyridoxal-phosphate-dependent breakdown of phosphoethanolamine, converting it to ammonia, inorganic phosphate and acetaldehyde.

AlphaFold DB , UniProt , Accession A0A096M9I4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 507 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	40.8	Very low	38	Very low	237 Å²	237	135.7 Å²	135.7	100%	1.167	83%	0.83	S	S	*	*				0	84.4	0	-59.6	-174.6	-150.2	0	0	105.9
2	L	33.7	Very low	38.2	Very low	175 Å²	175	140.9 Å²	140.9	92%	0.916	83%	0.833	S	S	*	*				41.2	125.5	82.1	-69.1	171.1	0	0	0	111.9
3	A	35.5	Very low	38.2	Very low	78 Å²	78	140.2 Å²	140.2	65%	0.645	82%	0.822	S	S	*	*			cis	-166.5	128.1	-16.8	0	0	0	0	0	103.3	T5	A3-T5 PolarHBondContact O-N 3.03Å
4	G	33.8	Very low	38.4	Very low	85 Å²	85	141.8 Å²	141.8	88%	0.876	82%	0.824	S	S	*	*			trans	-74.6	114.4	169.8	0	0	0	0	0	108.4	D6	G4-D6 PolarHBondContact O-N 3.45Å
5	T	38.7	Very low	38.7	Very low	135 Å²	135	142.1 Å²	142.1	83%	0.828	81%	0.814	S	S	*	*			trans	-84.2	107.8	175.1	39.8	0	0	0	0	109.5	A3 G7	A3-T5 PolarHBondContact O-N 3.03Å; T5-G7 PolarHBondContact O-N 3.41Å; T5-G7 VanDerWaalsContact O-N 3.07Å
6	D	37.5	Very low	38.6	Very low	162 Å²	162	141.9 Å²	141.9	87%	0.866	81%	0.81	S	S	*	*			trans	-50.2	107.3	160.5	-93.8	-38.8	0	0	0	109.8	G4 A8	G4-D6 PolarHBondContact O-N 3.45Å; D6-A8 PolarHBondContact O-N 3.32Å
7	G	36	Very low	38.9	Very low	71 Å²	71	147.1 Å²	147.1	73%	0.732	81%	0.813	S	S	*	*			trans	-72.4	81.2	164.9	0	0	0	0	0	109.3	T5 R9	T5-G7 PolarHBondContact O-N 3.41Å; T5-G7 VanDerWaalsContact O-N 3.07Å; G7-R9 PolarHBondContact O-N 3.23Å
8	A	41.5	Very low	38.8	Very low	94 Å²	94	148.5 Å²	148.5	78%	0.777	81%	0.81	S	S	*	*			trans	-55.1	109.4	170.3	0	0	0	0	0	109.3	D6	D6-A8 PolarHBondContact O-N 3.32Å
9	R	38.3	Very low	38.9	Very low	218 Å²	218	150.2 Å²	150.2	82%	0.823	81%	0.814	S	S	*	*			trans	-54.4	141.8	165.5	-62.3	176	-173	176.5	1.7	107.9	G7 V11	G7-R9 PolarHBondContact O-N 3.23Å; R9-V11 PolarHBondContact O-N 2.9Å
10	P	41.9	Very low	39	Very low	125 Å²	125	146.6 Å²	146.6	81%	0.812	80%	0.8	S	S	*	*			trans	-63.1	106.1	170.4	9.1	-1.2	0	0	0	107.3	F12	P10-F12 PolarHBondContact O-N 3.46Å; P10-F12 VanDerWaalsContact O-N 3.12Å
11	V	40.4	Very low	39.4	Very low	113 Å²	113	148.1 Å²	148.1	69%	0.685	81%	0.807	S	S	*	*			trans	-60.2	113.6	172	178.1	0	0	0	0	105.7	R9 L13	R9-V11 PolarHBondContact O-N 2.9Å; V11-L13 HydrophobicContact CG1-CD2 4.47Å; V11-L13 HydrophobicContact CG1-CG 4.07Å; V11-L13 PolarHBondContact O-N 3.3Å
12	F	40.3	Very low	40.3	Very low	198 Å²	198	143.4 Å²	143.4	87%	0.868	79%	0.787	S	S	*	*			trans	-58.1	89.2	153.2	-83.2	-88.4	0	0	0	105.7	P10 L14	P10-F12 PolarHBondContact O-N 3.46Å; P10-F12 VanDerWaalsContact O-N 3.12Å; F12-L14 PolarHBondContact O-N 3.1Å
13	L	38.8	Very low	42.4	Very low	131 Å²	131	137.9 Å²	137.9	69%	0.686	77%	0.772	S	S	*	*			trans	-64.2	90	163.1	-85.5	161.3	0	0	0	104.6	V11 H15	V11-L13 HydrophobicContact CG1-CD2 4.47Å; V11-L13 HydrophobicContact CG1-CG 4.07Å; V11-L13 PolarHBondContact O-N 3.3Å; L13-H15 PolarHBondContact O-N 3.06Å
14	L	40.2	Very low	45.1	Very low	163 Å²	163	138 Å²	138	85%	0.853	76%	0.761	S	S	*	*			trans	-55.6	83	153.7	-75.2	162.4	0	0	0	105.1	F12 D16	F12-L14 PolarHBondContact O-N 3.1Å; L14-D16 VanDerWaalsContact C-N 3.33Å; L14-D16 PolarHBondContact O-N 3.17Å
15	H	43.7	Very low	48	Very low	146 Å²	146	141.1 Å²	141.1	68%	0.676	75%	0.753	S	S	*	*			trans	-55.8	114.3	155.9	-83.2	65.7	0	0	0	103.4	L13 R17	L13-H15 PolarHBondContact O-N 3.06Å; H15-R17 PolarHBondContact O-N 2.91Å
16	D	36.7	Very low	50.6	Low	140 Å²	140	137.4 Å²	137.4	75%	0.749	73%	0.725	S	S	*	*			trans	-51.9	90	170.5	-152.4	7.8	0	0	0	106	L14 K18	L14-D16 VanDerWaalsContact C-N 3.33Å; L14-D16 PolarHBondContact O-N 3.17Å; D16-K18 PolarHBondContact O-N 3.29Å
17	R	43.6	Very low	53.3	Low	230 Å²	230	136.9 Å²	136.9	87%	0.868	72%	0.715	S	S	*	*			trans	-74.4	62.8	176	-80.6	-167.1	-172	-165.7	4.4	106.3	H15 M19	H15-R17 PolarHBondContact O-N 2.91Å; R17-M19 VanDerWaalsContact C-N 3.27Å; R17-M19 PolarHBondContact O-N 2.89Å
18	K	36.8	Very low	56.2	Low	172 Å²	172	139 Å²	139	75%	0.748	70%	0.704	S	S	*	*			trans	-54	111.7	137.5	-79.8	-179	176.8	175.2	0	103.8	D16 S20	D16-K18 PolarHBondContact O-N 3.29Å; K18-S20 PolarHBondContact O-N 2.88Å
19	M	40.5	Very low	58.8	Low	180 Å²	180	136.9 Å²	136.9	89%	0.887	68%	0.682	S	S	*	*			trans	-56.7	83.9	165	-79.1	169.4	59.5	0	0	106.1	R17 L21	R17-M19 VanDerWaalsContact C-N 3.27Å; R17-M19 PolarHBondContact O-N 2.89Å; M19-L21 PolarHBondContact O-N 2.89Å; M19-L21 VanDerWaalsContact O-N 3.16Å
20	S	41.7	Very low	61.5	Low	78 Å²	78	128.8 Å²	128.8	55%	0.545	65%	0.654	S	S	.	*			trans	-60.6	122.2	168	59	0	0	0	0	104.8	K18 D22	K18-S20 PolarHBondContact O-N 2.88Å; S20-D22 CarbonylContact O-C 3.37Å; S20-D22 PolarHBondContact O-N 3.37Å; S20-D22 PolarHBondContact OG-O 3.39Å
21	L	48.1	Very low	64	Low	180 Å²	180	126.7 Å²	126.7	94%	0.942	64%	0.636	S	S	*	*	S	Bend	trans	-54.1	-21.3	169.5	-75.8	156.3	0	0	0	110.7	M19 G23	M19-L21 PolarHBondContact O-N 2.89Å; M19-L21 VanDerWaalsContact O-N 3.16Å; L21-G23 PolarHBondContact O-N 3.39Å
22	D	59.3	Low	66.7	Low	138 Å²	138	124.3 Å²	124.3	74%	0.738	62%	0.619	S	S	*	*	S	Bend	trans	-79	92.1	170	-55.4	-27.4	0	0	0	110	S20	S20-D22 CarbonylContact O-C 3.37Å; S20-D22 PolarHBondContact O-N 3.37Å; S20-D22 PolarHBondContact OG-O 3.39Å
23	G	78.1	Confident	69.3	Low	58 Å²	58	119.3 Å²	119.3	60%	0.598	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-67.2	172.7	170.6	0	0	0	0	0	112.8	L21	L21-G23 PolarHBondContact O-N 3.39Å
24	L	91.4	Very high	72	Confident	82 Å²	82	120.2 Å²	120.2	43%	0.429	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-57.4	142.7	176.1	-62.4	173.5	0	0	0	112.1	K28 T29 L32 K51	L24-K28 HydrophobicContact CD2-CD 4.03Å; L24-T29 PolarHBondContact O-OG1 3.35Å; L24-L32 HydrophobicContact CD1-CD1 3.69Å; L24-K51 WeakPolarHBondContact O-CE 3.45Å; L24-K51 PolarHBondContact O-NZ 2.98Å
25	E	93.6	Very high	74.7	Confident	150 Å²	150	120.2 Å²	120.2	70%	0.701	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-55	151.7	169.1	-67.2	-179.3	178.7	0	0	112.2	K27 K28 T29	E25-K27 PolarHBondContact O-N 3.12Å; E25-K28 PolarHBondContact O-N 3.15Å; E25-T29 PolarHBondContact O-N 3.23Å; E25-T29 PolarHBondContact O-OG1 3.32Å
26	K	94.1	Very high	77.3	Confident	56 Å²	56	119 Å²	119	24%	0.243	58%	0.583	C	S	.	*	H	α-helix	trans	-54.4	-48.2	-179.7	-178.6	-179.7	175.8	178.5	0	112.6	T29 I30 D48 P49 K51	K26-T29 WeakPolarHBondContact O-CB 3.43Å; K26-T29 PolarHBondContact O-N 3.34Å; K26-I30 HydrophobicContact CG-CD1 4.2Å; K26-I30 WeakPolarHBondContact O-CG1 3.49Å; K26-I30 PolarHBondContact O-N 2.61Å; K26-D48 IonicContact NZ-OD1 3.21Å; K26-D48 PolarHBondContact NZ-OD1 3.42Å; K26-P49 WeakPolarHBondContact CE-O 3.37Å; K26-P49 PolarHBondContact NZ-O 3.37Å; K26-K51 HydrophobicContact CB-CD 4.22Å; K26-K51 HydrophobicContact CG-CB 4.32Å
27	K	94.9	Very high	80.1	Confident	151 Å²	151	116 Å²	116	66%	0.657	57%	0.566	S	S	*	*	H	α-helix	trans	-58.9	-51.4	179.1	-174.7	179	179.2	-178.8	0	111.7	E25 T29 I30 D31	E25-K27 PolarHBondContact O-N 3.12Å; K27-T29 PolarHBondContact O-N 3.3Å; K27-I30 WeakPolarHBondContact O-CB 3.44Å; K27-I30 PolarHBondContact O-N 2.77Å; K27-D31 PolarHBondContact O-N 3.2Å
28	K	96.2	Very high	82.6	Confident	116 Å²	116	107 Å²	107	50%	0.504	54%	0.544	S	S	.	.	H	α-helix	trans	-60	-35	177.2	-173	170	179.8	179.7	0	112.6	L24 E25 L32	L24-K28 HydrophobicContact CD2-CD 4.03Å; E25-K28 PolarHBondContact O-N 3.15Å; K28-L32 HydrophobicContact CG-CD1 4.24Å; K28-L32 WeakPolarHBondContact O-CB 3.43Å; K28-L32 WeakPolarHBondContact O-CG 3.45Å; K28-L32 PolarHBondContact O-N 3.49Å
29	T	95.8	Very high	85.3	Confident	49 Å²	49	104.3 Å²	104.3	30%	0.301	55%	0.545	S	S	.	.	H	α-helix	trans	-64.1	-41.9	174.5	-53.4	0	0	0	0	111.4	L24 E25 K26 K27 R33 K51	L24-T29 PolarHBondContact O-OG1 3.35Å; E25-T29 PolarHBondContact O-N 3.23Å; E25-T29 PolarHBondContact O-OG1 3.32Å; K26-T29 WeakPolarHBondContact O-CB 3.43Å; K26-T29 PolarHBondContact O-N 3.34Å; K27-T29 PolarHBondContact O-N 3.3Å; T29-R33 WeakPolarHBondContact O-CB 3.36Å; T29-R33 PolarHBondContact O-N 3.43Å; T29-K51 PolarHBondContact OG1-NZ 2.81Å
30	I	94.8	Very high	87.7	Confident	49 Å²	49	100.7 Å²	100.7	25%	0.251	54%	0.537	S	S	.	.	H	α-helix	trans	-65.4	-47.6	176.7	-67.6	166.8	0	0	0	110.5	K26 K27 L32 R33 Q34 P49	K26-I30 HydrophobicContact CG-CD1 4.2Å; K26-I30 WeakPolarHBondContact O-CG1 3.49Å; K26-I30 PolarHBondContact O-N 2.61Å; K27-I30 WeakPolarHBondContact O-CB 3.44Å; K27-I30 PolarHBondContact O-N 2.77Å; I30-L32 VanDerWaalsContact C-N 3.35Å; I30-L32 PolarHBondContact O-N 3.2Å; I30-R33 WeakPolarHBondContact O-CB 3.28Å; I30-R33 PolarHBondContact O-N 2.75Å; I30-R33 VanDerWaalsContact O-N 3.1Å; I30-Q34 HydrophobicContact CG2-CG 4.46Å; I30-Q34 WeakPolarHBondContact O-CG 3.26Å; I30-Q34 PolarHBondContact O-N 3.23Å; I30-P49 HydrophobicContact CD1-CG 4.32Å
31	D	96	Very high	90.1	Very high	80 Å²	80	100.1 Å²	100.1	43%	0.428	53%	0.532	S	S	.	.	H	α-helix	trans	-59.7	-45.6	-179.4	-62.1	-19.6	0	0	0	111.3	K27 R33 Q34 K35	K27-D31 PolarHBondContact O-N 3.2Å; D31-R33 VanDerWaalsContact C-N 3.34Å; D31-R33 PolarHBondContact O-N 3.41Å; D31-Q34 PolarHBondContact O-N 2.84Å; D31-K35 WeakPolarHBondContact O-CB 3.26Å; D31-K35 PolarHBondContact O-N 3.04Å
32	L	96.5	Very high	92.2	Very high	64 Å²	64	99.8 Å²	99.8	34%	0.335	52%	0.523	S	S	.	.	H	α-helix	trans	-65.8	-36.3	176.1	-71.8	172.7	0	0	0	112	L24 K28 I30 K35 H36	L24-L32 HydrophobicContact CD1-CD1 3.69Å; K28-L32 HydrophobicContact CG-CD1 4.24Å; K28-L32 WeakPolarHBondContact O-CB 3.43Å; K28-L32 WeakPolarHBondContact O-CG 3.45Å; K28-L32 PolarHBondContact O-N 3.49Å; I30-L32 VanDerWaalsContact C-N 3.35Å; I30-L32 PolarHBondContact O-N 3.2Å; L32-K35 PolarHBondContact O-N 2.99Å; L32-H36 VanDerWaalsContact O-CB 3.29Å; L32-H36 WeakPolarHBondContact O-CB 3.39Å; L32-H36 PolarHBondContact O-CD2 3.03Å; L32-H36 VanDerWaalsContact O-CD2 3.26Å; L32-H36 PolarHBondContact O-N 3.14Å
33	R	95.2	Very high	93.7	Very high	92 Å²	92	96.3 Å²	96.3	35%	0.347	50%	0.504	S	S	.	.	H	α-helix	trans	-63.2	-46.5	174.8	-174.6	-178.5	-179.2	88	-1.8	111	T29 I30 D31 K35 H36 I37 C41 I43	T29-R33 WeakPolarHBondContact O-CB 3.36Å; T29-R33 PolarHBondContact O-N 3.43Å; I30-R33 WeakPolarHBondContact O-CB 3.28Å; I30-R33 PolarHBondContact O-N 2.75Å; I30-R33 VanDerWaalsContact O-N 3.1Å; D31-R33 VanDerWaalsContact C-N 3.34Å; D31-R33 PolarHBondContact O-N 3.41Å; R33-K35 PolarHBondContact O-N 2.66Å; R33-H36 PolarHBondContact O-N 3.48Å; R33-I37 HydrophobicContact CG-CB 3.88Å; R33-I37 HydrophobicContact CG-CG1 3.9Å; R33-I37 HydrophobicContact CG-CG2 4.49Å; R33-I37 WeakPolarHBondContact O-CB 3.44Å; R33-I37 PolarHBondContact O-N 3.22Å; R33-C41 PolarHBondContact NH2-O 3.17Å; R33-I43 VanDerWaalsContact CZ-CG2 3.42Å
34	Q	94.6	Very high	94.3	Very high	150 Å²	150	99.4 Å²	99.4	70%	0.701	50%	0.501	S	S	*	.	H	α-helix	trans	-61.2	-35.4	177.6	-71.2	176.1	-6.5	0	0	111.9	I30 D31	I30-Q34 HydrophobicContact CG2-CG 4.46Å; I30-Q34 WeakPolarHBondContact O-CG 3.26Å; I30-Q34 PolarHBondContact O-N 3.23Å; D31-Q34 PolarHBondContact O-N 2.84Å
35	K	97.5	Very high	94.3	Very high	163 Å²	163	96.4 Å²	96.4	71%	0.709	49%	0.485	S	S	*	.	H	α-helix	trans	-76	-37.4	178.3	-173.8	174.6	178	179.9	0	113.8	D31 L32 R33	D31-K35 WeakPolarHBondContact O-CB 3.26Å; D31-K35 PolarHBondContact O-N 3.04Å; L32-K35 PolarHBondContact O-N 2.99Å; R33-K35 PolarHBondContact O-N 2.66Å
36	H	97.6	Very high	94	Very high	122 Å²	122	92.9 Å²	92.9	57%	0.565	48%	0.476	S	S	*	.	H	α-helix	trans	-116.9	-14.8	-164.2	-63.3	-61.1	0	0	0	115.5	L32 R33	L32-H36 VanDerWaalsContact O-CB 3.29Å; L32-H36 WeakPolarHBondContact O-CB 3.39Å; L32-H36 PolarHBondContact O-CD2 3.03Å; L32-H36 VanDerWaalsContact O-CD2 3.26Å; L32-H36 PolarHBondContact O-N 3.14Å; R33-H36 PolarHBondContact O-N 3.48Å
37	I	96.8	Very high	93.7	Very high	77 Å²	77	98.1 Å²	98.1	40%	0.395	50%	0.502	S	S	.	.	S	Bend	trans	-112.3	136.3	-177.7	-54.6	-59.5	0	0	0	109.7	R33 C41	R33-I37 HydrophobicContact CG-CB 3.88Å; R33-I37 HydrophobicContact CG-CG1 3.9Å; R33-I37 HydrophobicContact CG-CG2 4.49Å; R33-I37 WeakPolarHBondContact O-CB 3.44Å; R33-I37 PolarHBondContact O-N 3.22Å; I37-C41 HydrophobicContact CG2-CB 3.8Å
38	G	96.3	Very high	93.5	Very high	39 Å²	39	94.8 Å²	94.8	40%	0.402	49%	0.491	S	S	.	.			trans	-53.6	137.2	-179.8	0	0	0	0	0	112.7	S40 C41	G38-S40 PolarHBondContact O-N 3.04Å; G38-S40 VanDerWaalsContact O-N 3.13Å; G38-C41 WeakPolarHBondContact O-CB 3.34Å; G38-C41 PolarHBondContact O-N 3.14Å
39	P	93	Very high	93.3	Very high	117 Å²	117	90.1 Å²	90.1	76%	0.76	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-13.2	-173.8	26.9	-35.6	0	0	0	114.4	C41 K42	P39-C41 VanDerWaalsContact C-N 3.32Å; P39-K42 PolarHBondContact O-NZ 2.89Å
40	S	91.4	Very high	93.2	Very high	103 Å²	103	89.6 Å²	89.6	72%	0.72	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.7	171.3	53.7	0	0	0	0	112.8	G38 K42	G38-S40 PolarHBondContact O-N 3.04Å; G38-S40 VanDerWaalsContact O-N 3.13Å; S40-K42 VanDerWaalsContact C-N 3.33Å; S40-K42 PolarHBondContact O-N 2.83Å
41	C	92	Very high	93.3	Very high	67 Å²	67	89.1 Å²	89.1	45%	0.453	46%	0.464	S	S	.	.	S	Bend	trans	-77.1	80.1	176	-62.3	0	0	0	0	110.7	R33 I37 G38 P39	R33-C41 PolarHBondContact NH2-O 3.17Å; I37-C41 HydrophobicContact CG2-CB 3.8Å; G38-C41 WeakPolarHBondContact O-CB 3.34Å; G38-C41 PolarHBondContact O-N 3.14Å; P39-C41 VanDerWaalsContact C-N 3.32Å
42	K	90.6	Very high	93.3	Very high	173 Å²	173	87.9 Å²	87.9	75%	0.752	46%	0.457	S	S	*	.			trans	-65.7	154.4	179.9	-57.7	-54.5	-176.4	-167.2	0	112.3	P39 S40	P39-K42 PolarHBondContact O-NZ 2.89Å; S40-K42 VanDerWaalsContact C-N 3.33Å; S40-K42 PolarHBondContact O-N 2.83Å
43	I	92.1	Very high	93.3	Very high	65 Å²	65	89 Å²	89	33%	0.333	47%	0.466	S	S	.	.			trans	-114	151.9	173.7	59.8	-169.3	0	0	0	109	R33 P49	R33-I43 VanDerWaalsContact CZ-CG2 3.42Å; I43-P49 HydrophobicContact CD1-CB 3.75Å; I43-P49 HydrophobicContact CD1-CG 3.37Å; I43-P49 HydrophobicContact CG1-CG 4.31Å
44	F	90.5	Very high	93.4	Very high	122 Å²	122	91.2 Å²	91.2	54%	0.535	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	147.6	166.7	-70.6	-77	0	0	0	110.1	S46 I72	F44-S46 PolarHBondContact O-N 3.46Å; F44-I72 HydrophobicContact CZ-CG2 4.19Å
45	F	91.8	Very high	93.6	Very high	19 Å²	19	84.7 Å²	84.7	8%	0.083	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	52.1	176.6	-44.2	-76.2	0	0	0	113	H47 D48 P49 I50 I409 Y410 K413 L418	F45-H47 PolarHBondContact O-N 3.34Å; F45-D48 WeakPolarHBondContact CB-O 3.47Å; F45-D48 CarbonylContact O-C 3.57Å; F45-D48 PolarHBondContact O-N 2.93Å; F45-P49 WeakPolarHBondContact O-CA 3.31Å; F45-P49 WeakPolarHBondContact O-CD 3.43Å; F45-I50 HydrophobicContact CD2-CD1 3.83Å; F45-I50 HydrophobicContact CD2-CG1 4.03Å; F45-I50 HydrophobicContact CE2-CD1 3.73Å; F45-I50 HydrophobicContact CE2-CG1 4.43Å; F45-I409 HydrophobicContact CD1-CG2 4.47Å; F45-I409 HydrophobicContact CE1-CG2 3.61Å; F45-I409 HydrophobicContact CZ-CG2 4.32Å; F45-Y410 HydrophobicContact CB-CE1 4.24Å; F45-Y410 HydrophobicContact CD1-CD1 4.1Å; F45-Y410 AromaticContact CD1-CE1 3.96Å; F45-Y410 HydrophobicContact CD1-CE1 3.96Å; F45-K413 HydrophobicContact CB-CD 4.09Å; F45-K413 HydrophobicContact CD1-CB 4.37Å; F45-K413 HydrophobicContact CD1-CD 3.36Å; F45-K413 HydrophobicContact CD1-CG 4.41Å; F45-K413 HydrophobicContact CD2-CD 3.8Å; F45-K413 HydrophobicContact CE1-CB 3.75Å; F45-K413 HydrophobicContact CE1-CD 3.57Å; F45-K413 HydrophobicContact CE1-CG 4.16Å; F45-K413 HydrophobicContact CE2-CD 4.02Å; F45-K413 HydrophobicContact CG-CD 3.47Å; F45-K413 VanDerWaalsContact CG-CD 3.47Å; F45-K413 HydrophobicContact CZ-CB 3.98Å; F45-K413 HydrophobicContact CZ-CD 3.91Å; F45-K413 HydrophobicContact CZ-CG 4.26Å; F45-L418 HydrophobicContact CE2-CD2 4.09Å; F45-L418 HydrophobicContact CZ-CD2 4.22Å
46	S	87	Confident	93.6	Very high	76 Å²	76	83.9 Å²	83.9	53%	0.531	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-30.6	-170.9	54.9	0	0	0	0	116	F44	F44-S46 PolarHBondContact O-N 3.46Å
47	H	86.6	Confident	93.7	Very high	167 Å²	167	78.9 Å²	78.9	77%	0.773	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-33.4	177.2	-61.6	103.3	0	0	0	113.5	F45 Y410	F45-H47 PolarHBondContact O-N 3.34Å; H47-Y410 PolarHBondContact ND1-OH 3.35Å
48	D	90.3	Very high	93.8	Very high	80 Å²	80	76.2 Å²	76.2	43%	0.428	41%	0.414	S	S	.	.	S	Bend	trans	-142.4	82	173.1	175.9	36.9	0	0	0	109.3	K26 F45 K413	K26-D48 IonicContact NZ-OD1 3.21Å; K26-D48 PolarHBondContact NZ-OD1 3.42Å; F45-D48 WeakPolarHBondContact CB-O 3.47Å; F45-D48 CarbonylContact O-C 3.57Å; F45-D48 PolarHBondContact O-N 2.93Å; D48-K413 WeakPolarHBondContact O-CE 3.44Å; D48-K413 PolarHBondContact O-NZ 3.18Å; D48-K413 IonicContact OD2-NZ 3.02Å; D48-K413 PolarHBondContact OD2-NZ 3.19Å
49	P	93.1	Very high	93.9	Very high	19 Å²	19	76.5 Å²	76.5	12%	0.123	40%	0.403	C	S	.	.			trans	-65.3	154.3	-175.6	-24.6	36.1	0	0	0	111.7	K26 I30 I43 F45	K26-P49 WeakPolarHBondContact CE-O 3.37Å; K26-P49 PolarHBondContact NZ-O 3.37Å; I30-P49 HydrophobicContact CD1-CG 4.32Å; I43-P49 HydrophobicContact CD1-CB 3.75Å; I43-P49 HydrophobicContact CD1-CG 3.37Å; I43-P49 HydrophobicContact CG1-CG 4.31Å; F45-P49 WeakPolarHBondContact O-CA 3.31Å; F45-P49 WeakPolarHBondContact O-CD 3.43Å
50	I	93.8	Very high	94.1	Very high	38 Å²	38	72.3 Å²	72.3	20%	0.195	37%	0.374	C	S	.	.			trans	-99.7	132.7	173.4	-49.3	173.8	0	0	0	108.8	F45 I52 D62 Y68 K413 L418	F45-I50 HydrophobicContact CD2-CD1 3.83Å; F45-I50 HydrophobicContact CD2-CG1 4.03Å; F45-I50 HydrophobicContact CE2-CD1 3.73Å; F45-I50 HydrophobicContact CE2-CG1 4.43Å; I50-I52 HydrophobicContact CG2-CD1 3.51Å; I50-I52 HydrophobicContact CG2-CG1 4.07Å; I50-D62 HydrophobicContact CG2-CB 4.32Å; I50-Y68 HydrophobicContact CD1-CD1 4.42Å; I50-Y68 HydrophobicContact CD1-CE1 4.09Å; I50-Y68 HydrophobicContact CG2-CE2 4.23Å; I50-K413 HydrophobicContact CD1-CD 3.74Å; I50-K413 HydrophobicContact CD1-CG 3.81Å; I50-K413 HydrophobicContact CG1-CD 4.03Å; I50-L418 HydrophobicContact CD1-CD2 3.33Å
51	K	95.6	Very high	94.5	Very high	38 Å²	38	70.1 Å²	70.1	17%	0.165	35%	0.35	C	S	.	.			trans	-99.5	92	174.8	175.5	-165.2	171.2	87.1	0	109.1	L24 K26 T29 V53 D62 E63	L24-K51 WeakPolarHBondContact O-CE 3.45Å; L24-K51 PolarHBondContact O-NZ 2.98Å; K26-K51 HydrophobicContact CB-CD 4.22Å; K26-K51 HydrophobicContact CG-CB 4.32Å; T29-K51 PolarHBondContact OG1-NZ 2.81Å; K51-V53 HydrophobicContact CG-CG1 4.32Å; K51-D62 VanDerWaalsContact O-CA 3.24Å; K51-D62 WeakPolarHBondContact O-CA 3.47Å; K51-E63 WeakPolarHBondContact CB-OE2 3.42Å; K51-E63 HydrophobicContact CD-CB 3.93Å; K51-E63 HydrophobicContact CD-CG 4.07Å; K51-E63 PolarHBondContact O-N 2.91Å
52	I	96.4	Very high	94.7	Very high	55 Å²	55	67.6 Å²	67.6	28%	0.282	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	133.7	175.3	-58.1	-58.4	0	0	0	110.3	I50 K54 M60 D62 Y68	I50-I52 HydrophobicContact CG2-CD1 3.51Å; I50-I52 HydrophobicContact CG2-CG1 4.07Å; I52-K54 WeakPolarHBondContact CG2-O 3.46Å; I52-M60 HydrophobicContact CB-CE 4.21Å; I52-M60 HydrophobicContact CD1-CB 3.91Å; I52-M60 HydrophobicContact CG1-CB 4.32Å; I52-M60 HydrophobicContact CG1-CE 4.04Å; I52-M60 HydrophobicContact CG1-SD 4.45Å; I52-M60 HydrophobicContact CG2-CB 3.96Å; I52-M60 HydrophobicContact CG2-CE 3.77Å; I52-M60 HydrophobicContact CG2-CG 4.49Å; I52-D62 HydrophobicContact CD1-CB 4.46Å; I52-Y68 HydrophobicContact CD1-CD2 4.32Å
53	V	96.8	Very high	94.9	Very high	88 Å²	88	62.6 Å²	62.6	53%	0.533	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-15.7	-179.9	-57.5	0	0	0	0	113.5	K51 Y61 D62 E63	K51-V53 HydrophobicContact CG-CG1 4.32Å; V53-Y61 PolarHBondContact N-O 2.79Å; V53-D62 WeakPolarHBondContact CG2-O 3.43Å; V53-E63 HydrophobicContact CG1-CB 4.1Å
54	K	97.4	Very high	95	Very high	137 Å²	137	67.9 Å²	67.9	60%	0.596	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.7	152.7	-179.7	176.5	-179.7	-179.3	-177.9	0	110.2	I52 M60 Y61	I52-K54 WeakPolarHBondContact CG2-O 3.46Å; K54-M60 CarbonylContact O-C 3.35Å; K54-Y61 HydrophobicContact CB-CD2 4.42Å; K54-Y61 HydrophobicContact CD-CD2 4.47Å; K54-Y61 HydrophobicContact CG-CD2 4.14Å; K54-Y61 PolarHBondContact N-O 3.34Å; K54-Y61 PolarHBondContact O-N 3.4Å
55	A	98.4	Very high	95.2	Very high	14 Å²	14	64.5 Å²	64.5	12%	0.116	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	154.4	171.1	0	0	0	0	0	110.6	Y59 M60 H80	A55-Y59 CarbonylContact C-O 3.6Å; A55-Y59 VanDerWaalsContact CA-O 3.24Å; A55-Y59 WeakPolarHBondContact CA-O 3.47Å; A55-Y59 WeakPolarHBondContact CB-O 3.4Å; A55-M60 HydrophobicContact CB-CB 4.46Å; A55-M60 HydrophobicContact CB-CG 4.08Å; A55-H80 HydrophobicContact CB-CB 3.42Å; A55-H80 VanDerWaalsContact CB-CB 3.42Å; A55-H80 VanDerWaalsContact CB-CG 3.45Å
56	K	98.5	Very high	95.5	Very high	145 Å²	145	67.1 Å²	67.1	63%	0.63	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.2	128.7	175.7	-176.7	-179.8	177.8	-177	0	109.6	Q58 Y59 H80	K56-Q58 PolarHBondContact O-N 3.11Å; K56-Y59 PolarHBondContact N-O 2.95Å; K56-Y59 PolarHBondContact O-N 3.43Å; K56-H80 WeakPolarHBondContact CA-O 3.39Å
57	G	98.6	Very high	96.1	Very high	18 Å²	18	69.6 Å²	69.6	19%	0.186	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	60	-126.5	-178.6	0	0	0	0	0	110.6	G79 H80	G57-G79 WeakPolarHBondContact O-CA 3.32Å; G57-H80 PolarHBondContact N-O 3.29Å; G57-H80 VanDerWaalsContact N-O 3.1Å; G57-H80 WeakPolarHBondContact O-CB 3.5Å; G57-H80 PolarHBondContact O-CD2 3.45Å; G57-H80 PolarHBondContact O-N 3.34Å
58	Q	98.6	Very high	96.6	Very high	20 Å²	20	62.7 Å²	62.7	9%	0.093	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	10.2	176.6	67.5	-84.3	27.8	0	0	114.4	K56 L69 D70 P434 C436 F437 D441	K56-Q58 PolarHBondContact O-N 3.11Å; Q58-L69 HydrophobicContact CB-CD1 4.41Å; Q58-L69 HydrophobicContact CG-CD1 3.89Å; Q58-D70 WeakPolarHBondContact O-CB 3.17Å; Q58-D70 PolarHBondContact O-N 3.37Å; Q58-P434 HydrophobicContact CB-CB 4.33Å; Q58-P434 HydrophobicContact CB-CG 4.36Å; Q58-C436 PolarHBondContact OE1-SG 2.97Å; Q58-F437 HydrophobicContact CB-CD2 4.35Å; Q58-F437 HydrophobicContact CG-CD2 4.43Å; Q58-D441 WeakPolarHBondContact CG-OD2 3.46Å; Q58-D441 PolarHBondContact NE2-OD2 3.16Å
59	Y	98.8	Very high	97.1	Very high	45 Å²	45	59.1 Å²	59.1	18%	0.176	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144.8	-177.1	-57.6	-69.7	0	0	0	113.3	A55 K56 R67 Y68 L69 D441	A55-Y59 CarbonylContact C-O 3.6Å; A55-Y59 VanDerWaalsContact CA-O 3.24Å; A55-Y59 WeakPolarHBondContact CA-O 3.47Å; A55-Y59 WeakPolarHBondContact CB-O 3.4Å; K56-Y59 PolarHBondContact N-O 2.95Å; K56-Y59 PolarHBondContact O-N 3.43Å; Y59-R67 HydrophobicContact CD1-CG 3.94Å; Y59-R67 HydrophobicContact CG-CG 4.1Å; Y59-Y68 CarbonylContact C-O 2.94Å; Y59-Y68 VanDerWaalsContact CA-O 3.29Å; Y59-Y68 WeakPolarHBondContact CA-O 3.3Å; Y59-L69 HydrophobicContact CD1-CB 4.39Å; Y59-L69 HydrophobicContact CD1-CD1 4.06Å; Y59-L69 HydrophobicContact CE1-CB 4.3Å; Y59-L69 HydrophobicContact CE1-CD1 3.66Å; Y59-D441 VanDerWaalsContact CZ-OD1 3.29Å; Y59-D441 PolarHBondContact OH-OD1 3.11Å
60	M	98.7	Very high	97.3	Very high	29 Å²	29	58.2 Å²	58.2	14%	0.143	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	154.9	171.2	-59.2	179.3	95.2	0	0	110.1	I52 K54 A55 R67 Y68 D70 L418	I52-M60 HydrophobicContact CB-CE 4.21Å; I52-M60 HydrophobicContact CD1-CB 3.91Å; I52-M60 HydrophobicContact CG1-CB 4.32Å; I52-M60 HydrophobicContact CG1-CE 4.04Å; I52-M60 HydrophobicContact CG1-SD 4.45Å; I52-M60 HydrophobicContact CG2-CB 3.96Å; I52-M60 HydrophobicContact CG2-CE 3.77Å; I52-M60 HydrophobicContact CG2-CG 4.49Å; K54-M60 CarbonylContact O-C 3.35Å; A55-M60 HydrophobicContact CB-CB 4.46Å; A55-M60 HydrophobicContact CB-CG 4.08Å; M60-R67 CarbonylContact O-C 3.51Å; M60-R67 WeakPolarHBondContact O-CA 3.37Å; M60-Y68 PolarHBondContact N-O 3.17Å; M60-Y68 PolarHBondContact O-N 3.47Å; M60-D70 HydrophobicContact CG-CB 4.16Å; M60-D70 HydrophobicContact SD-CB 4.24Å; M60-L418 HydrophobicContact SD-CD1 3.87Å
61	Y	98.3	Very high	97.5	Very high	57 Å²	57	56.4 Å²	56.4	22%	0.224	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.4	-178	-56.1	-98.2	0	0	0	110.4	V53 K54 Q66 R67	V53-Y61 PolarHBondContact N-O 2.79Å; K54-Y61 HydrophobicContact CB-CD2 4.42Å; K54-Y61 HydrophobicContact CD-CD2 4.47Å; K54-Y61 HydrophobicContact CG-CD2 4.14Å; K54-Y61 PolarHBondContact N-O 3.34Å; K54-Y61 PolarHBondContact O-N 3.4Å; Y61-Q66 VanDerWaalsContact CA-O 3.28Å; Y61-Q66 WeakPolarHBondContact CA-O 3.49Å; Y61-R67 HydrophobicContact CD1-CB 3.97Å; Y61-R67 HydrophobicContact CD1-CG 4.28Å; Y61-R67 HydrophobicContact CE1-CB 3.73Å; Y61-R67 HydrophobicContact CE1-CG 3.72Å
62	D	96.9	Very high	97.6	Very high	15 Å²	15	55 Å²	55	8%	0.08	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	179.8	176.3	78.9	0.7	0	0	0	112.7	I50 K51 I52 V53 K64 G65 Q66 Y68	I50-D62 HydrophobicContact CG2-CB 4.32Å; K51-D62 VanDerWaalsContact O-CA 3.24Å; K51-D62 WeakPolarHBondContact O-CA 3.47Å; I52-D62 HydrophobicContact CD1-CB 4.46Å; V53-D62 WeakPolarHBondContact CG2-O 3.43Å; D62-K64 PolarHBondContact O-N 3.13Å; D62-K64 VanDerWaalsContact O-N 3.15Å; D62-K64 WeakPolarHBondContact OD1-CA 3.46Å; D62-K64 WeakPolarHBondContact OD1-CB 3.35Å; D62-K64 PolarHBondContact OD1-N 3.45Å; D62-G65 PolarHBondContact O-N 3.47Å; D62-G65 PolarHBondContact OD1-N 3.36Å; D62-Q66 PolarHBondContact N-O 2.86Å; D62-Q66 VanDerWaalsContact N-O 3.1Å; D62-Q66 WeakPolarHBondContact OD1-CB 3.25Å; D62-Q66 PolarHBondContact OD1-N 3.43Å; D62-Q66 WeakPolarHBondContact OD2-CB 3.12Å; D62-Y68 HydrophobicContact CB-CE2 3.96Å
63	E	94.9	Very high	97.5	Very high	67 Å²	67	54.6 Å²	54.6	31%	0.313	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.9	179.5	76.2	-81.2	-162.3	0	0	114.7	K51 V53	K51-E63 WeakPolarHBondContact CB-OE2 3.42Å; K51-E63 HydrophobicContact CD-CB 3.93Å; K51-E63 HydrophobicContact CD-CG 4.07Å; K51-E63 PolarHBondContact O-N 2.91Å; V53-E63 HydrophobicContact CG1-CB 4.1Å
64	K	94.2	Very high	97.5	Very high	176 Å²	176	50.4 Å²	50.4	77%	0.765	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	0.4	177	-57.4	-179.9	-177	177.7	0	112.2	D62 Q66	D62-K64 PolarHBondContact O-N 3.13Å; D62-K64 VanDerWaalsContact O-N 3.15Å; D62-K64 WeakPolarHBondContact OD1-CA 3.46Å; D62-K64 WeakPolarHBondContact OD1-CB 3.35Å; D62-K64 PolarHBondContact OD1-N 3.45Å; K64-Q66 VanDerWaalsContact C-N 3.3Å
65	G	95.5	Very high	97.4	Very high	52 Å²	52	46.1 Å²	46.1	54%	0.536	23%	0.227	S	C	.	.			trans	80.3	8.3	-175.6	0	0	0	0	0	114	D62 R67	D62-G65 PolarHBondContact O-N 3.47Å; D62-G65 PolarHBondContact OD1-N 3.36Å; G65-R67 PolarHBondContact O-N 3.32Å
66	Q	97.9	Very high	97.4	Very high	74 Å²	74	45.8 Å²	45.8	35%	0.346	23%	0.225	S	C	.	.			trans	-66.3	126.2	176	-177.5	57.2	53.1	0	0	109.4	Y61 D62 K64 Y68 H416	Y61-Q66 VanDerWaalsContact CA-O 3.28Å; Y61-Q66 WeakPolarHBondContact CA-O 3.49Å; D62-Q66 PolarHBondContact N-O 2.86Å; D62-Q66 VanDerWaalsContact N-O 3.1Å; D62-Q66 WeakPolarHBondContact OD1-CB 3.25Å; D62-Q66 PolarHBondContact OD1-N 3.43Å; D62-Q66 WeakPolarHBondContact OD2-CB 3.12Å; K64-Q66 VanDerWaalsContact C-N 3.3Å; Q66-Y68 HydrophobicContact CB-CE2 3.94Å; Q66-Y68 HydrophobicContact CG-CD2 4.35Å; Q66-Y68 HydrophobicContact CG-CE2 3.69Å; Q66-Y68 WeakPolarHBondContact O-CD2 3.47Å; Q66-H416 VanDerWaalsContact CG-CE1 3.49Å; Q66-H416 WeakPolarHBondContact CG-CE1 3.33Å; Q66-H416 WeakPolarHBondContact CG-ND1 3.38Å; Q66-H416 PolarHBondContact NE2-CD2 2.88Å; Q66-H416 VanDerWaalsContact NE2-CD2 3.28Å; Q66-H416 PolarHBondContact NE2-NE2 3.35Å
67	R	98.3	Very high	97.4	Very high	127 Å²	127	38.9 Å²	38.9	48%	0.479	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134.9	178.9	-175.1	178.9	65.1	177.3	-0.3	110.1	Y59 M60 Y61 G65 H416	Y59-R67 HydrophobicContact CD1-CG 3.94Å; Y59-R67 HydrophobicContact CG-CG 4.1Å; M60-R67 CarbonylContact O-C 3.51Å; M60-R67 WeakPolarHBondContact O-CA 3.37Å; Y61-R67 HydrophobicContact CD1-CB 3.97Å; Y61-R67 HydrophobicContact CD1-CG 4.28Å; Y61-R67 HydrophobicContact CE1-CB 3.73Å; Y61-R67 HydrophobicContact CE1-CG 3.72Å; G65-R67 PolarHBondContact O-N 3.32Å; R67-H416 VanDerWaalsContact O-CB 3.32Å; R67-H416 WeakPolarHBondContact O-CB 3.37Å
68	Y	98.8	Very high	97.4	Very high	23 Å²	23	38.1 Å²	38.1	9%	0.09	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.1	174.9	-70.1	-94.7	0	0	0	110.6	I50 I52 Y59 M60 D62 Q66 H416 L418	I50-Y68 HydrophobicContact CD1-CD1 4.42Å; I50-Y68 HydrophobicContact CD1-CE1 4.09Å; I50-Y68 HydrophobicContact CG2-CE2 4.23Å; I52-Y68 HydrophobicContact CD1-CD2 4.32Å; Y59-Y68 CarbonylContact C-O 2.94Å; Y59-Y68 VanDerWaalsContact CA-O 3.29Å; Y59-Y68 WeakPolarHBondContact CA-O 3.3Å; M60-Y68 PolarHBondContact N-O 3.17Å; M60-Y68 PolarHBondContact O-N 3.47Å; D62-Y68 HydrophobicContact CB-CE2 3.96Å; Q66-Y68 HydrophobicContact CB-CE2 3.94Å; Q66-Y68 HydrophobicContact CG-CD2 4.35Å; Q66-Y68 HydrophobicContact CG-CE2 3.69Å; Q66-Y68 WeakPolarHBondContact O-CD2 3.47Å; Y68-H416 CarbonylContact C-O 3.22Å; Y68-H416 VanDerWaalsContact CA-O 3.23Å; Y68-H416 WeakPolarHBondContact CA-O 3.42Å; Y68-H416 HydrophobicContact CD1-CB 3.94Å; Y68-H416 HydrophobicContact CE1-CB 4.19Å; Y68-H416 AromaticContact CE1-ND1 3.68Å; Y68-H416 HydrophobicContact CG-CB 4.41Å; Y68-H416 AromaticContact CZ-ND1 3.78Å; Y68-L418 HydrophobicContact CD1-CD2 3.63Å; Y68-L418 HydrophobicContact CD1-CG 4.05Å; Y68-L418 HydrophobicContact CE1-CD2 4.28Å; Y68-L418 HydrophobicContact CG-CD1 4.39Å; Y68-L418 HydrophobicContact CG-CD2 4.31Å; Y68-L418 HydrophobicContact CG-CG 4.33Å
69	L	98.9	Very high	97.5	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	125.1	169.4	177.7	62	0	0	0	109.8	Q58 Y59 H416 V417 L418 F437 D441 L444 V445	Q58-L69 HydrophobicContact CB-CD1 4.41Å; Q58-L69 HydrophobicContact CG-CD1 3.89Å; Y59-L69 HydrophobicContact CD1-CB 4.39Å; Y59-L69 HydrophobicContact CD1-CD1 4.06Å; Y59-L69 HydrophobicContact CE1-CB 4.3Å; Y59-L69 HydrophobicContact CE1-CD1 3.66Å; L69-H416 PolarHBondContact N-O 3.43Å; L69-V417 HydrophobicContact CB-CG2 4.5Å; L69-L418 PolarHBondContact O-N 2.97Å; L69-F437 HydrophobicContact CD1-CD2 4.13Å; L69-F437 HydrophobicContact CD1-CE2 3.7Å; L69-F437 HydrophobicContact CD2-CE2 3.9Å; L69-F437 HydrophobicContact CD2-CZ 4.15Å; L69-F437 HydrophobicContact CG-CE2 4Å; L69-D441 HydrophobicContact CD1-CB 3.9Å; L69-D441 WeakPolarHBondContact CD1-OD1 3.41Å; L69-D441 HydrophobicContact CD2-CB 3.94Å; L69-L444 HydrophobicContact CD2-CD2 4.18Å; L69-V445 HydrophobicContact CD2-CG2 3.78Å
70	D	98.6	Very high	97.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	104.2	-176.3	-174.7	-1.3	0	0	0	112.2	Q58 M60 I72 N73 H80 P433 P434	Q58-D70 WeakPolarHBondContact O-CB 3.17Å; Q58-D70 PolarHBondContact O-N 3.37Å; M60-D70 HydrophobicContact CG-CB 4.16Å; M60-D70 HydrophobicContact SD-CB 4.24Å; D70-I72 WeakPolarHBondContact OD1-CA 3.49Å; D70-I72 PolarHBondContact OD1-N 3.25Å; D70-N73 VanDerWaalsContact CG-ND2 3.32Å; D70-N73 PolarHBondContact OD1-N 2.88Å; D70-N73 PolarHBondContact OD1-ND2 3.34Å; D70-N73 VanDerWaalsContact OD2-CB 3.24Å; D70-N73 WeakPolarHBondContact OD2-CB 3.25Å; D70-N73 PolarHBondContact OD2-ND2 3.23Å; D70-H80 IonicContact OD2-CD2 3.92Å; D70-H80 IonicContact OD2-CE1 2.75Å; D70-H80 PolarHBondContact OD2-CE1 3.39Å; D70-H80 IonicContact OD2-NE2 3.88Å; D70-H80 PolarHBondContact OD2-NE2 3.12Å; D70-P433 WeakPolarHBondContact O-CB 3.45Å; D70-P434 WeakPolarHBondContact O-CD 3.48Å
71	C	98.3	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-99.2	5.4	172.7	-55	0	0	0	0	113	L418 L419 F431 K432	C71-L418 WeakPolarHBondContact CA-O 3.48Å; C71-L418 WeakPolarHBondContact CB-O 3.23Å; C71-L418 PolarHBondContact N-O 2.99Å; C71-L419 HydrophobicContact CB-CD1 3.36Å; C71-F431 HydrophobicContact CB-CD1 4.15Å; C71-K432 CarbonylContact O-C 3.58Å; C71-K432 PolarHBondContact O-N 3.44Å
72	I	96.6	Very high	97.5	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.041	20%	0.195	C	C	.	.	S	Bend	trans	-101.9	-47.6	-173.3	-60.7	175	0	0	0	111.8	F44 D70 N74 L418 L419 K432	F44-I72 HydrophobicContact CZ-CG2 4.19Å; D70-I72 WeakPolarHBondContact OD1-CA 3.49Å; D70-I72 PolarHBondContact OD1-N 3.25Å; I72-N74 PolarHBondContact O-N 3.23Å; I72-L418 HydrophobicContact CD1-CB 3.98Å; I72-L418 HydrophobicContact CG1-CB 4.39Å; I72-L419 WeakPolarHBondContact CD1-O 3.48Å; I72-K432 WeakPolarHBondContact O-CG 3.45Å; I72-K432 PolarHBondContact O-NZ 3.31Å
73	N	94.7	Very high	97.6	Very high	47 Å²	47	40.8 Å²	40.8	25%	0.251	22%	0.218	S	C	.	.			trans	-89	76.8	-161.7	-61.2	-66.3	0	0	0	113.5	D70 V75 A76	D70-N73 VanDerWaalsContact CG-ND2 3.32Å; D70-N73 PolarHBondContact OD1-N 2.88Å; D70-N73 PolarHBondContact OD1-ND2 3.34Å; D70-N73 VanDerWaalsContact OD2-CB 3.24Å; D70-N73 WeakPolarHBondContact OD2-CB 3.25Å; D70-N73 PolarHBondContact OD2-ND2 3.23Å; N73-V75 PolarHBondContact O-N 3.34Å; N73-A76 PolarHBondContact O-N 3.26Å; N73-A76 VanDerWaalsContact O-N 3.13Å
74	N	95.8	Very high	97.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-16	168.3	69.1	-57.7	0	0	0	113.9	I72 H77 Q269 K432	I72-N74 PolarHBondContact O-N 3.23Å; N74-H77 WeakPolarHBondContact O-CA 3.11Å; N74-H77 WeakPolarHBondContact O-CB 3.47Å; N74-H77 PolarHBondContact O-N 3.02Å; N74-Q269 PolarHBondContact ND2-O 3.3Å; N74-Q269 PolarHBondContact ND2-OE1 3.48Å; N74-Q269 PolarHBondContact OD1-OE1 3.17Å; N74-K432 VanDerWaalsContact CA-O 3.28Å; N74-K432 WeakPolarHBondContact CA-O 3.34Å; N74-K432 HydrophobicContact CB-CB 3.92Å; N74-K432 HydrophobicContact CB-CD 4.16Å; N74-K432 HydrophobicContact CB-CG 4Å; N74-K432 WeakPolarHBondContact CB-O 3.09Å; N74-K432 PolarHBondContact N-O 2.89Å; N74-K432 PolarHBondContact OD1-NZ 2.87Å
75	V	96.9	Very high	98	Very high	46 Å²	46	32.6 Å²	32.6	28%	0.279	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-40.6	175.7	179.2	0	0	0	0	111.2	N73 H77 K298 N302 G303	N73-V75 PolarHBondContact O-N 3.34Å; V75-H77 PolarHBondContact O-N 2.89Å; V75-K298 HydrophobicContact CG2-CB 4.07Å; V75-K298 HydrophobicContact CG2-CD 4.01Å; V75-K298 HydrophobicContact CG2-CG 4.03Å; V75-N302 CarbonylContact O-C 3.6Å; V75-N302 WeakPolarHBondContact O-CA 3.41Å; V75-G303 PolarHBondContact O-N 2.67Å
76	A	98.3	Very high	98.1	Very high	7 Å²	7	34.2 Å²	34.2	6%	0.058	18%	0.184	C	C	.	.	S	Bend	trans	-78.8	58	170.3	0	0	0	0	0	109.4	N73 V78 G79 H80 N302 P434	N73-A76 PolarHBondContact O-N 3.26Å; N73-A76 VanDerWaalsContact O-N 3.13Å; A76-V78 PolarHBondContact O-N 2.93Å; A76-G79 PolarHBondContact O-N 3.03Å; A76-H80 VanDerWaalsContact CB-CE1 3.48Å; A76-H80 WeakPolarHBondContact CB-CE1 3.2Å; A76-H80 WeakPolarHBondContact CB-ND1 3.12Å; A76-N302 VanDerWaalsContact CA-OD1 3.28Å; A76-N302 WeakPolarHBondContact CA-OD1 3.24Å; A76-P434 HydrophobicContact CB-CG 4.43Å; A76-P434 VanDerWaalsContact O-CB 3.23Å; A76-P434 WeakPolarHBondContact O-CB 3.36Å; A76-P434 WeakPolarHBondContact O-CG 3.22Å
77	H	98.8	Very high	98.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-43.3	-166.4	-171.1	80.6	0	0	0	114.2	N74 V75 G79 F272 R274 P299 N302 L435	N74-H77 WeakPolarHBondContact O-CA 3.11Å; N74-H77 WeakPolarHBondContact O-CB 3.47Å; N74-H77 PolarHBondContact O-N 3.02Å; V75-H77 PolarHBondContact O-N 2.89Å; H77-G79 VanDerWaalsContact C-N 3.3Å; H77-F272 PolarHBondContact CE1-O 3.31Å; H77-F272 WeakPolarHBondContact NE2-CB 3.22Å; H77-F272 PolarHBondContact NE2-O 3.32Å; H77-R274 PolarHBondContact ND1-NH2 3.35Å; H77-P299 HydrophobicContact CB-CB 3.78Å; H77-P299 HydrophobicContact CB-CG 4.31Å; H77-N302 PolarHBondContact N-OD1 2.76Å; H77-L435 WeakPolarHBondContact CE1-CD1 3.31Å; H77-L435 WeakPolarHBondContact NE2-CD1 3.44Å; H77-L435 VanDerWaalsContact O-CB 3.31Å; H77-L435 WeakPolarHBondContact O-CB 3.42Å; H77-L435 PolarHBondContact O-N 2.7Å
78	V	98.8	Very high	98.2	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	14.8	177.6	-55	0	0	0	0	112.7	A76 H82 V85 N302 V343 V346 I347 L352	A76-V78 PolarHBondContact O-N 2.93Å; V78-H82 HydrophobicContact CG2-CB 3.93Å; V78-H82 PolarHBondContact O-CD2 3.29Å; V78-V85 HydrophobicContact CG2-CG2 3.91Å; V78-N302 HydrophobicContact CG2-CB 4.11Å; V78-N302 VanDerWaalsContact CG2-CG 3.47Å; V78-N302 WeakPolarHBondContact CG2-ND2 3.06Å; V78-N302 PolarHBondContact N-OD1 3.47Å; V78-V343 HydrophobicContact CG1-CG1 4.07Å; V78-V346 HydrophobicContact CB-CB 4.43Å; V78-V346 HydrophobicContact CB-CG1 3.72Å; V78-V346 HydrophobicContact CG1-CB 4.36Å; V78-V346 HydrophobicContact CG1-CG1 4.02Å; V78-V346 HydrophobicContact CG2-CG1 4.17Å; V78-I347 HydrophobicContact CG1-CD1 4.38Å; V78-I347 HydrophobicContact CG1-CG1 3.75Å; V78-L352 HydrophobicContact CB-CD1 3.79Å; V78-L352 HydrophobicContact CG1-CD1 3.65Å
79	G	98.7	Very high	98.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.01	18%	0.177	C	C	.	.			trans	98.1	145.7	-174.1	0	0	0	0	0	112.7	G57 A76 H77 C81 N302	G57-G79 WeakPolarHBondContact O-CA 3.32Å; A76-G79 PolarHBondContact O-N 3.03Å; H77-G79 VanDerWaalsContact C-N 3.3Å; G79-C81 PolarHBondContact O-N 2.92Å; G79-N302 PolarHBondContact O-ND2 3.46Å
80	H	98.8	Very high	98.2	Very high	27 Å²	27	33.2 Å²	33.2	13%	0.125	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-58.7	133.6	176.5	-70.9	-76	0	0	0	111	A55 K56 G57 D70 A76 H82	A55-H80 HydrophobicContact CB-CB 3.42Å; A55-H80 VanDerWaalsContact CB-CB 3.42Å; A55-H80 VanDerWaalsContact CB-CG 3.45Å; K56-H80 WeakPolarHBondContact CA-O 3.39Å; G57-H80 PolarHBondContact N-O 3.29Å; G57-H80 VanDerWaalsContact N-O 3.1Å; G57-H80 WeakPolarHBondContact O-CB 3.5Å; G57-H80 PolarHBondContact O-CD2 3.45Å; G57-H80 PolarHBondContact O-N 3.34Å; D70-H80 IonicContact OD2-CD2 3.92Å; D70-H80 IonicContact OD2-CE1 2.75Å; D70-H80 PolarHBondContact OD2-CE1 3.39Å; D70-H80 IonicContact OD2-NE2 3.88Å; D70-H80 PolarHBondContact OD2-NE2 3.12Å; A76-H80 VanDerWaalsContact CB-CE1 3.48Å; A76-H80 WeakPolarHBondContact CB-CE1 3.2Å; A76-H80 WeakPolarHBondContact CB-ND1 3.12Å; H80-H82 PolarHBondContact O-N 3.35Å
81	C	98.4	Very high	98.2	Very high	86 Å²	86	38.4 Å²	38.4	58%	0.581	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	40.1	174.2	-57.4	0	0	0	0	113.7	G79	G79-C81 PolarHBondContact O-N 2.92Å
82	H	98.8	Very high	98.2	Very high	20 Å²	20	39.4 Å²	39.4	9%	0.093	23%	0.228	C	C	.	.			trans	-55.9	125.9	179	-168.5	-76.6	0	0	0	111.2	V78 H80 D84 V85 V86 V346 E350	V78-H82 HydrophobicContact CG2-CB 3.93Å; V78-H82 PolarHBondContact O-CD2 3.29Å; H80-H82 PolarHBondContact O-N 3.35Å; H82-D84 IonicContact CE1-OD2 3.32Å; H82-D84 PolarHBondContact ND1-N 2.7Å; H82-D84 PolarHBondContact O-N 2.73Å; H82-V85 HydrophobicContact CB-CB 4.28Å; H82-V85 HydrophobicContact CB-CG2 4.02Å; H82-V85 PolarHBondContact O-N 2.84Å; H82-V85 VanDerWaalsContact O-N 3.13Å; H82-V86 WeakPolarHBondContact O-CG2 3.23Å; H82-V86 PolarHBondContact O-N 3.23Å; H82-V346 WeakPolarHBondContact CE1-CG2 3.4Å; H82-E350 IonicContact CE1-OE1 2.72Å; H82-E350 IonicContact NE2-OE1 2.77Å; H82-E350 PolarHBondContact NE2-OE1 2.95Å; H82-E350 VanDerWaalsContact NE2-OE1 3.15Å; H82-E350 IonicContact NE2-OE2 2.75Å
83	P	98.8	Very high	98.3	Very high	88 Å²	88	44.6 Å²	44.6	57%	0.571	25%	0.254	S	S	*	.	H	α-helix	trans	-60.4	-41.3	-170	22.2	-33.5	0	0	0	113.2	V85 V86 K87	P83-V85 VanDerWaalsContact C-N 3.31Å; P83-V85 PolarHBondContact O-N 2.97Å; P83-V86 PolarHBondContact O-N 2.97Å; P83-K87 VanDerWaalsContact O-CB 3.27Å; P83-K87 WeakPolarHBondContact O-CB 3.4Å; P83-K87 PolarHBondContact O-N 3.4Å
84	D	98.8	Very high	98.5	Very high	60 Å²	60	45.7 Å²	45.7	32%	0.321	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-36.1	179.9	-66.4	-9.1	0	0	0	111.6	H82 A88 V346 K349	H82-D84 IonicContact CE1-OD2 3.32Å; H82-D84 PolarHBondContact ND1-N 2.7Å; H82-D84 PolarHBondContact O-N 2.73Å; D84-A88 WeakPolarHBondContact O-CB 3.39Å; D84-A88 PolarHBondContact O-N 2.96Å; D84-V346 HydrophobicContact CB-CG2 3.96Å; D84-K349 IonicContact OD2-NZ 2.99Å; D84-K349 PolarHBondContact OD2-NZ 3.29Å
85	V	98.9	Very high	98.6	Very high	12 Å²	12	52.4 Å²	52.4	7%	0.073	31%	0.311	C	S	.	.	H	α-helix	trans	-72.5	-44.3	178	-179.3	0	0	0	0	111	V78 H82 P83 K87 A88 G89 N302 I339 A342 V343	V78-V85 HydrophobicContact CG2-CG2 3.91Å; H82-V85 HydrophobicContact CB-CB 4.28Å; H82-V85 HydrophobicContact CB-CG2 4.02Å; H82-V85 PolarHBondContact O-N 2.84Å; H82-V85 VanDerWaalsContact O-N 3.13Å; P83-V85 VanDerWaalsContact C-N 3.31Å; P83-V85 PolarHBondContact O-N 2.97Å; V85-K87 VanDerWaalsContact C-N 3.33Å; V85-K87 PolarHBondContact O-N 3.06Å; V85-A88 PolarHBondContact O-N 3.36Å; V85-G89 PolarHBondContact O-N 3.49Å; V85-N302 HydrophobicContact CG1-CB 4.34Å; V85-I339 HydrophobicContact CG1-CG2 3.83Å; V85-A342 HydrophobicContact CG2-CB 4.32Å; V85-V343 HydrophobicContact CG1-CG2 4.31Å; V85-V343 HydrophobicContact CG2-CG2 3.94Å
86	V	98.8	Very high	98.6	Very high	85 Å²	85	53.7 Å²	53.7	52%	0.515	32%	0.316	S	S	.	.	H	α-helix	trans	-60.2	-45.3	176.5	171.8	0	0	0	0	110.5	H82 P83 A90	H82-V86 WeakPolarHBondContact O-CG2 3.23Å; H82-V86 PolarHBondContact O-N 3.23Å; P83-V86 PolarHBondContact O-N 2.97Å; V86-A90 VanDerWaalsContact O-CB 3.28Å; V86-A90 WeakPolarHBondContact O-CB 3.26Å; V86-A90 PolarHBondContact O-N 2.98Å
87	K	98.8	Very high	98.6	Very high	121 Å²	121	58 Å²	58	53%	0.526	34%	0.338	S	S	.	.	H	α-helix	trans	-60.4	-52.3	178.4	-178.2	-177.3	173.2	-171.8	0	111.3	P83 V85 G89 A90 E91	P83-K87 VanDerWaalsContact O-CB 3.27Å; P83-K87 WeakPolarHBondContact O-CB 3.4Å; P83-K87 PolarHBondContact O-N 3.4Å; V85-K87 VanDerWaalsContact C-N 3.33Å; V85-K87 PolarHBondContact O-N 3.06Å; K87-G89 VanDerWaalsContact C-N 3.33Å; K87-G89 PolarHBondContact O-N 2.8Å; K87-A90 PolarHBondContact O-N 2.96Å; K87-E91 VanDerWaalsContact CE-CD 3.47Å; K87-E91 WeakPolarHBondContact CE-OE1 3.49Å; K87-E91 HydrophobicContact CG-CG 4.25Å; K87-E91 IonicContact NZ-OE1 3.78Å; K87-E91 WeakPolarHBondContact O-CB 3.42Å; K87-E91 WeakPolarHBondContact O-CG 3.26Å; K87-E91 PolarHBondContact O-N 3.24Å
88	A	98.8	Very high	98.4	Very high	22 Å²	22	60 Å²	60	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-59	-43.7	-179	0	0	0	0	0	112.5	D84 V85 Q92 A342	D84-A88 WeakPolarHBondContact O-CB 3.39Å; D84-A88 PolarHBondContact O-N 2.96Å; V85-A88 PolarHBondContact O-N 3.36Å; A88-Q92 WeakPolarHBondContact O-CB 3.44Å; A88-Q92 PolarHBondContact O-N 3.12Å; A88-Q92 VanDerWaalsContact O-N 3.13Å; A88-A342 HydrophobicContact CB-CB 3.62Å
89	G	98.6	Very high	98.1	Very high	5 Å²	5	61.7 Å²	61.7	5%	0.052	36%	0.36	C	S	.	.	H	α-helix	trans	-62.8	-48.4	175.3	0	0	0	0	0	112.5	V85 K87 M93	V85-G89 PolarHBondContact O-N 3.49Å; K87-G89 VanDerWaalsContact C-N 3.33Å; K87-G89 PolarHBondContact O-N 2.8Å; G89-M93 VanDerWaalsContact O-CB 3.31Å; G89-M93 WeakPolarHBondContact O-CB 3.47Å; G89-M93 WeakPolarHBondContact O-CG 3.44Å; G89-M93 PolarHBondContact O-N 3.13Å
90	A	98.8	Very high	97.7	Very high	60 Å²	60	63.8 Å²	63.8	50%	0.496	37%	0.372	S	S	.	.	H	α-helix	trans	-64.4	-43.2	-178.6	0	0	0	0	0	112.8	V86 K87 M93 G94	V86-A90 VanDerWaalsContact O-CB 3.28Å; V86-A90 WeakPolarHBondContact O-CB 3.26Å; V86-A90 PolarHBondContact O-N 2.98Å; K87-A90 PolarHBondContact O-N 2.96Å; A90-M93 PolarHBondContact O-N 2.96Å; A90-G94 PolarHBondContact O-N 3.01Å
91	E	98.8	Very high	97.4	Very high	109 Å²	109	69.3 Å²	69.3	51%	0.509	39%	0.392	S	S	.	.	H	α-helix	trans	-62.7	-49.3	177.8	-73.7	177.8	163.3	0	0	110.9	K87 M93 G94 L95	K87-E91 VanDerWaalsContact CE-CD 3.47Å; K87-E91 WeakPolarHBondContact CE-OE1 3.49Å; K87-E91 HydrophobicContact CG-CG 4.25Å; K87-E91 IonicContact NZ-OE1 3.78Å; K87-E91 WeakPolarHBondContact O-CB 3.42Å; K87-E91 WeakPolarHBondContact O-CG 3.26Å; K87-E91 PolarHBondContact O-N 3.24Å; E91-M93 VanDerWaalsContact C-N 3.34Å; E91-M93 PolarHBondContact O-N 2.87Å; E91-G94 PolarHBondContact O-N 3.25Å; E91-G94 VanDerWaalsContact O-N 3.15Å; E91-L95 PolarHBondContact O-N 3.34Å
92	Q	98.8	Very high	97.1	Very high	20 Å²	20	71.5 Å²	71.5	9%	0.093	39%	0.392	C	S	.	.	H	α-helix	trans	-65.1	-37.2	178.3	-175.6	62.2	56.8	0	0	112.3	A88 G94 L95 L96 H104 N106 P334 V335 A338	A88-Q92 WeakPolarHBondContact O-CB 3.44Å; A88-Q92 PolarHBondContact O-N 3.12Å; A88-Q92 VanDerWaalsContact O-N 3.13Å; Q92-G94 VanDerWaalsContact C-N 3.26Å; Q92-G94 PolarHBondContact O-N 3.31Å; Q92-L95 PolarHBondContact O-N 3.23Å; Q92-L96 PolarHBondContact NE2-O 3.36Å; Q92-L96 PolarHBondContact O-N 3.01Å; Q92-H104 PolarHBondContact NE2-NE2 2.79Å; Q92-N106 PolarHBondContact OE1-ND2 3.23Å; Q92-P334 HydrophobicContact CG-CB 4.07Å; Q92-P334 WeakPolarHBondContact CG-O 3.21Å; Q92-V335 HydrophobicContact CB-CG2 4.35Å; Q92-V335 HydrophobicContact CG-CB 4.4Å; Q92-V335 HydrophobicContact CG-CG2 3.92Å; Q92-A338 HydrophobicContact CB-CB 3.72Å; Q92-A338 HydrophobicContact CG-CB 3.94Å
93	M	98.4	Very high	96.9	Very high	118 Å²	118	78.3 Å²	78.3	58%	0.581	43%	0.428	S	S	*	.	H	α-helix	trans	-62.1	-33.1	174.5	-79.4	176.8	64.4	0	0	112.7	G89 A90 E91 L95 V335	G89-M93 VanDerWaalsContact O-CB 3.31Å; G89-M93 WeakPolarHBondContact O-CB 3.47Å; G89-M93 WeakPolarHBondContact O-CG 3.44Å; G89-M93 PolarHBondContact O-N 3.13Å; A90-M93 PolarHBondContact O-N 2.96Å; E91-M93 VanDerWaalsContact C-N 3.34Å; E91-M93 PolarHBondContact O-N 2.87Å; M93-L95 PolarHBondContact O-N 3.22Å; M93-V335 HydrophobicContact CB-CG2 4.28Å; M93-V335 HydrophobicContact CG-CB 4.17Å; M93-V335 HydrophobicContact CG-CG1 3.53Å; M93-V335 HydrophobicContact CG-CG2 3.49Å; M93-V335 VanDerWaalsContact CG-CG2 3.49Å; M93-V335 HydrophobicContact SD-CG1 4.13Å
94	G	98.3	Very high	96.8	Very high	69 Å²	69	76 Å²	76	71%	0.711	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-14.1	174.7	0	0	0	0	0	114	A90 E91 Q92	A90-G94 PolarHBondContact O-N 3.01Å; E91-G94 PolarHBondContact O-N 3.25Å; E91-G94 VanDerWaalsContact O-N 3.15Å; Q92-G94 VanDerWaalsContact C-N 3.26Å; Q92-G94 PolarHBondContact O-N 3.31Å
95	L	98.2	Very high	96.8	Very high	143 Å²	143	78.5 Å²	78.5	75%	0.749	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-59.2	-178.6	-61.4	176.6	0	0	0	112.2	E91 Q92 M93	E91-L95 PolarHBondContact O-N 3.34Å; Q92-L95 PolarHBondContact O-N 3.23Å; M93-L95 PolarHBondContact O-N 3.22Å
96	L	97.8	Very high	96.8	Very high	73 Å²	73	79.2 Å²	79.2	38%	0.382	43%	0.426	S	S	.	.			trans	-159.2	128.9	-174.3	-174.1	67.7	0	0	0	112.1	Q92 T98 P334	Q92-L96 PolarHBondContact NE2-O 3.36Å; Q92-L96 PolarHBondContact O-N 3.01Å; L96-T98 HydrophobicContact CD1-CG2 3.87Å; L96-T98 HydrophobicContact CD2-CG2 4Å; L96-T98 HydrophobicContact CG-CG2 3.92Å; L96-P334 HydrophobicContact CD2-CG 4.28Å; L96-P334 HydrophobicContact CG-CG 4.49Å
97	N	96.9	Very high	96.7	Very high	96 Å²	96	77.1 Å²	77.1	51%	0.513	41%	0.412	S	S	.	.			trans	-135.7	94.3	169.8	-173.2	13.5	0	0	0	110	N333 V335	N97-N333 PolarHBondContact OD1-OD1 3.48Å; N97-V335 HydrophobicContact CB-CG2 3.73Å
98	T	95.6	Very high	96.7	Very high	42 Å²	42	75.3 Å²	75.3	26%	0.258	41%	0.411	S	S	.	.			trans	-144.2	175.8	-178.4	-167.6	0	0	0	0	110.5	L96 F102 N333 P334	L96-T98 HydrophobicContact CD1-CG2 3.87Å; L96-T98 HydrophobicContact CD2-CG2 4Å; L96-T98 HydrophobicContact CG-CG2 3.92Å; T98-F102 HydrophobicContact CG2-CD2 3.93Å; T98-N333 VanDerWaalsContact O-CB 3.27Å; T98-N333 WeakPolarHBondContact O-CB 3.46Å; T98-P334 WeakPolarHBondContact O-CD 3.12Å
99	N	92.8	Very high	96.7	Very high	39 Å²	39	78 Å²	78	21%	0.209	42%	0.422	C	S	.	.			trans	-65.7	172.2	176.7	67.3	60.7	0	0	0	112.7	R101 F327 T329	N99-R101 PolarHBondContact O-N 3.43Å; N99-R101 WeakPolarHBondContact OD1-CB 3.43Å; N99-R101 PolarHBondContact OD1-N 3.08Å; N99-F327 HydrophobicContact CB-CE2 4.14Å; N99-F327 HydrophobicContact CB-CZ 4.05Å; N99-T329 WeakPolarHBondContact CA-O 3.27Å; N99-T329 WeakPolarHBondContact CB-O 3.39Å
100	T	90.9	Very high	96.7	Very high	45 Å²	45	77.8 Å²	77.8	28%	0.276	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	10.4	-174.2	47.7	0	0	0	0	115.4	F102 L107 G331 G332	T100-F102 VanDerWaalsContact C-N 3.31Å; T100-L107 HydrophobicContact CG2-CD1 4.15Å; T100-L107 HydrophobicContact CG2-CD2 3.95Å; T100-G331 WeakPolarHBondContact CG2-O 3.3Å; T100-G332 WeakPolarHBondContact CG2-O 3.4Å
101	R	91.8	Very high	96.6	Very high	142 Å²	142	76 Å²	76	54%	0.536	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-20	177.4	-68.1	-178.6	170.2	-157.8	-7.3	113.1	N99 E325 F327	N99-R101 PolarHBondContact O-N 3.43Å; N99-R101 WeakPolarHBondContact OD1-CB 3.43Å; N99-R101 PolarHBondContact OD1-N 3.08Å; R101-E325 IonicContact CZ-OE1 3.13Å; R101-E325 IonicContact NE-OE1 2.74Å; R101-E325 IonicContact NH2-OE1 2.7Å; R101-E325 PolarHBondContact NH2-OE1 2.92Å; R101-E325 IonicContact NH2-OE2 3.54Å; R101-F327 HydrophobicContact CG-CD2 4.11Å; R101-F327 HydrophobicContact CG-CE2 3.75Å; R101-F327 VanDerWaalsContact NE-CE2 3.31Å
102	F	92.2	Very high	96.6	Very high	132 Å²	132	76.9 Å²	76.9	58%	0.579	41%	0.408	S	S	*	.	S	Bend	trans	-90	135	170	-54.6	-77.4	0	0	0	109	T98 T100 H104	T98-F102 HydrophobicContact CG2-CD2 3.93Å; T100-F102 VanDerWaalsContact C-N 3.31Å; F102-H104 PolarHBondContact O-N 3.04Å
103	L	94.1	Very high	96.6	Very high	164 Å²	164	79.6 Å²	79.6	86%	0.859	42%	0.418	S	S	*	.			trans	-60.3	127.4	179.1	-170.6	66.8	0	0	0	110.1
104	H	97.6	Very high	96.6	Very high	40 Å²	40	74 Å²	74	19%	0.185	39%	0.39	C	S	.	.			trans	-145.9	131.3	179.5	-166.2	-73.8	0	0	0	111.2	Q92 F102 N106 L107 P334	Q92-H104 PolarHBondContact NE2-NE2 2.79Å; F102-H104 PolarHBondContact O-N 3.04Å; H104-N106 VanDerWaalsContact CE1-CG 3.4Å; H104-N106 PolarHBondContact CE1-ND2 2.88Å; H104-N106 PolarHBondContact ND1-N 3.28Å; H104-N106 PolarHBondContact O-N 3.07Å; H104-L107 WeakPolarHBondContact O-CB 3.39Å; H104-L107 PolarHBondContact O-N 3.48Å; H104-P334 HydrophobicContact CB-CG 4.36Å
105	D	98.2	Very high	96.6	Very high	111 Å²	111	74 Å²	74	59%	0.594	37%	0.372	S	S	*	.	H	α-helix	trans	-63.9	-41.1	-170.9	-63.6	-13.1	0	0	0	113	L107 V108 L109	D105-L107 PolarHBondContact O-N 3.49Å; D105-V108 WeakPolarHBondContact O-CG2 3.35Å; D105-V108 PolarHBondContact O-N 3.29Å; D105-V108 VanDerWaalsContact O-N 3.1Å; D105-L109 HydrophobicContact CB-CD1 4.19Å; D105-L109 WeakPolarHBondContact O-CB 3.37Å; D105-L109 WeakPolarHBondContact O-CG 3.2Å; D105-L109 PolarHBondContact O-N 2.95Å
106	N	98.3	Very high	96.6	Very high	27 Å²	27	71.2 Å²	71.2	14%	0.144	37%	0.369	C	S	.	.	H	α-helix	trans	-53.8	-34	179.8	-63.5	-0.8	0	0	0	113	Q92 H104 Y110 P334 C337 L341	Q92-N106 PolarHBondContact OE1-ND2 3.23Å; H104-N106 VanDerWaalsContact CE1-CG 3.4Å; H104-N106 PolarHBondContact CE1-ND2 2.88Å; H104-N106 PolarHBondContact ND1-N 3.28Å; H104-N106 PolarHBondContact O-N 3.07Å; N106-Y110 WeakPolarHBondContact O-CB 3.15Å; N106-Y110 PolarHBondContact O-N 3.15Å; N106-P334 PolarHBondContact ND2-O 2.72Å; N106-C337 HydrophobicContact CB-CB 3.66Å; N106-L341 HydrophobicContact CB-CD1 4.26Å
107	L	97.6	Very high	96.6	Very high	42 Å²	42	69.5 Å²	69.5	22%	0.22	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-49.8	-180	179.4	66.4	0	0	0	111.1	T100 H104 D105 A111 F127	T100-L107 HydrophobicContact CG2-CD1 4.15Å; T100-L107 HydrophobicContact CG2-CD2 3.95Å; H104-L107 WeakPolarHBondContact O-CB 3.39Å; H104-L107 PolarHBondContact O-N 3.48Å; D105-L107 PolarHBondContact O-N 3.49Å; L107-A111 WeakPolarHBondContact O-CB 3.25Å; L107-A111 PolarHBondContact O-N 2.9Å; L107-F127 HydrophobicContact CD1-CD2 3.42Å; L107-F127 VanDerWaalsContact CD1-CD2 3.42Å; L107-F127 HydrophobicContact CD1-CE2 3.53Å; L107-F127 HydrophobicContact CD1-CG 4.38Å
108	V	97.6	Very high	96.7	Very high	83 Å²	83	65.4 Å²	65.4	50%	0.503	34%	0.34	S	S	.	.	H	α-helix	trans	-73.4	-39.2	-177.5	-63	0	0	0	0	111.7	D105 Y110 A111 Q112	D105-V108 WeakPolarHBondContact O-CG2 3.35Å; D105-V108 PolarHBondContact O-N 3.29Å; D105-V108 VanDerWaalsContact O-N 3.1Å; V108-Y110 VanDerWaalsContact C-N 3.33Å; V108-Y110 PolarHBondContact O-N 2.57Å; V108-A111 PolarHBondContact O-N 2.72Å; V108-Q112 WeakPolarHBondContact O-CB 3.43Å; V108-Q112 PolarHBondContact O-N 3.18Å
109	L	98.6	Very high	96.8	Very high	79 Å²	79	65 Å²	65	41%	0.414	34%	0.338	S	S	.	.	H	α-helix	trans	-63.7	-40.7	175.8	-68.2	174.5	0	0	0	111.3	D105 Q112 R113 L341	D105-L109 HydrophobicContact CB-CD1 4.19Å; D105-L109 WeakPolarHBondContact O-CB 3.37Å; D105-L109 WeakPolarHBondContact O-CG 3.2Å; D105-L109 PolarHBondContact O-N 2.95Å; L109-Q112 PolarHBondContact O-N 3.39Å; L109-R113 WeakPolarHBondContact O-CG 3.5Å; L109-R113 PolarHBondContact O-N 2.97Å; L109-L341 HydrophobicContact CB-CD1 4.45Å
110	Y	98.6	Very high	97	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-69.5	-44.1	178.1	-171.3	-127.6	0	0	0	112.2	N106 V108 Q112 R113 L114 F127 I300 M306 C337 G340 L341 L344	N106-Y110 WeakPolarHBondContact O-CB 3.15Å; N106-Y110 PolarHBondContact O-N 3.15Å; V108-Y110 VanDerWaalsContact C-N 3.33Å; V108-Y110 PolarHBondContact O-N 2.57Å; Y110-Q112 VanDerWaalsContact C-N 3.3Å; Y110-Q112 PolarHBondContact O-N 3.28Å; Y110-R113 PolarHBondContact O-N 3.01Å; Y110-L114 HydrophobicContact CD1-CD1 3.98Å; Y110-L114 HydrophobicContact CD2-CG 4.44Å; Y110-L114 HydrophobicContact CE1-CD1 3.54Å; Y110-L114 HydrophobicContact CE1-CG 4.18Å; Y110-L114 HydrophobicContact CE2-CD1 4.3Å; Y110-L114 HydrophobicContact CE2-CD2 4.32Å; Y110-L114 HydrophobicContact CE2-CG 4.02Å; Y110-L114 PolarHBondContact O-N 3.41Å; Y110-F127 AromaticContact CD1-CE1 3.51Å; Y110-F127 HydrophobicContact CD1-CE1 3.51Å; Y110-F127 AromaticContact CD1-CZ 3.66Å; Y110-F127 HydrophobicContact CD1-CZ 3.66Å; Y110-F127 AromaticContact CE1-CE1 3.65Å; Y110-F127 HydrophobicContact CE1-CE1 3.65Å; Y110-F127 HydrophobicContact CE1-CZ 4.25Å; Y110-I300 HydrophobicContact CE1-CD1 4.18Å; Y110-I300 HydrophobicContact CE1-CG1 4.23Å; Y110-I300 WeakPolarHBondContact OH-CG1 3.42Å; Y110-I300 PolarHBondContact OH-O 2.99Å; Y110-M306 HydrophobicContact CD1-CE 3.62Å; Y110-M306 HydrophobicContact CE1-CE 3.44Å; Y110-M306 VanDerWaalsContact CE1-CE 3.44Å; Y110-M306 HydrophobicContact CE1-SD 3.85Å; Y110-C337 HydrophobicContact CD1-CB 4.49Å; Y110-G340 VanDerWaalsContact CE2-O 3.3Å; Y110-G340 WeakPolarHBondContact CE2-O 3.26Å; Y110-L341 HydrophobicContact CD2-CD2 3.98Å; Y110-L341 HydrophobicContact CD2-CG 3.86Å; Y110-L341 HydrophobicContact CG-CG 4.35Å; Y110-L344 HydrophobicContact CD2-CD1 4.03Å; Y110-L344 HydrophobicContact CE2-CD1 3.59Å; Y110-L344 HydrophobicContact CE2-CG 4.05Å
111	A	98.5	Very high	97.3	Very high	21 Å²	21	73.1 Å²	73.1	17%	0.174	38%	0.375	C	S	.	.	H	α-helix	trans	-57.3	-44	173.8	0	0	0	0	0	111.7	L107 V108 L114 Q115 C125 F127	L107-A111 WeakPolarHBondContact O-CB 3.25Å; L107-A111 PolarHBondContact O-N 2.9Å; V108-A111 PolarHBondContact O-N 2.72Å; A111-L114 PolarHBondContact O-N 3.28Å; A111-Q115 WeakPolarHBondContact O-CB 3.47Å; A111-Q115 PolarHBondContact O-N 3.23Å; A111-C125 HydrophobicContact CB-CB 4.19Å; A111-F127 HydrophobicContact CB-CE2 4.11Å; A111-F127 HydrophobicContact CB-CZ 4.17Å
112	Q	98.5	Very high	97.6	Very high	128 Å²	128	66.3 Å²	66.3	60%	0.598	35%	0.349	S	S	*	.	H	α-helix	trans	-61.2	-47.5	176.9	-175.8	-176.8	33.7	0	0	112.1	V108 L109 Y110 Q115 A116	V108-Q112 WeakPolarHBondContact O-CB 3.43Å; V108-Q112 PolarHBondContact O-N 3.18Å; L109-Q112 PolarHBondContact O-N 3.39Å; Y110-Q112 VanDerWaalsContact C-N 3.3Å; Y110-Q112 PolarHBondContact O-N 3.28Å; Q112-Q115 PolarHBondContact O-N 3.28Å; Q112-A116 PolarHBondContact O-N 3.19Å
113	R	98.6	Very high	97.9	Very high	77 Å²	77	61.4 Å²	61.4	29%	0.291	33%	0.331	S	S	.	.	H	α-helix	trans	-64.5	-39.1	178.4	-74.3	-75.9	-64.2	-75.7	8.4	112.2	L109 Y110 L341 L344 D345 E348	L109-R113 WeakPolarHBondContact O-CG 3.5Å; L109-R113 PolarHBondContact O-N 2.97Å; Y110-R113 PolarHBondContact O-N 3.01Å; R113-L341 HydrophobicContact CG-CD2 4.12Å; R113-L344 HydrophobicContact CB-CD1 3.66Å; R113-D345 IonicContact CZ-OD1 3.66Å; R113-D345 IonicContact NH1-OD1 2.93Å; R113-D345 PolarHBondContact NH1-OD1 3.47Å; R113-D345 IonicContact NH2-OD1 2.61Å; R113-D345 PolarHBondContact NH2-OD1 3.14Å; R113-E348 IonicContact NH2-OE2 2.89Å; R113-E348 PolarHBondContact NH2-OE2 3.03Å
114	L	98.1	Very high	98.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-48.7	174.3	-78.1	176.5	0	0	0	111.5	Y110 A111 A116 T117 F127 F272 M296 I300 C308 L344	Y110-L114 HydrophobicContact CD1-CD1 3.98Å; Y110-L114 HydrophobicContact CD2-CG 4.44Å; Y110-L114 HydrophobicContact CE1-CD1 3.54Å; Y110-L114 HydrophobicContact CE1-CG 4.18Å; Y110-L114 HydrophobicContact CE2-CD1 4.3Å; Y110-L114 HydrophobicContact CE2-CD2 4.32Å; Y110-L114 HydrophobicContact CE2-CG 4.02Å; Y110-L114 PolarHBondContact O-N 3.41Å; A111-L114 PolarHBondContact O-N 3.28Å; L114-A116 VanDerWaalsContact C-N 3.26Å; L114-A116 PolarHBondContact O-N 2.94Å; L114-T117 PolarHBondContact O-N 3.36Å; L114-T117 PolarHBondContact O-OG1 2.87Å; L114-F127 HydrophobicContact CD1-CE1 3.82Å; L114-F127 HydrophobicContact CD1-CZ 4.15Å; L114-F272 HydrophobicContact CD2-CE1 3.92Å; L114-F272 HydrophobicContact CD2-CZ 3.93Å; L114-M296 HydrophobicContact CD1-SD 4.23Å; L114-M296 HydrophobicContact CD2-SD 4.08Å; L114-I300 HydrophobicContact CD1-CD1 4.46Å; L114-C308 HydrophobicContact CD1-CB 4.5Å; L114-L344 HydrophobicContact CD2-CD1 4.35Å
115	Q	97.4	Very high	98.1	Very high	71 Å²	71	54.3 Å²	54.3	33%	0.332	30%	0.298	S	S	.	.	H	α-helix	trans	-57.7	-39.6	178.8	-177.4	-176.5	-5.6	0	0	111.7	A111 Q112 T117 L118	A111-Q115 WeakPolarHBondContact O-CB 3.47Å; A111-Q115 PolarHBondContact O-N 3.23Å; Q112-Q115 PolarHBondContact O-N 3.28Å; Q115-T117 PolarHBondContact O-N 2.89Å; Q115-L118 PolarHBondContact O-N 2.98Å
116	A	98.2	Very high	98.1	Very high	84 Å²	84	50.9 Å²	50.9	69%	0.694	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-13	178.1	0	0	0	0	0	114.3	Q112 L114	Q112-A116 PolarHBondContact O-N 3.19Å; L114-A116 VanDerWaalsContact C-N 3.26Å; L114-A116 PolarHBondContact O-N 2.94Å
117	T	98.1	Very high	98.1	Very high	36 Å²	36	50.4 Å²	50.4	22%	0.221	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-6.6	175.2	72	0	0	0	0	113.7	L114 Q115 F279 W280	L114-T117 PolarHBondContact O-N 3.36Å; L114-T117 PolarHBondContact O-OG1 2.87Å; Q115-T117 PolarHBondContact O-N 2.89Å; T117-F279 HydrophobicContact CG2-CD1 4.13Å; T117-F279 HydrophobicContact CG2-CD2 4.42Å; T117-F279 HydrophobicContact CG2-CE1 3.87Å; T117-F279 HydrophobicContact CG2-CE2 4.2Å; T117-F279 HydrophobicContact CG2-CG 4.39Å; T117-F279 HydrophobicContact CG2-CZ 3.91Å; T117-W280 PolarHBondContact O-NE1 3.03Å; T117-W280 VanDerWaalsContact O-NE1 3.16Å; T117-W280 PolarHBondContact OG1-NE1 3.33Å
118	L	98.5	Very high	98.1	Very high	11 Å²	11	48.4 Å²	48.4	6%	0.058	26%	0.263	C	S	.	.	S	Bend	trans	-111.4	159.3	-174.6	-71.8	165.7	0	0	0	111	Q115 L122 W280 F282 V294 M296 V310	Q115-L118 PolarHBondContact O-N 2.98Å; L118-L122 HydrophobicContact CB-CB 4.21Å; L118-L122 HydrophobicContact CB-CD1 4.49Å; L118-L122 HydrophobicContact CD1-CB 4.44Å; L118-L122 HydrophobicContact CD2-CD1 4.14Å; L118-W280 VanDerWaalsContact CD2-CD1 3.44Å; L118-W280 HydrophobicContact CD2-CD2 4.1Å; L118-W280 HydrophobicContact CD2-CG 3.96Å; L118-W280 HydrophobicContact CD2-CZ2 4.4Å; L118-W280 HydrophobicContact CG-CZ2 4.47Å; L118-F282 HydrophobicContact CD2-CE1 3.95Å; L118-F282 HydrophobicContact CD2-CZ 4.06Å; L118-V294 HydrophobicContact CD2-CG2 4.35Å; L118-M296 HydrophobicContact CD1-CE 4.31Å; L118-V310 HydrophobicContact CD1-CB 3.77Å; L118-V310 HydrophobicContact CD1-CG1 3.65Å; L118-V310 HydrophobicContact CD1-CG2 3.77Å
119	P	97.9	Very high	98.1	Very high	32 Å²	32	45.8 Å²	45.8	21%	0.208	25%	0.247	C	C	.	.			trans	-54.8	142.1	167.1	-25.5	32.8	0	0	0	112.8	K121 L122 F282 V290	P119-K121 PolarHBondContact O-N 3.37Å; P119-L122 HydrophobicContact CG-CD1 4.49Å; P119-L122 WeakPolarHBondContact O-CB 3.48Å; P119-L122 PolarHBondContact O-N 3.17Å; P119-F282 HydrophobicContact CG-CE2 4.16Å; P119-F282 HydrophobicContact CG-CZ 4.16Å; P119-V290 HydrophobicContact CB-CB 4.46Å; P119-V290 HydrophobicContact CB-CG1 3.78Å; P119-V290 HydrophobicContact CB-CG2 3.83Å; P119-V290 HydrophobicContact CG-CG1 4.06Å; P119-V290 HydrophobicContact CG-CG2 3.94Å
120	D	97	Very high	98.1	Very high	151 Å²	151	43.7 Å²	43.7	81%	0.807	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-32.9	-173.1	-68	-14.1	0	0	0	114.9	L122	D120-L122 PolarHBondContact O-N 2.75Å
121	K	96.9	Very high	98.1	Very high	104 Å²	104	44.2 Å²	44.2	45%	0.452	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-32	179	-159.5	-166.2	179.8	-164.6	0	112	P119 S123 V290 D292 T312	P119-K121 PolarHBondContact O-N 3.37Å; K121-S123 PolarHBondContact O-N 3.31Å; K121-S123 PolarHBondContact O-OG 3.27Å; K121-V290 HydrophobicContact CB-CG1 4.43Å; K121-D292 IonicContact NZ-OD1 2.83Å; K121-D292 PolarHBondContact NZ-OD1 2.93Å; K121-T312 HydrophobicContact CD-CG2 3.78Å; K121-T312 HydrophobicContact CG-CG2 3.8Å; K121-T312 WeakPolarHBondContact O-CA 3.31Å
122	L	98.6	Very high	98.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	87.6	-179.3	-68.8	167.6	0	0	0	109.7	L118 P119 D120 V290 P291 V294 V310	L118-L122 HydrophobicContact CB-CB 4.21Å; L118-L122 HydrophobicContact CB-CD1 4.49Å; L118-L122 HydrophobicContact CD1-CB 4.44Å; L118-L122 HydrophobicContact CD2-CD1 4.14Å; P119-L122 HydrophobicContact CG-CD1 4.49Å; P119-L122 WeakPolarHBondContact O-CB 3.48Å; P119-L122 PolarHBondContact O-N 3.17Å; D120-L122 PolarHBondContact O-N 2.75Å; L122-V290 HydrophobicContact CD1-CG1 4.29Å; L122-V290 HydrophobicContact CG-CG1 4.42Å; L122-P291 HydrophobicContact CD1-CG 4.17Å; L122-V294 HydrophobicContact CD1-CG2 3.58Å; L122-V294 HydrophobicContact CD2-CG2 4.24Å; L122-V310 HydrophobicContact CB-CG1 3.95Å
123	S	98	Very high	98.1	Very high	29 Å²	29	40.6 Å²	40.6	20%	0.203	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	3.2	-161.4	54.2	0	0	0	0	114.9	K121 T311	K121-S123 PolarHBondContact O-N 3.31Å; K121-S123 PolarHBondContact O-OG 3.27Å; S123-T311 PolarHBondContact N-O 3.37Å
124	V	98.5	Very high	98.1	Very high	25 Å²	25	36.9 Å²	36.9	15%	0.152	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.2	-179.9	-174.6	0	0	0	0	110.5	Y126 V310 T311 R313 A316	V124-Y126 HydrophobicContact CG1-CE2 3.93Å; V124-V310 CarbonylContact O-C 3.54Å; V124-V310 VanDerWaalsContact O-CA 3.31Å; V124-V310 WeakPolarHBondContact O-CA 3.28Å; V124-T311 HydrophobicContact CB-CG2 4.35Å; V124-T311 PolarHBondContact N-O 3.04Å; V124-T311 PolarHBondContact O-N 2.85Å; V124-R313 HydrophobicContact CG2-CB 4.45Å; V124-A316 HydrophobicContact CB-CB 3.97Å; V124-A316 HydrophobicContact CG1-CB 3.71Å; V124-A316 HydrophobicContact CG2-CB 4Å
125	C	98.4	Very high	98.2	Very high	29 Å²	29	37 Å²	37	20%	0.196	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.7	-178.3	-59.6	0	0	0	0	111.4	A111 F127 V309	A111-C125 HydrophobicContact CB-CB 4.19Å; C125-F127 HydrophobicContact CB-CE2 4.14Å; C125-F127 HydrophobicContact CB-CZ 4.29Å; C125-V309 CarbonylContact C-O 3.5Å; C125-V309 WeakPolarHBondContact CA-O 3.34Å
126	Y	98.3	Very high	98.2	Very high	39 Å²	39	36 Å²	36	15%	0.153	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128	164	-63.3	-93.7	0	0	0	108.8	V124 L137 L141 C308 V309 T311 A316 F319 Y326	V124-Y126 HydrophobicContact CG1-CE2 3.93Å; Y126-L137 VanDerWaalsContact CB-CD2 3.47Å; Y126-L137 HydrophobicContact CD1-CD2 4.32Å; Y126-L137 HydrophobicContact CG-CD2 3.92Å; Y126-L141 HydrophobicContact CD2-CD1 4.33Å; Y126-L141 HydrophobicContact CE2-CD1 4.36Å; Y126-L141 HydrophobicContact CE2-CD2 4.17Å; Y126-C308 CarbonylContact O-C 3.51Å; Y126-C308 VanDerWaalsContact O-CA 3.25Å; Y126-C308 WeakPolarHBondContact O-CA 3.41Å; Y126-C308 PolarHBondContact O-SG 2.74Å; Y126-V309 PolarHBondContact N-O 2.97Å; Y126-V309 PolarHBondContact O-N 2.91Å; Y126-T311 HydrophobicContact CD2-CG2 4.38Å; Y126-T311 HydrophobicContact CE2-CG2 3.91Å; Y126-A316 HydrophobicContact CE2-CB 4.2Å; Y126-A316 WeakPolarHBondContact OH-CB 3.47Å; Y126-F319 HydrophobicContact CE1-CD1 4.41Å; Y126-Y326 AromaticContact CD1-CD1 3.97Å; Y126-Y326 HydrophobicContact CD1-CD1 3.97Å; Y126-Y326 HydrophobicContact CD1-CE1 4.32Å
127	F	98.3	Very high	98.2	Very high	18 Å²	18	32 Å²	32	8%	0.079	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	140.3	178.6	-66.1	-78	0	0	0	112.2	L107 Y110 A111 L114 C125 M306 C308 G331 G332	L107-F127 HydrophobicContact CD1-CD2 3.42Å; L107-F127 VanDerWaalsContact CD1-CD2 3.42Å; L107-F127 HydrophobicContact CD1-CE2 3.53Å; L107-F127 HydrophobicContact CD1-CG 4.38Å; Y110-F127 AromaticContact CD1-CE1 3.51Å; Y110-F127 HydrophobicContact CD1-CE1 3.51Å; Y110-F127 AromaticContact CD1-CZ 3.66Å; Y110-F127 HydrophobicContact CD1-CZ 3.66Å; Y110-F127 AromaticContact CE1-CE1 3.65Å; Y110-F127 HydrophobicContact CE1-CE1 3.65Å; Y110-F127 HydrophobicContact CE1-CZ 4.25Å; A111-F127 HydrophobicContact CB-CE2 4.11Å; A111-F127 HydrophobicContact CB-CZ 4.17Å; L114-F127 HydrophobicContact CD1-CE1 3.82Å; L114-F127 HydrophobicContact CD1-CZ 4.15Å; C125-F127 HydrophobicContact CB-CE2 4.14Å; C125-F127 HydrophobicContact CB-CZ 4.29Å; F127-M306 HydrophobicContact CD1-CE 3.63Å; F127-M306 HydrophobicContact CE1-CE 3.84Å; F127-M306 HydrophobicContact CG-CE 4.39Å; F127-C308 HydrophobicContact CD1-CB 3.84Å; F127-C308 HydrophobicContact CE1-CB 3.97Å; F127-G331 WeakPolarHBondContact O-CA 3.34Å; F127-G332 VanDerWaalsContact CB-CA 3.43Å; F127-G332 VanDerWaalsContact CB-N 3.27Å
128	V	98.3	Very high	98.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	-177.8	-178.5	-57.6	0	0	0	0	110	E133 A134 L137 M306 S307 Y326 N328	V128-E133 HydrophobicContact CB-CB 3.7Å; V128-E133 WeakPolarHBondContact CB-OE2 3.17Å; V128-E133 HydrophobicContact CG1-CB 4.32Å; V128-E133 HydrophobicContact CG2-CB 3.77Å; V128-A134 HydrophobicContact CG2-CB 3.75Å; V128-L137 HydrophobicContact CG1-CD2 4.1Å; V128-M306 CarbonylContact O-C 3.5Å; V128-S307 PolarHBondContact N-O 2.83Å; V128-S307 PolarHBondContact O-N 3.29Å; V128-S307 VanDerWaalsContact O-O 3.05Å; V128-Y326 WeakPolarHBondContact CG1-OH 3.35Å; V128-N328 WeakPolarHBondContact CA-ND2 3.24Å
129	N	97.9	Very high	98.3	Very high	28 Å²	28	29.8 Å²	29.8	15%	0.15	16%	0.162	C	C	.	.	S	Bend	trans	-100.5	-17.2	-169.8	-52	-63.3	0	0	0	114.1	E133 P305 M306 N328 F330 G331	N129-E133 WeakPolarHBondContact CB-OE2 3.47Å; N129-E133 PolarHBondContact N-OE2 3.02Å; N129-E133 PolarHBondContact ND2-OE1 3.08Å; N129-E133 PolarHBondContact ND2-OE2 2.99Å; N129-P305 CarbonylContact O-C 3.54Å; N129-M306 PolarHBondContact O-N 3.49Å; N129-N328 PolarHBondContact ND2-ND2 3.22Å; N129-N328 PolarHBondContact ND2-OD1 2.93Å; N129-F330 WeakPolarHBondContact OD1-CB 3.34Å; N129-F330 PolarHBondContact OD1-O 3.13Å; N129-G331 PolarHBondContact OD1-N 2.92Å
130	S	98.4	Very high	98.3	Very high	35 Å²	35	31.4 Å²	31.4	25%	0.245	16%	0.164	C	C	.	.	S	Bend	trans	-152.1	160.6	-177.3	73.2	0	0	0	0	112.6	S132 E133 A134 S307	S130-S132 PolarHBondContact O-N 2.9Å; S130-S132 PolarHBondContact OG-N 3.26Å; S130-E133 PolarHBondContact O-N 3.31Å; S130-E133 PolarHBondContact OG-N 2.83Å; S130-E133 VanDerWaalsContact OG-N 3.15Å; S130-A134 PolarHBondContact O-N 3.42Å; S130-S307 WeakPolarHBondContact CA-OG 3.4Å; S130-S307 VanDerWaalsContact O-CB 3.25Å; S130-S307 WeakPolarHBondContact O-CB 3.49Å; S130-S307 PolarHBondContact O-OG 3.05Å
131	G	98.3	Very high	98.4	Very high	11 Å²	11	24.2 Å²	24.2	11%	0.113	13%	0.125	C	C	.	.	H	α-helix	trans	-58.9	-32.7	174.5	0	0	0	0	0	112.1	A134 N135 S307	G131-A134 PolarHBondContact O-N 3.49Å; G131-N135 PolarHBondContact O-N 3.27Å; G131-S307 PolarHBondContact N-OG 2.87Å
132	S	98.5	Very high	98.5	Very high	8 Å²	8	19.3 Å²	19.3	6%	0.056	10%	0.104	C	C	.	.	H	α-helix	trans	-63.7	-44.8	172.5	-61.2	0	0	0	0	112	S130 A134 D136 G160 H161 L165	S130-S132 PolarHBondContact O-N 2.9Å; S130-S132 PolarHBondContact OG-N 3.26Å; S132-A134 PolarHBondContact O-N 2.76Å; S132-D136 WeakPolarHBondContact O-CB 3.49Å; S132-D136 PolarHBondContact O-N 2.83Å; S132-G160 WeakPolarHBondContact OG-CA 3.41Å; S132-H161 PolarHBondContact OG-CE1 3.01Å; S132-H161 VanDerWaalsContact OG-CE1 3.23Å; S132-H161 PolarHBondContact OG-N 3.44Å; S132-H161 PolarHBondContact OG-ND1 3.2Å; S132-L165 VanDerWaalsContact O-CD1 3.23Å; S132-L165 WeakPolarHBondContact O-CD1 3.32Å
133	E	98.6	Very high	98.4	Very high	64 Å²	64	22.5 Å²	22.5	30%	0.299	12%	0.116	S	C	.	.	H	α-helix	trans	-65.1	-33.1	175.6	-69.8	179.1	-161.6	0	0	111.6	V128 N129 S130 L137 N328	V128-E133 HydrophobicContact CB-CB 3.7Å; V128-E133 WeakPolarHBondContact CB-OE2 3.17Å; V128-E133 HydrophobicContact CG1-CB 4.32Å; V128-E133 HydrophobicContact CG2-CB 3.77Å; N129-E133 WeakPolarHBondContact CB-OE2 3.47Å; N129-E133 PolarHBondContact N-OE2 3.02Å; N129-E133 PolarHBondContact ND2-OE1 3.08Å; N129-E133 PolarHBondContact ND2-OE2 2.99Å; S130-E133 PolarHBondContact O-N 3.31Å; S130-E133 PolarHBondContact OG-N 2.83Å; S130-E133 VanDerWaalsContact OG-N 3.15Å; E133-L137 WeakPolarHBondContact O-CB 3.36Å; E133-L137 PolarHBondContact O-N 3.41Å; E133-N328 PolarHBondContact OE2-ND2 3.39Å
134	A	98.8	Very high	98.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.7	-47.6	178.3	0	0	0	0	0	111.6	V128 S130 G131 S132 L137 A138 T295 V309	V128-A134 HydrophobicContact CG2-CB 3.75Å; S130-A134 PolarHBondContact O-N 3.42Å; G131-A134 PolarHBondContact O-N 3.49Å; S132-A134 PolarHBondContact O-N 2.76Å; A134-L137 PolarHBondContact O-N 2.88Å; A134-A138 WeakPolarHBondContact O-CB 3.4Å; A134-A138 PolarHBondContact O-N 3.02Å; A134-T295 HydrophobicContact CB-CG2 4.39Å; A134-V309 HydrophobicContact CB-CG2 3.77Å; A134-V309 WeakPolarHBondContact O-CG2 3.31Å
135	N	98.8	Very high	98.4	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-66.5	-37.7	176.8	-76.2	-28.4	0	0	0	112.1	G131 A138 L139 H159 L165 D266 T295	G131-N135 PolarHBondContact O-N 3.27Å; N135-A138 PolarHBondContact O-N 3Å; N135-L139 WeakPolarHBondContact O-CG 3.36Å; N135-L139 PolarHBondContact O-N 3.41Å; N135-H159 PolarHBondContact ND2-O 3.41Å; N135-L165 HydrophobicContact CB-CD1 3.6Å; N135-L165 HydrophobicContact CB-CD2 3.76Å; N135-L165 HydrophobicContact CB-CG 4.37Å; N135-D266 PolarHBondContact ND2-OD2 3.17Å; N135-T295 VanDerWaalsContact OD1-CB 3.26Å; N135-T295 WeakPolarHBondContact OD1-CB 3.43Å; N135-T295 VanDerWaalsContact OD1-CG2 3.23Å; N135-T295 WeakPolarHBondContact OD1-CG2 3.34Å; N135-T295 PolarHBondContact OD1-OG1 3.07Å
136	D	98.6	Very high	98.4	Very high	50 Å²	50	27.3 Å²	27.3	27%	0.267	13%	0.13	S	C	.	.	H	α-helix	trans	-61.3	-45.6	173.3	-179.4	80.4	0	0	0	111.9	S132 A138 L139 R140 V162 S164	S132-D136 WeakPolarHBondContact O-CB 3.49Å; S132-D136 PolarHBondContact O-N 2.83Å; D136-A138 VanDerWaalsContact C-N 3.33Å; D136-A138 PolarHBondContact O-N 3.32Å; D136-L139 PolarHBondContact O-N 3.1Å; D136-R140 PolarHBondContact O-N 3.06Å; D136-V162 HydrophobicContact CB-CG2 4.1Å; D136-S164 WeakPolarHBondContact OD1-CB 3.18Å; D136-S164 PolarHBondContact OD1-OG 2.94Å
137	L	98.6	Very high	98.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-37.1	175.5	179.5	60.9	0	0	0	112	Y126 V128 E133 A134 L139 R140 L141 V309 F319 Y326	Y126-L137 VanDerWaalsContact CB-CD2 3.47Å; Y126-L137 HydrophobicContact CD1-CD2 4.32Å; Y126-L137 HydrophobicContact CG-CD2 3.92Å; V128-L137 HydrophobicContact CG1-CD2 4.1Å; E133-L137 WeakPolarHBondContact O-CB 3.36Å; E133-L137 PolarHBondContact O-N 3.41Å; A134-L137 PolarHBondContact O-N 2.88Å; L137-L139 VanDerWaalsContact C-N 3.33Å; L137-L139 PolarHBondContact O-N 3.15Å; L137-R140 HydrophobicContact CD1-CB 4.48Å; L137-R140 WeakPolarHBondContact O-CB 3.4Å; L137-R140 PolarHBondContact O-N 3.11Å; L137-L141 HydrophobicContact CD1-CG 4.36Å; L137-L141 HydrophobicContact CG-CD1 4.2Å; L137-L141 HydrophobicContact CG-CG 4.39Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.1Å; L137-L141 PolarHBondContact O-N 3.3Å; L137-V309 HydrophobicContact CB-CG2 4.12Å; L137-V309 HydrophobicContact CD2-CB 4.38Å; L137-V309 HydrophobicContact CD2-CG2 4.01Å; L137-V309 HydrophobicContact CG-CG2 4.25Å; L137-F319 HydrophobicContact CD1-CE1 4.11Å; L137-F319 HydrophobicContact CD1-CZ 3.77Å; L137-Y326 HydrophobicContact CD1-CD2 4.2Å; L137-Y326 HydrophobicContact CD1-CE1 4.49Å; L137-Y326 HydrophobicContact CD1-CE2 3.82Å; L137-Y326 HydrophobicContact CD2-CE1 3.9Å; L137-Y326 HydrophobicContact CD2-CE2 4.45Å
138	A	98.8	Very high	98.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.6	-40.3	175.7	0	0	0	0	0	112.2	A134 N135 D136 L141 A142 I264 I293 T295 V309	A134-A138 WeakPolarHBondContact O-CB 3.4Å; A134-A138 PolarHBondContact O-N 3.02Å; N135-A138 PolarHBondContact O-N 3Å; D136-A138 VanDerWaalsContact C-N 3.33Å; D136-A138 PolarHBondContact O-N 3.32Å; A138-L141 PolarHBondContact O-N 3.22Å; A138-A142 WeakPolarHBondContact O-CB 3.36Å; A138-A142 PolarHBondContact O-N 3.11Å; A138-I264 HydrophobicContact CB-CD1 4.2Å; A138-I264 HydrophobicContact CB-CG2 4.02Å; A138-I293 HydrophobicContact CB-CG2 3.82Å; A138-T295 HydrophobicContact CB-CG2 3.55Å; A138-V309 HydrophobicContact CB-CG1 4.39Å
139	L	98.6	Very high	98.3	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-44.7	172.8	-64.7	-175.9	0	0	0	111.7	N135 D136 L137 L141 A142 W143 I151 L165 I168 I264	N135-L139 WeakPolarHBondContact O-CG 3.36Å; N135-L139 PolarHBondContact O-N 3.41Å; D136-L139 PolarHBondContact O-N 3.1Å; L137-L139 VanDerWaalsContact C-N 3.33Å; L137-L139 PolarHBondContact O-N 3.15Å; L139-L141 VanDerWaalsContact C-N 3.33Å; L139-L141 PolarHBondContact O-N 2.79Å; L139-A142 PolarHBondContact O-N 2.89Å; L139-W143 HydrophobicContact CB-CD2 4.36Å; L139-W143 HydrophobicContact CB-CE3 4.17Å; L139-W143 HydrophobicContact CB-CH2 3.77Å; L139-W143 HydrophobicContact CB-CZ2 3.98Å; L139-W143 HydrophobicContact CB-CZ3 3.87Å; L139-W143 HydrophobicContact CD1-CH2 3.98Å; L139-W143 HydrophobicContact CD1-CZ2 4.15Å; L139-W143 WeakPolarHBondContact O-CB 3.38Å; L139-W143 VanDerWaalsContact O-CD2 3.24Å; L139-W143 VanDerWaalsContact O-CG 3.26Å; L139-W143 PolarHBondContact O-N 3.1Å; L139-I151 HydrophobicContact CD2-CD1 3.78Å; L139-I151 HydrophobicContact CD2-CG1 4.08Å; L139-I151 HydrophobicContact CD2-CG2 4.29Å; L139-L165 HydrophobicContact CD1-CD2 3.78Å; L139-L165 HydrophobicContact CG-CD2 4.44Å; L139-I168 HydrophobicContact CD1-CD1 3.94Å; L139-I168 HydrophobicContact CD2-CD1 4.21Å; L139-I168 HydrophobicContact CG-CD1 4.45Å; L139-I264 HydrophobicContact CD2-CD1 4.32Å
140	R	98.1	Very high	98.4	Very high	66 Å²	66	33.5 Å²	33.5	25%	0.249	18%	0.175	C	C	.	.	H	α-helix	trans	-57.8	-44.3	175.1	-77.6	168.1	41	102	-2.5	112.5	D136 L137 Q144 F319 M324	D136-R140 PolarHBondContact O-N 3.06Å; L137-R140 HydrophobicContact CD1-CB 4.48Å; L137-R140 WeakPolarHBondContact O-CB 3.4Å; L137-R140 PolarHBondContact O-N 3.11Å; R140-Q144 VanDerWaalsContact O-CB 3.25Å; R140-Q144 WeakPolarHBondContact O-CB 3.09Å; R140-Q144 PolarHBondContact O-N 3.02Å; R140-F319 HydrophobicContact CB-CE2 4.1Å; R140-F319 HydrophobicContact CB-CZ 4.47Å; R140-M324 PolarHBondContact NH1-SD 3.32Å; R140-M324 PolarHBondContact NH2-SD 2.89Å
141	L	98.7	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-48.2	176.3	-73.1	168.5	0	0	0	110.8	Y126 L137 A138 L139 Q144 Y145 I293 V309 T311 V315 F319	Y126-L141 HydrophobicContact CD2-CD1 4.33Å; Y126-L141 HydrophobicContact CE2-CD1 4.36Å; Y126-L141 HydrophobicContact CE2-CD2 4.17Å; L137-L141 HydrophobicContact CD1-CG 4.36Å; L137-L141 HydrophobicContact CG-CD1 4.2Å; L137-L141 HydrophobicContact CG-CG 4.39Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.1Å; L137-L141 PolarHBondContact O-N 3.3Å; A138-L141 PolarHBondContact O-N 3.22Å; L139-L141 VanDerWaalsContact C-N 3.33Å; L139-L141 PolarHBondContact O-N 2.79Å; L141-Q144 PolarHBondContact O-N 3.27Å; L141-Y145 WeakPolarHBondContact O-CB 3.37Å; L141-Y145 PolarHBondContact O-N 2.74Å; L141-I293 HydrophobicContact CB-CD1 3.9Å; L141-V309 HydrophobicContact CD1-CG1 3.76Å; L141-T311 HydrophobicContact CD1-CG2 4.27Å; L141-V315 HydrophobicContact CB-CG1 3.92Å; L141-V315 HydrophobicContact CD2-CG1 4.31Å; L141-F319 HydrophobicContact CD2-CB 3.62Å; L141-F319 HydrophobicContact CD2-CD1 3.74Å; L141-F319 HydrophobicContact CD2-CD2 3.91Å; L141-F319 HydrophobicContact CD2-CE1 4.19Å; L141-F319 HydrophobicContact CD2-CE2 4.38Å; L141-F319 HydrophobicContact CD2-CG 3.52Å; L141-F319 HydrophobicContact CD2-CZ 4.43Å
142	A	98.8	Very high	98.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63	-46.8	179.4	0	0	0	0	0	112.8	A138 L139 Q144 Y145 T146 A229 V262 I264 I293	A138-A142 WeakPolarHBondContact O-CB 3.36Å; A138-A142 PolarHBondContact O-N 3.11Å; L139-A142 PolarHBondContact O-N 2.89Å; A142-Q144 VanDerWaalsContact C-N 3.32Å; A142-Q144 PolarHBondContact O-N 2.77Å; A142-Y145 PolarHBondContact O-N 3.06Å; A142-T146 WeakPolarHBondContact O-CB 3.44Å; A142-T146 WeakPolarHBondContact O-CG2 2.96Å; A142-T146 PolarHBondContact O-N 3.39Å; A142-T146 PolarHBondContact O-OG1 3.34Å; A142-A229 HydrophobicContact CB-CB 3.89Å; A142-V262 HydrophobicContact CB-CG2 3.53Å; A142-I264 HydrophobicContact CB-CD1 4.18Å; A142-I293 HydrophobicContact CB-CD1 4.34Å
143	W	98.2	Very high	98.4	Very high	68 Å²	68	31 Å²	31	26%	0.258	16%	0.156	S	C	.	.	H	α-helix	trans	-60.4	-42.5	176.7	-69	-36	0	0	0	112.1	L139 G147 N148 K149 I151	L139-W143 HydrophobicContact CB-CD2 4.36Å; L139-W143 HydrophobicContact CB-CE3 4.17Å; L139-W143 HydrophobicContact CB-CH2 3.77Å; L139-W143 HydrophobicContact CB-CZ2 3.98Å; L139-W143 HydrophobicContact CB-CZ3 3.87Å; L139-W143 HydrophobicContact CD1-CH2 3.98Å; L139-W143 HydrophobicContact CD1-CZ2 4.15Å; L139-W143 WeakPolarHBondContact O-CB 3.38Å; L139-W143 VanDerWaalsContact O-CD2 3.24Å; L139-W143 VanDerWaalsContact O-CG 3.26Å; L139-W143 PolarHBondContact O-N 3.1Å; W143-G147 VanDerWaalsContact O-CA 3.3Å; W143-G147 WeakPolarHBondContact O-CA 3.23Å; W143-G147 PolarHBondContact O-N 3.04Å; W143-N148 VanDerWaalsContact CD1-O 3.24Å; W143-K149 PolarHBondContact NE1-O 2.84Å; W143-I151 HydrophobicContact CZ2-CG1 4.38Å
144	Q	98.1	Very high	98.4	Very high	84 Å²	84	28 Å²	28	39%	0.393	14%	0.142	S	C	.	.	H	α-helix	trans	-72	-39.5	-178.8	-175.8	55.1	33.1	0	0	112.3	R140 L141 A142 F319 S322	R140-Q144 VanDerWaalsContact O-CB 3.25Å; R140-Q144 WeakPolarHBondContact O-CB 3.09Å; R140-Q144 PolarHBondContact O-N 3.02Å; L141-Q144 PolarHBondContact O-N 3.27Å; A142-Q144 VanDerWaalsContact C-N 3.32Å; A142-Q144 PolarHBondContact O-N 2.77Å; Q144-F319 HydrophobicContact CB-CD2 3.85Å; Q144-F319 HydrophobicContact CG-CD2 3.92Å; Q144-S322 VanDerWaalsContact CD-CB 3.46Å; Q144-S322 VanDerWaalsContact NE2-CB 3.26Å
145	Y	98.5	Very high	98.3	Very high	72 Å²	72	32 Å²	32	28%	0.282	16%	0.161	S	C	.	.	H	α-helix	trans	-67.5	-44.8	179.1	174.3	-113.1	0	0	0	112.2	L141 A142 V262 E314 V315 A318	L141-Y145 WeakPolarHBondContact O-CB 3.37Å; L141-Y145 PolarHBondContact O-N 2.74Å; A142-Y145 PolarHBondContact O-N 3.06Å; Y145-V262 HydrophobicContact CD1-CG1 3.45Å; Y145-V262 VanDerWaalsContact CD1-CG1 3.45Å; Y145-V262 HydrophobicContact CE1-CG1 3.49Å; Y145-V262 VanDerWaalsContact CE1-CG1 3.49Å; Y145-E314 HydrophobicContact CE2-CG 3.77Å; Y145-E314 PolarHBondContact OH-OE1 2.98Å; Y145-E314 VanDerWaalsContact OH-OE1 3.06Å; Y145-E314 PolarHBondContact OH-OE2 2.63Å; Y145-V315 HydrophobicContact CD1-CG2 3.87Å; Y145-V315 HydrophobicContact CD2-CB 4.43Å; Y145-V315 HydrophobicContact CD2-CG2 4.04Å; Y145-V315 HydrophobicContact CE1-CG2 4.1Å; Y145-V315 HydrophobicContact CE2-CG2 4.3Å; Y145-V315 HydrophobicContact CG-CB 4.37Å; Y145-V315 HydrophobicContact CG-CG2 3.82Å; Y145-A318 HydrophobicContact CD2-CB 3.68Å; Y145-A318 HydrophobicContact CG-CB 4.49Å
146	T	98.4	Very high	98.2	Very high	28 Å²	28	33.6 Å²	33.6	17%	0.172	17%	0.17	C	C	.	.	H	α-helix	trans	-88.4	-22.6	-174.5	62.2	0	0	0	0	113.5	A142 N148 A228 G260 V262	A142-T146 WeakPolarHBondContact O-CB 3.44Å; A142-T146 WeakPolarHBondContact O-CG2 2.96Å; A142-T146 PolarHBondContact O-N 3.39Å; A142-T146 PolarHBondContact O-OG1 3.34Å; T146-N148 PolarHBondContact O-N 2.94Å; T146-N148 WeakPolarHBondContact OG1-CB 3.31Å; T146-N148 PolarHBondContact OG1-N 3.2Å; T146-N148 VanDerWaalsContact OG1-N 3.16Å; T146-A228 WeakPolarHBondContact CG2-O 3.39Å; T146-A228 WeakPolarHBondContact OG1-CA 3.35Å; T146-G260 WeakPolarHBondContact CG2-O 3.37Å; T146-V262 HydrophobicContact CG2-CG1 4.29Å
147	G	97.8	Very high	98.1	Very high	62 Å²	62	31.3 Å²	31.3	64%	0.639	16%	0.157	S	C	*	.			trans	70.3	0.5	-167.6	0	0	0	0	0	114.1	W143	W143-G147 VanDerWaalsContact O-CA 3.3Å; W143-G147 WeakPolarHBondContact O-CA 3.23Å; W143-G147 PolarHBondContact O-N 3.04Å
148	N	98.1	Very high	98.1	Very high	31 Å²	31	33.9 Å²	33.9	17%	0.166	17%	0.167	C	C	.	.			trans	-93.9	172.5	-175.4	-61.6	-29.6	0	0	0	111.1	W143 T146 K226 I227 A228	W143-N148 VanDerWaalsContact CD1-O 3.24Å; T146-N148 PolarHBondContact O-N 2.94Å; T146-N148 WeakPolarHBondContact OG1-CB 3.31Å; T146-N148 PolarHBondContact OG1-N 3.2Å; T146-N148 VanDerWaalsContact OG1-N 3.16Å; N148-K226 HydrophobicContact CB-CB 3.98Å; N148-K226 VanDerWaalsContact CG-CB 3.42Å; N148-K226 WeakPolarHBondContact OD1-CB 3.41Å; N148-I227 PolarHBondContact ND2-O 3.36Å; N148-A228 HydrophobicContact CB-CB 3.86Å
149	K	96.6	Very high	98.1	Very high	117 Å²	117	34 Å²	34	51%	0.509	17%	0.168	S	C	.	.			trans	-121.6	-34.2	-178.7	-66.6	-60.6	179.7	-167.9	0	114.4	W143 F184	W143-K149 PolarHBondContact NE1-O 2.84Å; K149-F184 HydrophobicContact CB-CD1 3.88Å; K149-F184 HydrophobicContact CB-CE1 4.35Å; K149-F184 HydrophobicContact CB-CG 4.29Å
150	D	98.5	Very high	98	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	134.2	-168.5	-65	47.5	0	0	0	112.1	F184 H186 H225 K226 I227 A228 A229	D150-F184 CarbonylContact C-O 3.51Å; D150-F184 WeakPolarHBondContact CA-O 3.34Å; D150-H186 IonicContact OD2-CD2 3.63Å; D150-H186 IonicContact OD2-CE1 3.78Å; D150-H186 IonicContact OD2-NE2 3.97Å; D150-H186 PolarHBondContact OD2-NE2 2.88Å; D150-H225 IonicContact OD1-ND1 3.02Å; D150-H225 WeakPolarHBondContact OD2-CB 3.45Å; D150-H225 IonicContact OD2-CE1 3.77Å; D150-H225 IonicContact OD2-CG 3.97Å; D150-H225 IonicContact OD2-ND1 3.48Å; D150-H225 PolarHBondContact OD2-ND1 2.69Å; D150-K226 VanDerWaalsContact CB-O 3.31Å; D150-K226 WeakPolarHBondContact CB-O 3.24Å; D150-K226 PolarHBondContact N-O 3.41Å; D150-I227 HydrophobicContact CB-CD1 3.88Å; D150-A228 PolarHBondContact O-N 2.81Å; D150-A229 PolarHBondContact O-N 3.04Å
151	I	98.7	Very high	97.8	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.3	177.7	-56.3	-63.1	0	0	0	108.9	L139 W143 I168 F184 V185 H186 A228 A229 I231	L139-I151 HydrophobicContact CD2-CD1 3.78Å; L139-I151 HydrophobicContact CD2-CG1 4.08Å; L139-I151 HydrophobicContact CD2-CG2 4.29Å; W143-I151 HydrophobicContact CZ2-CG1 4.38Å; I151-I168 HydrophobicContact CB-CG2 4.13Å; I151-I168 HydrophobicContact CG2-CG2 3.82Å; I151-F184 PolarHBondContact N-O 3.16Å; I151-V185 WeakPolarHBondContact O-CA 3.5Å; I151-H186 PolarHBondContact O-N 3.33Å; I151-A228 HydrophobicContact CD1-CB 3.98Å; I151-A229 WeakPolarHBondContact CA-O 3.28Å; I151-A229 HydrophobicContact CD1-CB 3.86Å; I151-I231 HydrophobicContact CG2-CG2 3.81Å
152	I	98.8	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.9	169.6	-50	176.9	0	0	0	107.9	H186 A188 V213 I216 I217 I227 A229 F230 I231	I152-H186 WeakPolarHBondContact CA-O 3.29Å; I152-H186 HydrophobicContact CG1-CB 4.27Å; I152-A188 HydrophobicContact CG2-CB 4.09Å; I152-V213 HydrophobicContact CD1-CG1 3.96Å; I152-V213 HydrophobicContact CG2-CG1 4.36Å; I152-I216 HydrophobicContact CD1-CG2 3.9Å; I152-I216 HydrophobicContact CG1-CG2 4.12Å; I152-I216 HydrophobicContact CG2-CG2 4.46Å; I152-I217 HydrophobicContact CD1-CD1 4.27Å; I152-I217 HydrophobicContact CD1-CG1 3.6Å; I152-I227 HydrophobicContact CD1-CD1 4.13Å; I152-I227 HydrophobicContact CD1-CG1 4.43Å; I152-I227 HydrophobicContact CD1-CG2 4.09Å; I152-I227 HydrophobicContact CG1-CD1 4.27Å; I152-I227 HydrophobicContact CG1-CG2 4.26Å; I152-A229 PolarHBondContact N-O 3.33Å; I152-F230 HydrophobicContact CB-CB 4.46Å; I152-F230 HydrophobicContact CB-CD2 3.91Å; I152-F230 HydrophobicContact CG2-CD2 3.75Å; I152-F230 HydrophobicContact CG2-CE2 4.23Å; I152-F230 WeakPolarHBondContact O-CA 3.5Å; I152-I231 PolarHBondContact O-N 3.25Å
153	T	98.8	Very high	97.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	171	174.7	-170.5	0	0	0	0	110.1	I168 P170 V185 H186 V187 A188	T153-I168 HydrophobicContact CG2-CB 4.39Å; T153-I168 PolarHBondContact OG1-O 2.97Å; T153-P170 HydrophobicContact CG2-CG 3.94Å; T153-V185 HydrophobicContact CG2-CG1 4.04Å; T153-H186 PolarHBondContact N-O 3.17Å; T153-V187 HydrophobicContact CG2-CG2 4.1Å; T153-V187 WeakPolarHBondContact O-CA 3.35Å; T153-A188 PolarHBondContact O-N 3.21Å
154	L	98.6	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	147.4	177.3	-63.3	178.8	0	0	0	112.1	N156 A157 P170 A188 P191 F230 A232 Y248	L154-N156 PolarHBondContact O-N 2.83Å; L154-A157 HydrophobicContact CB-CB 4.29Å; L154-A157 WeakPolarHBondContact O-CB 3.43Å; L154-A157 PolarHBondContact O-N 2.86Å; L154-A157 VanDerWaalsContact O-N 3.13Å; L154-P170 WeakPolarHBondContact O-CG 3.28Å; L154-A188 CarbonylContact C-O 3.58Å; L154-A188 WeakPolarHBondContact CA-O 3.47Å; L154-A188 HydrophobicContact CD2-CB 4.16Å; L154-P191 HydrophobicContact CD1-CG 4.42Å; L154-F230 HydrophobicContact CD1-CZ 4.43Å; L154-F230 HydrophobicContact CD2-CE2 3.94Å; L154-F230 HydrophobicContact CD2-CZ 3.84Å; L154-F230 HydrophobicContact CG-CE2 4.44Å; L154-F230 HydrophobicContact CG-CZ 4.08Å; L154-A232 HydrophobicContact CD1-CB 3.68Å; L154-A232 HydrophobicContact CG-CB 4.21Å; L154-Y248 WeakPolarHBondContact CD2-OH 3.35Å
155	E	97.1	Very high	97.1	Very high	85 Å²	85	38 Å²	38	40%	0.397	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	142.4	163.7	-71.5	178.3	160.2	0	0	110.4	A157 V187 A188 S190 Q236	E155-A157 PolarHBondContact O-N 3.35Å; E155-A157 VanDerWaalsContact O-N 3.07Å; E155-V187 HydrophobicContact CB-CG1 4.3Å; E155-V187 HydrophobicContact CG-CG1 3.63Å; E155-A188 PolarHBondContact N-O 3.21Å; E155-S190 PolarHBondContact OE2-N 2.76Å; E155-Q236 PolarHBondContact O-NE2 3.22Å
156	N	95.5	Very high	96.8	Very high	34 Å²	34	36.7 Å²	36.7	18%	0.182	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	11	-178.9	-44.1	-53.5	0	0	0	115.7	L154 G239	L154-N156 PolarHBondContact O-N 2.83Å; N156-G239 PolarHBondContact O-N 2.95Å
157	A	97.9	Very high	96.5	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	22%	0.218	C	C	.	.			trans	-67.6	151	174.5	0	0	0	0	0	112.5	L154 E155 S169 Y171	L154-A157 HydrophobicContact CB-CB 4.29Å; L154-A157 WeakPolarHBondContact O-CB 3.43Å; L154-A157 PolarHBondContact O-N 2.86Å; L154-A157 VanDerWaalsContact O-N 3.13Å; E155-A157 PolarHBondContact O-N 3.35Å; E155-A157 VanDerWaalsContact O-N 3.07Å; A157-S169 CarbonylContact O-C 3.53Å; A157-S169 WeakPolarHBondContact O-CA 3.47Å; A157-Y171 VanDerWaalsContact O-CB 3.29Å; A157-Y171 WeakPolarHBondContact O-CB 3.5Å; A157-Y171 PolarHBondContact O-N 3.38Å
158	Y	97.8	Very high	96.4	Very high	55 Å²	55	36 Å²	36	22%	0.216	19%	0.188	C	C	.	.			trans	-137.9	107.6	171	178.3	-103.5	0	0	0	111.3	G160 K172 E233	Y158-G160 WeakPolarHBondContact CE2-O 3.36Å; Y158-G160 PolarHBondContact OH-O 3.01Å; Y158-K172 HydrophobicContact CD2-CG 3.66Å; Y158-K172 HydrophobicContact CE2-CG 3.7Å; Y158-E233 PolarHBondContact N-OE2 2.97Å
159	H	98.1	Very high	96.3	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.019	18%	0.18	C	C	.	.			trans	-104.2	-11.8	-177.7	-67.6	-57.2	0	0	0	113.9	N135 L165 I168 S169 D266	N135-H159 PolarHBondContact ND2-O 3.41Å; H159-L165 WeakPolarHBondContact O-CD1 3.44Å; H159-I168 HydrophobicContact CB-CD1 4.09Å; H159-I168 PolarHBondContact CD2-O 3.06Å; H159-S169 PolarHBondContact N-OG 3.05Å; H159-D266 IonicContact CE1-OD2 3.94Å; H159-D266 IonicContact CG-OD2 3.8Å; H159-D266 IonicContact ND1-OD2 2.79Å; H159-D266 PolarHBondContact ND1-OD2 2.85Å
160	G	96.3	Very high	96.2	Very high	3 Å²	3	29 Å²	29	3%	0.031	16%	0.156	C	C	.	.			trans	155.9	-161.8	175.6	0	0	0	0	0	113.7	S132 Y158	S132-G160 WeakPolarHBondContact OG-CA 3.41Å; Y158-G160 WeakPolarHBondContact CE2-O 3.36Å; Y158-G160 PolarHBondContact OH-O 3.01Å
161	H	94.5	Very high	95.8	Very high	123 Å²	123	30.2 Å²	30.2	57%	0.569	16%	0.161	S	C	*	.	S	Bend	trans	-128.8	-5.1	-172.6	65.5	-100.1	0	0	0	114.7	S132	S132-H161 PolarHBondContact OG-CE1 3.01Å; S132-H161 VanDerWaalsContact OG-CE1 3.23Å; S132-H161 PolarHBondContact OG-N 3.44Å; S132-H161 PolarHBondContact OG-ND1 3.2Å
162	V	95.4	Very high	95.1	Very high	44 Å²	44	33.9 Å²	33.9	27%	0.267	18%	0.177	S	C	.	.	S	Bend	trans	-75.6	157.2	172.9	-60.3	0	0	0	0	109.4	D136 S164 L165 I166	D136-V162 HydrophobicContact CB-CG2 4.1Å; V162-S164 VanDerWaalsContact C-N 3.34Å; V162-S164 PolarHBondContact O-N 2.96Å; V162-L165 HydrophobicContact CG2-CB 4.17Å; V162-L165 HydrophobicContact CG2-CD1 3.67Å; V162-L165 HydrophobicContact CG2-CG 3.6Å; V162-L165 WeakPolarHBondContact O-CA 3.23Å; V162-L165 WeakPolarHBondContact O-CB 3.49Å; V162-L165 PolarHBondContact O-N 3.25Å; V162-I166 PolarHBondContact O-N 3.44Å; V162-I166 VanDerWaalsContact O-N 3.16Å
163	S	92.9	Very high	94.2	Very high	104 Å²	104	35 Å²	35	73%	0.727	18%	0.181	S	C	*	.	H	α-helix	trans	-53.3	-46.4	-168.2	-54	0	0	0	0	113.8	L165 I166	S163-L165 PolarHBondContact O-N 2.85Å; S163-L165 VanDerWaalsContact O-N 3.12Å; S163-I166 PolarHBondContact O-N 3.39Å
164	S	93.9	Very high	93.2	Very high	29 Å²	29	41.2 Å²	41.2	20%	0.203	21%	0.21	C	C	.	.	H	α-helix	trans	-58.1	-25.4	177.5	54.5	0	0	0	0	113.9	D136 V162	D136-S164 WeakPolarHBondContact OD1-CB 3.18Å; D136-S164 PolarHBondContact OD1-OG 2.94Å; V162-S164 VanDerWaalsContact C-N 3.34Å; V162-S164 PolarHBondContact O-N 2.96Å
165	L	96.5	Very high	92.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-96.8	-18.3	-176.8	-56.8	-174.6	0	0	0	113.4	S132 N135 L139 H159 V162 S163 D167 I168 S169	S132-L165 VanDerWaalsContact O-CD1 3.23Å; S132-L165 WeakPolarHBondContact O-CD1 3.32Å; N135-L165 HydrophobicContact CB-CD1 3.6Å; N135-L165 HydrophobicContact CB-CD2 3.76Å; N135-L165 HydrophobicContact CB-CG 4.37Å; L139-L165 HydrophobicContact CD1-CD2 3.78Å; L139-L165 HydrophobicContact CG-CD2 4.44Å; H159-L165 WeakPolarHBondContact O-CD1 3.44Å; V162-L165 HydrophobicContact CG2-CB 4.17Å; V162-L165 HydrophobicContact CG2-CD1 3.67Å; V162-L165 HydrophobicContact CG2-CG 3.6Å; V162-L165 WeakPolarHBondContact O-CA 3.23Å; V162-L165 WeakPolarHBondContact O-CB 3.49Å; V162-L165 PolarHBondContact O-N 3.25Å; S163-L165 PolarHBondContact O-N 2.85Å; S163-L165 VanDerWaalsContact O-N 3.12Å; L165-D167 VanDerWaalsContact C-N 3.3Å; L165-I168 HydrophobicContact CD2-CD1 3.82Å; L165-I168 HydrophobicContact CD2-CG1 4.18Å; L165-I168 PolarHBondContact O-N 3.11Å; L165-S169 WeakPolarHBondContact O-CB 3.43Å; L165-S169 PolarHBondContact O-N 3.07Å; L165-S169 PolarHBondContact O-OG 3.18Å
166	I	93.3	Very high	91.2	Very high	44 Å²	44	46.8 Å²	46.8	23%	0.226	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-45.1	172.7	-63.7	-57.6	0	0	0	109.3	V162 S163 I168 S169 F173 L176	V162-I166 PolarHBondContact O-N 3.44Å; V162-I166 VanDerWaalsContact O-N 3.16Å; S163-I166 PolarHBondContact O-N 3.39Å; I166-I168 VanDerWaalsContact C-N 3.27Å; I166-I168 PolarHBondContact O-N 2.92Å; I166-S169 PolarHBondContact O-N 3.39Å; I166-S169 VanDerWaalsContact O-N 3.1Å; I166-F173 HydrophobicContact CG2-CB 4.17Å; I166-F173 WeakPolarHBondContact O-CD1 3.23Å; I166-L176 HydrophobicContact CG2-CD1 4.19Å
167	D	91.1	Very high	89.5	Confident	72 Å²	72	50.4 Å²	50.4	39%	0.385	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-34.6	-178.4	-65.7	-10.7	0	0	0	112.9	L165 F173 V185	L165-D167 VanDerWaalsContact C-N 3.3Å; D167-F173 WeakPolarHBondContact O-CD1 3.23Å; D167-F173 VanDerWaalsContact O-CE1 3.25Å; D167-F173 WeakPolarHBondContact O-CE1 3.5Å; D167-V185 HydrophobicContact CB-CG2 4.09Å
168	I	95.4	Very high	87.9	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.015	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	12.1	179.8	63.8	153.9	0	0	0	113.6	L139 I151 T153 H159 L165 I166 P170 V185 I231	L139-I168 HydrophobicContact CD1-CD1 3.94Å; L139-I168 HydrophobicContact CD2-CD1 4.21Å; L139-I168 HydrophobicContact CG-CD1 4.45Å; I151-I168 HydrophobicContact CB-CG2 4.13Å; I151-I168 HydrophobicContact CG2-CG2 3.82Å; T153-I168 HydrophobicContact CG2-CB 4.39Å; T153-I168 PolarHBondContact OG1-O 2.97Å; H159-I168 HydrophobicContact CB-CD1 4.09Å; H159-I168 PolarHBondContact CD2-O 3.06Å; L165-I168 HydrophobicContact CD2-CD1 3.82Å; L165-I168 HydrophobicContact CD2-CG1 4.18Å; L165-I168 PolarHBondContact O-N 3.11Å; I166-I168 VanDerWaalsContact C-N 3.27Å; I166-I168 PolarHBondContact O-N 2.92Å; I168-P170 WeakPolarHBondContact O-CD 3.19Å; I168-V185 HydrophobicContact CG2-CG1 3.97Å; I168-V185 HydrophobicContact CG2-CG2 3.69Å; I168-I231 HydrophobicContact CD1-CD1 4Å; I168-I231 HydrophobicContact CD1-CG2 3.88Å
169	S	96.1	Very high	86.3	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.315	C	S	.	.			trans	-116.8	78.8	177.6	-62.4	0	0	0	0	111.8	A157 H159 L165 I166 Y171 K172 F173	A157-S169 CarbonylContact O-C 3.53Å; A157-S169 WeakPolarHBondContact O-CA 3.47Å; H159-S169 PolarHBondContact N-OG 3.05Å; L165-S169 WeakPolarHBondContact O-CB 3.43Å; L165-S169 PolarHBondContact O-N 3.07Å; L165-S169 PolarHBondContact O-OG 3.18Å; I166-S169 PolarHBondContact O-N 3.39Å; I166-S169 VanDerWaalsContact O-N 3.1Å; S169-Y171 PolarHBondContact O-N 3.08Å; S169-K172 PolarHBondContact O-N 2.77Å; S169-F173 VanDerWaalsContact C-CD1 3.44Å; S169-F173 WeakPolarHBondContact O-CD1 3.4Å; S169-F173 PolarHBondContact O-N 3.43Å; S169-F173 VanDerWaalsContact O-N 3.15Å
170	P	93.9	Very high	84.9	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-53.2	-27.3	-179.6	-26.5	34.6	0	0	0	115	T153 L154 I168 K172 F173 H174 V187	T153-P170 HydrophobicContact CG2-CG 3.94Å; L154-P170 WeakPolarHBondContact O-CG 3.28Å; I168-P170 WeakPolarHBondContact O-CD 3.19Å; P170-K172 PolarHBondContact O-N 2.83Å; P170-F173 VanDerWaalsContact CA-CD1 3.44Å; P170-F173 HydrophobicContact CB-CD1 4.42Å; P170-F173 HydrophobicContact CB-CE1 3.71Å; P170-F173 HydrophobicContact CB-CZ 3.88Å; P170-F173 HydrophobicContact CG-CD1 4.47Å; P170-F173 HydrophobicContact CG-CE1 3.52Å; P170-F173 HydrophobicContact CG-CZ 3.91Å; P170-F173 VanDerWaalsContact N-CE1 3.33Å; P170-H174 PolarHBondContact O-ND1 2.86Å; P170-V187 HydrophobicContact CG-CG1 3.88Å; P170-V187 HydrophobicContact CG-CG2 4.01Å
171	Y	90.4	Very high	83.9	Confident	31 Å²	31	71.6 Å²	71.6	12%	0.122	38%	0.381	C	S	.	.	H	α-helix	trans	-59.2	-28.2	174.1	-171.1	-103.8	0	0	0	113.3	A157 S169 Q175 C238	A157-Y171 VanDerWaalsContact O-CB 3.29Å; A157-Y171 WeakPolarHBondContact O-CB 3.5Å; A157-Y171 PolarHBondContact O-N 3.38Å; S169-Y171 PolarHBondContact O-N 3.08Å; Y171-Q175 PolarHBondContact O-NE2 3.06Å; Y171-C238 HydrophobicContact CD1-CB 3.75Å; Y171-C238 HydrophobicContact CD2-CB 4.08Å; Y171-C238 HydrophobicContact CE1-CB 3.85Å; Y171-C238 HydrophobicContact CE2-CB 4.19Å; Y171-C238 WeakPolarHBondContact CE2-O 3.44Å; Y171-C238 HydrophobicContact CG-CB 3.87Å
172	K	85.3	Confident	83.4	Confident	79 Å²	79	67.2 Å²	67.2	34%	0.343	37%	0.365	S	S	.	.	H	α-helix	trans	-105.4	-45.7	-177.6	-73.9	-66.2	-176.7	178.2	0	113.7	Y158 S169 P170 H174 Q175	Y158-K172 HydrophobicContact CD2-CG 3.66Å; Y158-K172 HydrophobicContact CE2-CG 3.7Å; S169-K172 PolarHBondContact O-N 2.77Å; P170-K172 PolarHBondContact O-N 2.83Å; K172-H174 VanDerWaalsContact C-N 3.3Å; K172-H174 PolarHBondContact O-N 2.87Å; K172-Q175 VanDerWaalsContact O-CB 3.23Å; K172-Q175 WeakPolarHBondContact O-CB 3.43Å; K172-Q175 WeakPolarHBondContact O-CG 3.39Å; K172-Q175 PolarHBondContact O-N 3.07Å
173	F	79.9	Confident	83.1	Confident	23 Å²	23	72.5 Å²	72.5	10%	0.101	39%	0.386	C	S	.	.	H	α-helix	trans	-70.2	-26.6	-173.1	74.4	-109.6	0	0	0	113.1	I166 D167 S169 P170 Q175 L176 V187	I166-F173 HydrophobicContact CG2-CB 4.17Å; I166-F173 WeakPolarHBondContact O-CD1 3.23Å; D167-F173 WeakPolarHBondContact O-CD1 3.23Å; D167-F173 VanDerWaalsContact O-CE1 3.25Å; D167-F173 WeakPolarHBondContact O-CE1 3.5Å; S169-F173 VanDerWaalsContact C-CD1 3.44Å; S169-F173 WeakPolarHBondContact O-CD1 3.4Å; S169-F173 PolarHBondContact O-N 3.43Å; S169-F173 VanDerWaalsContact O-N 3.15Å; P170-F173 VanDerWaalsContact CA-CD1 3.44Å; P170-F173 HydrophobicContact CB-CD1 4.42Å; P170-F173 HydrophobicContact CB-CE1 3.71Å; P170-F173 HydrophobicContact CB-CZ 3.88Å; P170-F173 HydrophobicContact CG-CD1 4.47Å; P170-F173 HydrophobicContact CG-CE1 3.52Å; P170-F173 HydrophobicContact CG-CZ 3.91Å; P170-F173 VanDerWaalsContact N-CE1 3.33Å; F173-Q175 PolarHBondContact O-N 3.47Å; F173-L176 HydrophobicContact CB-CD1 4.47Å; F173-L176 WeakPolarHBondContact O-CB 2.99Å; F173-L176 PolarHBondContact O-N 3.19Å; F173-V187 HydrophobicContact CZ-CG2 4.21Å
174	H	77.6	Confident	83.2	Confident	131 Å²	131	72.1 Å²	72.1	61%	0.606	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-12	169.8	-67.5	162.8	0	0	0	113.7	P170 K172 L176	P170-H174 PolarHBondContact O-ND1 2.86Å; K172-H174 VanDerWaalsContact C-N 3.3Å; K172-H174 PolarHBondContact O-N 2.87Å; H174-L176 VanDerWaalsContact C-N 3.33Å
175	Q	77.1	Confident	83.3	Confident	107 Å²	107	71.3 Å²	71.3	50%	0.5	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-6.8	174.3	-52.2	178.2	17.2	0	0	112.4	Y171 K172 F173	Y171-Q175 PolarHBondContact O-NE2 3.06Å; K172-Q175 VanDerWaalsContact O-CB 3.23Å; K172-Q175 WeakPolarHBondContact O-CB 3.43Å; K172-Q175 WeakPolarHBondContact O-CG 3.39Å; K172-Q175 PolarHBondContact O-N 3.07Å; F173-Q175 PolarHBondContact O-N 3.47Å
176	L	75.9	Confident	83.4	Confident	95 Å²	95	73.1 Å²	73.1	50%	0.497	37%	0.374	S	S	.	.			trans	-93.3	116.6	175.4	-56.6	174.4	0	0	0	107.8	I166 F173 H174 D178 A179	I166-L176 HydrophobicContact CG2-CD1 4.19Å; F173-L176 HydrophobicContact CB-CD1 4.47Å; F173-L176 WeakPolarHBondContact O-CB 2.99Å; F173-L176 PolarHBondContact O-N 3.19Å; H174-L176 VanDerWaalsContact C-N 3.33Å; L176-D178 PolarHBondContact O-N 3.48Å; L176-A179 HydrophobicContact CB-CB 3.79Å; L176-A179 HydrophobicContact CD1-CB 3.99Å
177	S	59.8	Low	83.6	Confident	111 Å²	111	73 Å²	73	78%	0.776	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.1	-174.8	46.5	0	0	0	0	114.4
178	D	65.3	Low	83.9	Confident	144 Å²	144	69.5 Å²	69.5	77%	0.77	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.5	19.1	-166.4	-53.6	-70	0	0	0	113.6	L176 E180	L176-D178 PolarHBondContact O-N 3.48Å; D178-E180 PolarHBondContact O-N 3.49Å
179	A	63.9	Low	84.1	Confident	56 Å²	56	70.2 Å²	70.2	46%	0.463	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-78.1	118.2	178.8	0	0	0	0	0	110.6	L176 Q181	L176-A179 HydrophobicContact CB-CB 3.79Å; L176-A179 HydrophobicContact CD1-CB 3.99Å; A179-Q181 PolarHBondContact O-N 2.91Å
180	E	68.4	Low	84.2	Confident	192 Å²	192	70.4 Å²	70.4	90%	0.897	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-62.2	119.5	166.3	-71.4	-172.6	159.8	0	0	108.8	D178 S182	D178-E180 PolarHBondContact O-N 3.49Å; E180-S182 PolarHBondContact O-N 3.4Å
181	Q	74.3	Confident	84.4	Confident	116 Å²	116	70.4 Å²	70.4	54%	0.542	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-63.7	128.9	177	-174.7	176.9	-4	0	0	109.4	A179 Q183 V185	A179-Q181 PolarHBondContact O-N 2.91Å; Q181-Q183 PolarHBondContact O-N 2.84Å; Q181-V185 PolarHBondContact NE2-O 3.48Å
182	S	84.6	Confident	84.8	Confident	31 Å²	31	69.8 Å²	69.8	22%	0.217	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-54.6	127.1	175	177	0	0	0	0	110.6	E180 F184 V185	E180-S182 PolarHBondContact O-N 3.4Å; S182-F184 PolarHBondContact O-N 3.38Å; S182-F184 VanDerWaalsContact O-N 3.08Å; S182-F184 PolarHBondContact OG-N 2.83Å; S182-V185 PolarHBondContact O-N 3.13Å; S182-V185 VanDerWaalsContact O-N 3.09Å
183	Q	89.3	Confident	85.4	Confident	154 Å²	154	68.6 Å²	68.6	72%	0.72	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.4	177.7	-64.4	-178.1	-13.4	0	0	113.1	Q181	Q181-Q183 PolarHBondContact O-N 2.84Å
184	F	95.1	Very high	86.2	Confident	97 Å²	97	69.1 Å²	69.1	43%	0.425	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	5.9	179	-53.4	-70.6	0	0	0	112.8	K149 D150 I151 S182	K149-F184 HydrophobicContact CB-CD1 3.88Å; K149-F184 HydrophobicContact CB-CE1 4.35Å; K149-F184 HydrophobicContact CB-CG 4.29Å; D150-F184 CarbonylContact C-O 3.51Å; D150-F184 WeakPolarHBondContact CA-O 3.34Å; I151-F184 PolarHBondContact N-O 3.16Å; S182-F184 PolarHBondContact O-N 3.38Å; S182-F184 VanDerWaalsContact O-N 3.08Å; S182-F184 PolarHBondContact OG-N 2.83Å
185	V	96.8	Very high	87	Confident	11 Å²	11	65.1 Å²	65.1	7%	0.067	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.1	176.9	179.7	0	0	0	0	110.9	I151 T153 D167 I168 Q181 S182	I151-V185 WeakPolarHBondContact O-CA 3.5Å; T153-V185 HydrophobicContact CG2-CG1 4.04Å; D167-V185 HydrophobicContact CB-CG2 4.09Å; I168-V185 HydrophobicContact CG2-CG1 3.97Å; I168-V185 HydrophobicContact CG2-CG2 3.69Å; Q181-V185 PolarHBondContact NE2-O 3.48Å; S182-V185 PolarHBondContact O-N 3.13Å; S182-V185 VanDerWaalsContact O-N 3.09Å
186	H	97.6	Very high	88	Confident	39 Å²	39	61 Å²	61	18%	0.181	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.9	175.6	-50.1	-82.4	0	0	0	109.8	D150 I151 I152 T153 I216	D150-H186 IonicContact OD2-CD2 3.63Å; D150-H186 IonicContact OD2-CE1 3.78Å; D150-H186 IonicContact OD2-NE2 3.97Å; D150-H186 PolarHBondContact OD2-NE2 2.88Å; I151-H186 PolarHBondContact O-N 3.33Å; I152-H186 WeakPolarHBondContact CA-O 3.29Å; I152-H186 HydrophobicContact CG1-CB 4.27Å; T153-H186 PolarHBondContact N-O 3.17Å; H186-I216 HydrophobicContact CB-CG2 3.46Å; H186-I216 VanDerWaalsContact CB-CG2 3.46Å
187	V	97.6	Very high	89	Confident	40 Å²	40	62.1 Å²	62.1	24%	0.242	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.8	-178.8	-174.6	0	0	0	0	108.7	T153 E155 P170 F173	T153-V187 HydrophobicContact CG2-CG2 4.1Å; T153-V187 WeakPolarHBondContact O-CA 3.35Å; E155-V187 HydrophobicContact CB-CG1 4.3Å; E155-V187 HydrophobicContact CG-CG1 3.63Å; P170-V187 HydrophobicContact CG-CG1 3.88Å; P170-V187 HydrophobicContact CG-CG2 4.01Å; F173-V187 HydrophobicContact CZ-CG2 4.21Å
188	A	98.6	Very high	90.8	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	148.4	173	0	0	0	0	0	110.7	I152 T153 L154 E155 S190 V213 I216	I152-A188 HydrophobicContact CG2-CB 4.09Å; T153-A188 PolarHBondContact O-N 3.21Å; L154-A188 CarbonylContact C-O 3.58Å; L154-A188 WeakPolarHBondContact CA-O 3.47Å; L154-A188 HydrophobicContact CD2-CB 4.16Å; E155-A188 PolarHBondContact N-O 3.21Å; A188-S190 PolarHBondContact O-N 2.83Å; A188-V213 HydrophobicContact CB-CG2 3.81Å; A188-I216 HydrophobicContact CB-CD1 3.68Å
189	P	98.4	Very high	92.3	Very high	18 Å²	18	56.8 Å²	56.8	12%	0.117	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-54.4	139.5	176.6	-26.6	36	0	0	0	112.4	K197 Y209 E212	P189-K197 HydrophobicContact CG-CD 4.47Å; P189-Y209 HydrophobicContact CB-CD1 4.14Å; P189-Y209 HydrophobicContact CB-CE1 3.94Å; P189-E212 HydrophobicContact CG-CB 4.2Å; P189-E212 HydrophobicContact CG-CG 4.05Å
190	S	98.1	Very high	93.8	Very high	4 Å²	4	58.3 Å²	58.3	3%	0.028	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-64	130.3	173.5	172.3	0	0	0	0	109.3	E155 A188 D192 Y209 Q236	E155-S190 PolarHBondContact OE2-N 2.76Å; A188-S190 PolarHBondContact O-N 2.83Å; S190-D192 PolarHBondContact O-N 2.78Å; S190-Y209 WeakPolarHBondContact O-CE1 3.37Å; S190-Y209 PolarHBondContact O-OH 3.3Å; S190-Q236 PolarHBondContact OG-OE1 2.83Å
191	P	98.3	Very high	95.1	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.			trans	-77.3	51.4	-178.6	34.9	-38.2	0	0	0	112	L154 Y209 P244 Y248	L154-P191 HydrophobicContact CD1-CG 4.42Å; P191-Y209 HydrophobicContact CB-CD1 4.38Å; P191-Y209 HydrophobicContact CB-CD2 3.97Å; P191-Y209 HydrophobicContact CB-CE2 4.37Å; P191-Y209 HydrophobicContact CB-CG 3.99Å; P191-P244 HydrophobicContact CB-CB 4.35Å; P191-P244 HydrophobicContact CG-CB 3.86Å; P191-P244 HydrophobicContact CG-CG 4Å; P191-Y248 HydrophobicContact CB-CD1 4.24Å; P191-Y248 HydrophobicContact CB-CE1 4.08Å; P191-Y248 HydrophobicContact CB-CE2 4.43Å; P191-Y248 HydrophobicContact CB-CG 4.45Å; P191-Y248 HydrophobicContact CG-CD1 4.15Å; P191-Y248 HydrophobicContact CG-CE1 3.77Å
192	D	98.3	Very high	96.2	Very high	18 Å²	18	53.7 Å²	53.7	10%	0.096	28%	0.277	C	S	.	.			trans	-89	105.9	179.8	177.3	3	0	0	0	111.3	S190 Y194 R195 G196 Y209 V242	S190-D192 PolarHBondContact O-N 2.78Å; D192-Y194 PolarHBondContact O-N 3.46Å; D192-Y194 WeakPolarHBondContact OD1-CA 3.29Å; D192-Y194 WeakPolarHBondContact OD1-CB 3.44Å; D192-Y194 PolarHBondContact OD1-N 2.92Å; D192-R195 PolarHBondContact OD1-N 3.01Å; D192-R195 WeakPolarHBondContact OD2-CB 3.28Å; D192-G196 WeakPolarHBondContact O-CA 3.09Å; D192-G196 PolarHBondContact O-N 2.9Å; D192-Y209 PolarHBondContact O-OH 2.85Å; D192-V242 HydrophobicContact CB-CG1 3.89Å; D192-V242 HydrophobicContact CB-CG2 4.1Å
193	V	97.9	Very high	96.8	Very high	53 Å²	53	58.4 Å²	58.4	32%	0.321	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-3	179.6	-62.7	0	0	0	0	114.6	R199 A200 A205 P245	V193-R199 CarbonylContact O-C 3.58Å; V193-R199 WeakPolarHBondContact O-CA 3.36Å; V193-A200 PolarHBondContact O-N 3.23Å; V193-A205 HydrophobicContact CG1-CB 4.04Å; V193-P245 HydrophobicContact CG1-CG 3.6Å
194	Y	97.8	Very high	97.2	Very high	35 Å²	35	54.8 Å²	54.8	14%	0.137	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-53.5	173.9	179.6	-114.8	0	0	0	111.6	D192 R199 G378 D379 E390 V392 L398	D192-Y194 PolarHBondContact O-N 3.46Å; D192-Y194 WeakPolarHBondContact OD1-CA 3.29Å; D192-Y194 WeakPolarHBondContact OD1-CB 3.44Å; D192-Y194 PolarHBondContact OD1-N 2.92Å; Y194-R199 WeakPolarHBondContact O-CD 3.18Å; Y194-G378 VanDerWaalsContact OH-C 3.31Å; Y194-G378 VanDerWaalsContact OH-CA 3.24Å; Y194-G378 WeakPolarHBondContact OH-CA 3.48Å; Y194-D379 HydrophobicContact CD1-CB 3.9Å; Y194-D379 HydrophobicContact CD2-CB 3.7Å; Y194-D379 HydrophobicContact CE1-CB 3.82Å; Y194-D379 HydrophobicContact CE2-CB 3.63Å; Y194-D379 HydrophobicContact CG-CB 3.82Å; Y194-E390 WeakPolarHBondContact CD1-OE2 3.45Å; Y194-E390 HydrophobicContact CE1-CB 4.43Å; Y194-E390 VanDerWaalsContact CE1-CD 3.46Å; Y194-E390 HydrophobicContact CE1-CG 4.09Å; Y194-E390 WeakPolarHBondContact CE1-OE2 3.25Å; Y194-V392 HydrophobicContact CE1-CG1 4.42Å; Y194-L398 HydrophobicContact CE1-CD1 4.44Å; Y194-L398 HydrophobicContact CE1-CD2 4.38Å; Y194-L398 HydrophobicContact CE2-CD1 4.48Å; Y194-L398 HydrophobicContact CE2-CD2 3.88Å; Y194-L398 VanDerWaalsContact O-CD1 3.29Å; Y194-L398 WeakPolarHBondContact O-CD1 3.43Å; Y194-L398 WeakPolarHBondContact OH-CD2 3.22Å
195	R	95	Very high	97.3	Very high	46 Å²	46	50.7 Å²	50.7	17%	0.174	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-22.9	-174.2	180	178.6	-63.2	-72.5	-3.5	114.3	D192 E390 L398	D192-R195 PolarHBondContact OD1-N 3.01Å; D192-R195 WeakPolarHBondContact OD2-CB 3.28Å; R195-E390 IonicContact CZ-OE1 3.45Å; R195-E390 VanDerWaalsContact CZ-OE1 3.27Å; R195-E390 IonicContact NE-OE1 3.29Å; R195-E390 PolarHBondContact NE-OE1 3.06Å; R195-E390 IonicContact NH2-OE1 3.03Å; R195-E390 PolarHBondContact NH2-OE1 2.89Å; R195-L398 PolarHBondContact NH1-O 2.94Å; R195-L398 PolarHBondContact NH2-O 2.98Å
196	G	96.5	Very high	97.4	Very high	21 Å²	21	50.6 Å²	50.6	22%	0.216	28%	0.277	C	S	.	.	S	Bend	trans	-67.2	-175.7	-171.8	0	0	0	0	0	114.3	D192 Y198 R199 Y209	D192-G196 WeakPolarHBondContact O-CA 3.09Å; D192-G196 PolarHBondContact O-N 2.9Å; G196-Y198 VanDerWaalsContact C-N 3.31Å; G196-Y198 PolarHBondContact O-N 3.34Å; G196-R199 WeakPolarHBondContact O-CG 3.29Å; G196-Y209 VanDerWaalsContact C-OH 3.27Å; G196-Y209 WeakPolarHBondContact CA-OH 3.32Å
197	K	97.8	Very high	97.5	Very high	118 Å²	118	50.5 Å²	50.5	51%	0.513	28%	0.279	S	S	.	.	S	Bend	trans	-55.9	-40.9	-176.9	-168.8	-179.4	-175.9	-170.6	0	113.2	P189 Y209 E212	P189-K197 HydrophobicContact CG-CD 4.47Å; K197-Y209 HydrophobicContact CB-CE1 4.1Å; K197-Y209 PolarHBondContact N-OH 3.41Å; K197-E212 IonicContact NZ-OE1 3.92Å; K197-E212 PolarHBondContact NZ-OE1 3.32Å; K197-E212 IonicContact NZ-OE2 3.42Å; K197-E212 PolarHBondContact NZ-OE2 3.07Å
198	Y	98.3	Very high	97.5	Very high	45 Å²	45	49.2 Å²	49.2	18%	0.176	27%	0.273	C	S	.	.	S	Bend	trans	-119.2	109.2	178.3	-51	-69.2	0	0	0	109.4	G196 H202 A208 Y209 E212	G196-Y198 VanDerWaalsContact C-N 3.31Å; G196-Y198 PolarHBondContact O-N 3.34Å; Y198-H202 AromaticContact CD1-CD2 3.65Å; Y198-H202 AromaticContact CD1-NE2 3.83Å; Y198-A208 HydrophobicContact CD1-CB 3.92Å; Y198-A208 HydrophobicContact CD2-CB 3.66Å; Y198-A208 HydrophobicContact CE1-CB 3.99Å; Y198-A208 HydrophobicContact CE2-CB 3.76Å; Y198-A208 WeakPolarHBondContact CE2-O 3.31Å; Y198-A208 HydrophobicContact CG-CB 3.76Å; Y198-Y209 AromaticContact CD2-CD1 3.69Å; Y198-Y209 HydrophobicContact CD2-CD1 3.69Å; Y198-Y209 AromaticContact CD2-CD2 3.89Å; Y198-Y209 HydrophobicContact CD2-CD2 3.89Å; Y198-Y209 AromaticContact CD2-CE1 3.72Å; Y198-Y209 HydrophobicContact CD2-CE1 3.72Å; Y198-Y209 AromaticContact CD2-CE2 3.92Å; Y198-Y209 HydrophobicContact CD2-CE2 3.92Å; Y198-Y209 AromaticContact CD2-CG 3.77Å; Y198-Y209 HydrophobicContact CD2-CG 3.77Å; Y198-Y209 AromaticContact CD2-CZ 3.84Å; Y198-Y209 HydrophobicContact CE2-CD1 4.17Å; Y198-Y209 HydrophobicContact CE2-CE1 4.39Å; Y198-Y209 HydrophobicContact CE2-CG 4.46Å; Y198-Y209 HydrophobicContact CG-CE2 4.29Å; Y198-Y209 PolarHBondContact N-OH 2.89Å; Y198-Y209 VanDerWaalsContact N-OH 3.09Å; Y198-Y209 VanDerWaalsContact O-CE2 3.28Å; Y198-Y209 WeakPolarHBondContact O-CE2 3.42Å; Y198-Y209 PolarHBondContact O-OH 2.77Å; Y198-E212 HydrophobicContact CE2-CG 3.98Å; Y198-E212 PolarHBondContact OH-OE1 2.99Å
199	R	96.9	Very high	97.5	Very high	98 Å²	98	49.3 Å²	49.3	37%	0.37	27%	0.273	S	S	.	.			trans	-91.9	179.7	-173.7	-63.5	-178.6	-175.9	-178.8	-2.2	112	V193 Y194 G196 D201 H202	V193-R199 CarbonylContact O-C 3.58Å; V193-R199 WeakPolarHBondContact O-CA 3.36Å; Y194-R199 WeakPolarHBondContact O-CD 3.18Å; G196-R199 WeakPolarHBondContact O-CG 3.29Å; R199-D201 WeakPolarHBondContact CB-OD1 3.5Å; R199-D201 PolarHBondContact O-N 3.16Å; R199-D201 VanDerWaalsContact O-N 3.08Å; R199-H202 WeakPolarHBondContact O-CB 3.43Å; R199-H202 PolarHBondContact O-N 3.25Å
200	A	93.9	Very high	97.5	Very high	88 Å²	88	48.5 Å²	48.5	73%	0.727	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-17.5	-176.7	0	0	0	0	0	114.6	V193	V193-A200 PolarHBondContact O-N 3.23Å
201	D	95.4	Very high	97.6	Very high	144 Å²	144	51.2 Å²	51.2	77%	0.77	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-9.1	173.4	63.4	-33.9	0	0	0	113.6	R199	R199-D201 WeakPolarHBondContact CB-OD1 3.5Å; R199-D201 PolarHBondContact O-N 3.16Å; R199-D201 VanDerWaalsContact O-N 3.08Å
202	H	97.9	Very high	97.6	Very high	68 Å²	68	52.9 Å²	52.9	32%	0.315	29%	0.289	S	S	.	.	S	Bend	trans	-69.9	130.8	173	-167.8	-85	0	0	0	110.2	Y198 R199 D204 A205	Y198-H202 AromaticContact CD1-CD2 3.65Å; Y198-H202 AromaticContact CD1-NE2 3.83Å; R199-H202 WeakPolarHBondContact O-CB 3.43Å; R199-H202 PolarHBondContact O-N 3.25Å; H202-D204 VanDerWaalsContact C-N 3.25Å; H202-D204 PolarHBondContact CE1-O 2.8Å; H202-D204 PolarHBondContact ND1-N 3.3Å; H202-D204 PolarHBondContact ND1-O 2.88Å; H202-D204 VanDerWaalsContact ND1-O 3.16Å; H202-D204 PolarHBondContact O-N 3.21Å; H202-A205 HydrophobicContact CB-CB 4.31Å; H202-A205 PolarHBondContact ND1-N 2.71Å
203	P	97.3	Very high	97.6	Very high	130 Å²	130	52 Å²	52	84%	0.844	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.4	-172.4	24	-34.8	0	0	0	113.8
204	D	97.9	Very high	97.7	Very high	77 Å²	77	53.1 Å²	53.1	41%	0.412	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.3	75	176.3	-173.8	0.1	0	0	0	110.8	H202 A206 T207 A208	H202-D204 VanDerWaalsContact C-N 3.25Å; H202-D204 PolarHBondContact CE1-O 2.8Å; H202-D204 PolarHBondContact ND1-N 3.3Å; H202-D204 PolarHBondContact ND1-O 2.88Å; H202-D204 VanDerWaalsContact ND1-O 3.16Å; H202-D204 PolarHBondContact O-N 3.21Å; D204-A206 VanDerWaalsContact C-N 3.25Å; D204-A206 PolarHBondContact O-N 3.47Å; D204-T207 PolarHBondContact OD1-N 3.44Å; D204-T207 PolarHBondContact OD1-OG1 2.74Å; D204-T207 WeakPolarHBondContact OD2-CB 3.17Å; D204-T207 PolarHBondContact OD2-OG1 2.89Å; D204-A208 WeakPolarHBondContact O-CB 3.5Å; D204-A208 PolarHBondContact O-N 2.81Å
205	A	98.1	Very high	97.7	Very high	12 Å²	12	54.3 Å²	54.3	10%	0.099	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-31.4	-178.9	0	0	0	0	0	112.6	V193 H202 A208 Y209 P245	V193-A205 HydrophobicContact CG1-CB 4.04Å; H202-A205 HydrophobicContact CB-CB 4.31Å; H202-A205 PolarHBondContact ND1-N 2.71Å; A205-A208 PolarHBondContact O-N 3.47Å; A205-Y209 HydrophobicContact CB-CD2 4.47Å; A205-Y209 WeakPolarHBondContact O-CD2 3.17Å; A205-Y209 PolarHBondContact O-N 2.68Å; A205-P245 HydrophobicContact CB-CG 4.36Å
206	A	98.2	Very high	97.9	Very high	9 Å²	9	53.3 Å²	53.3	7%	0.074	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-52.4	-178.2	0	0	0	0	0	111.2	D204 A210 P245	D204-A206 VanDerWaalsContact C-N 3.25Å; D204-A206 PolarHBondContact O-N 3.47Å; A206-A210 WeakPolarHBondContact O-CB 3.38Å; A206-A210 PolarHBondContact O-N 2.86Å; A206-P245 HydrophobicContact CB-CB 3.72Å
207	T	98.6	Very high	98	Very high	37 Å²	37	52.8 Å²	52.8	23%	0.227	28%	0.284	C	S	.	.	H	α-helix	trans	-65.6	-43.7	178.4	-55.9	0	0	0	0	111.1	D204 Y209 A210 D211 Q251	D204-T207 PolarHBondContact OD1-N 3.44Å; D204-T207 PolarHBondContact OD1-OG1 2.74Å; D204-T207 WeakPolarHBondContact OD2-CB 3.17Å; D204-T207 PolarHBondContact OD2-OG1 2.89Å; T207-Y209 VanDerWaalsContact C-N 3.33Å; T207-Y209 PolarHBondContact O-N 3.24Å; T207-A210 PolarHBondContact O-N 2.96Å; T207-D211 PolarHBondContact O-N 2.94Å; T207-Q251 PolarHBondContact OG1-NE2 3.21Å; T207-Q251 PolarHBondContact OG1-OE1 3.35Å
208	A	98.8	Very high	98.1	Very high	13 Å²	13	51.6 Å²	51.6	11%	0.107	28%	0.28	C	S	.	.	H	α-helix	trans	-59.3	-41.8	179.7	0	0	0	0	0	112.8	Y198 D204 A205 E212	Y198-A208 HydrophobicContact CD1-CB 3.92Å; Y198-A208 HydrophobicContact CD2-CB 3.66Å; Y198-A208 HydrophobicContact CE1-CB 3.99Å; Y198-A208 HydrophobicContact CE2-CB 3.76Å; Y198-A208 WeakPolarHBondContact CE2-O 3.31Å; Y198-A208 HydrophobicContact CG-CB 3.76Å; D204-A208 WeakPolarHBondContact O-CB 3.5Å; D204-A208 PolarHBondContact O-N 2.81Å; A205-A208 PolarHBondContact O-N 3.47Å; A208-E212 PolarHBondContact O-N 3.13Å
209	Y	98.8	Very high	98.1	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-70.3	-34.9	173.5	-81.2	-64.2	0	0	0	113.2	P189 S190 P191 D192 G196 K197 Y198 A205 T207 D211 E212	P189-Y209 HydrophobicContact CB-CD1 4.14Å; P189-Y209 HydrophobicContact CB-CE1 3.94Å; S190-Y209 WeakPolarHBondContact O-CE1 3.37Å; S190-Y209 PolarHBondContact O-OH 3.3Å; P191-Y209 HydrophobicContact CB-CD1 4.38Å; P191-Y209 HydrophobicContact CB-CD2 3.97Å; P191-Y209 HydrophobicContact CB-CE2 4.37Å; P191-Y209 HydrophobicContact CB-CG 3.99Å; D192-Y209 PolarHBondContact O-OH 2.85Å; G196-Y209 VanDerWaalsContact C-OH 3.27Å; G196-Y209 WeakPolarHBondContact CA-OH 3.32Å; K197-Y209 HydrophobicContact CB-CE1 4.1Å; K197-Y209 PolarHBondContact N-OH 3.41Å; Y198-Y209 AromaticContact CD2-CD1 3.69Å; Y198-Y209 HydrophobicContact CD2-CD1 3.69Å; Y198-Y209 AromaticContact CD2-CD2 3.89Å; Y198-Y209 HydrophobicContact CD2-CD2 3.89Å; Y198-Y209 AromaticContact CD2-CE1 3.72Å; Y198-Y209 HydrophobicContact CD2-CE1 3.72Å; Y198-Y209 AromaticContact CD2-CE2 3.92Å; Y198-Y209 HydrophobicContact CD2-CE2 3.92Å; Y198-Y209 AromaticContact CD2-CG 3.77Å; Y198-Y209 HydrophobicContact CD2-CG 3.77Å; Y198-Y209 AromaticContact CD2-CZ 3.84Å; Y198-Y209 HydrophobicContact CE2-CD1 4.17Å; Y198-Y209 HydrophobicContact CE2-CE1 4.39Å; Y198-Y209 HydrophobicContact CE2-CG 4.46Å; Y198-Y209 HydrophobicContact CG-CE2 4.29Å; Y198-Y209 PolarHBondContact N-OH 2.89Å; Y198-Y209 VanDerWaalsContact N-OH 3.09Å; Y198-Y209 VanDerWaalsContact O-CE2 3.28Å; Y198-Y209 WeakPolarHBondContact O-CE2 3.42Å; Y198-Y209 PolarHBondContact O-OH 2.77Å; A205-Y209 HydrophobicContact CB-CD2 4.47Å; A205-Y209 WeakPolarHBondContact O-CD2 3.17Å; A205-Y209 PolarHBondContact O-N 2.68Å; T207-Y209 VanDerWaalsContact C-N 3.33Å; T207-Y209 PolarHBondContact O-N 3.24Å; Y209-D211 VanDerWaalsContact C-N 3.34Å; Y209-E212 WeakPolarHBondContact O-CB 3.48Å; Y209-E212 PolarHBondContact O-N 3.38Å
210	A	98.9	Very high	98.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.3	-37.5	177.6	0	0	0	0	0	111.7	A206 T207 E212 V213 K214 Y248 Q251 V252	A206-A210 WeakPolarHBondContact O-CB 3.38Å; A206-A210 PolarHBondContact O-N 2.86Å; T207-A210 PolarHBondContact O-N 2.96Å; A210-E212 VanDerWaalsContact C-N 3.27Å; A210-E212 PolarHBondContact O-N 3.37Å; A210-V213 WeakPolarHBondContact O-CB 3.2Å; A210-V213 PolarHBondContact O-N 3.46Å; A210-K214 PolarHBondContact O-N 3.43Å; A210-K214 VanDerWaalsContact O-N 3.08Å; A210-Y248 HydrophobicContact CB-CD2 4.17Å; A210-Y248 HydrophobicContact CB-CE2 4.41Å; A210-Q251 HydrophobicContact CB-CB 3.59Å; A210-V252 HydrophobicContact CB-CG2 3.98Å
211	D	98.8	Very high	98.3	Very high	62 Å²	62	49.5 Å²	49.5	33%	0.332	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-31	175.2	-81.4	-27.5	0	0	0	112.2	T207 Y209 V213 K214 D215	T207-D211 PolarHBondContact O-N 2.94Å; Y209-D211 VanDerWaalsContact C-N 3.34Å; D211-V213 VanDerWaalsContact C-N 3.27Å; D211-V213 PolarHBondContact O-N 2.91Å; D211-K214 WeakPolarHBondContact O-CB 3.15Å; D211-K214 PolarHBondContact O-N 2.89Å; D211-D215 WeakPolarHBondContact O-CB 3.45Å; D211-D215 PolarHBondContact O-N 3Å
212	E	98.9	Very high	98.4	Very high	34 Å²	34	49.7 Å²	49.7	16%	0.159	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-36.8	171.7	-63.6	-71.6	133.5	0	0	112.1	P189 K197 Y198 A208 Y209 A210 I216	P189-E212 HydrophobicContact CG-CB 4.2Å; P189-E212 HydrophobicContact CG-CG 4.05Å; K197-E212 IonicContact NZ-OE1 3.92Å; K197-E212 PolarHBondContact NZ-OE1 3.32Å; K197-E212 IonicContact NZ-OE2 3.42Å; K197-E212 PolarHBondContact NZ-OE2 3.07Å; Y198-E212 HydrophobicContact CE2-CG 3.98Å; Y198-E212 PolarHBondContact OH-OE1 2.99Å; A208-E212 PolarHBondContact O-N 3.13Å; Y209-E212 WeakPolarHBondContact O-CB 3.48Å; Y209-E212 PolarHBondContact O-N 3.38Å; A210-E212 VanDerWaalsContact C-N 3.27Å; A210-E212 PolarHBondContact O-N 3.37Å; E212-I216 VanDerWaalsContact O-CG1 3.3Å; E212-I216 WeakPolarHBondContact O-CG1 3.36Å; E212-I216 PolarHBondContact O-N 3.27Å; E212-I216 VanDerWaalsContact O-N 3.1Å
213	V	98.9	Very high	98.4	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-70.2	-41.6	175.5	-179.7	0	0	0	0	110.3	I152 A188 A210 D211 D215 I216 I217 F230 V252 V256	I152-V213 HydrophobicContact CD1-CG1 3.96Å; I152-V213 HydrophobicContact CG2-CG1 4.36Å; A188-V213 HydrophobicContact CB-CG2 3.81Å; A210-V213 WeakPolarHBondContact O-CB 3.2Å; A210-V213 PolarHBondContact O-N 3.46Å; D211-V213 VanDerWaalsContact C-N 3.27Å; D211-V213 PolarHBondContact O-N 2.91Å; V213-D215 VanDerWaalsContact C-N 3.34Å; V213-D215 PolarHBondContact O-N 3.22Å; V213-I216 WeakPolarHBondContact O-CB 3.29Å; V213-I216 PolarHBondContact O-N 3.44Å; V213-I217 HydrophobicContact CG1-CD1 4.07Å; V213-I217 HydrophobicContact CG1-CG1 4.48Å; V213-I217 VanDerWaalsContact O-CG1 3.26Å; V213-I217 WeakPolarHBondContact O-CG1 3.45Å; V213-I217 PolarHBondContact O-N 2.82Å; V213-F230 HydrophobicContact CG1-CD2 4.25Å; V213-F230 HydrophobicContact CG2-CE2 4.08Å; V213-V252 HydrophobicContact CB-CG1 4.5Å; V213-V252 HydrophobicContact CB-CG2 4.26Å; V213-V252 HydrophobicContact CG1-CG1 4.06Å; V213-V252 HydrophobicContact CG2-CG1 4.38Å; V213-V252 HydrophobicContact CG2-CG2 3.93Å; V213-V256 HydrophobicContact CG1-CG2 4.39Å
214	K	98.8	Very high	98.3	Very high	76 Å²	76	50.8 Å²	50.8	33%	0.33	27%	0.267	S	S	.	.	H	α-helix	trans	-57.9	-46.3	174.1	-179.2	-168.7	168.1	-160.7	0	111.5	A210 D211 I216 I217 E218	A210-K214 PolarHBondContact O-N 3.43Å; A210-K214 VanDerWaalsContact O-N 3.08Å; D211-K214 WeakPolarHBondContact O-CB 3.15Å; D211-K214 PolarHBondContact O-N 2.89Å; K214-I216 VanDerWaalsContact C-N 3.31Å; K214-I216 PolarHBondContact O-N 3.16Å; K214-I217 WeakPolarHBondContact O-CB 3.45Å; K214-I217 PolarHBondContact O-N 3.33Å; K214-I217 VanDerWaalsContact O-N 3.16Å; K214-E218 WeakPolarHBondContact CE-OE1 3.22Å; K214-E218 WeakPolarHBondContact O-CG 3.16Å; K214-E218 PolarHBondContact O-N 3.03Å
215	D	98.8	Very high	98.3	Very high	60 Å²	60	49.7 Å²	49.7	32%	0.321	26%	0.259	S	S	.	.	H	α-helix	trans	-60.2	-39.7	176.6	-84.5	11.3	0	0	0	112.3	D211 V213 E218 K219	D211-D215 WeakPolarHBondContact O-CB 3.45Å; D211-D215 PolarHBondContact O-N 3Å; V213-D215 VanDerWaalsContact C-N 3.34Å; V213-D215 PolarHBondContact O-N 3.22Å; D215-E218 PolarHBondContact O-N 2.83Å; D215-K219 WeakPolarHBondContact O-CB 2.81Å; D215-K219 WeakPolarHBondContact O-CD 3.33Å; D215-K219 VanDerWaalsContact O-CG 3.22Å; D215-K219 WeakPolarHBondContact O-CG 3.22Å; D215-K219 PolarHBondContact O-N 3.44Å
216	I	98.8	Very high	98.3	Very high	25 Å²	25	54.3 Å²	54.3	13%	0.128	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-47.3	174.4	-75	165.5	0	0	0	110.5	I152 H186 A188 E212 V213 K214 E218 K219 A220	I152-I216 HydrophobicContact CD1-CG2 3.9Å; I152-I216 HydrophobicContact CG1-CG2 4.12Å; I152-I216 HydrophobicContact CG2-CG2 4.46Å; H186-I216 HydrophobicContact CB-CG2 3.46Å; H186-I216 VanDerWaalsContact CB-CG2 3.46Å; A188-I216 HydrophobicContact CB-CD1 3.68Å; E212-I216 VanDerWaalsContact O-CG1 3.3Å; E212-I216 WeakPolarHBondContact O-CG1 3.36Å; E212-I216 PolarHBondContact O-N 3.27Å; E212-I216 VanDerWaalsContact O-N 3.1Å; V213-I216 WeakPolarHBondContact O-CB 3.29Å; V213-I216 PolarHBondContact O-N 3.44Å; K214-I216 VanDerWaalsContact C-N 3.31Å; K214-I216 PolarHBondContact O-N 3.16Å; I216-E218 PolarHBondContact O-N 3.35Å; I216-K219 PolarHBondContact O-N 2.99Å; I216-A220 WeakPolarHBondContact O-CB 3.49Å; I216-A220 PolarHBondContact O-N 2.76Å
217	I	98.8	Very high	98.4	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.051	27%	0.274	C	S	.	.	H	α-helix	trans	-58.4	-48.3	177.7	-67	167.7	0	0	0	110.4	I152 V213 K214 K219 A220 H221 I227 H255 V256 A259	I152-I217 HydrophobicContact CD1-CD1 4.27Å; I152-I217 HydrophobicContact CD1-CG1 3.6Å; V213-I217 HydrophobicContact CG1-CD1 4.07Å; V213-I217 HydrophobicContact CG1-CG1 4.48Å; V213-I217 VanDerWaalsContact O-CG1 3.26Å; V213-I217 WeakPolarHBondContact O-CG1 3.45Å; V213-I217 PolarHBondContact O-N 2.82Å; K214-I217 WeakPolarHBondContact O-CB 3.45Å; K214-I217 PolarHBondContact O-N 3.33Å; K214-I217 VanDerWaalsContact O-N 3.16Å; I217-K219 PolarHBondContact O-N 3.46Å; I217-A220 PolarHBondContact O-N 2.87Å; I217-H221 PolarHBondContact O-N 2.97Å; I217-I227 HydrophobicContact CG1-CG1 4.14Å; I217-I227 HydrophobicContact CG2-CG1 4.36Å; I217-H255 HydrophobicContact CD1-CB 3.89Å; I217-V256 HydrophobicContact CD1-CG2 4.13Å; I217-A259 HydrophobicContact CD1-CB 4.48Å; I217-A259 HydrophobicContact CG2-CB 3.56Å
218	E	98.6	Very high	98.4	Very high	93 Å²	93	52.1 Å²	52.1	44%	0.435	26%	0.263	S	S	.	.	H	α-helix	trans	-61.1	-45.3	179.5	-71.7	178.9	-175.8	0	0	111.8	K214 D215 I216 A220 H221 I222	K214-E218 WeakPolarHBondContact CE-OE1 3.22Å; K214-E218 WeakPolarHBondContact O-CG 3.16Å; K214-E218 PolarHBondContact O-N 3.03Å; D215-E218 PolarHBondContact O-N 2.83Å; I216-E218 PolarHBondContact O-N 3.35Å; E218-A220 PolarHBondContact O-N 2.89Å; E218-H221 PolarHBondContact O-N 2.91Å; E218-I222 VanDerWaalsContact O-CG1 3.32Å; E218-I222 WeakPolarHBondContact O-CG1 3.14Å; E218-I222 PolarHBondContact O-N 3.15Å
219	K	98.4	Very high	98.4	Very high	122 Å²	122	51.5 Å²	51.5	53%	0.53	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-39.3	176.5	-72.8	165.2	-172.2	157.5	0	112.4	D215 I216 I217 K223	D215-K219 WeakPolarHBondContact O-CB 2.81Å; D215-K219 WeakPolarHBondContact O-CD 3.33Å; D215-K219 VanDerWaalsContact O-CG 3.22Å; D215-K219 WeakPolarHBondContact O-CG 3.22Å; D215-K219 PolarHBondContact O-N 3.44Å; I216-K219 PolarHBondContact O-N 2.99Å; I217-K219 PolarHBondContact O-N 3.46Å; K219-K223 WeakPolarHBondContact O-CG 3.27Å; K219-K223 PolarHBondContact O-N 2.72Å
220	A	97.9	Very high	98.4	Very high	2 Å²	2	51.4 Å²	51.4	2%	0.017	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-46.1	175.1	0	0	0	0	0	110.8	I216 I217 E218 I222 K223 G224 H225 I227	I216-A220 WeakPolarHBondContact O-CB 3.49Å; I216-A220 PolarHBondContact O-N 2.76Å; I217-A220 PolarHBondContact O-N 2.87Å; E218-A220 PolarHBondContact O-N 2.89Å; A220-I222 PolarHBondContact O-N 2.93Å; A220-K223 CarbonylContact O-C 3.58Å; A220-K223 WeakPolarHBondContact O-CA 3.21Å; A220-K223 WeakPolarHBondContact O-CB 3.42Å; A220-K223 PolarHBondContact O-N 3.5Å; A220-K223 VanDerWaalsContact O-N 3.07Å; A220-G224 PolarHBondContact O-N 2.75Å; A220-H225 HydrophobicContact CB-CB 4.1Å; A220-H225 WeakPolarHBondContact O-CB 3.48Å; A220-H225 PolarHBondContact O-N 2.84Å; A220-I227 HydrophobicContact CB-CD1 3.91Å
221	H	98.1	Very high	98.4	Very high	64 Å²	64	51.4 Å²	51.4	30%	0.296	26%	0.257	S	S	.	.	H	α-helix	trans	-62.3	-39.6	177.9	-72.1	174.1	0	0	0	113.4	I217 E218 K223 G224 H225	I217-H221 PolarHBondContact O-N 2.97Å; E218-H221 PolarHBondContact O-N 2.91Å; H221-K223 PolarHBondContact O-N 3.23Å; H221-G224 WeakPolarHBondContact O-CA 3.28Å; H221-G224 PolarHBondContact O-N 3.06Å; H221-H225 PolarHBondContact CD2-O 3.25Å; H221-H225 VanDerWaalsContact CD2-O 3.31Å
222	I	98	Very high	98.4	Very high	147 Å²	147	48.5 Å²	48.5	75%	0.754	24%	0.242	S	C	*	.	H	α-helix	trans	-58.5	-33.8	174.6	-71.6	164.6	0	0	0	111.1	E218 A220 G224	E218-I222 VanDerWaalsContact O-CG1 3.32Å; E218-I222 WeakPolarHBondContact O-CG1 3.14Å; E218-I222 PolarHBondContact O-N 3.15Å; A220-I222 PolarHBondContact O-N 2.93Å; I222-G224 VanDerWaalsContact C-N 3.26Å; I222-G224 PolarHBondContact O-N 3.05Å
223	K	96.4	Very high	98.4	Very high	160 Å²	160	47 Å²	47	70%	0.696	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	3.8	176.1	-64.1	176.3	-177.9	-180	0	113.5	K219 A220 H221 H225	K219-K223 WeakPolarHBondContact O-CG 3.27Å; K219-K223 PolarHBondContact O-N 2.72Å; A220-K223 CarbonylContact O-C 3.58Å; A220-K223 WeakPolarHBondContact O-CA 3.21Å; A220-K223 WeakPolarHBondContact O-CB 3.42Å; A220-K223 PolarHBondContact O-N 3.5Å; A220-K223 VanDerWaalsContact O-N 3.07Å; H221-K223 PolarHBondContact O-N 3.23Å; K223-H225 VanDerWaalsContact C-N 3.26Å; K223-H225 PolarHBondContact O-N 3.36Å
224	G	96.9	Very high	98.4	Very high	61 Å²	61	47.2 Å²	47.2	63%	0.629	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	6	-177.6	0	0	0	0	0	114.6	A220 H221 I222	A220-G224 PolarHBondContact O-N 2.75Å; H221-G224 WeakPolarHBondContact O-CA 3.28Å; H221-G224 PolarHBondContact O-N 3.06Å; I222-G224 VanDerWaalsContact C-N 3.26Å; I222-G224 PolarHBondContact O-N 3.05Å
225	H	97.8	Very high	98.4	Very high	54 Å²	54	43.7 Å²	43.7	25%	0.25	22%	0.221	C	C	.	.			trans	-76.8	163	175.4	-69	-155	0	0	0	110.9	D150 A220 H221 K223	D150-H225 IonicContact OD1-ND1 3.02Å; D150-H225 WeakPolarHBondContact OD2-CB 3.45Å; D150-H225 IonicContact OD2-CE1 3.77Å; D150-H225 IonicContact OD2-CG 3.97Å; D150-H225 IonicContact OD2-ND1 3.48Å; D150-H225 PolarHBondContact OD2-ND1 2.69Å; A220-H225 HydrophobicContact CB-CB 4.1Å; A220-H225 WeakPolarHBondContact O-CB 3.48Å; A220-H225 PolarHBondContact O-N 2.84Å; H221-H225 PolarHBondContact CD2-O 3.25Å; H221-H225 VanDerWaalsContact CD2-O 3.31Å; K223-H225 VanDerWaalsContact C-N 3.26Å; K223-H225 PolarHBondContact O-N 3.36Å
226	K	97.9	Very high	98.3	Very high	109 Å²	109	40.8 Å²	40.8	47%	0.474	21%	0.206	S	C	.	.			trans	-137	139.1	178.8	-65.3	-67	-176.7	-178.2	0	110.5	N148 D150	N148-K226 HydrophobicContact CB-CB 3.98Å; N148-K226 VanDerWaalsContact CG-CB 3.42Å; N148-K226 WeakPolarHBondContact OD1-CB 3.41Å; D150-K226 VanDerWaalsContact CB-O 3.31Å; D150-K226 WeakPolarHBondContact CB-O 3.24Å; D150-K226 PolarHBondContact N-O 3.41Å
227	I	98.6	Very high	98.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.7	-173.5	-52.4	-57.5	0	0	0	110.5	N148 D150 I152 I217 A220 G261	N148-I227 PolarHBondContact ND2-O 3.36Å; D150-I227 HydrophobicContact CB-CD1 3.88Å; I152-I227 HydrophobicContact CD1-CD1 4.13Å; I152-I227 HydrophobicContact CD1-CG1 4.43Å; I152-I227 HydrophobicContact CD1-CG2 4.09Å; I152-I227 HydrophobicContact CG1-CD1 4.27Å; I152-I227 HydrophobicContact CG1-CG2 4.26Å; I217-I227 HydrophobicContact CG1-CG1 4.14Å; I217-I227 HydrophobicContact CG2-CG1 4.36Å; A220-I227 HydrophobicContact CB-CD1 3.91Å; I227-G261 WeakPolarHBondContact O-CA 3.35Å
228	A	98.8	Very high	98	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-48	171.4	0	0	0	0	0	111.4	T146 N148 D150 I151 G261 V262	T146-A228 WeakPolarHBondContact CG2-O 3.39Å; T146-A228 WeakPolarHBondContact OG1-CA 3.35Å; N148-A228 HydrophobicContact CB-CB 3.86Å; D150-A228 PolarHBondContact O-N 2.81Å; I151-A228 HydrophobicContact CD1-CB 3.98Å; A228-G261 WeakPolarHBondContact O-CA 3.47Å; A228-V262 WeakPolarHBondContact O-CG2 3.31Å; A228-V262 PolarHBondContact O-N 2.98Å
229	A	98.9	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	156.7	-179.3	0	0	0	0	0	114	A142 D150 I151 I152 V262 I264	A142-A229 HydrophobicContact CB-CB 3.89Å; D150-A229 PolarHBondContact O-N 3.04Å; I151-A229 WeakPolarHBondContact CA-O 3.28Å; I151-A229 HydrophobicContact CD1-CB 3.86Å; I152-A229 PolarHBondContact N-O 3.33Å; A229-V262 WeakPolarHBondContact CA-O 3.39Å; A229-V262 HydrophobicContact CB-CG2 4.02Å; A229-V262 WeakPolarHBondContact CB-O 3.49Å; A229-I264 HydrophobicContact CB-CD1 3.66Å; A229-I264 HydrophobicContact CB-CG1 4.03Å
230	F	98.9	Very high	97.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.6	153.1	173.7	-87.6	0	0	0	108.5	I152 L154 V213 A232 F249 V252 V256 V262 F263 I264	I152-F230 HydrophobicContact CB-CB 4.46Å; I152-F230 HydrophobicContact CB-CD2 3.91Å; I152-F230 HydrophobicContact CG2-CD2 3.75Å; I152-F230 HydrophobicContact CG2-CE2 4.23Å; I152-F230 WeakPolarHBondContact O-CA 3.5Å; L154-F230 HydrophobicContact CD1-CZ 4.43Å; L154-F230 HydrophobicContact CD2-CE2 3.94Å; L154-F230 HydrophobicContact CD2-CZ 3.84Å; L154-F230 HydrophobicContact CG-CE2 4.44Å; L154-F230 HydrophobicContact CG-CZ 4.08Å; V213-F230 HydrophobicContact CG1-CD2 4.25Å; V213-F230 HydrophobicContact CG2-CE2 4.08Å; F230-A232 HydrophobicContact CD1-CB 4.4Å; F230-A232 HydrophobicContact CE1-CB 3.46Å; F230-A232 VanDerWaalsContact CE1-CB 3.46Å; F230-A232 HydrophobicContact CZ-CB 3.83Å; F230-F249 HydrophobicContact CE1-CD1 4.41Å; F230-F249 HydrophobicContact CE1-CE1 4.26Å; F230-V252 HydrophobicContact CB-CG1 4.4Å; F230-V252 HydrophobicContact CD1-CG1 3.8Å; F230-V252 HydrophobicContact CD2-CG1 3.8Å; F230-V252 HydrophobicContact CE1-CG1 3.9Å; F230-V252 HydrophobicContact CE2-CG1 3.93Å; F230-V252 HydrophobicContact CG-CG1 3.73Å; F230-V252 HydrophobicContact CZ-CG1 3.97Å; F230-V256 HydrophobicContact CB-CB 4.47Å; F230-V256 HydrophobicContact CB-CG1 4.22Å; F230-V256 HydrophobicContact CB-CG2 3.55Å; F230-V256 HydrophobicContact CG-CG2 4.35Å; F230-V262 PolarHBondContact N-O 2.61Å; F230-F263 AromaticContact CD1-CD2 3.73Å; F230-F263 HydrophobicContact CD1-CD2 3.73Å; F230-F263 HydrophobicContact CD1-CE1 4.16Å; F230-F263 AromaticContact CD1-CE2 3.29Å; F230-F263 HydrophobicContact CD1-CE2 3.29Å; F230-F263 HydrophobicContact CD1-CG 4.39Å; F230-F263 AromaticContact CD1-CZ 3.53Å; F230-F263 HydrophobicContact CD1-CZ 3.53Å; F230-F263 HydrophobicContact CE1-CD2 4.38Å; F230-F263 HydrophobicContact CE1-CE1 4.28Å; F230-F263 AromaticContact CE1-CE2 3.5Å; F230-F263 HydrophobicContact CE1-CE2 3.5Å; F230-F263 AromaticContact CE1-CZ 3.43Å; F230-F263 HydrophobicContact CE1-CZ 3.43Å; F230-F263 VanDerWaalsContact CE1-CZ 3.43Å; F230-F263 HydrophobicContact CG-CE2 4.33Å; F230-I264 PolarHBondContact O-N 3.06Å
231	I	98.9	Very high	97.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.2	176.1	-173.9	171	0	0	0	110.3	I151 I152 I168 I264	I151-I231 HydrophobicContact CG2-CG2 3.81Å; I152-I231 PolarHBondContact O-N 3.25Å; I168-I231 HydrophobicContact CD1-CD1 4Å; I168-I231 HydrophobicContact CD1-CG2 3.88Å; I231-I264 WeakPolarHBondContact CA-O 3.36Å; I231-I264 HydrophobicContact CB-CB 4.06Å; I231-I264 HydrophobicContact CB-CD1 4.48Å; I231-I264 HydrophobicContact CD1-CB 4.44Å; I231-I264 HydrophobicContact CD1-CG2 4.01Å; I231-I264 HydrophobicContact CG1-CB 3.96Å; I231-I264 HydrophobicContact CG1-CG2 3.93Å
232	A	98.9	Very high	97.7	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	143.5	174.7	0	0	0	0	0	112.1	L154 F230 S234 F249 I264 D266	L154-A232 HydrophobicContact CD1-CB 3.68Å; L154-A232 HydrophobicContact CG-CB 4.21Å; F230-A232 HydrophobicContact CD1-CB 4.4Å; F230-A232 HydrophobicContact CE1-CB 3.46Å; F230-A232 VanDerWaalsContact CE1-CB 3.46Å; F230-A232 HydrophobicContact CZ-CB 3.83Å; A232-S234 PolarHBondContact O-N 2.96Å; A232-F249 HydrophobicContact CB-CE1 3.81Å; A232-F249 HydrophobicContact CB-CZ 3.96Å; A232-I264 PolarHBondContact N-O 3.39Å; A232-I264 VanDerWaalsContact N-O 3.12Å; A232-D266 PolarHBondContact O-N 3.02Å
233	E	98.8	Very high	97.7	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.019	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	130.9	159.4	-65.5	167.6	73.5	0	0	107.9	Y158 L235 Q236 S237 D266	Y158-E233 PolarHBondContact N-OE2 2.97Å; E233-L235 PolarHBondContact O-N 3.04Å; E233-Q236 HydrophobicContact CB-CG 4.41Å; E233-S237 PolarHBondContact OE1-N 3.28Å; E233-D266 WeakPolarHBondContact CA-O 3.12Å; E233-D266 HydrophobicContact CG-CB 4.37Å
234	S	98.7	Very high	97.8	Very high	3 Å²	3	14 Å²	14	2%	0.021	9%	0.085	C	C	.	.	S	Bend	trans	-57.7	-36.6	-179.3	-66.4	0	0	0	0	112	A232 P244 D266 E267	A232-S234 PolarHBondContact O-N 2.96Å; S234-P244 WeakPolarHBondContact O-CD 3.46Å; S234-D266 PolarHBondContact N-O 3.49Å; S234-E267 VanDerWaalsContact CB-OE1 3.25Å; S234-E267 WeakPolarHBondContact CB-OE1 3.15Å; S234-E267 PolarHBondContact OG-OE1 2.69Å
235	L	98.6	Very high	97.8	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	6%	0.062	C	C	.	.	S	Bend	trans	-132.4	127.5	161	-64	66.3	0	0	0	107.2	E233 S237 V242 I243 V270 V275 A281 L284 F386	E233-L235 PolarHBondContact O-N 3.04Å; L235-S237 PolarHBondContact O-N 3.34Å; L235-V242 CarbonylContact C-O 3.52Å; L235-V242 VanDerWaalsContact CA-O 3.31Å; L235-V242 WeakPolarHBondContact CA-O 3.4Å; L235-V242 WeakPolarHBondContact CB-O 3.48Å; L235-I243 HydrophobicContact CD2-CG1 3.85Å; L235-I243 HydrophobicContact CG-CG1 4.2Å; L235-V270 HydrophobicContact CB-CG1 4.27Å; L235-V275 HydrophobicContact CD1-CG1 4.33Å; L235-V275 HydrophobicContact CD2-CG1 4.37Å; L235-A281 HydrophobicContact CD1-CB 3.49Å; L235-A281 VanDerWaalsContact CD1-CB 3.49Å; L235-L284 HydrophobicContact CD1-CD1 4.14Å; L235-F386 HydrophobicContact CB-CD1 4.32Å; L235-F386 HydrophobicContact CB-CE1 3.67Å; L235-F386 HydrophobicContact CB-CZ 4.12Å; L235-F386 HydrophobicContact CD2-CD1 3.65Å; L235-F386 HydrophobicContact CD2-CE1 3.84Å; L235-F386 HydrophobicContact CG-CE1 4.44Å
236	Q	98.4	Very high	97.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-70.2	122.7	-176.2	-57.5	-175.1	-88.1	0	0	110.5	E155 S190 E233 Q241 V242	E155-Q236 PolarHBondContact O-NE2 3.22Å; S190-Q236 PolarHBondContact OG-OE1 2.83Å; E233-Q236 HydrophobicContact CB-CG 4.41Å; Q236-Q241 CarbonylContact O-C 3.53Å; Q236-Q241 WeakPolarHBondContact O-CA 3.36Å; Q236-Q241 PolarHBondContact O-N 2.9Å; Q236-V242 HydrophobicContact CB-CB 4.15Å; Q236-V242 HydrophobicContact CG-CB 4.5Å; Q236-V242 PolarHBondContact N-O 3.04Å; Q236-V242 PolarHBondContact O-N 2.73Å; Q236-V242 VanDerWaalsContact O-N 3.09Å
237	S	95.4	Very high	97.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-67.4	176	-171.9	0	0	0	0	110.6	E233 L235 G239 G240 Q241	E233-S237 PolarHBondContact OE1-N 3.28Å; L235-S237 PolarHBondContact O-N 3.34Å; S237-G239 PolarHBondContact O-N 3.38Å; S237-G239 VanDerWaalsContact O-N 3.15Å; S237-G240 PolarHBondContact O-N 3.16Å; S237-Q241 PolarHBondContact O-N 3.01Å; S237-Q241 PolarHBondContact O-OE1 2.69Å; S237-Q241 PolarHBondContact OG-OE1 2.69Å
238	C	94.1	Very high	97.7	Very high	18 Å²	18	10.6 Å²	10.6	12%	0.122	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27	-178	-70.1	0	0	0	0	112.8	Y171 G240 G423	Y171-C238 HydrophobicContact CD1-CB 3.75Å; Y171-C238 HydrophobicContact CD2-CB 4.08Å; Y171-C238 HydrophobicContact CE1-CB 3.85Å; Y171-C238 HydrophobicContact CE2-CB 4.19Å; Y171-C238 WeakPolarHBondContact CE2-O 3.44Å; Y171-C238 HydrophobicContact CG-CB 3.87Å; C238-G240 PolarHBondContact O-N 3.08Å; C238-G240 VanDerWaalsContact O-N 3.14Å; C238-G423 WeakPolarHBondContact O-CA 3.41Å; C238-G423 PolarHBondContact O-N 2.75Å
239	G	94.6	Very high	97.7	Very high	4 Å²	4	10.7 Å²	10.7	4%	0.041	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.5	171.2	0	0	0	0	0	115.1	N156 S237	N156-G239 PolarHBondContact O-N 2.95Å; S237-G239 PolarHBondContact O-N 3.38Å; S237-G239 VanDerWaalsContact O-N 3.15Å
240	G	96.7	Very high	97.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.2	45.7	176.5	0	0	0	0	0	112.7	S237 C238 V242 R381	S237-G240 PolarHBondContact O-N 3.16Å; C238-G240 PolarHBondContact O-N 3.08Å; C238-G240 VanDerWaalsContact O-N 3.14Å; G240-V242 VanDerWaalsContact C-N 3.31Å; G240-V242 PolarHBondContact O-N 2.67Å; G240-R381 VanDerWaalsContact O-CZ 3.25Å; G240-R381 PolarHBondContact O-NE 3.49Å; G240-R381 PolarHBondContact O-NH2 3.04Å
241	Q	98	Very high	97.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	59.3	38.7	174	-45.3	-60.6	105.7	0	0	113.3	Q236 S237 R381 F386 V428 K430	Q236-Q241 CarbonylContact O-C 3.53Å; Q236-Q241 WeakPolarHBondContact O-CA 3.36Å; Q236-Q241 PolarHBondContact O-N 2.9Å; S237-Q241 PolarHBondContact O-N 3.01Å; S237-Q241 PolarHBondContact O-OE1 2.69Å; S237-Q241 PolarHBondContact OG-OE1 2.69Å; Q241-R381 WeakPolarHBondContact O-CD 3.49Å; Q241-F386 HydrophobicContact CB-CE1 3.98Å; Q241-F386 HydrophobicContact CG-CE1 4.49Å; Q241-F386 VanDerWaalsContact NE2-CE1 3.25Å; Q241-V428 HydrophobicContact CG-CG1 4.28Å; Q241-K430 HydrophobicContact CG-CG 4.25Å
242	V	98.4	Very high	97.6	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-76	130.7	-175.3	178.4	0	0	0	0	110.2	D192 L235 Q236 G240	D192-V242 HydrophobicContact CB-CG1 3.89Å; D192-V242 HydrophobicContact CB-CG2 4.1Å; L235-V242 CarbonylContact C-O 3.52Å; L235-V242 VanDerWaalsContact CA-O 3.31Å; L235-V242 WeakPolarHBondContact CA-O 3.4Å; L235-V242 WeakPolarHBondContact CB-O 3.48Å; Q236-V242 HydrophobicContact CB-CB 4.15Å; Q236-V242 HydrophobicContact CG-CB 4.5Å; Q236-V242 PolarHBondContact N-O 3.04Å; Q236-V242 PolarHBondContact O-N 2.73Å; Q236-V242 VanDerWaalsContact O-N 3.09Å; G240-V242 VanDerWaalsContact C-N 3.31Å; G240-V242 PolarHBondContact O-N 2.67Å
243	I	98.3	Very high	97.6	Very high	33 Å²	33	15.7 Å²	15.7	17%	0.169	9%	0.092	C	C	.	.			trans	-106.9	113.8	174.7	-57.2	167.3	0	0	0	107.4	L235 R383	L235-I243 HydrophobicContact CD2-CG1 3.85Å; L235-I243 HydrophobicContact CG-CG1 4.2Å; I243-R383 HydrophobicContact CD1-CG 4.05Å
244	P	98.1	Very high	97.6	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.026	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-59.3	141.9	174.8	-21.6	31.9	0	0	0	111.1	P191 S234 Y248 F249 Q285	P191-P244 HydrophobicContact CB-CB 4.35Å; P191-P244 HydrophobicContact CG-CB 3.86Å; P191-P244 HydrophobicContact CG-CG 4Å; S234-P244 WeakPolarHBondContact O-CD 3.46Å; P244-Y248 HydrophobicContact CB-CD1 3.67Å; P244-Y248 HydrophobicContact CB-CE1 4.39Å; P244-Y248 HydrophobicContact CB-CG 4.41Å; P244-F249 HydrophobicContact CB-CE1 4.42Å; P244-F249 HydrophobicContact CB-CE2 4.48Å; P244-F249 HydrophobicContact CB-CZ 4.22Å; P244-F249 HydrophobicContact CG-CE1 4.1Å; P244-F249 HydrophobicContact CG-CE2 3.95Å; P244-F249 HydrophobicContact CG-CZ 3.55Å; P244-Q285 PolarHBondContact O-NE2 3.31Å
245	P	97.8	Very high	97.6	Very high	25 Å²	25	21 Å²	21	16%	0.162	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-52.6	146.9	173.1	-27.6	36.4	0	0	0	112	V193 A205 A206 G247 Y248 Q285	V193-P245 HydrophobicContact CG1-CG 3.6Å; A205-P245 HydrophobicContact CB-CG 4.36Å; A206-P245 HydrophobicContact CB-CB 3.72Å; P245-G247 PolarHBondContact O-N 3.31Å; P245-Y248 WeakPolarHBondContact O-CB 3.48Å; P245-Y248 PolarHBondContact O-N 3.47Å; P245-Q285 PolarHBondContact O-NE2 3.02Å; P245-Q285 PolarHBondContact O-OE1 3.39Å
246	V	96.3	Very high	97.6	Very high	108 Å²	108	20.9 Å²	20.9	66%	0.655	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	134	176.2	176.7	0	0	0	0	109.3	Y248	V246-Y248 VanDerWaalsContact C-N 3.32Å
247	G	96.6	Very high	97.7	Very high	20 Å²	20	25 Å²	25	21%	0.206	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-14.5	-178.4	0	0	0	0	0	114.1	P245 Q250 Q251	P245-G247 PolarHBondContact O-N 3.31Å; G247-Q250 PolarHBondContact O-N 3.09Å; G247-Q251 WeakPolarHBondContact O-CG 3.24Å; G247-Q251 PolarHBondContact O-N 3.19Å; G247-Q251 VanDerWaalsContact O-N 3.13Å
248	Y	98.6	Very high	97.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.7	-52.2	178	169	-110.1	0	0	0	111.9	L154 P191 A210 P244 P245 V246 Q250 Q251 V252	L154-Y248 WeakPolarHBondContact CD2-OH 3.35Å; P191-Y248 HydrophobicContact CB-CD1 4.24Å; P191-Y248 HydrophobicContact CB-CE1 4.08Å; P191-Y248 HydrophobicContact CB-CE2 4.43Å; P191-Y248 HydrophobicContact CB-CG 4.45Å; P191-Y248 HydrophobicContact CG-CD1 4.15Å; P191-Y248 HydrophobicContact CG-CE1 3.77Å; A210-Y248 HydrophobicContact CB-CD2 4.17Å; A210-Y248 HydrophobicContact CB-CE2 4.41Å; P244-Y248 HydrophobicContact CB-CD1 3.67Å; P244-Y248 HydrophobicContact CB-CE1 4.39Å; P244-Y248 HydrophobicContact CB-CG 4.41Å; P245-Y248 WeakPolarHBondContact O-CB 3.48Å; P245-Y248 PolarHBondContact O-N 3.47Å; V246-Y248 VanDerWaalsContact C-N 3.32Å; Y248-Q250 VanDerWaalsContact C-N 3.31Å; Y248-Q250 PolarHBondContact O-N 2.95Å; Y248-Q251 PolarHBondContact O-N 3.14Å; Y248-V252 HydrophobicContact CD2-CG2 3.94Å; Y248-V252 HydrophobicContact CE1-CG2 4.26Å; Y248-V252 HydrophobicContact CE2-CG2 3.46Å; Y248-V252 VanDerWaalsContact CE2-CG2 3.46Å; Y248-V252 WeakPolarHBondContact O-CG2 3.42Å; Y248-V252 PolarHBondContact O-N 3.39Å
249	F	98.7	Very high	98	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-69.5	-30.1	-177.6	-69.6	-31.5	0	0	0	112.9	F230 A232 P244 A253 F263 Q285 F289	F230-F249 HydrophobicContact CE1-CD1 4.41Å; F230-F249 HydrophobicContact CE1-CE1 4.26Å; A232-F249 HydrophobicContact CB-CE1 3.81Å; A232-F249 HydrophobicContact CB-CZ 3.96Å; P244-F249 HydrophobicContact CB-CE1 4.42Å; P244-F249 HydrophobicContact CB-CE2 4.48Å; P244-F249 HydrophobicContact CB-CZ 4.22Å; P244-F249 HydrophobicContact CG-CE1 4.1Å; P244-F249 HydrophobicContact CG-CE2 3.95Å; P244-F249 HydrophobicContact CG-CZ 3.55Å; F249-A253 VanDerWaalsContact O-CB 3.24Å; F249-A253 WeakPolarHBondContact O-CB 3.34Å; F249-A253 PolarHBondContact O-N 3.19Å; F249-F263 HydrophobicContact CB-CE2 4.22Å; F249-F263 HydrophobicContact CB-CZ 3.94Å; F249-F263 HydrophobicContact CD1-CE2 4.15Å; F249-F263 AromaticContact CD1-CZ 3.56Å; F249-F263 HydrophobicContact CD1-CZ 3.56Å; F249-F263 HydrophobicContact CD2-CZ 4.41Å; F249-F263 HydrophobicContact CE1-CZ 4.07Å; F249-F263 HydrophobicContact CG-CE2 4.42Å; F249-F263 AromaticContact CG-CZ 3.76Å; F249-F263 HydrophobicContact CG-CZ 3.76Å; F249-Q285 HydrophobicContact CB-CG 3.98Å; F249-Q285 HydrophobicContact CD2-CG 3.6Å; F249-Q285 HydrophobicContact CG-CG 4.16Å; F249-F289 HydrophobicContact CB-CD1 4.45Å; F249-F289 HydrophobicContact CB-CD2 4.25Å; F249-F289 HydrophobicContact CB-CE1 3.9Å; F249-F289 HydrophobicContact CB-CE2 3.69Å; F249-F289 HydrophobicContact CB-CZ 3.51Å; F249-F289 HydrophobicContact CD2-CE1 4.17Å; F249-F289 HydrophobicContact CD2-CZ 4.41Å; F249-F289 HydrophobicContact CG-CE1 4.45Å; F249-F289 HydrophobicContact CG-CZ 4.26Å; F249-F289 WeakPolarHBondContact O-CE2 3.38Å
250	Q	98	Very high	98.2	Very high	58 Å²	58	34.1 Å²	34.1	27%	0.271	18%	0.183	S	C	.	.	H	α-helix	trans	-60.6	-51.7	174.4	-173.6	70.7	10.2	0	0	110.4	G247 Y248 A253 E254	G247-Q250 PolarHBondContact O-N 3.09Å; Y248-Q250 VanDerWaalsContact C-N 3.31Å; Y248-Q250 PolarHBondContact O-N 2.95Å; Q250-A253 PolarHBondContact O-N 3.32Å; Q250-E254 WeakPolarHBondContact O-CG 3.32Å; Q250-E254 PolarHBondContact O-N 3.18Å
251	Q	98.6	Very high	98.3	Very high	49 Å²	49	34.3 Å²	34.3	23%	0.229	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-43.8	179.4	-66.1	-173.9	60.1	0	0	111.8	T207 A210 G247 Y248 A253 E254 H255	T207-Q251 PolarHBondContact OG1-NE2 3.21Å; T207-Q251 PolarHBondContact OG1-OE1 3.35Å; A210-Q251 HydrophobicContact CB-CB 3.59Å; G247-Q251 WeakPolarHBondContact O-CG 3.24Å; G247-Q251 PolarHBondContact O-N 3.19Å; G247-Q251 VanDerWaalsContact O-N 3.13Å; Y248-Q251 PolarHBondContact O-N 3.14Å; Q251-A253 PolarHBondContact O-N 2.9Å; Q251-E254 WeakPolarHBondContact O-CB 3.34Å; Q251-E254 PolarHBondContact O-N 3.13Å; Q251-H255 PolarHBondContact O-CD2 2.98Å; Q251-H255 PolarHBondContact O-N 3.4Å
252	V	98.9	Very high	98.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-46.2	175.4	170.7	0	0	0	0	111.5	A210 V213 F230 Y248 E254 H255 V256 F263	A210-V252 HydrophobicContact CB-CG2 3.98Å; V213-V252 HydrophobicContact CB-CG1 4.5Å; V213-V252 HydrophobicContact CB-CG2 4.26Å; V213-V252 HydrophobicContact CG1-CG1 4.06Å; V213-V252 HydrophobicContact CG2-CG1 4.38Å; V213-V252 HydrophobicContact CG2-CG2 3.93Å; F230-V252 HydrophobicContact CB-CG1 4.4Å; F230-V252 HydrophobicContact CD1-CG1 3.8Å; F230-V252 HydrophobicContact CD2-CG1 3.8Å; F230-V252 HydrophobicContact CE1-CG1 3.9Å; F230-V252 HydrophobicContact CE2-CG1 3.93Å; F230-V252 HydrophobicContact CG-CG1 3.73Å; F230-V252 HydrophobicContact CZ-CG1 3.97Å; Y248-V252 HydrophobicContact CD2-CG2 3.94Å; Y248-V252 HydrophobicContact CE1-CG2 4.26Å; Y248-V252 HydrophobicContact CE2-CG2 3.46Å; Y248-V252 VanDerWaalsContact CE2-CG2 3.46Å; Y248-V252 WeakPolarHBondContact O-CG2 3.42Å; Y248-V252 PolarHBondContact O-N 3.39Å; V252-E254 VanDerWaalsContact C-N 3.28Å; V252-E254 PolarHBondContact O-N 3.35Å; V252-H255 PolarHBondContact O-N 2.84Å; V252-V256 HydrophobicContact CG1-CG2 4.01Å; V252-V256 WeakPolarHBondContact O-CB 3.36Å; V252-V256 WeakPolarHBondContact O-CG2 3.43Å; V252-V256 PolarHBondContact O-N 2.96Å; V252-F263 HydrophobicContact CB-CE2 4.2Å; V252-F263 HydrophobicContact CG1-CD2 4.27Å; V252-F263 HydrophobicContact CG1-CE2 3.79Å
253	A	98.8	Very high	98.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.3	-37.7	177.9	0	0	0	0	0	112.1	F249 Q250 Q251 R257 F263 F289	F249-A253 VanDerWaalsContact O-CB 3.24Å; F249-A253 WeakPolarHBondContact O-CB 3.34Å; F249-A253 PolarHBondContact O-N 3.19Å; Q250-A253 PolarHBondContact O-N 3.32Å; Q251-A253 PolarHBondContact O-N 2.9Å; A253-R257 VanDerWaalsContact O-CB 3.26Å; A253-R257 WeakPolarHBondContact O-CB 3.1Å; A253-R257 WeakPolarHBondContact O-CD 3.34Å; A253-R257 WeakPolarHBondContact O-CG 3.36Å; A253-R257 PolarHBondContact O-N 3.18Å; A253-F263 HydrophobicContact CB-CB 4.27Å; A253-F263 HydrophobicContact CB-CD2 3.62Å; A253-F263 HydrophobicContact CB-CE2 4.29Å; A253-F263 HydrophobicContact CB-CG 4.19Å; A253-F289 HydrophobicContact CB-CE2 3.92Å
254	E	98.6	Very high	98.4	Very high	84 Å²	84	32.9 Å²	32.9	39%	0.393	18%	0.178	S	C	.	.	H	α-helix	trans	-61.4	-46.7	173	-72.3	-179.5	-158.1	0	0	112.4	Q250 Q251 V252 K258	Q250-E254 WeakPolarHBondContact O-CG 3.32Å; Q250-E254 PolarHBondContact O-N 3.18Å; Q251-E254 WeakPolarHBondContact O-CB 3.34Å; Q251-E254 PolarHBondContact O-N 3.13Å; V252-E254 VanDerWaalsContact C-N 3.28Å; V252-E254 PolarHBondContact O-N 3.35Å; E254-K258 WeakPolarHBondContact O-CB 3.28Å; E254-K258 WeakPolarHBondContact O-CD 3.46Å; E254-K258 WeakPolarHBondContact O-CG 3.24Å; E254-K258 PolarHBondContact O-N 3.22Å; E254-K258 IonicContact OE2-NZ 3.82Å
255	H	98.8	Very high	98.4	Very high	33 Å²	33	32.8 Å²	32.8	15%	0.153	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-46	177.9	-63.1	-49.9	0	0	0	111.9	I217 Q251 V252 K258 A259	I217-H255 HydrophobicContact CD1-CB 3.89Å; Q251-H255 PolarHBondContact O-CD2 2.98Å; Q251-H255 PolarHBondContact O-N 3.4Å; V252-H255 PolarHBondContact O-N 2.84Å; H255-K258 PolarHBondContact O-N 3.21Å; H255-A259 PolarHBondContact O-N 2.72Å; H255-A259 VanDerWaalsContact O-N 3.11Å
256	V	98.9	Very high	98.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.7	-44.6	-178.5	171.6	0	0	0	0	111.2	V213 I217 F230 V252 A259 G260 G261	V213-V256 HydrophobicContact CG1-CG2 4.39Å; I217-V256 HydrophobicContact CD1-CG2 4.13Å; F230-V256 HydrophobicContact CB-CB 4.47Å; F230-V256 HydrophobicContact CB-CG1 4.22Å; F230-V256 HydrophobicContact CB-CG2 3.55Å; F230-V256 HydrophobicContact CG-CG2 4.35Å; V252-V256 HydrophobicContact CG1-CG2 4.01Å; V252-V256 WeakPolarHBondContact O-CB 3.36Å; V252-V256 WeakPolarHBondContact O-CG2 3.43Å; V252-V256 PolarHBondContact O-N 2.96Å; V256-A259 WeakPolarHBondContact O-CB 3.39Å; V256-A259 PolarHBondContact O-N 3.4Å; V256-A259 VanDerWaalsContact O-N 3.13Å; V256-G260 PolarHBondContact O-N 3.2Å; V256-G261 WeakPolarHBondContact O-CA 3.49Å; V256-G261 PolarHBondContact O-N 3.3Å
257	R	98.7	Very high	98.6	Very high	86 Å²	86	26.7 Å²	26.7	33%	0.325	14%	0.14	S	C	.	.	H	α-helix	trans	-67.5	-39.4	177.8	-71.1	167.9	179.1	155	-0.2	112.3	A253 A259 G260 V290 D292	A253-R257 VanDerWaalsContact O-CB 3.26Å; A253-R257 WeakPolarHBondContact O-CB 3.1Å; A253-R257 WeakPolarHBondContact O-CD 3.34Å; A253-R257 WeakPolarHBondContact O-CG 3.36Å; A253-R257 PolarHBondContact O-N 3.18Å; R257-A259 PolarHBondContact O-N 3.38Å; R257-G260 PolarHBondContact O-N 2.98Å; R257-V290 PolarHBondContact NH2-O 3.32Å; R257-D292 IonicContact CZ-OD1 2.72Å; R257-D292 IonicContact CZ-OD2 3.89Å; R257-D292 IonicContact NE-OD1 3.52Å; R257-D292 IonicContact NE-OD2 3.77Å; R257-D292 PolarHBondContact NE-OD2 2.67Å; R257-D292 VanDerWaalsContact NH2-CG 3.35Å; R257-D292 IonicContact NH2-OD1 2.87Å; R257-D292 PolarHBondContact NH2-OD1 2.92Å; R257-D292 IonicContact NH2-OD2 3.74Å; R257-D292 PolarHBondContact NH2-OD2 2.99Å
258	K	98.6	Very high	98.7	Very high	156 Å²	156	26.1 Å²	26.1	68%	0.678	13%	0.132	S	C	*	.	H	α-helix	trans	-59.7	-28.8	172.2	-76	167.7	-175.7	161.2	0	112.1	E254 H255 G260	E254-K258 WeakPolarHBondContact O-CB 3.28Å; E254-K258 WeakPolarHBondContact O-CD 3.46Å; E254-K258 WeakPolarHBondContact O-CG 3.24Å; E254-K258 PolarHBondContact O-N 3.22Å; E254-K258 IonicContact OE2-NZ 3.82Å; H255-K258 PolarHBondContact O-N 3.21Å; K258-G260 VanDerWaalsContact C-N 3.32Å
259	A	98.4	Very high	98.7	Very high	15 Å²	15	26.9 Å²	26.9	12%	0.124	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.1	174.6	0	0	0	0	0	114.4	I217 H255 V256 R257	I217-A259 HydrophobicContact CD1-CB 4.48Å; I217-A259 HydrophobicContact CG2-CB 3.56Å; H255-A259 PolarHBondContact O-N 2.72Å; H255-A259 VanDerWaalsContact O-N 3.11Å; V256-A259 WeakPolarHBondContact O-CB 3.39Å; V256-A259 PolarHBondContact O-N 3.4Å; V256-A259 VanDerWaalsContact O-N 3.13Å; R257-A259 PolarHBondContact O-N 3.38Å
260	G	98.1	Very high	98.6	Very high	43 Å²	43	26.9 Å²	26.9	44%	0.443	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	11.5	-176	0	0	0	0	0	114.6	T146 V256 R257 K258	T146-G260 WeakPolarHBondContact CG2-O 3.37Å; V256-G260 PolarHBondContact O-N 3.2Å; R257-G260 PolarHBondContact O-N 2.98Å; K258-G260 VanDerWaalsContact C-N 3.32Å
261	G	98.8	Very high	98.7	Very high	5 Å²	5	24.1 Å²	24.1	5%	0.052	12%	0.123	C	C	.	.			trans	-92.3	173.3	174.5	0	0	0	0	0	113.3	I227 A228 V256	I227-G261 WeakPolarHBondContact O-CA 3.35Å; A228-G261 WeakPolarHBondContact O-CA 3.47Å; V256-G261 WeakPolarHBondContact O-CA 3.49Å; V256-G261 PolarHBondContact O-N 3.3Å
262	V	98.9	Very high	98.7	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.024	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	155.7	174.6	-67.3	0	0	0	0	112.6	A142 Y145 T146 A228 A229 F230 D292 I293	A142-V262 HydrophobicContact CB-CG2 3.53Å; Y145-V262 HydrophobicContact CD1-CG1 3.45Å; Y145-V262 VanDerWaalsContact CD1-CG1 3.45Å; Y145-V262 HydrophobicContact CE1-CG1 3.49Å; Y145-V262 VanDerWaalsContact CE1-CG1 3.49Å; T146-V262 HydrophobicContact CG2-CG1 4.29Å; A228-V262 WeakPolarHBondContact O-CG2 3.31Å; A228-V262 PolarHBondContact O-N 2.98Å; A229-V262 WeakPolarHBondContact CA-O 3.39Å; A229-V262 HydrophobicContact CB-CG2 4.02Å; A229-V262 WeakPolarHBondContact CB-O 3.49Å; F230-V262 PolarHBondContact N-O 2.61Å; V262-D292 HydrophobicContact CB-CB 3.88Å; V262-D292 HydrophobicContact CG1-CB 4.16Å; V262-I293 HydrophobicContact CG2-CD1 4.29Å
263	F	98.9	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.9	175.2	-162.7	-70.2	0	0	0	111.5	F230 F249 V252 A253 T265 F289 P291 D292 I293	F230-F263 AromaticContact CD1-CD2 3.73Å; F230-F263 HydrophobicContact CD1-CD2 3.73Å; F230-F263 HydrophobicContact CD1-CE1 4.16Å; F230-F263 AromaticContact CD1-CE2 3.29Å; F230-F263 HydrophobicContact CD1-CE2 3.29Å; F230-F263 HydrophobicContact CD1-CG 4.39Å; F230-F263 AromaticContact CD1-CZ 3.53Å; F230-F263 HydrophobicContact CD1-CZ 3.53Å; F230-F263 HydrophobicContact CE1-CD2 4.38Å; F230-F263 HydrophobicContact CE1-CE1 4.28Å; F230-F263 AromaticContact CE1-CE2 3.5Å; F230-F263 HydrophobicContact CE1-CE2 3.5Å; F230-F263 AromaticContact CE1-CZ 3.43Å; F230-F263 HydrophobicContact CE1-CZ 3.43Å; F230-F263 VanDerWaalsContact CE1-CZ 3.43Å; F230-F263 HydrophobicContact CG-CE2 4.33Å; F249-F263 HydrophobicContact CB-CE2 4.22Å; F249-F263 HydrophobicContact CB-CZ 3.94Å; F249-F263 HydrophobicContact CD1-CE2 4.15Å; F249-F263 AromaticContact CD1-CZ 3.56Å; F249-F263 HydrophobicContact CD1-CZ 3.56Å; F249-F263 HydrophobicContact CD2-CZ 4.41Å; F249-F263 HydrophobicContact CE1-CZ 4.07Å; F249-F263 HydrophobicContact CG-CE2 4.42Å; F249-F263 AromaticContact CG-CZ 3.76Å; F249-F263 HydrophobicContact CG-CZ 3.76Å; V252-F263 HydrophobicContact CB-CE2 4.2Å; V252-F263 HydrophobicContact CG1-CD2 4.27Å; V252-F263 HydrophobicContact CG1-CE2 3.79Å; A253-F263 HydrophobicContact CB-CB 4.27Å; A253-F263 HydrophobicContact CB-CD2 3.62Å; A253-F263 HydrophobicContact CB-CE2 4.29Å; A253-F263 HydrophobicContact CB-CG 4.19Å; F263-T265 HydrophobicContact CD1-CG2 3.89Å; F263-T265 HydrophobicContact CE1-CG2 3.49Å; F263-T265 VanDerWaalsContact CE1-CG2 3.49Å; F263-F289 AromaticContact CD1-CZ 3.95Å; F263-F289 HydrophobicContact CD1-CZ 3.95Å; F263-F289 AromaticContact CE1-CZ 3.74Å; F263-F289 HydrophobicContact CE1-CZ 3.74Å; F263-F289 HydrophobicContact CE2-CE2 4.5Å; F263-F289 HydrophobicContact CE2-CZ 4.24Å; F263-F289 HydrophobicContact CG-CZ 4.35Å; F263-F289 AromaticContact CZ-CZ 3.86Å; F263-F289 HydrophobicContact CZ-CZ 3.86Å; F263-P291 HydrophobicContact CD1-CB 4.05Å; F263-D292 PolarHBondContact N-OD2 2.86Å; F263-D292 PolarHBondContact O-N 2.98Å; F263-I293 PolarHBondContact O-N 3.18Å; F263-I293 VanDerWaalsContact O-N 3.11Å
264	I	98.9	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.8	176.5	-49	176.5	0	0	0	109.7	A138 L139 A142 A229 F230 I231 A232 I293 T295	A138-I264 HydrophobicContact CB-CD1 4.2Å; A138-I264 HydrophobicContact CB-CG2 4.02Å; L139-I264 HydrophobicContact CD2-CD1 4.32Å; A142-I264 HydrophobicContact CB-CD1 4.18Å; A229-I264 HydrophobicContact CB-CD1 3.66Å; A229-I264 HydrophobicContact CB-CG1 4.03Å; F230-I264 PolarHBondContact O-N 3.06Å; I231-I264 WeakPolarHBondContact CA-O 3.36Å; I231-I264 HydrophobicContact CB-CB 4.06Å; I231-I264 HydrophobicContact CB-CD1 4.48Å; I231-I264 HydrophobicContact CD1-CB 4.44Å; I231-I264 HydrophobicContact CD1-CG2 4.01Å; I231-I264 HydrophobicContact CG1-CB 3.96Å; I231-I264 HydrophobicContact CG1-CG2 3.93Å; A232-I264 PolarHBondContact N-O 3.39Å; A232-I264 VanDerWaalsContact N-O 3.12Å; I264-I293 WeakPolarHBondContact CA-O 3.34Å; I264-I293 HydrophobicContact CB-CB 4.49Å; I264-I293 HydrophobicContact CD1-CD1 4.43Å; I264-I293 HydrophobicContact CG1-CB 4.14Å; I264-I293 HydrophobicContact CG1-CD1 4.22Å; I264-I293 HydrophobicContact CG1-CG1 4.48Å; I264-I293 HydrophobicContact CG2-CB 4.25Å; I264-I293 HydrophobicContact CG2-CG2 4.35Å; I264-T295 HydrophobicContact CG2-CG2 4.32Å
265	T	98.8	Very high	98.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.7	169.4	53.2	0	0	0	0	110.7	F263 F282 F289 P291 I293 V294 T295	F263-T265 HydrophobicContact CD1-CG2 3.89Å; F263-T265 HydrophobicContact CE1-CG2 3.49Å; F263-T265 VanDerWaalsContact CE1-CG2 3.49Å; T265-F282 HydrophobicContact CG2-CB 3.84Å; T265-F282 HydrophobicContact CG2-CG 4.41Å; T265-F289 HydrophobicContact CG2-CE1 4.13Å; T265-F289 HydrophobicContact CG2-CZ 4.38Å; T265-P291 HydrophobicContact CG2-CB 3.66Å; T265-P291 HydrophobicContact CG2-CG 3.9Å; T265-P291 WeakPolarHBondContact OG1-CG 3.39Å; T265-I293 PolarHBondContact N-O 3.21Å; T265-V294 WeakPolarHBondContact O-CA 3.49Å; T265-T295 PolarHBondContact O-N 3.13Å
266	D	98.9	Very high	98.7	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.032	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	106	170.2	-177.6	-18.5	0	0	0	110.1	N135 H159 A232 E233 S234 V268 T295	N135-D266 PolarHBondContact ND2-OD2 3.17Å; H159-D266 IonicContact CE1-OD2 3.94Å; H159-D266 IonicContact CG-OD2 3.8Å; H159-D266 IonicContact ND1-OD2 2.79Å; H159-D266 PolarHBondContact ND1-OD2 2.85Å; A232-D266 PolarHBondContact O-N 3.02Å; E233-D266 WeakPolarHBondContact CA-O 3.12Å; E233-D266 HydrophobicContact CG-CB 4.37Å; S234-D266 PolarHBondContact N-O 3.49Å; D266-V268 WeakPolarHBondContact OD1-CB 3.4Å; D266-V268 WeakPolarHBondContact OD1-CG2 3.3Å; D266-V268 PolarHBondContact OD1-N 3Å; D266-T295 WeakPolarHBondContact CA-OG1 3.42Å
267	E	98.9	Very high	98.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.			trans	-101	10.3	178	-70.4	-74.6	162.6	0	0	112	S234 Q269 V270 G271 W280 A281 F282 V294 T295	S234-E267 VanDerWaalsContact CB-OE1 3.25Å; S234-E267 WeakPolarHBondContact CB-OE1 3.15Å; S234-E267 PolarHBondContact OG-OE1 2.69Å; E267-Q269 PolarHBondContact O-N 2.81Å; E267-V270 PolarHBondContact O-N 3.27Å; E267-G271 PolarHBondContact O-N 3.21Å; E267-G271 WeakPolarHBondContact OE2-CA 3.43Å; E267-G271 PolarHBondContact OE2-N 2.66Å; E267-W280 HydrophobicContact CB-CE3 3.79Å; E267-W280 HydrophobicContact CB-CZ3 3.98Å; E267-W280 HydrophobicContact CG-CE3 3.84Å; E267-W280 HydrophobicContact CG-CZ3 4.5Å; E267-A281 VanDerWaalsContact CD-N 3.35Å; E267-A281 PolarHBondContact OE1-N 2.92Å; E267-A281 VanDerWaalsContact OE1-N 3.08Å; E267-A281 WeakPolarHBondContact OE2-CB 3.47Å; E267-A281 PolarHBondContact OE2-N 3.3Å; E267-F282 HydrophobicContact CG-CD1 4.16Å; E267-F282 WeakPolarHBondContact OE1-CB 3.17Å; E267-F282 WeakPolarHBondContact OE1-CD1 3.14Å; E267-F282 PolarHBondContact OE1-N 3.26Å; E267-V294 HydrophobicContact CB-CG1 4.18Å; E267-V294 HydrophobicContact CG-CG1 3.8Å; E267-T295 CarbonylContact C-O 3.58Å; E267-T295 WeakPolarHBondContact CA-O 3.28Å; E267-T295 VanDerWaalsContact CB-O 3.31Å; E267-T295 WeakPolarHBondContact CB-O 3.46Å; E267-T295 PolarHBondContact N-O 3.2Å
268	V	98.7	Very high	98.6	Very high	8 Å²	8	19 Å²	19	5%	0.048	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.5	-172.9	171.6	0	0	0	0	112.1	D266 K298 P299	D266-V268 WeakPolarHBondContact OD1-CB 3.4Å; D266-V268 WeakPolarHBondContact OD1-CG2 3.3Å; D266-V268 PolarHBondContact OD1-N 3Å; V268-K298 HydrophobicContact CG1-CB 4.38Å; V268-K298 HydrophobicContact CG1-CD 3.86Å; V268-K298 HydrophobicContact CG1-CG 3.85Å; V268-K298 WeakPolarHBondContact O-CB 3.32Å; V268-P299 VanDerWaalsContact O-CD 3.28Å; V268-P299 WeakPolarHBondContact O-CD 2.91Å
269	Q	98	Very high	98.6	Very high	16 Å²	16	12.9 Å²	12.9	8%	0.075	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-28.8	-179.7	-65	-84	39.8	0	0	114	N74 E267 K298	N74-Q269 PolarHBondContact ND2-O 3.3Å; N74-Q269 PolarHBondContact ND2-OE1 3.48Å; N74-Q269 PolarHBondContact OD1-OE1 3.17Å; E267-Q269 PolarHBondContact O-N 2.81Å; Q269-K298 VanDerWaalsContact OE1-CD 3.29Å; Q269-K298 VanDerWaalsContact OE1-NZ 3.12Å
270	V	98.4	Very high	98.6	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.006	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	1.4	-158	-67	0	0	0	0	114.4	L235 E267 R274 A281 F386	L235-V270 HydrophobicContact CB-CG1 4.27Å; E267-V270 PolarHBondContact O-N 3.27Å; V270-R274 WeakPolarHBondContact O-CB 3.46Å; V270-A281 HydrophobicContact CB-CB 3.86Å; V270-A281 HydrophobicContact CG2-CB 3.67Å; V270-F386 HydrophobicContact CG1-CD2 3.66Å; V270-F386 HydrophobicContact CG1-CE1 4.39Å; V270-F386 HydrophobicContact CG1-CE2 3.47Å; V270-F386 VanDerWaalsContact CG1-CE2 3.47Å; V270-F386 HydrophobicContact CG1-CG 4.18Å; V270-F386 HydrophobicContact CG1-CZ 3.86Å
271	G	98.4	Very high	98.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-169.5	172.5	0	0	0	0	0	114.6	E267 G273 R274 F279	E267-G271 PolarHBondContact O-N 3.21Å; E267-G271 WeakPolarHBondContact OE2-CA 3.43Å; E267-G271 PolarHBondContact OE2-N 2.66Å; G271-G273 VanDerWaalsContact C-N 3.34Å; G271-G273 PolarHBondContact O-N 3.09Å; G271-R274 WeakPolarHBondContact O-CB 3.2Å; G271-R274 PolarHBondContact O-N 2.99Å; G271-F279 CarbonylContact C-O 3.53Å
272	F	98.8	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	38	173.7	-64.3	-95.2	0	0	0	114.9	H77 L114 R274 F279 W280 M296 P299 I300 L344 I347	H77-F272 PolarHBondContact CE1-O 3.31Å; H77-F272 WeakPolarHBondContact NE2-CB 3.22Å; H77-F272 PolarHBondContact NE2-O 3.32Å; L114-F272 HydrophobicContact CD2-CE1 3.92Å; L114-F272 HydrophobicContact CD2-CZ 3.93Å; F272-R274 VanDerWaalsContact C-N 3.34Å; F272-R274 PolarHBondContact O-N 3.4Å; F272-F279 HydrophobicContact CB-CZ 4.47Å; F272-F279 HydrophobicContact CD1-CE1 4.08Å; F272-F279 AromaticContact CD1-CZ 3.88Å; F272-F279 HydrophobicContact CD1-CZ 3.88Å; F272-F279 HydrophobicContact CG-CE1 4.35Å; F272-F279 HydrophobicContact CG-CZ 4.42Å; F272-F279 PolarHBondContact N-O 2.95Å; F272-W280 AromaticContact CD2-CH2 3.93Å; F272-W280 HydrophobicContact CD2-CH2 3.93Å; F272-W280 AromaticContact CD2-CZ3 3.92Å; F272-W280 HydrophobicContact CD2-CZ3 3.92Å; F272-W280 HydrophobicContact CE1-CH2 4.39Å; F272-W280 AromaticContact CE2-CH2 3.52Å; F272-W280 HydrophobicContact CE2-CH2 3.52Å; F272-W280 AromaticContact CE2-CZ3 3.81Å; F272-W280 HydrophobicContact CE2-CZ3 3.81Å; F272-W280 AromaticContact CZ-CH2 3.76Å; F272-W280 HydrophobicContact CZ-CH2 3.76Å; F272-W280 HydrophobicContact CZ-CZ3 4.49Å; F272-M296 HydrophobicContact CE2-CB 4.13Å; F272-M296 HydrophobicContact CE2-SD 4.35Å; F272-M296 HydrophobicContact CZ-SD 4.11Å; F272-P299 HydrophobicContact CB-CB 3.96Å; F272-P299 HydrophobicContact CD2-CB 3.64Å; F272-P299 HydrophobicContact CD2-CG 4.38Å; F272-P299 HydrophobicContact CE2-CB 4.37Å; F272-P299 HydrophobicContact CG-CB 3.9Å; F272-I300 HydrophobicContact CE1-CB 4.46Å; F272-I300 HydrophobicContact CE1-CG1 4.39Å; F272-I300 HydrophobicContact CE2-CB 3.92Å; F272-I300 HydrophobicContact CE2-CG1 4.39Å; F272-I300 HydrophobicContact CZ-CB 3.66Å; F272-I300 HydrophobicContact CZ-CD1 4.4Å; F272-I300 HydrophobicContact CZ-CG1 3.68Å; F272-L344 HydrophobicContact CD1-CD2 4.04Å; F272-L344 HydrophobicContact CE1-CD2 3.91Å; F272-I347 HydrophobicContact CB-CD1 4.04Å; F272-I347 HydrophobicContact CD1-CD1 4.03Å
273	G	98.6	Very high	98.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	6	174.5	0	0	0	0	0	115.1	G271 V275 G276 R278 F279 A356	G271-G273 VanDerWaalsContact C-N 3.34Å; G271-G273 PolarHBondContact O-N 3.09Å; G273-V275 VanDerWaalsContact C-N 3.25Å; G273-V275 PolarHBondContact O-N 3.46Å; G273-G276 PolarHBondContact O-N 2.88Å; G273-R278 WeakPolarHBondContact CA-O 3.47Å; G273-F279 PolarHBondContact N-O 3Å; G273-A356 WeakPolarHBondContact O-CB 3.35Å
274	R	98.8	Very high	98.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-41.8	-179.6	175.4	59.1	53.5	-170.3	-2.2	113.8	H77 V270 G271 F272 G276 L385 F386 P433	H77-R274 PolarHBondContact ND1-NH2 3.35Å; V270-R274 WeakPolarHBondContact O-CB 3.46Å; G271-R274 WeakPolarHBondContact O-CB 3.2Å; G271-R274 PolarHBondContact O-N 2.99Å; F272-R274 VanDerWaalsContact C-N 3.34Å; F272-R274 PolarHBondContact O-N 3.4Å; R274-G276 PolarHBondContact O-N 3.38Å; R274-L385 WeakPolarHBondContact CD-O 3.26Å; R274-L385 PolarHBondContact NH1-O 3.06Å; R274-L385 VanDerWaalsContact NH1-O 3.17Å; R274-L385 PolarHBondContact O-N 3.36Å; R274-F386 HydrophobicContact CG-CB 3.97Å; R274-P433 PolarHBondContact NH1-O 2.86Å; R274-P433 PolarHBondContact NH2-O 3.44Å
275	V	98.6	Very high	98.5	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.006	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-6.2	-178.4	-61.7	0	0	0	0	113.4	L235 G273 S277 R278 A281 L284 R383 G384	L235-V275 HydrophobicContact CD1-CG1 4.33Å; L235-V275 HydrophobicContact CD2-CG1 4.37Å; G273-V275 VanDerWaalsContact C-N 3.25Å; G273-V275 PolarHBondContact O-N 3.46Å; V275-S277 VanDerWaalsContact C-N 3.3Å; V275-S277 PolarHBondContact O-N 3.48Å; V275-R278 HydrophobicContact CG2-CB 4.09Å; V275-A281 HydrophobicContact CG1-CB 3.68Å; V275-A281 HydrophobicContact CG2-CB 4.48Å; V275-L284 HydrophobicContact CB-CD1 4.11Å; V275-L284 HydrophobicContact CG1-CD1 3.99Å; V275-L284 HydrophobicContact CG2-CD1 4.34Å; V275-L284 HydrophobicContact CG2-CG 4.42Å; V275-R383 HydrophobicContact CB-CB 3.98Å; V275-R383 HydrophobicContact CG1-CB 4.16Å; V275-G384 PolarHBondContact O-N 3.1Å
276	G	98.6	Very high	98.3	Very high	2 Å²	2	15.6 Å²	15.6	2%	0.021	9%	0.086	C	C	.	.	S	Bend	trans	78.9	-63.1	176.6	0	0	0	0	0	113.9	G273 R274 R278 R353	G273-G276 PolarHBondContact O-N 2.88Å; R274-G276 PolarHBondContact O-N 3.38Å; G276-R278 PolarHBondContact O-N 3.22Å; G276-R353 WeakPolarHBondContact CA-O 3.31Å; G276-R353 WeakPolarHBondContact O-CD 3.07Å; G276-R353 WeakPolarHBondContact O-CG 3.01Å
277	S	98.2	Very high	97.9	Very high	60 Å²	60	20.5 Å²	20.5	42%	0.42	11%	0.112	S	C	.	.	S	Bend	trans	-67.6	-19.4	-174.8	55.8	0	0	0	0	114.4	V275 L284	V275-S277 VanDerWaalsContact C-N 3.3Å; V275-S277 PolarHBondContact O-N 3.48Å; S277-L284 WeakPolarHBondContact OG-CD2 3.45Å
278	R	98.4	Very high	97.6	Very high	81 Å²	81	27.5 Å²	27.5	31%	0.306	15%	0.15	S	C	.	.			trans	-139.1	160	-175.6	-62.7	-64.2	-171.1	175.4	-2.1	110.6	G273 V275 G276 W280 Q283 L284 D287	G273-R278 WeakPolarHBondContact CA-O 3.47Å; V275-R278 HydrophobicContact CG2-CB 4.09Å; G276-R278 PolarHBondContact O-N 3.22Å; R278-W280 WeakPolarHBondContact CB-O 3.38Å; R278-Q283 HydrophobicContact CB-CB 3.87Å; R278-Q283 HydrophobicContact CG-CB 3.73Å; R278-L284 HydrophobicContact CG-CD2 4.22Å; R278-D287 IonicContact CZ-OD1 2.72Å; R278-D287 IonicContact CZ-OD2 3.5Å; R278-D287 IonicContact NH1-OD1 3.27Å; R278-D287 PolarHBondContact NH1-OD1 3.41Å; R278-D287 IonicContact NH1-OD2 3.83Å; R278-D287 IonicContact NH2-OD1 2.69Å; R278-D287 PolarHBondContact NH2-OD1 2.92Å; R278-D287 IonicContact NH2-OD2 2.67Å; R278-D287 PolarHBondContact NH2-OD2 3.34Å
279	F	98.6	Very high	97.6	Very high	27 Å²	27	27.3 Å²	27.3	12%	0.118	15%	0.148	C	C	.	.	S	Bend	trans	-80.5	-39.2	176.2	-165.5	-84.5	0	0	0	111.1	T117 G271 F272 G273 L344 I347	T117-F279 HydrophobicContact CG2-CD1 4.13Å; T117-F279 HydrophobicContact CG2-CD2 4.42Å; T117-F279 HydrophobicContact CG2-CE1 3.87Å; T117-F279 HydrophobicContact CG2-CE2 4.2Å; T117-F279 HydrophobicContact CG2-CG 4.39Å; T117-F279 HydrophobicContact CG2-CZ 3.91Å; G271-F279 CarbonylContact C-O 3.53Å; F272-F279 HydrophobicContact CB-CZ 4.47Å; F272-F279 HydrophobicContact CD1-CE1 4.08Å; F272-F279 AromaticContact CD1-CZ 3.88Å; F272-F279 HydrophobicContact CD1-CZ 3.88Å; F272-F279 HydrophobicContact CG-CE1 4.35Å; F272-F279 HydrophobicContact CG-CZ 4.42Å; F272-F279 PolarHBondContact N-O 2.95Å; G273-F279 PolarHBondContact N-O 3Å; F279-L344 HydrophobicContact CZ-CD2 3.84Å; F279-I347 HydrophobicContact CE2-CG2 4.24Å
280	W	98.8	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-112.7	140.1	173.9	-58.3	104.7	0	0	0	110.1	T117 L118 E267 F272 R278 F282 Q283 M296	T117-W280 PolarHBondContact O-NE1 3.03Å; T117-W280 VanDerWaalsContact O-NE1 3.16Å; T117-W280 PolarHBondContact OG1-NE1 3.33Å; L118-W280 VanDerWaalsContact CD2-CD1 3.44Å; L118-W280 HydrophobicContact CD2-CD2 4.1Å; L118-W280 HydrophobicContact CD2-CG 3.96Å; L118-W280 HydrophobicContact CD2-CZ2 4.4Å; L118-W280 HydrophobicContact CG-CZ2 4.47Å; E267-W280 HydrophobicContact CB-CE3 3.79Å; E267-W280 HydrophobicContact CB-CZ3 3.98Å; E267-W280 HydrophobicContact CG-CE3 3.84Å; E267-W280 HydrophobicContact CG-CZ3 4.5Å; F272-W280 AromaticContact CD2-CH2 3.93Å; F272-W280 HydrophobicContact CD2-CH2 3.93Å; F272-W280 AromaticContact CD2-CZ3 3.92Å; F272-W280 HydrophobicContact CD2-CZ3 3.92Å; F272-W280 HydrophobicContact CE1-CH2 4.39Å; F272-W280 AromaticContact CE2-CH2 3.52Å; F272-W280 HydrophobicContact CE2-CH2 3.52Å; F272-W280 AromaticContact CE2-CZ3 3.81Å; F272-W280 HydrophobicContact CE2-CZ3 3.81Å; F272-W280 AromaticContact CZ-CH2 3.76Å; F272-W280 HydrophobicContact CZ-CH2 3.76Å; F272-W280 HydrophobicContact CZ-CZ3 4.49Å; R278-W280 WeakPolarHBondContact CB-O 3.38Å; W280-F282 VanDerWaalsContact C-N 3.32Å; W280-F282 HydrophobicContact CB-CD1 3.6Å; W280-F282 HydrophobicContact CB-CE1 3.35Å; W280-F282 HydrophobicContact CB-CG 4.45Å; W280-F282 HydrophobicContact CB-CZ 4.04Å; W280-F282 HydrophobicContact CG-CD1 4.42Å; W280-F282 AromaticContact CG-CE1 3.77Å; W280-F282 HydrophobicContact CG-CE1 3.77Å; W280-F282 HydrophobicContact CG-CZ 4.41Å; W280-F282 PolarHBondContact O-N 3.29Å; W280-Q283 HydrophobicContact CB-CG 4.16Å; W280-Q283 VanDerWaalsContact O-CB 3.32Å; W280-Q283 WeakPolarHBondContact O-CB 3.22Å; W280-Q283 PolarHBondContact O-N 3.47Å; W280-Q283 PolarHBondContact O-OE1 3.46Å; W280-M296 HydrophobicContact CH2-CB 4.14Å; W280-M296 HydrophobicContact CH2-CE 3.36Å; W280-M296 HydrophobicContact CH2-CG 4.45Å; W280-M296 HydrophobicContact CH2-SD 3.49Å; W280-M296 WeakPolarHBondContact CH2-SD 3.16Å; W280-M296 HydrophobicContact CZ2-CE 3.7Å; W280-M296 HydrophobicContact CZ2-SD 4.14Å; W280-M296 HydrophobicContact CZ3-CB 4.03Å; W280-M296 HydrophobicContact CZ3-CE 3.97Å; W280-M296 HydrophobicContact CZ3-SD 4.3Å
281	A	98.7	Very high	97.6	Very high	2 Å²	2	28 Å²	28	2%	0.017	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-70.3	-29.1	-172.6	0	0	0	0	0	113.4	L235 E267 V270 V275 Q283 L284	L235-A281 HydrophobicContact CD1-CB 3.49Å; L235-A281 VanDerWaalsContact CD1-CB 3.49Å; E267-A281 VanDerWaalsContact CD-N 3.35Å; E267-A281 PolarHBondContact OE1-N 2.92Å; E267-A281 VanDerWaalsContact OE1-N 3.08Å; E267-A281 WeakPolarHBondContact OE2-CB 3.47Å; E267-A281 PolarHBondContact OE2-N 3.3Å; V270-A281 HydrophobicContact CB-CB 3.86Å; V270-A281 HydrophobicContact CG2-CB 3.67Å; V275-A281 HydrophobicContact CG1-CB 3.68Å; V275-A281 HydrophobicContact CG2-CB 4.48Å; A281-Q283 PolarHBondContact O-N 3.13Å; A281-Q283 VanDerWaalsContact O-N 3.16Å; A281-L284 VanDerWaalsContact O-CB 3.23Å; A281-L284 WeakPolarHBondContact O-CB 3.42Å; A281-L284 VanDerWaalsContact O-CG 3.23Å; A281-L284 WeakPolarHBondContact O-CG 3.46Å; A281-L284 PolarHBondContact O-N 2.9Å
282	F	98.7	Very high	97.6	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.009	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-58.1	-28.5	175.2	74.2	-106	0	0	0	112.5	L118 P119 T265 E267 W280 L284 Q285 F289 P291 V294	L118-F282 HydrophobicContact CD2-CE1 3.95Å; L118-F282 HydrophobicContact CD2-CZ 4.06Å; P119-F282 HydrophobicContact CG-CE2 4.16Å; P119-F282 HydrophobicContact CG-CZ 4.16Å; T265-F282 HydrophobicContact CG2-CB 3.84Å; T265-F282 HydrophobicContact CG2-CG 4.41Å; E267-F282 HydrophobicContact CG-CD1 4.16Å; E267-F282 WeakPolarHBondContact OE1-CB 3.17Å; E267-F282 WeakPolarHBondContact OE1-CD1 3.14Å; E267-F282 PolarHBondContact OE1-N 3.26Å; W280-F282 VanDerWaalsContact C-N 3.32Å; W280-F282 HydrophobicContact CB-CD1 3.6Å; W280-F282 HydrophobicContact CB-CE1 3.35Å; W280-F282 HydrophobicContact CB-CG 4.45Å; W280-F282 HydrophobicContact CB-CZ 4.04Å; W280-F282 HydrophobicContact CG-CD1 4.42Å; W280-F282 AromaticContact CG-CE1 3.77Å; W280-F282 HydrophobicContact CG-CE1 3.77Å; W280-F282 HydrophobicContact CG-CZ 4.41Å; W280-F282 PolarHBondContact O-N 3.29Å; F282-L284 PolarHBondContact O-N 3.18Å; F282-Q285 WeakPolarHBondContact O-CB 3.28Å; F282-Q285 PolarHBondContact O-N 3.05Å; F282-F289 HydrophobicContact CB-CD1 4.21Å; F282-F289 HydrophobicContact CB-CE1 3.94Å; F282-F289 HydrophobicContact CD2-CD1 4.05Å; F282-F289 HydrophobicContact CD2-CE1 4.34Å; F282-P291 HydrophobicContact CD1-CG 4.34Å; F282-P291 HydrophobicContact CD2-CG 4.36Å; F282-P291 HydrophobicContact CE1-CG 4.35Å; F282-P291 HydrophobicContact CE2-CG 4.38Å; F282-P291 HydrophobicContact CG-CG 4.37Å; F282-P291 HydrophobicContact CZ-CG 4.38Å; F282-V294 HydrophobicContact CE1-CG2 4.11Å
283	Q	98.4	Very high	97.6	Very high	32 Å²	32	28.5 Å²	28.5	15%	0.15	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-65.7	-9.6	177.9	-59.7	172.4	-41.5	0	0	112.7	R278 W280 A281 Q285 G286	R278-Q283 HydrophobicContact CB-CB 3.87Å; R278-Q283 HydrophobicContact CG-CB 3.73Å; W280-Q283 HydrophobicContact CB-CG 4.16Å; W280-Q283 VanDerWaalsContact O-CB 3.32Å; W280-Q283 WeakPolarHBondContact O-CB 3.22Å; W280-Q283 PolarHBondContact O-N 3.47Å; W280-Q283 PolarHBondContact O-OE1 3.46Å; A281-Q283 PolarHBondContact O-N 3.13Å; A281-Q283 VanDerWaalsContact O-N 3.16Å; Q283-Q285 PolarHBondContact O-N 3.47Å; Q283-G286 PolarHBondContact O-N 2.92Å
284	L	97.9	Very high	97.6	Very high	39 Å²	39	28.5 Å²	28.5	20%	0.204	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-68	-18	169.8	-65.8	173.7	0	0	0	113	L235 V275 S277 R278 A281 F282 G286 R383	L235-L284 HydrophobicContact CD1-CD1 4.14Å; V275-L284 HydrophobicContact CB-CD1 4.11Å; V275-L284 HydrophobicContact CG1-CD1 3.99Å; V275-L284 HydrophobicContact CG2-CD1 4.34Å; V275-L284 HydrophobicContact CG2-CG 4.42Å; S277-L284 WeakPolarHBondContact OG-CD2 3.45Å; R278-L284 HydrophobicContact CG-CD2 4.22Å; A281-L284 VanDerWaalsContact O-CB 3.23Å; A281-L284 WeakPolarHBondContact O-CB 3.42Å; A281-L284 VanDerWaalsContact O-CG 3.23Å; A281-L284 WeakPolarHBondContact O-CG 3.46Å; A281-L284 PolarHBondContact O-N 2.9Å; F282-L284 PolarHBondContact O-N 3.18Å; L284-G286 VanDerWaalsContact C-N 3.27Å; L284-R383 HydrophobicContact CD1-CB 4.27Å; L284-R383 HydrophobicContact CD1-CG 3.91Å
285	Q	97.6	Very high	97.6	Very high	21 Å²	21	28.5 Å²	28.5	10%	0.098	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-79.3	-10.2	176.5	-65.9	-72	-48.1	0	0	113.4	P244 P245 F249 F282 Q283 F289	P244-Q285 PolarHBondContact O-NE2 3.31Å; P245-Q285 PolarHBondContact O-NE2 3.02Å; P245-Q285 PolarHBondContact O-OE1 3.39Å; F249-Q285 HydrophobicContact CB-CG 3.98Å; F249-Q285 HydrophobicContact CD2-CG 3.6Å; F249-Q285 HydrophobicContact CG-CG 4.16Å; F282-Q285 WeakPolarHBondContact O-CB 3.28Å; F282-Q285 PolarHBondContact O-N 3.05Å; Q283-Q285 PolarHBondContact O-N 3.47Å; Q285-F289 HydrophobicContact CB-CB 3.93Å; Q285-F289 HydrophobicContact CB-CD1 3.88Å; Q285-F289 HydrophobicContact CB-CG 3.99Å; Q285-F289 HydrophobicContact CG-CD1 4.25Å
286	G	94.1	Very high	97.6	Very high	29 Å²	29	28.4 Å²	28.4	30%	0.299	16%	0.156	S	C	.	.			trans	125.4	157.7	-176.9	0	0	0	0	0	111.7	Q283 L284 D288 F289	Q283-G286 PolarHBondContact O-N 2.92Å; L284-G286 VanDerWaalsContact C-N 3.27Å; G286-D288 PolarHBondContact O-N 2.97Å; G286-F289 PolarHBondContact O-N 3.09Å
287	D	90.3	Very high	97.6	Very high	109 Å²	109	28.3 Å²	28.3	58%	0.583	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-20.9	-179.1	-67.4	-49.1	0	0	0	112.5	R278	R278-D287 IonicContact CZ-OD1 2.72Å; R278-D287 IonicContact CZ-OD2 3.5Å; R278-D287 IonicContact NH1-OD1 3.27Å; R278-D287 PolarHBondContact NH1-OD1 3.41Å; R278-D287 IonicContact NH1-OD2 3.83Å; R278-D287 IonicContact NH2-OD1 2.69Å; R278-D287 PolarHBondContact NH2-OD1 2.92Å; R278-D287 IonicContact NH2-OD2 2.67Å; R278-D287 PolarHBondContact NH2-OD2 3.34Å
288	D	93.4	Very high	97.5	Very high	148 Å²	148	28.7 Å²	28.7	79%	0.791	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-12.2	176.3	-60.6	-41.4	0	0	0	113.5	G286 V290	G286-D288 PolarHBondContact O-N 2.97Å; D288-V290 PolarHBondContact O-N 2.9Å
289	F	97.6	Very high	97.4	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.013	13%	0.134	C	C	.	.			trans	-83.1	107.7	176.6	179.6	-110.1	0	0	0	110.7	F249 A253 F263 T265 F282 Q285 G286	F249-F289 HydrophobicContact CB-CD1 4.45Å; F249-F289 HydrophobicContact CB-CD2 4.25Å; F249-F289 HydrophobicContact CB-CE1 3.9Å; F249-F289 HydrophobicContact CB-CE2 3.69Å; F249-F289 HydrophobicContact CB-CZ 3.51Å; F249-F289 HydrophobicContact CD2-CE1 4.17Å; F249-F289 HydrophobicContact CD2-CZ 4.41Å; F249-F289 HydrophobicContact CG-CE1 4.45Å; F249-F289 HydrophobicContact CG-CZ 4.26Å; F249-F289 WeakPolarHBondContact O-CE2 3.38Å; A253-F289 HydrophobicContact CB-CE2 3.92Å; F263-F289 AromaticContact CD1-CZ 3.95Å; F263-F289 HydrophobicContact CD1-CZ 3.95Å; F263-F289 AromaticContact CE1-CZ 3.74Å; F263-F289 HydrophobicContact CE1-CZ 3.74Å; F263-F289 HydrophobicContact CE2-CE2 4.5Å; F263-F289 HydrophobicContact CE2-CZ 4.24Å; F263-F289 HydrophobicContact CG-CZ 4.35Å; F263-F289 AromaticContact CZ-CZ 3.86Å; F263-F289 HydrophobicContact CZ-CZ 3.86Å; T265-F289 HydrophobicContact CG2-CE1 4.13Å; T265-F289 HydrophobicContact CG2-CZ 4.38Å; F282-F289 HydrophobicContact CB-CD1 4.21Å; F282-F289 HydrophobicContact CB-CE1 3.94Å; F282-F289 HydrophobicContact CD2-CD1 4.05Å; F282-F289 HydrophobicContact CD2-CE1 4.34Å; Q285-F289 HydrophobicContact CB-CB 3.93Å; Q285-F289 HydrophobicContact CB-CD1 3.88Å; Q285-F289 HydrophobicContact CB-CG 3.99Å; Q285-F289 HydrophobicContact CG-CD1 4.25Å; G286-F289 PolarHBondContact O-N 3.09Å
290	V	98.2	Very high	97.4	Very high	32 Å²	32	23.5 Å²	23.5	19%	0.194	13%	0.129	C	C	.	.			trans	-121.9	118.4	176.6	-176.3	0	0	0	0	109.2	P119 K121 L122 R257 D288	P119-V290 HydrophobicContact CB-CB 4.46Å; P119-V290 HydrophobicContact CB-CG1 3.78Å; P119-V290 HydrophobicContact CB-CG2 3.83Å; P119-V290 HydrophobicContact CG-CG1 4.06Å; P119-V290 HydrophobicContact CG-CG2 3.94Å; K121-V290 HydrophobicContact CB-CG1 4.43Å; L122-V290 HydrophobicContact CD1-CG1 4.29Å; L122-V290 HydrophobicContact CG-CG1 4.42Å; R257-V290 PolarHBondContact NH2-O 3.32Å; D288-V290 PolarHBondContact O-N 2.9Å
291	P	98.6	Very high	97.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.			trans	-72.5	166.7	173.4	31.8	-35.4	0	0	0	111.3	L122 F263 T265 F282 V294	L122-P291 HydrophobicContact CD1-CG 4.17Å; F263-P291 HydrophobicContact CD1-CB 4.05Å; T265-P291 HydrophobicContact CG2-CB 3.66Å; T265-P291 HydrophobicContact CG2-CG 3.9Å; T265-P291 WeakPolarHBondContact OG1-CG 3.39Å; F282-P291 HydrophobicContact CD1-CG 4.34Å; F282-P291 HydrophobicContact CD2-CG 4.36Å; F282-P291 HydrophobicContact CE1-CG 4.35Å; F282-P291 HydrophobicContact CE2-CG 4.38Å; F282-P291 HydrophobicContact CG-CG 4.37Å; F282-P291 HydrophobicContact CZ-CG 4.38Å; P291-V294 HydrophobicContact CB-CG2 4.5Å; P291-V294 HydrophobicContact CG-CG2 3.53Å
292	D	98.9	Very high	97.4	Very high	10 Å²	10	24.5 Å²	24.5	5%	0.053	13%	0.134	C	C	.	.	S	Bend	trans	-89.8	-29.5	177.2	-59.6	-64.8	0	0	0	111.6	K121 R257 V262 F263 T311 T312	K121-D292 IonicContact NZ-OD1 2.83Å; K121-D292 PolarHBondContact NZ-OD1 2.93Å; R257-D292 IonicContact CZ-OD1 2.72Å; R257-D292 IonicContact CZ-OD2 3.89Å; R257-D292 IonicContact NE-OD1 3.52Å; R257-D292 IonicContact NE-OD2 3.77Å; R257-D292 PolarHBondContact NE-OD2 2.67Å; R257-D292 VanDerWaalsContact NH2-CG 3.35Å; R257-D292 IonicContact NH2-OD1 2.87Å; R257-D292 PolarHBondContact NH2-OD1 2.92Å; R257-D292 IonicContact NH2-OD2 3.74Å; R257-D292 PolarHBondContact NH2-OD2 2.99Å; V262-D292 HydrophobicContact CB-CB 3.88Å; V262-D292 HydrophobicContact CG1-CB 4.16Å; F263-D292 PolarHBondContact N-OD2 2.86Å; F263-D292 PolarHBondContact O-N 2.98Å; D292-T311 PolarHBondContact O-OG1 3.28Å; D292-T311 VanDerWaalsContact O-OG1 3.14Å; D292-T312 PolarHBondContact O-N 2.9Å
293	I	98.9	Very high	97.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	134.3	176.5	-50.1	-179.7	0	0	0	109.3	A138 L141 A142 V262 F263 I264 T265 V309 V310 V315	A138-I293 HydrophobicContact CB-CG2 3.82Å; L141-I293 HydrophobicContact CB-CD1 3.9Å; A142-I293 HydrophobicContact CB-CD1 4.34Å; V262-I293 HydrophobicContact CG2-CD1 4.29Å; F263-I293 PolarHBondContact O-N 3.18Å; F263-I293 VanDerWaalsContact O-N 3.11Å; I264-I293 WeakPolarHBondContact CA-O 3.34Å; I264-I293 HydrophobicContact CB-CB 4.49Å; I264-I293 HydrophobicContact CD1-CD1 4.43Å; I264-I293 HydrophobicContact CG1-CB 4.14Å; I264-I293 HydrophobicContact CG1-CD1 4.22Å; I264-I293 HydrophobicContact CG1-CG1 4.48Å; I264-I293 HydrophobicContact CG2-CB 4.25Å; I264-I293 HydrophobicContact CG2-CG2 4.35Å; T265-I293 PolarHBondContact N-O 3.21Å; I293-V309 HydrophobicContact CG2-CG1 3.41Å; I293-V309 VanDerWaalsContact CG2-CG1 3.41Å; I293-V310 CarbonylContact C-O 3.48Å; I293-V310 WeakPolarHBondContact CA-O 3.46Å; I293-V315 HydrophobicContact CD1-CG1 4.2Å; I293-V315 HydrophobicContact CG1-CG1 4.5Å
294	V	98.9	Very high	97.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.6	173.3	-175.8	0	0	0	0	109.1	L118 L122 T265 E267 F282 P291 M296 V309 V310	L118-V294 HydrophobicContact CD2-CG2 4.35Å; L122-V294 HydrophobicContact CD1-CG2 3.58Å; L122-V294 HydrophobicContact CD2-CG2 4.24Å; T265-V294 WeakPolarHBondContact O-CA 3.49Å; E267-V294 HydrophobicContact CB-CG1 4.18Å; E267-V294 HydrophobicContact CG-CG1 3.8Å; F282-V294 HydrophobicContact CE1-CG2 4.11Å; P291-V294 HydrophobicContact CB-CG2 4.5Å; P291-V294 HydrophobicContact CG-CG2 3.53Å; V294-M296 HydrophobicContact CG1-CE 4.13Å; V294-V309 CarbonylContact O-C 3.52Å; V294-V309 WeakPolarHBondContact O-CA 3.38Å; V294-V310 PolarHBondContact N-O 3.03Å; V294-V310 PolarHBondContact O-N 3.21Å
295	T	98.9	Very high	97.2	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.3	171.4	67.8	0	0	0	0	110.6	A134 N135 A138 I264 T265 D266 E267 V309	A134-T295 HydrophobicContact CB-CG2 4.39Å; N135-T295 VanDerWaalsContact OD1-CB 3.26Å; N135-T295 WeakPolarHBondContact OD1-CB 3.43Å; N135-T295 VanDerWaalsContact OD1-CG2 3.23Å; N135-T295 WeakPolarHBondContact OD1-CG2 3.34Å; N135-T295 PolarHBondContact OD1-OG1 3.07Å; A138-T295 HydrophobicContact CB-CG2 3.55Å; I264-T295 HydrophobicContact CG2-CG2 4.32Å; T265-T295 PolarHBondContact O-N 3.13Å; D266-T295 WeakPolarHBondContact CA-OG1 3.42Å; E267-T295 CarbonylContact C-O 3.58Å; E267-T295 WeakPolarHBondContact CA-O 3.28Å; E267-T295 VanDerWaalsContact CB-O 3.31Å; E267-T295 WeakPolarHBondContact CB-O 3.46Å; E267-T295 PolarHBondContact N-O 3.2Å; T295-V309 HydrophobicContact CG2-CG1 4.43Å; T295-V309 HydrophobicContact CG2-CG2 4.26Å
296	M	98.6	Very high	97.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	149.3	-177.9	61.1	-173.7	71.9	0	0	110.4	L114 L118 F272 W280 V294 I300 S307 C308 V310	L114-M296 HydrophobicContact CD1-SD 4.23Å; L114-M296 HydrophobicContact CD2-SD 4.08Å; L118-M296 HydrophobicContact CD1-CE 4.31Å; F272-M296 HydrophobicContact CE2-CB 4.13Å; F272-M296 HydrophobicContact CE2-SD 4.35Å; F272-M296 HydrophobicContact CZ-SD 4.11Å; W280-M296 HydrophobicContact CH2-CB 4.14Å; W280-M296 HydrophobicContact CH2-CE 3.36Å; W280-M296 HydrophobicContact CH2-CG 4.45Å; W280-M296 HydrophobicContact CH2-SD 3.49Å; W280-M296 WeakPolarHBondContact CH2-SD 3.16Å; W280-M296 HydrophobicContact CZ2-CE 3.7Å; W280-M296 HydrophobicContact CZ2-SD 4.14Å; W280-M296 HydrophobicContact CZ3-CB 4.03Å; W280-M296 HydrophobicContact CZ3-CE 3.97Å; W280-M296 HydrophobicContact CZ3-SD 4.3Å; V294-M296 HydrophobicContact CG1-CE 4.13Å; M296-I300 HydrophobicContact CG-CD1 4.17Å; M296-I300 HydrophobicContact SD-CD1 4.32Å; M296-S307 CarbonylContact O-C 3.38Å; M296-S307 VanDerWaalsContact O-CA 3.22Å; M296-S307 WeakPolarHBondContact O-CA 3.46Å; M296-S307 WeakPolarHBondContact O-CB 3.28Å; M296-S307 PolarHBondContact O-OG 3.15Å; M296-C308 HydrophobicContact CG-CB 3.64Å; M296-C308 WeakPolarHBondContact CG-O 3.33Å; M296-C308 PolarHBondContact N-O 2.6Å; M296-C308 PolarHBondContact O-N 3.31Å; M296-C308 HydrophobicContact SD-CB 3.89Å; M296-V310 HydrophobicContact CE-CB 4.49Å; M296-V310 HydrophobicContact CE-CG2 3.64Å
297	G	97.6	Very high	97.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.159	C	C	.	.			trans	-158.8	-145.6	-176.7	0	0	0	0	0	110.9	P299 I300 S307	G297-P299 WeakPolarHBondContact O-CD 3.47Å; G297-I300 VanDerWaalsContact C-CG2 3.45Å; G297-I300 WeakPolarHBondContact O-CB 3.37Å; G297-I300 VanDerWaalsContact O-CG2 3.28Å; G297-I300 WeakPolarHBondContact O-CG2 3.38Å; G297-I300 PolarHBondContact O-N 2.86Å; G297-S307 WeakPolarHBondContact CA-OG 3.07Å
298	K	95.9	Very high	97.8	Very high	67 Å²	67	22.7 Å²	22.7	29%	0.291	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	33.3	-85.5	170	-64.7	178.3	-167.2	-169	0	114.6	V75 V268 Q269 I300	V75-K298 HydrophobicContact CG2-CB 4.07Å; V75-K298 HydrophobicContact CG2-CD 4.01Å; V75-K298 HydrophobicContact CG2-CG 4.03Å; V268-K298 HydrophobicContact CG1-CB 4.38Å; V268-K298 HydrophobicContact CG1-CD 3.86Å; V268-K298 HydrophobicContact CG1-CG 3.85Å; V268-K298 WeakPolarHBondContact O-CB 3.32Å; Q269-K298 VanDerWaalsContact OE1-CD 3.29Å; Q269-K298 VanDerWaalsContact OE1-NZ 3.12Å; K298-I300 PolarHBondContact O-N 3.25Å
299	P	96.9	Very high	98.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-48.1	-36.4	173.2	-32.2	36.7	0	0	0	116.9	H77 V268 F272 G297 G301 N302	H77-P299 HydrophobicContact CB-CB 3.78Å; H77-P299 HydrophobicContact CB-CG 4.31Å; V268-P299 VanDerWaalsContact O-CD 3.28Å; V268-P299 WeakPolarHBondContact O-CD 2.91Å; F272-P299 HydrophobicContact CB-CB 3.96Å; F272-P299 HydrophobicContact CD2-CB 3.64Å; F272-P299 HydrophobicContact CD2-CG 4.38Å; F272-P299 HydrophobicContact CE2-CB 4.37Å; F272-P299 HydrophobicContact CG-CB 3.9Å; G297-P299 WeakPolarHBondContact O-CD 3.47Å; P299-G301 PolarHBondContact O-N 2.73Å; P299-N302 PolarHBondContact O-N 2.92Å
300	I	98.4	Very high	98.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-49.4	-35	-170.7	-168.5	174.6	0	0	0	114.1	Y110 L114 F272 M296 G297 K298 M306 C308	Y110-I300 HydrophobicContact CE1-CD1 4.18Å; Y110-I300 HydrophobicContact CE1-CG1 4.23Å; Y110-I300 WeakPolarHBondContact OH-CG1 3.42Å; Y110-I300 PolarHBondContact OH-O 2.99Å; L114-I300 HydrophobicContact CD1-CD1 4.46Å; F272-I300 HydrophobicContact CE1-CB 4.46Å; F272-I300 HydrophobicContact CE1-CG1 4.39Å; F272-I300 HydrophobicContact CE2-CB 3.92Å; F272-I300 HydrophobicContact CE2-CG1 4.39Å; F272-I300 HydrophobicContact CZ-CB 3.66Å; F272-I300 HydrophobicContact CZ-CD1 4.4Å; F272-I300 HydrophobicContact CZ-CG1 3.68Å; M296-I300 HydrophobicContact CG-CD1 4.17Å; M296-I300 HydrophobicContact SD-CD1 4.32Å; G297-I300 VanDerWaalsContact C-CG2 3.45Å; G297-I300 WeakPolarHBondContact O-CB 3.37Å; G297-I300 VanDerWaalsContact O-CG2 3.28Å; G297-I300 WeakPolarHBondContact O-CG2 3.38Å; G297-I300 PolarHBondContact O-N 2.86Å; K298-I300 PolarHBondContact O-N 3.25Å; I300-M306 HydrophobicContact CD1-CG 4.26Å; I300-M306 HydrophobicContact CD1-SD 4.38Å; I300-M306 HydrophobicContact CG1-SD 4.39Å; I300-M306 HydrophobicContact CG2-CB 4.12Å; I300-M306 HydrophobicContact CG2-CG 4.42Å; I300-M306 WeakPolarHBondContact CG2-O 3.39Å; I300-C308 HydrophobicContact CD1-CB 3.85Å
301	G	98.1	Very high	98.2	Very high	2 Å²	2	14 Å²	14	2%	0.021	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-120	16.3	-179.2	0	0	0	0	0	114	P299 G303 H304 I339	P299-G301 PolarHBondContact O-N 2.73Å; G301-G303 PolarHBondContact O-N 2.59Å; G301-G303 VanDerWaalsContact O-N 3.09Å; G301-H304 VanDerWaalsContact O-CB 3.24Å; G301-H304 WeakPolarHBondContact O-CB 3.3Å; G301-H304 PolarHBondContact O-N 3.19Å; G301-I339 WeakPolarHBondContact O-CG2 3.5Å
302	N	98.6	Very high	98.2	Very high	21 Å²	21	14.1 Å²	14.1	11%	0.112	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	35.7	-172.6	-160.6	42.2	0	0	0	113.2	V75 A76 H77 V78 G79 V85 P299 V343	V75-N302 CarbonylContact O-C 3.6Å; V75-N302 WeakPolarHBondContact O-CA 3.41Å; A76-N302 VanDerWaalsContact CA-OD1 3.28Å; A76-N302 WeakPolarHBondContact CA-OD1 3.24Å; H77-N302 PolarHBondContact N-OD1 2.76Å; V78-N302 HydrophobicContact CG2-CB 4.11Å; V78-N302 VanDerWaalsContact CG2-CG 3.47Å; V78-N302 WeakPolarHBondContact CG2-ND2 3.06Å; V78-N302 PolarHBondContact N-OD1 3.47Å; G79-N302 PolarHBondContact O-ND2 3.46Å; V85-N302 HydrophobicContact CG1-CB 4.34Å; P299-N302 PolarHBondContact O-N 2.92Å; N302-V343 HydrophobicContact CB-CG2 3.75Å
303	G	96	Very high	98.1	Very high	41 Å²	41	20.3 Å²	20.3	42%	0.423	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	97	-10.2	-176.2	0	0	0	0	0	116.8	V75 G301	V75-G303 PolarHBondContact O-N 2.67Å; G301-G303 PolarHBondContact O-N 2.59Å; G301-G303 VanDerWaalsContact O-N 3.09Å
304	H	98.3	Very high	98.1	Very high	64 Å²	64	25.4 Å²	25.4	30%	0.296	13%	0.131	S	C	.	.	S	Bend	trans	-64.2	138.7	165.6	-175.1	75.5	0	0	0	110.7	G301 M306 S336 I339	G301-H304 VanDerWaalsContact O-CB 3.24Å; G301-H304 WeakPolarHBondContact O-CB 3.3Å; G301-H304 PolarHBondContact O-N 3.19Å; H304-M306 PolarHBondContact O-N 2.73Å; H304-S336 PolarHBondContact CD2-OG 2.87Å; H304-S336 PolarHBondContact NE2-OG 2.88Å; H304-I339 HydrophobicContact CB-CD1 3.97Å; H304-I339 HydrophobicContact CB-CG2 3.98Å
305	P	98	Very high	98.1	Very high	83 Å²	83	25.4 Å²	25.4	54%	0.539	13%	0.132	S	C	.	.	S	Bend	trans	-61.8	100.4	177.9	-23.3	34.9	0	0	0	112.1	N129 S336	N129-P305 CarbonylContact O-C 3.54Å; P305-S336 PolarHBondContact O-OG 3.38Å
306	M	96.8	Very high	98.1	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.02	13%	0.134	C	C	.	.			trans	-159	149.1	174.7	-171.9	-178.6	-156.9	0	0	108.4	Y110 F127 V128 N129 I300 H304 C337	Y110-M306 HydrophobicContact CD1-CE 3.62Å; Y110-M306 HydrophobicContact CE1-CE 3.44Å; Y110-M306 VanDerWaalsContact CE1-CE 3.44Å; Y110-M306 HydrophobicContact CE1-SD 3.85Å; F127-M306 HydrophobicContact CD1-CE 3.63Å; F127-M306 HydrophobicContact CE1-CE 3.84Å; F127-M306 HydrophobicContact CG-CE 4.39Å; V128-M306 CarbonylContact O-C 3.5Å; N129-M306 PolarHBondContact O-N 3.49Å; I300-M306 HydrophobicContact CD1-CG 4.26Å; I300-M306 HydrophobicContact CD1-SD 4.38Å; I300-M306 HydrophobicContact CG1-SD 4.39Å; I300-M306 HydrophobicContact CG2-CB 4.12Å; I300-M306 HydrophobicContact CG2-CG 4.42Å; I300-M306 WeakPolarHBondContact CG2-O 3.39Å; H304-M306 PolarHBondContact O-N 2.73Å; M306-C337 HydrophobicContact CE-CB 4.5Å
307	S	98.6	Very high	98	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	165.4	173.9	-70.2	0	0	0	0	109.1	V128 S130 G131 M296 G297	V128-S307 PolarHBondContact N-O 2.83Å; V128-S307 PolarHBondContact O-N 3.29Å; V128-S307 VanDerWaalsContact O-O 3.05Å; S130-S307 WeakPolarHBondContact CA-OG 3.4Å; S130-S307 VanDerWaalsContact O-CB 3.25Å; S130-S307 WeakPolarHBondContact O-CB 3.49Å; S130-S307 PolarHBondContact O-OG 3.05Å; G131-S307 PolarHBondContact N-OG 2.87Å; M296-S307 CarbonylContact O-C 3.38Å; M296-S307 VanDerWaalsContact O-CA 3.22Å; M296-S307 WeakPolarHBondContact O-CA 3.46Å; M296-S307 WeakPolarHBondContact O-CB 3.28Å; M296-S307 PolarHBondContact O-OG 3.15Å; G297-S307 WeakPolarHBondContact CA-OG 3.07Å
308	C	98.7	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	148.9	-178.8	-173.1	0	0	0	0	110.5	L114 Y126 F127 M296 I300	L114-C308 HydrophobicContact CD1-CB 4.5Å; Y126-C308 CarbonylContact O-C 3.51Å; Y126-C308 VanDerWaalsContact O-CA 3.25Å; Y126-C308 WeakPolarHBondContact O-CA 3.41Å; Y126-C308 PolarHBondContact O-SG 2.74Å; F127-C308 HydrophobicContact CD1-CB 3.84Å; F127-C308 HydrophobicContact CE1-CB 3.97Å; M296-C308 HydrophobicContact CG-CB 3.64Å; M296-C308 WeakPolarHBondContact CG-O 3.33Å; M296-C308 PolarHBondContact N-O 2.6Å; M296-C308 PolarHBondContact O-N 3.31Å; M296-C308 HydrophobicContact SD-CB 3.89Å; I300-C308 HydrophobicContact CD1-CB 3.85Å
309	V	98.9	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.2	163.6	-174.3	0	0	0	0	107	C125 Y126 A134 L137 A138 L141 I293 V294 T295	C125-V309 CarbonylContact C-O 3.5Å; C125-V309 WeakPolarHBondContact CA-O 3.34Å; Y126-V309 PolarHBondContact N-O 2.97Å; Y126-V309 PolarHBondContact O-N 2.91Å; A134-V309 HydrophobicContact CB-CG2 3.77Å; A134-V309 WeakPolarHBondContact O-CG2 3.31Å; L137-V309 HydrophobicContact CB-CG2 4.12Å; L137-V309 HydrophobicContact CD2-CB 4.38Å; L137-V309 HydrophobicContact CD2-CG2 4.01Å; L137-V309 HydrophobicContact CG-CG2 4.25Å; A138-V309 HydrophobicContact CB-CG1 4.39Å; L141-V309 HydrophobicContact CD1-CG1 3.76Å; I293-V309 HydrophobicContact CG2-CG1 3.41Å; I293-V309 VanDerWaalsContact CG2-CG1 3.41Å; V294-V309 CarbonylContact O-C 3.52Å; V294-V309 WeakPolarHBondContact O-CA 3.38Å; T295-V309 HydrophobicContact CG2-CG1 4.43Å; T295-V309 HydrophobicContact CG2-CG2 4.26Å
310	V	98.9	Very high	98	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.2	171.4	-169.7	0	0	0	0	108.5	L118 L122 V124 I293 V294 M296	L118-V310 HydrophobicContact CD1-CB 3.77Å; L118-V310 HydrophobicContact CD1-CG1 3.65Å; L118-V310 HydrophobicContact CD1-CG2 3.77Å; L122-V310 HydrophobicContact CB-CG1 3.95Å; V124-V310 CarbonylContact O-C 3.54Å; V124-V310 VanDerWaalsContact O-CA 3.31Å; V124-V310 WeakPolarHBondContact O-CA 3.28Å; I293-V310 CarbonylContact C-O 3.48Å; I293-V310 WeakPolarHBondContact CA-O 3.46Å; V294-V310 PolarHBondContact N-O 3.03Å; V294-V310 PolarHBondContact O-N 3.21Å; M296-V310 HydrophobicContact CE-CB 4.49Å; M296-V310 HydrophobicContact CE-CG2 3.64Å
311	T	98.9	Very high	97.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	175	-177.5	-171.5	0	0	0	0	111	S123 V124 Y126 L141 D292 V315 A316	S123-T311 PolarHBondContact N-O 3.37Å; V124-T311 HydrophobicContact CB-CG2 4.35Å; V124-T311 PolarHBondContact N-O 3.04Å; V124-T311 PolarHBondContact O-N 2.85Å; Y126-T311 HydrophobicContact CD2-CG2 4.38Å; Y126-T311 HydrophobicContact CE2-CG2 3.91Å; L141-T311 HydrophobicContact CD1-CG2 4.27Å; D292-T311 PolarHBondContact O-OG1 3.28Å; D292-T311 VanDerWaalsContact O-OG1 3.14Å; T311-V315 HydrophobicContact CG2-CB 4.46Å; T311-V315 HydrophobicContact CG2-CG1 4.31Å; T311-V315 VanDerWaalsContact OG1-CB 3.27Å; T311-V315 WeakPolarHBondContact OG1-CB 3.45Å; T311-V315 VanDerWaalsContact OG1-CG1 3.25Å; T311-V315 WeakPolarHBondContact OG1-CG1 3.46Å; T311-A316 HydrophobicContact CG2-CB 4.13Å
312	T	98.8	Very high	97.5	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	156.5	173	73.7	0	0	0	0	111.7	K121 D292 E314 V315 A316	K121-T312 HydrophobicContact CD-CG2 3.78Å; K121-T312 HydrophobicContact CG-CG2 3.8Å; K121-T312 WeakPolarHBondContact O-CA 3.31Å; D292-T312 PolarHBondContact O-N 2.9Å; T312-E314 VanDerWaalsContact C-N 3.26Å; T312-E314 PolarHBondContact O-N 3.35Å; T312-V315 PolarHBondContact O-N 2.8Å; T312-V315 WeakPolarHBondContact OG1-CG2 3.33Å; T312-V315 PolarHBondContact OG1-N 3.14Å; T312-A316 PolarHBondContact O-N 3.03Å; T312-A316 VanDerWaalsContact O-N 3.14Å
313	R	98.4	Very high	96.9	Very high	140 Å²	140	44 Å²	44	53%	0.528	26%	0.26	S	S	.	.	H	α-helix	trans	-56.6	-42.2	174.5	-176.9	58.4	56.7	135	1.3	112.2	V124 A316 E317	V124-R313 HydrophobicContact CG2-CB 4.45Å; R313-A316 PolarHBondContact O-N 3.45Å; R313-E317 VanDerWaalsContact CD-OE1 3.23Å; R313-E317 WeakPolarHBondContact CD-OE1 3.25Å; R313-E317 HydrophobicContact CG-CG 4.28Å; R313-E317 VanDerWaalsContact CG-OE1 3.26Å; R313-E317 WeakPolarHBondContact CG-OE1 3.48Å; R313-E317 WeakPolarHBondContact O-CB 3.34Å; R313-E317 WeakPolarHBondContact O-CG 3.36Å; R313-E317 PolarHBondContact O-N 2.85Å
314	E	98.3	Very high	96.3	Very high	106 Å²	106	47.1 Å²	47.1	50%	0.495	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-47.2	-178.5	-166.1	-174.3	-176.7	0	0	112.3	Y145 T312 A316 E317 A318	Y145-E314 HydrophobicContact CE2-CG 3.77Å; Y145-E314 PolarHBondContact OH-OE1 2.98Å; Y145-E314 VanDerWaalsContact OH-OE1 3.06Å; Y145-E314 PolarHBondContact OH-OE2 2.63Å; T312-E314 VanDerWaalsContact C-N 3.26Å; T312-E314 PolarHBondContact O-N 3.35Å; E314-A316 PolarHBondContact O-N 3.32Å; E314-E317 PolarHBondContact O-N 3.08Å; E314-A318 PolarHBondContact O-N 3.36Å
315	V	98.5	Very high	95.7	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-63.9	-41.5	176.7	171.5	0	0	0	0	111.2	L141 Y145 I293 T311 T312 F319	L141-V315 HydrophobicContact CB-CG1 3.92Å; L141-V315 HydrophobicContact CD2-CG1 4.31Å; Y145-V315 HydrophobicContact CD1-CG2 3.87Å; Y145-V315 HydrophobicContact CD2-CB 4.43Å; Y145-V315 HydrophobicContact CD2-CG2 4.04Å; Y145-V315 HydrophobicContact CE1-CG2 4.1Å; Y145-V315 HydrophobicContact CE2-CG2 4.3Å; Y145-V315 HydrophobicContact CG-CB 4.37Å; Y145-V315 HydrophobicContact CG-CG2 3.82Å; I293-V315 HydrophobicContact CD1-CG1 4.2Å; I293-V315 HydrophobicContact CG1-CG1 4.5Å; T311-V315 HydrophobicContact CG2-CB 4.46Å; T311-V315 HydrophobicContact CG2-CG1 4.31Å; T311-V315 VanDerWaalsContact OG1-CB 3.27Å; T311-V315 WeakPolarHBondContact OG1-CB 3.45Å; T311-V315 VanDerWaalsContact OG1-CG1 3.25Å; T311-V315 WeakPolarHBondContact OG1-CG1 3.46Å; T312-V315 PolarHBondContact O-N 2.8Å; T312-V315 WeakPolarHBondContact OG1-CG2 3.33Å; T312-V315 PolarHBondContact OG1-N 3.14Å; V315-F319 PolarHBondContact O-N 3.41Å; V315-F319 VanDerWaalsContact O-N 3.14Å
316	A	98.3	Very high	95.4	Very high	6 Å²	6	50.2 Å²	50.2	5%	0.05	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-40.1	177.8	0	0	0	0	0	112.7	V124 Y126 T311 T312 R313 E314 F319 M320	V124-A316 HydrophobicContact CB-CB 3.97Å; V124-A316 HydrophobicContact CG1-CB 3.71Å; V124-A316 HydrophobicContact CG2-CB 4Å; Y126-A316 HydrophobicContact CE2-CB 4.2Å; Y126-A316 WeakPolarHBondContact OH-CB 3.47Å; T311-A316 HydrophobicContact CG2-CB 4.13Å; T312-A316 PolarHBondContact O-N 3.03Å; T312-A316 VanDerWaalsContact O-N 3.14Å; R313-A316 PolarHBondContact O-N 3.45Å; E314-A316 PolarHBondContact O-N 3.32Å; A316-F319 WeakPolarHBondContact O-CB 2.84Å; A316-F319 PolarHBondContact O-N 2.97Å; A316-M320 PolarHBondContact O-N 3.4Å
317	E	97.6	Very high	95	Very high	97 Å²	97	53.8 Å²	53.8	45%	0.453	29%	0.285	S	S	.	.	H	α-helix	trans	-67.2	-43.1	177.7	-76.5	172.6	178	0	0	111.5	R313 E314 F319 M320 S321	R313-E317 VanDerWaalsContact CD-OE1 3.23Å; R313-E317 WeakPolarHBondContact CD-OE1 3.25Å; R313-E317 HydrophobicContact CG-CG 4.28Å; R313-E317 VanDerWaalsContact CG-OE1 3.26Å; R313-E317 WeakPolarHBondContact CG-OE1 3.48Å; R313-E317 WeakPolarHBondContact O-CB 3.34Å; R313-E317 WeakPolarHBondContact O-CG 3.36Å; R313-E317 PolarHBondContact O-N 2.85Å; E314-E317 PolarHBondContact O-N 3.08Å; E317-F319 PolarHBondContact O-N 3.04Å; E317-M320 WeakPolarHBondContact O-CB 3.47Å; E317-M320 PolarHBondContact O-N 3.37Å; E317-M320 VanDerWaalsContact O-N 3.17Å; E317-S321 WeakPolarHBondContact O-CB 3.32Å; E317-S321 PolarHBondContact O-N 3.43Å; E317-S321 PolarHBondContact O-OG 3.04Å; E317-S321 VanDerWaalsContact O-OG 3.09Å
318	A	97.4	Very high	94.4	Very high	25 Å²	25	54.9 Å²	54.9	21%	0.207	29%	0.29	C	S	.	.	H	α-helix	trans	-59.9	-35.5	173.8	0	0	0	0	0	112.5	Y145 E314 S321 S322	Y145-A318 HydrophobicContact CD2-CB 3.68Å; Y145-A318 HydrophobicContact CG-CB 4.49Å; E314-A318 PolarHBondContact O-N 3.36Å; A318-S321 PolarHBondContact O-N 2.87Å; A318-S322 PolarHBondContact O-N 3.21Å
319	F	97.3	Very high	94	Very high	9 Å²	9	58 Å²	58	4%	0.039	31%	0.31	C	S	.	.	H	α-helix	trans	-67.5	-44.1	174.7	-168.7	-119.2	0	0	0	112.9	Y126 L137 R140 L141 Q144 V315 A316 E317 S321 S322 Y326	Y126-F319 HydrophobicContact CE1-CD1 4.41Å; L137-F319 HydrophobicContact CD1-CE1 4.11Å; L137-F319 HydrophobicContact CD1-CZ 3.77Å; R140-F319 HydrophobicContact CB-CE2 4.1Å; R140-F319 HydrophobicContact CB-CZ 4.47Å; L141-F319 HydrophobicContact CD2-CB 3.62Å; L141-F319 HydrophobicContact CD2-CD1 3.74Å; L141-F319 HydrophobicContact CD2-CD2 3.91Å; L141-F319 HydrophobicContact CD2-CE1 4.19Å; L141-F319 HydrophobicContact CD2-CE2 4.38Å; L141-F319 HydrophobicContact CD2-CG 3.52Å; L141-F319 HydrophobicContact CD2-CZ 4.43Å; Q144-F319 HydrophobicContact CB-CD2 3.85Å; Q144-F319 HydrophobicContact CG-CD2 3.92Å; V315-F319 PolarHBondContact O-N 3.41Å; V315-F319 VanDerWaalsContact O-N 3.14Å; A316-F319 WeakPolarHBondContact O-CB 2.84Å; A316-F319 PolarHBondContact O-N 2.97Å; E317-F319 PolarHBondContact O-N 3.04Å; F319-S321 VanDerWaalsContact C-N 3.31Å; F319-S321 PolarHBondContact O-N 2.61Å; F319-S322 VanDerWaalsContact O-CB 3.22Å; F319-S322 WeakPolarHBondContact O-CB 3.24Å; F319-S322 PolarHBondContact O-N 3.48Å; F319-S322 PolarHBondContact O-OG 3.26Å; F319-Y326 HydrophobicContact CE1-CD2 4.4Å; F319-Y326 HydrophobicContact CE1-CG 4.18Å; F319-Y326 HydrophobicContact CZ-CD2 4.5Å
320	M	95.7	Very high	93.7	Very high	133 Å²	133	64 Å²	64	66%	0.655	34%	0.336	S	S	*	.	H	α-helix	trans	-59.9	-41.7	172.9	-179.6	-170.4	69.7	0	0	111.5	A316 E317 S322 G323	A316-M320 PolarHBondContact O-N 3.4Å; E317-M320 WeakPolarHBondContact O-CB 3.47Å; E317-M320 PolarHBondContact O-N 3.37Å; E317-M320 VanDerWaalsContact O-N 3.17Å; M320-S322 PolarHBondContact O-N 2.95Å; M320-S322 VanDerWaalsContact O-N 3.1Å; M320-G323 PolarHBondContact O-N 3.06Å
321	S	94.8	Very high	93.4	Very high	94 Å²	94	64.1 Å²	64.1	66%	0.657	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-12.4	178.5	-64.9	0	0	0	0	114.2	E317 A318 F319 G323	E317-S321 WeakPolarHBondContact O-CB 3.32Å; E317-S321 PolarHBondContact O-N 3.43Å; E317-S321 PolarHBondContact O-OG 3.04Å; E317-S321 VanDerWaalsContact O-OG 3.09Å; A318-S321 PolarHBondContact O-N 2.87Å; F319-S321 VanDerWaalsContact C-N 3.31Å; F319-S321 PolarHBondContact O-N 2.61Å; S321-G323 PolarHBondContact O-N 3.46Å
322	S	91.3	Very high	93.1	Very high	46 Å²	46	64.2 Å²	64.2	32%	0.322	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.4	169.3	74.9	0	0	0	0	113.4	Q144 A318 F319 M320 M324	Q144-S322 VanDerWaalsContact CD-CB 3.46Å; Q144-S322 VanDerWaalsContact NE2-CB 3.26Å; A318-S322 PolarHBondContact O-N 3.21Å; F319-S322 VanDerWaalsContact O-CB 3.22Å; F319-S322 WeakPolarHBondContact O-CB 3.24Å; F319-S322 PolarHBondContact O-N 3.48Å; F319-S322 PolarHBondContact O-OG 3.26Å; M320-S322 PolarHBondContact O-N 2.95Å; M320-S322 VanDerWaalsContact O-N 3.1Å; S322-M324 PolarHBondContact O-N 3.42Å; S322-M324 WeakPolarHBondContact OG-CB 3.44Å; S322-M324 PolarHBondContact OG-N 3.1Å; S322-M324 VanDerWaalsContact OG-N 3.14Å
323	G	86.6	Confident	93	Very high	71 Å²	71	64.5 Å²	64.5	73%	0.732	34%	0.339	S	S	*	.			trans	77.7	-3.6	-173.1	0	0	0	0	0	114.1	M320 S321 E325	M320-G323 PolarHBondContact O-N 3.06Å; S321-G323 PolarHBondContact O-N 3.46Å; G323-E325 PolarHBondContact O-N 3.15Å
324	M	82.8	Confident	93	Very high	106 Å²	106	58 Å²	58	52%	0.522	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-79.9	116.4	176	-175.2	-178.3	-65.9	0	0	110.4	R140 S322 Y326	R140-M324 PolarHBondContact NH1-SD 3.32Å; R140-M324 PolarHBondContact NH2-SD 2.89Å; S322-M324 PolarHBondContact O-N 3.42Å; S322-M324 WeakPolarHBondContact OG-CB 3.44Å; S322-M324 PolarHBondContact OG-N 3.1Å; S322-M324 VanDerWaalsContact OG-N 3.14Å; M324-Y326 PolarHBondContact O-N 3.06Å
325	E	86.4	Confident	93	Very high	141 Å²	141	53 Å²	53	66%	0.659	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-63.8	124	165.3	-170.8	-167.7	172.6	0	0	109.2	R101 G323	R101-E325 IonicContact CZ-OE1 3.13Å; R101-E325 IonicContact NE-OE1 2.74Å; R101-E325 IonicContact NH2-OE1 2.7Å; R101-E325 PolarHBondContact NH2-OE1 2.92Å; R101-E325 IonicContact NH2-OE2 3.54Å; G323-E325 PolarHBondContact O-N 3.15Å
326	Y	90.5	Very high	93	Very high	70 Å²	70	53 Å²	53	28%	0.275	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-93.5	121.6	170.7	-177.1	-106	0	0	0	110.4	Y126 V128 L137 F319 M324 N328	Y126-Y326 AromaticContact CD1-CD1 3.97Å; Y126-Y326 HydrophobicContact CD1-CD1 3.97Å; Y126-Y326 HydrophobicContact CD1-CE1 4.32Å; V128-Y326 WeakPolarHBondContact CG1-OH 3.35Å; L137-Y326 HydrophobicContact CD1-CD2 4.2Å; L137-Y326 HydrophobicContact CD1-CE1 4.49Å; L137-Y326 HydrophobicContact CD1-CE2 3.82Å; L137-Y326 HydrophobicContact CD2-CE1 3.9Å; L137-Y326 HydrophobicContact CD2-CE2 4.45Å; F319-Y326 HydrophobicContact CE1-CD2 4.4Å; F319-Y326 HydrophobicContact CE1-CG 4.18Å; F319-Y326 HydrophobicContact CZ-CD2 4.5Å; M324-Y326 PolarHBondContact O-N 3.06Å; Y326-N328 HydrophobicContact CE1-CB 4.46Å
327	F	89	Confident	93	Very high	79 Å²	79	52.8 Å²	52.8	35%	0.346	29%	0.29	S	S	.	.			trans	-133.9	135.7	176.5	176.4	-110.8	0	0	0	110.8	N99 R101	N99-F327 HydrophobicContact CB-CE2 4.14Å; N99-F327 HydrophobicContact CB-CZ 4.05Å; R101-F327 HydrophobicContact CG-CD2 4.11Å; R101-F327 HydrophobicContact CG-CE2 3.75Å; R101-F327 VanDerWaalsContact NE-CE2 3.31Å
328	N	86.1	Confident	93.1	Very high	24 Å²	24	48.7 Å²	48.7	13%	0.128	27%	0.273	C	S	.	.			trans	-128.8	118.7	171.7	-173.7	-33.7	0	0	0	108.3	V128 N129 E133 Y326 F330 G331	V128-N328 WeakPolarHBondContact CA-ND2 3.24Å; N129-N328 PolarHBondContact ND2-ND2 3.22Å; N129-N328 PolarHBondContact ND2-OD1 2.93Å; E133-N328 PolarHBondContact OE2-ND2 3.39Å; Y326-N328 HydrophobicContact CE1-CB 4.46Å; N328-F330 PolarHBondContact O-N 3.32Å; N328-F330 PolarHBondContact OD1-N 3.4Å; N328-G331 PolarHBondContact OD1-N 3.07Å
329	T	90.1	Very high	93.2	Very high	67 Å²	67	48.1 Å²	48.1	41%	0.411	27%	0.267	S	S	.	.	S	Bend	trans	-55	-38.1	-174.6	-54.5	0	0	0	0	113.3	N99	N99-T329 WeakPolarHBondContact CA-O 3.27Å; N99-T329 WeakPolarHBondContact CB-O 3.39Å
330	F	93.1	Very high	93.2	Very high	125 Å²	125	47.7 Å²	47.7	55%	0.548	27%	0.265	S	S	.	.	S	Bend	trans	-116	-12.3	-173	-56.8	-60.1	0	0	0	113.1	N129 N328 G332 N333	N129-F330 WeakPolarHBondContact OD1-CB 3.34Å; N129-F330 PolarHBondContact OD1-O 3.13Å; N328-F330 PolarHBondContact O-N 3.32Å; N328-F330 PolarHBondContact OD1-N 3.4Å; F330-G332 PolarHBondContact O-N 3.42Å; F330-N333 PolarHBondContact O-N 3.16Å; F330-N333 PolarHBondContact O-ND2 3.4Å
331	G	91.8	Very high	93.4	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.031	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	116	177.2	0	0	0	0	0	111.7	T100 F127 N129 N328 N333	T100-G331 WeakPolarHBondContact CG2-O 3.3Å; F127-G331 WeakPolarHBondContact O-CA 3.34Å; N129-G331 PolarHBondContact OD1-N 2.92Å; N328-G331 PolarHBondContact OD1-N 3.07Å; G331-N333 VanDerWaalsContact C-N 3.34Å; G331-N333 PolarHBondContact O-N 2.93Å
332	G	92.6	Very high	93.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.01	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	16.1	176.9	0	0	0	0	0	114.7	T100 F127 F330 C337	T100-G332 WeakPolarHBondContact CG2-O 3.4Å; F127-G332 VanDerWaalsContact CB-CA 3.43Å; F127-G332 VanDerWaalsContact CB-N 3.27Å; F330-G332 PolarHBondContact O-N 3.42Å; G332-C337 PolarHBondContact O-SG 3.46Å
333	N	97	Very high	94	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.053	20%	0.197	C	C	.	.			trans	-54	155.6	178.8	73.4	78	0	0	0	112.2	N97 T98 F330 G331 V335 S336 C337	N97-N333 PolarHBondContact OD1-OD1 3.48Å; T98-N333 VanDerWaalsContact O-CB 3.27Å; T98-N333 WeakPolarHBondContact O-CB 3.46Å; F330-N333 PolarHBondContact O-N 3.16Å; F330-N333 PolarHBondContact O-ND2 3.4Å; G331-N333 VanDerWaalsContact C-N 3.34Å; G331-N333 PolarHBondContact O-N 2.93Å; N333-V335 VanDerWaalsContact C-N 3.27Å; N333-V335 PolarHBondContact O-N 2.93Å; N333-V335 VanDerWaalsContact O-N 3.15Å; N333-V335 WeakPolarHBondContact OD1-CB 3.12Å; N333-V335 PolarHBondContact OD1-N 3.43Å; N333-V335 VanDerWaalsContact OD1-N 3.12Å; N333-S336 WeakPolarHBondContact ND2-CB 3.43Å; N333-S336 PolarHBondContact ND2-OG 2.97Å; N333-S336 PolarHBondContact O-N 3.02Å; N333-S336 VanDerWaalsContact O-N 3.11Å; N333-S336 PolarHBondContact OD1-N 3.33Å; N333-C337 PolarHBondContact O-N 3.22Å
334	P	98.3	Very high	94.5	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.032	16%	0.164	C	C	.	.	H	α-helix	trans	-52.5	-40.4	-174.5	-31.3	37.4	0	0	0	114.8	Q92 L96 T98 H104 N106 C337 A338	Q92-P334 HydrophobicContact CG-CB 4.07Å; Q92-P334 WeakPolarHBondContact CG-O 3.21Å; L96-P334 HydrophobicContact CD2-CG 4.28Å; L96-P334 HydrophobicContact CG-CG 4.49Å; T98-P334 WeakPolarHBondContact O-CD 3.12Å; H104-P334 HydrophobicContact CB-CG 4.36Å; N106-P334 PolarHBondContact ND2-O 2.72Å; P334-C337 PolarHBondContact O-N 2.96Å; P334-A338 PolarHBondContact O-N 3.02Å
335	V	98.6	Very high	95.3	Very high	1 Å²	1	32 Å²	32	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-67.3	-48.1	179.9	176.4	0	0	0	0	110.7	Q92 M93 N97 N333 C337 A338 I339	Q92-V335 HydrophobicContact CB-CG2 4.35Å; Q92-V335 HydrophobicContact CG-CB 4.4Å; Q92-V335 HydrophobicContact CG-CG2 3.92Å; M93-V335 HydrophobicContact CB-CG2 4.28Å; M93-V335 HydrophobicContact CG-CB 4.17Å; M93-V335 HydrophobicContact CG-CG1 3.53Å; M93-V335 HydrophobicContact CG-CG2 3.49Å; M93-V335 VanDerWaalsContact CG-CG2 3.49Å; M93-V335 HydrophobicContact SD-CG1 4.13Å; N97-V335 HydrophobicContact CB-CG2 3.73Å; N333-V335 VanDerWaalsContact C-N 3.27Å; N333-V335 PolarHBondContact O-N 2.93Å; N333-V335 VanDerWaalsContact O-N 3.15Å; N333-V335 WeakPolarHBondContact OD1-CB 3.12Å; N333-V335 PolarHBondContact OD1-N 3.43Å; N333-V335 VanDerWaalsContact OD1-N 3.12Å; V335-C337 VanDerWaalsContact C-N 3.29Å; V335-C337 PolarHBondContact O-N 3.38Å; V335-A338 PolarHBondContact O-N 3.07Å; V335-I339 HydrophobicContact CG1-CD1 3.92Å; V335-I339 WeakPolarHBondContact O-CG1 3.45Å; V335-I339 PolarHBondContact O-N 2.88Å
336	S	98.5	Very high	95.9	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	13%	0.128	C	C	.	.	H	α-helix	trans	-57.7	-43.3	176	-70.9	0	0	0	0	111.4	H304 P305 N333 I339 G340	H304-S336 PolarHBondContact CD2-OG 2.87Å; H304-S336 PolarHBondContact NE2-OG 2.88Å; P305-S336 PolarHBondContact O-OG 3.38Å; N333-S336 WeakPolarHBondContact ND2-CB 3.43Å; N333-S336 PolarHBondContact ND2-OG 2.97Å; N333-S336 PolarHBondContact O-N 3.02Å; N333-S336 VanDerWaalsContact O-N 3.11Å; N333-S336 PolarHBondContact OD1-N 3.33Å; S336-I339 PolarHBondContact O-N 2.67Å; S336-G340 PolarHBondContact O-N 3.19Å
337	C	98.6	Very high	96.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-67.6	-37.2	177.7	-65.4	0	0	0	0	113	N106 Y110 M306 G332 N333 P334 V335 G340 L341	N106-C337 HydrophobicContact CB-CB 3.66Å; Y110-C337 HydrophobicContact CD1-CB 4.49Å; M306-C337 HydrophobicContact CE-CB 4.5Å; G332-C337 PolarHBondContact O-SG 3.46Å; N333-C337 PolarHBondContact O-N 3.22Å; P334-C337 PolarHBondContact O-N 2.96Å; V335-C337 VanDerWaalsContact C-N 3.29Å; V335-C337 PolarHBondContact O-N 3.38Å; C337-G340 PolarHBondContact O-N 3.38Å; C337-L341 WeakPolarHBondContact O-CB 3.45Å; C337-L341 WeakPolarHBondContact O-CG 3.17Å; C337-L341 PolarHBondContact O-N 3.24Å
338	A	98.9	Very high	96.8	Very high	11 Å²	11	25.4 Å²	25.4	9%	0.091	13%	0.132	C	C	.	.	H	α-helix	trans	-62.3	-43.9	173.6	0	0	0	0	0	111.9	Q92 P334 V335 L341 A342	Q92-A338 HydrophobicContact CB-CB 3.72Å; Q92-A338 HydrophobicContact CG-CB 3.94Å; P334-A338 PolarHBondContact O-N 3.02Å; V335-A338 PolarHBondContact O-N 3.07Å; A338-L341 PolarHBondContact O-N 3.06Å; A338-A342 PolarHBondContact O-N 2.87Å
339	I	98.9	Very high	97.4	Very high	14 Å²	14	31.3 Å²	31.3	7%	0.072	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-47.5	174.2	-71.5	169.6	0	0	0	110.3	V85 G301 H304 V335 S336 L341 A342 V343	V85-I339 HydrophobicContact CG1-CG2 3.83Å; G301-I339 WeakPolarHBondContact O-CG2 3.5Å; H304-I339 HydrophobicContact CB-CD1 3.97Å; H304-I339 HydrophobicContact CB-CG2 3.98Å; V335-I339 HydrophobicContact CG1-CD1 3.92Å; V335-I339 WeakPolarHBondContact O-CG1 3.45Å; V335-I339 PolarHBondContact O-N 2.88Å; S336-I339 PolarHBondContact O-N 2.67Å; I339-L341 PolarHBondContact O-N 3.01Å; I339-A342 PolarHBondContact O-N 2.9Å; I339-V343 WeakPolarHBondContact O-CG2 3.33Å; I339-V343 PolarHBondContact O-N 2.97Å
340	G	98.8	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-41.9	179.4	0	0	0	0	0	113.2	Y110 S336 C337 V343 L344	Y110-G340 VanDerWaalsContact CE2-O 3.3Å; Y110-G340 WeakPolarHBondContact CE2-O 3.26Å; S336-G340 PolarHBondContact O-N 3.19Å; C337-G340 PolarHBondContact O-N 3.38Å; G340-V343 WeakPolarHBondContact O-CB 3.18Å; G340-V343 PolarHBondContact O-N 2.67Å; G340-L344 PolarHBondContact O-N 3.49Å
341	L	98.9	Very high	98.1	Very high	26 Å²	26	29.3 Å²	29.3	14%	0.136	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-48.3	173.8	-76.2	164.5	0	0	0	111.2	N106 L109 Y110 R113 C337 A338 I339 V343 L344 D345	N106-L341 HydrophobicContact CB-CD1 4.26Å; L109-L341 HydrophobicContact CB-CD1 4.45Å; Y110-L341 HydrophobicContact CD2-CD2 3.98Å; Y110-L341 HydrophobicContact CD2-CG 3.86Å; Y110-L341 HydrophobicContact CG-CG 4.35Å; R113-L341 HydrophobicContact CG-CD2 4.12Å; C337-L341 WeakPolarHBondContact O-CB 3.45Å; C337-L341 WeakPolarHBondContact O-CG 3.17Å; C337-L341 PolarHBondContact O-N 3.24Å; A338-L341 PolarHBondContact O-N 3.06Å; I339-L341 PolarHBondContact O-N 3.01Å; L341-V343 VanDerWaalsContact C-N 3.28Å; L341-V343 PolarHBondContact O-N 2.81Å; L341-L344 PolarHBondContact O-N 3.26Å; L341-L344 VanDerWaalsContact O-N 3.13Å; L341-D345 VanDerWaalsContact O-CG 3.32Å; L341-D345 PolarHBondContact O-N 2.92Å
342	A	98.9	Very high	98.4	Very high	9 Å²	9	29.3 Å²	29.3	7%	0.074	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-35.9	177.3	0	0	0	0	0	112.5	V85 A88 A338 I339 D345 V346	V85-A342 HydrophobicContact CG2-CB 4.32Å; A88-A342 HydrophobicContact CB-CB 3.62Å; A338-A342 PolarHBondContact O-N 2.87Å; I339-A342 PolarHBondContact O-N 2.9Å; A342-D345 PolarHBondContact O-N 3.31Å; A342-V346 WeakPolarHBondContact O-CB 3.31Å; A342-V346 WeakPolarHBondContact O-CG2 3.42Å; A342-V346 PolarHBondContact O-N 2.8Å
343	V	98.9	Very high	98.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.2	-46.2	173.5	167.1	0	0	0	0	111.5	V78 V85 N302 I339 G340 L341 D345 V346 I347	V78-V343 HydrophobicContact CG1-CG1 4.07Å; V85-V343 HydrophobicContact CG1-CG2 4.31Å; V85-V343 HydrophobicContact CG2-CG2 3.94Å; N302-V343 HydrophobicContact CB-CG2 3.75Å; I339-V343 WeakPolarHBondContact O-CG2 3.33Å; I339-V343 PolarHBondContact O-N 2.97Å; G340-V343 WeakPolarHBondContact O-CB 3.18Å; G340-V343 PolarHBondContact O-N 2.67Å; L341-V343 VanDerWaalsContact C-N 3.28Å; L341-V343 PolarHBondContact O-N 2.81Å; V343-D345 VanDerWaalsContact C-N 3.34Å; V343-V346 PolarHBondContact O-N 2.85Å; V343-I347 HydrophobicContact CG1-CD1 3.85Å; V343-I347 VanDerWaalsContact O-CG1 3.28Å; V343-I347 WeakPolarHBondContact O-CG1 3.41Å; V343-I347 PolarHBondContact O-N 2.86Å
344	L	98.9	Very high	98.8	Very high	9 Å²	9	34.8 Å²	34.8	5%	0.047	17%	0.168	C	C	.	.	H	α-helix	trans	-62.2	-43.1	177	-69.1	-179.1	0	0	0	111.6	Y110 R113 L114 F272 F279 G340 L341 V346 I347 E348	Y110-L344 HydrophobicContact CD2-CD1 4.03Å; Y110-L344 HydrophobicContact CE2-CD1 3.59Å; Y110-L344 HydrophobicContact CE2-CG 4.05Å; R113-L344 HydrophobicContact CB-CD1 3.66Å; L114-L344 HydrophobicContact CD2-CD1 4.35Å; F272-L344 HydrophobicContact CD1-CD2 4.04Å; F272-L344 HydrophobicContact CE1-CD2 3.91Å; F279-L344 HydrophobicContact CZ-CD2 3.84Å; G340-L344 PolarHBondContact O-N 3.49Å; L341-L344 PolarHBondContact O-N 3.26Å; L341-L344 VanDerWaalsContact O-N 3.13Å; L344-V346 VanDerWaalsContact C-N 3.35Å; L344-V346 PolarHBondContact O-N 2.9Å; L344-I347 PolarHBondContact O-N 2.99Å; L344-E348 PolarHBondContact O-N 3.02Å; L344-E348 VanDerWaalsContact O-N 3.11Å
345	D	98.9	Very high	98.8	Very high	76 Å²	76	36 Å²	36	41%	0.406	18%	0.175	S	C	.	.	H	α-helix	trans	-62.6	-41	178.3	-66.7	-16.5	0	0	0	111.8	R113 L341 A342 V343 E348 K349	R113-D345 IonicContact CZ-OD1 3.66Å; R113-D345 IonicContact NH1-OD1 2.93Å; R113-D345 PolarHBondContact NH1-OD1 3.47Å; R113-D345 IonicContact NH2-OD1 2.61Å; R113-D345 PolarHBondContact NH2-OD1 3.14Å; L341-D345 VanDerWaalsContact O-CG 3.32Å; L341-D345 PolarHBondContact O-N 2.92Å; A342-D345 PolarHBondContact O-N 3.31Å; V343-D345 VanDerWaalsContact C-N 3.34Å; D345-E348 PolarHBondContact O-N 3.38Å; D345-K349 WeakPolarHBondContact O-CB 3.06Å; D345-K349 PolarHBondContact O-N 3.03Å
346	V	98.9	Very high	98.8	Very high	1 Å²	1	36 Å²	36	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-66.5	-43.2	176.4	172.2	0	0	0	0	111.5	V78 H82 D84 A342 V343 L344 E348 E350 L352	V78-V346 HydrophobicContact CB-CB 4.43Å; V78-V346 HydrophobicContact CB-CG1 3.72Å; V78-V346 HydrophobicContact CG1-CB 4.36Å; V78-V346 HydrophobicContact CG1-CG1 4.02Å; V78-V346 HydrophobicContact CG2-CG1 4.17Å; H82-V346 WeakPolarHBondContact CE1-CG2 3.4Å; D84-V346 HydrophobicContact CB-CG2 3.96Å; A342-V346 WeakPolarHBondContact O-CB 3.31Å; A342-V346 WeakPolarHBondContact O-CG2 3.42Å; A342-V346 PolarHBondContact O-N 2.8Å; V343-V346 PolarHBondContact O-N 2.85Å; L344-V346 VanDerWaalsContact C-N 3.35Å; L344-V346 PolarHBondContact O-N 2.9Å; V346-E348 PolarHBondContact O-N 3.19Å; V346-E350 HydrophobicContact CG1-CG 4.32Å; V346-E350 WeakPolarHBondContact O-CB 3.36Å; V346-E350 PolarHBondContact O-N 3.21Å; V346-L352 HydrophobicContact CG1-CD1 4.02Å
347	I	98.9	Very high	98.8	Very high	9 Å²	9	39.8 Å²	39.8	5%	0.046	19%	0.194	C	C	.	.	H	α-helix	trans	-56.1	-42.2	176.7	-70.8	164.8	0	0	0	111.2	V78 F272 F279 V343 L344 D351 L352	V78-I347 HydrophobicContact CG1-CD1 4.38Å; V78-I347 HydrophobicContact CG1-CG1 3.75Å; F272-I347 HydrophobicContact CB-CD1 4.04Å; F272-I347 HydrophobicContact CD1-CD1 4.03Å; F279-I347 HydrophobicContact CE2-CG2 4.24Å; V343-I347 HydrophobicContact CG1-CD1 3.85Å; V343-I347 VanDerWaalsContact O-CG1 3.28Å; V343-I347 WeakPolarHBondContact O-CG1 3.41Å; V343-I347 PolarHBondContact O-N 2.86Å; L344-I347 PolarHBondContact O-N 2.99Å; I347-D351 PolarHBondContact O-N 2.94Å; I347-L352 HydrophobicContact CG1-CD1 4.28Å; I347-L352 PolarHBondContact O-N 2.82Å
348	E	98.7	Very high	98.8	Very high	142 Å²	142	46.3 Å²	46.3	66%	0.664	22%	0.219	S	C	*	.	H	α-helix	trans	-75	-52.8	-179.5	-175.9	168.4	-165.8	0	0	112.2	R113 L344 D345 V346 E350 D351	R113-E348 IonicContact NH2-OE2 2.89Å; R113-E348 PolarHBondContact NH2-OE2 3.03Å; L344-E348 PolarHBondContact O-N 3.02Å; L344-E348 VanDerWaalsContact O-N 3.11Å; D345-E348 PolarHBondContact O-N 3.38Å; V346-E348 PolarHBondContact O-N 3.19Å; E348-E350 VanDerWaalsContact C-N 3.3Å; E348-E350 PolarHBondContact O-N 3.11Å; E348-D351 PolarHBondContact O-N 2.93Å
349	K	98.7	Very high	98.8	Very high	147 Å²	147	46 Å²	46	64%	0.639	22%	0.216	S	C	*	.	H	α-helix	trans	-60.1	-36.6	-177.1	176.9	-177.3	165	-166.6	0	113	D84 D345	D84-K349 IonicContact OD2-NZ 2.99Å; D84-K349 PolarHBondContact OD2-NZ 3.29Å; D345-K349 WeakPolarHBondContact O-CB 3.06Å; D345-K349 PolarHBondContact O-N 3.03Å
350	E	98.8	Very high	98.8	Very high	81 Å²	81	45.4 Å²	45.4	38%	0.379	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	6.9	-177.1	-57.7	-170.2	177.7	0	0	113.3	H82 V346 E348 L352	H82-E350 IonicContact CE1-OE1 2.72Å; H82-E350 IonicContact NE2-OE1 2.77Å; H82-E350 PolarHBondContact NE2-OE1 2.95Å; H82-E350 VanDerWaalsContact NE2-OE1 3.15Å; H82-E350 IonicContact NE2-OE2 2.75Å; V346-E350 HydrophobicContact CG1-CG 4.32Å; V346-E350 WeakPolarHBondContact O-CB 3.36Å; V346-E350 PolarHBondContact O-N 3.21Å; E348-E350 VanDerWaalsContact C-N 3.3Å; E348-E350 PolarHBondContact O-N 3.11Å; E350-L352 HydrophobicContact CB-CD2 3.9Å; E350-L352 HydrophobicContact CB-CG 3.99Å; E350-L352 PolarHBondContact O-N 2.76Å
351	D	98.7	Very high	98.8	Very high	69 Å²	69	50.5 Å²	50.5	37%	0.369	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	44.3	-176.4	-179.5	39.8	0	0	0	112.1	I347 E348 R353 G354 N355 R358	I347-D351 PolarHBondContact O-N 2.94Å; E348-D351 PolarHBondContact O-N 2.93Å; D351-R353 PolarHBondContact O-N 2.64Å; D351-G354 CarbonylContact O-C 3.19Å; D351-G354 PolarHBondContact O-N 2.93Å; D351-G354 VanDerWaalsContact OD1-CA 3.26Å; D351-G354 WeakPolarHBondContact OD1-CA 3.49Å; D351-G354 PolarHBondContact OD1-N 2.94Å; D351-G354 VanDerWaalsContact OD1-N 3.08Å; D351-G354 WeakPolarHBondContact OD2-CA 3.37Å; D351-N355 PolarHBondContact O-N 2.92Å; D351-R358 IonicContact OD2-CZ 2.77Å; D351-R358 IonicContact OD2-NH1 3.6Å; D351-R358 PolarHBondContact OD2-NH1 2.98Å; D351-R358 IonicContact OD2-NH2 3.2Å; D351-R358 PolarHBondContact OD2-NH2 3.47Å
352	L	98.9	Very high	98.8	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-28.2	-174.4	-66.5	-174.6	0	0	0	112.3	V78 V346 I347 E350 N355 A356 L435	V78-L352 HydrophobicContact CB-CD1 3.79Å; V78-L352 HydrophobicContact CG1-CD1 3.65Å; V346-L352 HydrophobicContact CG1-CD1 4.02Å; I347-L352 HydrophobicContact CG1-CD1 4.28Å; I347-L352 PolarHBondContact O-N 2.82Å; E350-L352 HydrophobicContact CB-CD2 3.9Å; E350-L352 HydrophobicContact CB-CG 3.99Å; E350-L352 PolarHBondContact O-N 2.76Å; L352-N355 PolarHBondContact O-N 2.9Å; L352-A356 WeakPolarHBondContact O-CB 3.37Å; L352-A356 PolarHBondContact O-N 2.87Å; L352-L435 HydrophobicContact CB-CB 3.94Å; L352-L435 HydrophobicContact CB-CD1 3.87Å; L352-L435 HydrophobicContact CD1-CB 4.24Å; L352-L435 HydrophobicContact CD2-CB 4.4Å; L352-L435 HydrophobicContact CG-CB 4.43Å
353	R	98.6	Very high	98.8	Very high	115 Å²	115	52.7 Å²	52.7	43%	0.434	24%	0.242	S	C	.	.	H	α-helix	trans	-65.3	-47.7	170.5	-178.2	-174.9	72.2	-176.7	0.6	111	G276 D351 N355 A356 L357	G276-R353 WeakPolarHBondContact CA-O 3.31Å; G276-R353 WeakPolarHBondContact O-CD 3.07Å; G276-R353 WeakPolarHBondContact O-CG 3.01Å; D351-R353 PolarHBondContact O-N 2.64Å; R353-N355 VanDerWaalsContact C-N 3.31Å; R353-N355 PolarHBondContact O-N 3.11Å; R353-A356 WeakPolarHBondContact O-CB 3.36Å; R353-A356 PolarHBondContact O-N 3.12Å; R353-L357 PolarHBondContact O-N 2.84Å; R353-L357 VanDerWaalsContact O-N 3.07Å
354	G	98.8	Very high	98.8	Very high	10 Å²	10	54 Å²	54	10%	0.103	25%	0.25	C	S	.	.	H	α-helix	trans	-64.4	-36.1	175.4	0	0	0	0	0	112.3	D351 L357 R358	D351-G354 CarbonylContact O-C 3.19Å; D351-G354 PolarHBondContact O-N 2.93Å; D351-G354 VanDerWaalsContact OD1-CA 3.26Å; D351-G354 WeakPolarHBondContact OD1-CA 3.49Å; D351-G354 PolarHBondContact OD1-N 2.94Å; D351-G354 VanDerWaalsContact OD1-N 3.08Å; D351-G354 WeakPolarHBondContact OD2-CA 3.37Å; G354-L357 WeakPolarHBondContact O-CB 3.44Å; G354-L357 PolarHBondContact O-N 3.41Å; G354-R358 VanDerWaalsContact C-CZ 3.48Å; G354-R358 WeakPolarHBondContact O-CG 3.37Å; G354-R358 PolarHBondContact O-N 3Å; G354-R358 PolarHBondContact O-NH1 3.22Å
355	N	98.9	Very high	98.8	Very high	31 Å²	31	57.3 Å²	57.3	17%	0.166	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-45.8	172.6	-167.3	62.3	0	0	0	111.5	D351 L352 R353 L357 R358 V359 L435 F437	D351-N355 PolarHBondContact O-N 2.92Å; L352-N355 PolarHBondContact O-N 2.9Å; R353-N355 VanDerWaalsContact C-N 3.31Å; R353-N355 PolarHBondContact O-N 3.11Å; N355-L357 PolarHBondContact O-N 3.13Å; N355-R358 PolarHBondContact O-N 3.48Å; N355-V359 WeakPolarHBondContact O-CB 3.26Å; N355-V359 PolarHBondContact O-N 3.36Å; N355-V359 VanDerWaalsContact OD1-CG2 3.26Å; N355-V359 WeakPolarHBondContact OD1-CG2 3.13Å; N355-L435 PolarHBondContact ND2-O 3.18Å; N355-F437 PolarHBondContact ND2-O 3.4Å
356	A	98.9	Very high	98.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.8	-40	176	0	0	0	0	0	112.1	G273 L352 R353 G360 G384 L385 L435	G273-A356 WeakPolarHBondContact O-CB 3.35Å; L352-A356 WeakPolarHBondContact O-CB 3.37Å; L352-A356 PolarHBondContact O-N 2.87Å; R353-A356 WeakPolarHBondContact O-CB 3.36Å; R353-A356 PolarHBondContact O-N 3.12Å; A356-G360 VanDerWaalsContact O-CA 3.27Å; A356-G360 WeakPolarHBondContact O-CA 3.45Å; A356-G360 PolarHBondContact O-N 3.18Å; A356-G384 CarbonylContact O-C 3.54Å; A356-G384 WeakPolarHBondContact O-CA 3.33Å; A356-L385 HydrophobicContact CB-CD1 4.27Å; A356-L385 HydrophobicContact CB-CG 4.36Å; A356-L435 HydrophobicContact CB-CD2 3.89Å
357	L	98.8	Very high	98.7	Very high	82 Å²	82	54.1 Å²	54.1	43%	0.429	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-53.7	175.2	179.9	61.7	0	0	0	111.7	R353 G354 N355 Q361	R353-L357 PolarHBondContact O-N 2.84Å; R353-L357 VanDerWaalsContact O-N 3.07Å; G354-L357 WeakPolarHBondContact O-CB 3.44Å; G354-L357 PolarHBondContact O-N 3.41Å; N355-L357 PolarHBondContact O-N 3.13Å; L357-Q361 VanDerWaalsContact O-CB 3.31Å; L357-Q361 WeakPolarHBondContact O-CB 3.41Å; L357-Q361 PolarHBondContact O-N 3.07Å
358	R	98.9	Very high	98.7	Very high	136 Å²	136	56.7 Å²	56.7	51%	0.513	26%	0.263	S	S	.	.	H	α-helix	trans	-65.1	-53.8	-175.7	-69.5	-175.9	-62.5	-89.7	2.2	112	D351 G354 N355 Q361 Y362	D351-R358 IonicContact OD2-CZ 2.77Å; D351-R358 IonicContact OD2-NH1 3.6Å; D351-R358 PolarHBondContact OD2-NH1 2.98Å; D351-R358 IonicContact OD2-NH2 3.2Å; D351-R358 PolarHBondContact OD2-NH2 3.47Å; G354-R358 VanDerWaalsContact C-CZ 3.48Å; G354-R358 WeakPolarHBondContact O-CG 3.37Å; G354-R358 PolarHBondContact O-N 3Å; G354-R358 PolarHBondContact O-NH1 3.22Å; N355-R358 PolarHBondContact O-N 3.48Å; R358-Q361 PolarHBondContact O-N 3.02Å; R358-Y362 PolarHBondContact O-N 3.2Å
359	V	98.9	Very high	98.7	Very high	6 Å²	6	55.9 Å²	55.9	4%	0.036	26%	0.257	C	S	.	.	H	α-helix	trans	-73.9	-35.1	-176.5	-177.6	0	0	0	0	111	N355 Y362 L363 L385 F437 T438 T439	N355-V359 WeakPolarHBondContact O-CB 3.26Å; N355-V359 PolarHBondContact O-N 3.36Å; N355-V359 VanDerWaalsContact OD1-CG2 3.26Å; N355-V359 WeakPolarHBondContact OD1-CG2 3.13Å; V359-Y362 PolarHBondContact O-N 2.92Å; V359-L363 WeakPolarHBondContact O-CB 3.11Å; V359-L363 PolarHBondContact O-N 3.37Å; V359-L385 HydrophobicContact CB-CD2 4.47Å; V359-L385 HydrophobicContact CG1-CD2 4.17Å; V359-F437 HydrophobicContact CG1-CD1 3.86Å; V359-T438 WeakPolarHBondContact CG1-O 3.29Å; V359-T439 HydrophobicContact CG2-CG2 4.27Å
360	G	98.7	Very high	98.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-47.3	172.4	0	0	0	0	0	112.4	A356 Y362 L363 T364 G384	A356-G360 VanDerWaalsContact O-CA 3.27Å; A356-G360 WeakPolarHBondContact O-CA 3.45Å; A356-G360 PolarHBondContact O-N 3.18Å; G360-Y362 VanDerWaalsContact C-N 3.33Å; G360-Y362 PolarHBondContact O-N 3.1Å; G360-L363 PolarHBondContact O-N 3.38Å; G360-T364 PolarHBondContact O-N 2.85Å; G360-T364 PolarHBondContact O-OG1 2.83Å; G360-G384 VanDerWaalsContact CA-O 3.25Å; G360-G384 WeakPolarHBondContact CA-O 3.06Å
361	Q	98.6	Very high	98.7	Very high	107 Å²	107	47.5 Å²	47.5	50%	0.5	22%	0.22	S	C	.	.	H	α-helix	trans	-61.7	-41.8	175	-174.9	64	54.5	0	0	111.8	L357 R358 N365	L357-Q361 VanDerWaalsContact O-CB 3.31Å; L357-Q361 WeakPolarHBondContact O-CB 3.41Å; L357-Q361 PolarHBondContact O-N 3.07Å; R358-Q361 PolarHBondContact O-N 3.02Å; Q361-N365 PolarHBondContact NE2-OD1 2.92Å; Q361-N365 WeakPolarHBondContact O-CB 3.39Å; Q361-N365 PolarHBondContact O-N 2.84Å; Q361-N365 PolarHBondContact O-ND2 3.14Å; Q361-N365 PolarHBondContact O-OD1 3.39Å
362	Y	98.9	Very high	98.6	Very high	80 Å²	80	51.5 Å²	51.5	31%	0.314	24%	0.236	S	C	.	.	H	α-helix	trans	-60.4	-50.5	175.8	-175.8	-93.7	0	0	0	111.6	R358 V359 G360 T364 N365 V366 T439 A442 D443	R358-Y362 PolarHBondContact O-N 3.2Å; V359-Y362 PolarHBondContact O-N 2.92Å; G360-Y362 VanDerWaalsContact C-N 3.33Å; G360-Y362 PolarHBondContact O-N 3.1Å; Y362-T364 PolarHBondContact O-N 2.83Å; Y362-N365 WeakPolarHBondContact O-CB 3.18Å; Y362-N365 PolarHBondContact O-N 2.9Å; Y362-N365 VanDerWaalsContact O-N 3.11Å; Y362-V366 HydrophobicContact CD1-CG1 4.24Å; Y362-V366 HydrophobicContact CE1-CG1 3.75Å; Y362-V366 HydrophobicContact CE1-CG2 4.5Å; Y362-V366 HydrophobicContact CE2-CG1 4.34Å; Y362-V366 WeakPolarHBondContact O-CG2 3.26Å; Y362-V366 PolarHBondContact O-N 3.06Å; Y362-T439 HydrophobicContact CD1-CG2 3.67Å; Y362-T439 HydrophobicContact CD2-CG2 4.07Å; Y362-T439 HydrophobicContact CE1-CG2 4.17Å; Y362-T439 HydrophobicContact CG-CG2 3.61Å; Y362-A442 HydrophobicContact CD1-CB 3.86Å; Y362-A442 HydrophobicContact CE1-CB 4.07Å; Y362-D443 VanDerWaalsContact CE1-OD1 3.26Å; Y362-D443 WeakPolarHBondContact CE1-OD1 3.45Å; Y362-D443 VanDerWaalsContact OH-CG 3.29Å; Y362-D443 PolarHBondContact OH-OD1 2.86Å; Y362-D443 PolarHBondContact OH-OD2 2.77Å
363	L	98.8	Very high	98.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-55.7	-48.9	177.3	177.2	61.9	0	0	0	111.4	V359 G360 N365 V366 L367 V387 F431 A442	V359-L363 WeakPolarHBondContact O-CB 3.11Å; V359-L363 PolarHBondContact O-N 3.37Å; G360-L363 PolarHBondContact O-N 3.38Å; L363-N365 VanDerWaalsContact C-N 3.33Å; L363-N365 PolarHBondContact O-N 3.28Å; L363-V366 HydrophobicContact CD1-CG2 4.45Å; L363-V366 WeakPolarHBondContact O-CG2 3.43Å; L363-V366 PolarHBondContact O-N 3.11Å; L363-L367 HydrophobicContact CD1-CD1 3.81Å; L363-L367 HydrophobicContact CD1-CG 4.09Å; L363-L367 HydrophobicContact CG-CD1 3.84Å; L363-L367 WeakPolarHBondContact O-CB 3.43Å; L363-L367 VanDerWaalsContact O-CG 3.25Å; L363-L367 WeakPolarHBondContact O-CG 3.42Å; L363-L367 PolarHBondContact O-N 3.05Å; L363-V387 HydrophobicContact CD2-CG2 4.33Å; L363-F431 HydrophobicContact CD2-CB 4.13Å; L363-F431 HydrophobicContact CD2-CD1 4.41Å; L363-F431 HydrophobicContact CD2-CG 4.3Å; L363-A442 HydrophobicContact CB-CB 4.26Å; L363-A442 HydrophobicContact CD1-CB 3.93Å
364	T	98.5	Very high	98.5	Very high	28 Å²	28	51.1 Å²	51.1	17%	0.172	24%	0.238	C	C	.	.	H	α-helix	trans	-58.9	-44.9	175.7	-61.9	0	0	0	0	111.4	G360 Y362 V366 L367 E368 I380	G360-T364 PolarHBondContact O-N 2.85Å; G360-T364 PolarHBondContact O-OG1 2.83Å; Y362-T364 PolarHBondContact O-N 2.83Å; T364-V366 PolarHBondContact O-N 3.12Å; T364-L367 PolarHBondContact O-N 3.25Å; T364-E368 HydrophobicContact CG2-CG 4.38Å; T364-E368 WeakPolarHBondContact O-CB 3.19Å; T364-E368 WeakPolarHBondContact O-CG 3.33Å; T364-E368 PolarHBondContact O-N 3.36Å; T364-I380 HydrophobicContact CG2-CG2 4.21Å
365	N	98.6	Very high	98.4	Very high	78 Å²	78	51.9 Å²	51.9	42%	0.417	24%	0.241	S	C	.	.	H	α-helix	trans	-63.2	-40.7	-180	-69.6	-13.4	0	0	0	112.8	Q361 Y362 L363 E368 K369	Q361-N365 PolarHBondContact NE2-OD1 2.92Å; Q361-N365 WeakPolarHBondContact O-CB 3.39Å; Q361-N365 PolarHBondContact O-N 2.84Å; Q361-N365 PolarHBondContact O-ND2 3.14Å; Q361-N365 PolarHBondContact O-OD1 3.39Å; Y362-N365 WeakPolarHBondContact O-CB 3.18Å; Y362-N365 PolarHBondContact O-N 2.9Å; Y362-N365 VanDerWaalsContact O-N 3.11Å; L363-N365 VanDerWaalsContact C-N 3.33Å; L363-N365 PolarHBondContact O-N 3.28Å; N365-E368 PolarHBondContact O-N 3.03Å; N365-K369 PolarHBondContact O-N 2.79Å
366	V	98.6	Very high	98.4	Very high	11 Å²	11	50.4 Å²	50.4	7%	0.067	23%	0.233	C	C	.	.	H	α-helix	trans	-72.2	-35.5	178.1	-63.2	0	0	0	0	111.7	Y362 L363 T364 K369 Q370 V446	Y362-V366 HydrophobicContact CD1-CG1 4.24Å; Y362-V366 HydrophobicContact CE1-CG1 3.75Å; Y362-V366 HydrophobicContact CE1-CG2 4.5Å; Y362-V366 HydrophobicContact CE2-CG1 4.34Å; Y362-V366 WeakPolarHBondContact O-CG2 3.26Å; Y362-V366 PolarHBondContact O-N 3.06Å; L363-V366 HydrophobicContact CD1-CG2 4.45Å; L363-V366 WeakPolarHBondContact O-CG2 3.43Å; L363-V366 PolarHBondContact O-N 3.11Å; T364-V366 PolarHBondContact O-N 3.12Å; V366-K369 WeakPolarHBondContact O-CB 3.21Å; V366-K369 PolarHBondContact O-N 3.15Å; V366-Q370 PolarHBondContact O-N 3.43Å; V366-V446 HydrophobicContact CB-CG2 4.09Å; V366-V446 HydrophobicContact CG2-CG2 3.64Å
367	L	98.6	Very high	98.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.9	-37.4	172.8	-69.3	169.3	0	0	0	111.7	L363 T364 K369 Q370 K371 I380 V387 V389 F431 V446 L449	L363-L367 HydrophobicContact CD1-CD1 3.81Å; L363-L367 HydrophobicContact CD1-CG 4.09Å; L363-L367 HydrophobicContact CG-CD1 3.84Å; L363-L367 WeakPolarHBondContact O-CB 3.43Å; L363-L367 VanDerWaalsContact O-CG 3.25Å; L363-L367 WeakPolarHBondContact O-CG 3.42Å; L363-L367 PolarHBondContact O-N 3.05Å; T364-L367 PolarHBondContact O-N 3.25Å; L367-K369 VanDerWaalsContact C-N 3.26Å; L367-K369 PolarHBondContact O-N 3.5Å; L367-Q370 CarbonylContact O-C 3.54Å; L367-Q370 WeakPolarHBondContact O-CA 3.14Å; L367-Q370 VanDerWaalsContact O-CB 3.25Å; L367-Q370 WeakPolarHBondContact O-CB 3.35Å; L367-Q370 PolarHBondContact O-N 2.83Å; L367-K371 PolarHBondContact O-N 3.02Å; L367-I380 HydrophobicContact CB-CD1 3.71Å; L367-I380 HydrophobicContact CB-CG1 4.49Å; L367-I380 HydrophobicContact CB-CG2 4.38Å; L367-I380 WeakPolarHBondContact O-CD1 3.39Å; L367-V387 HydrophobicContact CD1-CG1 3.95Å; L367-V389 HydrophobicContact CD1-CG2 3.74Å; L367-V389 HydrophobicContact CD2-CG2 4.1Å; L367-V389 HydrophobicContact CG-CG2 4.38Å; L367-F431 HydrophobicContact CD1-CD2 4.43Å; L367-F431 HydrophobicContact CD1-CE2 4.26Å; L367-V446 HydrophobicContact CD2-CG2 4.21Å; L367-L449 HydrophobicContact CD2-CD2 4.06Å
368	E	98.4	Very high	98.3	Very high	62 Å²	62	46.9 Å²	46.9	29%	0.29	22%	0.216	S	C	.	.	H	α-helix	trans	-61.9	-34.8	175.5	-79.7	-66.1	169.6	0	0	112.3	T364 N365 Q370 K371 Q372 I380	T364-E368 HydrophobicContact CG2-CG 4.38Å; T364-E368 WeakPolarHBondContact O-CB 3.19Å; T364-E368 WeakPolarHBondContact O-CG 3.33Å; T364-E368 PolarHBondContact O-N 3.36Å; N365-E368 PolarHBondContact O-N 3.03Å; E368-Q370 VanDerWaalsContact C-N 3.3Å; E368-Q370 PolarHBondContact O-N 3.23Å; E368-K371 WeakPolarHBondContact O-CB 3.47Å; E368-K371 PolarHBondContact O-N 3.48Å; E368-K371 WeakPolarHBondContact OE2-CD 3.29Å; E368-Q372 WeakPolarHBondContact O-CG 3.34Å; E368-Q372 PolarHBondContact O-N 2.79Å; E368-I380 HydrophobicContact CG-CD1 4.17Å
369	K	98.3	Very high	98.3	Very high	125 Å²	125	41.7 Å²	41.7	54%	0.543	20%	0.199	S	C	.	.	H	α-helix	trans	-64.2	-36.9	169.7	-64.8	172.4	-176	175.6	0	111.7	N365 V366 L367 Q372	N365-K369 PolarHBondContact O-N 2.79Å; V366-K369 WeakPolarHBondContact O-CB 3.21Å; V366-K369 PolarHBondContact O-N 3.15Å; L367-K369 VanDerWaalsContact C-N 3.26Å; L367-K369 PolarHBondContact O-N 3.5Å; K369-Q372 PolarHBondContact O-N 2.81Å
370	Q	98.4	Very high	98.3	Very high	7 Å²	7	42 Å²	42	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-66.3	-39	174.4	-63.8	-59.8	-32	0	0	111.7	V366 L367 E368 Q372 K373 H374 I377 V446 D450	V366-Q370 PolarHBondContact O-N 3.43Å; L367-Q370 CarbonylContact O-C 3.54Å; L367-Q370 WeakPolarHBondContact O-CA 3.14Å; L367-Q370 VanDerWaalsContact O-CB 3.25Å; L367-Q370 WeakPolarHBondContact O-CB 3.35Å; L367-Q370 PolarHBondContact O-N 2.83Å; E368-Q370 VanDerWaalsContact C-N 3.3Å; E368-Q370 PolarHBondContact O-N 3.23Å; Q370-Q372 PolarHBondContact O-N 3.18Å; Q370-K373 PolarHBondContact O-N 2.93Å; Q370-H374 WeakPolarHBondContact O-CB 3.4Å; Q370-H374 PolarHBondContact O-CD2 2.84Å; Q370-H374 PolarHBondContact O-N 2.82Å; Q370-H374 PolarHBondContact OE1-CD2 2.78Å; Q370-H374 PolarHBondContact OE1-NE2 3.36Å; Q370-I377 HydrophobicContact CB-CD1 3.81Å; Q370-V446 HydrophobicContact CG-CG1 3.64Å; Q370-V446 HydrophobicContact CG-CG2 4.42Å; Q370-D450 PolarHBondContact NE2-OD2 2.89Å; Q370-D450 VanDerWaalsContact OE1-CG 3.24Å; Q370-D450 PolarHBondContact OE1-OD2 3.43Å
371	K	98.3	Very high	98.3	Very high	45 Å²	45	43.1 Å²	43.1	20%	0.196	20%	0.204	C	C	.	.	H	α-helix	trans	-59.2	-32.9	173.9	-177.7	178	179.9	179.6	0	113	L367 E368 K373 I377 G378 D379 I380 R395	L367-K371 PolarHBondContact O-N 3.02Å; E368-K371 WeakPolarHBondContact O-CB 3.47Å; E368-K371 PolarHBondContact O-N 3.48Å; E368-K371 WeakPolarHBondContact OE2-CD 3.29Å; K371-K373 VanDerWaalsContact C-N 3.3Å; K371-I377 HydrophobicContact CB-CB 4.18Å; K371-I377 HydrophobicContact CB-CG2 3.7Å; K371-I377 HydrophobicContact CD-CG2 4.23Å; K371-I377 HydrophobicContact CG-CB 4.26Å; K371-I377 HydrophobicContact CG-CG2 3.77Å; K371-G378 WeakPolarHBondContact CE-O 3.26Å; K371-G378 PolarHBondContact NZ-O 2.87Å; K371-D379 IonicContact NZ-OD1 3.83Å; K371-I380 HydrophobicContact CB-CD1 3.71Å; K371-I380 HydrophobicContact CD-CD1 4.12Å; K371-I380 HydrophobicContact CD-CG1 4.34Å; K371-R395 PolarHBondContact O-NH2 2.91Å
372	Q	96.9	Very high	98.2	Very high	153 Å²	153	38.4 Å²	38.4	72%	0.715	18%	0.184	S	C	*	.	H	α-helix	trans	-69.1	-30.5	176.1	-66.6	170.4	14.1	0	0	112.5	E368 K369 Q370	E368-Q372 WeakPolarHBondContact O-CG 3.34Å; E368-Q372 PolarHBondContact O-N 2.79Å; K369-Q372 PolarHBondContact O-N 2.81Å; Q370-Q372 PolarHBondContact O-N 3.18Å
373	K	97.3	Very high	98.1	Very high	108 Å²	108	40.2 Å²	40.2	47%	0.47	19%	0.19	S	C	.	.	H	α-helix	trans	-86.6	-39.4	-179.4	-62.8	176.4	178.9	-172.8	0	113.4	Q370 K371 P375 D450	Q370-K373 PolarHBondContact O-N 2.93Å; K371-K373 VanDerWaalsContact C-N 3.3Å; K373-P375 WeakPolarHBondContact O-CD 3.45Å; K373-D450 IonicContact NZ-OD2 3.06Å; K373-D450 PolarHBondContact NZ-OD2 2.92Å
374	H	98.2	Very high	98.1	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.019	20%	0.195	C	C	.	.			trans	-108.5	102.9	-165.8	-66.4	-57.5	0	0	0	112.2	Q370 L376 I377 R395 D450 L453 T454 E457	Q370-H374 WeakPolarHBondContact O-CB 3.4Å; Q370-H374 PolarHBondContact O-CD2 2.84Å; Q370-H374 PolarHBondContact O-N 2.82Å; Q370-H374 PolarHBondContact OE1-CD2 2.78Å; Q370-H374 PolarHBondContact OE1-NE2 3.36Å; H374-L376 PolarHBondContact O-N 3.34Å; H374-I377 HydrophobicContact CB-CD1 4.13Å; H374-I377 HydrophobicContact CB-CG1 4.2Å; H374-I377 PolarHBondContact O-N 3.45Å; H374-R395 PolarHBondContact O-NH2 3.04Å; H374-D450 PolarHBondContact CE1-O 2.81Å; H374-D450 IonicContact CE1-OD1 3.18Å; H374-D450 IonicContact NE2-OD1 3.96Å; H374-D450 PolarHBondContact NE2-OD1 2.95Å; H374-L453 HydrophobicContact CB-CB 4.3Å; H374-L453 HydrophobicContact CB-CD1 4.03Å; H374-L453 WeakPolarHBondContact ND1-CB 3.43Å; H374-T454 PolarHBondContact CE1-OG1 3.2Å; H374-E457 WeakPolarHBondContact CA-OE1 3.35Å; H374-E457 WeakPolarHBondContact CB-OE1 3.5Å; H374-E457 IonicContact CE1-OE2 3.36Å; H374-E457 IonicContact CG-OE1 3.47Å; H374-E457 IonicContact CG-OE2 2.76Å; H374-E457 IonicContact ND1-OE1 2.78Å; H374-E457 IonicContact ND1-OE2 3.73Å; H374-E457 PolarHBondContact ND1-OE2 3.01Å
375	P	97	Very high	98.1	Very high	26 Å²	26	39.4 Å²	39.4	17%	0.169	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-28.6	175.5	19.8	-34.5	0	0	0	114.3	K373 I377 R395 E457 L462	K373-P375 WeakPolarHBondContact O-CD 3.45Å; P375-I377 PolarHBondContact O-N 3.42Å; P375-R395 PolarHBondContact O-NE 2.9Å; P375-R395 VanDerWaalsContact O-NE 3.13Å; P375-E457 VanDerWaalsContact CD-CD 3.43Å; P375-E457 WeakPolarHBondContact CD-OE1 3.49Å; P375-E457 HydrophobicContact CG-CG 4.17Å; P375-E457 WeakPolarHBondContact CG-OE1 3.32Å; P375-L462 HydrophobicContact CG-CB 4.01Å
376	L	98.2	Very high	98.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-28.9	176.6	-78.4	175.9	0	0	0	113.5	H374 G378 L391 V392 A401 E404 L453 L456 E457 L460 L462	H374-L376 PolarHBondContact O-N 3.34Å; L376-G378 PolarHBondContact O-N 3.14Å; L376-L391 CarbonylContact O-C 3.57Å; L376-L391 WeakPolarHBondContact O-CA 3.16Å; L376-V392 WeakPolarHBondContact CA-O 3.48Å; L376-V392 PolarHBondContact O-N 3.29Å; L376-A401 HydrophobicContact CD2-CB 4.23Å; L376-E404 HydrophobicContact CD2-CG 4.31Å; L376-L453 HydrophobicContact CB-CD2 4.5Å; L376-L453 HydrophobicContact CD1-CD2 4.27Å; L376-L456 HydrophobicContact CD1-CB 4.15Å; L376-E457 HydrophobicContact CB-CG 4.5Å; L376-E457 WeakPolarHBondContact CB-OE1 3.49Å; L376-E457 HydrophobicContact CD1-CG 3.7Å; L376-E457 HydrophobicContact CG-CG 3.8Å; L376-E457 PolarHBondContact N-OE1 3.5Å; L376-L460 HydrophobicContact CD2-CD1 4.45Å; L376-L462 HydrophobicContact CD2-CD1 3.63Å; L376-L462 HydrophobicContact CG-CD1 3.86Å
377	I	98.7	Very high	98.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	109.6	177.6	-59.2	174.2	0	0	0	108.8	Q370 K371 H374 P375 I380 V389 L391 R395 L453	Q370-I377 HydrophobicContact CB-CD1 3.81Å; K371-I377 HydrophobicContact CB-CB 4.18Å; K371-I377 HydrophobicContact CB-CG2 3.7Å; K371-I377 HydrophobicContact CD-CG2 4.23Å; K371-I377 HydrophobicContact CG-CB 4.26Å; K371-I377 HydrophobicContact CG-CG2 3.77Å; H374-I377 HydrophobicContact CB-CD1 4.13Å; H374-I377 HydrophobicContact CB-CG1 4.2Å; H374-I377 PolarHBondContact O-N 3.45Å; P375-I377 PolarHBondContact O-N 3.42Å; I377-I380 HydrophobicContact CG2-CD1 4.1Å; I377-I380 HydrophobicContact CG2-CG1 3.89Å; I377-V389 HydrophobicContact CB-CG1 4.47Å; I377-V389 HydrophobicContact CD1-CG1 4.26Å; I377-V389 HydrophobicContact CG1-CG1 4.04Å; I377-V389 HydrophobicContact CG2-CG1 3.76Å; I377-L391 HydrophobicContact CG1-CD2 3.92Å; I377-R395 PolarHBondContact O-NE 3.37Å; I377-R395 PolarHBondContact O-NH2 2.97Å; I377-L453 HydrophobicContact CD1-CD1 3.78Å; I377-L453 HydrophobicContact CG1-CD1 4.12Å
378	G	98.3	Very high	98.1	Very high	7 Å²	7	35.1 Å²	35.1	7%	0.072	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-44.9	178.6	0	0	0	0	0	112.9	Y194 K371 L376 E390	Y194-G378 VanDerWaalsContact OH-C 3.31Å; Y194-G378 VanDerWaalsContact OH-CA 3.24Å; Y194-G378 WeakPolarHBondContact OH-CA 3.48Å; K371-G378 WeakPolarHBondContact CE-O 3.26Å; K371-G378 PolarHBondContact NZ-O 2.87Å; L376-G378 PolarHBondContact O-N 3.14Å; G378-E390 PolarHBondContact N-O 3.35Å
379	D	98.6	Very high	98.2	Very high	28 Å²	28	32.2 Å²	32.2	15%	0.15	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.2	-177.9	-172.5	44.2	0	0	0	112.8	Y194 K371 R381 V389 E390	Y194-D379 HydrophobicContact CD1-CB 3.9Å; Y194-D379 HydrophobicContact CD2-CB 3.7Å; Y194-D379 HydrophobicContact CE1-CB 3.82Å; Y194-D379 HydrophobicContact CE2-CB 3.63Å; Y194-D379 HydrophobicContact CG-CB 3.82Å; K371-D379 IonicContact NZ-OD1 3.83Å; D379-R381 WeakPolarHBondContact OD2-CD 3.49Å; D379-R381 IonicContact OD2-CZ 3.64Å; D379-R381 IonicContact OD2-NE 3.86Å; D379-R381 IonicContact OD2-NH1 3Å; D379-R381 PolarHBondContact OD2-NH1 3.26Å; D379-V389 WeakPolarHBondContact O-CA 3.44Å; D379-E390 HydrophobicContact CB-CB 4.25Å; D379-E390 PolarHBondContact N-O 2.96Å; D379-E390 PolarHBondContact O-N 3.4Å
380	I	98.4	Very high	98.2	Very high	12 Å²	12	26.4 Å²	26.4	6%	0.062	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	123	170.8	-62.8	167.2	0	0	0	106.6	T364 L367 E368 K371 I377 V387 G388 V389	T364-I380 HydrophobicContact CG2-CG2 4.21Å; L367-I380 HydrophobicContact CB-CD1 3.71Å; L367-I380 HydrophobicContact CB-CG1 4.49Å; L367-I380 HydrophobicContact CB-CG2 4.38Å; L367-I380 WeakPolarHBondContact O-CD1 3.39Å; E368-I380 HydrophobicContact CG-CD1 4.17Å; K371-I380 HydrophobicContact CB-CD1 3.71Å; K371-I380 HydrophobicContact CD-CD1 4.12Å; K371-I380 HydrophobicContact CD-CG1 4.34Å; I377-I380 HydrophobicContact CG2-CD1 4.1Å; I377-I380 HydrophobicContact CG2-CG1 3.89Å; I380-V387 HydrophobicContact CG2-CG1 4.25Å; I380-G388 WeakPolarHBondContact CA-O 3.3Å; I380-V389 HydrophobicContact CG1-CG1 4.38Å; I380-V389 HydrophobicContact CG1-CG2 4.33Å
381	R	97.9	Very high	98.2	Very high	25 Å²	25	26.1 Å²	26.1	9%	0.094	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	148.1	-176.6	55.2	-177.7	174.7	-91.9	6	110.4	G240 Q241 D379 V387 G388 E390	G240-R381 VanDerWaalsContact O-CZ 3.25Å; G240-R381 PolarHBondContact O-NE 3.49Å; G240-R381 PolarHBondContact O-NH2 3.04Å; Q241-R381 WeakPolarHBondContact O-CD 3.49Å; D379-R381 WeakPolarHBondContact OD2-CD 3.49Å; D379-R381 IonicContact OD2-CZ 3.64Å; D379-R381 IonicContact OD2-NE 3.86Å; D379-R381 IonicContact OD2-NH1 3Å; D379-R381 PolarHBondContact OD2-NH1 3.26Å; R381-V387 CarbonylContact O-C 3.55Å; R381-V387 WeakPolarHBondContact O-CA 3.39Å; R381-G388 PolarHBondContact N-O 3.27Å; R381-G388 PolarHBondContact O-N 3.05Å; R381-E390 IonicContact CZ-OE2 2.8Å; R381-E390 IonicContact NH1-OE2 2.73Å; R381-E390 PolarHBondContact NH1-OE2 2.99Å; R381-E390 IonicContact NH2-OE2 3.85Å; R381-E390 PolarHBondContact NH2-OE2 3.15Å
382	G	96.9	Very high	98.2	Very high	8 Å²	8	24 Å²	24	8%	0.082	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.8	170.2	-178.9	0	0	0	0	0	114.1	F386	G382-F386 CarbonylContact C-O 3.6Å; G382-F386 WeakPolarHBondContact CA-O 3.08Å
383	R	98.2	Very high	98.2	Very high	118 Å²	118	21.3 Å²	21.3	45%	0.445	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	133.4	169	-68.6	-66.1	-175.6	-89.8	1.3	108.3	I243 V275 L284 L385 F386	I243-R383 HydrophobicContact CD1-CG 4.05Å; V275-R383 HydrophobicContact CB-CB 3.98Å; V275-R383 HydrophobicContact CG1-CB 4.16Å; L284-R383 HydrophobicContact CD1-CB 4.27Å; L284-R383 HydrophobicContact CD1-CG 3.91Å; R383-L385 PolarHBondContact O-N 2.96Å; R383-F386 PolarHBondContact N-O 3.03Å; R383-F386 PolarHBondContact O-N 3.47Å
384	G	98.6	Very high	98	Very high	10 Å²	10	18.7 Å²	18.7	10%	0.103	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	-135	-175.3	0	0	0	0	0	112	V275 A356 G360 F386	V275-G384 PolarHBondContact O-N 3.1Å; A356-G384 CarbonylContact O-C 3.54Å; A356-G384 WeakPolarHBondContact O-CA 3.33Å; G360-G384 VanDerWaalsContact CA-O 3.25Å; G360-G384 WeakPolarHBondContact CA-O 3.06Å; G384-F386 PolarHBondContact O-N 3Å
385	L	98.8	Very high	97.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	45.2	178	-70.1	171.2	0	0	0	112.2	R274 A356 V359 R383 P433 L435 F437	R274-L385 WeakPolarHBondContact CD-O 3.26Å; R274-L385 PolarHBondContact NH1-O 3.06Å; R274-L385 VanDerWaalsContact NH1-O 3.17Å; R274-L385 PolarHBondContact O-N 3.36Å; A356-L385 HydrophobicContact CB-CD1 4.27Å; A356-L385 HydrophobicContact CB-CG 4.36Å; V359-L385 HydrophobicContact CB-CD2 4.47Å; V359-L385 HydrophobicContact CG1-CD2 4.17Å; R383-L385 PolarHBondContact O-N 2.96Å; L385-P433 HydrophobicContact CB-CG 4.43Å; L385-P433 HydrophobicContact CD2-CG 4.06Å; L385-L435 HydrophobicContact CB-CD2 4.25Å; L385-L435 HydrophobicContact CD1-CD2 3.99Å; L385-F437 HydrophobicContact CD1-CB 4.18Å; L385-F437 HydrophobicContact CD2-CD1 4.29Å
386	F	98.6	Very high	97.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	93.3	169	-176.3	-90.3	0	0	0	107.8	L235 Q241 V270 R274 G382 R383 G384 F431	L235-F386 HydrophobicContact CB-CD1 4.32Å; L235-F386 HydrophobicContact CB-CE1 3.67Å; L235-F386 HydrophobicContact CB-CZ 4.12Å; L235-F386 HydrophobicContact CD2-CD1 3.65Å; L235-F386 HydrophobicContact CD2-CE1 3.84Å; L235-F386 HydrophobicContact CG-CE1 4.44Å; Q241-F386 HydrophobicContact CB-CE1 3.98Å; Q241-F386 HydrophobicContact CG-CE1 4.49Å; Q241-F386 VanDerWaalsContact NE2-CE1 3.25Å; V270-F386 HydrophobicContact CG1-CD2 3.66Å; V270-F386 HydrophobicContact CG1-CE1 4.39Å; V270-F386 HydrophobicContact CG1-CE2 3.47Å; V270-F386 VanDerWaalsContact CG1-CE2 3.47Å; V270-F386 HydrophobicContact CG1-CG 4.18Å; V270-F386 HydrophobicContact CG1-CZ 3.86Å; R274-F386 HydrophobicContact CG-CB 3.97Å; G382-F386 CarbonylContact C-O 3.6Å; G382-F386 WeakPolarHBondContact CA-O 3.08Å; R383-F386 PolarHBondContact N-O 3.03Å; R383-F386 PolarHBondContact O-N 3.47Å; G384-F386 PolarHBondContact O-N 3Å; F386-F431 WeakPolarHBondContact CA-O 3.35Å
387	V	98.6	Very high	97.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.6	-172	-179.8	0	0	0	0	110.4	L363 L367 I380 R381 F431	L363-V387 HydrophobicContact CD2-CG2 4.33Å; L367-V387 HydrophobicContact CD1-CG1 3.95Å; I380-V387 HydrophobicContact CG2-CG1 4.25Å; R381-V387 CarbonylContact O-C 3.55Å; R381-V387 WeakPolarHBondContact O-CA 3.39Å; V387-F431 HydrophobicContact CB-CB 4.13Å; V387-F431 PolarHBondContact N-O 2.98Å; V387-F431 PolarHBondContact O-N 3.26Å
388	G	98.5	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137	171.3	0	0	0	0	0	110.8	I380 R381 L429	I380-G388 WeakPolarHBondContact CA-O 3.3Å; R381-G388 PolarHBondContact N-O 3.27Å; R381-G388 PolarHBondContact O-N 3.05Å; G388-L429 CarbonylContact C-O 3.57Å; G388-L429 WeakPolarHBondContact CA-O 3.44Å
389	V	98.8	Very high	97.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	105.4	170.4	-178.5	0	0	0	0	107	L367 I377 D379 I380 L391 V428 L429 F431	L367-V389 HydrophobicContact CD1-CG2 3.74Å; L367-V389 HydrophobicContact CD2-CG2 4.1Å; L367-V389 HydrophobicContact CG-CG2 4.38Å; I377-V389 HydrophobicContact CB-CG1 4.47Å; I377-V389 HydrophobicContact CD1-CG1 4.26Å; I377-V389 HydrophobicContact CG1-CG1 4.04Å; I377-V389 HydrophobicContact CG2-CG1 3.76Å; D379-V389 WeakPolarHBondContact O-CA 3.44Å; I380-V389 HydrophobicContact CG1-CG1 4.38Å; I380-V389 HydrophobicContact CG1-CG2 4.33Å; V389-L391 HydrophobicContact CG1-CD2 4.14Å; V389-V428 CarbonylContact O-C 3.51Å; V389-V428 WeakPolarHBondContact O-CA 3.23Å; V389-L429 HydrophobicContact CB-CB 4.22Å; V389-L429 PolarHBondContact N-O 3.37Å; V389-L429 PolarHBondContact O-N 2.88Å; V389-F431 HydrophobicContact CB-CE2 4.4Å; V389-F431 HydrophobicContact CG2-CD2 4.21Å; V389-F431 HydrophobicContact CG2-CE2 3.65Å
390	E	98.7	Very high	97.3	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.014	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.6	-177.8	-175	164.3	175.1	0	0	111.2	Y194 R195 G378 D379 R381 V392 N427 V428	Y194-E390 WeakPolarHBondContact CD1-OE2 3.45Å; Y194-E390 HydrophobicContact CE1-CB 4.43Å; Y194-E390 VanDerWaalsContact CE1-CD 3.46Å; Y194-E390 HydrophobicContact CE1-CG 4.09Å; Y194-E390 WeakPolarHBondContact CE1-OE2 3.25Å; R195-E390 IonicContact CZ-OE1 3.45Å; R195-E390 VanDerWaalsContact CZ-OE1 3.27Å; R195-E390 IonicContact NE-OE1 3.29Å; R195-E390 PolarHBondContact NE-OE1 3.06Å; R195-E390 IonicContact NH2-OE1 3.03Å; R195-E390 PolarHBondContact NH2-OE1 2.89Å; G378-E390 PolarHBondContact N-O 3.35Å; D379-E390 HydrophobicContact CB-CB 4.25Å; D379-E390 PolarHBondContact N-O 2.96Å; D379-E390 PolarHBondContact O-N 3.4Å; R381-E390 IonicContact CZ-OE2 2.8Å; R381-E390 IonicContact NH1-OE2 2.73Å; R381-E390 PolarHBondContact NH1-OE2 2.99Å; R381-E390 IonicContact NH2-OE2 3.85Å; R381-E390 PolarHBondContact NH2-OE2 3.15Å; E390-V392 HydrophobicContact CG-CG1 4.35Å; E390-N427 VanDerWaalsContact CG-ND2 3.31Å; E390-N427 WeakPolarHBondContact CG-ND2 3.26Å; E390-N427 PolarHBondContact OE1-ND2 2.77Å; E390-N427 VanDerWaalsContact OE1-ND2 3.17Å; E390-V428 HydrophobicContact CB-CG2 4.1Å; E390-V428 HydrophobicContact CG-CG2 3.94Å
391	L	98.8	Very high	97.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.2	177.4	-53.8	-171.5	0	0	0	111.3	L376 I377 V389 A401 A405 V408 N427 L429	L376-L391 CarbonylContact O-C 3.57Å; L376-L391 WeakPolarHBondContact O-CA 3.16Å; I377-L391 HydrophobicContact CG1-CD2 3.92Å; V389-L391 HydrophobicContact CG1-CD2 4.14Å; L391-A401 HydrophobicContact CB-CB 3.82Å; L391-A401 PolarHBondContact O-N 3.21Å; L391-A405 HydrophobicContact CD1-CB 4Å; L391-V408 HydrophobicContact CD1-CG2 4.19Å; L391-N427 PolarHBondContact N-O 3Å; L391-N427 PolarHBondContact O-ND2 3.23Å; L391-L429 HydrophobicContact CD1-CD1 4.11Å; L391-L429 HydrophobicContact CD1-CD2 4.5Å; L391-L429 HydrophobicContact CD1-CG 4.21Å; L391-L429 HydrophobicContact CD2-CD1 4.42Å; L391-L429 HydrophobicContact CG-CD1 4.35Å; L391-L429 HydrophobicContact CG-CG 4.27Å
392	V	98.4	Very high	97.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146.8	178.6	-60.3	0	0	0	0	110.7	Y194 L376 E390 D394 R395 T399	Y194-V392 HydrophobicContact CE1-CG1 4.42Å; L376-V392 WeakPolarHBondContact CA-O 3.48Å; L376-V392 PolarHBondContact O-N 3.29Å; E390-V392 HydrophobicContact CG-CG1 4.35Å; V392-D394 VanDerWaalsContact C-N 3.32Å; V392-R395 HydrophobicContact CG2-CG 4Å; V392-T399 CarbonylContact C-O 3.17Å; V392-T399 WeakPolarHBondContact CA-O 3.34Å; V392-T399 WeakPolarHBondContact CB-O 3.27Å
393	K	95.9	Very high	97.3	Very high	97 Å²	97	42.4 Å²	42.4	42%	0.422	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-22.6	174.9	-53.7	-171.6	-172.8	-128	0	112.3	T399 P400 A401 E404	K393-T399 HydrophobicContact CD-CG2 4.45Å; K393-T399 PolarHBondContact N-O 2.95Å; K393-P400 WeakPolarHBondContact CE-O 3.25Å; K393-A401 HydrophobicContact CG-CB 3.93Å; K393-E404 VanDerWaalsContact CE-OE1 3.22Å; K393-E404 WeakPolarHBondContact CE-OE1 3.43Å; K393-E404 IonicContact NZ-OE1 2.74Å; K393-E404 PolarHBondContact NZ-OE1 2.88Å; K393-E404 IonicContact NZ-OE2 2.6Å; K393-E404 PolarHBondContact NZ-OE2 2.83Å
394	D	94.3	Very high	97.4	Very high	53 Å²	53	37.4 Å²	37.4	28%	0.283	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	123.7	-177.3	-178.7	-44.8	0	0	0	108.3	V392 V396 K397 L398	V392-D394 VanDerWaalsContact C-N 3.32Å; D394-V396 VanDerWaalsContact C-N 3.32Å; D394-V396 PolarHBondContact O-N 3.43Å; D394-V396 WeakPolarHBondContact OD1-CA 3.21Å; D394-V396 WeakPolarHBondContact OD1-CB 3.09Å; D394-V396 PolarHBondContact OD1-N 3.46Å; D394-K397 HydrophobicContact CB-CB 4.14Å; D394-K397 PolarHBondContact OD1-N 2.79Å; D394-L398 WeakPolarHBondContact O-CA 3.25Å; D394-L398 PolarHBondContact O-N 2.65Å
395	R	94.6	Very high	97.3	Very high	108 Å²	108	37 Å²	37	41%	0.408	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.4	-177	-67.3	-175.9	178.3	-179.4	-3.6	114.5	K371 H374 P375 I377 V392 L398	K371-R395 PolarHBondContact O-NH2 2.91Å; H374-R395 PolarHBondContact O-NH2 3.04Å; P375-R395 PolarHBondContact O-NE 2.9Å; P375-R395 VanDerWaalsContact O-NE 3.13Å; I377-R395 PolarHBondContact O-NE 3.37Å; I377-R395 PolarHBondContact O-NH2 2.97Å; V392-R395 HydrophobicContact CG2-CG 4Å; R395-L398 WeakPolarHBondContact O-CD2 3.46Å
396	V	92.9	Very high	97.3	Very high	127 Å²	127	40.1 Å²	40.1	77%	0.77	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-49.8	175.1	-179.6	0	0	0	0	109.6	D394 L398	D394-V396 VanDerWaalsContact C-N 3.32Å; D394-V396 PolarHBondContact O-N 3.43Å; D394-V396 WeakPolarHBondContact OD1-CA 3.21Å; D394-V396 WeakPolarHBondContact OD1-CB 3.09Å; D394-V396 PolarHBondContact OD1-N 3.46Å; V396-L398 VanDerWaalsContact C-N 3.27Å; V396-L398 PolarHBondContact O-N 3.48Å
397	K	94.8	Very high	97.2	Very high	150 Å²	150	44 Å²	44	65%	0.652	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.1	179.5	-63.3	177.4	-176.1	167.3	0	112.9	D394 T399	D394-K397 HydrophobicContact CB-CB 4.14Å; D394-K397 PolarHBondContact OD1-N 2.79Å; K397-T399 PolarHBondContact O-N 2.92Å
398	L	96.7	Very high	97.2	Very high	9 Å²	9	44 Å²	44	5%	0.047	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	30.9	-173.8	-45.1	-175.8	0	0	0	112.1	Y194 R195 D394 R395 V396 P400	Y194-L398 HydrophobicContact CE1-CD1 4.44Å; Y194-L398 HydrophobicContact CE1-CD2 4.38Å; Y194-L398 HydrophobicContact CE2-CD1 4.48Å; Y194-L398 HydrophobicContact CE2-CD2 3.88Å; Y194-L398 VanDerWaalsContact O-CD1 3.29Å; Y194-L398 WeakPolarHBondContact O-CD1 3.43Å; Y194-L398 WeakPolarHBondContact OH-CD2 3.22Å; R195-L398 PolarHBondContact NH1-O 2.94Å; R195-L398 PolarHBondContact NH2-O 2.98Å; D394-L398 WeakPolarHBondContact O-CA 3.25Å; D394-L398 PolarHBondContact O-N 2.65Å; R395-L398 WeakPolarHBondContact O-CD2 3.46Å; V396-L398 VanDerWaalsContact C-N 3.27Å; V396-L398 PolarHBondContact O-N 3.48Å; L398-P400 WeakPolarHBondContact O-CD 3.11Å
399	T	97.3	Very high	97.1	Very high	62 Å²	62	44.4 Å²	44.4	38%	0.38	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	121.5	-178.1	-55.9	0	0	0	0	109.8	V392 K393 K397 A401	V392-T399 CarbonylContact C-O 3.17Å; V392-T399 WeakPolarHBondContact CA-O 3.34Å; V392-T399 WeakPolarHBondContact CB-O 3.27Å; K393-T399 HydrophobicContact CD-CG2 4.45Å; K393-T399 PolarHBondContact N-O 2.95Å; K397-T399 PolarHBondContact O-N 2.92Å; T399-A401 PolarHBondContact O-N 3.25Å
400	P	98.2	Very high	97.1	Very high	31 Å²	31	47.2 Å²	47.2	20%	0.201	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	133.3	-175.3	-26.1	35.2	0	0	0	113.2	K393 L398 T402 H425 N427	K393-P400 WeakPolarHBondContact CE-O 3.25Å; L398-P400 WeakPolarHBondContact O-CD 3.11Å; P400-T402 VanDerWaalsContact C-N 3.32Å; P400-T402 PolarHBondContact O-N 3.31Å; P400-H425 HydrophobicContact CB-CB 3.66Å; P400-H425 HydrophobicContact CG-CB 3.78Å; P400-N427 HydrophobicContact CB-CB 4.14Å
401	A	98.1	Very high	97	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.			trans	-94.2	60.2	174.3	0	0	0	0	0	110.8	L376 L391 K393 T399 E404 A405	L376-A401 HydrophobicContact CD2-CB 4.23Å; L391-A401 HydrophobicContact CB-CB 3.82Å; L391-A401 PolarHBondContact O-N 3.21Å; K393-A401 HydrophobicContact CG-CB 3.93Å; T399-A401 PolarHBondContact O-N 3.25Å; A401-E404 WeakPolarHBondContact CA-OE2 3.43Å; A401-E404 HydrophobicContact CB-CB 3.98Å; A401-E404 HydrophobicContact CB-CG 4.18Å; A401-E404 WeakPolarHBondContact CB-OE2 3.39Å; A401-A405 WeakPolarHBondContact O-CB 3.32Å; A401-A405 PolarHBondContact O-N 2.9Å
402	T	98.1	Very high	97	Very high	52 Å²	52	49.2 Å²	49.2	32%	0.319	25%	0.252	S	S	.	.	H	α-helix	trans	-63.6	-45	-173.4	-55.4	0	0	0	0	112.9	P400 A405 Q406 H425 R426	P400-T402 VanDerWaalsContact C-N 3.32Å; P400-T402 PolarHBondContact O-N 3.31Å; T402-A405 PolarHBondContact O-N 3.1Å; T402-Q406 WeakPolarHBondContact O-CG 3.44Å; T402-Q406 PolarHBondContact O-N 3.15Å; T402-H425 WeakPolarHBondContact CB-O 3.12Å; T402-H425 WeakPolarHBondContact CG2-O 3.22Å; T402-H425 PolarHBondContact OG1-O 3.13Å; T402-R426 HydrophobicContact CG2-CB 4.23Å
403	A	97.6	Very high	97	Very high	69 Å²	69	49.8 Å²	49.8	57%	0.57	25%	0.254	S	S	*	.	H	α-helix	trans	-68.3	-41.3	-178.4	0	0	0	0	0	110.5	Q406 E407	A403-Q406 PolarHBondContact O-N 3.36Å; A403-E407 PolarHBondContact O-N 2.84Å
404	E	98.3	Very high	97	Very high	14 Å²	14	51.4 Å²	51.4	7%	0.065	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-42.4	177.3	-58.8	80	175.6	0	0	110.8	L376 K393 A401 Q406 E407 V408 L460	L376-E404 HydrophobicContact CD2-CG 4.31Å; K393-E404 VanDerWaalsContact CE-OE1 3.22Å; K393-E404 WeakPolarHBondContact CE-OE1 3.43Å; K393-E404 IonicContact NZ-OE1 2.74Å; K393-E404 PolarHBondContact NZ-OE1 2.88Å; K393-E404 IonicContact NZ-OE2 2.6Å; K393-E404 PolarHBondContact NZ-OE2 2.83Å; A401-E404 WeakPolarHBondContact CA-OE2 3.43Å; A401-E404 HydrophobicContact CB-CB 3.98Å; A401-E404 HydrophobicContact CB-CG 4.18Å; A401-E404 WeakPolarHBondContact CB-OE2 3.39Å; E404-Q406 VanDerWaalsContact C-N 3.33Å; E404-Q406 PolarHBondContact O-N 2.99Å; E404-E407 PolarHBondContact O-N 3.18Å; E404-V408 VanDerWaalsContact O-CG2 3.29Å; E404-V408 WeakPolarHBondContact O-CG2 3.23Å; E404-V408 PolarHBondContact O-N 2.81Å; E404-L460 HydrophobicContact CG-CD1 3.87Å
405	A	98.4	Very high	97.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-39	174.7	0	0	0	0	0	112.8	L391 A401 T402 I409 L429	L391-A405 HydrophobicContact CD1-CB 4Å; A401-A405 WeakPolarHBondContact O-CB 3.32Å; A401-A405 PolarHBondContact O-N 2.9Å; T402-A405 PolarHBondContact O-N 3.1Å; A405-I409 WeakPolarHBondContact O-CD1 3.46Å; A405-I409 VanDerWaalsContact O-CG1 3.3Å; A405-I409 WeakPolarHBondContact O-CG1 3.23Å; A405-I409 PolarHBondContact O-N 3.16Å; A405-I409 VanDerWaalsContact O-N 3.13Å; A405-L429 HydrophobicContact CB-CD2 4.14Å
406	Q	97.1	Very high	97.4	Very high	66 Å²	66	51.3 Å²	51.3	31%	0.308	27%	0.266	S	S	.	.	H	α-helix	trans	-66	-44	174.5	-64.8	-53	-64.8	0	0	111.4	T402 A403 E404 V408 I409 Y410	T402-Q406 WeakPolarHBondContact O-CG 3.44Å; T402-Q406 PolarHBondContact O-N 3.15Å; A403-Q406 PolarHBondContact O-N 3.36Å; E404-Q406 VanDerWaalsContact C-N 3.33Å; E404-Q406 PolarHBondContact O-N 2.99Å; Q406-V408 PolarHBondContact O-N 2.93Å; Q406-I409 WeakPolarHBondContact O-CB 3.38Å; Q406-I409 PolarHBondContact O-N 3.29Å; Q406-I409 VanDerWaalsContact O-N 3.16Å; Q406-Y410 WeakPolarHBondContact O-CD2 3.44Å; Q406-Y410 PolarHBondContact O-N 3.48Å
407	E	97.2	Very high	97.6	Very high	82 Å²	82	45.3 Å²	45.3	38%	0.383	23%	0.229	S	C	.	.	H	α-helix	trans	-61.6	-43.7	178.6	-172.3	58.2	-159.6	0	0	111.7	A403 E404 I409 Y410 K411 L456	A403-E407 PolarHBondContact O-N 2.84Å; E404-E407 PolarHBondContact O-N 3.18Å; E407-I409 VanDerWaalsContact C-N 3.31Å; E407-I409 PolarHBondContact O-N 3.04Å; E407-Y410 PolarHBondContact O-N 3.48Å; E407-K411 HydrophobicContact CG-CD 4.31Å; E407-K411 PolarHBondContact O-N 2.99Å; E407-K411 WeakPolarHBondContact OE1-CE 3.33Å; E407-L456 HydrophobicContact CB-CD1 4.47Å; E407-L456 HydrophobicContact CB-CD2 4.36Å; E407-L456 HydrophobicContact CG-CD1 4.34Å; E407-L456 HydrophobicContact CG-CD2 3.67Å
408	V	98.3	Very high	97.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-56.5	-45.4	173	171.2	0	0	0	0	111.1	L391 E404 Q406 Y410 K411 L412 L429 L449 I452 L453 L456	L391-V408 HydrophobicContact CD1-CG2 4.19Å; E404-V408 VanDerWaalsContact O-CG2 3.29Å; E404-V408 WeakPolarHBondContact O-CG2 3.23Å; E404-V408 PolarHBondContact O-N 2.81Å; Q406-V408 PolarHBondContact O-N 2.93Å; V408-Y410 PolarHBondContact O-N 3.28Å; V408-K411 PolarHBondContact O-N 3.49Å; V408-L412 HydrophobicContact CG1-CD1 3.81Å; V408-L412 HydrophobicContact CG1-CG 4.24Å; V408-L412 VanDerWaalsContact O-CB 3.29Å; V408-L412 WeakPolarHBondContact O-CB 3.45Å; V408-L412 VanDerWaalsContact O-CG 3.28Å; V408-L412 WeakPolarHBondContact O-CG 3.5Å; V408-L412 PolarHBondContact O-N 2.91Å; V408-L429 HydrophobicContact CG1-CD1 3.78Å; V408-L429 HydrophobicContact CG1-CD2 4.33Å; V408-L449 HydrophobicContact CG1-CD1 3.53Å; V408-I452 HydrophobicContact CB-CG2 4.38Å; V408-I452 HydrophobicContact CG1-CG2 4.46Å; V408-I452 HydrophobicContact CG2-CG2 4.01Å; V408-L453 HydrophobicContact CG2-CD2 3.89Å; V408-L456 HydrophobicContact CG2-CD1 3.55Å
409	I	97.8	Very high	97.8	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.041	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-41.2	179	-74.8	163	0	0	0	111.9	F45 A405 Q406 E407 K413 S420 A421 L429	F45-I409 HydrophobicContact CD1-CG2 4.47Å; F45-I409 HydrophobicContact CE1-CG2 3.61Å; F45-I409 HydrophobicContact CZ-CG2 4.32Å; A405-I409 WeakPolarHBondContact O-CD1 3.46Å; A405-I409 VanDerWaalsContact O-CG1 3.3Å; A405-I409 WeakPolarHBondContact O-CG1 3.23Å; A405-I409 PolarHBondContact O-N 3.16Å; A405-I409 VanDerWaalsContact O-N 3.13Å; Q406-I409 WeakPolarHBondContact O-CB 3.38Å; Q406-I409 PolarHBondContact O-N 3.29Å; Q406-I409 VanDerWaalsContact O-N 3.16Å; E407-I409 VanDerWaalsContact C-N 3.31Å; E407-I409 PolarHBondContact O-N 3.04Å; I409-K413 WeakPolarHBondContact O-CB 3.35Å; I409-K413 PolarHBondContact O-N 2.99Å; I409-S420 VanDerWaalsContact CD1-C 3.46Å; I409-A421 HydrophobicContact CD1-CB 3.44Å; I409-A421 VanDerWaalsContact CD1-CB 3.44Å; I409-A421 VanDerWaalsContact CD1-N 3.26Å; I409-L429 HydrophobicContact CD1-CD2 3.97Å; I409-L429 HydrophobicContact CG1-CD2 3.86Å
410	Y	97.1	Very high	97.7	Very high	60 Å²	60	35.6 Å²	35.6	24%	0.235	18%	0.183	C	C	.	.	H	α-helix	trans	-67.4	-47.5	177.8	-83.4	-71.7	0	0	0	111.9	F45 H47 Q406 E407 V408 L412 K413 E414	F45-Y410 HydrophobicContact CB-CE1 4.24Å; F45-Y410 HydrophobicContact CD1-CD1 4.1Å; F45-Y410 AromaticContact CD1-CE1 3.96Å; F45-Y410 HydrophobicContact CD1-CE1 3.96Å; H47-Y410 PolarHBondContact ND1-OH 3.35Å; Q406-Y410 WeakPolarHBondContact O-CD2 3.44Å; Q406-Y410 PolarHBondContact O-N 3.48Å; E407-Y410 PolarHBondContact O-N 3.48Å; V408-Y410 PolarHBondContact O-N 3.28Å; Y410-L412 PolarHBondContact O-N 3.29Å; Y410-K413 WeakPolarHBondContact O-CB 3.38Å; Y410-K413 PolarHBondContact O-N 3.35Å; Y410-E414 PolarHBondContact O-N 2.87Å; Y410-E414 VanDerWaalsContact O-N 3.08Å
411	K	97.8	Very high	97.5	Very high	46 Å²	46	34.9 Å²	34.9	20%	0.2	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-39.8	176.7	-74.6	177.4	170.8	-95.9	0	112.2	E407 V408 K413 E414 Q415 I452 E455	E407-K411 HydrophobicContact CG-CD 4.31Å; E407-K411 PolarHBondContact O-N 2.99Å; E407-K411 WeakPolarHBondContact OE1-CE 3.33Å; V408-K411 PolarHBondContact O-N 3.49Å; K411-K413 VanDerWaalsContact C-N 3.32Å; K411-K413 PolarHBondContact O-N 3.42Å; K411-E414 WeakPolarHBondContact O-CB 3.19Å; K411-E414 PolarHBondContact O-N 3.37Å; K411-Q415 WeakPolarHBondContact O-CG 3.07Å; K411-Q415 PolarHBondContact O-N 3.26Å; K411-I452 HydrophobicContact CB-CD1 3.6Å; K411-I452 HydrophobicContact CB-CG1 3.91Å; K411-I452 HydrophobicContact CB-CG2 3.99Å; K411-I452 HydrophobicContact CD-CG1 4.34Å; K411-I452 HydrophobicContact CD-CG2 3.76Å; K411-E455 IonicContact NZ-OE2 2.68Å; K411-E455 PolarHBondContact NZ-OE2 3.29Å
412	L	98.1	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-40.5	174	-79.7	175	0	0	0	112	V408 Y410 E414 Q415 H416 V417 L419 K448 L449 I452	V408-L412 HydrophobicContact CG1-CD1 3.81Å; V408-L412 HydrophobicContact CG1-CG 4.24Å; V408-L412 VanDerWaalsContact O-CB 3.29Å; V408-L412 WeakPolarHBondContact O-CB 3.45Å; V408-L412 VanDerWaalsContact O-CG 3.28Å; V408-L412 WeakPolarHBondContact O-CG 3.5Å; V408-L412 PolarHBondContact O-N 2.91Å; Y410-L412 PolarHBondContact O-N 3.29Å; L412-E414 VanDerWaalsContact C-N 3.31Å; L412-E414 PolarHBondContact O-N 2.68Å; L412-Q415 CarbonylContact O-C 3.59Å; L412-Q415 VanDerWaalsContact O-C 3.22Å; L412-Q415 WeakPolarHBondContact O-CA 3.46Å; L412-Q415 PolarHBondContact O-N 3Å; L412-H416 PolarHBondContact O-N 3.42Å; L412-H416 VanDerWaalsContact O-N 3.11Å; L412-V417 CarbonylContact C-O 3.48Å; L412-V417 HydrophobicContact CB-CB 4.27Å; L412-V417 HydrophobicContact CD2-CB 4.26Å; L412-V417 HydrophobicContact CD2-CG1 4.43Å; L412-V417 PolarHBondContact O-N 3.03Å; L412-L419 HydrophobicContact CD1-CB 4.32Å; L412-L419 HydrophobicContact CD1-CD2 3.93Å; L412-K448 HydrophobicContact CD2-CB 3.88Å; L412-L449 HydrophobicContact CD1-CD1 4.34Å; L412-L449 HydrophobicContact CD2-CB 4.43Å; L412-I452 HydrophobicContact CD2-CD1 3.86Å; L412-I452 HydrophobicContact CG-CD1 3.96Å
413	K	97.8	Very high	97.1	Very high	12 Å²	12	33.1 Å²	33.1	5%	0.052	17%	0.168	C	C	.	.	H	α-helix	trans	-60	-42.2	174.2	164.6	-172.1	166.3	-133.2	0	111.6	F45 D48 I50 I409 Y410 K411 Q415 H416 V417	F45-K413 HydrophobicContact CB-CD 4.09Å; F45-K413 HydrophobicContact CD1-CB 4.37Å; F45-K413 HydrophobicContact CD1-CD 3.36Å; F45-K413 HydrophobicContact CD1-CG 4.41Å; F45-K413 HydrophobicContact CD2-CD 3.8Å; F45-K413 HydrophobicContact CE1-CB 3.75Å; F45-K413 HydrophobicContact CE1-CD 3.57Å; F45-K413 HydrophobicContact CE1-CG 4.16Å; F45-K413 HydrophobicContact CE2-CD 4.02Å; F45-K413 HydrophobicContact CG-CD 3.47Å; F45-K413 VanDerWaalsContact CG-CD 3.47Å; F45-K413 HydrophobicContact CZ-CB 3.98Å; F45-K413 HydrophobicContact CZ-CD 3.91Å; F45-K413 HydrophobicContact CZ-CG 4.26Å; D48-K413 WeakPolarHBondContact O-CE 3.44Å; D48-K413 PolarHBondContact O-NZ 3.18Å; D48-K413 IonicContact OD2-NZ 3.02Å; D48-K413 PolarHBondContact OD2-NZ 3.19Å; I50-K413 HydrophobicContact CD1-CD 3.74Å; I50-K413 HydrophobicContact CD1-CG 3.81Å; I50-K413 HydrophobicContact CG1-CD 4.03Å; I409-K413 WeakPolarHBondContact O-CB 3.35Å; I409-K413 PolarHBondContact O-N 2.99Å; Y410-K413 WeakPolarHBondContact O-CB 3.38Å; Y410-K413 PolarHBondContact O-N 3.35Å; K411-K413 VanDerWaalsContact C-N 3.32Å; K411-K413 PolarHBondContact O-N 3.42Å; K413-Q415 PolarHBondContact O-N 3Å; K413-H416 WeakPolarHBondContact O-CA 3.38Å; K413-H416 PolarHBondContact O-N 2.98Å; K413-V417 WeakPolarHBondContact CA-O 3.46Å; K413-V417 PolarHBondContact N-O 3.48Å
414	E	97.3	Very high	96.9	Very high	131 Å²	131	32.6 Å²	32.6	61%	0.612	16%	0.158	S	C	*	.	H	α-helix	trans	-62	-32	175.7	-67.8	175.6	170.7	0	0	111.5	Y410 K411 L412 H416	Y410-E414 PolarHBondContact O-N 2.87Å; Y410-E414 VanDerWaalsContact O-N 3.08Å; K411-E414 WeakPolarHBondContact O-CB 3.19Å; K411-E414 PolarHBondContact O-N 3.37Å; L412-E414 VanDerWaalsContact C-N 3.31Å; L412-E414 PolarHBondContact O-N 2.68Å; E414-H416 PolarHBondContact O-N 3.06Å
415	Q	97.8	Very high	96.8	Very high	91 Å²	91	35.7 Å²	35.7	43%	0.425	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	14.5	170.7	-58.2	-57.1	-50	0	0	113.8	K411 L412 K413 V417 K448	K411-Q415 WeakPolarHBondContact O-CG 3.07Å; K411-Q415 PolarHBondContact O-N 3.26Å; L412-Q415 CarbonylContact O-C 3.59Å; L412-Q415 VanDerWaalsContact O-C 3.22Å; L412-Q415 WeakPolarHBondContact O-CA 3.46Å; L412-Q415 PolarHBondContact O-N 3Å; K413-Q415 PolarHBondContact O-N 3Å; Q415-V417 VanDerWaalsContact C-N 3.32Å; Q415-V417 PolarHBondContact O-N 3.31Å; Q415-K448 HydrophobicContact CB-CB 4.1Å; Q415-K448 HydrophobicContact CB-CD 4.11Å; Q415-K448 HydrophobicContact CB-CG 3.92Å; Q415-K448 HydrophobicContact CG-CB 4.48Å; Q415-K448 HydrophobicContact CG-CD 4.39Å
416	H	98	Very high	96.7	Very high	68 Å²	68	42 Å²	42	32%	0.315	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	28.6	177.3	-43.5	-59.8	0	0	0	115.8	Q66 R67 Y68 L69 L412 K413 E414	Q66-H416 VanDerWaalsContact CG-CE1 3.49Å; Q66-H416 WeakPolarHBondContact CG-CE1 3.33Å; Q66-H416 WeakPolarHBondContact CG-ND1 3.38Å; Q66-H416 PolarHBondContact NE2-CD2 2.88Å; Q66-H416 VanDerWaalsContact NE2-CD2 3.28Å; Q66-H416 PolarHBondContact NE2-NE2 3.35Å; R67-H416 VanDerWaalsContact O-CB 3.32Å; R67-H416 WeakPolarHBondContact O-CB 3.37Å; Y68-H416 CarbonylContact C-O 3.22Å; Y68-H416 VanDerWaalsContact CA-O 3.23Å; Y68-H416 WeakPolarHBondContact CA-O 3.42Å; Y68-H416 HydrophobicContact CD1-CB 3.94Å; Y68-H416 HydrophobicContact CE1-CB 4.19Å; Y68-H416 AromaticContact CE1-ND1 3.68Å; Y68-H416 HydrophobicContact CG-CB 4.41Å; Y68-H416 AromaticContact CZ-ND1 3.78Å; L69-H416 PolarHBondContact N-O 3.43Å; L412-H416 PolarHBondContact O-N 3.42Å; L412-H416 VanDerWaalsContact O-N 3.11Å; K413-H416 WeakPolarHBondContact O-CA 3.38Å; K413-H416 PolarHBondContact O-N 2.98Å; E414-H416 PolarHBondContact O-N 3.06Å
417	V	98.5	Very high	96.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.5	171.3	178.4	0	0	0	0	108.9	L69 L412 K413 Q415 V445 K448	L69-V417 HydrophobicContact CB-CG2 4.5Å; L412-V417 CarbonylContact C-O 3.48Å; L412-V417 HydrophobicContact CB-CB 4.27Å; L412-V417 HydrophobicContact CD2-CB 4.26Å; L412-V417 HydrophobicContact CD2-CG1 4.43Å; L412-V417 PolarHBondContact O-N 3.03Å; K413-V417 WeakPolarHBondContact CA-O 3.46Å; K413-V417 PolarHBondContact N-O 3.48Å; Q415-V417 VanDerWaalsContact C-N 3.32Å; Q415-V417 PolarHBondContact O-N 3.31Å; V417-V445 HydrophobicContact CG1-CG2 4.06Å; V417-K448 HydrophobicContact CG2-CG 4.38Å
418	L	98.4	Very high	96.8	Very high	8 Å²	8	35 Å²	35	4%	0.042	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.2	179.6	-56.3	-179.1	0	0	0	109.9	F45 I50 M60 Y68 L69 C71 I72	F45-L418 HydrophobicContact CE2-CD2 4.09Å; F45-L418 HydrophobicContact CZ-CD2 4.22Å; I50-L418 HydrophobicContact CD1-CD2 3.33Å; M60-L418 HydrophobicContact SD-CD1 3.87Å; Y68-L418 HydrophobicContact CD1-CD2 3.63Å; Y68-L418 HydrophobicContact CD1-CG 4.05Å; Y68-L418 HydrophobicContact CE1-CD2 4.28Å; Y68-L418 HydrophobicContact CG-CD1 4.39Å; Y68-L418 HydrophobicContact CG-CD2 4.31Å; Y68-L418 HydrophobicContact CG-CG 4.33Å; L69-L418 PolarHBondContact O-N 2.97Å; C71-L418 WeakPolarHBondContact CA-O 3.48Å; C71-L418 WeakPolarHBondContact CB-O 3.23Å; C71-L418 PolarHBondContact N-O 2.99Å; I72-L418 HydrophobicContact CD1-CB 3.98Å; I72-L418 HydrophobicContact CG1-CB 4.39Å
419	L	95.9	Very high	96.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.165	C	C	.	.			trans	-133.4	166.2	175	-154.6	67.7	0	0	0	110.1	C71 I72 L412 L429 K430 F431	C71-L419 HydrophobicContact CB-CD1 3.36Å; I72-L419 WeakPolarHBondContact CD1-O 3.48Å; L412-L419 HydrophobicContact CD1-CB 4.32Å; L412-L419 HydrophobicContact CD1-CD2 3.93Å; L419-L429 HydrophobicContact CD2-CB 3.82Å; L419-L429 HydrophobicContact CD2-CD1 4.35Å; L419-L429 HydrophobicContact CD2-CD2 4.43Å; L419-L429 HydrophobicContact CD2-CG 4.44Å; L419-K430 WeakPolarHBondContact CD1-O 3.35Å; L419-F431 HydrophobicContact CD1-CD1 3.56Å; L419-F431 HydrophobicContact CD1-CD2 4.42Å; L419-F431 HydrophobicContact CD1-CE1 3.5Å; L419-F431 VanDerWaalsContact CD1-CE1 3.5Å; L419-F431 HydrophobicContact CD1-CE2 4.39Å; L419-F431 HydrophobicContact CD1-CG 4.03Å; L419-F431 HydrophobicContact CD1-CZ 3.97Å; L419-F431 HydrophobicContact CD2-CE1 3.89Å; L419-F431 HydrophobicContact CD2-CE2 4.07Å; L419-F431 HydrophobicContact CD2-CZ 3.57Å; L419-F431 HydrophobicContact CG-CE1 4.38Å; L419-F431 HydrophobicContact CG-CZ 4.45Å
420	S	95.1	Very high	96.8	Very high	8 Å²	8	35.4 Å²	35.4	6%	0.056	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	163.8	175.2	58.2	0	0	0	0	110.2	I409 K430	I409-S420 VanDerWaalsContact CD1-C 3.46Å; S420-K430 PolarHBondContact O-N 3.34Å; S420-K430 WeakPolarHBondContact OG-CE 3.37Å
421	A	95.6	Very high	96.8	Very high	15 Å²	15	32.6 Å²	32.6	12%	0.124	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.2	174.1	0	0	0	0	0	111.5	I409 R426 V428	I409-A421 HydrophobicContact CD1-CB 3.44Å; I409-A421 VanDerWaalsContact CD1-CB 3.44Å; I409-A421 VanDerWaalsContact CD1-N 3.26Å; A421-R426 WeakPolarHBondContact CB-O 3.4Å; A421-V428 CarbonylContact C-O 3.58Å; A421-V428 WeakPolarHBondContact CA-O 3.27Å
422	D	94.1	Very high	96.8	Very high	15 Å²	15	31.1 Å²	31.1	8%	0.08	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-162.2	173.2	-81.1	16.8	0	0	0	109.6	R426 N427 V428 K430	D422-R426 CarbonylContact O-C 3.59Å; D422-R426 VanDerWaalsContact O-CA 3.26Å; D422-R426 WeakPolarHBondContact O-CA 3.4Å; D422-N427 PolarHBondContact O-N 3.14Å; D422-V428 PolarHBondContact N-O 3.26Å; D422-V428 PolarHBondContact O-N 2.88Å; D422-K430 HydrophobicContact CB-CD 4.22Å; D422-K430 IonicContact OD1-NZ 3.15Å; D422-K430 PolarHBondContact OD1-NZ 3.02Å; D422-K430 WeakPolarHBondContact OD2-CD 3.4Å; D422-K430 WeakPolarHBondContact OD2-CE 3.12Å; D422-K430 IonicContact OD2-NZ 3.27Å; D422-K430 PolarHBondContact OD2-NZ 3.35Å
423	G	93.8	Very high	96.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	86.6	154.5	-170.3	0	0	0	0	0	111	C238 H425 R426	C238-G423 WeakPolarHBondContact O-CA 3.41Å; C238-G423 PolarHBondContact O-N 2.75Å; G423-H425 PolarHBondContact O-N 2.87Å; G423-R426 PolarHBondContact O-N 3.23Å
424	P	93.1	Very high	96.8	Very high	58 Å²	58	30.6 Å²	30.6	38%	0.377	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.3	179	21.7	-32.6	0	0	0	113
425	H	95.8	Very high	96.9	Very high	79 Å²	79	24.4 Å²	24.4	37%	0.366	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	5.6	178.3	-46.2	-61.1	0	0	0	114	P400 T402 G423 N427	P400-H425 HydrophobicContact CB-CB 3.66Å; P400-H425 HydrophobicContact CG-CB 3.78Å; T402-H425 WeakPolarHBondContact CB-O 3.12Å; T402-H425 WeakPolarHBondContact CG2-O 3.22Å; T402-H425 PolarHBondContact OG1-O 3.13Å; G423-H425 PolarHBondContact O-N 2.87Å; H425-N427 WeakPolarHBondContact CB-OD1 3.15Å; H425-N427 PolarHBondContact O-N 3.46Å
426	R	96.3	Very high	97	Very high	132 Å²	132	21.3 Å²	21.3	50%	0.498	11%	0.105	S	C	.	.	S	Bend	trans	52.7	36.2	-179.4	-56.8	-172.1	178.7	-154.8	3.6	114.6	T402 A421 D422 G423	T402-R426 HydrophobicContact CG2-CB 4.23Å; A421-R426 WeakPolarHBondContact CB-O 3.4Å; D422-R426 CarbonylContact O-C 3.59Å; D422-R426 VanDerWaalsContact O-CA 3.26Å; D422-R426 WeakPolarHBondContact O-CA 3.4Å; G423-R426 PolarHBondContact O-N 3.23Å
427	N	98.4	Very high	97	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.09	C	C	.	.			trans	-115	6	-178.4	68.3	-50	0	0	0	113.1	E390 L391 P400 D422 H425	E390-N427 VanDerWaalsContact CG-ND2 3.31Å; E390-N427 WeakPolarHBondContact CG-ND2 3.26Å; E390-N427 PolarHBondContact OE1-ND2 2.77Å; E390-N427 VanDerWaalsContact OE1-ND2 3.17Å; L391-N427 PolarHBondContact N-O 3Å; L391-N427 PolarHBondContact O-ND2 3.23Å; P400-N427 HydrophobicContact CB-CB 4.14Å; D422-N427 PolarHBondContact O-N 3.14Å; H425-N427 WeakPolarHBondContact CB-OD1 3.15Å; H425-N427 PolarHBondContact O-N 3.46Å
428	V	98.6	Very high	97	Very high	2 Å²	2	20 Å²	20	1%	0.012	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	103.7	179.1	-172.8	0	0	0	0	109.2	Q241 V389 E390 A421 D422 K430	Q241-V428 HydrophobicContact CG-CG1 4.28Å; V389-V428 CarbonylContact O-C 3.51Å; V389-V428 WeakPolarHBondContact O-CA 3.23Å; E390-V428 HydrophobicContact CB-CG2 4.1Å; E390-V428 HydrophobicContact CG-CG2 3.94Å; A421-V428 CarbonylContact C-O 3.58Å; A421-V428 WeakPolarHBondContact CA-O 3.27Å; D422-V428 PolarHBondContact N-O 3.26Å; D422-V428 PolarHBondContact O-N 2.88Å; V428-K430 PolarHBondContact O-N 3.41Å
429	L	98.6	Very high	97	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	128.5	171.8	-55.3	-178.7	0	0	0	109	G388 V389 L391 A405 V408 I409 L419 F431 L449	G388-L429 CarbonylContact C-O 3.57Å; G388-L429 WeakPolarHBondContact CA-O 3.44Å; V389-L429 HydrophobicContact CB-CB 4.22Å; V389-L429 PolarHBondContact N-O 3.37Å; V389-L429 PolarHBondContact O-N 2.88Å; L391-L429 HydrophobicContact CD1-CD1 4.11Å; L391-L429 HydrophobicContact CD1-CD2 4.5Å; L391-L429 HydrophobicContact CD1-CG 4.21Å; L391-L429 HydrophobicContact CD2-CD1 4.42Å; L391-L429 HydrophobicContact CG-CD1 4.35Å; L391-L429 HydrophobicContact CG-CG 4.27Å; A405-L429 HydrophobicContact CB-CD2 4.14Å; V408-L429 HydrophobicContact CG1-CD1 3.78Å; V408-L429 HydrophobicContact CG1-CD2 4.33Å; I409-L429 HydrophobicContact CD1-CD2 3.97Å; I409-L429 HydrophobicContact CG1-CD2 3.86Å; L419-L429 HydrophobicContact CD2-CB 3.82Å; L419-L429 HydrophobicContact CD2-CD1 4.35Å; L419-L429 HydrophobicContact CD2-CD2 4.43Å; L419-L429 HydrophobicContact CD2-CG 4.44Å; L429-F431 HydrophobicContact CB-CE2 4.39Å; L429-L449 HydrophobicContact CD1-CD1 4.38Å
430	K	96.6	Very high	97.2	Very high	15 Å²	15	27.7 Å²	27.7	7%	0.065	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119	-166.7	175.3	179.1	63	-177.6	0	111.9	Q241 L419 S420 D422 V428 K432	Q241-K430 HydrophobicContact CG-CG 4.25Å; L419-K430 WeakPolarHBondContact CD1-O 3.35Å; S420-K430 PolarHBondContact O-N 3.34Å; S420-K430 WeakPolarHBondContact OG-CE 3.37Å; D422-K430 HydrophobicContact CB-CD 4.22Å; D422-K430 IonicContact OD1-NZ 3.15Å; D422-K430 PolarHBondContact OD1-NZ 3.02Å; D422-K430 WeakPolarHBondContact OD2-CD 3.4Å; D422-K430 WeakPolarHBondContact OD2-CE 3.12Å; D422-K430 IonicContact OD2-NZ 3.27Å; D422-K430 PolarHBondContact OD2-NZ 3.35Å; V428-K430 PolarHBondContact O-N 3.41Å; K430-K432 HydrophobicContact CD-CD 3.84Å; K430-K432 VanDerWaalsContact CD-CE 3.49Å; K430-K432 HydrophobicContact CD-CG 4.45Å; K430-K432 HydrophobicContact CG-CD 4.11Å; K430-K432 HydrophobicContact CG-CG 4.23Å
431	F	97.1	Very high	97.3	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	110.2	175.7	-61.3	-89.4	0	0	0	110	C71 L363 L367 F386 V387 V389 L419 L429 V445	C71-F431 HydrophobicContact CB-CD1 4.15Å; L363-F431 HydrophobicContact CD2-CB 4.13Å; L363-F431 HydrophobicContact CD2-CD1 4.41Å; L363-F431 HydrophobicContact CD2-CG 4.3Å; L367-F431 HydrophobicContact CD1-CD2 4.43Å; L367-F431 HydrophobicContact CD1-CE2 4.26Å; F386-F431 WeakPolarHBondContact CA-O 3.35Å; V387-F431 HydrophobicContact CB-CB 4.13Å; V387-F431 PolarHBondContact N-O 2.98Å; V387-F431 PolarHBondContact O-N 3.26Å; V389-F431 HydrophobicContact CB-CE2 4.4Å; V389-F431 HydrophobicContact CG2-CD2 4.21Å; V389-F431 HydrophobicContact CG2-CE2 3.65Å; L419-F431 HydrophobicContact CD1-CD1 3.56Å; L419-F431 HydrophobicContact CD1-CD2 4.42Å; L419-F431 HydrophobicContact CD1-CE1 3.5Å; L419-F431 VanDerWaalsContact CD1-CE1 3.5Å; L419-F431 HydrophobicContact CD1-CE2 4.39Å; L419-F431 HydrophobicContact CD1-CG 4.03Å; L419-F431 HydrophobicContact CD1-CZ 3.97Å; L419-F431 HydrophobicContact CD2-CE1 3.89Å; L419-F431 HydrophobicContact CD2-CE2 4.07Å; L419-F431 HydrophobicContact CD2-CZ 3.57Å; L419-F431 HydrophobicContact CG-CE1 4.38Å; L419-F431 HydrophobicContact CG-CZ 4.45Å; L429-F431 HydrophobicContact CB-CE2 4.39Å; F431-V445 HydrophobicContact CE1-CG1 3.48Å; F431-V445 VanDerWaalsContact CE1-CG1 3.48Å; F431-V445 HydrophobicContact CE1-CG2 4.4Å; F431-V445 HydrophobicContact CZ-CG1 3.93Å
432	K	97.1	Very high	97.5	Very high	15 Å²	15	26.6 Å²	26.6	7%	0.065	13%	0.133	C	C	.	.			trans	-143.6	59.9	171.5	61.2	-176.3	177.6	69.5	0	110.2	C71 I72 N74 K430	C71-K432 CarbonylContact O-C 3.58Å; C71-K432 PolarHBondContact O-N 3.44Å; I72-K432 WeakPolarHBondContact O-CG 3.45Å; I72-K432 PolarHBondContact O-NZ 3.31Å; N74-K432 VanDerWaalsContact CA-O 3.28Å; N74-K432 WeakPolarHBondContact CA-O 3.34Å; N74-K432 HydrophobicContact CB-CB 3.92Å; N74-K432 HydrophobicContact CB-CD 4.16Å; N74-K432 HydrophobicContact CB-CG 4Å; N74-K432 WeakPolarHBondContact CB-O 3.09Å; N74-K432 PolarHBondContact N-O 2.89Å; N74-K432 PolarHBondContact OD1-NZ 2.87Å; K430-K432 HydrophobicContact CD-CD 3.84Å; K430-K432 VanDerWaalsContact CD-CE 3.49Å; K430-K432 HydrophobicContact CD-CG 4.45Å; K430-K432 HydrophobicContact CG-CD 4.11Å; K430-K432 HydrophobicContact CG-CG 4.23Å
433	P	98.6	Very high	97.7	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.146	C	C	.	.			trans	-65.9	169.9	-178.3	29.9	-36.6	0	0	0	112	D70 R274 L385 F437	D70-P433 WeakPolarHBondContact O-CB 3.45Å; R274-P433 PolarHBondContact NH1-O 2.86Å; R274-P433 PolarHBondContact NH2-O 3.44Å; L385-P433 HydrophobicContact CB-CG 4.43Å; L385-P433 HydrophobicContact CD2-CG 4.06Å; P433-F437 HydrophobicContact CB-CB 3.93Å; P433-F437 HydrophobicContact CB-CD2 3.31Å; P433-F437 HydrophobicContact CB-CE2 3.9Å; P433-F437 HydrophobicContact CB-CG 3.79Å; P433-F437 HydrophobicContact CG-CB 3.79Å; P433-F437 HydrophobicContact CG-CD1 4.2Å; P433-F437 HydrophobicContact CG-CD2 3.63Å; P433-F437 HydrophobicContact CG-CE2 4.15Å; P433-F437 HydrophobicContact CG-CG 3.63Å
434	P	98.8	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.			trans	-48.6	149.2	160.1	-31.8	41.9	0	0	0	112.7	Q58 D70 A76 C436 F437	Q58-P434 HydrophobicContact CB-CB 4.33Å; Q58-P434 HydrophobicContact CB-CG 4.36Å; D70-P434 WeakPolarHBondContact O-CD 3.48Å; A76-P434 HydrophobicContact CB-CG 4.43Å; A76-P434 VanDerWaalsContact O-CB 3.23Å; A76-P434 WeakPolarHBondContact O-CB 3.36Å; A76-P434 WeakPolarHBondContact O-CG 3.22Å; P434-C436 PolarHBondContact O-N 3.25Å; P434-F437 VanDerWaalsContact O-CB 3.3Å; P434-F437 WeakPolarHBondContact O-CB 3.35Å; P434-F437 PolarHBondContact O-N 3.39Å; P434-F437 VanDerWaalsContact O-N 3.15Å
435	L	98.8	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.6	-176.4	-70	-166.5	0	0	0	114.3	H77 L352 N355 A356 L385 F437	H77-L435 WeakPolarHBondContact CE1-CD1 3.31Å; H77-L435 WeakPolarHBondContact NE2-CD1 3.44Å; H77-L435 VanDerWaalsContact O-CB 3.31Å; H77-L435 WeakPolarHBondContact O-CB 3.42Å; H77-L435 PolarHBondContact O-N 2.7Å; L352-L435 HydrophobicContact CB-CB 3.94Å; L352-L435 HydrophobicContact CB-CD1 3.87Å; L352-L435 HydrophobicContact CD1-CB 4.24Å; L352-L435 HydrophobicContact CD2-CB 4.4Å; L352-L435 HydrophobicContact CG-CB 4.43Å; N355-L435 PolarHBondContact ND2-O 3.18Å; A356-L435 HydrophobicContact CB-CD2 3.89Å; L385-L435 HydrophobicContact CB-CD2 4.25Å; L385-L435 HydrophobicContact CD1-CD2 3.99Å; L435-F437 PolarHBondContact O-N 3.42Å
436	C	98.8	Very high	98.3	Very high	27 Å²	27	25.6 Å²	25.6	18%	0.182	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	6.3	172.6	64.1	0	0	0	0	113.6	Q58 P434	Q58-C436 PolarHBondContact OE1-SG 2.97Å; P434-C436 PolarHBondContact O-N 3.25Å
437	F	98.8	Very high	98.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.			trans	-57.7	139.9	174.4	-164.7	-92.7	0	0	0	111	Q58 L69 N355 V359 L385 P433 P434 L435 D441 A442 V445	Q58-F437 HydrophobicContact CB-CD2 4.35Å; Q58-F437 HydrophobicContact CG-CD2 4.43Å; L69-F437 HydrophobicContact CD1-CD2 4.13Å; L69-F437 HydrophobicContact CD1-CE2 3.7Å; L69-F437 HydrophobicContact CD2-CE2 3.9Å; L69-F437 HydrophobicContact CD2-CZ 4.15Å; L69-F437 HydrophobicContact CG-CE2 4Å; N355-F437 PolarHBondContact ND2-O 3.4Å; V359-F437 HydrophobicContact CG1-CD1 3.86Å; L385-F437 HydrophobicContact CD1-CB 4.18Å; L385-F437 HydrophobicContact CD2-CD1 4.29Å; P433-F437 HydrophobicContact CB-CB 3.93Å; P433-F437 HydrophobicContact CB-CD2 3.31Å; P433-F437 HydrophobicContact CB-CE2 3.9Å; P433-F437 HydrophobicContact CB-CG 3.79Å; P433-F437 HydrophobicContact CG-CB 3.79Å; P433-F437 HydrophobicContact CG-CD1 4.2Å; P433-F437 HydrophobicContact CG-CD2 3.63Å; P433-F437 HydrophobicContact CG-CE2 4.15Å; P433-F437 HydrophobicContact CG-CG 3.63Å; P434-F437 VanDerWaalsContact O-CB 3.3Å; P434-F437 WeakPolarHBondContact O-CB 3.35Å; P434-F437 PolarHBondContact O-N 3.39Å; P434-F437 VanDerWaalsContact O-N 3.15Å; L435-F437 PolarHBondContact O-N 3.42Å; F437-D441 HydrophobicContact CD1-CB 3.89Å; F437-D441 HydrophobicContact CD2-CB 3.78Å; F437-D441 HydrophobicContact CE1-CB 3.56Å; F437-D441 HydrophobicContact CE2-CB 3.48Å; F437-D441 VanDerWaalsContact CE2-CB 3.48Å; F437-D441 HydrophobicContact CG-CB 4Å; F437-D441 HydrophobicContact CZ-CB 3.34Å; F437-A442 HydrophobicContact CE1-CB 3.96Å; F437-V445 HydrophobicContact CZ-CG2 4.13Å
438	T	98.9	Very high	98.4	Very high	42 Å²	42	27 Å²	27	26%	0.258	14%	0.138	S	C	.	.			trans	-109.8	170.1	-171.3	64.9	0	0	0	0	112.5	V359 E440 D441 A442	V359-T438 WeakPolarHBondContact CG1-O 3.29Å; T438-E440 VanDerWaalsContact C-N 3.27Å; T438-E440 WeakPolarHBondContact CB-OE2 3.22Å; T438-E440 PolarHBondContact OG1-OE2 2.99Å; T438-D441 WeakPolarHBondContact CB-OD2 3.37Å; T438-D441 PolarHBondContact N-OD2 3.16Å; T438-D441 PolarHBondContact O-N 3.05Å; T438-D441 PolarHBondContact OG1-N 3.28Å; T438-D441 VanDerWaalsContact OG1-N 3.14Å; T438-D441 PolarHBondContact OG1-OD2 3.05Å; T438-A442 PolarHBondContact O-N 3.19Å
439	T	98.8	Very high	98.4	Very high	45 Å²	45	27 Å²	27	28%	0.276	14%	0.138	S	C	.	.	H	α-helix	trans	-65	-34.2	171.5	39.9	0	0	0	0	111.7	V359 Y362 D441 A442 D443	V359-T439 HydrophobicContact CG2-CG2 4.27Å; Y362-T439 HydrophobicContact CD1-CG2 3.67Å; Y362-T439 HydrophobicContact CD2-CG2 4.07Å; Y362-T439 HydrophobicContact CE1-CG2 4.17Å; Y362-T439 HydrophobicContact CG-CG2 3.61Å; T439-D441 VanDerWaalsContact C-N 3.31Å; T439-D441 PolarHBondContact O-N 3.45Å; T439-A442 WeakPolarHBondContact O-CB 3.45Å; T439-A442 PolarHBondContact O-N 3.47Å; T439-A442 VanDerWaalsContact O-N 3.14Å; T439-D443 PolarHBondContact O-N 3.26Å
440	E	98.9	Very high	98.4	Very high	124 Å²	124	28.7 Å²	28.7	58%	0.579	15%	0.147	S	C	*	.	H	α-helix	trans	-65.3	-36.3	175.6	-65	70.3	-158.3	0	0	111.4	T438 D443 L444	T438-E440 VanDerWaalsContact C-N 3.27Å; T438-E440 WeakPolarHBondContact CB-OE2 3.22Å; T438-E440 PolarHBondContact OG1-OE2 2.99Å; E440-D443 PolarHBondContact O-N 2.96Å; E440-L444 WeakPolarHBondContact O-CB 3.33Å; E440-L444 PolarHBondContact O-N 2.53Å
441	D	98.8	Very high	98.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-67.3	-37.5	173	-61.6	-52.9	0	0	0	111.7	Q58 Y59 L69 F437 T438 T439 L444 V445	Q58-D441 WeakPolarHBondContact CG-OD2 3.46Å; Q58-D441 PolarHBondContact NE2-OD2 3.16Å; Y59-D441 VanDerWaalsContact CZ-OD1 3.29Å; Y59-D441 PolarHBondContact OH-OD1 3.11Å; L69-D441 HydrophobicContact CD1-CB 3.9Å; L69-D441 WeakPolarHBondContact CD1-OD1 3.41Å; L69-D441 HydrophobicContact CD2-CB 3.94Å; F437-D441 HydrophobicContact CD1-CB 3.89Å; F437-D441 HydrophobicContact CD2-CB 3.78Å; F437-D441 HydrophobicContact CE1-CB 3.56Å; F437-D441 HydrophobicContact CE2-CB 3.48Å; F437-D441 VanDerWaalsContact CE2-CB 3.48Å; F437-D441 HydrophobicContact CG-CB 4Å; F437-D441 HydrophobicContact CZ-CB 3.34Å; T438-D441 WeakPolarHBondContact CB-OD2 3.37Å; T438-D441 PolarHBondContact N-OD2 3.16Å; T438-D441 PolarHBondContact O-N 3.05Å; T438-D441 PolarHBondContact OG1-N 3.28Å; T438-D441 VanDerWaalsContact OG1-N 3.14Å; T438-D441 PolarHBondContact OG1-OD2 3.05Å; T439-D441 VanDerWaalsContact C-N 3.31Å; T439-D441 PolarHBondContact O-N 3.45Å; D441-L444 PolarHBondContact O-N 3.13Å; D441-V445 WeakPolarHBondContact O-CG2 3.36Å; D441-V445 PolarHBondContact O-N 3.36Å
442	A	98.7	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.8	-41.4	174.5	0	0	0	0	0	111.5	Y362 L363 F437 T438 T439 V445 V446	Y362-A442 HydrophobicContact CD1-CB 3.86Å; Y362-A442 HydrophobicContact CE1-CB 4.07Å; L363-A442 HydrophobicContact CB-CB 4.26Å; L363-A442 HydrophobicContact CD1-CB 3.93Å; F437-A442 HydrophobicContact CE1-CB 3.96Å; T438-A442 PolarHBondContact O-N 3.19Å; T439-A442 WeakPolarHBondContact O-CB 3.45Å; T439-A442 PolarHBondContact O-N 3.47Å; T439-A442 VanDerWaalsContact O-N 3.14Å; A442-V445 WeakPolarHBondContact O-CB 3.45Å; A442-V445 PolarHBondContact O-N 3.2Å; A442-V446 PolarHBondContact O-N 2.88Å; A442-V446 VanDerWaalsContact O-N 3.11Å
443	D	98.8	Very high	98.6	Very high	66 Å²	66	31 Å²	31	35%	0.353	17%	0.165	S	C	.	.	H	α-helix	trans	-62.4	-45.1	174.7	-70.8	-27.3	0	0	0	111	Y362 T439 E440 V445 V446 E447	Y362-D443 VanDerWaalsContact CE1-OD1 3.26Å; Y362-D443 WeakPolarHBondContact CE1-OD1 3.45Å; Y362-D443 VanDerWaalsContact OH-CG 3.29Å; Y362-D443 PolarHBondContact OH-OD1 2.86Å; Y362-D443 PolarHBondContact OH-OD2 2.77Å; T439-D443 PolarHBondContact O-N 3.26Å; E440-D443 PolarHBondContact O-N 2.96Å; D443-V445 VanDerWaalsContact C-N 3.33Å; D443-V445 PolarHBondContact O-N 3.12Å; D443-V446 PolarHBondContact O-N 3.28Å; D443-E447 VanDerWaalsContact O-CB 3.3Å; D443-E447 WeakPolarHBondContact O-CB 3.34Å; D443-E447 PolarHBondContact O-N 3.22Å
444	L	98.6	Very high	98.5	Very high	49 Å²	49	33.3 Å²	33.3	26%	0.257	18%	0.179	S	C	.	.	H	α-helix	trans	-59.4	-42.9	176.6	178.5	61.6	0	0	0	112	L69 E440 D441 V446 E447 K448	L69-L444 HydrophobicContact CD2-CD2 4.18Å; E440-L444 WeakPolarHBondContact O-CB 3.33Å; E440-L444 PolarHBondContact O-N 2.53Å; D441-L444 PolarHBondContact O-N 3.13Å; L444-V446 VanDerWaalsContact C-N 3.34Å; L444-V446 PolarHBondContact O-N 3.31Å; L444-E447 PolarHBondContact O-N 3.22Å; L444-K448 HydrophobicContact CD1-CG 4.27Å; L444-K448 WeakPolarHBondContact O-CG 3.49Å; L444-K448 PolarHBondContact O-N 2.82Å; L444-K448 VanDerWaalsContact O-N 3.13Å
445	V	98	Very high	98.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.6	-50.6	175	163	0	0	0	0	110.5	L69 V417 F431 F437 D441 A442 D443 K448 L449	L69-V445 HydrophobicContact CD2-CG2 3.78Å; V417-V445 HydrophobicContact CG1-CG2 4.06Å; F431-V445 HydrophobicContact CE1-CG1 3.48Å; F431-V445 VanDerWaalsContact CE1-CG1 3.48Å; F431-V445 HydrophobicContact CE1-CG2 4.4Å; F431-V445 HydrophobicContact CZ-CG1 3.93Å; F437-V445 HydrophobicContact CZ-CG2 4.13Å; D441-V445 WeakPolarHBondContact O-CG2 3.36Å; D441-V445 PolarHBondContact O-N 3.36Å; A442-V445 WeakPolarHBondContact O-CB 3.45Å; A442-V445 PolarHBondContact O-N 3.2Å; D443-V445 VanDerWaalsContact C-N 3.33Å; D443-V445 PolarHBondContact O-N 3.12Å; V445-K448 PolarHBondContact O-N 3.09Å; V445-L449 WeakPolarHBondContact O-CB 3.21Å; V445-L449 PolarHBondContact O-N 2.86Å
446	V	97.7	Very high	98.3	Very high	16 Å²	16	39.6 Å²	39.6	10%	0.097	21%	0.209	C	C	.	.	H	α-helix	trans	-69.1	-39.3	-176.1	171	0	0	0	0	111.5	V366 L367 Q370 A442 D443 L444 K448 L449 D450	V366-V446 HydrophobicContact CB-CG2 4.09Å; V366-V446 HydrophobicContact CG2-CG2 3.64Å; L367-V446 HydrophobicContact CD2-CG2 4.21Å; Q370-V446 HydrophobicContact CG-CG1 3.64Å; Q370-V446 HydrophobicContact CG-CG2 4.42Å; A442-V446 PolarHBondContact O-N 2.88Å; A442-V446 VanDerWaalsContact O-N 3.11Å; D443-V446 PolarHBondContact O-N 3.28Å; L444-V446 VanDerWaalsContact C-N 3.34Å; L444-V446 PolarHBondContact O-N 3.31Å; V446-K448 PolarHBondContact O-N 2.72Å; V446-L449 PolarHBondContact O-N 2.79Å; V446-D450 WeakPolarHBondContact O-CB 3.47Å; V446-D450 PolarHBondContact O-N 3.48Å
447	E	98.4	Very high	98.2	Very high	115 Å²	115	39 Å²	39	54%	0.537	20%	0.203	S	C	.	.	H	α-helix	trans	-55.8	-39.5	174.6	-171.8	-155.9	132.2	0	0	111.6	D443 L444 P451	D443-E447 VanDerWaalsContact O-CB 3.3Å; D443-E447 WeakPolarHBondContact O-CB 3.34Å; D443-E447 PolarHBondContact O-N 3.22Å; L444-E447 PolarHBondContact O-N 3.22Å; E447-P451 WeakPolarHBondContact O-CD 3.47Å; E447-P451 WeakPolarHBondContact O-CG 3.5Å
448	K	98.5	Very high	98	Very high	47 Å²	47	45.9 Å²	45.9	20%	0.204	24%	0.236	C	C	.	.	H	α-helix	trans	-83	-33.8	177.5	-58.3	-45.8	-179.6	-160.6	0	113	L412 Q415 V417 L444 V445 V446 I452	L412-K448 HydrophobicContact CD2-CB 3.88Å; Q415-K448 HydrophobicContact CB-CB 4.1Å; Q415-K448 HydrophobicContact CB-CD 4.11Å; Q415-K448 HydrophobicContact CB-CG 3.92Å; Q415-K448 HydrophobicContact CG-CB 4.48Å; Q415-K448 HydrophobicContact CG-CD 4.39Å; V417-K448 HydrophobicContact CG2-CG 4.38Å; L444-K448 HydrophobicContact CD1-CG 4.27Å; L444-K448 WeakPolarHBondContact O-CG 3.49Å; L444-K448 PolarHBondContact O-N 2.82Å; L444-K448 VanDerWaalsContact O-N 3.13Å; V445-K448 PolarHBondContact O-N 3.09Å; V446-K448 PolarHBondContact O-N 2.72Å; K448-I452 WeakPolarHBondContact O-CD1 3.21Å; K448-I452 VanDerWaalsContact O-CG1 3.26Å; K448-I452 WeakPolarHBondContact O-CG1 3.46Å
449	L	98.5	Very high	97.8	Very high	1 Å²	1	48 Å²	48	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-71.9	-43.1	-176.8	179.4	63.2	0	0	0	113.1	L367 V408 L412 L429 V445 V446 I452 L453	L367-L449 HydrophobicContact CD2-CD2 4.06Å; V408-L449 HydrophobicContact CG1-CD1 3.53Å; L412-L449 HydrophobicContact CD1-CD1 4.34Å; L412-L449 HydrophobicContact CD2-CB 4.43Å; L429-L449 HydrophobicContact CD1-CD1 4.38Å; V445-L449 WeakPolarHBondContact O-CB 3.21Å; V445-L449 PolarHBondContact O-N 2.86Å; V446-L449 PolarHBondContact O-N 2.79Å; L449-I452 PolarHBondContact O-N 3.46Å; L449-L453 HydrophobicContact CD1-CD1 3.92Å; L449-L453 HydrophobicContact CD1-CD2 4.41Å; L449-L453 HydrophobicContact CD1-CG 3.91Å; L449-L453 HydrophobicContact CD2-CD1 4.28Å; L449-L453 HydrophobicContact CG-CD1 3.75Å; L449-L453 HydrophobicContact CG-CG 4.18Å; L449-L453 WeakPolarHBondContact O-CG 3.45Å; L449-L453 PolarHBondContact O-N 3.37Å
450	D	98.5	Very high	97.4	Very high	37 Å²	37	50 Å²	50	20%	0.198	27%	0.266	C	S	.	.	H	α-helix	trans	-54.1	-54.4	-176.5	-169.4	-31.3	0	0	0	112.9	Q370 K373 H374 V446 I452 L453 T454	Q370-D450 PolarHBondContact NE2-OD2 2.89Å; Q370-D450 VanDerWaalsContact OE1-CG 3.24Å; Q370-D450 PolarHBondContact OE1-OD2 3.43Å; K373-D450 IonicContact NZ-OD2 3.06Å; K373-D450 PolarHBondContact NZ-OD2 2.92Å; H374-D450 PolarHBondContact CE1-O 2.81Å; H374-D450 IonicContact CE1-OD1 3.18Å; H374-D450 IonicContact NE2-OD1 3.96Å; H374-D450 PolarHBondContact NE2-OD1 2.95Å; V446-D450 WeakPolarHBondContact O-CB 3.47Å; V446-D450 PolarHBondContact O-N 3.48Å; D450-I452 VanDerWaalsContact C-N 3.33Å; D450-I452 PolarHBondContact O-N 3.07Å; D450-L453 PolarHBondContact O-N 2.93Å; D450-T454 PolarHBondContact O-N 3.25Å; D450-T454 PolarHBondContact O-OG1 3.44Å
451	P	98.3	Very high	97	Very high	70 Å²	70	47 Å²	47	46%	0.455	27%	0.269	S	S	.	.	H	α-helix	trans	-66.5	-32	178.5	26.2	-35.2	0	0	0	113.3	E447 T454 E455	E447-P451 WeakPolarHBondContact O-CD 3.47Å; E447-P451 WeakPolarHBondContact O-CG 3.5Å; P451-T454 PolarHBondContact O-N 3.27Å; P451-E455 PolarHBondContact O-N 3.27Å
452	I	98.5	Very high	96.4	Very high	10 Å²	10	49.5 Å²	49.5	5%	0.051	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-45.3	176.8	-68.9	168.8	0	0	0	110.4	V408 K411 L412 K448 L449 D450 L456	V408-I452 HydrophobicContact CB-CG2 4.38Å; V408-I452 HydrophobicContact CG1-CG2 4.46Å; V408-I452 HydrophobicContact CG2-CG2 4.01Å; K411-I452 HydrophobicContact CB-CD1 3.6Å; K411-I452 HydrophobicContact CB-CG1 3.91Å; K411-I452 HydrophobicContact CB-CG2 3.99Å; K411-I452 HydrophobicContact CD-CG1 4.34Å; K411-I452 HydrophobicContact CD-CG2 3.76Å; L412-I452 HydrophobicContact CD2-CD1 3.86Å; L412-I452 HydrophobicContact CG-CD1 3.96Å; K448-I452 WeakPolarHBondContact O-CD1 3.21Å; K448-I452 VanDerWaalsContact O-CG1 3.26Å; K448-I452 WeakPolarHBondContact O-CG1 3.46Å; L449-I452 PolarHBondContact O-N 3.46Å; D450-I452 VanDerWaalsContact C-N 3.33Å; D450-I452 PolarHBondContact O-N 3.07Å; I452-L456 HydrophobicContact CG2-CD1 4.15Å; I452-L456 VanDerWaalsContact O-CG 3.31Å; I452-L456 WeakPolarHBondContact O-CG 3.31Å; I452-L456 PolarHBondContact O-N 3.3Å; I452-L456 VanDerWaalsContact O-N 3.17Å
453	L	98.3	Very high	95.3	Very high	1 Å²	1	58 Å²	58	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-42	176.9	-69.8	173.8	0	0	0	111.1	H374 L376 I377 V408 L449 D450 E455 L456 E457	H374-L453 HydrophobicContact CB-CB 4.3Å; H374-L453 HydrophobicContact CB-CD1 4.03Å; H374-L453 WeakPolarHBondContact ND1-CB 3.43Å; L376-L453 HydrophobicContact CB-CD2 4.5Å; L376-L453 HydrophobicContact CD1-CD2 4.27Å; I377-L453 HydrophobicContact CD1-CD1 3.78Å; I377-L453 HydrophobicContact CG1-CD1 4.12Å; V408-L453 HydrophobicContact CG2-CD2 3.89Å; L449-L453 HydrophobicContact CD1-CD1 3.92Å; L449-L453 HydrophobicContact CD1-CD2 4.41Å; L449-L453 HydrophobicContact CD1-CG 3.91Å; L449-L453 HydrophobicContact CD2-CD1 4.28Å; L449-L453 HydrophobicContact CG-CD1 3.75Å; L449-L453 HydrophobicContact CG-CG 4.18Å; L449-L453 WeakPolarHBondContact O-CG 3.45Å; L449-L453 PolarHBondContact O-N 3.37Å; D450-L453 PolarHBondContact O-N 2.93Å; L453-E455 PolarHBondContact O-N 3.46Å; L453-L456 PolarHBondContact O-N 3.03Å; L453-E457 WeakPolarHBondContact O-CB 3.25Å; L453-E457 VanDerWaalsContact O-CG 3.23Å; L453-E457 WeakPolarHBondContact O-CG 3.32Å; L453-E457 PolarHBondContact O-N 3.4Å
454	T	98	Very high	93.6	Very high	49 Å²	49	57.4 Å²	57.4	30%	0.301	32%	0.323	S	S	.	.	H	α-helix	trans	-55.9	-52.2	175.8	-55.8	0	0	0	0	111.6	H374 D450 P451 L456 E457 E458	H374-T454 PolarHBondContact CE1-OG1 3.2Å; D450-T454 PolarHBondContact O-N 3.25Å; D450-T454 PolarHBondContact O-OG1 3.44Å; P451-T454 PolarHBondContact O-N 3.27Å; T454-L456 VanDerWaalsContact C-N 3.31Å; T454-L456 PolarHBondContact O-N 2.72Å; T454-E457 PolarHBondContact O-N 2.79Å; T454-E458 WeakPolarHBondContact O-CG 3.34Å; T454-E458 PolarHBondContact O-N 2.86Å
455	E	97.1	Very high	91.6	Very high	109 Å²	109	61.4 Å²	61.4	51%	0.509	35%	0.345	S	S	.	.	H	α-helix	trans	-57.3	-43.7	178.2	-96	-170.9	164.7	0	0	112.3	K411 P451 L453 A459	K411-E455 IonicContact NZ-OE2 2.68Å; K411-E455 PolarHBondContact NZ-OE2 3.29Å; P451-E455 PolarHBondContact O-N 3.27Å; L453-E455 PolarHBondContact O-N 3.46Å; E455-A459 WeakPolarHBondContact O-CB 3.41Å; E455-A459 PolarHBondContact O-N 3.09Å
456	L	96.5	Very high	89	Confident	23 Å²	23	68.1 Å²	68.1	12%	0.12	38%	0.38	C	S	.	.	H	α-helix	trans	-66.9	-40.2	-179.5	-70.9	173	0	0	0	111.7	L376 E407 V408 I452 L453 T454 A459 L460	L376-L456 HydrophobicContact CD1-CB 4.15Å; E407-L456 HydrophobicContact CB-CD1 4.47Å; E407-L456 HydrophobicContact CB-CD2 4.36Å; E407-L456 HydrophobicContact CG-CD1 4.34Å; E407-L456 HydrophobicContact CG-CD2 3.67Å; V408-L456 HydrophobicContact CG2-CD1 3.55Å; I452-L456 HydrophobicContact CG2-CD1 4.15Å; I452-L456 VanDerWaalsContact O-CG 3.31Å; I452-L456 WeakPolarHBondContact O-CG 3.31Å; I452-L456 PolarHBondContact O-N 3.3Å; I452-L456 VanDerWaalsContact O-N 3.17Å; L453-L456 PolarHBondContact O-N 3.03Å; T454-L456 VanDerWaalsContact C-N 3.31Å; T454-L456 PolarHBondContact O-N 2.72Å; L456-A459 PolarHBondContact O-N 3.17Å; L456-L460 WeakPolarHBondContact O-CB 3.46Å; L456-L460 WeakPolarHBondContact O-CD1 3.16Å; L456-L460 WeakPolarHBondContact O-CG 3.33Å; L456-L460 PolarHBondContact O-N 3.32Å
457	E	96.2	Very high	86.4	Confident	13 Å²	13	70.4 Å²	70.4	6%	0.061	40%	0.397	C	S	.	.	H	α-helix	trans	-67.1	-42.5	178.9	-73	170.2	160.9	0	0	111.5	H374 P375 L376 L453 T454 L460 G461 L462	H374-E457 WeakPolarHBondContact CA-OE1 3.35Å; H374-E457 WeakPolarHBondContact CB-OE1 3.5Å; H374-E457 IonicContact CE1-OE2 3.36Å; H374-E457 IonicContact CG-OE1 3.47Å; H374-E457 IonicContact CG-OE2 2.76Å; H374-E457 IonicContact ND1-OE1 2.78Å; H374-E457 IonicContact ND1-OE2 3.73Å; H374-E457 PolarHBondContact ND1-OE2 3.01Å; P375-E457 VanDerWaalsContact CD-CD 3.43Å; P375-E457 WeakPolarHBondContact CD-OE1 3.49Å; P375-E457 HydrophobicContact CG-CG 4.17Å; P375-E457 WeakPolarHBondContact CG-OE1 3.32Å; L376-E457 HydrophobicContact CB-CG 4.5Å; L376-E457 WeakPolarHBondContact CB-OE1 3.49Å; L376-E457 HydrophobicContact CD1-CG 3.7Å; L376-E457 HydrophobicContact CG-CG 3.8Å; L376-E457 PolarHBondContact N-OE1 3.5Å; L453-E457 WeakPolarHBondContact O-CB 3.25Å; L453-E457 VanDerWaalsContact O-CG 3.23Å; L453-E457 WeakPolarHBondContact O-CG 3.32Å; L453-E457 PolarHBondContact O-N 3.4Å; T454-E457 PolarHBondContact O-N 2.79Å; E457-L460 CarbonylContact O-C 3.52Å; E457-L460 PolarHBondContact O-N 2.63Å; E457-G461 PolarHBondContact O-N 3.2Å; E457-L462 HydrophobicContact CB-CB 4.14Å; E457-L462 HydrophobicContact CG-CB 4.28Å; E457-L462 HydrophobicContact CG-CD1 4.35Å; E457-L462 PolarHBondContact O-N 3.49Å
458	E	95	Very high	83.7	Confident	146 Å²	146	68.9 Å²	68.9	68%	0.682	40%	0.404	S	S	*	.	H	α-helix	trans	-60.2	-46.1	173.3	-72.8	-179.9	175.9	0	0	111.7	T454 L460 G461	T454-E458 WeakPolarHBondContact O-CG 3.34Å; T454-E458 PolarHBondContact O-N 2.86Å; E458-L460 VanDerWaalsContact C-N 3.26Å; E458-L460 PolarHBondContact O-N 2.93Å; E458-G461 PolarHBondContact O-N 3.23Å; E458-G461 VanDerWaalsContact O-N 3.12Å
459	A	93.1	Very high	80.7	Confident	87 Å²	87	72.2 Å²	72.2	72%	0.719	43%	0.425	S	S	*	.	H	α-helix	trans	-63.2	-31.7	177.7	0	0	0	0	0	113	E455 L456	E455-A459 WeakPolarHBondContact O-CB 3.41Å; E455-A459 PolarHBondContact O-N 3.09Å; L456-A459 PolarHBondContact O-N 3.17Å
460	L	91.1	Very high	77.8	Confident	87 Å²	87	75.5 Å²	75.5	46%	0.455	45%	0.445	S	S	.	.	H	α-helix	trans	-88.2	-5.5	177.6	-67.2	171.1	0	0	0	113.3	L376 E404 L456 E457 E458 L462	L376-L460 HydrophobicContact CD2-CD1 4.45Å; E404-L460 HydrophobicContact CG-CD1 3.87Å; L456-L460 WeakPolarHBondContact O-CB 3.46Å; L456-L460 WeakPolarHBondContact O-CD1 3.16Å; L456-L460 WeakPolarHBondContact O-CG 3.33Å; L456-L460 PolarHBondContact O-N 3.32Å; E457-L460 CarbonylContact O-C 3.52Å; E457-L460 PolarHBondContact O-N 2.63Å; E458-L460 VanDerWaalsContact C-N 3.26Å; E458-L460 PolarHBondContact O-N 2.93Å; L460-L462 HydrophobicContact CB-CD1 4Å; L460-L462 HydrophobicContact CB-CG 3.84Å; L460-L462 HydrophobicContact CD1-CD1 3.92Å; L460-L462 PolarHBondContact O-N 3Å
461	G	90.8	Very high	75	Confident	61 Å²	61	80.4 Å²	80.4	63%	0.629	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	21.9	-173.8	0	0	0	0	0	113.6	E457 E458	E457-G461 PolarHBondContact O-N 3.2Å; E458-G461 PolarHBondContact O-N 3.23Å; E458-G461 VanDerWaalsContact O-N 3.12Å
462	L	85.6	Confident	72.3	Confident	53 Å²	53	83.4 Å²	83.4	28%	0.277	47%	0.474	S	S	.	.			trans	-77.8	122.3	175.7	-64.6	174.1	0	0	0	108.7	P375 L376 E457 L460	P375-L462 HydrophobicContact CG-CB 4.01Å; L376-L462 HydrophobicContact CD2-CD1 3.63Å; L376-L462 HydrophobicContact CG-CD1 3.86Å; E457-L462 HydrophobicContact CB-CB 4.14Å; E457-L462 HydrophobicContact CG-CB 4.28Å; E457-L462 HydrophobicContact CG-CD1 4.35Å; E457-L462 PolarHBondContact O-N 3.49Å; L460-L462 HydrophobicContact CB-CD1 4Å; L460-L462 HydrophobicContact CB-CG 3.84Å; L460-L462 HydrophobicContact CD1-CD1 3.92Å; L460-L462 PolarHBondContact O-N 3Å
463	K	74.9	Confident	69.5	Low	177 Å²	177	88.8 Å²	88.8	77%	0.77	50%	0.499	S	S	*	.			trans	-104.6	140.1	170.9	-65.3	-173.5	179.4	-176.3	0	109	N465	K463-N465 PolarHBondContact O-N 3.43Å
464	A	64.5	Low	66.7	Low	54 Å²	54	95.6 Å²	95.6	45%	0.446	53%	0.529	S	S	.	.			trans	-58.7	112.7	165	0	0	0	0	0	107.7	D466	A464-D466 PolarHBondContact O-N 3.38Å
465	N	55.2	Low	64.4	Low	134 Å²	134	102.4 Å²	102.4	72%	0.717	55%	0.549	S	S	*	.			trans	-69.2	116	174.8	-82.1	-22.9	0	0	0	108.2	K463 S467	K463-N465 PolarHBondContact O-N 3.43Å; N465-S467 WeakPolarHBondContact CB-OG 3.46Å; N465-S467 PolarHBondContact O-N 2.97Å
466	D	44.7	Very low	61.8	Low	140 Å²	140	105.9 Å²	105.9	75%	0.749	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	14	166.5	-85.7	-31.5	0	0	0	113.5	A464 A468 N469	A464-D466 PolarHBondContact O-N 3.38Å; D466-A468 PolarHBondContact O-N 3.08Å; D466-A468 VanDerWaalsContact O-N 3.15Å; D466-N469 PolarHBondContact O-N 3.25Å; D466-N469 VanDerWaalsContact O-N 3.12Å
467	S	42.6	Very low	59.3	Low	65 Å²	65	111.7 Å²	111.7	46%	0.455	58%	0.582	S	S	.	*	H	α-helix	trans	-68.6	-14.9	-171.6	56.3	0	0	0	0	114.2	N465 N469 T470 E471	N465-S467 WeakPolarHBondContact CB-OG 3.46Å; N465-S467 PolarHBondContact O-N 2.97Å; S467-N469 VanDerWaalsContact C-N 3.33Å; S467-T470 WeakPolarHBondContact CA-OG1 3.5Å; S467-T470 PolarHBondContact O-OG1 3.33Å; S467-E471 PolarHBondContact O-N 3.22Å
468	A	41.1	Very low	56.8	Low	83 Å²	83	116.7 Å²	116.7	69%	0.686	61%	0.608	S	S	*	*	H	α-helix	trans	-69.3	-28.2	172.4	0	0	0	0	0	113	D466	D466-A468 PolarHBondContact O-N 3.08Å; D466-A468 VanDerWaalsContact O-N 3.15Å
469	N	37.2	Very low	54.4	Low	117 Å²	117	113 Å²	113	63%	0.626	60%	0.598	S	S	*	*	H	α-helix	trans	-81.5	-29.8	176.1	-100	-15.7	0	0	0	112.7	D466 S467 E473	D466-N469 PolarHBondContact O-N 3.25Å; D466-N469 VanDerWaalsContact O-N 3.12Å; S467-N469 VanDerWaalsContact C-N 3.33Å; N469-E473 PolarHBondContact O-N 2.76Å
470	T	36.6	Very low	52	Low	70 Å²	70	116.6 Å²	116.6	43%	0.429	60%	0.597	S	S	.	*	H	α-helix	trans	-78.2	-28.9	-178.1	25.1	0	0	0	0	113.4	S467 K474	S467-T470 WeakPolarHBondContact CA-OG1 3.5Å; S467-T470 PolarHBondContact O-OG1 3.33Å; T470-K474 VanDerWaalsContact O-CB 3.26Å; T470-K474 WeakPolarHBondContact O-CB 3.22Å; T470-K474 VanDerWaalsContact O-CG 3.28Å; T470-K474 WeakPolarHBondContact O-CG 3.3Å; T470-K474 PolarHBondContact O-N 3.12Å
471	E	40.6	Very low	49.6	Very low	140 Å²	140	119 Å²	119	65%	0.654	61%	0.611	S	S	*	*	H	α-helix	trans	-72.3	-35.9	170.9	-81.6	-161.9	156.4	0	0	112.6	S467 K474 R475	S467-E471 PolarHBondContact O-N 3.22Å; E471-K474 PolarHBondContact O-N 3.4Å; E471-R475 WeakPolarHBondContact O-CB 3.17Å; E471-R475 PolarHBondContact O-N 3.46Å
472	H	39.9	Very low	47.2	Very low	133 Å²	133	124.3 Å²	124.3	62%	0.616	62%	0.619	S	S	*	*	H	α-helix	trans	-70.2	-35.1	177	-147.9	-25.9	0	0	0	111.9	R476	H472-R476 WeakPolarHBondContact O-CB 3.38Å; H472-R476 PolarHBondContact O-N 2.7Å; H472-R476 VanDerWaalsContact O-N 3.1Å
473	E	40.8	Very low	45	Very low	123 Å²	123	129.2 Å²	129.2	58%	0.575	65%	0.646	S	S	*	*	H	α-helix	trans	-72	-37.4	170.4	-80.4	-167.4	146.3	0	0	113.4	N469 R476 K477	N469-E473 PolarHBondContact O-N 2.76Å; E473-R476 PolarHBondContact O-N 3.1Å; E473-K477 PolarHBondContact O-N 3.35Å
474	K	39.5	Very low	43	Very low	144 Å²	144	123.3 Å²	123.3	63%	0.626	64%	0.635	S	S	*	*	H	α-helix	trans	-65	-42.5	173.6	-83.4	177.9	176.9	179.2	0	111.7	T470 E471 R476 K477 L478	T470-K474 VanDerWaalsContact O-CB 3.26Å; T470-K474 WeakPolarHBondContact O-CB 3.22Å; T470-K474 VanDerWaalsContact O-CG 3.28Å; T470-K474 WeakPolarHBondContact O-CG 3.3Å; T470-K474 PolarHBondContact O-N 3.12Å; E471-K474 PolarHBondContact O-N 3.4Å; K474-R476 VanDerWaalsContact C-N 3.32Å; K474-R476 PolarHBondContact O-N 3.03Å; K474-K477 PolarHBondContact O-N 3.46Å; K474-L478 WeakPolarHBondContact O-CB 3.42Å; K474-L478 WeakPolarHBondContact O-CD1 3.35Å; K474-L478 WeakPolarHBondContact O-CG 3.25Å; K474-L478 PolarHBondContact O-N 3Å
475	R	48.5	Very low	41.5	Very low	191 Å²	191	130.6 Å²	130.6	72%	0.721	66%	0.66	S	S	*	*	H	α-helix	trans	-63.1	-36.1	172.7	-82	-178.3	172.7	178.8	-0.8	112.4	E471 S479	E471-R475 WeakPolarHBondContact O-CB 3.17Å; E471-R475 PolarHBondContact O-N 3.46Å; R475-S479 PolarHBondContact O-N 2.96Å
476	R	43.3	Very low	40.2	Very low	183 Å²	183	128.1 Å²	128.1	69%	0.691	67%	0.666	S	S	*	*	H	α-helix	trans	-68.3	-38.6	173.9	-112	179	171.9	179.6	-0.9	113	H472 E473 K474 S479 K480	H472-R476 WeakPolarHBondContact O-CB 3.38Å; H472-R476 PolarHBondContact O-N 2.7Å; H472-R476 VanDerWaalsContact O-N 3.1Å; E473-R476 PolarHBondContact O-N 3.1Å; K474-R476 VanDerWaalsContact C-N 3.32Å; K474-R476 PolarHBondContact O-N 3.03Å; R476-S479 PolarHBondContact O-OG 3.14Å; R476-K480 PolarHBondContact O-N 3.07Å
477	K	43.6	Very low	39.4	Very low	145 Å²	145	124.8 Å²	124.8	63%	0.63	66%	0.664	S	S	*	*	H	α-helix	trans	-69.6	-42.6	175.8	-79.6	-178.4	176.6	176.8	0	112.1	E473 K474 S479 K480 D481	E473-K477 PolarHBondContact O-N 3.35Å; K474-K477 PolarHBondContact O-N 3.46Å; K477-S479 VanDerWaalsContact C-N 3.29Å; K477-S479 PolarHBondContact O-N 3.24Å; K477-K480 PolarHBondContact O-N 3.41Å; K477-D481 PolarHBondContact O-N 2.84Å
478	L	43.2	Very low	38.8	Very low	118 Å²	118	129.4 Å²	129.4	62%	0.618	68%	0.683	S	S	*	*	H	α-helix	trans	-60	-35.7	174.5	-78.9	155.1	0	0	0	112.6	K474 K480	K474-L478 WeakPolarHBondContact O-CB 3.42Å; K474-L478 WeakPolarHBondContact O-CD1 3.35Å; K474-L478 WeakPolarHBondContact O-CG 3.25Å; K474-L478 PolarHBondContact O-N 3Å; L478-K480 VanDerWaalsContact C-N 3.3Å; L478-K480 PolarHBondContact O-N 3.37Å
479	S	45.2	Very low	38.2	Very low	67 Å²	67	131.6 Å²	131.6	47%	0.469	68%	0.683	S	S	.	*	H	α-helix	trans	-72.8	-17.7	175.2	78.2	0	0	0	0	114.9	R475 R476 K477	R475-S479 PolarHBondContact O-N 2.96Å; R476-S479 PolarHBondContact O-OG 3.14Å; K477-S479 VanDerWaalsContact C-N 3.29Å; K477-S479 PolarHBondContact O-N 3.24Å
480	K	42.3	Very low	37.9	Very low	163 Å²	163	134.3 Å²	134.3	71%	0.709	69%	0.692	S	S	*	*	H	α-helix	trans	-90	-27.3	178.8	-80.3	-172	174.2	-173.4	0	112.6	R476 K477 L478	R476-K480 PolarHBondContact O-N 3.07Å; K477-K480 PolarHBondContact O-N 3.41Å; L478-K480 VanDerWaalsContact C-N 3.3Å; L478-K480 PolarHBondContact O-N 3.37Å
481	D	41.2	Very low	37.5	Very low	139 Å²	139	135.1 Å²	135.1	74%	0.743	70%	0.7	S	S	*	*	H	α-helix	trans	-82.5	-13.9	179.8	-68.7	-24.5	0	0	0	113.2	K477	K477-D481 PolarHBondContact O-N 2.84Å
482	E	40.7	Very low	37	Very low	172 Å²	172	134.5 Å²	134.5	80%	0.804	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-1.2	175.6	-74.7	-171.4	158.4	0	0	114.9
483	N	38.9	Very low	36.5	Very low	155 Å²	155	136.4 Å²	136.4	83%	0.829	71%	0.711	S	S	*	*	S	Bend	trans	-116.6	36.7	-178	-88.4	-33.5	0	0	0	114.1
484	G	32.9	Very low	35.9	Very low	53 Å²	53	133.9 Å²	133.9	55%	0.546	72%	0.717	S	S	.	*			trans	-145.3	78	178.6	0	0	0	0	0	113.8
485	H	32.9	Very low	35.4	Very low	208 Å²	208	133.3 Å²	133.3	96%	0.963	73%	0.726	S	S	*	*			trans	179.5	122	137.9	-103.5	52.1	0	0	0	111
486	G	28.1	Very low	34.5	Very low	82 Å²	82	132.1 Å²	132.1	85%	0.845	73%	0.728	S	S	*	*			trans	162.3	61	173	0	0	0	0	0	113.4
487	G	27.3	Very low	33.9	Very low	69 Å²	69	130.8 Å²	130.8	71%	0.711	73%	0.73	S	S	*	*			trans	-90	139.8	163.7	0	0	0	0	0	110.5
488	L	30	Very low	33.3	Very low	162 Å²	162	130.7 Å²	130.7	85%	0.848	73%	0.732	S	S	*	*			trans	-174.7	115.7	138.6	-97.7	157.8	0	0	0	111.6
489	N	29.6	Very low	32.6	Very low	130 Å²	130	131 Å²	131	70%	0.695	74%	0.738	S	S	*	*			trans	26.1	123.4	143.4	-63.7	-12.3	0	0	0	121
490	H	30.3	Very low	32	Very low	173 Å²	173	138.2 Å²	138.2	80%	0.801	76%	0.755	S	S	*	*				-173.5	135	94.4	-109	-65.4	0	0	0	113.9
491	S	29.5	Very low	31.5	Very low	88 Å²	88	138.5 Å²	138.5	62%	0.615	76%	0.759	S	S	*	*			trans	0.3	141.8	150.6	50.4	0	0	0	0	122.7
492	N	28.8	Very low	31.1	Very low	127 Å²	127	143.5 Å²	143.5	68%	0.679	77%	0.768	S	S	*	*				120.1	116.6	128.6	-95.1	24.9	0	0	0	118.4
493	E	30.2	Very low	30.9	Very low	173 Å²	173	144.7 Å²	144.7	81%	0.808	77%	0.77	S	S	*	*			trans	61.3	118.6	131.9	-65.2	176	158.6	0	0	120.4
494	G	27.4	Very low	30.8	Very low	69 Å²	69	148.6 Å²	148.6	71%	0.711	77%	0.773	S	S	*	*				115.6	118.5	117.9	0	0	0	0	0	118.4
495	V	30.2	Very low	30.9	Very low	132 Å²	132	155 Å²	155	80%	0.8	79%	0.791	S	S	*	*			trans	70.9	105.6	137.9	-168.8	0	0	0	0	117.1
496	Q	29.3	Very low	31.5	Very low	166 Å²	166	154 Å²	154	78%	0.776	78%	0.784	S	S	*	*				71.1	132.1	85.9	-122.7	179.5	8	0	0	115.5
497	E	30.7	Very low	32.6	Very low	155 Å²	155	160.4 Å²	160.4	72%	0.724	81%	0.807	S	S	*	*			trans	72.2	146.4	160.3	-71.1	-167.7	127.2	0	0	117.4
498	Q	30.1	Very low	32.9	Very low	144 Å²	144	165 Å²	165	67%	0.673	81%	0.812	S	S	*	*			cis	-163.7	140.3	9.3	-118.9	168	29.3	0	0	108.5
499	T	29.8	Very low	33	Very low	123 Å²	123	165.1 Å²	165.1	76%	0.755	81%	0.81	S	S	*	*				20.2	128.5	129	-26.8	0	0	0	0	121.6
500	R	31.6	Very low	33.2	Very low	219 Å²	219	167.1 Å²	167.1	83%	0.826	82%	0.816	S	S	*	*				150.2	112.6	124.1	-88.4	-177.6	169.1	174	-2.2	112.6
501	Q	31.9	Very low	33.4	Very low	170 Å²	170	166.7 Å²	166.7	79%	0.794	82%	0.817	S	S	*	*				65.5	119.5	97.8	-89.6	-171	-6.4	0	0	117
502	R	32.4	Very low	33.7	Very low	244 Å²	244	171.6 Å²	171.6	92%	0.921	83%	0.83	S	S	*	*				175.1	106.6	124.1	-95.8	166.6	178.6	-164	-0.7	109.5
503	K	36.6	Very low	34	Very low	197 Å²	197	174.6 Å²	174.6	86%	0.857	84%	0.84	S	S	*	*				32.4	106.6	97.8	-86.5	-174.9	177.2	179.1	0	113.3
504	R	38.3	Very low	34.2	Very low	236 Å²	236	174.7 Å²	174.7	89%	0.891	84%	0.842	S	S	*	*				65.6	111.9	81.1	-151.4	-171.3	-156.3	-172.1	6.9	112.6
505	M	34.9	Very low	34.8	Very low	187 Å²	187	182.8 Å²	182.8	92%	0.921	85%	0.852	S	S	*	*			trans	-155.9	134.1	143.4	-107.8	178.1	94.9	0	0	110.9
506	K	44.4	Very low	35.2	Very low	188 Å²	188	187.1 Å²	187.1	82%	0.817	86%	0.857	S	S	*	*			trans	-71.1	146.9	166.1	-70.6	174.7	166.9	-174.5	0	109.1
507	T	51.8	Low	35.7	Very low	216 Å²	216	189 Å²	189	100%	1.325	86%	0.864	S	S	*	*				-146	0	115.3	-29	0	0	0	0	107.6

Retrieved 507 of 507 residues in 1593 ms (Link to these results)

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