A0A087X9K4_POEFO Loading...

Transaldolase

Catalyzes the rate-limiting step of the non-oxidative phase in the pentose phosphate pathway. Catalyzes the reversible conversion of sedheptulose-7-phosphate and D-glyceraldehyde 3-phosphate into erythrose-4-phosphate and beta-D-fructose 6-phosphate.

AlphaFold DB , UniProt , Accession A0A087X9K4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 338 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.7	Very low	45.9	Very low	246 Å²	246	165.2 Å²	165.2	100%	1.212	87%	0.865	S	S	*	*				0	123.3	0	-66	177.9	-158.6	0	0	106.8	S3	M1-S3 PolarHBondContact O-N 2.96Å
2	S	40.1	Very low	48.8	Very low	126 Å²	126	161.9 Å²	161.9	88%	0.881	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-60	124.5	-161.1	-172	0	0	0	0	113.5	G4	S2-G4 PolarHBondContact O-N 2.89Å
3	S	42.3	Very low	52.4	Low	108 Å²	108	155.2 Å²	155.2	76%	0.755	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-64.5	117	164.5	49.1	0	0	0	0	110.2	M1 S5	M1-S3 PolarHBondContact O-N 2.96Å; S3-S5 PolarHBondContact O-N 3.3Å
4	G	41.7	Very low	55.5	Low	75 Å²	75	144.9 Å²	144.9	77%	0.773	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-67.7	116.2	167.5	0	0	0	0	0	109.7	S2	S2-G4 PolarHBondContact O-N 2.89Å
5	S	42.4	Very low	58.4	Low	101 Å²	101	135.2 Å²	135.2	71%	0.706	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-70.3	135.7	175.6	-156.4	0	0	0	0	110.1	S3 D7	S3-S5 PolarHBondContact O-N 3.3Å; S5-D7 PolarHBondContact O-N 3.23Å; S5-D7 VanDerWaalsContact O-N 3.09Å
6	P	47	Very low	60.8	Low	133 Å²	133	127.2 Å²	127.2	86%	0.864	66%	0.662	S	S	*	*	S	Bend	trans	-75.7	7.9	-176.9	-10.3	27	0	0	0	114.7
7	D	49.3	Very low	62.9	Low	134 Å²	134	124.1 Å²	124.1	72%	0.717	65%	0.647	S	S	*	*			trans	-123	83.5	-153.9	-152.9	8	0	0	0	111.4	S5	S5-D7 PolarHBondContact O-N 3.23Å; S5-D7 VanDerWaalsContact O-N 3.09Å
8	K	42.6	Very low	64.9	Low	204 Å²	204	119.2 Å²	119.2	89%	0.887	62%	0.62	S	S	*	*			trans	-169.8	33.2	165.7	-108.6	167.8	-160.5	-175.6	0	115.3	R10	K8-R10 PolarHBondContact O-N 3.06Å
9	R	44	Very low	66.6	Low	248 Å²	248	113 Å²	113	94%	0.936	59%	0.588	S	S	*	*			trans	-81.7	81.7	150.3	-82.3	-174.2	-174.5	174	2.4	106.9	K11	R9-K11 VanDerWaalsContact C-N 3.35Å; R9-K11 PolarHBondContact O-N 3.46Å
10	R	52	Low	68.1	Low	236 Å²	236	111.1 Å²	111.1	89%	0.891	58%	0.575	S	S	*	*			trans	-53.4	105.4	164.1	-156.2	178	-171.9	-174.6	1.2	104.8	K8 M12	K8-R10 PolarHBondContact O-N 3.06Å; R10-M12 PolarHBondContact O-N 3.29Å
11	K	63	Low	69.5	Low	206 Å²	206	112.5 Å²	112.5	90%	0.896	58%	0.577	S	S	*	*			trans	-52.5	108	177	-100.6	-177.3	173.5	-179.6	0	105.9	R9 E13	R9-K11 VanDerWaalsContact C-N 3.35Å; R9-K11 PolarHBondContact O-N 3.46Å; K11-E13 PolarHBondContact O-N 2.86Å
12	M	80.9	Confident	72.3	Confident	126 Å²	126	103.9 Å²	103.9	62%	0.621	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-59.7	126.6	176.9	-79	177	57.4	0	0	106.8	R10 S14 H268	R10-M12 PolarHBondContact O-N 3.29Å; M12-S14 PolarHBondContact O-N 3.29Å; M12-H268 HydrophobicContact CB-CB 4.1Å; M12-H268 HydrophobicContact CE-CB 4.01Å; M12-H268 WeakPolarHBondContact CE-O 3.28Å; M12-H268 PolarHBondContact O-CE1 3.49Å; M12-H268 VanDerWaalsContact O-CE1 3.3Å; M12-H268 PolarHBondContact O-ND1 2.98Å
13	E	94.6	Very high	75.1	Confident	74 Å²	74	98.2 Å²	98.2	35%	0.346	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-62.8	135.5	179	-175.8	173.9	-140.2	0	0	109.4	K11 N17 Q18 K21	K11-E13 PolarHBondContact O-N 2.86Å; E13-N17 HydrophobicContact CG-CB 3.45Å; E13-N17 VanDerWaalsContact CG-CB 3.45Å; E13-Q18 HydrophobicContact CB-CG 4.23Å; E13-Q18 HydrophobicContact CG-CG 3.98Å; E13-Q18 PolarHBondContact O-NE2 2.63Å; E13-K21 WeakPolarHBondContact OE1-CE 3.47Å; E13-K21 IonicContact OE1-NZ 3.98Å; E13-K21 PolarHBondContact OE1-NZ 2.86Å; E13-K21 IonicContact OE2-NZ 3.91Å; E13-K21 PolarHBondContact OE2-NZ 2.98Å
14	S	96.8	Very high	77.7	Confident	11 Å²	11	95.9 Å²	95.9	8%	0.077	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-64.8	154.9	178.7	60.4	0	0	0	0	111.7	M12 L16 N17 Q18 S265 D267	M12-S14 PolarHBondContact O-N 3.29Å; S14-L16 PolarHBondContact O-N 2.97Å; S14-N17 PolarHBondContact O-N 2.96Å; S14-N17 PolarHBondContact OG-N 3.27Å; S14-N17 PolarHBondContact OG-ND2 2.71Å; S14-Q18 WeakPolarHBondContact O-CG 3.48Å; S14-Q18 PolarHBondContact O-N 3.37Å; S14-S265 WeakPolarHBondContact CB-O 3.32Å; S14-D267 CarbonylContact C-O 3.42Å; S14-D267 WeakPolarHBondContact CA-O 3.44Å
15	A	97.8	Very high	80.4	Confident	0 Å²	0	92.6 Å²	92.6	0%	0	44%	0.441	C	S	.	.	H	α-helix	trans	-57.3	-35.9	176.7	0	0	0	0	0	111	Q18 L19 L264 D267 V271	A15-Q18 PolarHBondContact O-N 3.09Å; A15-L19 VanDerWaalsContact O-CB 3.26Å; A15-L19 WeakPolarHBondContact O-CB 3.49Å; A15-L19 PolarHBondContact O-N 3.44Å; A15-L264 HydrophobicContact CB-CD2 4.11Å; A15-L264 PolarHBondContact N-O 2.94Å; A15-D267 HydrophobicContact CB-CB 3.96Å; A15-D267 PolarHBondContact N-O 3.37Å; A15-V271 HydrophobicContact CB-CG2 3.76Å
16	L	97.3	Very high	83	Confident	7 Å²	7	87.8 Å²	87.8	4%	0.037	41%	0.407	C	S	.	.	H	α-helix	trans	-59.9	-45.8	173.3	-179	58.9	0	0	0	112.6	S14 L19 K20 V25 Y38 L261 L264	S14-L16 PolarHBondContact O-N 2.97Å; L16-L19 PolarHBondContact O-N 3.46Å; L16-K20 WeakPolarHBondContact O-CG 3.47Å; L16-K20 PolarHBondContact O-N 3.48Å; L16-V25 HydrophobicContact CD1-CG1 4.33Å; L16-V25 HydrophobicContact CD1-CG2 4.24Å; L16-Y38 HydrophobicContact CD2-CD1 3.86Å; L16-L261 HydrophobicContact CD1-CD2 3.75Å; L16-L264 HydrophobicContact CB-CB 3.9Å; L16-L264 PolarHBondContact N-O 3.36Å
17	N	96.9	Very high	85.4	Confident	74 Å²	74	81.5 Å²	81.5	40%	0.396	37%	0.367	S	S	.	.	H	α-helix	trans	-71.4	-35	179.9	-76.6	-20.7	0	0	0	112.1	E13 S14	E13-N17 HydrophobicContact CG-CB 3.45Å; E13-N17 VanDerWaalsContact CG-CB 3.45Å; S14-N17 PolarHBondContact O-N 2.96Å; S14-N17 PolarHBondContact OG-N 3.27Å; S14-N17 PolarHBondContact OG-ND2 2.71Å
18	Q	98	Very high	87.6	Confident	36 Å²	36	76.6 Å²	76.6	17%	0.168	34%	0.341	C	S	.	.	H	α-helix	trans	-63.8	-44.8	170.9	-65.5	176.4	58.4	0	0	111.2	E13 S14 A15 K20 K21 S269 V271	E13-Q18 HydrophobicContact CB-CG 4.23Å; E13-Q18 HydrophobicContact CG-CG 3.98Å; E13-Q18 PolarHBondContact O-NE2 2.63Å; S14-Q18 WeakPolarHBondContact O-CG 3.48Å; S14-Q18 PolarHBondContact O-N 3.37Å; A15-Q18 PolarHBondContact O-N 3.09Å; Q18-K20 VanDerWaalsContact C-N 3.35Å; Q18-K20 PolarHBondContact O-N 3.21Å; Q18-K21 WeakPolarHBondContact O-CB 3.46Å; Q18-K21 PolarHBondContact O-N 3.37Å; Q18-K21 VanDerWaalsContact O-N 3.16Å; Q18-S269 PolarHBondContact NE2-O 3.42Å; Q18-S269 VanDerWaalsContact NE2-O 3.11Å; Q18-V271 HydrophobicContact CB-CB 3.95Å; Q18-V271 HydrophobicContact CB-CG2 4.13Å
19	L	98.1	Very high	90.1	Very high	2 Å²	2	67.4 Å²	67.4	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-59.6	-42.4	178.1	179.5	66.3	0	0	0	112.1	A15 L16 K21 L22 T23 V25 V245 A249 L254 I256 L264 V271	A15-L19 VanDerWaalsContact O-CB 3.26Å; A15-L19 WeakPolarHBondContact O-CB 3.49Å; A15-L19 PolarHBondContact O-N 3.44Å; L16-L19 PolarHBondContact O-N 3.46Å; L19-K21 PolarHBondContact O-N 3.17Å; L19-L22 PolarHBondContact O-N 3.5Å; L19-T23 PolarHBondContact O-N 3.01Å; L19-V25 HydrophobicContact CD2-CG2 4.08Å; L19-V25 HydrophobicContact CG-CG2 4.3Å; L19-V245 HydrophobicContact CD2-CG1 3.59Å; L19-A249 HydrophobicContact CD1-CB 3.74Å; L19-L254 HydrophobicContact CD1-CD1 4.31Å; L19-I256 HydrophobicContact CD2-CD1 3.97Å; L19-L264 HydrophobicContact CD2-CD1 4.41Å; L19-V271 HydrophobicContact CD1-CG1 4.44Å
20	K	97.3	Very high	92.3	Very high	75 Å²	75	55.7 Å²	55.7	33%	0.326	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.2	178.1	-78.3	179.9	175.7	-170.2	0	114.4	L16 Q18 L22 T23 V25 Y38	L16-K20 WeakPolarHBondContact O-CG 3.47Å; L16-K20 PolarHBondContact O-N 3.48Å; Q18-K20 VanDerWaalsContact C-N 3.35Å; Q18-K20 PolarHBondContact O-N 3.21Å; K20-L22 VanDerWaalsContact C-N 3.34Å; K20-T23 WeakPolarHBondContact CA-O 3.25Å; K20-V25 HydrophobicContact CG-CB 4.28Å; K20-V25 HydrophobicContact CG-CG2 3.71Å; K20-Y38 PolarHBondContact NZ-O 3.03Å
21	K	97.7	Very high	94.3	Very high	141 Å²	141	46.6 Å²	46.6	61%	0.613	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.3	174	-61.9	173.8	-178.3	175.1	0	113	E13 Q18 L19	E13-K21 WeakPolarHBondContact OE1-CE 3.47Å; E13-K21 IonicContact OE1-NZ 3.98Å; E13-K21 PolarHBondContact OE1-NZ 2.86Å; E13-K21 IonicContact OE2-NZ 3.91Å; E13-K21 PolarHBondContact OE2-NZ 2.98Å; Q18-K21 WeakPolarHBondContact O-CB 3.46Å; Q18-K21 PolarHBondContact O-N 3.37Å; Q18-K21 VanDerWaalsContact O-N 3.16Å; L19-K21 PolarHBondContact O-N 3.17Å
22	L	98.1	Very high	95.6	Very high	65 Å²	65	37.3 Å²	37.3	34%	0.34	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-29.1	-173.5	-56.6	177.2	0	0	0	112.2	L19 K20 A249 V271 A273	L19-L22 PolarHBondContact O-N 3.5Å; K20-L22 VanDerWaalsContact C-N 3.34Å; L22-A249 HydrophobicContact CD1-CB 4.05Å; L22-V271 HydrophobicContact CD1-CG1 4.16Å; L22-A273 HydrophobicContact CD1-CB 4.34Å; L22-A273 HydrophobicContact CD2-CB 4.14Å
23	T	98.4	Very high	95.9	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.043	18%	0.181	C	C	.	.	S	Bend	trans	-145.2	143.6	-169.8	-72.9	0	0	0	0	110.1	L19 K20 V25 G250 C251 L254	L19-T23 PolarHBondContact O-N 3.01Å; K20-T23 WeakPolarHBondContact CA-O 3.25Å; T23-V25 PolarHBondContact O-N 3.22Å; T23-G250 WeakPolarHBondContact OG1-CA 3.47Å; T23-G250 PolarHBondContact OG1-N 3.34Å; T23-C251 WeakPolarHBondContact CB-O 3.4Å; T23-C251 WeakPolarHBondContact CG2-O 3.44Å; T23-C251 PolarHBondContact OG1-N 3.44Å; T23-C251 PolarHBondContact OG1-O 3Å; T23-L254 HydrophobicContact CG2-CB 3.96Å; T23-L254 HydrophobicContact CG2-CD1 3.96Å; T23-L254 HydrophobicContact CG2-CG 3.65Å
24	V	98.4	Very high	95.5	Very high	59 Å²	59	33.2 Å²	33.2	36%	0.358	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	117.9	171.5	177.8	0	0	0	0	109.6	Q41 D252 L253 L254	V24-Q41 HydrophobicContact CG1-CB 3.41Å; V24-Q41 VanDerWaalsContact CG1-CB 3.41Å; V24-Q41 HydrophobicContact CG1-CG 3.62Å; V24-D252 PolarHBondContact N-O 3.4Å; V24-L253 HydrophobicContact CB-CD1 3.94Å; V24-L253 HydrophobicContact CB-CG 3.86Å; V24-L253 HydrophobicContact CG1-CD1 4.39Å; V24-L253 HydrophobicContact CG1-CG 4.04Å; V24-L253 HydrophobicContact CG2-CD1 4.38Å; V24-L253 VanDerWaalsContact O-CA 3.25Å; V24-L253 WeakPolarHBondContact O-CA 3.4Å; V24-L254 PolarHBondContact O-N 2.95Å
25	V	97.6	Very high	95.1	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.03	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	130.4	179.5	175.4	0	0	0	0	110.7	L16 L19 K20 T23 Q41 I256 L261	L16-V25 HydrophobicContact CD1-CG1 4.33Å; L16-V25 HydrophobicContact CD1-CG2 4.24Å; L19-V25 HydrophobicContact CD2-CG2 4.08Å; L19-V25 HydrophobicContact CG-CG2 4.3Å; K20-V25 HydrophobicContact CG-CB 4.28Å; K20-V25 HydrophobicContact CG-CG2 3.71Å; T23-V25 PolarHBondContact O-N 3.22Å; V25-Q41 PolarHBondContact O-N 3.05Å; V25-I256 HydrophobicContact CG1-CD1 4.38Å; V25-L261 HydrophobicContact CG1-CD2 3.68Å
26	V	97.8	Very high	94.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.4	178.4	177.4	0	0	0	0	108.6	D42 T44 M235 L253 L254 T255 I256	V26-D42 WeakPolarHBondContact CA-O 3.24Å; V26-D42 HydrophobicContact CB-CB 4.43Å; V26-D42 HydrophobicContact CG1-CB 3.94Å; V26-D42 WeakPolarHBondContact CG1-O 3.45Å; V26-D42 HydrophobicContact CG2-CB 3.82Å; V26-T44 HydrophobicContact CG1-CG2 3.94Å; V26-M235 HydrophobicContact CB-SD 4.09Å; V26-M235 HydrophobicContact CG1-SD 3.98Å; V26-M235 HydrophobicContact CG2-SD 3.89Å; V26-L253 HydrophobicContact CG2-CB 4.2Å; V26-L253 HydrophobicContact CG2-CD2 3.83Å; V26-L253 HydrophobicContact CG2-CG 4.05Å; V26-L254 PolarHBondContact N-O 3.06Å; V26-T255 WeakPolarHBondContact CG1-OG1 3.17Å; V26-T255 WeakPolarHBondContact O-CA 3.49Å; V26-I256 PolarHBondContact O-N 3.24Å
27	A	96.8	Very high	93.9	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.017	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.4	176.4	0	0	0	0	0	111.7	T29 I35 P40 D42 A43 T44 L261	A27-T29 HydrophobicContact CB-CG2 4.33Å; A27-I35 HydrophobicContact CB-CG1 4.38Å; A27-P40 HydrophobicContact CB-CB 3.96Å; A27-P40 HydrophobicContact CB-CG 3.71Å; A27-D42 PolarHBondContact N-O 2.88Å; A27-D42 VanDerWaalsContact N-O 3.15Å; A27-A43 CarbonylContact O-C 3.55Å; A27-A43 VanDerWaalsContact O-CA 3.28Å; A27-A43 WeakPolarHBondContact O-CA 3.3Å; A27-T44 PolarHBondContact O-N 2.98Å; A27-L261 HydrophobicContact CB-CD1 4.42Å
28	D	95.8	Very high	93.5	Very high	31 Å²	31	39.7 Å²	39.7	17%	0.166	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	85.2	175.5	-163.3	29.6	0	0	0	110.6	T44 L49 T255 I256	D28-T44 WeakPolarHBondContact CA-OG1 3.41Å; D28-T44 PolarHBondContact OD1-OG1 3.04Å; D28-L49 WeakPolarHBondContact OD1-CD1 3.33Å; D28-T255 WeakPolarHBondContact CB-OG1 3.35Å; D28-I256 PolarHBondContact N-O 2.73Å
29	T	95.3	Very high	93.1	Very high	10 Å²	10	46.1 Å²	46.1	6%	0.061	23%	0.228	C	C	.	.			trans	-161.1	145.8	-176.2	-171.5	0	0	0	0	113	A27 D31 I35 T44 P258	A27-T29 HydrophobicContact CB-CG2 4.33Å; T29-D31 WeakPolarHBondContact OG1-CB 3.46Å; T29-D31 PolarHBondContact OG1-N 2.98Å; T29-I35 HydrophobicContact CG2-CD1 4.05Å; T29-I35 HydrophobicContact CG2-CG1 3.58Å; T29-T44 PolarHBondContact N-O 3.35Å; T29-T44 VanDerWaalsContact N-O 3.16Å; T29-P258 HydrophobicContact CG2-CG 4.13Å
30	G	90.1	Very high	92.8	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.021	23%	0.229	C	C	.	.	S	Bend	trans	-90.3	-11.5	163.1	0	0	0	0	0	113.1	F32	G30-F32 PolarHBondContact O-N 3.19Å; G30-F32 VanDerWaalsContact O-N 3.14Å
31	D	93.3	Very high	92.7	Very high	45 Å²	45	46.7 Å²	46.7	24%	0.241	23%	0.232	C	C	.	.			trans	-81	85.9	175	-177.3	4.9	0	0	0	109.8	T29 N33 A34 M56 Y59	T29-D31 WeakPolarHBondContact OG1-CB 3.46Å; T29-D31 PolarHBondContact OG1-N 2.98Å; D31-N33 PolarHBondContact O-N 3.39Å; D31-N33 PolarHBondContact OD1-N 3.37Å; D31-A34 HydrophobicContact CB-CB 4.39Å; D31-A34 WeakPolarHBondContact O-CB 3.42Å; D31-A34 PolarHBondContact O-N 2.91Å; D31-A34 VanDerWaalsContact O-N 3.1Å; D31-M56 HydrophobicContact CB-SD 4.45Å; D31-Y59 HydrophobicContact CB-CE2 4.44Å; D31-Y59 PolarHBondContact OD1-OH 3.28Å
32	F	89.8	Confident	92.7	Very high	12 Å²	12	40.3 Å²	40.3	5%	0.053	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-69.5	-15.1	-176.5	55.5	-101.1	0	0	0	114.1	G30 A34 I35 Y59 L62 F92 E95 I96	G30-F32 PolarHBondContact O-N 3.19Å; G30-F32 VanDerWaalsContact O-N 3.14Å; F32-A34 VanDerWaalsContact C-N 3.29Å; F32-I35 HydrophobicContact CB-CD1 4.1Å; F32-I35 WeakPolarHBondContact O-CB 3.49Å; F32-I35 PolarHBondContact O-N 3.16Å; F32-Y59 HydrophobicContact CD1-CE1 4.07Å; F32-Y59 HydrophobicContact CD2-CE1 4.11Å; F32-Y59 AromaticContact CE1-CD1 3.57Å; F32-Y59 HydrophobicContact CE1-CD1 3.57Å; F32-Y59 AromaticContact CE1-CE1 3.43Å; F32-Y59 HydrophobicContact CE1-CE1 3.43Å; F32-Y59 VanDerWaalsContact CE1-CE1 3.43Å; F32-Y59 HydrophobicContact CE1-CG 4.21Å; F32-Y59 AromaticContact CE1-CZ 3.94Å; F32-Y59 HydrophobicContact CE2-CD1 4.13Å; F32-Y59 AromaticContact CE2-CE1 3.47Å; F32-Y59 HydrophobicContact CE2-CE1 3.47Å; F32-Y59 VanDerWaalsContact CE2-CE1 3.47Å; F32-Y59 HydrophobicContact CG-CE1 4.39Å; F32-Y59 AromaticContact CZ-CD1 3.33Å; F32-Y59 HydrophobicContact CZ-CD1 3.33Å; F32-Y59 AromaticContact CZ-CE1 3.11Å; F32-Y59 HydrophobicContact CZ-CE1 3.11Å; F32-Y59 HydrophobicContact CZ-CG 4.37Å; F32-Y59 AromaticContact CZ-CZ 3.99Å; F32-Y59 PolarHBondContact N-OH 3.03Å; F32-L62 HydrophobicContact CE1-CD1 3.72Å; F32-L62 HydrophobicContact CZ-CD1 4.03Å; F32-F92 AromaticContact CD1-CD1 3.88Å; F32-F92 HydrophobicContact CD1-CD1 3.88Å; F32-F92 HydrophobicContact CD1-CE1 4.16Å; F32-F92 AromaticContact CE1-CD1 3.81Å; F32-F92 HydrophobicContact CE1-CD1 3.81Å; F32-F92 AromaticContact CE1-CE1 3.82Å; F32-F92 HydrophobicContact CE1-CE1 3.82Å; F32-E95 HydrophobicContact CD1-CB 3.77Å; F32-E95 HydrophobicContact CD2-CB 4.05Å; F32-E95 HydrophobicContact CE1-CB 3.71Å; F32-E95 HydrophobicContact CE1-CG 3.99Å; F32-E95 HydrophobicContact CE2-CB 3.99Å; F32-E95 HydrophobicContact CE2-CG 4.27Å; F32-E95 HydrophobicContact CG-CB 3.92Å; F32-E95 HydrophobicContact CZ-CB 3.8Å; F32-E95 HydrophobicContact CZ-CG 3.81Å; F32-I96 HydrophobicContact CB-CG1 3.8Å
33	N	88.2	Confident	92.7	Very high	92 Å²	92	37.2 Å²	37.2	49%	0.492	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-70.7	-27	170.8	-69.2	-28.2	0	0	0	112.2	D31 I35 Y59	D31-N33 PolarHBondContact O-N 3.39Å; D31-N33 PolarHBondContact OD1-N 3.37Å; N33-I35 VanDerWaalsContact C-N 3.32Å; N33-Y59 WeakPolarHBondContact CB-OH 3.48Å; N33-Y59 PolarHBondContact N-OH 3.32Å; N33-Y59 VanDerWaalsContact N-OH 3.14Å; N33-Y59 PolarHBondContact ND2-OH 3.37Å
34	A	86	Confident	92.6	Very high	21 Å²	21	37.1 Å²	37.1	17%	0.174	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-81.3	-10.3	176.5	0	0	0	0	0	113.4	D31 F32 P258	D31-A34 HydrophobicContact CB-CB 4.39Å; D31-A34 WeakPolarHBondContact O-CB 3.42Å; D31-A34 PolarHBondContact O-N 2.91Å; D31-A34 VanDerWaalsContact O-N 3.1Å; F32-A34 VanDerWaalsContact C-N 3.29Å; A34-P258 HydrophobicContact CB-CG 4.41Å
35	I	87.9	Confident	92.5	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-71.1	-40	-177.1	-70.9	179.8	0	0	0	111.8	A27 T29 F32 N33 E37 Y38 K39 P40 A43 I96 K99 V100	A27-I35 HydrophobicContact CB-CG1 4.38Å; T29-I35 HydrophobicContact CG2-CD1 4.05Å; T29-I35 HydrophobicContact CG2-CG1 3.58Å; F32-I35 HydrophobicContact CB-CD1 4.1Å; F32-I35 WeakPolarHBondContact O-CB 3.49Å; F32-I35 PolarHBondContact O-N 3.16Å; N33-I35 VanDerWaalsContact C-N 3.32Å; I35-E37 PolarHBondContact O-N 3.32Å; I35-Y38 PolarHBondContact O-N 2.87Å; I35-K39 PolarHBondContact O-N 2.9Å; I35-P40 HydrophobicContact CG2-CG 3.68Å; I35-P40 WeakPolarHBondContact O-CD 3.46Å; I35-A43 HydrophobicContact CD1-CB 4.01Å; I35-I96 HydrophobicContact CD1-CB 4.36Å; I35-I96 HydrophobicContact CD1-CD1 4.49Å; I35-I96 HydrophobicContact CD1-CG1 3.85Å; I35-I96 HydrophobicContact CD1-CG2 3.97Å; I35-K99 HydrophobicContact CB-CB 4.47Å; I35-K99 HydrophobicContact CG2-CB 3.92Å; I35-V100 HydrophobicContact CG2-CG1 3.62Å
36	D	83.2	Confident	92.4	Very high	73 Å²	73	34.8 Å²	34.8	39%	0.39	17%	0.174	S	C	.	.	H	α-helix	trans	-61.7	-30	-172.8	-75.8	-25.6	0	0	0	113.1	Y38 K99	D36-Y38 VanDerWaalsContact C-N 3.32Å; D36-Y38 PolarHBondContact O-N 3.14Å; D36-K99 WeakPolarHBondContact OD1-CD 3.29Å; D36-K99 IonicContact OD1-NZ 3.96Å; D36-K99 WeakPolarHBondContact OD2-CE 3.32Å; D36-K99 IonicContact OD2-NZ 2.71Å; D36-K99 PolarHBondContact OD2-NZ 3.35Å
37	E	87.3	Confident	92.3	Very high	136 Å²	136	35 Å²	35	64%	0.636	17%	0.174	S	C	*	.	H	α-helix	trans	-60.3	-41.9	-177.4	-175	174.6	-167.6	0	0	111.9	I35	I35-E37 PolarHBondContact O-N 3.32Å
38	Y	87.9	Confident	92.3	Very high	19 Å²	19	36.6 Å²	36.6	8%	0.075	19%	0.186	C	C	.	.	H	α-helix	trans	-103.7	-3.2	-171.3	-54.1	-72.1	0	0	0	113.8	L16 K20 I35 D36 L261 A262	L16-Y38 HydrophobicContact CD2-CD1 3.86Å; K20-Y38 PolarHBondContact NZ-O 3.03Å; I35-Y38 PolarHBondContact O-N 2.87Å; D36-Y38 VanDerWaalsContact C-N 3.32Å; D36-Y38 PolarHBondContact O-N 3.14Å; Y38-L261 HydrophobicContact CD1-CB 3.79Å; Y38-L261 HydrophobicContact CD2-CB 3.91Å; Y38-L261 HydrophobicContact CD2-CD1 3.84Å; Y38-L261 HydrophobicContact CE1-CB 3.95Å; Y38-L261 HydrophobicContact CE2-CB 4.09Å; Y38-L261 HydrophobicContact CG-CB 3.77Å; Y38-L261 HydrophobicContact CG-CD1 3.93Å; Y38-L261 HydrophobicContact CG-CG 4.37Å; Y38-A262 VanDerWaalsContact OH-CB 3.32Å; Y38-A262 WeakPolarHBondContact OH-CB 3.46Å
39	K	89.3	Confident	92.4	Very high	171 Å²	171	37 Å²	37	74%	0.743	19%	0.188	S	C	*	.			trans	44	59.6	179.1	-56.3	-175.9	-179.2	-175	0	112.8	I35	I35-K39 PolarHBondContact O-N 2.9Å
40	P	92.5	Very high	92.5	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.032	19%	0.185	C	C	.	.			trans	-72.3	160.6	177.9	34.9	-37.9	0	0	0	111.1	A27 I35 V100	A27-P40 HydrophobicContact CB-CB 3.96Å; A27-P40 HydrophobicContact CB-CG 3.71Å; I35-P40 HydrophobicContact CG2-CG 3.68Å; I35-P40 WeakPolarHBondContact O-CD 3.46Å; P40-V100 HydrophobicContact CG-CG1 4.05Å
41	Q	96.1	Very high	92.9	Very high	84 Å²	84	36.9 Å²	36.9	39%	0.393	19%	0.186	S	C	.	.	S	Bend	trans	-77.2	-49.8	176.9	174.8	58.1	45.8	0	0	111.5	V24 V25 G102	V24-Q41 HydrophobicContact CG1-CB 3.41Å; V24-Q41 VanDerWaalsContact CG1-CB 3.41Å; V24-Q41 HydrophobicContact CG1-CG 3.62Å; V25-Q41 PolarHBondContact O-N 3.05Å; Q41-G102 WeakPolarHBondContact O-CA 3.38Å; Q41-G102 PolarHBondContact O-N 3.42Å
42	D	97.3	Very high	93	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.037	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	171.2	178.4	-64.3	-11.8	0	0	0	109	V26 A27 G102 R103	V26-D42 WeakPolarHBondContact CA-O 3.24Å; V26-D42 HydrophobicContact CB-CB 4.43Å; V26-D42 HydrophobicContact CG1-CB 3.94Å; V26-D42 WeakPolarHBondContact CG1-O 3.45Å; V26-D42 HydrophobicContact CG2-CB 3.82Å; A27-D42 PolarHBondContact N-O 2.88Å; A27-D42 VanDerWaalsContact N-O 3.15Å; D42-G102 VanDerWaalsContact OD1-CA 3.24Å; D42-G102 WeakPolarHBondContact OD1-CA 3.35Å; D42-R103 CarbonylContact C-O 3.51Å; D42-R103 VanDerWaalsContact CA-O 3.29Å; D42-R103 WeakPolarHBondContact CA-O 3.41Å; D42-R103 WeakPolarHBondContact CB-O 3.49Å; D42-R103 PolarHBondContact OD1-N 3.14Å; D42-R103 IonicContact OD1-NE 3.99Å; D42-R103 IonicContact OD2-CZ 3.87Å; D42-R103 IonicContact OD2-NE 3.09Å; D42-R103 PolarHBondContact OD2-NE 3.1Å; D42-R103 VanDerWaalsContact OD2-NE 3.09Å; D42-R103 IonicContact OD2-NH2 2.93Å; D42-R103 PolarHBondContact OD2-NH2 2.93Å
43	A	97.3	Very high	93.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.5	167.4	0	0	0	0	0	112.4	A27 I35 I96 V100 R103 V104 S105	A27-A43 CarbonylContact O-C 3.55Å; A27-A43 VanDerWaalsContact O-CA 3.28Å; A27-A43 WeakPolarHBondContact O-CA 3.3Å; I35-A43 HydrophobicContact CD1-CB 4.01Å; A43-I96 HydrophobicContact CB-CG2 3.43Å; A43-I96 VanDerWaalsContact CB-CG2 3.43Å; A43-V100 HydrophobicContact CB-CG1 4.18Å; A43-R103 PolarHBondContact N-O 3.3Å; A43-V104 CarbonylContact O-C 3.54Å; A43-V104 WeakPolarHBondContact O-CA 3.32Å; A43-S105 PolarHBondContact O-N 3.18Å
44	T	96.2	Very high	93.8	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.7	176.5	54.9	0	0	0	0	111.6	V26 A27 D28 T29 M235 T255	V26-T44 HydrophobicContact CG1-CG2 3.94Å; A27-T44 PolarHBondContact O-N 2.98Å; D28-T44 WeakPolarHBondContact CA-OG1 3.41Å; D28-T44 PolarHBondContact OD1-OG1 3.04Å; T29-T44 PolarHBondContact N-O 3.35Å; T29-T44 VanDerWaalsContact N-O 3.16Å; T44-M235 HydrophobicContact CG2-CE 3.55Å; T44-M235 HydrophobicContact CG2-SD 4.43Å; T44-T255 PolarHBondContact OG1-OG1 2.8Å
45	T	96.9	Very high	94.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.			trans	-114.5	169.9	165	72.6	0	0	0	0	110.4	I50 I96 S105 K143	T45-I50 HydrophobicContact CG2-CD1 4.01Å; T45-I96 HydrophobicContact CG2-CD1 3.39Å; T45-S105 PolarHBondContact N-O 2.88Å; T45-S105 PolarHBondContact OG1-O 2.91Å; T45-K143 PolarHBondContact O-NZ 2.7Å; T45-K143 VanDerWaalsContact O-NZ 3.1Å
46	N	95.6	Very high	94.7	Very high	16 Å²	16	40.5 Å²	40.5	9%	0.086	20%	0.204	C	C	.	.			trans	-157	169.8	172	63.1	55.7	0	0	0	108.3	S48 L49 I50 E107 F316	N46-S48 VanDerWaalsContact C-N 3.29Å; N46-S48 PolarHBondContact O-N 3.26Å; N46-S48 WeakPolarHBondContact OD1-CB 3.24Å; N46-S48 PolarHBondContact OD1-N 3.44Å; N46-L49 VanDerWaalsContact ND2-CD1 3.32Å; N46-L49 WeakPolarHBondContact ND2-CD1 3.48Å; N46-L49 PolarHBondContact O-N 3.09Å; N46-L49 VanDerWaalsContact O-N 3.1Å; N46-L49 WeakPolarHBondContact OD1-CG 3.43Å; N46-L49 PolarHBondContact OD1-N 2.85Å; N46-I50 PolarHBondContact O-N 3.36Å; N46-E107 WeakPolarHBondContact CB-OE2 3.22Å; N46-F316 HydrophobicContact CB-CE1 4.04Å; N46-F316 HydrophobicContact CB-CZ 4.05Å
47	P	96.1	Very high	95.3	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.019	22%	0.222	C	C	.	.	H	α-helix	trans	-56.3	-38.6	-177	-31	39.9	0	0	0	114.3	L51 F89 F316	P47-L51 VanDerWaalsContact O-CB 3.3Å; P47-L51 WeakPolarHBondContact O-CB 3.31Å; P47-L51 PolarHBondContact O-N 2.99Å; P47-F89 HydrophobicContact CB-CZ 4.39Å; P47-F89 HydrophobicContact CG-CE1 4.39Å; P47-F89 HydrophobicContact CG-CZ 4.44Å; P47-F316 HydrophobicContact CB-CB 4.29Å; P47-F316 HydrophobicContact CB-CD1 4.34Å; P47-F316 HydrophobicContact CG-CB 4.03Å; P47-F316 HydrophobicContact CG-CD1 4.36Å; P47-F316 HydrophobicContact CG-CG 4.24Å
48	S	96.3	Very high	95.7	Very high	36 Å²	36	38.7 Å²	38.7	25%	0.252	21%	0.213	S	C	.	.	H	α-helix	trans	-65.4	-41.4	177.7	-50.1	0	0	0	0	112.1	N46 L51 A52 D319	N46-S48 VanDerWaalsContact C-N 3.29Å; N46-S48 PolarHBondContact O-N 3.26Å; N46-S48 WeakPolarHBondContact OD1-CB 3.24Å; N46-S48 PolarHBondContact OD1-N 3.44Å; S48-L51 PolarHBondContact O-N 3.28Å; S48-A52 WeakPolarHBondContact O-CB 3.17Å; S48-A52 PolarHBondContact O-N 3.12Å; S48-D319 VanDerWaalsContact CB-OD2 3.29Å; S48-D319 WeakPolarHBondContact CB-OD2 3.06Å; S48-D319 PolarHBondContact OG-OD2 3.06Å
49	L	97.1	Very high	96.2	Very high	39 Å²	39	37.8 Å²	37.8	20%	0.204	21%	0.21	C	C	.	.	H	α-helix	trans	-68.2	-41.6	178.7	-69.8	175.9	0	0	0	112	D28 N46 A52 A53	D28-L49 WeakPolarHBondContact OD1-CD1 3.33Å; N46-L49 VanDerWaalsContact ND2-CD1 3.32Å; N46-L49 WeakPolarHBondContact ND2-CD1 3.48Å; N46-L49 PolarHBondContact O-N 3.09Å; N46-L49 VanDerWaalsContact O-N 3.1Å; N46-L49 WeakPolarHBondContact OD1-CG 3.43Å; N46-L49 PolarHBondContact OD1-N 2.85Å; L49-A52 PolarHBondContact O-N 3.19Å; L49-A53 WeakPolarHBondContact O-CB 3.34Å; L49-A53 PolarHBondContact O-N 3.28Å
50	I	98	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.9	-41.9	175.9	-61.9	-61.1	0	0	0	110.6	T45 N46 A52 A53 A54 F89 F92 L323	T45-I50 HydrophobicContact CG2-CD1 4.01Å; N46-I50 PolarHBondContact O-N 3.36Å; I50-A52 VanDerWaalsContact C-N 3.33Å; I50-A52 PolarHBondContact O-N 3.38Å; I50-A53 PolarHBondContact O-N 3.46Å; I50-A54 WeakPolarHBondContact O-CB 3.43Å; I50-A54 PolarHBondContact O-N 3.37Å; I50-F89 HydrophobicContact CB-CD2 4.49Å; I50-F89 HydrophobicContact CB-CE1 4.42Å; I50-F89 HydrophobicContact CB-CE2 4.06Å; I50-F89 HydrophobicContact CB-CZ 4.02Å; I50-F89 HydrophobicContact CG1-CD1 4.13Å; I50-F89 HydrophobicContact CG1-CD2 4.47Å; I50-F89 HydrophobicContact CG1-CE1 4.01Å; I50-F89 HydrophobicContact CG1-CE2 4.36Å; I50-F89 HydrophobicContact CG1-CG 4.36Å; I50-F89 HydrophobicContact CG1-CZ 4.13Å; I50-F89 HydrophobicContact CG2-CD2 3.84Å; I50-F89 HydrophobicContact CG2-CE2 3.64Å; I50-F89 HydrophobicContact CG2-CG 4.49Å; I50-F89 HydrophobicContact CG2-CZ 4.13Å; I50-F92 HydrophobicContact CD1-CB 3.66Å; I50-F92 HydrophobicContact CD1-CD1 4.43Å; I50-F92 HydrophobicContact CD1-CD2 4.05Å; I50-F92 HydrophobicContact CD1-CG 3.8Å; I50-F92 HydrophobicContact CG2-CD2 4.21Å; I50-F92 HydrophobicContact CG2-CE2 4.43Å; I50-L323 HydrophobicContact CG2-CD2 3.89Å
51	L	97.8	Very high	96.7	Very high	11 Å²	11	35.6 Å²	35.6	6%	0.058	20%	0.201	C	C	.	.	H	α-helix	trans	-58.8	-44.3	174.5	173.4	63.7	0	0	0	111.9	P47 S48 K55 D319 K322 L323	P47-L51 VanDerWaalsContact O-CB 3.3Å; P47-L51 WeakPolarHBondContact O-CB 3.31Å; P47-L51 PolarHBondContact O-N 2.99Å; S48-L51 PolarHBondContact O-N 3.28Å; L51-K55 WeakPolarHBondContact O-CG 3.36Å; L51-K55 PolarHBondContact O-N 3.37Å; L51-D319 HydrophobicContact CD2-CB 3.79Å; L51-K322 HydrophobicContact CD1-CB 4.23Å; L51-K322 HydrophobicContact CD2-CB 3.98Å; L51-K322 HydrophobicContact CD2-CD 3.97Å; L51-L323 HydrophobicContact CD1-CB 3.94Å; L51-L323 HydrophobicContact CD1-CD1 4.13Å
52	A	97.3	Very high	96.8	Very high	59 Å²	59	31.8 Å²	31.8	49%	0.488	18%	0.183	S	C	.	.	H	α-helix	trans	-63.8	-47.7	177.6	0	0	0	0	0	111.3	S48 L49 I50 K55	S48-A52 WeakPolarHBondContact O-CB 3.17Å; S48-A52 PolarHBondContact O-N 3.12Å; L49-A52 PolarHBondContact O-N 3.19Å; I50-A52 VanDerWaalsContact C-N 3.33Å; I50-A52 PolarHBondContact O-N 3.38Å; A52-K55 PolarHBondContact O-N 3.46Å
53	A	97	Very high	96.8	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-65.6	-41.2	-179.9	0	0	0	0	0	112.3	L49 I50 K55 M56 Y59 F92	L49-A53 WeakPolarHBondContact O-CB 3.34Å; L49-A53 PolarHBondContact O-N 3.28Å; I50-A53 PolarHBondContact O-N 3.46Å; A53-K55 PolarHBondContact O-N 3.15Å; A53-K55 VanDerWaalsContact O-N 3.09Å; A53-M56 VanDerWaalsContact O-CB 3.29Å; A53-M56 WeakPolarHBondContact O-CB 3.46Å; A53-M56 PolarHBondContact O-N 3.43Å; A53-Y59 HydrophobicContact CB-CD2 4.04Å; A53-Y59 HydrophobicContact CB-CE2 4.37Å; A53-Y59 WeakPolarHBondContact O-CD2 3.41Å; A53-F92 HydrophobicContact CB-CD1 4.32Å; A53-F92 HydrophobicContact CB-CE1 3.5Å; A53-F92 HydrophobicContact CB-CZ 3.67Å
54	A	96.8	Very high	96.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-16.5	179.8	0	0	0	0	0	113.8	I50 Q60 V63 L88 F92 L323 M326	I50-A54 WeakPolarHBondContact O-CB 3.43Å; I50-A54 PolarHBondContact O-N 3.37Å; A54-Q60 PolarHBondContact O-NE2 3.46Å; A54-V63 HydrophobicContact CB-CG2 4.01Å; A54-L88 HydrophobicContact CB-CD2 4.23Å; A54-F92 HydrophobicContact CB-CE2 4.4Å; A54-L323 HydrophobicContact CB-CD1 3.81Å; A54-M326 HydrophobicContact CB-CE 4Å
55	K	96.6	Very high	96.8	Very high	124 Å²	124	39.4 Å²	39.4	54%	0.539	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-12.7	172.3	-70.3	174.2	178.3	-179.6	0	113.5	L51 A52 A53 M326	L51-K55 WeakPolarHBondContact O-CG 3.36Å; L51-K55 PolarHBondContact O-N 3.37Å; A52-K55 PolarHBondContact O-N 3.46Å; A53-K55 PolarHBondContact O-N 3.15Å; A53-K55 VanDerWaalsContact O-N 3.09Å; K55-M326 HydrophobicContact CG-SD 4.02Å
56	M	96.3	Very high	96.8	Very high	61 Å²	61	39.4 Å²	39.4	30%	0.3	22%	0.221	S	C	.	.	S	Bend	trans	-75	134.8	-177.2	-62.7	173.7	66.6	0	0	110.2	D31 A53 A58 Y59 Q60	D31-M56 HydrophobicContact CB-SD 4.45Å; A53-M56 VanDerWaalsContact O-CB 3.29Å; A53-M56 WeakPolarHBondContact O-CB 3.46Å; A53-M56 PolarHBondContact O-N 3.43Å; M56-A58 PolarHBondContact O-N 3.04Å; M56-Y59 HydrophobicContact CB-CD2 3.81Å; M56-Y59 HydrophobicContact CB-CE2 4.34Å; M56-Y59 HydrophobicContact CB-CG 4.5Å; M56-Y59 HydrophobicContact CE-CD2 4.44Å; M56-Y59 HydrophobicContact CE-CE2 3.82Å; M56-Y59 HydrophobicContact CG-CD2 4.33Å; M56-Y59 PolarHBondContact O-N 3Å; M56-Y59 HydrophobicContact SD-CD2 3.85Å; M56-Y59 HydrophobicContact SD-CE2 3.57Å; M56-Y59 VanDerWaalsContact SD-CE2 3.57Å; M56-Q60 PolarHBondContact O-N 2.89Å; M56-Q60 PolarHBondContact O-NE2 2.95Å
57	P	96.3	Very high	96.9	Very high	118 Å²	118	38.7 Å²	38.7	77%	0.766	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-54.4	-37.4	176.2	-29.1	36.3	0	0	0	113.2	Y59 Q60	P57-Y59 PolarHBondContact O-N 2.81Å; P57-Y59 VanDerWaalsContact O-N 3.14Å; P57-Q60 PolarHBondContact O-N 3.22Å
58	A	95.8	Very high	97	Very high	53 Å²	53	45.2 Å²	45.2	44%	0.438	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-59	-26	179.3	0	0	0	0	0	113.6	M56 H61	M56-A58 PolarHBondContact O-N 3.04Å; A58-H61 PolarHBondContact O-CE1 3.38Å; A58-H61 PolarHBondContact O-ND1 3.2Å
59	Y	96.8	Very high	97	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-110.9	5.2	-172.4	-54.4	-38.8	0	0	0	114	D31 F32 N33 A53 M56 P57 H61 L62 V63 F92	D31-Y59 HydrophobicContact CB-CE2 4.44Å; D31-Y59 PolarHBondContact OD1-OH 3.28Å; F32-Y59 HydrophobicContact CD1-CE1 4.07Å; F32-Y59 HydrophobicContact CD2-CE1 4.11Å; F32-Y59 AromaticContact CE1-CD1 3.57Å; F32-Y59 HydrophobicContact CE1-CD1 3.57Å; F32-Y59 AromaticContact CE1-CE1 3.43Å; F32-Y59 HydrophobicContact CE1-CE1 3.43Å; F32-Y59 VanDerWaalsContact CE1-CE1 3.43Å; F32-Y59 HydrophobicContact CE1-CG 4.21Å; F32-Y59 AromaticContact CE1-CZ 3.94Å; F32-Y59 HydrophobicContact CE2-CD1 4.13Å; F32-Y59 AromaticContact CE2-CE1 3.47Å; F32-Y59 HydrophobicContact CE2-CE1 3.47Å; F32-Y59 VanDerWaalsContact CE2-CE1 3.47Å; F32-Y59 HydrophobicContact CG-CE1 4.39Å; F32-Y59 AromaticContact CZ-CD1 3.33Å; F32-Y59 HydrophobicContact CZ-CD1 3.33Å; F32-Y59 AromaticContact CZ-CE1 3.11Å; F32-Y59 HydrophobicContact CZ-CE1 3.11Å; F32-Y59 HydrophobicContact CZ-CG 4.37Å; F32-Y59 AromaticContact CZ-CZ 3.99Å; F32-Y59 PolarHBondContact N-OH 3.03Å; N33-Y59 WeakPolarHBondContact CB-OH 3.48Å; N33-Y59 PolarHBondContact N-OH 3.32Å; N33-Y59 VanDerWaalsContact N-OH 3.14Å; N33-Y59 PolarHBondContact ND2-OH 3.37Å; A53-Y59 HydrophobicContact CB-CD2 4.04Å; A53-Y59 HydrophobicContact CB-CE2 4.37Å; A53-Y59 WeakPolarHBondContact O-CD2 3.41Å; M56-Y59 HydrophobicContact CB-CD2 3.81Å; M56-Y59 HydrophobicContact CB-CE2 4.34Å; M56-Y59 HydrophobicContact CB-CG 4.5Å; M56-Y59 HydrophobicContact CE-CD2 4.44Å; M56-Y59 HydrophobicContact CE-CE2 3.82Å; M56-Y59 HydrophobicContact CG-CD2 4.33Å; M56-Y59 PolarHBondContact O-N 3Å; M56-Y59 HydrophobicContact SD-CD2 3.85Å; M56-Y59 HydrophobicContact SD-CE2 3.57Å; M56-Y59 VanDerWaalsContact SD-CE2 3.57Å; P57-Y59 PolarHBondContact O-N 2.81Å; P57-Y59 VanDerWaalsContact O-N 3.14Å; Y59-H61 PolarHBondContact O-N 2.96Å; Y59-L62 PolarHBondContact O-N 3.28Å; Y59-V63 PolarHBondContact O-N 3.14Å; Y59-F92 AromaticContact CD2-CE1 3.9Å; Y59-F92 HydrophobicContact CD2-CE1 3.9Å; Y59-F92 HydrophobicContact CD2-CZ 4.22Å; Y59-F92 AromaticContact CG-CE1 3.97Å; Y59-F92 HydrophobicContact CG-CE1 3.97Å; Y59-F92 HydrophobicContact CG-CZ 4.15Å
60	Q	96.3	Very high	97	Very high	42 Å²	42	44.3 Å²	44.3	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-58.7	-33.6	178.8	-65.1	-54.6	-70.1	0	0	112.6	A54 M56 P57 L62 V63 D64	A54-Q60 PolarHBondContact O-NE2 3.46Å; M56-Q60 PolarHBondContact O-N 2.89Å; M56-Q60 PolarHBondContact O-NE2 2.95Å; P57-Q60 PolarHBondContact O-N 3.22Å; Q60-L62 PolarHBondContact O-N 3.39Å; Q60-V63 WeakPolarHBondContact O-CB 3.42Å; Q60-V63 PolarHBondContact O-N 3.4Å; Q60-D64 VanDerWaalsContact O-CG 3.23Å; Q60-D64 PolarHBondContact O-N 3.23Å
61	H	96.7	Very high	96.9	Very high	88 Å²	88	46.6 Å²	46.6	41%	0.407	25%	0.245	S	C	.	.	H	α-helix	trans	-58.3	-34.6	176.5	70.1	-83.6	0	0	0	113.1	A58 Y59 Q65	A58-H61 PolarHBondContact O-CE1 3.38Å; A58-H61 PolarHBondContact O-ND1 3.2Å; Y59-H61 PolarHBondContact O-N 2.96Å; H61-Q65 WeakPolarHBondContact O-CB 3.38Å; H61-Q65 WeakPolarHBondContact O-CG 3.36Å; H61-Q65 PolarHBondContact O-N 2.9Å; H61-Q65 VanDerWaalsContact O-N 3.09Å
62	L	97.6	Very high	96.8	Very high	3 Å²	3	50 Å²	50	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-71.6	-39.2	175.3	-61.8	-178.8	0	0	0	111.5	F32 Y59 Q60 Q65 A66 L88 F92 E95	F32-L62 HydrophobicContact CE1-CD1 3.72Å; F32-L62 HydrophobicContact CZ-CD1 4.03Å; Y59-L62 PolarHBondContact O-N 3.28Å; Q60-L62 PolarHBondContact O-N 3.39Å; L62-Q65 PolarHBondContact O-N 3.05Å; L62-A66 WeakPolarHBondContact O-CB 3.36Å; L62-A66 PolarHBondContact O-N 2.47Å; L62-L88 HydrophobicContact CB-CD1 4.4Å; L62-F92 HydrophobicContact CD1-CD1 4.2Å; L62-F92 HydrophobicContact CD1-CD2 4.42Å; L62-F92 HydrophobicContact CD1-CE1 4.13Å; L62-F92 HydrophobicContact CD1-CE2 4.38Å; L62-F92 HydrophobicContact CD1-CG 4.34Å; L62-F92 HydrophobicContact CD1-CZ 4.23Å; L62-E95 HydrophobicContact CD1-CG 3.99Å; L62-E95 HydrophobicContact CD2-CG 4.17Å
63	V	97.7	Very high	96.6	Very high	1 Å²	1	51 Å²	51	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-48.1	176	-178.9	0	0	0	0	110.1	A54 Y59 Q60 Q65 A66 I67 L88 M326 K330	A54-V63 HydrophobicContact CB-CG2 4.01Å; Y59-V63 PolarHBondContact O-N 3.14Å; Q60-V63 WeakPolarHBondContact O-CB 3.42Å; Q60-V63 PolarHBondContact O-N 3.4Å; V63-Q65 VanDerWaalsContact C-N 3.34Å; V63-Q65 PolarHBondContact O-N 3.45Å; V63-A66 PolarHBondContact O-N 3.04Å; V63-I67 HydrophobicContact CG1-CD1 3.97Å; V63-I67 WeakPolarHBondContact O-CG1 3.5Å; V63-I67 PolarHBondContact O-N 3.04Å; V63-L88 HydrophobicContact CG2-CD1 4.07Å; V63-M326 HydrophobicContact CG1-CE 4.28Å; V63-K330 HydrophobicContact CG1-CD 3.98Å
64	D	96.7	Very high	96.4	Very high	62 Å²	62	52.2 Å²	52.2	33%	0.332	29%	0.285	S	S	.	.	H	α-helix	trans	-64.9	-38.7	-179.3	-60.7	-22.7	0	0	0	111.7	Q60 I67 K68	Q60-D64 VanDerWaalsContact O-CG 3.23Å; Q60-D64 PolarHBondContact O-N 3.23Å; D64-I67 PolarHBondContact O-N 3.24Å; D64-K68 WeakPolarHBondContact O-CG 3.36Å; D64-K68 PolarHBondContact O-N 2.93Å
65	Q	96.8	Very high	96.3	Very high	108 Å²	108	54.6 Å²	54.6	51%	0.505	31%	0.31	S	S	.	.	H	α-helix	trans	-65.1	-43	174.1	-75.5	172.5	13.7	0	0	112.1	H61 L62 V63 I67 K68 Y69	H61-Q65 WeakPolarHBondContact O-CB 3.38Å; H61-Q65 WeakPolarHBondContact O-CG 3.36Å; H61-Q65 PolarHBondContact O-N 2.9Å; H61-Q65 VanDerWaalsContact O-N 3.09Å; L62-Q65 PolarHBondContact O-N 3.05Å; V63-Q65 VanDerWaalsContact C-N 3.34Å; V63-Q65 PolarHBondContact O-N 3.45Å; Q65-I67 VanDerWaalsContact C-N 3.34Å; Q65-K68 PolarHBondContact O-N 3.04Å; Q65-Y69 WeakPolarHBondContact O-CB 3.49Å; Q65-Y69 PolarHBondContact O-N 3.2Å
66	A	97.9	Very high	96.2	Very high	0 Å²	0	52 Å²	52	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-39.9	176.8	0	0	0	0	0	111.7	L62 V63 Y69 G70 T84 K87 L88	L62-A66 WeakPolarHBondContact O-CB 3.36Å; L62-A66 PolarHBondContact O-N 2.47Å; V63-A66 PolarHBondContact O-N 3.04Å; A66-Y69 WeakPolarHBondContact O-CB 3.35Å; A66-Y69 PolarHBondContact O-N 3.49Å; A66-G70 PolarHBondContact O-N 3.44Å; A66-T84 HydrophobicContact CB-CG2 4.06Å; A66-K87 HydrophobicContact CB-CB 4.22Å; A66-K87 HydrophobicContact CB-CG 4.19Å; A66-L88 HydrophobicContact CB-CB 3.84Å; A66-L88 HydrophobicContact CB-CD1 4.15Å
67	I	97.7	Very high	96.1	Very high	1 Å²	1	53 Å²	53	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-48	174.9	-76.8	170.8	0	0	0	110.8	V63 D64 Q65 Y69 G70 I71 T84 I327 K330 M331 V334	V63-I67 HydrophobicContact CG1-CD1 3.97Å; V63-I67 WeakPolarHBondContact O-CG1 3.5Å; V63-I67 PolarHBondContact O-N 3.04Å; D64-I67 PolarHBondContact O-N 3.24Å; Q65-I67 VanDerWaalsContact C-N 3.34Å; I67-Y69 VanDerWaalsContact C-N 3.27Å; I67-Y69 PolarHBondContact O-N 3.37Å; I67-G70 PolarHBondContact O-N 3.24Å; I67-I71 HydrophobicContact CG2-CD1 3.79Å; I67-I71 HydrophobicContact CG2-CG1 4.49Å; I67-I71 WeakPolarHBondContact O-CG1 3.42Å; I67-I71 PolarHBondContact O-N 3.02Å; I67-T84 HydrophobicContact CB-CG2 4.45Å; I67-T84 HydrophobicContact CG1-CG2 3.79Å; I67-I327 HydrophobicContact CG1-CG2 4.33Å; I67-K330 HydrophobicContact CD1-CB 3.52Å; I67-K330 HydrophobicContact CD1-CD 4.22Å; I67-M331 HydrophobicContact CB-CG 4.3Å; I67-M331 HydrophobicContact CD1-CG 4.3Å; I67-M331 HydrophobicContact CG1-CG 3.9Å; I67-M331 HydrophobicContact CG2-CG 3.68Å; I67-V334 HydrophobicContact CG2-CG2 4.25Å
68	K	96.6	Very high	96	Very high	140 Å²	140	53 Å²	53	61%	0.609	30%	0.298	S	S	*	.	H	α-helix	trans	-58.7	-41.8	176.7	-74.5	174.8	-176.1	179	0	111.5	D64 Q65 A72	D64-K68 WeakPolarHBondContact O-CG 3.36Å; D64-K68 PolarHBondContact O-N 2.93Å; Q65-K68 PolarHBondContact O-N 3.04Å; K68-A72 VanDerWaalsContact O-CB 3.25Å; K68-A72 WeakPolarHBondContact O-CB 3.4Å; K68-A72 PolarHBondContact O-N 3.14Å
69	Y	97.4	Very high	96.1	Very high	57 Å²	57	55.3 Å²	55.3	22%	0.224	30%	0.3	C	S	.	.	H	α-helix	trans	-61.2	-48.6	175.4	177.1	-93	0	0	0	112	Q65 A66 I67 I71 A72 N73 K87 L129	Q65-Y69 WeakPolarHBondContact O-CB 3.49Å; Q65-Y69 PolarHBondContact O-N 3.2Å; A66-Y69 WeakPolarHBondContact O-CB 3.35Å; A66-Y69 PolarHBondContact O-N 3.49Å; I67-Y69 VanDerWaalsContact C-N 3.27Å; I67-Y69 PolarHBondContact O-N 3.37Å; Y69-I71 PolarHBondContact O-N 2.87Å; Y69-A72 PolarHBondContact O-N 3.38Å; Y69-N73 WeakPolarHBondContact CE1-ND2 3.22Å; Y69-N73 PolarHBondContact O-N 3.45Å; Y69-N73 VanDerWaalsContact O-N 3.12Å; Y69-N73 PolarHBondContact OH-ND2 3.15Å; Y69-K87 HydrophobicContact CD1-CB 3.42Å; Y69-K87 VanDerWaalsContact CD1-CB 3.42Å; Y69-K87 HydrophobicContact CD1-CD 3.97Å; Y69-K87 HydrophobicContact CD1-CG 3.58Å; Y69-K87 HydrophobicContact CD2-CD 4.19Å; Y69-K87 HydrophobicContact CD2-CG 4.38Å; Y69-K87 HydrophobicContact CE1-CB 3.86Å; Y69-K87 HydrophobicContact CE1-CD 4.14Å; Y69-K87 HydrophobicContact CE1-CG 4.18Å; Y69-K87 HydrophobicContact CE2-CD 4.38Å; Y69-K87 HydrophobicContact CG-CB 4.08Å; Y69-K87 HydrophobicContact CG-CD 3.98Å; Y69-K87 HydrophobicContact CG-CG 3.69Å; Y69-L129 HydrophobicContact CE1-CD2 4.32Å; Y69-L129 VanDerWaalsContact OH-CD2 3.24Å; Y69-L129 WeakPolarHBondContact OH-CD2 3.39Å
70	G	96.8	Very high	96.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.4	-44.4	178.5	0	0	0	0	0	112.9	A66 I67 N73 Q80 T84	A66-G70 PolarHBondContact O-N 3.44Å; I67-G70 PolarHBondContact O-N 3.24Å; G70-N73 PolarHBondContact O-N 3.47Å; G70-Q80 WeakPolarHBondContact O-CG 3.49Å; G70-T84 WeakPolarHBondContact CA-OG1 3.38Å
71	I	95.5	Very high	96.1	Very high	48 Å²	48	54.4 Å²	54.4	25%	0.246	30%	0.296	C	S	.	.	H	α-helix	trans	-62.9	-43.7	176	-66.6	170.6	0	0	0	111.2	I67 Y69 N73 G74 M331 V334 K335	I67-I71 HydrophobicContact CG2-CD1 3.79Å; I67-I71 HydrophobicContact CG2-CG1 4.49Å; I67-I71 WeakPolarHBondContact O-CG1 3.42Å; I67-I71 PolarHBondContact O-N 3.02Å; Y69-I71 PolarHBondContact O-N 2.87Å; I71-N73 VanDerWaalsContact C-N 3.27Å; I71-N73 PolarHBondContact O-N 3.4Å; I71-G74 PolarHBondContact O-N 3.02Å; I71-G74 VanDerWaalsContact O-N 3.09Å; I71-M331 HydrophobicContact CG1-CE 3.9Å; I71-V334 HydrophobicContact CD1-CG1 4.09Å; I71-K335 HydrophobicContact CD1-CG 4.21Å
72	A	95.6	Very high	96.2	Very high	83 Å²	83	51.8 Å²	51.8	69%	0.686	29%	0.289	S	S	*	.	H	α-helix	trans	-65.6	-28.8	-177.8	0	0	0	0	0	113.3	K68 Y69 G74	K68-A72 VanDerWaalsContact O-CB 3.25Å; K68-A72 WeakPolarHBondContact O-CB 3.4Å; K68-A72 PolarHBondContact O-N 3.14Å; Y69-A72 PolarHBondContact O-N 3.38Å; A72-G74 PolarHBondContact O-N 2.96Å
73	N	93.9	Very high	96.2	Very high	79 Å²	79	53 Å²	53	42%	0.422	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-7	174.8	-78.6	-19.4	0	0	0	113.8	Y69 G70 I71	Y69-N73 WeakPolarHBondContact CE1-ND2 3.22Å; Y69-N73 PolarHBondContact O-N 3.45Å; Y69-N73 VanDerWaalsContact O-N 3.12Å; Y69-N73 PolarHBondContact OH-ND2 3.15Å; G70-N73 PolarHBondContact O-N 3.47Å; I71-N73 VanDerWaalsContact C-N 3.27Å; I71-N73 PolarHBondContact O-N 3.4Å
74	G	91.6	Very high	96.2	Very high	27 Å²	27	53 Å²	53	28%	0.278	30%	0.296	S	S	.	.			trans	65.3	-157	177.6	0	0	0	0	0	113.1	I71 A72 Q80	I71-G74 PolarHBondContact O-N 3.02Å; I71-G74 VanDerWaalsContact O-N 3.09Å; A72-G74 PolarHBondContact O-N 2.96Å; G74-Q80 WeakPolarHBondContact O-CG 3.44Å
75	G	94.8	Very high	96.3	Very high	51 Å²	51	50.7 Å²	50.7	53%	0.526	28%	0.283	S	S	.	.	S	Bend	trans	83.7	-170.5	-177.2	0	0	0	0	0	114	E79 Q80	G75-E79 WeakPolarHBondContact CA-OE2 3.21Å; G75-Q80 PolarHBondContact O-NE2 3.17Å
76	T	96	Very high	96.4	Very high	70 Å²	70	46.2 Å²	46.2	43%	0.429	26%	0.263	S	S	.	.			trans	-66.3	166.7	176.7	81.8	0	0	0	0	111.3	E78 E79 Q80	T76-E78 VanDerWaalsContact CB-OE2 3.31Å; T76-E78 WeakPolarHBondContact CB-OE2 3.47Å; T76-E78 PolarHBondContact O-N 3.15Å; T76-E78 PolarHBondContact OG1-N 3.31Å; T76-E78 PolarHBondContact OG1-OE2 3.45Å; T76-E79 PolarHBondContact N-OE2 2.77Å; T76-E79 PolarHBondContact O-N 3.42Å; T76-E79 PolarHBondContact OG1-N 3.09Å; T76-Q80 VanDerWaalsContact O-CG 3.31Å; T76-Q80 WeakPolarHBondContact O-CG 3.2Å; T76-Q80 PolarHBondContact O-N 3.35Å
77	E	94.3	Very high	96.4	Very high	80 Å²	80	48.1 Å²	48.1	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	-59.6	-38.9	175.8	-171.9	-177.6	147.5	0	0	111.5	Q80 V81	E77-Q80 PolarHBondContact O-N 2.93Å; E77-V81 HydrophobicContact CG-CG2 4.48Å; E77-V81 WeakPolarHBondContact O-CB 3.46Å; E77-V81 VanDerWaalsContact O-CG2 3.22Å; E77-V81 WeakPolarHBondContact O-CG2 3.24Å; E77-V81 PolarHBondContact O-N 3.34Å
78	E	94.4	Very high	96.4	Very high	118 Å²	118	48 Å²	48	55%	0.551	27%	0.271	S	S	*	.	H	α-helix	trans	-61.8	-43.3	176.1	-60.9	73.4	-157.6	0	0	111.7	T76 V81 A82	T76-E78 VanDerWaalsContact CB-OE2 3.31Å; T76-E78 WeakPolarHBondContact CB-OE2 3.47Å; T76-E78 PolarHBondContact O-N 3.15Å; T76-E78 PolarHBondContact OG1-N 3.31Å; T76-E78 PolarHBondContact OG1-OE2 3.45Å; E78-V81 PolarHBondContact O-N 2.93Å; E78-A82 VanDerWaalsContact O-CB 3.32Å; E78-A82 WeakPolarHBondContact O-CB 3.48Å; E78-A82 PolarHBondContact O-N 3.09Å
79	E	96.4	Very high	96.5	Very high	102 Å²	102	42 Å²	42	48%	0.477	25%	0.245	S	C	.	.	H	α-helix	trans	-65.4	-42	176.9	-68	176.2	142.4	0	0	111.6	G75 T76 V81 A82 N83	G75-E79 WeakPolarHBondContact CA-OE2 3.21Å; T76-E79 PolarHBondContact N-OE2 2.77Å; T76-E79 PolarHBondContact O-N 3.42Å; T76-E79 PolarHBondContact OG1-N 3.09Å; E79-V81 PolarHBondContact O-N 3.21Å; E79-A82 PolarHBondContact O-N 3.48Å; E79-N83 WeakPolarHBondContact O-CB 3.27Å; E79-N83 VanDerWaalsContact O-CG 3.22Å; E79-N83 PolarHBondContact O-N 3.26Å; E79-N83 PolarHBondContact O-ND2 2.87Å; E79-N83 VanDerWaalsContact O-ND2 3.17Å
80	Q	97.3	Very high	96.6	Very high	22 Å²	22	39.3 Å²	39.3	10%	0.103	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-40.7	176.9	-66.5	174.8	25.9	0	0	111.7	G70 G74 G75 T76 E77 T84 M331 K335	G70-Q80 WeakPolarHBondContact O-CG 3.49Å; G74-Q80 WeakPolarHBondContact O-CG 3.44Å; G75-Q80 PolarHBondContact O-NE2 3.17Å; T76-Q80 VanDerWaalsContact O-CG 3.31Å; T76-Q80 WeakPolarHBondContact O-CG 3.2Å; T76-Q80 PolarHBondContact O-N 3.35Å; E77-Q80 PolarHBondContact O-N 2.93Å; Q80-T84 WeakPolarHBondContact O-CB 3.37Å; Q80-T84 PolarHBondContact O-N 2.97Å; Q80-T84 PolarHBondContact O-OG1 3.45Å; Q80-M331 HydrophobicContact CB-CE 3.57Å; Q80-K335 VanDerWaalsContact OE1-CE 3.29Å
81	V	97.3	Very high	96.6	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-66.7	-44.8	175.9	171.6	0	0	0	0	110.6	E77 E78 E79 N83 T84 M85 E324 I327 K328 M331	E77-V81 HydrophobicContact CG-CG2 4.48Å; E77-V81 WeakPolarHBondContact O-CB 3.46Å; E77-V81 VanDerWaalsContact O-CG2 3.22Å; E77-V81 WeakPolarHBondContact O-CG2 3.24Å; E77-V81 PolarHBondContact O-N 3.34Å; E78-V81 PolarHBondContact O-N 2.93Å; E79-V81 PolarHBondContact O-N 3.21Å; V81-N83 PolarHBondContact O-N 2.79Å; V81-T84 WeakPolarHBondContact O-CB 3.43Å; V81-T84 PolarHBondContact O-N 3Å; V81-T84 VanDerWaalsContact O-N 3.17Å; V81-M85 HydrophobicContact CG1-CG 4.45Å; V81-M85 VanDerWaalsContact O-CG 3.32Å; V81-M85 WeakPolarHBondContact O-CG 3.48Å; V81-M85 PolarHBondContact O-N 2.98Å; V81-E324 HydrophobicContact CG1-CB 4.1Å; V81-E324 HydrophobicContact CG1-CG 3.94Å; V81-I327 HydrophobicContact CG1-CG2 4.45Å; V81-K328 HydrophobicContact CG1-CG 4.41Å; V81-K328 HydrophobicContact CG2-CD 4.34Å; V81-K328 HydrophobicContact CG2-CG 3.52Å; V81-M331 HydrophobicContact CG2-CE 4.27Å; V81-M331 HydrophobicContact CG2-SD 3.71Å
82	A	96.9	Very high	96.8	Very high	33 Å²	33	37.4 Å²	37.4	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-60.9	-43.8	176.8	0	0	0	0	0	111.8	E78 E79 T84 M85 D86	E78-A82 VanDerWaalsContact O-CB 3.32Å; E78-A82 WeakPolarHBondContact O-CB 3.48Å; E78-A82 PolarHBondContact O-N 3.09Å; E79-A82 PolarHBondContact O-N 3.48Å; A82-T84 VanDerWaalsContact C-N 3.34Å; A82-T84 PolarHBondContact O-N 3.23Å; A82-M85 PolarHBondContact O-N 3.26Å; A82-D86 VanDerWaalsContact O-CG 3.24Å; A82-D86 PolarHBondContact O-N 2.98Å
83	N	98.1	Very high	96.9	Very high	28 Å²	28	33.5 Å²	33.5	15%	0.15	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-36.7	174.8	-73.2	-30.6	0	0	0	112.4	E79 V81 K87 K125	E79-N83 WeakPolarHBondContact O-CB 3.27Å; E79-N83 VanDerWaalsContact O-CG 3.22Å; E79-N83 PolarHBondContact O-N 3.26Å; E79-N83 PolarHBondContact O-ND2 2.87Å; E79-N83 VanDerWaalsContact O-ND2 3.17Å; V81-N83 PolarHBondContact O-N 2.79Å; N83-K87 WeakPolarHBondContact O-CB 3.21Å; N83-K87 PolarHBondContact O-N 3.48Å; N83-K125 PolarHBondContact OD1-NZ 3.02Å
84	T	98.3	Very high	97.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-46.7	174.1	-60.6	0	0	0	0	111	A66 I67 G70 Q80 V81 A82 K87 L88 I327	A66-T84 HydrophobicContact CB-CG2 4.06Å; I67-T84 HydrophobicContact CB-CG2 4.45Å; I67-T84 HydrophobicContact CG1-CG2 3.79Å; G70-T84 WeakPolarHBondContact CA-OG1 3.38Å; Q80-T84 WeakPolarHBondContact O-CB 3.37Å; Q80-T84 PolarHBondContact O-N 2.97Å; Q80-T84 PolarHBondContact O-OG1 3.45Å; V81-T84 WeakPolarHBondContact O-CB 3.43Å; V81-T84 PolarHBondContact O-N 3Å; V81-T84 VanDerWaalsContact O-N 3.17Å; A82-T84 VanDerWaalsContact C-N 3.34Å; A82-T84 PolarHBondContact O-N 3.23Å; T84-K87 PolarHBondContact O-N 2.75Å; T84-L88 VanDerWaalsContact O-CB 3.29Å; T84-L88 WeakPolarHBondContact O-CB 3.38Å; T84-L88 PolarHBondContact O-N 3.17Å; T84-I327 HydrophobicContact CG2-CD1 3.99Å; T84-I327 HydrophobicContact CG2-CG1 4.18Å; T84-I327 HydrophobicContact CG2-CG2 3.56Å
85	M	98.2	Very high	97.4	Very high	15 Å²	15	31.9 Å²	31.9	7%	0.074	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-50.9	177.8	-73.4	-72.1	-70	0	0	111.4	V81 A82 K87 L88 F89 A320 L323 E324 I327	V81-M85 HydrophobicContact CG1-CG 4.45Å; V81-M85 VanDerWaalsContact O-CG 3.32Å; V81-M85 WeakPolarHBondContact O-CG 3.48Å; V81-M85 PolarHBondContact O-N 2.98Å; A82-M85 PolarHBondContact O-N 3.26Å; M85-K87 VanDerWaalsContact C-N 3.33Å; M85-K87 PolarHBondContact O-N 2.76Å; M85-L88 PolarHBondContact O-N 3.5Å; M85-F89 HydrophobicContact CE-CE2 4.08Å; M85-F89 VanDerWaalsContact O-CD2 3.32Å; M85-F89 WeakPolarHBondContact O-CD2 3.49Å; M85-F89 PolarHBondContact O-N 3.38Å; M85-F89 VanDerWaalsContact O-N 3.1Å; M85-A320 HydrophobicContact CE-CB 4.35Å; M85-L323 HydrophobicContact CE-CB 4.11Å; M85-L323 HydrophobicContact CE-CD2 3.8Å; M85-L323 HydrophobicContact CE-CG 4.05Å; M85-L323 HydrophobicContact SD-CB 4.1Å; M85-L323 HydrophobicContact SD-CD2 3.8Å; M85-L323 HydrophobicContact SD-CG 3.62Å; M85-E324 HydrophobicContact CE-CG 4.04Å; M85-E324 HydrophobicContact CG-CG 3.89Å; M85-E324 HydrophobicContact SD-CG 3.9Å; M85-I327 HydrophobicContact CG-CD1 4.04Å; M85-I327 HydrophobicContact SD-CD1 3.32Å; M85-I327 WeakPolarHBondContact SD-CD1 3.46Å
86	D	98.4	Very high	97.6	Very high	14 Å²	14	29.4 Å²	29.4	8%	0.075	15%	0.151	C	C	.	.	H	α-helix	trans	-57.6	-47.1	178.4	-66.8	-19.3	0	0	0	110.6	A82 L88 F89 V90 K122 K125 L126 L129	A82-D86 VanDerWaalsContact O-CG 3.24Å; A82-D86 PolarHBondContact O-N 2.98Å; D86-L88 PolarHBondContact O-N 2.92Å; D86-F89 PolarHBondContact O-N 3.15Å; D86-V90 WeakPolarHBondContact O-CG2 3.38Å; D86-V90 PolarHBondContact O-N 2.67Å; D86-K122 WeakPolarHBondContact OD1-CD 3.35Å; D86-K122 IonicContact OD1-NZ 2.91Å; D86-K122 PolarHBondContact OD1-NZ 3.46Å; D86-K122 IonicContact OD2-NZ 2.57Å; D86-K122 PolarHBondContact OD2-NZ 3.2Å; D86-K125 WeakPolarHBondContact OD2-CD 3.47Å; D86-K125 WeakPolarHBondContact OD2-CE 3.25Å; D86-K125 IonicContact OD2-NZ 2.75Å; D86-K125 PolarHBondContact OD2-NZ 2.93Å; D86-L126 HydrophobicContact CB-CD2 4.14Å; D86-L129 HydrophobicContact CB-CD1 3.82Å
87	K	98.4	Very high	97.6	Very high	39 Å²	39	26.6 Å²	26.6	17%	0.17	13%	0.133	C	C	.	.	H	α-helix	trans	-64.2	-39.6	178.4	-173.5	63.2	176.2	-176	0	112.5	A66 Y69 N83 T84 M85 V90 S91	A66-K87 HydrophobicContact CB-CB 4.22Å; A66-K87 HydrophobicContact CB-CG 4.19Å; Y69-K87 HydrophobicContact CD1-CB 3.42Å; Y69-K87 VanDerWaalsContact CD1-CB 3.42Å; Y69-K87 HydrophobicContact CD1-CD 3.97Å; Y69-K87 HydrophobicContact CD1-CG 3.58Å; Y69-K87 HydrophobicContact CD2-CD 4.19Å; Y69-K87 HydrophobicContact CD2-CG 4.38Å; Y69-K87 HydrophobicContact CE1-CB 3.86Å; Y69-K87 HydrophobicContact CE1-CD 4.14Å; Y69-K87 HydrophobicContact CE1-CG 4.18Å; Y69-K87 HydrophobicContact CE2-CD 4.38Å; Y69-K87 HydrophobicContact CG-CB 4.08Å; Y69-K87 HydrophobicContact CG-CD 3.98Å; Y69-K87 HydrophobicContact CG-CG 3.69Å; N83-K87 WeakPolarHBondContact O-CB 3.21Å; N83-K87 PolarHBondContact O-N 3.48Å; T84-K87 PolarHBondContact O-N 2.75Å; M85-K87 VanDerWaalsContact C-N 3.33Å; M85-K87 PolarHBondContact O-N 2.76Å; K87-V90 PolarHBondContact O-N 2.77Å; K87-S91 WeakPolarHBondContact O-CB 3.29Å; K87-S91 PolarHBondContact O-N 3.09Å; K87-S91 PolarHBondContact O-OG 3.1Å
88	L	98.4	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-45.9	-179.1	-176.7	59.6	0	0	0	111.3	A54 L62 V63 A66 T84 M85 D86 V90 S91 F92 L323 I327	A54-L88 HydrophobicContact CB-CD2 4.23Å; L62-L88 HydrophobicContact CB-CD1 4.4Å; V63-L88 HydrophobicContact CG2-CD1 4.07Å; A66-L88 HydrophobicContact CB-CB 3.84Å; A66-L88 HydrophobicContact CB-CD1 4.15Å; T84-L88 VanDerWaalsContact O-CB 3.29Å; T84-L88 WeakPolarHBondContact O-CB 3.38Å; T84-L88 PolarHBondContact O-N 3.17Å; M85-L88 PolarHBondContact O-N 3.5Å; D86-L88 PolarHBondContact O-N 2.92Å; L88-V90 VanDerWaalsContact C-N 3.33Å; L88-V90 PolarHBondContact O-N 2.87Å; L88-S91 PolarHBondContact O-N 3.46Å; L88-F92 HydrophobicContact CD1-CD2 3.92Å; L88-F92 HydrophobicContact CD1-CE2 3.7Å; L88-F92 HydrophobicContact CG-CD2 4.16Å; L88-F92 HydrophobicContact CG-CE2 4.17Å; L88-F92 WeakPolarHBondContact O-CD2 3.38Å; L88-F92 PolarHBondContact O-N 3.2Å; L88-L323 HydrophobicContact CD2-CD1 4.17Å; L88-L323 HydrophobicContact CD2-CD2 4.18Å; L88-L323 HydrophobicContact CD2-CG 4.46Å; L88-I327 HydrophobicContact CD2-CD1 4.1Å
89	F	98.4	Very high	97.8	Very high	14 Å²	14	27.5 Å²	27.5	6%	0.061	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-44.9	177.7	-86.1	-123.1	0	0	0	111.2	P47 I50 M85 D86 F92 G93 T106 L323	P47-F89 HydrophobicContact CB-CZ 4.39Å; P47-F89 HydrophobicContact CG-CE1 4.39Å; P47-F89 HydrophobicContact CG-CZ 4.44Å; I50-F89 HydrophobicContact CB-CD2 4.49Å; I50-F89 HydrophobicContact CB-CE1 4.42Å; I50-F89 HydrophobicContact CB-CE2 4.06Å; I50-F89 HydrophobicContact CB-CZ 4.02Å; I50-F89 HydrophobicContact CG1-CD1 4.13Å; I50-F89 HydrophobicContact CG1-CD2 4.47Å; I50-F89 HydrophobicContact CG1-CE1 4.01Å; I50-F89 HydrophobicContact CG1-CE2 4.36Å; I50-F89 HydrophobicContact CG1-CG 4.36Å; I50-F89 HydrophobicContact CG1-CZ 4.13Å; I50-F89 HydrophobicContact CG2-CD2 3.84Å; I50-F89 HydrophobicContact CG2-CE2 3.64Å; I50-F89 HydrophobicContact CG2-CG 4.49Å; I50-F89 HydrophobicContact CG2-CZ 4.13Å; M85-F89 HydrophobicContact CE-CE2 4.08Å; M85-F89 VanDerWaalsContact O-CD2 3.32Å; M85-F89 WeakPolarHBondContact O-CD2 3.49Å; M85-F89 PolarHBondContact O-N 3.38Å; M85-F89 VanDerWaalsContact O-N 3.1Å; D86-F89 PolarHBondContact O-N 3.15Å; F89-F92 PolarHBondContact O-N 2.84Å; F89-G93 PolarHBondContact O-N 3.4Å; F89-G93 VanDerWaalsContact O-N 3.09Å; F89-T106 HydrophobicContact CB-CG2 4.04Å; F89-T106 HydrophobicContact CD1-CG2 4.27Å; F89-L323 HydrophobicContact CE2-CD2 3.82Å
90	V	98.6	Very high	97.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.2	-44.7	176.1	173.9	0	0	0	0	111.1	D86 K87 L88 F92 G93 L94 L126 L129 Y130	D86-V90 WeakPolarHBondContact O-CG2 3.38Å; D86-V90 PolarHBondContact O-N 2.67Å; K87-V90 PolarHBondContact O-N 2.77Å; L88-V90 VanDerWaalsContact C-N 3.33Å; L88-V90 PolarHBondContact O-N 2.87Å; V90-F92 VanDerWaalsContact C-N 3.33Å; V90-F92 PolarHBondContact O-N 2.8Å; V90-G93 CarbonylContact O-C 3.56Å; V90-G93 WeakPolarHBondContact O-CA 3.4Å; V90-G93 PolarHBondContact O-N 2.75Å; V90-L94 HydrophobicContact CG1-CD1 4.14Å; V90-L94 HydrophobicContact CG1-CG 4.14Å; V90-L94 VanDerWaalsContact O-CG 3.3Å; V90-L94 WeakPolarHBondContact O-CG 3.38Å; V90-L94 PolarHBondContact O-N 2.7Å; V90-L126 HydrophobicContact CG2-CD2 4.07Å; V90-L129 HydrophobicContact CB-CB 4.36Å; V90-L129 HydrophobicContact CG1-CB 4.11Å; V90-L129 HydrophobicContact CG2-CB 3.81Å; V90-L129 HydrophobicContact CG2-CD1 4.07Å; V90-Y130 HydrophobicContact CB-CE2 4.49Å; V90-Y130 HydrophobicContact CG1-CD1 3.87Å; V90-Y130 HydrophobicContact CG1-CD2 4.32Å; V90-Y130 HydrophobicContact CG1-CE1 3.89Å; V90-Y130 HydrophobicContact CG1-CE2 4.36Å; V90-Y130 HydrophobicContact CG1-CG 4.08Å; V90-Y130 HydrophobicContact CG2-CD2 4.16Å; V90-Y130 HydrophobicContact CG2-CE2 3.94Å
91	S	98.5	Very high	97.8	Very high	8 Å²	8	26.1 Å²	26.1	6%	0.056	14%	0.136	C	C	.	.	H	α-helix	trans	-57.2	-43.4	178	-70.1	0	0	0	0	112.5	K87 L88 L94 E95	K87-S91 WeakPolarHBondContact O-CB 3.29Å; K87-S91 PolarHBondContact O-N 3.09Å; K87-S91 PolarHBondContact O-OG 3.1Å; L88-S91 PolarHBondContact O-N 3.46Å; S91-L94 PolarHBondContact O-N 2.99Å; S91-E95 PolarHBondContact O-N 2.86Å; S91-E95 VanDerWaalsContact O-N 3.15Å
92	F	98.4	Very high	97.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.6	-44.1	173	-89.9	-78.9	0	0	0	112	F32 I50 A53 A54 Y59 L62 L88 F89 V90 L94 E95 I96	F32-F92 AromaticContact CD1-CD1 3.88Å; F32-F92 HydrophobicContact CD1-CD1 3.88Å; F32-F92 HydrophobicContact CD1-CE1 4.16Å; F32-F92 AromaticContact CE1-CD1 3.81Å; F32-F92 HydrophobicContact CE1-CD1 3.81Å; F32-F92 AromaticContact CE1-CE1 3.82Å; F32-F92 HydrophobicContact CE1-CE1 3.82Å; I50-F92 HydrophobicContact CD1-CB 3.66Å; I50-F92 HydrophobicContact CD1-CD1 4.43Å; I50-F92 HydrophobicContact CD1-CD2 4.05Å; I50-F92 HydrophobicContact CD1-CG 3.8Å; I50-F92 HydrophobicContact CG2-CD2 4.21Å; I50-F92 HydrophobicContact CG2-CE2 4.43Å; A53-F92 HydrophobicContact CB-CD1 4.32Å; A53-F92 HydrophobicContact CB-CE1 3.5Å; A53-F92 HydrophobicContact CB-CZ 3.67Å; A54-F92 HydrophobicContact CB-CE2 4.4Å; Y59-F92 AromaticContact CD2-CE1 3.9Å; Y59-F92 HydrophobicContact CD2-CE1 3.9Å; Y59-F92 HydrophobicContact CD2-CZ 4.22Å; Y59-F92 AromaticContact CG-CE1 3.97Å; Y59-F92 HydrophobicContact CG-CE1 3.97Å; Y59-F92 HydrophobicContact CG-CZ 4.15Å; L62-F92 HydrophobicContact CD1-CD1 4.2Å; L62-F92 HydrophobicContact CD1-CD2 4.42Å; L62-F92 HydrophobicContact CD1-CE1 4.13Å; L62-F92 HydrophobicContact CD1-CE2 4.38Å; L62-F92 HydrophobicContact CD1-CG 4.34Å; L62-F92 HydrophobicContact CD1-CZ 4.23Å; L88-F92 HydrophobicContact CD1-CD2 3.92Å; L88-F92 HydrophobicContact CD1-CE2 3.7Å; L88-F92 HydrophobicContact CG-CD2 4.16Å; L88-F92 HydrophobicContact CG-CE2 4.17Å; L88-F92 WeakPolarHBondContact O-CD2 3.38Å; L88-F92 PolarHBondContact O-N 3.2Å; F89-F92 PolarHBondContact O-N 2.84Å; V90-F92 VanDerWaalsContact C-N 3.33Å; V90-F92 PolarHBondContact O-N 2.8Å; F92-L94 VanDerWaalsContact C-N 3.32Å; F92-L94 PolarHBondContact O-N 3.35Å; F92-E95 PolarHBondContact O-N 2.72Å; F92-I96 VanDerWaalsContact O-CG1 3.31Å; F92-I96 WeakPolarHBondContact O-CG1 3.32Å; F92-I96 PolarHBondContact O-N 3.49Å
93	G	98.3	Very high	97.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.6	-36.1	177	0	0	0	0	0	113.4	F89 V90 I96 L97 Y130	F89-G93 PolarHBondContact O-N 3.4Å; F89-G93 VanDerWaalsContact O-N 3.09Å; V90-G93 CarbonylContact O-C 3.56Å; V90-G93 WeakPolarHBondContact O-CA 3.4Å; V90-G93 PolarHBondContact O-N 2.75Å; G93-I96 PolarHBondContact O-N 3.37Å; G93-L97 WeakPolarHBondContact O-CB 3.38Å; G93-L97 VanDerWaalsContact O-CG 3.24Å; G93-L97 WeakPolarHBondContact O-CG 3.32Å; G93-L97 PolarHBondContact O-N 3Å; G93-Y130 WeakPolarHBondContact CA-OH 3.46Å
94	L	98.5	Very high	97.9	Very high	30 Å²	30	26 Å²	26	16%	0.157	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-44.7	173.6	-67.3	175.8	0	0	0	111.7	V90 S91 F92 L97 K98 Y130 A133 I135	V90-L94 HydrophobicContact CG1-CD1 4.14Å; V90-L94 HydrophobicContact CG1-CG 4.14Å; V90-L94 VanDerWaalsContact O-CG 3.3Å; V90-L94 WeakPolarHBondContact O-CG 3.38Å; V90-L94 PolarHBondContact O-N 2.7Å; S91-L94 PolarHBondContact O-N 2.99Å; F92-L94 VanDerWaalsContact C-N 3.32Å; F92-L94 PolarHBondContact O-N 3.35Å; L94-L97 PolarHBondContact O-N 3.17Å; L94-K98 WeakPolarHBondContact O-CG 3.04Å; L94-K98 PolarHBondContact O-N 3.45Å; L94-Y130 HydrophobicContact CD2-CD1 3.75Å; L94-Y130 HydrophobicContact CD2-CE1 4.02Å; L94-Y130 HydrophobicContact CG-CD1 4.36Å; L94-Y130 HydrophobicContact CG-CE1 4.25Å; L94-A133 HydrophobicContact CD1-CB 3.56Å; L94-A133 HydrophobicContact CD2-CB 3.72Å; L94-A133 HydrophobicContact CG-CB 4.29Å; L94-I135 HydrophobicContact CD2-CB 4.34Å; L94-I135 HydrophobicContact CD2-CD1 4.39Å; L94-I135 HydrophobicContact CD2-CG1 3.37Å
95	E	98.1	Very high	97.9	Very high	42 Å²	42	26 Å²	26	20%	0.196	13%	0.129	C	C	.	.	H	α-helix	trans	-64.5	-41	175.7	-66.3	-50.4	137.5	0	0	111.8	F32 L62 S91 F92 L97 K98	F32-E95 HydrophobicContact CD1-CB 3.77Å; F32-E95 HydrophobicContact CD2-CB 4.05Å; F32-E95 HydrophobicContact CE1-CB 3.71Å; F32-E95 HydrophobicContact CE1-CG 3.99Å; F32-E95 HydrophobicContact CE2-CB 3.99Å; F32-E95 HydrophobicContact CE2-CG 4.27Å; F32-E95 HydrophobicContact CG-CB 3.92Å; F32-E95 HydrophobicContact CZ-CB 3.8Å; F32-E95 HydrophobicContact CZ-CG 3.81Å; L62-E95 HydrophobicContact CD1-CG 3.99Å; L62-E95 HydrophobicContact CD2-CG 4.17Å; S91-E95 PolarHBondContact O-N 2.86Å; S91-E95 VanDerWaalsContact O-N 3.15Å; F92-E95 PolarHBondContact O-N 2.72Å; E95-L97 PolarHBondContact O-N 2.89Å; E95-K98 WeakPolarHBondContact O-CB 3.05Å; E95-K98 PolarHBondContact O-N 2.92Å; E95-K98 IonicContact OE1-NZ 2.63Å; E95-K98 PolarHBondContact OE1-NZ 3.34Å; E95-K98 WeakPolarHBondContact OE2-CD 3.22Å; E95-K98 IonicContact OE2-NZ 2.86Å; E95-K98 PolarHBondContact OE2-NZ 2.97Å
96	I	97.4	Very high	97.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.1	-44.5	175.1	-71	169.5	0	0	0	111.4	F32 I35 A43 T45 F92 G93 K98 K99 V100 V104	F32-I96 HydrophobicContact CB-CG1 3.8Å; I35-I96 HydrophobicContact CD1-CB 4.36Å; I35-I96 HydrophobicContact CD1-CD1 4.49Å; I35-I96 HydrophobicContact CD1-CG1 3.85Å; I35-I96 HydrophobicContact CD1-CG2 3.97Å; A43-I96 HydrophobicContact CB-CG2 3.43Å; A43-I96 VanDerWaalsContact CB-CG2 3.43Å; T45-I96 HydrophobicContact CG2-CD1 3.39Å; F92-I96 VanDerWaalsContact O-CG1 3.31Å; F92-I96 WeakPolarHBondContact O-CG1 3.32Å; F92-I96 PolarHBondContact O-N 3.49Å; G93-I96 PolarHBondContact O-N 3.37Å; I96-K98 PolarHBondContact O-N 3.41Å; I96-K99 WeakPolarHBondContact O-CA 3.28Å; I96-K99 WeakPolarHBondContact O-CB 3.4Å; I96-K99 PolarHBondContact O-N 3.21Å; I96-V100 HydrophobicContact CG2-CG1 4.42Å; I96-V100 HydrophobicContact CG2-CG2 4.15Å; I96-V100 PolarHBondContact O-N 3.23Å; I96-V104 HydrophobicContact CB-CG2 4.15Å; I96-V104 HydrophobicContact CD1-CG2 4.09Å; I96-V104 HydrophobicContact CG2-CB 4.1Å; I96-V104 HydrophobicContact CG2-CG2 3.75Å
97	L	97.9	Very high	98	Very high	11 Å²	11	24.9 Å²	24.9	6%	0.058	12%	0.122	C	C	.	.	H	α-helix	trans	-65.7	-18.7	-178.2	-73.8	174	0	0	0	114	G93 L94 E95 K99 V100 V104 Y130 I135 R139	G93-L97 WeakPolarHBondContact O-CB 3.38Å; G93-L97 VanDerWaalsContact O-CG 3.24Å; G93-L97 WeakPolarHBondContact O-CG 3.32Å; G93-L97 PolarHBondContact O-N 3Å; L94-L97 PolarHBondContact O-N 3.17Å; E95-L97 PolarHBondContact O-N 2.89Å; L97-K99 VanDerWaalsContact C-N 3.29Å; L97-V100 HydrophobicContact CD2-CG2 4.39Å; L97-V104 HydrophobicContact CD1-CG1 3.79Å; L97-V104 HydrophobicContact CD2-CB 3.94Å; L97-V104 HydrophobicContact CD2-CG1 3.81Å; L97-V104 HydrophobicContact CG-CB 4.07Å; L97-V104 HydrophobicContact CG-CG1 3.65Å; L97-Y130 HydrophobicContact CD1-CD1 4.49Å; L97-Y130 HydrophobicContact CD1-CE1 4.21Å; L97-I135 HydrophobicContact CD1-CD1 4.46Å; L97-I135 HydrophobicContact CD1-CG1 4.23Å; L97-I135 HydrophobicContact CD1-CG2 3.58Å; L97-R139 HydrophobicContact CD1-CB 4.28Å; L97-R139 HydrophobicContact CD2-CB 4.06Å; L97-R139 WeakPolarHBondContact CD2-O 3.18Å; L97-R139 PolarHBondContact O-NH2 3.42Å
98	K	97	Very high	98	Very high	140 Å²	140	23.3 Å²	23.3	61%	0.609	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-21.1	169.4	-62.5	170.8	-165.9	171.3	0	112.5	L94 E95 I96	L94-K98 WeakPolarHBondContact O-CG 3.04Å; L94-K98 PolarHBondContact O-N 3.45Å; E95-K98 WeakPolarHBondContact O-CB 3.05Å; E95-K98 PolarHBondContact O-N 2.92Å; E95-K98 IonicContact OE1-NZ 2.63Å; E95-K98 PolarHBondContact OE1-NZ 3.34Å; E95-K98 WeakPolarHBondContact OE2-CD 3.22Å; E95-K98 IonicContact OE2-NZ 2.86Å; E95-K98 PolarHBondContact OE2-NZ 2.97Å; I96-K98 PolarHBondContact O-N 3.41Å
99	K	95.9	Very high	98	Very high	76 Å²	76	25.2 Å²	25.2	33%	0.33	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-26	-175.7	-54.6	-51.5	-160.5	148.9	0	113.4	I35 D36 I96 L97	I35-K99 HydrophobicContact CB-CB 4.47Å; I35-K99 HydrophobicContact CG2-CB 3.92Å; D36-K99 WeakPolarHBondContact OD1-CD 3.29Å; D36-K99 IonicContact OD1-NZ 3.96Å; D36-K99 WeakPolarHBondContact OD2-CE 3.32Å; D36-K99 IonicContact OD2-NZ 2.71Å; D36-K99 PolarHBondContact OD2-NZ 3.35Å; I96-K99 WeakPolarHBondContact O-CA 3.28Å; I96-K99 WeakPolarHBondContact O-CB 3.4Å; I96-K99 PolarHBondContact O-N 3.21Å; L97-K99 VanDerWaalsContact C-N 3.29Å
100	V	96	Very high	98	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.036	12%	0.124	C	C	.	.			trans	-111	141.2	-179.4	-54.6	0	0	0	0	111.9	I35 P40 A43 I96 L97 G102 R139	I35-V100 HydrophobicContact CG2-CG1 3.62Å; P40-V100 HydrophobicContact CG-CG1 4.05Å; A43-V100 HydrophobicContact CB-CG1 4.18Å; I96-V100 HydrophobicContact CG2-CG1 4.42Å; I96-V100 HydrophobicContact CG2-CG2 4.15Å; I96-V100 PolarHBondContact O-N 3.23Å; L97-V100 HydrophobicContact CD2-CG2 4.39Å; V100-G102 VanDerWaalsContact C-N 3.34Å; V100-R139 PolarHBondContact O-NH2 3.4Å
101	P	96.6	Very high	98	Very high	90 Å²	90	29.6 Å²	29.6	58%	0.584	14%	0.143	S	C	*	.	S	Bend	trans	-75.4	-24.7	177.2	30.6	-34.9	0	0	0	112.8
102	G	97.4	Very high	98	Very high	8 Å²	8	30.9 Å²	30.9	8%	0.082	15%	0.149	C	C	.	.	S	Bend	trans	-98	-134.5	-178.9	0	0	0	0	0	112.8	Q41 D42 V100 R139	Q41-G102 WeakPolarHBondContact O-CA 3.38Å; Q41-G102 PolarHBondContact O-N 3.42Å; D42-G102 VanDerWaalsContact OD1-CA 3.24Å; D42-G102 WeakPolarHBondContact OD1-CA 3.35Å; V100-G102 VanDerWaalsContact C-N 3.34Å; G102-R139 VanDerWaalsContact O-CZ 3.26Å; G102-R139 PolarHBondContact O-NE 3.33Å; G102-R139 PolarHBondContact O-NH2 3.43Å
103	R	98.5	Very high	98	Very high	52 Å²	52	30.9 Å²	30.9	20%	0.196	15%	0.149	C	C	.	.			trans	-102.4	160.2	-164.6	-60.9	166.3	-64	-178.6	3	113.1	D42 A43 R139 L141	D42-R103 CarbonylContact C-O 3.51Å; D42-R103 VanDerWaalsContact CA-O 3.29Å; D42-R103 WeakPolarHBondContact CA-O 3.41Å; D42-R103 WeakPolarHBondContact CB-O 3.49Å; D42-R103 PolarHBondContact OD1-N 3.14Å; D42-R103 IonicContact OD1-NE 3.99Å; D42-R103 IonicContact OD2-CZ 3.87Å; D42-R103 IonicContact OD2-NE 3.09Å; D42-R103 PolarHBondContact OD2-NE 3.1Å; D42-R103 VanDerWaalsContact OD2-NE 3.09Å; D42-R103 IonicContact OD2-NH2 2.93Å; D42-R103 PolarHBondContact OD2-NH2 2.93Å; A43-R103 PolarHBondContact N-O 3.3Å; R103-R139 CarbonylContact C-O 3.56Å; R103-R139 WeakPolarHBondContact CA-O 3.49Å; R103-L141 HydrophobicContact CB-CD1 4.43Å; R103-L141 HydrophobicContact CB-CG 4.44Å
104	V	98.6	Very high	98	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.2	165.4	69.1	0	0	0	0	110.6	A43 I96 L97 Y130 R139 V140 L141	A43-V104 CarbonylContact O-C 3.54Å; A43-V104 WeakPolarHBondContact O-CA 3.32Å; I96-V104 HydrophobicContact CB-CG2 4.15Å; I96-V104 HydrophobicContact CD1-CG2 4.09Å; I96-V104 HydrophobicContact CG2-CB 4.1Å; I96-V104 HydrophobicContact CG2-CG2 3.75Å; L97-V104 HydrophobicContact CD1-CG1 3.79Å; L97-V104 HydrophobicContact CD2-CB 3.94Å; L97-V104 HydrophobicContact CD2-CG1 3.81Å; L97-V104 HydrophobicContact CG-CB 4.07Å; L97-V104 HydrophobicContact CG-CG1 3.65Å; V104-Y130 HydrophobicContact CG1-CE1 4.46Å; V104-R139 PolarHBondContact N-O 2.97Å; V104-V140 WeakPolarHBondContact O-CA 3.45Å; V104-L141 PolarHBondContact O-N 3.04Å
105	S	98.8	Very high	98	Very high	2 Å²	2	39 Å²	39	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.6	167.1	-61.9	0	0	0	0	111	A43 T45 L141 N166	A43-S105 PolarHBondContact O-N 3.18Å; T45-S105 PolarHBondContact N-O 2.88Å; T45-S105 PolarHBondContact OG1-O 2.91Å; S105-L141 CarbonylContact C-O 3.55Å; S105-L141 VanDerWaalsContact CA-O 3.25Å; S105-L141 WeakPolarHBondContact CA-O 3.4Å; S105-N166 PolarHBondContact OG-ND2 3.09Å
106	T	98.8	Very high	98.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.9	174.7	-57.7	0	0	0	0	109.6	F89 L126 Y130 L141 K143	F89-T106 HydrophobicContact CB-CG2 4.04Å; F89-T106 HydrophobicContact CD1-CG2 4.27Å; T106-L126 HydrophobicContact CG2-CD1 4.33Å; T106-Y130 HydrophobicContact CG2-CE2 4.48Å; T106-Y130 PolarHBondContact OG1-OH 2.87Å; T106-L141 PolarHBondContact N-O 2.92Å; T106-K143 PolarHBondContact O-N 3Å
107	E	98.6	Very high	98.1	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.019	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.5	-171.1	-157.1	162.2	144.8	0	0	112.4	N46 K143 F316	N46-E107 WeakPolarHBondContact CB-OE2 3.22Å; E107-K143 WeakPolarHBondContact CA-O 3.47Å; E107-K143 HydrophobicContact CB-CB 4.04Å; E107-K143 HydrophobicContact CB-CD 4.26Å; E107-K143 HydrophobicContact CB-CG 4.34Å; E107-K143 HydrophobicContact CG-CB 4.05Å; E107-K143 HydrophobicContact CG-CD 4.18Å; E107-K143 HydrophobicContact CG-CG 3.97Å; E107-K143 WeakPolarHBondContact OE2-CD 3.37Å; E107-K143 WeakPolarHBondContact OE2-CE 3.47Å; E107-K143 IonicContact OE2-NZ 2.75Å; E107-K143 PolarHBondContact OE2-NZ 2.82Å; E107-F316 WeakPolarHBondContact OE1-CD2 3.31Å; E107-F316 WeakPolarHBondContact OE1-CE2 3.48Å
108	V	98.7	Very high	98.2	Very high	6 Å²	6	49 Å²	49	4%	0.036	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-66.7	150.5	169.4	168.9	0	0	0	0	109.2	A110 L112 M119 K122 A123 L126 I142 K143 L144	V108-A110 PolarHBondContact O-N 2.78Å; V108-A110 VanDerWaalsContact O-N 3.14Å; V108-L112 HydrophobicContact CG1-CD1 4.12Å; V108-M119 HydrophobicContact CG1-CG 4.12Å; V108-K122 HydrophobicContact CB-CG 4.47Å; V108-K122 HydrophobicContact CG1-CB 4.08Å; V108-K122 HydrophobicContact CG1-CG 3.83Å; V108-K122 HydrophobicContact CG2-CG 4.27Å; V108-A123 HydrophobicContact CG2-CB 4.32Å; V108-L126 HydrophobicContact CG2-CD1 4.13Å; V108-I142 HydrophobicContact CG2-CG2 3.65Å; V108-K143 PolarHBondContact N-O 2.93Å; V108-L144 HydrophobicContact CB-CD2 3.71Å; V108-L144 HydrophobicContact CG1-CD2 4.22Å; V108-L144 HydrophobicContact CG2-CD2 3.55Å
109	D	98.2	Very high	98.3	Very high	40 Å²	40	42.5 Å²	42.5	21%	0.214	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-53.5	119.6	177.5	-175	-13.4	0	0	0	111.7	R111 L112	D109-R111 PolarHBondContact O-N 3.01Å; D109-R111 VanDerWaalsContact O-N 3.1Å; D109-R111 WeakPolarHBondContact OD1-CB 3.37Å; D109-R111 WeakPolarHBondContact OD1-CG 3.31Å; D109-R111 PolarHBondContact OD1-N 3.48Å; D109-R111 IonicContact OD1-NE 3.94Å; D109-R111 PolarHBondContact OD1-NE 3.32Å; D109-R111 IonicContact OD2-CZ 3.7Å; D109-R111 IonicContact OD2-NE 3.08Å; D109-R111 PolarHBondContact OD2-NE 3.25Å; D109-R111 IonicContact OD2-NH2 3.03Å; D109-R111 PolarHBondContact OD2-NH2 3.19Å; D109-L112 HydrophobicContact CB-CD1 4.27Å; D109-L112 HydrophobicContact CB-CG 4.24Å; D109-L112 WeakPolarHBondContact O-CB 3.32Å; D109-L112 PolarHBondContact O-N 3.5Å
110	A	98.3	Very high	98.4	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.017	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-61.7	-20.8	-177.7	0	0	0	0	0	113.2	V108 L112 S113 I313 F316	V108-A110 PolarHBondContact O-N 2.78Å; V108-A110 VanDerWaalsContact O-N 3.14Å; A110-L112 PolarHBondContact O-N 2.78Å; A110-S113 VanDerWaalsContact O-CB 3.28Å; A110-S113 WeakPolarHBondContact O-CB 3.42Å; A110-S113 PolarHBondContact O-N 3.42Å; A110-S113 VanDerWaalsContact O-N 3.09Å; A110-S113 PolarHBondContact O-OG 3.33Å; A110-I313 HydrophobicContact CB-CG2 4.42Å; A110-I313 WeakPolarHBondContact O-CG2 3.49Å; A110-F316 HydrophobicContact CB-CB 3.58Å
111	R	98.7	Very high	98.5	Very high	105 Å²	105	41.6 Å²	41.6	40%	0.396	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-62.1	-22.9	173.3	-65.6	176.7	-67.9	-166.8	1.3	112.6	D109 S113 A317 E324	D109-R111 PolarHBondContact O-N 3.01Å; D109-R111 VanDerWaalsContact O-N 3.1Å; D109-R111 WeakPolarHBondContact OD1-CB 3.37Å; D109-R111 WeakPolarHBondContact OD1-CG 3.31Å; D109-R111 PolarHBondContact OD1-N 3.48Å; D109-R111 IonicContact OD1-NE 3.94Å; D109-R111 PolarHBondContact OD1-NE 3.32Å; D109-R111 IonicContact OD2-CZ 3.7Å; D109-R111 IonicContact OD2-NE 3.08Å; D109-R111 PolarHBondContact OD2-NE 3.25Å; D109-R111 IonicContact OD2-NH2 3.03Å; D109-R111 PolarHBondContact OD2-NH2 3.19Å; R111-S113 VanDerWaalsContact C-N 3.34Å; R111-A317 HydrophobicContact CG-CB 3.73Å; R111-E324 IonicContact CZ-OE1 3.27Å; R111-E324 IonicContact CZ-OE2 2.61Å; R111-E324 IonicContact NH1-OE1 2.66Å; R111-E324 PolarHBondContact NH1-OE1 2.87Å; R111-E324 IonicContact NH1-OE2 2.75Å; R111-E324 PolarHBondContact NH1-OE2 3.37Å; R111-E324 IonicContact NH2-OE1 2.66Å; R111-E324 PolarHBondContact NH2-OE1 3.14Å; R111-E324 IonicContact NH2-OE2 3.5Å
112	L	98.8	Very high	98.7	Very high	34 Å²	34	39 Å²	39	18%	0.178	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-87.6	0.9	178	-51.3	179.7	0	0	0	113	V108 D109 A110 F114 D115 E118 M119 K122	V108-L112 HydrophobicContact CG1-CD1 4.12Å; D109-L112 HydrophobicContact CB-CD1 4.27Å; D109-L112 HydrophobicContact CB-CG 4.24Å; D109-L112 WeakPolarHBondContact O-CB 3.32Å; D109-L112 PolarHBondContact O-N 3.5Å; A110-L112 PolarHBondContact O-N 2.78Å; L112-F114 PolarHBondContact O-N 3.3Å; L112-D115 PolarHBondContact O-N 3.48Å; L112-E118 HydrophobicContact CD1-CB 4.3Å; L112-E118 HydrophobicContact CD2-CB 4.07Å; L112-M119 HydrophobicContact CB-CG 3.89Å; L112-M119 WeakPolarHBondContact O-CE 3.38Å; L112-M119 VanDerWaalsContact O-CG 3.31Å; L112-M119 WeakPolarHBondContact O-CG 3.36Å; L112-K122 HydrophobicContact CD1-CB 3.88Å; L112-K122 HydrophobicContact CD1-CG 4.16Å
113	S	98.8	Very high	98.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-14.8	-170	-61.2	0	0	0	0	115.3	A110 R111 S145 T147	A110-S113 VanDerWaalsContact O-CB 3.28Å; A110-S113 WeakPolarHBondContact O-CB 3.42Å; A110-S113 PolarHBondContact O-N 3.42Å; A110-S113 VanDerWaalsContact O-N 3.09Å; A110-S113 PolarHBondContact O-OG 3.33Å; R111-S113 VanDerWaalsContact C-N 3.34Å; S113-S145 WeakPolarHBondContact OG-CB 3.49Å; S113-S145 PolarHBondContact OG-OG 3.1Å; S113-T147 WeakPolarHBondContact O-CB 3.26Å; S113-T147 WeakPolarHBondContact O-CG2 3.34Å; S113-T147 PolarHBondContact O-OG1 3.02Å
114	F	98.8	Very high	98.7	Very high	129 Å²	129	38.8 Å²	38.8	57%	0.566	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.2	13.5	179.1	-56	-74.1	0	0	0	112.9	L112 T147 I313	L112-F114 PolarHBondContact O-N 3.3Å; F114-T147 HydrophobicContact CD1-CG2 3.94Å; F114-T147 HydrophobicContact CE1-CG2 3.53Å; F114-T147 HydrophobicContact CZ-CG2 4.1Å; F114-I313 HydrophobicContact CE1-CD1 4.39Å; F114-I313 HydrophobicContact CE2-CD1 4.04Å; F114-I313 HydrophobicContact CE2-CG2 4.32Å; F114-I313 HydrophobicContact CZ-CD1 3.66Å
115	D	98.9	Very high	98.8	Very high	70 Å²	70	42.4 Å²	42.4	37%	0.374	21%	0.206	S	C	.	.			trans	-126.6	100.6	177.7	-168.7	-40.3	0	0	0	108.9	L112 E117 E118 M119	L112-D115 PolarHBondContact O-N 3.48Å; D115-E117 PolarHBondContact OD1-N 2.91Å; D115-E118 HydrophobicContact CB-CB 4.03Å; D115-E118 HydrophobicContact CB-CG 4.35Å; D115-E118 VanDerWaalsContact CG-CG 3.49Å; D115-E118 WeakPolarHBondContact OD1-CB 3.32Å; D115-E118 PolarHBondContact OD1-N 2.93Å; D115-E118 WeakPolarHBondContact OD2-CG 3.38Å; D115-M119 WeakPolarHBondContact O-CB 3.29Å; D115-M119 WeakPolarHBondContact O-CE 3.44Å; D115-M119 WeakPolarHBondContact O-CG 3.34Å; D115-M119 PolarHBondContact O-N 3.1Å
116	K	98.9	Very high	98.8	Very high	50 Å²	50	42.5 Å²	42.5	22%	0.217	21%	0.206	C	C	.	.	H	α-helix	trans	-62.5	-47.3	-174.2	173.2	-163.5	165.1	-126.8	0	110.6	M119 V120 E149 Q152 A153 E156	K116-M119 PolarHBondContact O-N 3.07Å; K116-V120 WeakPolarHBondContact O-CG2 3.45Å; K116-V120 PolarHBondContact O-N 3.12Å; K116-E149 HydrophobicContact CB-CB 4.25Å; K116-Q152 HydrophobicContact CD-CB 3.88Å; K116-Q152 HydrophobicContact CG-CB 4.34Å; K116-A153 HydrophobicContact CG-CB 3.96Å; K116-E156 WeakPolarHBondContact CE-OE2 3.13Å; K116-E156 IonicContact NZ-OE2 3.59Å; K116-E156 PolarHBondContact NZ-OE2 2.83Å
117	E	98.8	Very high	98.8	Very high	116 Å²	116	42.9 Å²	42.9	54%	0.542	21%	0.208	S	C	.	.	H	α-helix	trans	-65.2	-43.6	-174.8	-74.2	58.4	-143	0	0	110.8	D115 V120 A121	D115-E117 PolarHBondContact OD1-N 2.91Å; E117-V120 PolarHBondContact O-N 2.93Å; E117-A121 WeakPolarHBondContact O-CB 3.16Å; E117-A121 PolarHBondContact O-N 2.92Å
118	E	98.8	Very high	98.8	Very high	99 Å²	99	44.4 Å²	44.4	46%	0.463	22%	0.221	S	C	.	.	H	α-helix	trans	-67.8	-35.8	175.3	-71.1	-63	140.3	0	0	112.6	L112 D115 A121 K122	L112-E118 HydrophobicContact CD1-CB 4.3Å; L112-E118 HydrophobicContact CD2-CB 4.07Å; D115-E118 HydrophobicContact CB-CB 4.03Å; D115-E118 HydrophobicContact CB-CG 4.35Å; D115-E118 VanDerWaalsContact CG-CG 3.49Å; D115-E118 WeakPolarHBondContact OD1-CB 3.32Å; D115-E118 PolarHBondContact OD1-N 2.93Å; D115-E118 WeakPolarHBondContact OD2-CG 3.38Å; E118-A121 PolarHBondContact O-N 3.44Å; E118-K122 VanDerWaalsContact O-CB 3.25Å; E118-K122 WeakPolarHBondContact O-CB 3.38Å; E118-K122 PolarHBondContact O-N 3.49Å
119	M	98.9	Very high	98.8	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-43.9	172.4	-80.2	-173.2	-73.9	0	0	112.1	V108 L112 D115 K116 A123 L144 E149 G150 A153	V108-M119 HydrophobicContact CG1-CG 4.12Å; L112-M119 HydrophobicContact CB-CG 3.89Å; L112-M119 WeakPolarHBondContact O-CE 3.38Å; L112-M119 VanDerWaalsContact O-CG 3.31Å; L112-M119 WeakPolarHBondContact O-CG 3.36Å; D115-M119 WeakPolarHBondContact O-CB 3.29Å; D115-M119 WeakPolarHBondContact O-CE 3.44Å; D115-M119 WeakPolarHBondContact O-CG 3.34Å; D115-M119 PolarHBondContact O-N 3.1Å; K116-M119 PolarHBondContact O-N 3.07Å; M119-A123 WeakPolarHBondContact O-CB 3.33Å; M119-A123 PolarHBondContact O-N 3.2Å; M119-L144 HydrophobicContact CB-CD2 4.24Å; M119-L144 HydrophobicContact CG-CD2 4.33Å; M119-L144 HydrophobicContact SD-CD2 4.15Å; M119-E149 VanDerWaalsContact CE-C 3.49Å; M119-E149 HydrophobicContact CE-CB 3.96Å; M119-G150 VanDerWaalsContact CE-N 3.33Å; M119-A153 HydrophobicContact CB-CB 3.93Å; M119-A153 HydrophobicContact CE-CB 4.28Å
120	V	98.9	Very high	98.8	Very high	12 Å²	12	42.5 Å²	42.5	7%	0.073	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-48.1	176.2	173.4	0	0	0	0	110.3	K116 E117 K122 A123 L124 A153 E156 L157	K116-V120 WeakPolarHBondContact O-CG2 3.45Å; K116-V120 PolarHBondContact O-N 3.12Å; E117-V120 PolarHBondContact O-N 2.93Å; V120-K122 PolarHBondContact O-N 3.31Å; V120-A123 WeakPolarHBondContact O-CB 3.49Å; V120-A123 PolarHBondContact O-N 2.99Å; V120-L124 HydrophobicContact CG1-CD1 4.06Å; V120-L124 HydrophobicContact CG1-CG 4.48Å; V120-L124 WeakPolarHBondContact O-CG 3.21Å; V120-L124 PolarHBondContact O-N 2.8Å; V120-A153 HydrophobicContact CG2-CB 3.82Å; V120-E156 HydrophobicContact CG2-CB 4.37Å; V120-E156 HydrophobicContact CG2-CG 4.33Å; V120-L157 HydrophobicContact CG1-CD2 4.13Å; V120-L157 HydrophobicContact CG2-CG 4.33Å
121	A	98.9	Very high	98.8	Very high	50 Å²	50	47.3 Å²	47.3	41%	0.413	23%	0.233	S	C	.	.	H	α-helix	trans	-60.2	-45.3	179.2	0	0	0	0	0	111.9	E117 E118 L124 K125	E117-A121 WeakPolarHBondContact O-CB 3.16Å; E117-A121 PolarHBondContact O-N 2.92Å; E118-A121 PolarHBondContact O-N 3.44Å; A121-L124 PolarHBondContact O-N 2.84Å; A121-K125 PolarHBondContact O-N 3.03Å
122	K	98.9	Very high	98.8	Very high	36 Å²	36	48.5 Å²	48.5	16%	0.157	24%	0.243	C	C	.	.	H	α-helix	trans	-64.4	-43.3	177.4	-178.6	58	63.1	163.7	0	111.9	D86 V108 L112 E118 V120 L124 K125 L126	D86-K122 WeakPolarHBondContact OD1-CD 3.35Å; D86-K122 IonicContact OD1-NZ 2.91Å; D86-K122 PolarHBondContact OD1-NZ 3.46Å; D86-K122 IonicContact OD2-NZ 2.57Å; D86-K122 PolarHBondContact OD2-NZ 3.2Å; V108-K122 HydrophobicContact CB-CG 4.47Å; V108-K122 HydrophobicContact CG1-CB 4.08Å; V108-K122 HydrophobicContact CG1-CG 3.83Å; V108-K122 HydrophobicContact CG2-CG 4.27Å; L112-K122 HydrophobicContact CD1-CB 3.88Å; L112-K122 HydrophobicContact CD1-CG 4.16Å; E118-K122 VanDerWaalsContact O-CB 3.25Å; E118-K122 WeakPolarHBondContact O-CB 3.38Å; E118-K122 PolarHBondContact O-N 3.49Å; V120-K122 PolarHBondContact O-N 3.31Å; K122-L124 PolarHBondContact O-N 3.45Å; K122-K125 WeakPolarHBondContact O-CB 3.48Å; K122-K125 PolarHBondContact O-N 3.48Å; K122-L126 HydrophobicContact CD-CG 4.39Å; K122-L126 HydrophobicContact CG-CD1 4.41Å; K122-L126 WeakPolarHBondContact O-CG 3.48Å; K122-L126 PolarHBondContact O-N 3.43Å
123	A	98.9	Very high	98.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.3	-48	176.1	0	0	0	0	0	112.1	V108 M119 V120 K125 L126 I127 I142 L157	V108-A123 HydrophobicContact CG2-CB 4.32Å; M119-A123 WeakPolarHBondContact O-CB 3.33Å; M119-A123 PolarHBondContact O-N 3.2Å; V120-A123 WeakPolarHBondContact O-CB 3.49Å; V120-A123 PolarHBondContact O-N 2.99Å; A123-K125 VanDerWaalsContact C-N 3.33Å; A123-K125 PolarHBondContact O-N 2.61Å; A123-L126 PolarHBondContact O-N 2.76Å; A123-I127 WeakPolarHBondContact O-CG1 3.25Å; A123-I127 PolarHBondContact O-N 3.3Å; A123-I142 HydrophobicContact CB-CB 4.44Å; A123-I142 HydrophobicContact CB-CG1 4.26Å; A123-I142 HydrophobicContact CB-CG2 3.68Å; A123-L157 HydrophobicContact CB-CD1 3.54Å; A123-L157 HydrophobicContact CB-CD2 3.68Å; A123-L157 HydrophobicContact CB-CG 4.27Å
124	L	98.9	Very high	98.7	Very high	56 Å²	56	52.1 Å²	52.1	29%	0.293	28%	0.284	S	S	.	.	H	α-helix	trans	-64	-38.5	178.2	-65.7	174.5	0	0	0	111.8	V120 A121 K122 I127 A128 L157 H161 V163	V120-L124 HydrophobicContact CG1-CD1 4.06Å; V120-L124 HydrophobicContact CG1-CG 4.48Å; V120-L124 WeakPolarHBondContact O-CG 3.21Å; V120-L124 PolarHBondContact O-N 2.8Å; A121-L124 PolarHBondContact O-N 2.84Å; K122-L124 PolarHBondContact O-N 3.45Å; L124-I127 PolarHBondContact O-N 3.43Å; L124-A128 PolarHBondContact O-N 3Å; L124-L157 HydrophobicContact CD2-CD2 4.05Å; L124-L157 HydrophobicContact CG-CD2 4.15Å; L124-H161 HydrophobicContact CD2-CB 3.89Å; L124-V163 HydrophobicContact CD2-CG2 4.16Å
125	K	98.8	Very high	98.7	Very high	76 Å²	76	47.7 Å²	47.7	33%	0.33	27%	0.266	S	S	.	.	H	α-helix	trans	-61.2	-43.7	174	-172.6	-179.1	-179.2	-166.2	0	111.9	N83 D86 A121 K122 A123 A128 L129	N83-K125 PolarHBondContact OD1-NZ 3.02Å; D86-K125 WeakPolarHBondContact OD2-CD 3.47Å; D86-K125 WeakPolarHBondContact OD2-CE 3.25Å; D86-K125 IonicContact OD2-NZ 2.75Å; D86-K125 PolarHBondContact OD2-NZ 2.93Å; A121-K125 PolarHBondContact O-N 3.03Å; K122-K125 WeakPolarHBondContact O-CB 3.48Å; K122-K125 PolarHBondContact O-N 3.48Å; A123-K125 VanDerWaalsContact C-N 3.33Å; A123-K125 PolarHBondContact O-N 2.61Å; K125-A128 PolarHBondContact O-N 2.81Å; K125-L129 WeakPolarHBondContact O-CG 3.34Å; K125-L129 PolarHBondContact O-N 3.36Å; K125-L129 VanDerWaalsContact O-N 3.14Å
126	L	98.9	Very high	98.7	Very high	4 Å²	4	47 Å²	47	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-41.5	177.3	-67.6	172.9	0	0	0	111.7	D86 V90 T106 V108 K122 A123 L129 Y130 I142	D86-L126 HydrophobicContact CB-CD2 4.14Å; V90-L126 HydrophobicContact CG2-CD2 4.07Å; T106-L126 HydrophobicContact CG2-CD1 4.33Å; V108-L126 HydrophobicContact CG2-CD1 4.13Å; K122-L126 HydrophobicContact CD-CG 4.39Å; K122-L126 HydrophobicContact CG-CD1 4.41Å; K122-L126 WeakPolarHBondContact O-CG 3.48Å; K122-L126 PolarHBondContact O-N 3.43Å; A123-L126 PolarHBondContact O-N 2.76Å; L126-L129 PolarHBondContact O-N 2.83Å; L126-Y130 VanDerWaalsContact O-CD2 3.27Å; L126-Y130 WeakPolarHBondContact O-CD2 3.32Å; L126-Y130 PolarHBondContact O-N 2.93Å; L126-Y130 VanDerWaalsContact O-N 3.16Å; L126-I142 HydrophobicContact CB-CD1 4.03Å; L126-I142 HydrophobicContact CD1-CD1 4.35Å
127	I	98.9	Very high	98.6	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.036	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-44.3	174.9	-68.9	-59.7	0	0	0	111.4	A123 L124 L129 Y130 E131 K137 V140 I142 V163	A123-I127 WeakPolarHBondContact O-CG1 3.25Å; A123-I127 PolarHBondContact O-N 3.3Å; L124-I127 PolarHBondContact O-N 3.43Å; I127-L129 VanDerWaalsContact C-N 3.28Å; I127-L129 PolarHBondContact O-N 3.44Å; I127-Y130 WeakPolarHBondContact O-CA 3.46Å; I127-Y130 WeakPolarHBondContact O-CB 3.25Å; I127-Y130 PolarHBondContact O-N 2.91Å; I127-E131 HydrophobicContact CG2-CG 4.25Å; I127-E131 WeakPolarHBondContact O-CG 3.38Å; I127-E131 PolarHBondContact O-N 3.06Å; I127-K137 HydrophobicContact CD1-CB 4.03Å; I127-K137 HydrophobicContact CG2-CB 3.85Å; I127-V140 HydrophobicContact CD1-CB 3.97Å; I127-V140 HydrophobicContact CD1-CG1 3.83Å; I127-I142 HydrophobicContact CD1-CD1 3.9Å; I127-I142 HydrophobicContact CD1-CG1 3.93Å; I127-I142 HydrophobicContact CG1-CD1 4.03Å; I127-I142 HydrophobicContact CG1-CG1 3.99Å; I127-V163 HydrophobicContact CD1-CG1 4.1Å; I127-V163 HydrophobicContact CG1-CG1 3.76Å; I127-V163 HydrophobicContact CG1-CG2 3.99Å
128	A	98.8	Very high	98.6	Very high	36 Å²	36	46.5 Å²	46.5	30%	0.298	27%	0.267	S	S	.	.	H	α-helix	trans	-57.7	-41.7	176.8	0	0	0	0	0	111.9	L124 K125 Y130 E131 E132	L124-A128 PolarHBondContact O-N 3Å; K125-A128 PolarHBondContact O-N 2.81Å; A128-Y130 VanDerWaalsContact C-N 3.31Å; A128-Y130 PolarHBondContact O-N 2.87Å; A128-E131 PolarHBondContact O-N 3.16Å; A128-E132 WeakPolarHBondContact O-CB 3.47Å; A128-E132 VanDerWaalsContact O-CG 3.32Å; A128-E132 WeakPolarHBondContact O-CG 3.37Å; A128-E132 PolarHBondContact O-N 2.92Å
129	L	98.8	Very high	98.6	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-31.9	175.8	-69.4	174	0	0	0	113.4	Y69 D86 V90 K125 L126 I127 A133	Y69-L129 HydrophobicContact CE1-CD2 4.32Å; Y69-L129 VanDerWaalsContact OH-CD2 3.24Å; Y69-L129 WeakPolarHBondContact OH-CD2 3.39Å; D86-L129 HydrophobicContact CB-CD1 3.82Å; V90-L129 HydrophobicContact CB-CB 4.36Å; V90-L129 HydrophobicContact CG1-CB 4.11Å; V90-L129 HydrophobicContact CG2-CB 3.81Å; V90-L129 HydrophobicContact CG2-CD1 4.07Å; K125-L129 WeakPolarHBondContact O-CG 3.34Å; K125-L129 PolarHBondContact O-N 3.36Å; K125-L129 VanDerWaalsContact O-N 3.14Å; L126-L129 PolarHBondContact O-N 2.83Å; I127-L129 VanDerWaalsContact C-N 3.28Å; I127-L129 PolarHBondContact O-N 3.44Å; L129-A133 PolarHBondContact O-N 3.39Å
130	Y	98.8	Very high	98.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70.2	-43.5	171.2	-83.9	-68.4	0	0	0	111.6	V90 G93 L94 L97 V104 T106 L126 I127 A128 A133 G134 I135 V140	V90-Y130 HydrophobicContact CB-CE2 4.49Å; V90-Y130 HydrophobicContact CG1-CD1 3.87Å; V90-Y130 HydrophobicContact CG1-CD2 4.32Å; V90-Y130 HydrophobicContact CG1-CE1 3.89Å; V90-Y130 HydrophobicContact CG1-CE2 4.36Å; V90-Y130 HydrophobicContact CG1-CG 4.08Å; V90-Y130 HydrophobicContact CG2-CD2 4.16Å; V90-Y130 HydrophobicContact CG2-CE2 3.94Å; G93-Y130 WeakPolarHBondContact CA-OH 3.46Å; L94-Y130 HydrophobicContact CD2-CD1 3.75Å; L94-Y130 HydrophobicContact CD2-CE1 4.02Å; L94-Y130 HydrophobicContact CG-CD1 4.36Å; L94-Y130 HydrophobicContact CG-CE1 4.25Å; L97-Y130 HydrophobicContact CD1-CD1 4.49Å; L97-Y130 HydrophobicContact CD1-CE1 4.21Å; V104-Y130 HydrophobicContact CG1-CE1 4.46Å; T106-Y130 HydrophobicContact CG2-CE2 4.48Å; T106-Y130 PolarHBondContact OG1-OH 2.87Å; L126-Y130 VanDerWaalsContact O-CD2 3.27Å; L126-Y130 WeakPolarHBondContact O-CD2 3.32Å; L126-Y130 PolarHBondContact O-N 2.93Å; L126-Y130 VanDerWaalsContact O-N 3.16Å; I127-Y130 WeakPolarHBondContact O-CA 3.46Å; I127-Y130 WeakPolarHBondContact O-CB 3.25Å; I127-Y130 PolarHBondContact O-N 2.91Å; A128-Y130 VanDerWaalsContact C-N 3.31Å; A128-Y130 PolarHBondContact O-N 2.87Å; Y130-A133 CarbonylContact O-C 3.41Å; Y130-A133 WeakPolarHBondContact O-CA 3.17Å; Y130-A133 WeakPolarHBondContact O-CB 3.49Å; Y130-A133 PolarHBondContact O-N 3.05Å; Y130-G134 PolarHBondContact O-N 2.93Å; Y130-I135 CarbonylContact C-O 3.45Å; Y130-I135 HydrophobicContact CD1-CB 4.2Å; Y130-I135 HydrophobicContact CD1-CG2 4.09Å; Y130-I135 WeakPolarHBondContact O-CB 3.47Å; Y130-I135 PolarHBondContact O-N 3.18Å; Y130-V140 HydrophobicContact CD1-CG2 4Å; Y130-V140 HydrophobicContact CD2-CB 4.46Å; Y130-V140 HydrophobicContact CD2-CG1 3.95Å; Y130-V140 HydrophobicContact CD2-CG2 3.74Å; Y130-V140 HydrophobicContact CE1-CG2 4.25Å; Y130-V140 HydrophobicContact CE2-CG1 3.74Å; Y130-V140 HydrophobicContact CE2-CG2 3.99Å; Y130-V140 HydrophobicContact CG-CG2 3.75Å
131	E	98.6	Very high	98.6	Very high	102 Å²	102	44.8 Å²	44.8	48%	0.477	26%	0.255	S	S	.	.	H	α-helix	trans	-64.1	-40.9	178.9	-70.7	177.4	160.3	0	0	111.7	I127 A128 A133 G134 I135	I127-E131 HydrophobicContact CG2-CG 4.25Å; I127-E131 WeakPolarHBondContact O-CG 3.38Å; I127-E131 PolarHBondContact O-N 3.06Å; A128-E131 PolarHBondContact O-N 3.16Å; E131-A133 PolarHBondContact O-N 3.01Å; E131-G134 WeakPolarHBondContact O-CA 3.21Å; E131-G134 PolarHBondContact O-N 2.99Å; E131-I135 WeakPolarHBondContact CA-O 3.38Å
132	E	98	Very high	98.6	Very high	131 Å²	131	42.4 Å²	42.4	61%	0.612	24%	0.236	S	C	*	.	H	α-helix	trans	-57.1	-31.6	171.4	-76.4	173.1	-163.9	0	0	112.6	A128 G134	A128-E132 WeakPolarHBondContact O-CB 3.47Å; A128-E132 VanDerWaalsContact O-CG 3.32Å; A128-E132 WeakPolarHBondContact O-CG 3.37Å; A128-E132 PolarHBondContact O-N 2.92Å; E132-G134 VanDerWaalsContact C-N 3.28Å
133	A	98.1	Very high	98.6	Very high	44 Å²	44	41 Å²	41	36%	0.364	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	8.5	175.6	0	0	0	0	0	113.4	L94 L129 Y130 E131	L94-A133 HydrophobicContact CD1-CB 3.56Å; L94-A133 HydrophobicContact CD2-CB 3.72Å; L94-A133 HydrophobicContact CG-CB 4.29Å; L129-A133 PolarHBondContact O-N 3.39Å; Y130-A133 CarbonylContact O-C 3.41Å; Y130-A133 WeakPolarHBondContact O-CA 3.17Å; Y130-A133 WeakPolarHBondContact O-CB 3.49Å; Y130-A133 PolarHBondContact O-N 3.05Å; E131-A133 PolarHBondContact O-N 3.01Å
134	G	98.3	Very high	98.6	Very high	66 Å²	66	41.1 Å²	41.1	68%	0.68	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	18.3	178.2	0	0	0	0	0	114.5	Y130 E131 E132	Y130-G134 PolarHBondContact O-N 2.93Å; E131-G134 WeakPolarHBondContact O-CA 3.21Å; E131-G134 PolarHBondContact O-N 2.99Å; E132-G134 VanDerWaalsContact C-N 3.28Å
135	I	98.6	Very high	98.6	Very high	36 Å²	36	38.7 Å²	38.7	19%	0.185	22%	0.218	C	C	.	.			trans	-100.8	122.9	177.7	-62.4	-53.3	0	0	0	110.3	L94 L97 Y130 E131 R139 V140	L94-I135 HydrophobicContact CD2-CB 4.34Å; L94-I135 HydrophobicContact CD2-CD1 4.39Å; L94-I135 HydrophobicContact CD2-CG1 3.37Å; L97-I135 HydrophobicContact CD1-CD1 4.46Å; L97-I135 HydrophobicContact CD1-CG1 4.23Å; L97-I135 HydrophobicContact CD1-CG2 3.58Å; Y130-I135 CarbonylContact C-O 3.45Å; Y130-I135 HydrophobicContact CD1-CB 4.2Å; Y130-I135 HydrophobicContact CD1-CG2 4.09Å; Y130-I135 WeakPolarHBondContact O-CB 3.47Å; Y130-I135 PolarHBondContact O-N 3.18Å; E131-I135 WeakPolarHBondContact CA-O 3.38Å; I135-R139 HydrophobicContact CG2-CB 3.91Å; I135-V140 HydrophobicContact CG2-CG2 4.15Å
136	S	98.1	Very high	98.6	Very high	57 Å²	57	35 Å²	35	40%	0.399	20%	0.202	S	C	.	.			trans	-63.5	140.5	170.3	177.2	0	0	0	0	110.7	D138 R139	S136-D138 PolarHBondContact O-N 3.04Å; S136-D138 PolarHBondContact OG-N 2.83Å; S136-D138 PolarHBondContact OG-OD2 3.38Å; S136-R139 WeakPolarHBondContact O-CB 3.3Å; S136-R139 PolarHBondContact O-N 3.41Å
137	K	97.7	Very high	98.6	Very high	59 Å²	59	35 Å²	35	26%	0.257	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-54	-23.3	171.3	67.8	-174	-179.9	-178.5	0	114	I127 R139 V140 H161 G162 V163	I127-K137 HydrophobicContact CD1-CB 4.03Å; I127-K137 HydrophobicContact CG2-CB 3.85Å; K137-R139 PolarHBondContact O-N 2.75Å; K137-R139 VanDerWaalsContact O-N 3.17Å; K137-V140 PolarHBondContact O-N 2.61Å; K137-V140 VanDerWaalsContact O-O 3.04Å; K137-H161 PolarHBondContact NZ-O 3.42Å; K137-G162 WeakPolarHBondContact CD-O 3.38Å; K137-G162 WeakPolarHBondContact CE-O 3.46Å; K137-V163 HydrophobicContact CD-CG2 4.34Å
138	D	98	Very high	98.6	Very high	95 Å²	95	36 Å²	36	51%	0.508	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-63.1	-21.2	175.7	-53.4	-40.7	0	0	0	113.1	S136 V140	S136-D138 PolarHBondContact O-N 3.04Å; S136-D138 PolarHBondContact OG-N 2.83Å; S136-D138 PolarHBondContact OG-OD2 3.38Å; D138-V140 VanDerWaalsContact C-N 3.32Å
139	R	98.4	Very high	98.6	Very high	76 Å²	76	36 Å²	36	29%	0.287	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-86.6	-1.5	174.8	-64.3	-69.8	-56.5	-85.7	1	112.6	L97 V100 G102 R103 V104 I135 S136 K137	L97-R139 HydrophobicContact CD1-CB 4.28Å; L97-R139 HydrophobicContact CD2-CB 4.06Å; L97-R139 WeakPolarHBondContact CD2-O 3.18Å; L97-R139 PolarHBondContact O-NH2 3.42Å; V100-R139 PolarHBondContact O-NH2 3.4Å; G102-R139 VanDerWaalsContact O-CZ 3.26Å; G102-R139 PolarHBondContact O-NE 3.33Å; G102-R139 PolarHBondContact O-NH2 3.43Å; R103-R139 CarbonylContact C-O 3.56Å; R103-R139 WeakPolarHBondContact CA-O 3.49Å; V104-R139 PolarHBondContact N-O 2.97Å; I135-R139 HydrophobicContact CG2-CB 3.91Å; S136-R139 WeakPolarHBondContact O-CB 3.3Å; S136-R139 PolarHBondContact O-N 3.41Å; K137-R139 PolarHBondContact O-N 2.75Å; K137-R139 VanDerWaalsContact O-N 3.17Å
140	V	98.8	Very high	98.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.2	-172.3	-175.2	0	0	0	0	110.1	V104 I127 Y130 I135 K137 D138 I142	V104-V140 WeakPolarHBondContact O-CA 3.45Å; I127-V140 HydrophobicContact CD1-CB 3.97Å; I127-V140 HydrophobicContact CD1-CG1 3.83Å; Y130-V140 HydrophobicContact CD1-CG2 4Å; Y130-V140 HydrophobicContact CD2-CB 4.46Å; Y130-V140 HydrophobicContact CD2-CG1 3.95Å; Y130-V140 HydrophobicContact CD2-CG2 3.74Å; Y130-V140 HydrophobicContact CE1-CG2 4.25Å; Y130-V140 HydrophobicContact CE2-CG1 3.74Å; Y130-V140 HydrophobicContact CE2-CG2 3.99Å; Y130-V140 HydrophobicContact CG-CG2 3.75Å; I135-V140 HydrophobicContact CG2-CG2 4.15Å; K137-V140 PolarHBondContact O-N 2.61Å; K137-V140 VanDerWaalsContact O-O 3.04Å; D138-V140 VanDerWaalsContact C-N 3.32Å; V140-I142 HydrophobicContact CG1-CD1 4.2Å
141	L	98.9	Very high	98.6	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.5	165	-70.4	169.3	0	0	0	108.4	R103 V104 S105 T106 K143 H164 N166 T185 L186	R103-L141 HydrophobicContact CB-CD1 4.43Å; R103-L141 HydrophobicContact CB-CG 4.44Å; V104-L141 PolarHBondContact O-N 3.04Å; S105-L141 CarbonylContact C-O 3.55Å; S105-L141 VanDerWaalsContact CA-O 3.25Å; S105-L141 WeakPolarHBondContact CA-O 3.4Å; T106-L141 PolarHBondContact N-O 2.92Å; L141-K143 PolarHBondContact O-N 2.87Å; L141-H164 CarbonylContact C-O 3.51Å; L141-H164 WeakPolarHBondContact CA-O 3.13Å; L141-H164 HydrophobicContact CD2-CB 3.67Å; L141-N166 HydrophobicContact CB-CB 4Å; L141-N166 HydrophobicContact CD1-CB 4.46Å; L141-T185 HydrophobicContact CD2-CG2 3.93Å; L141-L186 HydrophobicContact CD1-CD1 4.1Å
142	I	98.9	Very high	98.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.7	171.3	-64.7	-60.1	0	0	0	108.6	V108 A123 L126 I127 V140 L144 V163 H164 C165 N166	V108-I142 HydrophobicContact CG2-CG2 3.65Å; A123-I142 HydrophobicContact CB-CB 4.44Å; A123-I142 HydrophobicContact CB-CG1 4.26Å; A123-I142 HydrophobicContact CB-CG2 3.68Å; L126-I142 HydrophobicContact CB-CD1 4.03Å; L126-I142 HydrophobicContact CD1-CD1 4.35Å; I127-I142 HydrophobicContact CD1-CD1 3.9Å; I127-I142 HydrophobicContact CD1-CG1 3.93Å; I127-I142 HydrophobicContact CG1-CD1 4.03Å; I127-I142 HydrophobicContact CG1-CG1 3.99Å; V140-I142 HydrophobicContact CG1-CD1 4.2Å; I142-L144 HydrophobicContact CG2-CD2 4.11Å; I142-L144 HydrophobicContact CG2-CG 4.22Å; I142-V163 HydrophobicContact CB-CG1 4.23Å; I142-V163 HydrophobicContact CG1-CG1 3.58Å; I142-H164 PolarHBondContact N-O 3.46Å; I142-C165 CarbonylContact O-C 3.51Å; I142-C165 VanDerWaalsContact O-CA 3.22Å; I142-C165 WeakPolarHBondContact O-CA 3.39Å; I142-N166 PolarHBondContact O-N 2.75Å
143	K	98.9	Very high	98.7	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.035	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126	-174.3	-172.1	177.9	177.7	-148.4	0	110.4	T45 T106 E107 V108 L141 N166 T168	T45-K143 PolarHBondContact O-NZ 2.7Å; T45-K143 VanDerWaalsContact O-NZ 3.1Å; T106-K143 PolarHBondContact O-N 3Å; E107-K143 WeakPolarHBondContact CA-O 3.47Å; E107-K143 HydrophobicContact CB-CB 4.04Å; E107-K143 HydrophobicContact CB-CD 4.26Å; E107-K143 HydrophobicContact CB-CG 4.34Å; E107-K143 HydrophobicContact CG-CB 4.05Å; E107-K143 HydrophobicContact CG-CD 4.18Å; E107-K143 HydrophobicContact CG-CG 3.97Å; E107-K143 WeakPolarHBondContact OE2-CD 3.37Å; E107-K143 WeakPolarHBondContact OE2-CE 3.47Å; E107-K143 IonicContact OE2-NZ 2.75Å; E107-K143 PolarHBondContact OE2-NZ 2.82Å; V108-K143 PolarHBondContact N-O 2.93Å; L141-K143 PolarHBondContact O-N 2.87Å; K143-N166 WeakPolarHBondContact CA-O 3.47Å; K143-N166 HydrophobicContact CB-CB 4.16Å; K143-N166 HydrophobicContact CG-CB 4.18Å; K143-N166 WeakPolarHBondContact CG-O 3.22Å; K143-T168 HydrophobicContact CD-CG2 4.25Å; K143-T168 WeakPolarHBondContact CE-OG1 3.4Å; K143-T168 HydrophobicContact CG-CG2 3.66Å
144	L	98.9	Very high	98.7	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.5	-173	-61.5	174.5	0	0	0	110.3	V108 M119 I142 S146 A153 L157 N166 M167 T168	V108-L144 HydrophobicContact CB-CD2 3.71Å; V108-L144 HydrophobicContact CG1-CD2 4.22Å; V108-L144 HydrophobicContact CG2-CD2 3.55Å; M119-L144 HydrophobicContact CB-CD2 4.24Å; M119-L144 HydrophobicContact CG-CD2 4.33Å; M119-L144 HydrophobicContact SD-CD2 4.15Å; I142-L144 HydrophobicContact CG2-CD2 4.11Å; I142-L144 HydrophobicContact CG2-CG 4.22Å; L144-S146 PolarHBondContact O-N 2.99Å; L144-A153 HydrophobicContact CD1-CB 4.21Å; L144-L157 HydrophobicContact CD1-CD1 3.9Å; L144-N166 PolarHBondContact N-O 3.32Å; L144-M167 HydrophobicContact CB-CE 3.83Å; L144-M167 HydrophobicContact CB-SD 4.16Å; L144-M167 HydrophobicContact CD1-SD 4.42Å; L144-T168 WeakPolarHBondContact O-CG2 3.49Å; L144-T168 PolarHBondContact O-N 2.88Å
145	S	98.9	Very high	98.7	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.028	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	134.5	169.9	-59.7	0	0	0	0	110.3	S113 T147	S113-S145 WeakPolarHBondContact OG-CB 3.49Å; S113-S145 PolarHBondContact OG-OG 3.1Å; S145-T147 PolarHBondContact O-N 3.16Å
146	S	98.9	Very high	98.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.			trans	-79.9	48.9	-178.9	-55.7	0	0	0	0	112.9	L144 M167 T168 Q175	L144-S146 PolarHBondContact O-N 2.99Å; S146-M167 WeakPolarHBondContact OG-CB 3.42Å; S146-T168 VanDerWaalsContact CB-O 3.25Å; S146-T168 WeakPolarHBondContact CB-O 3.38Å; S146-T168 PolarHBondContact N-O 3.23Å; S146-T168 PolarHBondContact OG-O 2.88Å; S146-Q175 WeakPolarHBondContact O-CG 3.39Å; S146-Q175 PolarHBondContact O-NE2 2.74Å
147	T	98.9	Very high	98.8	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	11%	0.106	C	C	.	.	S	Bend	trans	-73.1	170.7	162.6	56.1	0	0	0	0	109.5	S113 F114 S145 E149 G150 I151 L309 I313	S113-T147 WeakPolarHBondContact O-CB 3.26Å; S113-T147 WeakPolarHBondContact O-CG2 3.34Å; S113-T147 PolarHBondContact O-OG1 3.02Å; F114-T147 HydrophobicContact CD1-CG2 3.94Å; F114-T147 HydrophobicContact CE1-CG2 3.53Å; F114-T147 HydrophobicContact CZ-CG2 4.1Å; S145-T147 PolarHBondContact O-N 3.16Å; T147-E149 VanDerWaalsContact C-N 3.31Å; T147-E149 PolarHBondContact O-N 3.35Å; T147-G150 PolarHBondContact O-N 3.48Å; T147-G150 PolarHBondContact OG1-N 2.94Å; T147-I151 WeakPolarHBondContact O-CD1 3.23Å; T147-I151 WeakPolarHBondContact O-CG1 3.35Å; T147-I151 PolarHBondContact O-N 3.35Å; T147-L309 HydrophobicContact CG2-CD1 4.39Å; T147-L309 HydrophobicContact CG2-CD2 4.26Å; T147-I313 HydrophobicContact CG2-CD1 3.64Å
148	W	98.9	Very high	98.8	Very high	28 Å²	28	22 Å²	22	11%	0.106	10%	0.101	C	C	.	.	H	α-helix	trans	-57.7	-50.4	172	178.5	-111.1	0	0	0	110.2	G150 I151 Q152 E292 F295	W148-G150 VanDerWaalsContact C-N 3.29Å; W148-G150 PolarHBondContact O-N 2.97Å; W148-I151 PolarHBondContact O-N 3.26Å; W148-I151 VanDerWaalsContact O-N 3.16Å; W148-Q152 HydrophobicContact CD2-CG 4.22Å; W148-Q152 HydrophobicContact CG-CG 4.45Å; W148-Q152 HydrophobicContact CZ2-CG 4.16Å; W148-Q152 VanDerWaalsContact O-CG 3.3Å; W148-Q152 WeakPolarHBondContact O-CG 3.19Å; W148-Q152 PolarHBondContact O-N 2.95Å; W148-E292 VanDerWaalsContact CD1-CD 3.49Å; W148-E292 HydrophobicContact CD2-CB 4.26Å; W148-E292 HydrophobicContact CD2-CG 3.96Å; W148-E292 HydrophobicContact CG-CG 4.12Å; W148-E292 HydrophobicContact CH2-CB 4.01Å; W148-E292 HydrophobicContact CZ2-CB 3.41Å; W148-E292 VanDerWaalsContact CZ2-CB 3.41Å; W148-E292 HydrophobicContact CZ2-CG 3.98Å; W148-E292 PolarHBondContact NE1-OE2 3.27Å; W148-F295 HydrophobicContact CB-CD1 3.89Å; W148-F295 HydrophobicContact CB-CE1 3.63Å; W148-F295 HydrophobicContact CD2-CD1 4.08Å; W148-F295 HydrophobicContact CE3-CB 3.73Å; W148-F295 AromaticContact CE3-CD1 3.45Å; W148-F295 HydrophobicContact CE3-CD1 3.45Å; W148-F295 VanDerWaalsContact CE3-CD1 3.45Å; W148-F295 HydrophobicContact CE3-CD2 4.2Å; W148-F295 HydrophobicContact CE3-CE1 4.14Å; W148-F295 AromaticContact CE3-CG 3.49Å; W148-F295 HydrophobicContact CE3-CG 3.49Å; W148-F295 VanDerWaalsContact CE3-CG 3.49Å; W148-F295 HydrophobicContact CG-CD1 4.29Å; W148-F295 HydrophobicContact CG-CE1 4.49Å; W148-F295 HydrophobicContact CZ3-CB 3.67Å; W148-F295 HydrophobicContact CZ3-CD1 4.29Å; W148-F295 AromaticContact CZ3-CG 3.9Å; W148-F295 HydrophobicContact CZ3-CG 3.9Å
149	E	98.9	Very high	98.9	Very high	37 Å²	37	24.3 Å²	24.3	17%	0.173	11%	0.108	C	C	.	.	H	α-helix	trans	-59.6	-40.3	-178.7	-61	75.1	-160.4	0	0	111.3	K116 M119 T147 Q152 A153 R296	K116-E149 HydrophobicContact CB-CB 4.25Å; M119-E149 VanDerWaalsContact CE-C 3.49Å; M119-E149 HydrophobicContact CE-CB 3.96Å; T147-E149 VanDerWaalsContact C-N 3.31Å; T147-E149 PolarHBondContact O-N 3.35Å; E149-Q152 PolarHBondContact O-N 3.4Å; E149-A153 WeakPolarHBondContact O-CB 3.22Å; E149-A153 PolarHBondContact O-N 2.92Å; E149-R296 IonicContact OE1-CZ 3.87Å; E149-R296 IonicContact OE1-NH1 3.22Å; E149-R296 IonicContact OE1-NH2 3.44Å; E149-R296 PolarHBondContact OE1-NH2 2.81Å
150	G	98.9	Very high	98.9	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-67.9	-39.1	177.5	0	0	0	0	0	113	M119 T147 W148 A153 G154 M167	M119-G150 VanDerWaalsContact CE-N 3.33Å; T147-G150 PolarHBondContact O-N 3.48Å; T147-G150 PolarHBondContact OG1-N 2.94Å; W148-G150 VanDerWaalsContact C-N 3.29Å; W148-G150 PolarHBondContact O-N 2.97Å; G150-A153 PolarHBondContact O-N 3.5Å; G150-G154 PolarHBondContact O-N 3.43Å; G150-M167 WeakPolarHBondContact O-CE 3.44Å
151	I	98.9	Very high	98.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.3	-42.1	174.4	-66.5	167.4	0	0	0	110.5	T147 W148 A153 G154 K155 M167 A178 A182 F295	T147-I151 WeakPolarHBondContact O-CD1 3.23Å; T147-I151 WeakPolarHBondContact O-CG1 3.35Å; T147-I151 PolarHBondContact O-N 3.35Å; W148-I151 PolarHBondContact O-N 3.26Å; W148-I151 VanDerWaalsContact O-N 3.16Å; I151-A153 VanDerWaalsContact C-N 3.34Å; I151-A153 PolarHBondContact O-N 2.74Å; I151-G154 PolarHBondContact O-N 2.8Å; I151-K155 PolarHBondContact O-N 3.3Å; I151-M167 HydrophobicContact CG1-CE 3.98Å; I151-A178 HydrophobicContact CD1-CB 3.89Å; I151-A178 HydrophobicContact CG2-CB 4.27Å; I151-A182 HydrophobicContact CG2-CB 3.75Å; I151-F295 HydrophobicContact CD1-CE2 4.17Å; I151-F295 HydrophobicContact CD1-CZ 4.44Å
152	Q	98.9	Very high	98.9	Very high	55 Å²	55	31.4 Å²	31.4	26%	0.257	15%	0.15	S	C	.	.	H	α-helix	trans	-67.6	-34.1	176.4	-60.2	-55.6	87.6	0	0	112.3	K116 W148 E149 E156	K116-Q152 HydrophobicContact CD-CB 3.88Å; K116-Q152 HydrophobicContact CG-CB 4.34Å; W148-Q152 HydrophobicContact CD2-CG 4.22Å; W148-Q152 HydrophobicContact CG-CG 4.45Å; W148-Q152 HydrophobicContact CZ2-CG 4.16Å; W148-Q152 VanDerWaalsContact O-CG 3.3Å; W148-Q152 WeakPolarHBondContact O-CG 3.19Å; W148-Q152 PolarHBondContact O-N 2.95Å; E149-Q152 PolarHBondContact O-N 3.4Å; Q152-E156 PolarHBondContact O-N 3.22Å; Q152-E156 VanDerWaalsContact O-N 3.14Å
153	A	98.9	Very high	98.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.6	-45.8	171.6	0	0	0	0	0	111.1	K116 M119 V120 L144 E149 G150 I151 K155 E156 L157	K116-A153 HydrophobicContact CG-CB 3.96Å; M119-A153 HydrophobicContact CB-CB 3.93Å; M119-A153 HydrophobicContact CE-CB 4.28Å; V120-A153 HydrophobicContact CG2-CB 3.82Å; L144-A153 HydrophobicContact CD1-CB 4.21Å; E149-A153 WeakPolarHBondContact O-CB 3.22Å; E149-A153 PolarHBondContact O-N 2.92Å; G150-A153 PolarHBondContact O-N 3.5Å; I151-A153 VanDerWaalsContact C-N 3.34Å; I151-A153 PolarHBondContact O-N 2.74Å; A153-K155 VanDerWaalsContact C-N 3.34Å; A153-K155 PolarHBondContact O-N 3.48Å; A153-E156 PolarHBondContact O-N 3.47Å; A153-L157 WeakPolarHBondContact O-CB 3.46Å; A153-L157 WeakPolarHBondContact O-CG 3.27Å; A153-L157 PolarHBondContact O-N 3.4Å
154	G	98.9	Very high	98.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.5	-43.4	175	0	0	0	0	0	112.5	G150 I151 E156 L157 E158	G150-G154 PolarHBondContact O-N 3.43Å; I151-G154 PolarHBondContact O-N 2.8Å; G154-E156 PolarHBondContact O-N 3.33Å; G154-L157 PolarHBondContact O-N 2.92Å; G154-E158 WeakPolarHBondContact O-CG 3.22Å; G154-E158 PolarHBondContact O-N 2.84Å
155	K	98.9	Very high	98.9	Very high	83 Å²	83	33.6 Å²	33.6	36%	0.361	16%	0.16	S	C	.	.	H	α-helix	trans	-56.3	-49.4	173.8	-173	-173.9	172.2	-163.4	0	111.7	I151 A153 E158 E159 A182	I151-K155 PolarHBondContact O-N 3.3Å; A153-K155 VanDerWaalsContact C-N 3.34Å; A153-K155 PolarHBondContact O-N 3.48Å; K155-E158 PolarHBondContact O-N 3.3Å; K155-E159 WeakPolarHBondContact CE-OE2 3.38Å; K155-E159 VanDerWaalsContact O-CB 3.23Å; K155-E159 WeakPolarHBondContact O-CB 3.38Å; K155-E159 PolarHBondContact O-N 2.65Å; K155-A182 HydrophobicContact CB-CB 3.88Å; K155-A182 HydrophobicContact CG-CB 4.24Å
156	E	98.9	Very high	98.9	Very high	40 Å²	40	33.4 Å²	33.4	19%	0.187	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-42.4	-178.6	176.3	151.8	-172.6	0	0	112.3	K116 V120 Q152 A153 G154 E158 K160	K116-E156 WeakPolarHBondContact CE-OE2 3.13Å; K116-E156 IonicContact NZ-OE2 3.59Å; K116-E156 PolarHBondContact NZ-OE2 2.83Å; V120-E156 HydrophobicContact CG2-CB 4.37Å; V120-E156 HydrophobicContact CG2-CG 4.33Å; Q152-E156 PolarHBondContact O-N 3.22Å; Q152-E156 VanDerWaalsContact O-N 3.14Å; A153-E156 PolarHBondContact O-N 3.47Å; G154-E156 PolarHBondContact O-N 3.33Å; E156-E158 PolarHBondContact O-N 2.9Å; E156-K160 HydrophobicContact CG-CD 3.88Å; E156-K160 HydrophobicContact CG-CG 4.32Å; E156-K160 WeakPolarHBondContact O-CB 3.38Å; E156-K160 PolarHBondContact O-N 3.14Å; E156-K160 IonicContact OE1-NZ 2.81Å; E156-K160 PolarHBondContact OE1-NZ 2.94Å; E156-K160 IonicContact OE2-NZ 3.4Å; E156-K160 PolarHBondContact OE2-NZ 3.28Å
157	L	98.9	Very high	98.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-60.1	-44.5	176.2	-74.7	165.1	0	0	0	112.2	V120 A123 L124 L144 A153 G154 H161 G162 V163	V120-L157 HydrophobicContact CG1-CD2 4.13Å; V120-L157 HydrophobicContact CG2-CG 4.33Å; A123-L157 HydrophobicContact CB-CD1 3.54Å; A123-L157 HydrophobicContact CB-CD2 3.68Å; A123-L157 HydrophobicContact CB-CG 4.27Å; L124-L157 HydrophobicContact CD2-CD2 4.05Å; L124-L157 HydrophobicContact CG-CD2 4.15Å; L144-L157 HydrophobicContact CD1-CD1 3.9Å; A153-L157 WeakPolarHBondContact O-CB 3.46Å; A153-L157 WeakPolarHBondContact O-CG 3.27Å; A153-L157 PolarHBondContact O-N 3.4Å; G154-L157 PolarHBondContact O-N 2.92Å; L157-H161 CarbonylContact O-C 3.57Å; L157-H161 WeakPolarHBondContact O-CA 3.42Å; L157-H161 WeakPolarHBondContact O-CB 3.22Å; L157-H161 PolarHBondContact O-N 2.87Å; L157-G162 PolarHBondContact O-N 3.4Å; L157-V163 CarbonylContact C-O 3.56Å; L157-V163 HydrophobicContact CB-CB 4.15Å; L157-V163 HydrophobicContact CB-CG1 4.46Å; L157-V163 HydrophobicContact CD2-CB 4.19Å; L157-V163 HydrophobicContact CD2-CG1 4.27Å; L157-V163 PolarHBondContact O-N 3.29Å
158	E	98.8	Very high	98.9	Very high	31 Å²	31	33.3 Å²	33.3	15%	0.145	16%	0.158	C	C	.	.	I	π-helix	trans	-69.1	-51.3	178.3	-65	-83.9	-164.3	0	0	111.4	G154 K155 E156 G162 H164 C165 T185	G154-E158 WeakPolarHBondContact O-CG 3.22Å; G154-E158 PolarHBondContact O-N 2.84Å; K155-E158 PolarHBondContact O-N 3.3Å; E156-E158 PolarHBondContact O-N 2.9Å; E158-G162 WeakPolarHBondContact O-CA 3.48Å; E158-G162 PolarHBondContact O-N 2.9Å; E158-H164 WeakPolarHBondContact OE1-CA 3.41Å; E158-H164 IonicContact OE2-CE1 2.77Å; E158-H164 IonicContact OE2-CG 2.84Å; E158-H164 IonicContact OE2-ND1 2.75Å; E158-H164 PolarHBondContact OE2-ND1 3.46Å; E158-C165 HydrophobicContact CG-CB 4.42Å; E158-C165 PolarHBondContact OE1-N 3.31Å; E158-T185 VanDerWaalsContact CD-OG1 3.22Å; E158-T185 WeakPolarHBondContact OE1-CB 3.26Å; E158-T185 PolarHBondContact OE1-N 3.15Å; E158-T185 PolarHBondContact OE1-OG1 3.26Å; E158-T185 PolarHBondContact OE2-OG1 3.25Å; E158-T185 VanDerWaalsContact OE2-OG1 3.12Å
159	E	98.6	Very high	98.8	Very high	142 Å²	142	32 Å²	32	66%	0.664	15%	0.153	S	C	*	.	I	π-helix	trans	-73.2	-41.5	-171.4	-175.2	175.1	-173.6	0	0	113	K155	K155-E159 WeakPolarHBondContact CE-OE2 3.38Å; K155-E159 VanDerWaalsContact O-CB 3.23Å; K155-E159 WeakPolarHBondContact O-CB 3.38Å; K155-E159 PolarHBondContact O-N 2.65Å
160	K	98.7	Very high	98.8	Very high	133 Å²	133	30.2 Å²	30.2	58%	0.578	15%	0.145	S	C	*	.	I	π-helix	trans	-98.9	-31.6	-173.4	-57.4	-170.4	-165.3	165.6	0	113.7	E156	E156-K160 HydrophobicContact CG-CD 3.88Å; E156-K160 HydrophobicContact CG-CG 4.32Å; E156-K160 WeakPolarHBondContact O-CB 3.38Å; E156-K160 PolarHBondContact O-N 3.14Å; E156-K160 IonicContact OE1-NZ 2.81Å; E156-K160 PolarHBondContact OE1-NZ 2.94Å; E156-K160 IonicContact OE2-NZ 3.4Å; E156-K160 PolarHBondContact OE2-NZ 3.28Å
161	H	98.6	Very high	98.8	Very high	67 Å²	67	30.2 Å²	30.2	31%	0.31	15%	0.145	S	C	.	.	I	π-helix	trans	-112.7	-11.5	-171.6	-56.5	-78.7	0	0	0	113.2	L124 K137 L157 V163	L124-H161 HydrophobicContact CD2-CB 3.89Å; K137-H161 PolarHBondContact NZ-O 3.42Å; L157-H161 CarbonylContact O-C 3.57Å; L157-H161 WeakPolarHBondContact O-CA 3.42Å; L157-H161 WeakPolarHBondContact O-CB 3.22Å; L157-H161 PolarHBondContact O-N 2.87Å; H161-V163 HydrophobicContact CB-CB 4.49Å; H161-V163 HydrophobicContact CB-CG2 3.97Å; H161-V163 PolarHBondContact O-N 3.46Å
162	G	98.6	Very high	98.8	Very high	27 Å²	27	30.3 Å²	30.3	28%	0.278	15%	0.145	S	C	.	.			trans	57.1	36.6	-173	0	0	0	0	0	111.8	K137 L157 E158	K137-G162 WeakPolarHBondContact CD-O 3.38Å; K137-G162 WeakPolarHBondContact CE-O 3.46Å; L157-G162 PolarHBondContact O-N 3.4Å; E158-G162 WeakPolarHBondContact O-CA 3.48Å; E158-G162 PolarHBondContact O-N 2.9Å
163	V	98.8	Very high	98.8	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	14%	0.142	C	C	.	.			trans	-100	114.4	175.7	171	0	0	0	0	108.1	L124 I127 K137 I142 L157 H161 C165	L124-V163 HydrophobicContact CD2-CG2 4.16Å; I127-V163 HydrophobicContact CD1-CG1 4.1Å; I127-V163 HydrophobicContact CG1-CG1 3.76Å; I127-V163 HydrophobicContact CG1-CG2 3.99Å; K137-V163 HydrophobicContact CD-CG2 4.34Å; I142-V163 HydrophobicContact CB-CG1 4.23Å; I142-V163 HydrophobicContact CG1-CG1 3.58Å; L157-V163 CarbonylContact C-O 3.56Å; L157-V163 HydrophobicContact CB-CB 4.15Å; L157-V163 HydrophobicContact CB-CG1 4.46Å; L157-V163 HydrophobicContact CD2-CB 4.19Å; L157-V163 HydrophobicContact CD2-CG1 4.27Å; L157-V163 PolarHBondContact O-N 3.29Å; H161-V163 HydrophobicContact CB-CB 4.49Å; H161-V163 HydrophobicContact CB-CG2 3.97Å; H161-V163 PolarHBondContact O-N 3.46Å; V163-C165 PolarHBondContact O-SG 3.11Å
164	H	98.9	Very high	98.8	Very high	55 Å²	55	29.9 Å²	29.9	26%	0.255	14%	0.144	S	C	.	.			trans	-73.7	134.2	-175.3	-62.3	-41.1	0	0	0	112.3	L141 I142 E158 T185	L141-H164 CarbonylContact C-O 3.51Å; L141-H164 WeakPolarHBondContact CA-O 3.13Å; L141-H164 HydrophobicContact CD2-CB 3.67Å; I142-H164 PolarHBondContact N-O 3.46Å; E158-H164 WeakPolarHBondContact OE1-CA 3.41Å; E158-H164 IonicContact OE2-CE1 2.77Å; E158-H164 IonicContact OE2-CG 2.84Å; E158-H164 IonicContact OE2-ND1 2.75Å; E158-H164 PolarHBondContact OE2-ND1 3.46Å; H164-T185 HydrophobicContact CB-CG2 4.22Å; H164-T185 WeakPolarHBondContact CB-OG1 3.37Å; H164-T185 PolarHBondContact ND1-OG1 3.5Å; H164-T185 VanDerWaalsContact ND1-OG1 3.1Å
165	C	98.9	Very high	98.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	144.9	-172.4	-66.6	0	0	0	0	112.9	I142 E158 V163 M167 L186	I142-C165 CarbonylContact O-C 3.51Å; I142-C165 VanDerWaalsContact O-CA 3.22Å; I142-C165 WeakPolarHBondContact O-CA 3.39Å; E158-C165 HydrophobicContact CG-CB 4.42Å; E158-C165 PolarHBondContact OE1-N 3.31Å; V163-C165 PolarHBondContact O-SG 3.11Å; C165-M167 HydrophobicContact CB-SD 4.18Å; C165-L186 PolarHBondContact O-N 2.74Å
166	N	98.9	Very high	98.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	107.3	168.3	174.5	-0.1	0	0	0	109.3	S105 L141 I142 K143 L144 T168 L186 S188	S105-N166 PolarHBondContact OG-ND2 3.09Å; L141-N166 HydrophobicContact CB-CB 4Å; L141-N166 HydrophobicContact CD1-CB 4.46Å; I142-N166 PolarHBondContact O-N 2.75Å; K143-N166 WeakPolarHBondContact CA-O 3.47Å; K143-N166 HydrophobicContact CB-CB 4.16Å; K143-N166 HydrophobicContact CG-CB 4.18Å; K143-N166 WeakPolarHBondContact CG-O 3.22Å; L144-N166 PolarHBondContact N-O 3.32Å; N166-T168 PolarHBondContact O-N 3.44Å; N166-L186 WeakPolarHBondContact CA-O 3.36Å; N166-L186 HydrophobicContact CB-CD2 3.93Å; N166-L186 WeakPolarHBondContact OD1-CD2 3.32Å; N166-S188 PolarHBondContact ND2-OG 2.9Å; N166-S188 WeakPolarHBondContact OD1-CB 3.45Å; N166-S188 PolarHBondContact OD1-OG 3.29Å
167	M	98.9	Very high	98.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	110	179.6	-54.6	-48.7	-57.4	0	0	110.7	L144 S146 G150 I151 C165 V184 L186 I187 S188	L144-M167 HydrophobicContact CB-CE 3.83Å; L144-M167 HydrophobicContact CB-SD 4.16Å; L144-M167 HydrophobicContact CD1-SD 4.42Å; S146-M167 WeakPolarHBondContact OG-CB 3.42Å; G150-M167 WeakPolarHBondContact O-CE 3.44Å; I151-M167 HydrophobicContact CG1-CE 3.98Å; C165-M167 HydrophobicContact CB-SD 4.18Å; M167-V184 HydrophobicContact CG-CB 3.86Å; M167-V184 HydrophobicContact CG-CG1 3.77Å; M167-V184 HydrophobicContact CG-CG2 3.61Å; M167-V184 HydrophobicContact SD-CB 4.48Å; M167-V184 HydrophobicContact SD-CG1 3.97Å; M167-L186 PolarHBondContact N-O 3.14Å; M167-I187 HydrophobicContact CB-CG2 3.94Å; M167-I187 HydrophobicContact CG-CG2 4.36Å; M167-S188 PolarHBondContact O-N 2.64Å
168	T	98.8	Very high	98.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	177.4	-175.2	-169.1	0	0	0	0	112.2	K143 L144 S146 N166 L170 F190	K143-T168 HydrophobicContact CD-CG2 4.25Å; K143-T168 WeakPolarHBondContact CE-OG1 3.4Å; K143-T168 HydrophobicContact CG-CG2 3.66Å; L144-T168 WeakPolarHBondContact O-CG2 3.49Å; L144-T168 PolarHBondContact O-N 2.88Å; S146-T168 VanDerWaalsContact CB-O 3.25Å; S146-T168 WeakPolarHBondContact CB-O 3.38Å; S146-T168 PolarHBondContact N-O 3.23Å; S146-T168 PolarHBondContact OG-O 2.88Å; N166-T168 PolarHBondContact O-N 3.44Å; T168-L170 PolarHBondContact O-N 3.43Å; T168-F190 WeakPolarHBondContact OG1-CE1 3.36Å
169	L	98.8	Very high	98.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.7	39.3	-174.5	-62.8	179.1	0	0	0	111.1	F171 Q175 F190 L309 I313 F316	L169-F171 VanDerWaalsContact C-CE2 3.46Å; L169-F171 HydrophobicContact CB-CE2 3.87Å; L169-F171 HydrophobicContact CB-CZ 4.48Å; L169-F171 HydrophobicContact CD2-CE2 4.16Å; L169-F171 HydrophobicContact CD2-CZ 4.06Å; L169-F171 WeakPolarHBondContact O-CD2 3.39Å; L169-F171 VanDerWaalsContact O-CE2 3.28Å; L169-F171 WeakPolarHBondContact O-CE2 3.31Å; L169-Q175 PolarHBondContact O-NE2 2.72Å; L169-Q175 VanDerWaalsContact O-NE2 3.09Å; L169-F190 HydrophobicContact CD2-CD2 4.5Å; L169-F190 HydrophobicContact CD2-CE2 3.8Å; L169-F190 HydrophobicContact CD2-CZ 4.06Å; L169-L309 HydrophobicContact CB-CD1 3.8Å; L169-L309 HydrophobicContact CD1-CD1 4.46Å; L169-I313 HydrophobicContact CD1-CG1 3.8Å; L169-F316 HydrophobicContact CD1-CD2 3.93Å; L169-F316 HydrophobicContact CD1-CE2 3.98Å; L169-F316 HydrophobicContact CD2-CD2 4.45Å; L169-F316 HydrophobicContact CD2-CE2 3.78Å; L169-F316 HydrophobicContact CD2-CZ 4.48Å; L169-F316 HydrophobicContact CG-CD2 4.39Å; L169-F316 HydrophobicContact CG-CE2 3.92Å
170	L	98.9	Very high	98.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.6	179.7	-165.6	153.8	0	0	0	108.8	T168 Q175 A176 I187 P189 F190 I221	T168-L170 PolarHBondContact O-N 3.43Å; L170-Q175 HydrophobicContact CD1-CB 4.11Å; L170-Q175 HydrophobicContact CD2-CB 4.35Å; L170-Q175 HydrophobicContact CG-CB 3.74Å; L170-A176 HydrophobicContact CD2-CB 4.06Å; L170-I187 HydrophobicContact CD1-CB 3.99Å; L170-I187 HydrophobicContact CD1-CD1 4.23Å; L170-I187 HydrophobicContact CD1-CG2 3.9Å; L170-P189 HydrophobicContact CD2-CB 3.92Å; L170-P189 WeakPolarHBondContact O-CA 3.43Å; L170-F190 PolarHBondContact O-N 2.97Å; L170-I221 HydrophobicContact CD2-CD1 3.74Å
171	F	98.9	Very high	98.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.			trans	-126.9	-45	-173.2	-60.6	-74.6	0	0	0	112.2	L169 F190 R193 I194 S217 M304 A305 K308 L309	L169-F171 VanDerWaalsContact C-CE2 3.46Å; L169-F171 HydrophobicContact CB-CE2 3.87Å; L169-F171 HydrophobicContact CB-CZ 4.48Å; L169-F171 HydrophobicContact CD2-CE2 4.16Å; L169-F171 HydrophobicContact CD2-CZ 4.06Å; L169-F171 WeakPolarHBondContact O-CD2 3.39Å; L169-F171 VanDerWaalsContact O-CE2 3.28Å; L169-F171 WeakPolarHBondContact O-CE2 3.31Å; F171-F190 HydrophobicContact CD1-CB 4.07Å; F171-F190 HydrophobicContact CE1-CB 3.58Å; F171-F190 AromaticContact CE1-CD2 3.91Å; F171-F190 HydrophobicContact CE1-CD2 3.91Å; F171-F190 HydrophobicContact CE1-CG 4.02Å; F171-F190 HydrophobicContact CZ-CB 4.31Å; F171-F190 AromaticContact CZ-CD2 3.9Å; F171-F190 HydrophobicContact CZ-CD2 3.9Å; F171-F190 HydrophobicContact CZ-CG 4.27Å; F171-R193 HydrophobicContact CE1-CB 3.9Å; F171-I194 HydrophobicContact CD1-CD1 4.44Å; F171-I194 HydrophobicContact CD1-CG1 3.98Å; F171-S217 PolarHBondContact O-OG 3.28Å; F171-M304 HydrophobicContact CB-CE 4.22Å; F171-M304 HydrophobicContact CB-SD 4.17Å; F171-M304 HydrophobicContact CD1-SD 4.33Å; F171-A305 HydrophobicContact CB-CB 3.62Å; F171-K308 HydrophobicContact CD1-CB 4Å; F171-K308 HydrophobicContact CD2-CB 4.12Å; F171-K308 HydrophobicContact CE1-CB 3.83Å; F171-K308 VanDerWaalsContact CE2-C 3.46Å; F171-K308 HydrophobicContact CE2-CB 3.97Å; F171-K308 WeakPolarHBondContact CE2-O 3.48Å; F171-K308 HydrophobicContact CG-CB 4.15Å; F171-K308 HydrophobicContact CZ-CB 3.83Å; F171-L309 HydrophobicContact CD2-CB 4.1Å; F171-L309 HydrophobicContact CE2-CB 4.3Å
172	S	98.9	Very high	98.9	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.007	6%	0.055	C	C	.	.	S	Bend	trans	-87.9	156.3	-178	61.6	0	0	0	0	112.7	A174 Q175 A176 H299 A305	S172-A174 VanDerWaalsContact C-N 3.28Å; S172-A174 PolarHBondContact O-N 3.45Å; S172-Q175 PolarHBondContact O-N 2.92Å; S172-Q175 WeakPolarHBondContact OG-CG 3.48Å; S172-Q175 PolarHBondContact OG-N 3.14Å; S172-Q175 PolarHBondContact OG-OE1 2.89Å; S172-A176 PolarHBondContact O-N 2.76Å; S172-H299 PolarHBondContact OG-ND1 3.39Å; S172-A305 VanDerWaalsContact CB-CB 3.47Å
173	F	98.9	Very high	98.9	Very high	41 Å²	41	15.8 Å²	15.8	18%	0.18	8%	0.075	C	C	.	.	H	α-helix	trans	-65.3	-32.1	170	-170.5	-113.7	0	0	0	112.6	Q175 A176 V177 K220 I221 Y224 I288	F173-Q175 PolarHBondContact O-N 3.19Å; F173-A176 WeakPolarHBondContact O-CB 3.49Å; F173-A176 PolarHBondContact O-N 2.89Å; F173-A176 VanDerWaalsContact O-N 3.13Å; F173-V177 HydrophobicContact CD1-CG2 4.07Å; F173-V177 HydrophobicContact CE1-CG2 3.69Å; F173-V177 HydrophobicContact CE2-CG2 4.37Å; F173-V177 HydrophobicContact CZ-CG2 3.86Å; F173-V177 PolarHBondContact O-N 3.07Å; F173-K220 HydrophobicContact CD2-CD 4.09Å; F173-K220 HydrophobicContact CD2-CG 4.1Å; F173-K220 HydrophobicContact CE2-CD 4.43Å; F173-K220 HydrophobicContact CE2-CG 4.08Å; F173-K220 HydrophobicContact CG-CD 4.42Å; F173-I221 HydrophobicContact CD2-CG1 4.21Å; F173-Y224 HydrophobicContact CE2-CD1 4.33Å; F173-Y224 HydrophobicContact CE2-CD2 4.21Å; F173-Y224 AromaticContact CE2-CG 3.88Å; F173-Y224 HydrophobicContact CE2-CG 3.88Å; F173-Y224 HydrophobicContact CZ-CD1 4.13Å; F173-Y224 AromaticContact CZ-CD2 3.51Å; F173-Y224 HydrophobicContact CZ-CD2 3.51Å; F173-Y224 AromaticContact CZ-CE2 3.9Å; F173-Y224 HydrophobicContact CZ-CE2 3.9Å; F173-Y224 AromaticContact CZ-CG 3.62Å; F173-Y224 HydrophobicContact CZ-CG 3.62Å; F173-I288 HydrophobicContact CD1-CD1 4.4Å; F173-I288 HydrophobicContact CE1-CD1 3.99Å
174	A	98.9	Very high	98.9	Very high	6 Å²	6	15.8 Å²	15.8	5%	0.05	7%	0.074	C	C	.	.	H	α-helix	trans	-59	-44.7	176.1	0	0	0	0	0	112.1	S172 A176 V177 A178 L290 F295 E298 H299	S172-A174 VanDerWaalsContact C-N 3.28Å; S172-A174 PolarHBondContact O-N 3.45Å; A174-A176 VanDerWaalsContact C-N 3.35Å; A174-A176 PolarHBondContact O-N 3.47Å; A174-V177 PolarHBondContact O-N 2.87Å; A174-A178 WeakPolarHBondContact O-CB 3.28Å; A174-A178 PolarHBondContact O-N 3Å; A174-L290 HydrophobicContact CB-CD1 3.99Å; A174-L290 WeakPolarHBondContact O-CD1 3.4Å; A174-F295 HydrophobicContact CB-CD2 4.2Å; A174-F295 HydrophobicContact CB-CE2 4.44Å; A174-E298 HydrophobicContact CB-CB 3.8Å; A174-H299 HydrophobicContact CB-CB 4.13Å
175	Q	98.9	Very high	98.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.6	-43.8	173.3	-68.7	166.2	-64.1	0	0	111.8	S146 L169 L170 S172 F173 V177 A178 C179 F295	S146-Q175 WeakPolarHBondContact O-CG 3.39Å; S146-Q175 PolarHBondContact O-NE2 2.74Å; L169-Q175 PolarHBondContact O-NE2 2.72Å; L169-Q175 VanDerWaalsContact O-NE2 3.09Å; L170-Q175 HydrophobicContact CD1-CB 4.11Å; L170-Q175 HydrophobicContact CD2-CB 4.35Å; L170-Q175 HydrophobicContact CG-CB 3.74Å; S172-Q175 PolarHBondContact O-N 2.92Å; S172-Q175 WeakPolarHBondContact OG-CG 3.48Å; S172-Q175 PolarHBondContact OG-N 3.14Å; S172-Q175 PolarHBondContact OG-OE1 2.89Å; F173-Q175 PolarHBondContact O-N 3.19Å; Q175-V177 PolarHBondContact O-N 3.29Å; Q175-A178 PolarHBondContact O-N 3.3Å; Q175-C179 WeakPolarHBondContact O-CB 3.37Å; Q175-C179 PolarHBondContact O-N 2.97Å; Q175-C179 PolarHBondContact O-SG 3.47Å; Q175-F295 HydrophobicContact CB-CE2 4.39Å; Q175-F295 HydrophobicContact CG-CE2 3.84Å; Q175-F295 HydrophobicContact CG-CZ 4.09Å
176	A	98.9	Very high	98.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.1	-45.1	178.1	0	0	0	0	0	112	L170 S172 F173 A174 C179 A180 I221 Y225	L170-A176 HydrophobicContact CD2-CB 4.06Å; S172-A176 PolarHBondContact O-N 2.76Å; F173-A176 WeakPolarHBondContact O-CB 3.49Å; F173-A176 PolarHBondContact O-N 2.89Å; F173-A176 VanDerWaalsContact O-N 3.13Å; A174-A176 VanDerWaalsContact C-N 3.35Å; A174-A176 PolarHBondContact O-N 3.47Å; A176-C179 PolarHBondContact O-N 2.75Å; A176-A180 PolarHBondContact O-N 3.18Å; A176-A180 VanDerWaalsContact O-N 3.1Å; A176-I221 HydrophobicContact CB-CB 4.33Å; A176-I221 HydrophobicContact CB-CD1 3.87Å; A176-I221 HydrophobicContact CB-CG1 3.64Å; A176-I221 HydrophobicContact CB-CG2 3.84Å; A176-Y225 HydrophobicContact CB-CE1 4.12Å; A176-Y225 WeakPolarHBondContact O-CE1 3.28Å; A176-Y225 PolarHBondContact O-OH 2.86Å
177	V	98.9	Very high	98.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.1	-49.7	177.3	173.6	0	0	0	0	110.9	F173 A174 Q175 C179 A180 E181 Y224 I288 L290	F173-V177 HydrophobicContact CD1-CG2 4.07Å; F173-V177 HydrophobicContact CE1-CG2 3.69Å; F173-V177 HydrophobicContact CE2-CG2 4.37Å; F173-V177 HydrophobicContact CZ-CG2 3.86Å; F173-V177 PolarHBondContact O-N 3.07Å; A174-V177 PolarHBondContact O-N 2.87Å; Q175-V177 PolarHBondContact O-N 3.29Å; V177-C179 VanDerWaalsContact C-N 3.3Å; V177-C179 PolarHBondContact O-N 3.33Å; V177-A180 WeakPolarHBondContact O-CB 3.12Å; V177-A180 PolarHBondContact O-N 3.02Å; V177-E181 HydrophobicContact CG1-CG 4.38Å; V177-E181 WeakPolarHBondContact O-CG 3.16Å; V177-E181 PolarHBondContact O-N 2.91Å; V177-Y224 HydrophobicContact CG2-CD1 4.34Å; V177-Y224 HydrophobicContact CG2-CE1 3.74Å; V177-I288 HydrophobicContact CG1-CG1 3.99Å; V177-I288 HydrophobicContact CG2-CD1 4.03Å; V177-I288 HydrophobicContact CG2-CG1 3.95Å; V177-L290 HydrophobicContact CB-CD1 3.89Å; V177-L290 HydrophobicContact CG1-CD1 3.99Å; V177-L290 HydrophobicContact CG1-CG 4.07Å
178	A	98.9	Very high	98.9	Very high	6 Å²	6	14.6 Å²	14.6	5%	0.05	7%	0.071	C	C	.	.	H	α-helix	trans	-59.3	-40	-179.4	0	0	0	0	0	112.3	I151 A174 Q175 A180 E181 A182 F295	I151-A178 HydrophobicContact CD1-CB 3.89Å; I151-A178 HydrophobicContact CG2-CB 4.27Å; A174-A178 WeakPolarHBondContact O-CB 3.28Å; A174-A178 PolarHBondContact O-N 3Å; Q175-A178 PolarHBondContact O-N 3.3Å; A178-A180 PolarHBondContact O-N 3.28Å; A178-E181 PolarHBondContact O-N 2.91Å; A178-A182 VanDerWaalsContact O-CB 3.28Å; A178-A182 WeakPolarHBondContact O-CB 3.15Å; A178-A182 PolarHBondContact O-N 2.97Å; A178-F295 HydrophobicContact CB-CD2 3.88Å; A178-F295 HydrophobicContact CB-CE2 4.31Å
179	C	98.9	Very high	98.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.5	-43.3	173.6	-70	0	0	0	0	112.5	Q175 A176 V177 E181 A182 K183 V184 I187	Q175-C179 WeakPolarHBondContact O-CB 3.37Å; Q175-C179 PolarHBondContact O-N 2.97Å; Q175-C179 PolarHBondContact O-SG 3.47Å; A176-C179 PolarHBondContact O-N 2.75Å; V177-C179 VanDerWaalsContact C-N 3.3Å; V177-C179 PolarHBondContact O-N 3.33Å; C179-E181 VanDerWaalsContact C-N 3.33Å; C179-E181 PolarHBondContact O-N 2.63Å; C179-A182 PolarHBondContact O-N 3.03Å; C179-K183 PolarHBondContact O-N 2.9Å; C179-K183 VanDerWaalsContact O-N 3.15Å; C179-V184 HydrophobicContact CB-CG2 3.83Å; C179-V184 WeakPolarHBondContact O-CG2 3.27Å; C179-V184 PolarHBondContact O-N 3.09Å; C179-I187 HydrophobicContact CB-CG2 3.48Å; C179-I187 VanDerWaalsContact CB-CG2 3.48Å
180	A	98.9	Very high	98.9	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.008	7%	0.074	C	C	.	.	H	α-helix	trans	-63.3	-41.2	179.7	0	0	0	0	0	111.7	A176 V177 A178 K183 Y225 Y230	A176-A180 PolarHBondContact O-N 3.18Å; A176-A180 VanDerWaalsContact O-N 3.1Å; V177-A180 WeakPolarHBondContact O-CB 3.12Å; V177-A180 PolarHBondContact O-N 3.02Å; A178-A180 PolarHBondContact O-N 3.28Å; A180-K183 PolarHBondContact O-N 3.25Å; A180-K183 VanDerWaalsContact O-N 3.16Å; A180-Y225 HydrophobicContact CB-CD1 4.5Å; A180-Y225 HydrophobicContact CB-CE1 3.79Å; A180-Y225 HydrophobicContact CB-CE2 4.31Å; A180-Y225 PolarHBondContact N-OH 2.91Å; A180-Y230 HydrophobicContact CB-CD1 3.69Å; A180-Y230 HydrophobicContact CB-CD2 3.92Å; A180-Y230 HydrophobicContact CB-CE1 3.85Å; A180-Y230 HydrophobicContact CB-CE2 4.06Å; A180-Y230 HydrophobicContact CB-CG 3.72Å
181	E	98.8	Very high	98.9	Very high	54 Å²	54	15.2 Å²	15.2	25%	0.252	7%	0.074	S	C	.	.	H	α-helix	trans	-71.4	-32.1	177.6	-64	-167	140.1	0	0	112.8	V177 A178 C179 K183 H289 L290	V177-E181 HydrophobicContact CG1-CG 4.38Å; V177-E181 WeakPolarHBondContact O-CG 3.16Å; V177-E181 PolarHBondContact O-N 2.91Å; A178-E181 PolarHBondContact O-N 2.91Å; C179-E181 VanDerWaalsContact C-N 3.33Å; C179-E181 PolarHBondContact O-N 2.63Å; E181-K183 PolarHBondContact O-N 3.04Å; E181-H289 VanDerWaalsContact OE1-CA 3.26Å; E181-H289 WeakPolarHBondContact OE1-CA 3.22Å; E181-H289 IonicContact OE1-CG 2.82Å; E181-H289 IonicContact OE1-ND1 3.75Å; E181-H289 PolarHBondContact OE1-ND1 3.35Å; E181-H289 IonicContact OE2-CE1 3.67Å; E181-H289 PolarHBondContact OE2-CE1 3.45Å; E181-H289 IonicContact OE2-CG 3.26Å; E181-H289 IonicContact OE2-ND1 2.67Å; E181-H289 PolarHBondContact OE2-ND1 3.01Å; E181-L290 PolarHBondContact OE2-N 2.82Å
182	A	98.8	Very high	98.9	Very high	8 Å²	8	15.2 Å²	15.2	7%	0.066	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-10	170	0	0	0	0	0	113.5	I151 K155 A178 C179 V184	I151-A182 HydrophobicContact CG2-CB 3.75Å; K155-A182 HydrophobicContact CB-CB 3.88Å; K155-A182 HydrophobicContact CG-CB 4.24Å; A178-A182 VanDerWaalsContact O-CB 3.28Å; A178-A182 WeakPolarHBondContact O-CB 3.15Å; A178-A182 PolarHBondContact O-N 2.97Å; C179-A182 PolarHBondContact O-N 3.03Å; A182-V184 HydrophobicContact CB-CG1 4.1Å; A182-V184 PolarHBondContact O-N 2.99Å
183	K	98.8	Very high	98.8	Very high	158 Å²	158	17 Å²	17	69%	0.687	8%	0.081	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	35.8	-180	-55	178.1	-177	174	0	113.5	C179 A180 E181	C179-K183 PolarHBondContact O-N 2.9Å; C179-K183 VanDerWaalsContact O-N 3.15Å; A180-K183 PolarHBondContact O-N 3.25Å; A180-K183 VanDerWaalsContact O-N 3.16Å; E181-K183 PolarHBondContact O-N 3.04Å
184	V	98.9	Very high	98.8	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.006	7%	0.073	C	C	.	.			trans	-61.2	148.5	172.3	-59	0	0	0	0	110.5	M167 C179 A182 L186 I187 T232	M167-V184 HydrophobicContact CG-CB 3.86Å; M167-V184 HydrophobicContact CG-CG1 3.77Å; M167-V184 HydrophobicContact CG-CG2 3.61Å; M167-V184 HydrophobicContact SD-CB 4.48Å; M167-V184 HydrophobicContact SD-CG1 3.97Å; C179-V184 HydrophobicContact CB-CG2 3.83Å; C179-V184 WeakPolarHBondContact O-CG2 3.27Å; C179-V184 PolarHBondContact O-N 3.09Å; A182-V184 HydrophobicContact CB-CG1 4.1Å; A182-V184 PolarHBondContact O-N 2.99Å; V184-L186 PolarHBondContact O-N 3.1Å; V184-I187 HydrophobicContact CG2-CG2 3.94Å; V184-T232 HydrophobicContact CG2-CG2 3.76Å; V184-T232 VanDerWaalsContact O-CB 3.27Å; V184-T232 WeakPolarHBondContact O-CB 3.19Å; V184-T232 WeakPolarHBondContact O-CG2 3.18Å; V184-T232 PolarHBondContact O-OG1 3.35Å
185	T	98.9	Very high	98.8	Very high	29 Å²	29	15 Å²	15	18%	0.178	7%	0.071	C	C	.	.	S	Bend	trans	-62.1	-44.3	-178.1	-67	0	0	0	0	111.6	L141 E158 H164 V233	L141-T185 HydrophobicContact CD2-CG2 3.93Å; E158-T185 VanDerWaalsContact CD-OG1 3.22Å; E158-T185 WeakPolarHBondContact OE1-CB 3.26Å; E158-T185 PolarHBondContact OE1-N 3.15Å; E158-T185 PolarHBondContact OE1-OG1 3.26Å; E158-T185 PolarHBondContact OE2-OG1 3.25Å; E158-T185 VanDerWaalsContact OE2-OG1 3.12Å; H164-T185 HydrophobicContact CB-CG2 4.22Å; H164-T185 WeakPolarHBondContact CB-OG1 3.37Å; H164-T185 PolarHBondContact ND1-OG1 3.5Å; H164-T185 VanDerWaalsContact ND1-OG1 3.1Å; T185-V233 PolarHBondContact O-N 3.12Å
186	L	98.9	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	145.9	-172.3	-176.2	150.4	0	0	0	111.8	L141 C165 N166 M167 V184 V233 M235 L253	L141-L186 HydrophobicContact CD1-CD1 4.1Å; C165-L186 PolarHBondContact O-N 2.74Å; N166-L186 WeakPolarHBondContact CA-O 3.36Å; N166-L186 HydrophobicContact CB-CD2 3.93Å; N166-L186 WeakPolarHBondContact OD1-CD2 3.32Å; M167-L186 PolarHBondContact N-O 3.14Å; V184-L186 PolarHBondContact O-N 3.1Å; L186-V233 WeakPolarHBondContact CA-O 3.44Å; L186-V233 HydrophobicContact CB-CB 4.18Å; L186-V233 HydrophobicContact CD1-CB 4.11Å; L186-V233 HydrophobicContact CD1-CG1 3.88Å; L186-V233 HydrophobicContact CG-CB 4.09Å; L186-V233 HydrophobicContact CG-CG1 4.23Å; L186-M235 HydrophobicContact CD1-CB 4.12Å; L186-M235 HydrophobicContact CD1-CE 4.32Å; L186-M235 HydrophobicContact CD1-SD 4.25Å; L186-M235 HydrophobicContact CD2-CB 3.98Å; L186-M235 HydrophobicContact CD2-CE 3.76Å; L186-M235 HydrophobicContact CG-CB 4.22Å; L186-L253 HydrophobicContact CD1-CD2 3.85Å
187	I	98.9	Very high	98.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	145.2	167.2	57.1	157.2	0	0	0	110.9	M167 L170 C179 V184 P189 I221 Y225 T232 V233 V234 M235	M167-I187 HydrophobicContact CB-CG2 3.94Å; M167-I187 HydrophobicContact CG-CG2 4.36Å; L170-I187 HydrophobicContact CD1-CB 3.99Å; L170-I187 HydrophobicContact CD1-CD1 4.23Å; L170-I187 HydrophobicContact CD1-CG2 3.9Å; C179-I187 HydrophobicContact CB-CG2 3.48Å; C179-I187 VanDerWaalsContact CB-CG2 3.48Å; V184-I187 HydrophobicContact CG2-CG2 3.94Å; I187-P189 VanDerWaalsContact C-CD 3.44Å; I187-P189 HydrophobicContact CD1-CG 4.45Å; I187-P189 VanDerWaalsContact O-CD 3.28Å; I187-P189 WeakPolarHBondContact O-CD 3.16Å; I187-I221 HydrophobicContact CD1-CG2 3.57Å; I187-Y225 HydrophobicContact CD1-CE1 4.38Å; I187-Y225 HydrophobicContact CD1-CE2 3.65Å; I187-Y225 WeakPolarHBondContact CD1-OH 3.17Å; I187-Y225 HydrophobicContact CG1-CE2 3.97Å; I187-T232 HydrophobicContact CB-CG2 4.43Å; I187-T232 HydrophobicContact CG1-CG2 4.16Å; I187-T232 HydrophobicContact CG2-CG2 3.84Å; I187-V233 PolarHBondContact N-O 3.4Å; I187-V234 HydrophobicContact CD1-CG2 4.36Å; I187-V234 HydrophobicContact CG1-CG2 4.44Å; I187-M235 PolarHBondContact O-N 3.22Å
188	S	98.9	Very high	98.8	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.014	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	76.6	174.1	-63.4	0	0	0	0	110.9	N166 M167 F190 M235	N166-S188 PolarHBondContact ND2-OG 2.9Å; N166-S188 WeakPolarHBondContact OD1-CB 3.45Å; N166-S188 PolarHBondContact OD1-OG 3.29Å; M167-S188 PolarHBondContact O-N 2.64Å; S188-F190 VanDerWaalsContact O-CD1 3.23Å; S188-F190 WeakPolarHBondContact O-CD1 3.46Å; S188-M235 WeakPolarHBondContact CA-O 3.3Å; S188-M235 VanDerWaalsContact OG-CE 3.27Å; S188-M235 WeakPolarHBondContact OG-CE 2.97Å
189	P	98.9	Very high	98.7	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	131.3	173.2	29.5	-36.7	0	0	0	111.4	L170 I187 V218 I221 V234 M235 A237	L170-P189 HydrophobicContact CD2-CB 3.92Å; L170-P189 WeakPolarHBondContact O-CA 3.43Å; I187-P189 VanDerWaalsContact C-CD 3.44Å; I187-P189 HydrophobicContact CD1-CG 4.45Å; I187-P189 VanDerWaalsContact O-CD 3.28Å; I187-P189 WeakPolarHBondContact O-CD 3.16Å; P189-V218 HydrophobicContact CB-CG2 3.89Å; P189-V218 HydrophobicContact CG-CG1 4.23Å; P189-V218 HydrophobicContact CG-CG2 3.86Å; P189-I221 HydrophobicContact CB-CD1 3.94Å; P189-V234 HydrophobicContact CG-CG1 4.06Å; P189-M235 WeakPolarHBondContact CD-O 3.49Å; P189-A237 PolarHBondContact O-N 2.64Å
190	F	98.8	Very high	98.7	Very high	11 Å²	11	30.1 Å²	30.1	5%	0.048	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-87.5	135.7	-175.2	-81.2	27.5	0	0	0	110.8	T168 L169 L170 F171 S188 R193 I194 A237	T168-F190 WeakPolarHBondContact OG1-CE1 3.36Å; L169-F190 HydrophobicContact CD2-CD2 4.5Å; L169-F190 HydrophobicContact CD2-CE2 3.8Å; L169-F190 HydrophobicContact CD2-CZ 4.06Å; L170-F190 PolarHBondContact O-N 2.97Å; F171-F190 HydrophobicContact CD1-CB 4.07Å; F171-F190 HydrophobicContact CE1-CB 3.58Å; F171-F190 AromaticContact CE1-CD2 3.91Å; F171-F190 HydrophobicContact CE1-CD2 3.91Å; F171-F190 HydrophobicContact CE1-CG 4.02Å; F171-F190 HydrophobicContact CZ-CB 4.31Å; F171-F190 AromaticContact CZ-CD2 3.9Å; F171-F190 HydrophobicContact CZ-CD2 3.9Å; F171-F190 HydrophobicContact CZ-CG 4.27Å; S188-F190 VanDerWaalsContact O-CD1 3.23Å; S188-F190 WeakPolarHBondContact O-CD1 3.46Å; F190-R193 HydrophobicContact CD2-CB 4.31Å; F190-R193 HydrophobicContact CD2-CG 4.04Å; F190-I194 WeakPolarHBondContact O-CD1 3.48Å; F190-I194 VanDerWaalsContact O-CG1 3.31Å; F190-I194 WeakPolarHBondContact O-CG1 3.45Å; F190-A237 WeakPolarHBondContact CA-O 3.27Å; F190-A237 HydrophobicContact CD1-CB 3.94Å; F190-A237 HydrophobicContact CE1-CB 4.1Å
191	V	98.9	Very high	98.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-97.3	-66.6	179.5	177.9	0	0	0	0	110.3	R193 I194 L195 V215 V218 A237 F239 E244 L248	V191-R193 VanDerWaalsContact C-N 3.32Å; V191-R193 PolarHBondContact O-N 2.67Å; V191-I194 WeakPolarHBondContact O-CA 3.29Å; V191-I194 VanDerWaalsContact O-CB 3.29Å; V191-I194 WeakPolarHBondContact O-CB 3.43Å; V191-I194 PolarHBondContact O-N 3.1Å; V191-L195 PolarHBondContact O-N 3.3Å; V191-V215 HydrophobicContact CG1-CG2 3.99Å; V191-V218 HydrophobicContact CG2-CG2 3.56Å; V191-A237 PolarHBondContact N-O 3.23Å; V191-F239 HydrophobicContact CB-CD1 4.18Å; V191-F239 HydrophobicContact CB-CE1 4.08Å; V191-F239 HydrophobicContact CG1-CD1 4.29Å; V191-F239 HydrophobicContact CG1-CE1 4.28Å; V191-F239 HydrophobicContact CG2-CD1 4.38Å; V191-F239 HydrophobicContact CG2-CE1 3.79Å; V191-F239 HydrophobicContact CG2-CZ 4.26Å; V191-E244 HydrophobicContact CG1-CB 3.99Å; V191-E244 HydrophobicContact CG1-CG 3.88Å; V191-L248 HydrophobicContact CG2-CD1 3.65Å
192	G	98.5	Very high	98.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.8	-27.7	-169.8	0	0	0	0	0	115.1	I194 L195 D196 S238	G192-I194 VanDerWaalsContact C-N 3.28Å; G192-I194 PolarHBondContact O-N 2.82Å; G192-L195 WeakPolarHBondContact O-CB 3.48Å; G192-L195 PolarHBondContact O-N 3.44Å; G192-D196 PolarHBondContact O-N 3.2Å; G192-S238 WeakPolarHBondContact CA-O 3.45Å; G192-S238 PolarHBondContact N-O 2.95Å
193	R	98.5	Very high	98.5	Very high	40 Å²	40	40.5 Å²	40.5	15%	0.151	20%	0.197	C	C	.	.	H	α-helix	trans	-70.4	-26.5	173.1	-72.4	-162.5	-164.3	-175.7	0.6	112.5	F171 F190 V191 W197 K308	F171-R193 HydrophobicContact CE1-CB 3.9Å; F190-R193 HydrophobicContact CD2-CB 4.31Å; F190-R193 HydrophobicContact CD2-CG 4.04Å; V191-R193 VanDerWaalsContact C-N 3.32Å; V191-R193 PolarHBondContact O-N 2.67Å; R193-W197 PolarHBondContact O-N 3.26Å; R193-K308 VanDerWaalsContact O-CE 3.24Å; R193-K308 WeakPolarHBondContact O-CE 3.45Å
194	I	98.8	Very high	98.3	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-70.1	-47.3	171.4	-57.6	-175.6	0	0	0	108.5	F171 F190 V191 G192 D196 W197 H198 P213 M304	F171-I194 HydrophobicContact CD1-CD1 4.44Å; F171-I194 HydrophobicContact CD1-CG1 3.98Å; F190-I194 WeakPolarHBondContact O-CD1 3.48Å; F190-I194 VanDerWaalsContact O-CG1 3.31Å; F190-I194 WeakPolarHBondContact O-CG1 3.45Å; V191-I194 WeakPolarHBondContact O-CA 3.29Å; V191-I194 VanDerWaalsContact O-CB 3.29Å; V191-I194 WeakPolarHBondContact O-CB 3.43Å; V191-I194 PolarHBondContact O-N 3.1Å; G192-I194 VanDerWaalsContact C-N 3.28Å; G192-I194 PolarHBondContact O-N 2.82Å; I194-D196 VanDerWaalsContact C-N 3.32Å; I194-D196 PolarHBondContact O-N 3.11Å; I194-W197 WeakPolarHBondContact O-CB 3.28Å; I194-W197 PolarHBondContact O-N 3.32Å; I194-W197 VanDerWaalsContact O-N 3.14Å; I194-H198 PolarHBondContact O-CD2 2.96Å; I194-H198 VanDerWaalsContact O-CD2 3.32Å; I194-H198 PolarHBondContact O-N 2.96Å; I194-H198 VanDerWaalsContact O-N 3.1Å; I194-P213 HydrophobicContact CG2-CB 3.84Å; I194-P213 HydrophobicContact CG2-CG 4.06Å; I194-M304 HydrophobicContact CB-CE 4.38Å; I194-M304 HydrophobicContact CB-SD 4.22Å; I194-M304 HydrophobicContact CD1-CE 3.87Å; I194-M304 HydrophobicContact CD1-SD 4.41Å; I194-M304 HydrophobicContact CG1-CE 3.85Å; I194-M304 HydrophobicContact CG1-SD 3.75Å; I194-M304 HydrophobicContact CG2-CE 3.81Å; I194-M304 HydrophobicContact CG2-SD 4.08Å
195	L	98.7	Very high	98.2	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-53.2	-48.3	173.5	178.2	63.1	0	0	0	112	V191 G192 W197 H198 K199 F207 D212 R240 E244	V191-L195 PolarHBondContact O-N 3.3Å; G192-L195 WeakPolarHBondContact O-CB 3.48Å; G192-L195 PolarHBondContact O-N 3.44Å; L195-W197 VanDerWaalsContact C-N 3.32Å; L195-W197 PolarHBondContact O-N 3.17Å; L195-H198 PolarHBondContact O-N 3.1Å; L195-K199 HydrophobicContact CD1-CD 4.24Å; L195-K199 HydrophobicContact CD1-CG 4.19Å; L195-K199 HydrophobicContact CG-CD 4.13Å; L195-K199 HydrophobicContact CG-CG 4.45Å; L195-K199 WeakPolarHBondContact O-CG 3.16Å; L195-K199 PolarHBondContact O-N 2.94Å; L195-F207 HydrophobicContact CD1-CB 4.24Å; L195-F207 HydrophobicContact CD1-CD2 3.33Å; L195-F207 HydrophobicContact CD1-CE2 3.85Å; L195-F207 HydrophobicContact CD1-CG 3.91Å; L195-D212 WeakPolarHBondContact CD1-OD2 3.41Å; L195-D212 WeakPolarHBondContact CD2-OD2 3.3Å; L195-R240 HydrophobicContact CD2-CB 4.45Å; L195-R240 HydrophobicContact CD2-CG 4.41Å; L195-E244 WeakPolarHBondContact CD2-OE1 3.33Å
196	D	98.5	Very high	98	Very high	41 Å²	41	45.9 Å²	45.9	22%	0.219	23%	0.226	C	C	.	.	H	α-helix	trans	-56	-47.2	178.3	-64.4	-19.8	0	0	0	111.2	G192 I194 H198 K199 E200 R240	G192-D196 PolarHBondContact O-N 3.2Å; I194-D196 VanDerWaalsContact C-N 3.32Å; I194-D196 PolarHBondContact O-N 3.11Å; D196-H198 PolarHBondContact O-N 2.57Å; D196-K199 PolarHBondContact O-N 2.99Å; D196-E200 WeakPolarHBondContact O-CB 3.28Å; D196-E200 VanDerWaalsContact O-CG 3.27Å; D196-E200 WeakPolarHBondContact O-CG 3.39Å; D196-E200 PolarHBondContact O-N 3.06Å; D196-R240 IonicContact OD1-CZ 2.72Å; D196-R240 IonicContact OD1-NE 2.74Å; D196-R240 PolarHBondContact OD1-NE 3.22Å; D196-R240 IonicContact OD2-CZ 2.64Å; D196-R240 VanDerWaalsContact OD2-CZ 3.27Å; D196-R240 IonicContact OD2-NE 3.19Å; D196-R240 PolarHBondContact OD2-NE 3.19Å; D196-R240 VanDerWaalsContact OD2-NE 3.08Å; D196-R240 IonicContact OD2-NH2 2.9Å; D196-R240 PolarHBondContact OD2-NH2 3.46Å
197	W	98.7	Very high	97.9	Very high	25 Å²	25	47.5 Å²	47.5	10%	0.095	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-46.9	179.4	-165	87	0	0	0	111.9	R193 I194 L195 E200 N201 R303 M304 E307 K308	R193-W197 PolarHBondContact O-N 3.26Å; I194-W197 WeakPolarHBondContact O-CB 3.28Å; I194-W197 PolarHBondContact O-N 3.32Å; I194-W197 VanDerWaalsContact O-N 3.14Å; L195-W197 VanDerWaalsContact C-N 3.32Å; L195-W197 PolarHBondContact O-N 3.17Å; W197-E200 PolarHBondContact O-N 3.12Å; W197-N201 HydrophobicContact CD2-CB 4.15Å; W197-N201 HydrophobicContact CE3-CB 4.06Å; W197-N201 HydrophobicContact CH2-CB 3.87Å; W197-N201 HydrophobicContact CZ2-CB 3.94Å; W197-N201 HydrophobicContact CZ3-CB 3.92Å; W197-N201 PolarHBondContact NE1-ND2 2.98Å; W197-N201 WeakPolarHBondContact O-CB 3.38Å; W197-N201 PolarHBondContact O-N 3.28Å; W197-N201 PolarHBondContact O-ND2 2.97Å; W197-R303 HydrophobicContact CZ2-CG 4.07Å; W197-M304 HydrophobicContact CB-CG 3.65Å; W197-M304 HydrophobicContact CD2-CB 3.61Å; W197-M304 HydrophobicContact CD2-CG 3.53Å; W197-M304 HydrophobicContact CE3-CB 3.71Å; W197-M304 HydrophobicContact CE3-CG 3.77Å; W197-M304 HydrophobicContact CG-CB 4.05Å; W197-M304 HydrophobicContact CG-CG 3.48Å; W197-M304 VanDerWaalsContact CG-CG 3.48Å; W197-M304 HydrophobicContact CH2-CB 4.37Å; W197-M304 HydrophobicContact CZ2-CB 4.28Å; W197-M304 HydrophobicContact CZ3-CB 4.1Å; W197-E307 PolarHBondContact NE1-OE2 2.86Å; W197-K308 HydrophobicContact CB-CD 4.4Å; W197-K308 HydrophobicContact CB-CG 4.24Å; W197-K308 HydrophobicContact CG-CG 4.35Å
198	H	98.6	Very high	97.9	Very high	51 Å²	51	52.6 Å²	52.6	24%	0.236	26%	0.257	C	S	.	.	H	α-helix	trans	-67.1	-38.9	-178.5	-82.5	-97.2	0	0	0	111.9	I194 L195 D196 E200 N201 T202 F207 P213	I194-H198 PolarHBondContact O-CD2 2.96Å; I194-H198 VanDerWaalsContact O-CD2 3.32Å; I194-H198 PolarHBondContact O-N 2.96Å; I194-H198 VanDerWaalsContact O-N 3.1Å; L195-H198 PolarHBondContact O-N 3.1Å; D196-H198 PolarHBondContact O-N 2.57Å; H198-E200 VanDerWaalsContact C-N 3.28Å; H198-E200 PolarHBondContact O-N 3.47Å; H198-N201 PolarHBondContact O-N 3.42Å; H198-T202 WeakPolarHBondContact O-CB 3.39Å; H198-T202 PolarHBondContact O-N 3.33Å; H198-T202 PolarHBondContact O-OG1 3.07Å; H198-F207 HydrophobicContact CB-CE2 4.48Å; H198-F207 HydrophobicContact CB-CZ 3.96Å; H198-P213 HydrophobicContact CB-CG 3.86Å; H198-P213 VanDerWaalsContact CD2-CG 3.5Å; H198-P213 WeakPolarHBondContact CD2-CG 3.32Å
199	K	98.2	Very high	97.7	Very high	79 Å²	79	54.8 Å²	54.8	34%	0.343	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-34.6	172.7	-73.4	-178.3	177.4	176.7	0	112.2	L195 D196 K205 F207	L195-K199 HydrophobicContact CD1-CD 4.24Å; L195-K199 HydrophobicContact CD1-CG 4.19Å; L195-K199 HydrophobicContact CG-CD 4.13Å; L195-K199 HydrophobicContact CG-CG 4.45Å; L195-K199 WeakPolarHBondContact O-CG 3.16Å; L195-K199 PolarHBondContact O-N 2.94Å; D196-K199 PolarHBondContact O-N 2.99Å; K199-K205 WeakPolarHBondContact CE-O 3.41Å; K199-K205 WeakPolarHBondContact O-CD 3.5Å; K199-K205 WeakPolarHBondContact O-CE 3.4Å; K199-K205 PolarHBondContact O-NZ 2.95Å; K199-F207 HydrophobicContact CG-CD2 4.43Å; K199-F207 HydrophobicContact CG-CE2 3.94Å
200	E	98.1	Very high	97.5	Very high	126 Å²	126	60.9 Å²	60.9	59%	0.589	30%	0.299	S	S	*	.	H	α-helix	trans	-75.3	-40.3	178.3	-72.5	165	170.1	0	0	111.8	D196 W197 H198 K308	D196-E200 WeakPolarHBondContact O-CB 3.28Å; D196-E200 VanDerWaalsContact O-CG 3.27Å; D196-E200 WeakPolarHBondContact O-CG 3.39Å; D196-E200 PolarHBondContact O-N 3.06Å; W197-E200 PolarHBondContact O-N 3.12Å; H198-E200 VanDerWaalsContact C-N 3.28Å; H198-E200 PolarHBondContact O-N 3.47Å; E200-K308 IonicContact OE2-NZ 2.82Å; E200-K308 PolarHBondContact OE2-NZ 3.43Å; E200-K308 VanDerWaalsContact OE2-NZ 3.1Å
201	N	98.1	Very high	97.5	Very high	69 Å²	69	63.5 Å²	63.5	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-107.8	-2	-165.1	-68	-86.3	0	0	0	115.5	W197 H198	W197-N201 HydrophobicContact CD2-CB 4.15Å; W197-N201 HydrophobicContact CE3-CB 4.06Å; W197-N201 HydrophobicContact CH2-CB 3.87Å; W197-N201 HydrophobicContact CZ2-CB 3.94Å; W197-N201 HydrophobicContact CZ3-CB 3.92Å; W197-N201 PolarHBondContact NE1-ND2 2.98Å; W197-N201 WeakPolarHBondContact O-CB 3.38Å; W197-N201 PolarHBondContact O-N 3.28Å; W197-N201 PolarHBondContact O-ND2 2.97Å; H198-N201 PolarHBondContact O-N 3.42Å
202	T	96.3	Very high	97.5	Very high	45 Å²	45	63.7 Å²	63.7	28%	0.276	31%	0.313	S	S	.	.	S	Bend	trans	-128.5	163.8	177.9	77.5	0	0	0	0	111.4	H198 R204 K205	H198-T202 WeakPolarHBondContact O-CB 3.39Å; H198-T202 PolarHBondContact O-N 3.33Å; H198-T202 PolarHBondContact O-OG1 3.07Å; T202-R204 PolarHBondContact O-N 2.79Å; T202-R204 PolarHBondContact OG1-N 3.01Å; T202-R204 PolarHBondContact OG1-O 3.05Å; T202-K205 WeakPolarHBondContact O-CE 3.28Å; T202-K205 PolarHBondContact O-NZ 3.34Å
203	D	96.9	Very high	97.5	Very high	167 Å²	167	64.5 Å²	64.5	89%	0.893	32%	0.318	S	S	*	.	S	Bend	trans	-68.8	-24	177.5	-63.4	-36.5	0	0	0	112.9	K205	D203-K205 PolarHBondContact O-N 3.49Å
204	R	96.1	Very high	97.5	Very high	98 Å²	98	62.6 Å²	62.6	37%	0.37	31%	0.311	S	S	.	.			trans	-78.1	113.2	-179.9	-174	173.2	176.5	167	10.6	110.2	T202 S206 F207 E211	T202-R204 PolarHBondContact O-N 2.79Å; T202-R204 PolarHBondContact OG1-N 3.01Å; T202-R204 PolarHBondContact OG1-O 3.05Å; R204-S206 VanDerWaalsContact CG-O 3.32Å; R204-S206 WeakPolarHBondContact CG-O 3.33Å; R204-S206 PolarHBondContact NE-O 3Å; R204-F207 HydrophobicContact CB-CE1 4.37Å; R204-F207 HydrophobicContact CB-CZ 3.95Å; R204-F207 VanDerWaalsContact CD-CE1 3.43Å; R204-F207 HydrophobicContact CG-CD1 4.31Å; R204-F207 HydrophobicContact CG-CE1 3.81Å; R204-F207 HydrophobicContact CG-CE2 4.09Å; R204-F207 HydrophobicContact CG-CZ 3.67Å; R204-F207 VanDerWaalsContact O-CE2 3.32Å; R204-F207 WeakPolarHBondContact O-CE2 3.47Å; R204-F207 WeakPolarHBondContact O-CZ 3.35Å; R204-E211 IonicContact CZ-OE1 3.48Å; R204-E211 IonicContact CZ-OE2 3.68Å; R204-E211 IonicContact NH1-OE1 2.86Å; R204-E211 PolarHBondContact NH1-OE1 3.16Å; R204-E211 IonicContact NH1-OE2 3.81Å; R204-E211 IonicContact NH2-OE1 3.2Å; R204-E211 PolarHBondContact NH2-OE1 3.15Å; R204-E211 IonicContact NH2-OE2 2.67Å; R204-E211 PolarHBondContact NH2-OE2 3.3Å
205	K	95.7	Very high	97.5	Very high	117 Å²	117	62.7 Å²	62.7	51%	0.509	31%	0.312	S	S	.	.			trans	-103.6	-9.3	-178.1	-51.7	-53.1	-174.6	-173.8	0	114.7	K199 T202 D203	K199-K205 WeakPolarHBondContact CE-O 3.41Å; K199-K205 WeakPolarHBondContact O-CD 3.5Å; K199-K205 WeakPolarHBondContact O-CE 3.4Å; K199-K205 PolarHBondContact O-NZ 2.95Å; T202-K205 WeakPolarHBondContact O-CE 3.28Å; T202-K205 PolarHBondContact O-NZ 3.34Å; D203-K205 PolarHBondContact O-N 3.49Å
206	S	95.1	Very high	97.5	Very high	87 Å²	87	67 Å²	67	61%	0.608	33%	0.334	S	S	*	.			trans	-132.7	143.1	177.7	-167.7	0	0	0	0	110.7	R204	R204-S206 VanDerWaalsContact CG-O 3.32Å; R204-S206 WeakPolarHBondContact CG-O 3.33Å; R204-S206 PolarHBondContact NE-O 3Å
207	F	97.4	Very high	97.5	Very high	33 Å²	33	66.1 Å²	66.1	15%	0.145	33%	0.331	C	S	.	.			trans	-136.9	129.2	-175.3	-61.5	-98.5	0	0	0	107.8	L195 H198 K199 R204 E211 D212 P213	L195-F207 HydrophobicContact CD1-CB 4.24Å; L195-F207 HydrophobicContact CD1-CD2 3.33Å; L195-F207 HydrophobicContact CD1-CE2 3.85Å; L195-F207 HydrophobicContact CD1-CG 3.91Å; H198-F207 HydrophobicContact CB-CE2 4.48Å; H198-F207 HydrophobicContact CB-CZ 3.96Å; K199-F207 HydrophobicContact CG-CD2 4.43Å; K199-F207 HydrophobicContact CG-CE2 3.94Å; R204-F207 HydrophobicContact CB-CE1 4.37Å; R204-F207 HydrophobicContact CB-CZ 3.95Å; R204-F207 VanDerWaalsContact CD-CE1 3.43Å; R204-F207 HydrophobicContact CG-CD1 4.31Å; R204-F207 HydrophobicContact CG-CE1 3.81Å; R204-F207 HydrophobicContact CG-CE2 4.09Å; R204-F207 HydrophobicContact CG-CZ 3.67Å; R204-F207 VanDerWaalsContact O-CE2 3.32Å; R204-F207 WeakPolarHBondContact O-CE2 3.47Å; R204-F207 WeakPolarHBondContact O-CZ 3.35Å; F207-E211 WeakPolarHBondContact CD1-O 3.42Å; F207-D212 HydrophobicContact CB-CB 4.48Å; F207-P213 HydrophobicContact CE1-CG 4.46Å
208	E	97.4	Very high	97.5	Very high	108 Å²	108	65 Å²	65	51%	0.505	33%	0.326	S	S	.	.			trans	-66.1	154.6	165.7	-68.1	-59	133.1	0	0	109.2	H210 E211 D212	E208-H210 PolarHBondContact O-N 3.08Å; E208-E211 HydrophobicContact CB-CG 4.3Å; E208-E211 WeakPolarHBondContact CB-OE2 3.34Å; E208-E211 CarbonylContact O-C 3.56Å; E208-E211 WeakPolarHBondContact O-CA 3.49Å; E208-E211 PolarHBondContact O-N 2.68Å; E208-D212 PolarHBondContact O-N 2.93Å
209	P	96.3	Very high	97.5	Very high	47 Å²	47	64.3 Å²	64.3	31%	0.305	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-33.2	-172.4	-30	35.7	0	0	0	115.4	A247	P209-A247 HydrophobicContact CB-CB 3.95Å
210	H	94.5	Very high	97.6	Very high	129 Å²	129	65.2 Å²	65.2	60%	0.597	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-13.7	179.1	65.2	-80.4	0	0	0	113.7	E208	E208-H210 PolarHBondContact O-N 3.08Å
211	E	97.7	Very high	97.6	Very high	66 Å²	66	59.3 Å²	59.3	31%	0.308	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-5.6	175.8	-57.7	-176.8	89.9	0	0	112.1	R204 F207 E208	R204-E211 IonicContact CZ-OE1 3.48Å; R204-E211 IonicContact CZ-OE2 3.68Å; R204-E211 IonicContact NH1-OE1 2.86Å; R204-E211 PolarHBondContact NH1-OE1 3.16Å; R204-E211 IonicContact NH1-OE2 3.81Å; R204-E211 IonicContact NH2-OE1 3.2Å; R204-E211 PolarHBondContact NH2-OE1 3.15Å; R204-E211 IonicContact NH2-OE2 2.67Å; R204-E211 PolarHBondContact NH2-OE2 3.3Å; F207-E211 WeakPolarHBondContact CD1-O 3.42Å; E208-E211 HydrophobicContact CB-CG 4.3Å; E208-E211 WeakPolarHBondContact CB-OE2 3.34Å; E208-E211 CarbonylContact O-C 3.56Å; E208-E211 WeakPolarHBondContact O-CA 3.49Å; E208-E211 PolarHBondContact O-N 2.68Å
212	D	98.6	Very high	97.6	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	29%	0.286	C	S	.	.			trans	-59.1	124	176.4	-178.5	-69.1	0	0	0	110.1	L195 F207 E208 G214 V215 I216	L195-D212 WeakPolarHBondContact CD1-OD2 3.41Å; L195-D212 WeakPolarHBondContact CD2-OD2 3.3Å; F207-D212 HydrophobicContact CB-CB 4.48Å; E208-D212 PolarHBondContact O-N 2.93Å; D212-G214 PolarHBondContact O-N 3.47Å; D212-G214 VanDerWaalsContact OD1-CA 3.26Å; D212-G214 WeakPolarHBondContact OD1-CA 3.41Å; D212-G214 PolarHBondContact OD1-N 3.41Å; D212-V215 HydrophobicContact CB-CB 3.95Å; D212-V215 HydrophobicContact CB-CG2 3.76Å; D212-V215 PolarHBondContact O-N 3.5Å; D212-V215 VanDerWaalsContact O-N 3.12Å; D212-V215 PolarHBondContact OD1-N 3.05Å; D212-I216 WeakPolarHBondContact O-CG1 3.36Å; D212-I216 PolarHBondContact O-N 3.46Å
213	P	98.6	Very high	97.8	Very high	18 Å²	18	55.3 Å²	55.3	12%	0.117	28%	0.279	C	S	.	.	H	α-helix	trans	-65.3	-28.1	-174.4	26.4	-34.9	0	0	0	112.8	I194 H198 F207 S217	I194-P213 HydrophobicContact CG2-CB 3.84Å; I194-P213 HydrophobicContact CG2-CG 4.06Å; H198-P213 HydrophobicContact CB-CG 3.86Å; H198-P213 VanDerWaalsContact CD2-CG 3.5Å; H198-P213 WeakPolarHBondContact CD2-CG 3.32Å; F207-P213 HydrophobicContact CE1-CG 4.46Å; P213-S217 WeakPolarHBondContact O-CB 3.25Å; P213-S217 PolarHBondContact O-N 3.26Å
214	G	98.8	Very high	97.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-71.2	-42.3	173	0	0	0	0	0	112.3	D212 I216 S217 V218	D212-G214 PolarHBondContact O-N 3.47Å; D212-G214 VanDerWaalsContact OD1-CA 3.26Å; D212-G214 WeakPolarHBondContact OD1-CA 3.41Å; D212-G214 PolarHBondContact OD1-N 3.41Å; G214-I216 VanDerWaalsContact C-N 3.34Å; G214-S217 PolarHBondContact O-N 3.02Å; G214-V218 WeakPolarHBondContact O-CG2 3.4Å; G214-V218 PolarHBondContact O-N 3.07Å
215	V	98.8	Very high	98	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.024	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-43.7	174.1	172.6	0	0	0	0	110.6	V191 D212 S217 V218 T219 E244 A247 L248	V191-V215 HydrophobicContact CG1-CG2 3.99Å; D212-V215 HydrophobicContact CB-CB 3.95Å; D212-V215 HydrophobicContact CB-CG2 3.76Å; D212-V215 PolarHBondContact O-N 3.5Å; D212-V215 VanDerWaalsContact O-N 3.12Å; D212-V215 PolarHBondContact OD1-N 3.05Å; V215-S217 VanDerWaalsContact C-N 3.34Å; V215-S217 PolarHBondContact O-N 3.1Å; V215-V218 PolarHBondContact O-N 3.26Å; V215-T219 VanDerWaalsContact O-CB 3.25Å; V215-T219 WeakPolarHBondContact O-CB 3.35Å; V215-T219 PolarHBondContact O-N 3.24Å; V215-T219 PolarHBondContact O-OG1 3.12Å; V215-E244 HydrophobicContact CG2-CB 4.06Å; V215-E244 HydrophobicContact CG2-CG 4.15Å; V215-A247 HydrophobicContact CG1-CB 3.69Å; V215-A247 HydrophobicContact CG2-CB 4.1Å; V215-L248 HydrophobicContact CB-CD2 4.47Å; V215-L248 HydrophobicContact CG1-CD2 3.85Å; V215-L248 HydrophobicContact CG1-CG 4.17Å; V215-L248 HydrophobicContact CG2-CG 4.37Å
216	I	98.8	Very high	98.1	Very high	93 Å²	93	38.9 Å²	38.9	48%	0.477	20%	0.202	S	C	.	.	H	α-helix	trans	-59.9	-45.4	175.5	-68.2	166.7	0	0	0	110.5	D212 G214 T219 K220	D212-I216 WeakPolarHBondContact O-CG1 3.36Å; D212-I216 PolarHBondContact O-N 3.46Å; G214-I216 VanDerWaalsContact C-N 3.34Å; I216-T219 PolarHBondContact O-N 2.95Å; I216-K220 PolarHBondContact O-N 3.49Å
217	S	98.9	Very high	98.3	Very high	23 Å²	23	37.5 Å²	37.5	16%	0.161	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-53.1	178	-178.1	0	0	0	0	111.9	F171 P213 G214 V215 T219 K220 I221	F171-S217 PolarHBondContact O-OG 3.28Å; P213-S217 WeakPolarHBondContact O-CB 3.25Å; P213-S217 PolarHBondContact O-N 3.26Å; G214-S217 PolarHBondContact O-N 3.02Å; V215-S217 VanDerWaalsContact C-N 3.34Å; V215-S217 PolarHBondContact O-N 3.1Å; S217-T219 VanDerWaalsContact C-N 3.31Å; S217-T219 PolarHBondContact O-N 2.55Å; S217-K220 PolarHBondContact O-N 3.33Å; S217-I221 WeakPolarHBondContact O-CG1 3.23Å; S217-I221 PolarHBondContact O-N 3.35Å
218	V	98.9	Very high	98.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-39.2	178.9	178.8	0	0	0	0	111.7	P189 V191 G214 V215 K220 I221 Y222 V234 L248	P189-V218 HydrophobicContact CB-CG2 3.89Å; P189-V218 HydrophobicContact CG-CG1 4.23Å; P189-V218 HydrophobicContact CG-CG2 3.86Å; V191-V218 HydrophobicContact CG2-CG2 3.56Å; G214-V218 WeakPolarHBondContact O-CG2 3.4Å; G214-V218 PolarHBondContact O-N 3.07Å; V215-V218 PolarHBondContact O-N 3.26Å; V218-K220 PolarHBondContact O-N 3.03Å; V218-I221 PolarHBondContact O-N 2.87Å; V218-Y222 WeakPolarHBondContact O-CB 3.43Å; V218-Y222 PolarHBondContact O-N 2.95Å; V218-V234 HydrophobicContact CG1-CG1 4.3Å; V218-L248 HydrophobicContact CB-CD1 3.9Å; V218-L248 HydrophobicContact CB-CD2 3.93Å; V218-L248 HydrophobicContact CG1-CD1 3.88Å; V218-L248 HydrophobicContact CG1-CD2 3.93Å; V218-L248 HydrophobicContact CG2-CD1 4.18Å
219	T	98.9	Very high	98.4	Very high	37 Å²	37	36.4 Å²	36.4	23%	0.227	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-45.3	176.5	-62.4	0	0	0	0	111.4	V215 I216 S217 I221 N223 L275	V215-T219 VanDerWaalsContact O-CB 3.25Å; V215-T219 WeakPolarHBondContact O-CB 3.35Å; V215-T219 PolarHBondContact O-N 3.24Å; V215-T219 PolarHBondContact O-OG1 3.12Å; I216-T219 PolarHBondContact O-N 2.95Å; S217-T219 VanDerWaalsContact C-N 3.31Å; S217-T219 PolarHBondContact O-N 2.55Å; T219-I221 PolarHBondContact O-N 3.38Å; T219-N223 WeakPolarHBondContact O-CB 3.37Å; T219-N223 VanDerWaalsContact O-CG 3.24Å; T219-N223 PolarHBondContact O-N 3Å; T219-N223 PolarHBondContact O-ND2 2.94Å; T219-N223 VanDerWaalsContact O-ND2 3.17Å; T219-L275 HydrophobicContact CG2-CD2 3.75Å
220	K	98.8	Very high	98.5	Very high	99 Å²	99	35.9 Å²	35.9	43%	0.43	19%	0.19	S	C	.	.	H	α-helix	trans	-60.2	-45.9	175.9	-178.5	179.5	177.2	-180	0	111.3	F173 I216 S217 V218 N223 Y224	F173-K220 HydrophobicContact CD2-CD 4.09Å; F173-K220 HydrophobicContact CD2-CG 4.1Å; F173-K220 HydrophobicContact CE2-CD 4.43Å; F173-K220 HydrophobicContact CE2-CG 4.08Å; F173-K220 HydrophobicContact CG-CD 4.42Å; I216-K220 PolarHBondContact O-N 3.49Å; S217-K220 PolarHBondContact O-N 3.33Å; V218-K220 PolarHBondContact O-N 3.03Å; K220-N223 PolarHBondContact O-N 3.32Å; K220-Y224 WeakPolarHBondContact O-CB 3.4Å; K220-Y224 PolarHBondContact O-N 3.3Å
221	I	98.9	Very high	98.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-51.3	179.6	-67.9	166.9	0	0	0	111	L170 F173 A176 I187 P189 S217 V218 T219 N223 Y224 Y225 V234	L170-I221 HydrophobicContact CD2-CD1 3.74Å; F173-I221 HydrophobicContact CD2-CG1 4.21Å; A176-I221 HydrophobicContact CB-CB 4.33Å; A176-I221 HydrophobicContact CB-CD1 3.87Å; A176-I221 HydrophobicContact CB-CG1 3.64Å; A176-I221 HydrophobicContact CB-CG2 3.84Å; I187-I221 HydrophobicContact CD1-CG2 3.57Å; P189-I221 HydrophobicContact CB-CD1 3.94Å; S217-I221 WeakPolarHBondContact O-CG1 3.23Å; S217-I221 PolarHBondContact O-N 3.35Å; V218-I221 PolarHBondContact O-N 2.87Å; T219-I221 PolarHBondContact O-N 3.38Å; I221-N223 VanDerWaalsContact C-N 3.33Å; I221-N223 PolarHBondContact O-N 3.39Å; I221-Y224 PolarHBondContact O-N 3.07Å; I221-Y225 HydrophobicContact CG2-CD1 4.06Å; I221-Y225 HydrophobicContact CG2-CE1 3.93Å; I221-Y225 VanDerWaalsContact O-CD1 3.23Å; I221-Y225 WeakPolarHBondContact O-CD1 3.28Å; I221-Y225 PolarHBondContact O-N 3.38Å; I221-V234 HydrophobicContact CG2-CG1 4.46Å
222	Y	98.9	Very high	98.7	Very high	8 Å²	8	31.7 Å²	31.7	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-56.3	-48.8	178.2	179.4	-85.3	0	0	0	110.9	V218 Y224 Y225 K226 V234 G250 L275 S280	V218-Y222 WeakPolarHBondContact O-CB 3.43Å; V218-Y222 PolarHBondContact O-N 2.95Å; Y222-Y224 VanDerWaalsContact C-N 3.34Å; Y222-Y224 PolarHBondContact O-N 2.95Å; Y222-Y225 PolarHBondContact O-N 2.77Å; Y222-K226 HydrophobicContact CD1-CG 3.96Å; Y222-K226 HydrophobicContact CD2-CG 4.38Å; Y222-K226 HydrophobicContact CE1-CB 4.47Å; Y222-K226 HydrophobicContact CE1-CG 3.55Å; Y222-K226 HydrophobicContact CE2-CD 4.36Å; Y222-K226 HydrophobicContact CE2-CG 4.05Å; Y222-K226 HydrophobicContact CG-CG 4.35Å; Y222-K226 WeakPolarHBondContact O-CG 3.32Å; Y222-K226 PolarHBondContact O-N 2.66Å; Y222-V234 HydrophobicContact CD2-CB 4.26Å; Y222-V234 HydrophobicContact CD2-CG2 4.46Å; Y222-G250 PolarHBondContact OH-O 3.16Å; Y222-L275 HydrophobicContact CD1-CB 3.98Å; Y222-L275 HydrophobicContact CD1-CD1 4.31Å; Y222-L275 HydrophobicContact CD1-CD2 4.35Å; Y222-L275 HydrophobicContact CD1-CG 4.45Å; Y222-L275 HydrophobicContact CD2-CD1 4.31Å; Y222-L275 HydrophobicContact CE1-CB 3.82Å; Y222-L275 HydrophobicContact CG-CB 4.45Å; Y222-L275 HydrophobicContact CG-CD1 4.03Å; Y222-S280 WeakPolarHBondContact CE1-OG 3.43Å
223	N	98.9	Very high	98.7	Very high	23 Å²	23	33 Å²	33	12%	0.123	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-43	-180	-73.1	-27.8	0	0	0	112.3	T219 K220 I221 K227 S280 L285	T219-N223 WeakPolarHBondContact O-CB 3.37Å; T219-N223 VanDerWaalsContact O-CG 3.24Å; T219-N223 PolarHBondContact O-N 3Å; T219-N223 PolarHBondContact O-ND2 2.94Å; T219-N223 VanDerWaalsContact O-ND2 3.17Å; K220-N223 PolarHBondContact O-N 3.32Å; I221-N223 VanDerWaalsContact C-N 3.33Å; I221-N223 PolarHBondContact O-N 3.39Å; N223-K227 WeakPolarHBondContact O-CB 3.27Å; N223-K227 PolarHBondContact O-N 3.49Å; N223-S280 WeakPolarHBondContact OD1-CB 3.28Å; N223-S280 PolarHBondContact OD1-OG 3.37Å; N223-L285 HydrophobicContact CB-CD1 4.06Å
224	Y	98.9	Very high	98.8	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-59.6	-47.4	175.3	-176.4	-99.8	0	0	0	111.9	F173 V177 K220 I221 Y222 K227 F228 Y230 E286 I288	F173-Y224 HydrophobicContact CE2-CD1 4.33Å; F173-Y224 HydrophobicContact CE2-CD2 4.21Å; F173-Y224 AromaticContact CE2-CG 3.88Å; F173-Y224 HydrophobicContact CE2-CG 3.88Å; F173-Y224 HydrophobicContact CZ-CD1 4.13Å; F173-Y224 AromaticContact CZ-CD2 3.51Å; F173-Y224 HydrophobicContact CZ-CD2 3.51Å; F173-Y224 AromaticContact CZ-CE2 3.9Å; F173-Y224 HydrophobicContact CZ-CE2 3.9Å; F173-Y224 AromaticContact CZ-CG 3.62Å; F173-Y224 HydrophobicContact CZ-CG 3.62Å; V177-Y224 HydrophobicContact CG2-CD1 4.34Å; V177-Y224 HydrophobicContact CG2-CE1 3.74Å; K220-Y224 WeakPolarHBondContact O-CB 3.4Å; K220-Y224 PolarHBondContact O-N 3.3Å; I221-Y224 PolarHBondContact O-N 3.07Å; Y222-Y224 VanDerWaalsContact C-N 3.34Å; Y222-Y224 PolarHBondContact O-N 2.95Å; Y224-K227 PolarHBondContact O-N 2.86Å; Y224-F228 HydrophobicContact CD1-CD2 4.39Å; Y224-F228 AromaticContact CD2-CD2 3.53Å; Y224-F228 HydrophobicContact CD2-CD2 3.53Å; Y224-F228 AromaticContact CD2-CE2 3.43Å; Y224-F228 HydrophobicContact CD2-CE2 3.43Å; Y224-F228 VanDerWaalsContact CD2-CE2 3.43Å; Y224-F228 HydrophobicContact CE1-CD2 4.31Å; Y224-F228 AromaticContact CE2-CD2 3.45Å; Y224-F228 HydrophobicContact CE2-CD2 3.45Å; Y224-F228 VanDerWaalsContact CE2-CD2 3.45Å; Y224-F228 AromaticContact CE2-CE2 3.33Å; Y224-F228 HydrophobicContact CE2-CE2 3.33Å; Y224-F228 HydrophobicContact CG-CD2 4.04Å; Y224-F228 HydrophobicContact CG-CE2 4.35Å; Y224-F228 AromaticContact CZ-CD2 3.86Å; Y224-F228 WeakPolarHBondContact O-CD2 3.3Å; Y224-F228 PolarHBondContact O-N 2.88Å; Y224-F228 VanDerWaalsContact O-N 3.13Å; Y224-Y230 HydrophobicContact CD1-CD2 4.45Å; Y224-Y230 HydrophobicContact CD1-CE2 4.25Å; Y224-Y230 HydrophobicContact CE1-CD2 4.25Å; Y224-Y230 AromaticContact CE1-CE2 3.62Å; Y224-Y230 HydrophobicContact CE1-CE2 3.62Å; Y224-E286 WeakPolarHBondContact CE2-O 3.42Å; Y224-I288 PolarHBondContact OH-N 3.48Å; Y224-I288 PolarHBondContact OH-O 3.27Å; Y224-I288 VanDerWaalsContact OH-O 3.14Å
225	Y	98.8	Very high	98.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.5	-50.1	-178.3	-84.2	41.1	0	0	0	111.2	A176 A180 I187 I221 Y222 G229 Y230 T232 V234	A176-Y225 HydrophobicContact CB-CE1 4.12Å; A176-Y225 WeakPolarHBondContact O-CE1 3.28Å; A176-Y225 PolarHBondContact O-OH 2.86Å; A180-Y225 HydrophobicContact CB-CD1 4.5Å; A180-Y225 HydrophobicContact CB-CE1 3.79Å; A180-Y225 HydrophobicContact CB-CE2 4.31Å; A180-Y225 PolarHBondContact N-OH 2.91Å; I187-Y225 HydrophobicContact CD1-CE1 4.38Å; I187-Y225 HydrophobicContact CD1-CE2 3.65Å; I187-Y225 WeakPolarHBondContact CD1-OH 3.17Å; I187-Y225 HydrophobicContact CG1-CE2 3.97Å; I221-Y225 HydrophobicContact CG2-CD1 4.06Å; I221-Y225 HydrophobicContact CG2-CE1 3.93Å; I221-Y225 VanDerWaalsContact O-CD1 3.23Å; I221-Y225 WeakPolarHBondContact O-CD1 3.28Å; I221-Y225 PolarHBondContact O-N 3.38Å; Y222-Y225 PolarHBondContact O-N 2.77Å; Y225-G229 PolarHBondContact O-N 2.61Å; Y225-G229 VanDerWaalsContact O-N 3.08Å; Y225-Y230 PolarHBondContact O-N 3.1Å; Y225-T232 HydrophobicContact CD2-CG2 4.46Å; Y225-T232 WeakPolarHBondContact CD2-O 3.33Å; Y225-T232 HydrophobicContact CE2-CG2 3.64Å; Y225-V234 HydrophobicContact CD2-CG2 3.55Å; Y225-V234 HydrophobicContact CE2-CG2 4.1Å; Y225-V234 HydrophobicContact CG-CG2 4.03Å
226	K	98.6	Very high	98.8	Very high	35 Å²	35	32 Å²	32	15%	0.152	18%	0.184	C	C	.	.	H	α-helix	trans	-71.5	-34.1	-178.6	-58.2	-43.9	177.5	-172	0	112.9	Y222 D252 V277	Y222-K226 HydrophobicContact CD1-CG 3.96Å; Y222-K226 HydrophobicContact CD2-CG 4.38Å; Y222-K226 HydrophobicContact CE1-CB 4.47Å; Y222-K226 HydrophobicContact CE1-CG 3.55Å; Y222-K226 HydrophobicContact CE2-CD 4.36Å; Y222-K226 HydrophobicContact CE2-CG 4.05Å; Y222-K226 HydrophobicContact CG-CG 4.35Å; Y222-K226 WeakPolarHBondContact O-CG 3.32Å; Y222-K226 PolarHBondContact O-N 2.66Å; K226-D252 WeakPolarHBondContact CE-OD1 3.49Å; K226-D252 IonicContact NZ-OD1 2.75Å; K226-D252 PolarHBondContact NZ-OD1 2.9Å; K226-D252 IonicContact NZ-OD2 3.67Å; K226-D252 PolarHBondContact NZ-OD2 2.84Å; K226-V277 HydrophobicContact CD-CG2 4.36Å; K226-V277 HydrophobicContact CG-CG2 4.27Å
227	K	98.6	Very high	98.7	Very high	59 Å²	59	27.8 Å²	27.8	26%	0.257	16%	0.163	S	C	.	.	H	α-helix	trans	-61.3	-46.4	175.4	-177.5	175.2	-178.4	173.1	0	111.5	N223 Y224 S280 C283 L285	N223-K227 WeakPolarHBondContact O-CB 3.27Å; N223-K227 PolarHBondContact O-N 3.49Å; Y224-K227 PolarHBondContact O-N 2.86Å; K227-S280 WeakPolarHBondContact CB-O 3.18Å; K227-C283 WeakPolarHBondContact CD-O 3.44Å; K227-C283 WeakPolarHBondContact CE-O 3.41Å; K227-C283 PolarHBondContact NZ-O 3.46Å; K227-L285 HydrophobicContact CD-CB 4Å; K227-L285 WeakPolarHBondContact CE-O 3.08Å; K227-L285 PolarHBondContact NZ-O 2.89Å
228	F	98.7	Very high	98.7	Very high	52 Å²	52	27.6 Å²	27.6	23%	0.228	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	7.4	-173.9	-63.3	-58	0	0	0	114.7	Y224 Y230 L285 E286 K287	Y224-F228 HydrophobicContact CD1-CD2 4.39Å; Y224-F228 AromaticContact CD2-CD2 3.53Å; Y224-F228 HydrophobicContact CD2-CD2 3.53Å; Y224-F228 AromaticContact CD2-CE2 3.43Å; Y224-F228 HydrophobicContact CD2-CE2 3.43Å; Y224-F228 VanDerWaalsContact CD2-CE2 3.43Å; Y224-F228 HydrophobicContact CE1-CD2 4.31Å; Y224-F228 AromaticContact CE2-CD2 3.45Å; Y224-F228 HydrophobicContact CE2-CD2 3.45Å; Y224-F228 VanDerWaalsContact CE2-CD2 3.45Å; Y224-F228 AromaticContact CE2-CE2 3.33Å; Y224-F228 HydrophobicContact CE2-CE2 3.33Å; Y224-F228 HydrophobicContact CG-CD2 4.04Å; Y224-F228 HydrophobicContact CG-CE2 4.35Å; Y224-F228 AromaticContact CZ-CD2 3.86Å; Y224-F228 WeakPolarHBondContact O-CD2 3.3Å; Y224-F228 PolarHBondContact O-N 2.88Å; Y224-F228 VanDerWaalsContact O-N 3.13Å; F228-Y230 HydrophobicContact CB-CD2 3.97Å; F228-Y230 HydrophobicContact CB-CE2 3.83Å; F228-Y230 PolarHBondContact O-N 2.85Å; F228-L285 HydrophobicContact CE2-CB 4.27Å; F228-L285 VanDerWaalsContact CZ-O 3.3Å; F228-L285 WeakPolarHBondContact CZ-O 3.36Å; F228-E286 VanDerWaalsContact CZ-C 3.43Å; F228-K287 HydrophobicContact CB-CD 4.34Å; F228-K287 HydrophobicContact CD1-CB 3.9Å; F228-K287 HydrophobicContact CD1-CD 4.06Å; F228-K287 HydrophobicContact CD1-CG 4.16Å; F228-K287 HydrophobicContact CD2-CB 4.23Å; F228-K287 HydrophobicContact CD2-CG 4.24Å; F228-K287 HydrophobicContact CE1-CB 3.67Å; F228-K287 HydrophobicContact CE1-CG 4.42Å; F228-K287 HydrophobicContact CE2-CB 4Å; F228-K287 HydrophobicContact CE2-CG 4.48Å; F228-K287 HydrophobicContact CG-CB 4.18Å; F228-K287 HydrophobicContact CG-CD 4.15Å; F228-K287 HydrophobicContact CG-CG 4.07Å; F228-K287 HydrophobicContact CZ-CB 3.71Å
229	G	98.3	Very high	98.7	Very high	66 Å²	66	28.3 Å²	28.3	68%	0.68	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	28.9	172.3	0	0	0	0	0	114.2	Y225	Y225-G229 PolarHBondContact O-N 2.61Å; Y225-G229 VanDerWaalsContact O-N 3.08Å
230	Y	98.6	Very high	98.7	Very high	35 Å²	35	31.5 Å²	31.5	14%	0.137	17%	0.172	C	C	.	.			trans	-71.2	134.4	173.1	-71.1	-69.9	0	0	0	110.5	A180 Y224 Y225 F228 K287	A180-Y230 HydrophobicContact CB-CD1 3.69Å; A180-Y230 HydrophobicContact CB-CD2 3.92Å; A180-Y230 HydrophobicContact CB-CE1 3.85Å; A180-Y230 HydrophobicContact CB-CE2 4.06Å; A180-Y230 HydrophobicContact CB-CG 3.72Å; Y224-Y230 HydrophobicContact CD1-CD2 4.45Å; Y224-Y230 HydrophobicContact CD1-CE2 4.25Å; Y224-Y230 HydrophobicContact CE1-CD2 4.25Å; Y224-Y230 AromaticContact CE1-CE2 3.62Å; Y224-Y230 HydrophobicContact CE1-CE2 3.62Å; Y225-Y230 PolarHBondContact O-N 3.1Å; F228-Y230 HydrophobicContact CB-CD2 3.97Å; F228-Y230 HydrophobicContact CB-CE2 3.83Å; F228-Y230 PolarHBondContact O-N 2.85Å; Y230-K287 WeakPolarHBondContact OH-CE 3.46Å
231	S	98.3	Very high	98.6	Very high	106 Å²	106	29.5 Å²	29.5	74%	0.741	17%	0.166	S	C	*	.			trans	-83.3	-14	-178.2	55.3	0	0	0	0	113.9	V233	S231-V233 PolarHBondContact O-N 2.83Å
232	T	98.9	Very high	98.6	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	17%	0.174	C	C	.	.			trans	-56.6	128.2	176.7	-57.3	0	0	0	0	110.3	V184 I187 Y225	V184-T232 HydrophobicContact CG2-CG2 3.76Å; V184-T232 VanDerWaalsContact O-CB 3.27Å; V184-T232 WeakPolarHBondContact O-CB 3.19Å; V184-T232 WeakPolarHBondContact O-CG2 3.18Å; V184-T232 PolarHBondContact O-OG1 3.35Å; I187-T232 HydrophobicContact CB-CG2 4.43Å; I187-T232 HydrophobicContact CG1-CG2 4.16Å; I187-T232 HydrophobicContact CG2-CG2 3.84Å; Y225-T232 HydrophobicContact CD2-CG2 4.46Å; Y225-T232 WeakPolarHBondContact CD2-O 3.33Å; Y225-T232 HydrophobicContact CE2-CG2 3.64Å
233	V	98.9	Very high	98.6	Very high	32 Å²	32	31.1 Å²	31.1	19%	0.194	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	133.5	179.8	177.4	0	0	0	0	109.8	T185 L186 I187 S231 D252 L253	T185-V233 PolarHBondContact O-N 3.12Å; L186-V233 WeakPolarHBondContact CA-O 3.44Å; L186-V233 HydrophobicContact CB-CB 4.18Å; L186-V233 HydrophobicContact CD1-CB 4.11Å; L186-V233 HydrophobicContact CD1-CG1 3.88Å; L186-V233 HydrophobicContact CG-CB 4.09Å; L186-V233 HydrophobicContact CG-CG1 4.23Å; I187-V233 PolarHBondContact N-O 3.4Å; S231-V233 PolarHBondContact O-N 2.83Å; V233-D252 HydrophobicContact CG1-CB 3.8Å; V233-L253 HydrophobicContact CG1-CD1 3.49Å; V233-L253 VanDerWaalsContact CG1-CD1 3.49Å; V233-L253 HydrophobicContact CG1-CD2 4.18Å; V233-L253 HydrophobicContact CG1-CG 4.3Å
234	V	98.9	Very high	98.6	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	113.3	175.1	-173.6	0	0	0	0	109.5	I187 P189 V218 I221 Y222 Y225 C251 D252 L253	I187-V234 HydrophobicContact CD1-CG2 4.36Å; I187-V234 HydrophobicContact CG1-CG2 4.44Å; P189-V234 HydrophobicContact CG-CG1 4.06Å; V218-V234 HydrophobicContact CG1-CG1 4.3Å; I221-V234 HydrophobicContact CG2-CG1 4.46Å; Y222-V234 HydrophobicContact CD2-CB 4.26Å; Y222-V234 HydrophobicContact CD2-CG2 4.46Å; Y225-V234 HydrophobicContact CD2-CG2 3.55Å; Y225-V234 HydrophobicContact CE2-CG2 4.1Å; Y225-V234 HydrophobicContact CG-CG2 4.03Å; V234-C251 PolarHBondContact O-SG 3.03Å; V234-D252 PolarHBondContact N-OD2 2.91Å; V234-D252 WeakPolarHBondContact O-CB 3.44Å; V234-L253 PolarHBondContact O-N 3.39Å
235	M	98.9	Very high	98.6	Very high	2 Å²	2	30 Å²	30	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	100	176.5	-174.9	165.7	71.1	0	0	111.4	V26 T44 L186 I187 S188 P189 A237 L253 T255	V26-M235 HydrophobicContact CB-SD 4.09Å; V26-M235 HydrophobicContact CG1-SD 3.98Å; V26-M235 HydrophobicContact CG2-SD 3.89Å; T44-M235 HydrophobicContact CG2-CE 3.55Å; T44-M235 HydrophobicContact CG2-SD 4.43Å; L186-M235 HydrophobicContact CD1-CB 4.12Å; L186-M235 HydrophobicContact CD1-CE 4.32Å; L186-M235 HydrophobicContact CD1-SD 4.25Å; L186-M235 HydrophobicContact CD2-CB 3.98Å; L186-M235 HydrophobicContact CD2-CE 3.76Å; L186-M235 HydrophobicContact CG-CB 4.22Å; I187-M235 PolarHBondContact O-N 3.22Å; S188-M235 WeakPolarHBondContact CA-O 3.3Å; S188-M235 VanDerWaalsContact OG-CE 3.27Å; S188-M235 WeakPolarHBondContact OG-CE 2.97Å; P189-M235 WeakPolarHBondContact CD-O 3.49Å; M235-A237 PolarHBondContact O-N 3.09Å; M235-L253 VanDerWaalsContact CA-O 3.28Å; M235-L253 WeakPolarHBondContact CA-O 3.21Å; M235-L253 HydrophobicContact CB-CB 3.8Å; M235-L253 HydrophobicContact CG-CB 3.59Å; M235-L253 HydrophobicContact SD-CB 3.95Å; M235-L253 HydrophobicContact SD-CD2 3.89Å; M235-T255 HydrophobicContact CE-CG2 4.07Å; M235-T255 HydrophobicContact CG-CG2 4.23Å; M235-T255 HydrophobicContact SD-CG2 4.28Å
236	G	98.8	Very high	98.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	135.4	175.4	0	0	0	0	0	111	F239 L253 L254 T255	G236-F239 WeakPolarHBondContact O-CE2 3.26Å; G236-L253 PolarHBondContact N-O 3.11Å; G236-L253 VanDerWaalsContact N-O 3.09Å; G236-L254 WeakPolarHBondContact O-CA 3.25Å; G236-T255 PolarHBondContact O-N 2.87Å
237	A	98.6	Very high	98.6	Very high	4 Å²	4	30.8 Å²	30.8	3%	0.033	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-138.6	167.6	-171.4	0	0	0	0	0	113.3	P189 F190 V191 M235 T255	P189-A237 PolarHBondContact O-N 2.64Å; F190-A237 WeakPolarHBondContact CA-O 3.27Å; F190-A237 HydrophobicContact CD1-CB 3.94Å; F190-A237 HydrophobicContact CE1-CB 4.1Å; V191-A237 PolarHBondContact N-O 3.23Å; M235-A237 PolarHBondContact O-N 3.09Å; A237-T255 HydrophobicContact CB-CG2 3.54Å
238	S	97.8	Very high	98.6	Very high	18 Å²	18	28 Å²	28	13%	0.126	17%	0.167	C	C	.	.			trans	59.3	51.1	174.7	178	0	0	0	0	114.2	G192 R240	G192-S238 WeakPolarHBondContact CA-O 3.45Å; G192-S238 PolarHBondContact N-O 2.95Å; S238-R240 PolarHBondContact O-NH1 3.27Å
239	F	98.7	Very high	98.6	Very high	16 Å²	16	25.5 Å²	25.5	7%	0.07	16%	0.156	C	C	.	.			trans	-69.3	151.1	177	-64.1	-73.2	0	0	0	113.7	V191 G236 E244 V245 L248 L254 T255 I256 L260	V191-F239 HydrophobicContact CB-CD1 4.18Å; V191-F239 HydrophobicContact CB-CE1 4.08Å; V191-F239 HydrophobicContact CG1-CD1 4.29Å; V191-F239 HydrophobicContact CG1-CE1 4.28Å; V191-F239 HydrophobicContact CG2-CD1 4.38Å; V191-F239 HydrophobicContact CG2-CE1 3.79Å; V191-F239 HydrophobicContact CG2-CZ 4.26Å; G236-F239 WeakPolarHBondContact O-CE2 3.26Å; F239-E244 VanDerWaalsContact CA-OE2 3.27Å; F239-E244 WeakPolarHBondContact CA-OE2 3.49Å; F239-E244 HydrophobicContact CD1-CB 3.64Å; F239-E244 HydrophobicContact CE1-CB 4.11Å; F239-V245 HydrophobicContact CB-CG2 3.99Å; F239-V245 HydrophobicContact CD1-CG2 3.65Å; F239-V245 HydrophobicContact CD2-CG2 3.83Å; F239-V245 HydrophobicContact CE1-CG2 4.05Å; F239-V245 HydrophobicContact CE2-CG2 4.23Å; F239-V245 HydrophobicContact CG-CG2 3.52Å; F239-V245 HydrophobicContact CZ-CG2 4.35Å; F239-L248 HydrophobicContact CE1-CD1 3.93Å; F239-L248 HydrophobicContact CZ-CD1 4.16Å; F239-L254 HydrophobicContact CE2-CB 4.22Å; F239-L254 HydrophobicContact CE2-CD2 4.04Å; F239-L254 HydrophobicContact CZ-CB 4.48Å; F239-L254 HydrophobicContact CZ-CD1 4.44Å; F239-L254 HydrophobicContact CZ-CD2 3.52Å; F239-L254 HydrophobicContact CZ-CG 4.33Å; F239-T255 WeakPolarHBondContact CD2-O 3.39Å; F239-I256 HydrophobicContact CD2-CG1 4.2Å; F239-I256 HydrophobicContact CE2-CG1 4.26Å; F239-L260 HydrophobicContact CB-CD1 3.46Å; F239-L260 VanDerWaalsContact CB-CD1 3.46Å
240	R	98.3	Very high	98.6	Very high	103 Å²	103	22.8 Å²	22.8	39%	0.389	13%	0.129	S	C	.	.	S	Bend	trans	-105.2	-27.7	169.3	-66.2	-72.2	168.5	-83.9	1.3	112.6	L195 D196 S238 E244	L195-R240 HydrophobicContact CD2-CB 4.45Å; L195-R240 HydrophobicContact CD2-CG 4.41Å; D196-R240 IonicContact OD1-CZ 2.72Å; D196-R240 IonicContact OD1-NE 2.74Å; D196-R240 PolarHBondContact OD1-NE 3.22Å; D196-R240 IonicContact OD2-CZ 2.64Å; D196-R240 VanDerWaalsContact OD2-CZ 3.27Å; D196-R240 IonicContact OD2-NE 3.19Å; D196-R240 PolarHBondContact OD2-NE 3.19Å; D196-R240 VanDerWaalsContact OD2-NE 3.08Å; D196-R240 IonicContact OD2-NH2 2.9Å; D196-R240 PolarHBondContact OD2-NH2 3.46Å; S238-R240 PolarHBondContact O-NH1 3.27Å; R240-E244 WeakPolarHBondContact CB-OE1 3.39Å; R240-E244 PolarHBondContact N-OE2 2.91Å
241	N	98.4	Very high	98.6	Very high	57 Å²	57	21.1 Å²	21.1	31%	0.305	12%	0.122	S	C	.	.	S	Bend	trans	-152.3	161.8	-174.9	62.2	80.4	0	0	0	111.4	G243 E244	N241-G243 PolarHBondContact O-N 2.9Å; N241-G243 VanDerWaalsContact OD1-CA 3.28Å; N241-G243 WeakPolarHBondContact OD1-CA 3.15Å; N241-G243 PolarHBondContact OD1-N 3.5Å; N241-E244 PolarHBondContact ND2-OE1 3.03Å; N241-E244 PolarHBondContact O-N 3.3Å; N241-E244 PolarHBondContact OD1-N 3.31Å
242	T	98.4	Very high	98.6	Very high	26 Å²	26	17.9 Å²	17.9	16%	0.16	10%	0.096	C	C	.	.	H	α-helix	trans	-69.6	-19	179.4	57.9	0	0	0	0	113.5	V245 K246 L260 E263 L264	T242-V245 PolarHBondContact O-N 3.42Å; T242-K246 VanDerWaalsContact O-CG 3.32Å; T242-K246 WeakPolarHBondContact O-CG 3.45Å; T242-K246 PolarHBondContact O-N 2.85Å; T242-L260 HydrophobicContact CG2-CD2 4.04Å; T242-E263 HydrophobicContact CG2-CB 3.7Å; T242-E263 WeakPolarHBondContact CG2-OE2 3.38Å; T242-L264 HydrophobicContact CG2-CD2 3.87Å; T242-L264 HydrophobicContact CG2-CG 3.71Å
243	G	98.5	Very high	98.6	Very high	17 Å²	17	18.5 Å²	18.5	18%	0.175	10%	0.1	C	C	.	.	H	α-helix	trans	-61.7	-49.1	173.7	0	0	0	0	0	111.9	N241 V245 K246 A247	N241-G243 PolarHBondContact O-N 2.9Å; N241-G243 VanDerWaalsContact OD1-CA 3.28Å; N241-G243 WeakPolarHBondContact OD1-CA 3.15Å; N241-G243 PolarHBondContact OD1-N 3.5Å; G243-V245 VanDerWaalsContact C-N 3.33Å; G243-V245 PolarHBondContact O-N 3.41Å; G243-K246 PolarHBondContact O-N 3.32Å; G243-A247 WeakPolarHBondContact O-CB 3.38Å; G243-A247 PolarHBondContact O-N 3.36Å
244	E	98.7	Very high	98.6	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-57.1	-44.5	174.4	-68.8	165.4	-170.8	0	0	112.1	V191 L195 V215 F239 R240 N241 K246 A247 L248	V191-E244 HydrophobicContact CG1-CB 3.99Å; V191-E244 HydrophobicContact CG1-CG 3.88Å; L195-E244 WeakPolarHBondContact CD2-OE1 3.33Å; V215-E244 HydrophobicContact CG2-CB 4.06Å; V215-E244 HydrophobicContact CG2-CG 4.15Å; F239-E244 VanDerWaalsContact CA-OE2 3.27Å; F239-E244 WeakPolarHBondContact CA-OE2 3.49Å; F239-E244 HydrophobicContact CD1-CB 3.64Å; F239-E244 HydrophobicContact CE1-CB 4.11Å; R240-E244 WeakPolarHBondContact CB-OE1 3.39Å; R240-E244 PolarHBondContact N-OE2 2.91Å; N241-E244 PolarHBondContact ND2-OE1 3.03Å; N241-E244 PolarHBondContact O-N 3.3Å; N241-E244 PolarHBondContact OD1-N 3.31Å; E244-K246 PolarHBondContact O-N 3.06Å; E244-A247 PolarHBondContact O-N 3.49Å; E244-L248 PolarHBondContact O-N 3.12Å
245	V	98.7	Very high	98.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.1	-49.2	178.8	177.4	0	0	0	0	110.6	L19 F239 T242 G243 A247 L248 A249 L254 I256 L264	L19-V245 HydrophobicContact CD2-CG1 3.59Å; F239-V245 HydrophobicContact CB-CG2 3.99Å; F239-V245 HydrophobicContact CD1-CG2 3.65Å; F239-V245 HydrophobicContact CD2-CG2 3.83Å; F239-V245 HydrophobicContact CE1-CG2 4.05Å; F239-V245 HydrophobicContact CE2-CG2 4.23Å; F239-V245 HydrophobicContact CG-CG2 3.52Å; F239-V245 HydrophobicContact CZ-CG2 4.35Å; T242-V245 PolarHBondContact O-N 3.42Å; G243-V245 VanDerWaalsContact C-N 3.33Å; G243-V245 PolarHBondContact O-N 3.41Å; V245-A247 VanDerWaalsContact C-N 3.32Å; V245-A247 PolarHBondContact O-N 2.79Å; V245-L248 CarbonylContact O-C 3.58Å; V245-L248 PolarHBondContact O-N 2.64Å; V245-A249 PolarHBondContact O-N 2.57Å; V245-L254 HydrophobicContact CG1-CD1 3.92Å; V245-I256 HydrophobicContact CG1-CD1 3.64Å; V245-I256 HydrophobicContact CG1-CG1 4.43Å; V245-I256 HydrophobicContact CG2-CD1 4.4Å; V245-I256 HydrophobicContact CG2-CG1 4.41Å; V245-L264 HydrophobicContact CB-CD1 4.42Å; V245-L264 HydrophobicContact CG1-CD1 3.87Å
246	K	98.6	Very high	98.6	Very high	43 Å²	43	17 Å²	17	19%	0.187	9%	0.091	C	C	.	.	H	α-helix	trans	-66.5	-34.8	179.4	-68.5	177	-165.2	170.1	0	112.4	T242 G243 E244 L248 A249 L264 D267 S269 V271 M274	T242-K246 VanDerWaalsContact O-CG 3.32Å; T242-K246 WeakPolarHBondContact O-CG 3.45Å; T242-K246 PolarHBondContact O-N 2.85Å; G243-K246 PolarHBondContact O-N 3.32Å; E244-K246 PolarHBondContact O-N 3.06Å; K246-L248 PolarHBondContact O-N 3.36Å; K246-A249 VanDerWaalsContact O-CB 3.3Å; K246-A249 WeakPolarHBondContact O-CB 3.36Å; K246-A249 PolarHBondContact O-N 3.02Å; K246-A249 VanDerWaalsContact O-N 3.12Å; K246-L264 HydrophobicContact CG-CD2 4.44Å; K246-D267 WeakPolarHBondContact CE-OD2 3.3Å; K246-D267 IonicContact NZ-OD1 2.72Å; K246-D267 IonicContact NZ-OD2 2.74Å; K246-D267 PolarHBondContact NZ-OD2 2.92Å; K246-S269 PolarHBondContact NZ-OG 3Å; K246-V271 HydrophobicContact CD-CG2 4.36Å; K246-V271 HydrophobicContact CG-CG2 4.16Å; K246-M274 WeakPolarHBondContact O-CG 3.34Å
247	A	98.6	Very high	98.5	Very high	8 Å²	8	19.1 Å²	19.1	7%	0.066	11%	0.106	C	C	.	.	H	α-helix	trans	-65.8	-17.4	177.4	0	0	0	0	0	112.7	P209 V215 G243 E244 V245 M274	P209-A247 HydrophobicContact CB-CB 3.95Å; V215-A247 HydrophobicContact CG1-CB 3.69Å; V215-A247 HydrophobicContact CG2-CB 4.1Å; G243-A247 WeakPolarHBondContact O-CB 3.38Å; G243-A247 PolarHBondContact O-N 3.36Å; E244-A247 PolarHBondContact O-N 3.49Å; V245-A247 VanDerWaalsContact C-N 3.32Å; V245-A247 PolarHBondContact O-N 2.79Å; A247-M274 WeakPolarHBondContact O-CB 3.42Å; A247-M274 WeakPolarHBondContact O-CG 3.29Å
248	L	98.8	Very high	98.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	13.9	174.6	-63.9	177.4	0	0	0	113.6	V191 V215 V218 F239 E244 V245 K246 G250 C251 L254 L275	V191-L248 HydrophobicContact CG2-CD1 3.65Å; V215-L248 HydrophobicContact CB-CD2 4.47Å; V215-L248 HydrophobicContact CG1-CD2 3.85Å; V215-L248 HydrophobicContact CG1-CG 4.17Å; V215-L248 HydrophobicContact CG2-CG 4.37Å; V218-L248 HydrophobicContact CB-CD1 3.9Å; V218-L248 HydrophobicContact CB-CD2 3.93Å; V218-L248 HydrophobicContact CG1-CD1 3.88Å; V218-L248 HydrophobicContact CG1-CD2 3.93Å; V218-L248 HydrophobicContact CG2-CD1 4.18Å; F239-L248 HydrophobicContact CE1-CD1 3.93Å; F239-L248 HydrophobicContact CZ-CD1 4.16Å; E244-L248 PolarHBondContact O-N 3.12Å; V245-L248 CarbonylContact O-C 3.58Å; V245-L248 PolarHBondContact O-N 2.64Å; K246-L248 PolarHBondContact O-N 3.36Å; L248-G250 PolarHBondContact O-N 3.45Å; L248-C251 VanDerWaalsContact O-CB 3.25Å; L248-C251 WeakPolarHBondContact O-CB 3.45Å; L248-C251 PolarHBondContact O-N 2.73Å; L248-L254 HydrophobicContact CB-CD1 4.33Å; L248-L254 HydrophobicContact CB-CD2 4.18Å; L248-L254 HydrophobicContact CD1-CD2 4.46Å; L248-L275 HydrophobicContact CB-CD1 4.42Å; L248-L275 HydrophobicContact CD2-CD1 3.95Å
249	A	98.7	Very high	98.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	126.1	175.7	0	0	0	0	0	110.9	L19 L22 V245 K246 V271 T272 M274 L275	L19-A249 HydrophobicContact CD1-CB 3.74Å; L22-A249 HydrophobicContact CD1-CB 4.05Å; V245-A249 PolarHBondContact O-N 2.57Å; K246-A249 VanDerWaalsContact O-CB 3.3Å; K246-A249 WeakPolarHBondContact O-CB 3.36Å; K246-A249 PolarHBondContact O-N 3.02Å; K246-A249 VanDerWaalsContact O-N 3.12Å; A249-V271 HydrophobicContact CB-CG1 3.6Å; A249-T272 WeakPolarHBondContact CB-O 3.14Å; A249-M274 PolarHBondContact O-N 2.93Å; A249-L275 PolarHBondContact O-N 3.13Å; A249-L275 VanDerWaalsContact O-N 3.07Å
250	G	98.5	Very high	98.2	Very high	10 Å²	10	21.6 Å²	21.6	10%	0.103	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.8	-6.7	-169.2	0	0	0	0	0	114.4	T23 Y222 L248 L275	T23-G250 WeakPolarHBondContact OG1-CA 3.47Å; T23-G250 PolarHBondContact OG1-N 3.34Å; Y222-G250 PolarHBondContact OH-O 3.16Å; L248-G250 PolarHBondContact O-N 3.45Å; G250-L275 WeakPolarHBondContact CA-O 3.23Å
251	C	98.6	Very high	98.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-58.9	153.9	163.3	-157.9	0	0	0	0	109.6	T23 V234 L248 L253 L254 L275	T23-C251 WeakPolarHBondContact CB-O 3.4Å; T23-C251 WeakPolarHBondContact CG2-O 3.44Å; T23-C251 PolarHBondContact OG1-N 3.44Å; T23-C251 PolarHBondContact OG1-O 3Å; V234-C251 PolarHBondContact O-SG 3.03Å; L248-C251 VanDerWaalsContact O-CB 3.25Å; L248-C251 WeakPolarHBondContact O-CB 3.45Å; L248-C251 PolarHBondContact O-N 2.73Å; C251-L253 PolarHBondContact O-N 3.28Å; C251-L254 HydrophobicContact CB-CD2 3.93Å; C251-L254 HydrophobicContact CB-CG 4.26Å; C251-L275 HydrophobicContact CB-CD1 3.87Å
252	D	98.7	Very high	98.1	Very high	37 Å²	37	15.2 Å²	15.2	20%	0.198	11%	0.107	C	C	.	.	S	Bend	trans	-58.6	-55.6	-176.2	-55.8	-38.7	0	0	0	110	V24 K226 V233 V234	V24-D252 PolarHBondContact N-O 3.4Å; K226-D252 WeakPolarHBondContact CE-OD1 3.49Å; K226-D252 IonicContact NZ-OD1 2.75Å; K226-D252 PolarHBondContact NZ-OD1 2.9Å; K226-D252 IonicContact NZ-OD2 3.67Å; K226-D252 PolarHBondContact NZ-OD2 2.84Å; V233-D252 HydrophobicContact CG1-CB 3.8Å; V234-D252 PolarHBondContact N-OD2 2.91Å; V234-D252 WeakPolarHBondContact O-CB 3.44Å
253	L	98.8	Very high	98.1	Very high	14 Å²	14	18.8 Å²	18.8	7%	0.073	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.2	176.7	-78.3	61.6	0	0	0	110	V24 V26 L186 V233 V234 M235 G236 C251	V24-L253 HydrophobicContact CB-CD1 3.94Å; V24-L253 HydrophobicContact CB-CG 3.86Å; V24-L253 HydrophobicContact CG1-CD1 4.39Å; V24-L253 HydrophobicContact CG1-CG 4.04Å; V24-L253 HydrophobicContact CG2-CD1 4.38Å; V24-L253 VanDerWaalsContact O-CA 3.25Å; V24-L253 WeakPolarHBondContact O-CA 3.4Å; V26-L253 HydrophobicContact CG2-CB 4.2Å; V26-L253 HydrophobicContact CG2-CD2 3.83Å; V26-L253 HydrophobicContact CG2-CG 4.05Å; L186-L253 HydrophobicContact CD1-CD2 3.85Å; V233-L253 HydrophobicContact CG1-CD1 3.49Å; V233-L253 VanDerWaalsContact CG1-CD1 3.49Å; V233-L253 HydrophobicContact CG1-CD2 4.18Å; V233-L253 HydrophobicContact CG1-CG 4.3Å; V234-L253 PolarHBondContact O-N 3.39Å; M235-L253 VanDerWaalsContact CA-O 3.28Å; M235-L253 WeakPolarHBondContact CA-O 3.21Å; M235-L253 HydrophobicContact CB-CB 3.8Å; M235-L253 HydrophobicContact CG-CB 3.59Å; M235-L253 HydrophobicContact SD-CB 3.95Å; M235-L253 HydrophobicContact SD-CD2 3.89Å; G236-L253 PolarHBondContact N-O 3.11Å; G236-L253 VanDerWaalsContact N-O 3.09Å; C251-L253 PolarHBondContact O-N 3.28Å
254	L	98.8	Very high	98	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	123.2	164.2	-67.8	176.8	0	0	0	108.9	L19 T23 V24 V26 G236 F239 V245 L248 C251 I256	L19-L254 HydrophobicContact CD1-CD1 4.31Å; T23-L254 HydrophobicContact CG2-CB 3.96Å; T23-L254 HydrophobicContact CG2-CD1 3.96Å; T23-L254 HydrophobicContact CG2-CG 3.65Å; V24-L254 PolarHBondContact O-N 2.95Å; V26-L254 PolarHBondContact N-O 3.06Å; G236-L254 WeakPolarHBondContact O-CA 3.25Å; F239-L254 HydrophobicContact CE2-CB 4.22Å; F239-L254 HydrophobicContact CE2-CD2 4.04Å; F239-L254 HydrophobicContact CZ-CB 4.48Å; F239-L254 HydrophobicContact CZ-CD1 4.44Å; F239-L254 HydrophobicContact CZ-CD2 3.52Å; F239-L254 HydrophobicContact CZ-CG 4.33Å; V245-L254 HydrophobicContact CG1-CD1 3.92Å; L248-L254 HydrophobicContact CB-CD1 4.33Å; L248-L254 HydrophobicContact CB-CD2 4.18Å; L248-L254 HydrophobicContact CD1-CD2 4.46Å; C251-L254 HydrophobicContact CB-CD2 3.93Å; C251-L254 HydrophobicContact CB-CG 4.26Å; L254-I256 HydrophobicContact CB-CD1 4.08Å; L254-I256 HydrophobicContact CB-CG1 4.09Å
255	T	98.4	Very high	97.9	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.025	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.4	173.4	-168.2	0	0	0	0	110.2	V26 D28 T44 M235 G236 A237 F239	V26-T255 WeakPolarHBondContact CG1-OG1 3.17Å; V26-T255 WeakPolarHBondContact O-CA 3.49Å; D28-T255 WeakPolarHBondContact CB-OG1 3.35Å; T44-T255 PolarHBondContact OG1-OG1 2.8Å; M235-T255 HydrophobicContact CE-CG2 4.07Å; M235-T255 HydrophobicContact CG-CG2 4.23Å; M235-T255 HydrophobicContact SD-CG2 4.28Å; G236-T255 PolarHBondContact O-N 2.87Å; A237-T255 HydrophobicContact CB-CG2 3.54Å; F239-T255 WeakPolarHBondContact CD2-O 3.39Å
256	I	98.3	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.4	-164.6	-53.4	168.9	0	0	0	108.6	L19 V25 V26 D28 F239 V245 L254 L260 L261 L264	L19-I256 HydrophobicContact CD2-CD1 3.97Å; V25-I256 HydrophobicContact CG1-CD1 4.38Å; V26-I256 PolarHBondContact O-N 3.24Å; D28-I256 PolarHBondContact N-O 2.73Å; F239-I256 HydrophobicContact CD2-CG1 4.2Å; F239-I256 HydrophobicContact CE2-CG1 4.26Å; V245-I256 HydrophobicContact CG1-CD1 3.64Å; V245-I256 HydrophobicContact CG1-CG1 4.43Å; V245-I256 HydrophobicContact CG2-CD1 4.4Å; V245-I256 HydrophobicContact CG2-CG1 4.41Å; L254-I256 HydrophobicContact CB-CD1 4.08Å; L254-I256 HydrophobicContact CB-CG1 4.09Å; I256-L260 HydrophobicContact CG2-CB 3.52Å; I256-L260 HydrophobicContact CG2-CD1 4.48Å; I256-L261 HydrophobicContact CB-CD2 3.9Å; I256-L261 HydrophobicContact CB-CG 4.02Å; I256-L261 HydrophobicContact CD1-CD2 4.21Å; I256-L261 HydrophobicContact CG2-CD2 3.97Å; I256-L261 HydrophobicContact CG2-CG 3.87Å; I256-L264 HydrophobicContact CD1-CD1 4.18Å; I256-L264 HydrophobicContact CG2-CD1 4.44Å
257	S	96.9	Very high	97.8	Very high	44 Å²	44	26.8 Å²	26.8	31%	0.308	16%	0.161	S	C	.	.			trans	-67.3	152.8	178.2	66.9	0	0	0	0	111.5	G259 L260 L261	S257-G259 PolarHBondContact O-N 3.29Å; S257-L260 PolarHBondContact O-N 3.35Å; S257-L260 VanDerWaalsContact O-N 3.1Å; S257-L261 WeakPolarHBondContact O-CG 3.48Å; S257-L261 PolarHBondContact O-N 3.44Å
258	P	95.8	Very high	97.7	Very high	34 Å²	34	30.6 Å²	30.6	22%	0.221	18%	0.178	C	C	.	.	H	α-helix	trans	-53.4	-37.9	178	-29.1	35.7	0	0	0	114	T29 A34 L261 A262	T29-P258 HydrophobicContact CG2-CG 4.13Å; A34-P258 HydrophobicContact CB-CG 4.41Å; P258-L261 PolarHBondContact O-N 3.16Å; P258-A262 WeakPolarHBondContact O-CB 3.22Å; P258-A262 PolarHBondContact O-N 3.47Å
259	G	96.3	Very high	97.5	Very high	45 Å²	45	33 Å²	33	46%	0.464	19%	0.194	S	C	.	.	H	α-helix	trans	-61.3	-46.1	177.1	0	0	0	0	0	113.1	S257 A262 E263	S257-G259 PolarHBondContact O-N 3.29Å; G259-A262 WeakPolarHBondContact O-CB 3.25Å; G259-A262 PolarHBondContact O-N 3.13Å; G259-E263 PolarHBondContact O-N 3.32Å
260	L	97.8	Very high	97.4	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-72.4	-30.9	177.7	-69.2	176.5	0	0	0	112.3	F239 T242 I256 S257 A262 E263 L264	F239-L260 HydrophobicContact CB-CD1 3.46Å; F239-L260 VanDerWaalsContact CB-CD1 3.46Å; T242-L260 HydrophobicContact CG2-CD2 4.04Å; I256-L260 HydrophobicContact CG2-CB 3.52Å; I256-L260 HydrophobicContact CG2-CD1 4.48Å; S257-L260 PolarHBondContact O-N 3.35Å; S257-L260 VanDerWaalsContact O-N 3.1Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-E263 PolarHBondContact O-N 3.42Å; L260-L264 WeakPolarHBondContact O-CB 3.4Å; L260-L264 WeakPolarHBondContact O-CD1 3.48Å; L260-L264 VanDerWaalsContact O-CG 3.27Å; L260-L264 WeakPolarHBondContact O-CG 3.18Å; L260-L264 PolarHBondContact O-N 3.01Å
261	L	97.4	Very high	97.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-42.3	170.4	-70.9	172.4	0	0	0	111.2	L16 V25 A27 Y38 I256 S257 P258 L264 S265	L16-L261 HydrophobicContact CD1-CD2 3.75Å; V25-L261 HydrophobicContact CG1-CD2 3.68Å; A27-L261 HydrophobicContact CB-CD1 4.42Å; Y38-L261 HydrophobicContact CD1-CB 3.79Å; Y38-L261 HydrophobicContact CD2-CB 3.91Å; Y38-L261 HydrophobicContact CD2-CD1 3.84Å; Y38-L261 HydrophobicContact CE1-CB 3.95Å; Y38-L261 HydrophobicContact CE2-CB 4.09Å; Y38-L261 HydrophobicContact CG-CB 3.77Å; Y38-L261 HydrophobicContact CG-CD1 3.93Å; Y38-L261 HydrophobicContact CG-CG 4.37Å; I256-L261 HydrophobicContact CB-CD2 3.9Å; I256-L261 HydrophobicContact CB-CG 4.02Å; I256-L261 HydrophobicContact CD1-CD2 4.21Å; I256-L261 HydrophobicContact CG2-CD2 3.97Å; I256-L261 HydrophobicContact CG2-CG 3.87Å; S257-L261 WeakPolarHBondContact O-CG 3.48Å; S257-L261 PolarHBondContact O-N 3.44Å; P258-L261 PolarHBondContact O-N 3.16Å; L261-L264 PolarHBondContact O-N 2.88Å; L261-S265 WeakPolarHBondContact O-CB 3.07Å; L261-S265 PolarHBondContact O-N 2.69Å
262	A	96.7	Very high	97.3	Very high	25 Å²	25	41.3 Å²	41.3	21%	0.207	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-48.3	175	0	0	0	0	0	111.2	Y38 P258 G259 L260 L264 S265 Q266	Y38-A262 VanDerWaalsContact OH-CB 3.32Å; Y38-A262 WeakPolarHBondContact OH-CB 3.46Å; P258-A262 WeakPolarHBondContact O-CB 3.22Å; P258-A262 PolarHBondContact O-N 3.47Å; G259-A262 WeakPolarHBondContact O-CB 3.25Å; G259-A262 PolarHBondContact O-N 3.13Å; L260-A262 VanDerWaalsContact C-N 3.34Å; A262-L264 PolarHBondContact O-N 3.27Å; A262-S265 WeakPolarHBondContact O-CB 3.31Å; A262-S265 PolarHBondContact O-N 3.21Å; A262-S265 VanDerWaalsContact O-N 3.14Å; A262-S265 PolarHBondContact O-OG 3.4Å; A262-Q266 WeakPolarHBondContact O-CG 3.47Å; A262-Q266 PolarHBondContact O-N 3.24Å
263	E	97.9	Very high	97.2	Very high	101 Å²	101	41.4 Å²	41.4	47%	0.472	26%	0.257	S	S	.	.	H	α-helix	trans	-58.1	-48.2	176.2	-71.3	175.8	-150.2	0	0	112	T242 G259 L260 S265 Q266 D267	T242-E263 HydrophobicContact CG2-CB 3.7Å; T242-E263 WeakPolarHBondContact CG2-OE2 3.38Å; G259-E263 PolarHBondContact O-N 3.32Å; L260-E263 PolarHBondContact O-N 3.42Å; E263-S265 PolarHBondContact O-N 2.96Å; E263-Q266 PolarHBondContact O-N 3.01Å; E263-Q266 VanDerWaalsContact O-N 3.15Å; E263-D267 WeakPolarHBondContact O-CB 3.45Å; E263-D267 PolarHBondContact O-N 3.4Å
264	L	97.6	Very high	97.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-64	-27.7	177.6	-71.5	164.7	0	0	0	113.1	A15 L16 L19 T242 V245 K246 I256 L260 L261 A262 Q266	A15-L264 HydrophobicContact CB-CD2 4.11Å; A15-L264 PolarHBondContact N-O 2.94Å; L16-L264 HydrophobicContact CB-CB 3.9Å; L16-L264 PolarHBondContact N-O 3.36Å; L19-L264 HydrophobicContact CD2-CD1 4.41Å; T242-L264 HydrophobicContact CG2-CD2 3.87Å; T242-L264 HydrophobicContact CG2-CG 3.71Å; V245-L264 HydrophobicContact CB-CD1 4.42Å; V245-L264 HydrophobicContact CG1-CD1 3.87Å; K246-L264 HydrophobicContact CG-CD2 4.44Å; I256-L264 HydrophobicContact CD1-CD1 4.18Å; I256-L264 HydrophobicContact CG2-CD1 4.44Å; L260-L264 WeakPolarHBondContact O-CB 3.4Å; L260-L264 WeakPolarHBondContact O-CD1 3.48Å; L260-L264 VanDerWaalsContact O-CG 3.27Å; L260-L264 WeakPolarHBondContact O-CG 3.18Å; L260-L264 PolarHBondContact O-N 3.01Å; L261-L264 PolarHBondContact O-N 2.88Å; A262-L264 PolarHBondContact O-N 3.27Å; L264-Q266 VanDerWaalsContact C-N 3.32Å
265	S	96.4	Very high	97.1	Very high	40 Å²	40	45 Å²	45	28%	0.28	28%	0.275	S	S	.	.	H	α-helix	trans	-73	-27.1	177.5	80.7	0	0	0	0	112.7	S14 L261 A262 E263	S14-S265 WeakPolarHBondContact CB-O 3.32Å; L261-S265 WeakPolarHBondContact O-CB 3.07Å; L261-S265 PolarHBondContact O-N 2.69Å; A262-S265 WeakPolarHBondContact O-CB 3.31Å; A262-S265 PolarHBondContact O-N 3.21Å; A262-S265 VanDerWaalsContact O-N 3.14Å; A262-S265 PolarHBondContact O-OG 3.4Å; E263-S265 PolarHBondContact O-N 2.96Å
266	Q	96.6	Very high	97.1	Very high	150 Å²	150	46.4 Å²	46.4	70%	0.701	28%	0.283	S	S	*	.	H	α-helix	trans	-94.7	-18.5	179.7	-64	177.9	9.8	0	0	112.8	A262 E263 L264 H268	A262-Q266 WeakPolarHBondContact O-CG 3.47Å; A262-Q266 PolarHBondContact O-N 3.24Å; E263-Q266 PolarHBondContact O-N 3.01Å; E263-Q266 VanDerWaalsContact O-N 3.15Å; L264-Q266 VanDerWaalsContact C-N 3.32Å; Q266-H268 PolarHBondContact O-CD2 3.48Å; Q266-H268 VanDerWaalsContact O-CD2 3.31Å
267	D	97.3	Very high	97.1	Very high	39 Å²	39	49 Å²	49	21%	0.209	30%	0.299	C	S	.	.			trans	-78.6	136.1	176.1	-174.2	-6.3	0	0	0	111.4	S14 A15 K246 E263 S269	S14-D267 CarbonylContact C-O 3.42Å; S14-D267 WeakPolarHBondContact CA-O 3.44Å; A15-D267 HydrophobicContact CB-CB 3.96Å; A15-D267 PolarHBondContact N-O 3.37Å; K246-D267 WeakPolarHBondContact CE-OD2 3.3Å; K246-D267 IonicContact NZ-OD1 2.72Å; K246-D267 IonicContact NZ-OD2 2.74Å; K246-D267 PolarHBondContact NZ-OD2 2.92Å; E263-D267 WeakPolarHBondContact O-CB 3.45Å; E263-D267 PolarHBondContact O-N 3.4Å; D267-S269 VanDerWaalsContact CG-OG 3.23Å; D267-S269 VanDerWaalsContact OD1-CB 3.28Å; D267-S269 WeakPolarHBondContact OD1-CB 3.48Å; D267-S269 PolarHBondContact OD1-N 2.93Å; D267-S269 PolarHBondContact OD1-OG 3.49Å; D267-S269 PolarHBondContact OD2-OG 3.38Å; D267-S269 VanDerWaalsContact OD2-OG 3.12Å
268	H	96.7	Very high	97.1	Very high	88 Å²	88	53.7 Å²	53.7	41%	0.407	32%	0.316	S	S	.	.			trans	-119.9	10.1	179	-62.9	-75	0	0	0	113.5	M12 Q266	M12-H268 HydrophobicContact CB-CB 4.1Å; M12-H268 HydrophobicContact CE-CB 4.01Å; M12-H268 WeakPolarHBondContact CE-O 3.28Å; M12-H268 PolarHBondContact O-CE1 3.49Å; M12-H268 VanDerWaalsContact O-CE1 3.3Å; M12-H268 PolarHBondContact O-ND1 2.98Å; Q266-H268 PolarHBondContact O-CD2 3.48Å; Q266-H268 VanDerWaalsContact O-CD2 3.31Å
269	S	96.1	Very high	97.2	Very high	50 Å²	50	57.7 Å²	57.7	35%	0.35	33%	0.33	S	S	.	.	S	Bend	trans	-63.5	153.7	171.6	59.6	0	0	0	0	111.4	Q18 K246 D267	Q18-S269 PolarHBondContact NE2-O 3.42Å; Q18-S269 VanDerWaalsContact NE2-O 3.11Å; K246-S269 PolarHBondContact NZ-OG 3Å; D267-S269 VanDerWaalsContact CG-OG 3.23Å; D267-S269 VanDerWaalsContact OD1-CB 3.28Å; D267-S269 WeakPolarHBondContact OD1-CB 3.48Å; D267-S269 PolarHBondContact OD1-N 2.93Å; D267-S269 PolarHBondContact OD1-OG 3.49Å; D267-S269 PolarHBondContact OD2-OG 3.38Å; D267-S269 VanDerWaalsContact OD2-OG 3.12Å
270	A	96.3	Very high	97.2	Very high	80 Å²	80	55.6 Å²	55.6	66%	0.661	31%	0.308	S	S	*	.			trans	-69	135.2	-179	0	0	0	0	0	111.1
271	V	97.8	Very high	97.1	Very high	16 Å²	16	61.8 Å²	61.8	10%	0.097	34%	0.335	C	S	.	.			trans	-106.9	128.4	170.1	-175.8	0	0	0	0	108.5	A15 Q18 L19 L22 K246 A249	A15-V271 HydrophobicContact CB-CG2 3.76Å; Q18-V271 HydrophobicContact CB-CB 3.95Å; Q18-V271 HydrophobicContact CB-CG2 4.13Å; L19-V271 HydrophobicContact CD1-CG1 4.44Å; L22-V271 HydrophobicContact CD1-CG1 4.16Å; K246-V271 HydrophobicContact CD-CG2 4.36Å; K246-V271 HydrophobicContact CG-CG2 4.16Å; A249-V271 HydrophobicContact CB-CG1 3.6Å
272	T	96.4	Very high	97.1	Very high	88 Å²	88	65.8 Å²	65.8	54%	0.54	37%	0.368	S	S	.	.			trans	-118.4	152.8	-178.2	61.9	0	0	0	0	110.6	A249 M274	A249-T272 WeakPolarHBondContact CB-O 3.14Å; T272-M274 PolarHBondContact O-N 3.48Å; T272-M274 VanDerWaalsContact O-N 3.1Å
273	A	97.3	Very high	97	Very high	39 Å²	39	66.2 Å²	66.2	32%	0.322	37%	0.369	S	S	.	.			trans	-70.7	104.7	178.3	0	0	0	0	0	110.7	L22 T276 K279	L22-A273 HydrophobicContact CD1-CB 4.34Å; L22-A273 HydrophobicContact CD2-CB 4.14Å; A273-T276 HydrophobicContact CB-CG2 4.18Å; A273-K279 PolarHBondContact O-NZ 3.27Å
274	M	97.8	Very high	96.9	Very high	82 Å²	82	69 Å²	69	40%	0.404	39%	0.387	S	S	.	.			trans	-82.7	-42.9	177.5	-62.2	-58.3	-128.4	0	0	110.7	K246 A247 A249 T272 K279	K246-M274 WeakPolarHBondContact O-CG 3.34Å; A247-M274 WeakPolarHBondContact O-CB 3.42Å; A247-M274 WeakPolarHBondContact O-CG 3.29Å; A249-M274 PolarHBondContact O-N 2.93Å; T272-M274 PolarHBondContact O-N 3.48Å; T272-M274 VanDerWaalsContact O-N 3.1Å; M274-K279 PolarHBondContact O-NZ 3.03Å
275	L	98.3	Very high	96.8	Very high	8 Å²	8	70.9 Å²	70.9	4%	0.042	40%	0.397	C	S	.	.			trans	-106.6	133.2	-179.8	-56.4	178.6	0	0	0	110.6	T219 Y222 L248 A249 G250 C251	T219-L275 HydrophobicContact CG2-CD2 3.75Å; Y222-L275 HydrophobicContact CD1-CB 3.98Å; Y222-L275 HydrophobicContact CD1-CD1 4.31Å; Y222-L275 HydrophobicContact CD1-CD2 4.35Å; Y222-L275 HydrophobicContact CD1-CG 4.45Å; Y222-L275 HydrophobicContact CD2-CD1 4.31Å; Y222-L275 HydrophobicContact CE1-CB 3.82Å; Y222-L275 HydrophobicContact CG-CB 4.45Å; Y222-L275 HydrophobicContact CG-CD1 4.03Å; L248-L275 HydrophobicContact CB-CD1 4.42Å; L248-L275 HydrophobicContact CD2-CD1 3.95Å; A249-L275 PolarHBondContact O-N 3.13Å; A249-L275 VanDerWaalsContact O-N 3.07Å; G250-L275 WeakPolarHBondContact CA-O 3.23Å; C251-L275 HydrophobicContact CB-CD1 3.87Å
276	T	98.3	Very high	96.8	Very high	33 Å²	33	76.7 Å²	76.7	20%	0.202	42%	0.42	C	S	.	.			trans	-150.4	144.9	178.6	61.1	0	0	0	0	109.7	A273 E278 K279 S280	A273-T276 HydrophobicContact CB-CG2 4.18Å; T276-E278 PolarHBondContact O-N 3.17Å; T276-K279 PolarHBondContact O-N 3.34Å; T276-K279 VanDerWaalsContact OG1-CB 3.28Å; T276-K279 WeakPolarHBondContact OG1-CB 3.47Å; T276-K279 WeakPolarHBondContact OG1-CD 3.48Å; T276-K279 WeakPolarHBondContact OG1-CG 3.39Å; T276-K279 PolarHBondContact OG1-N 3.43Å; T276-S280 PolarHBondContact O-N 3.48Å; T276-S280 PolarHBondContact O-OG 2.75Å
277	V	97.6	Very high	96.9	Very high	54 Å²	54	75.2 Å²	75.2	33%	0.327	41%	0.411	S	S	.	.	H	α-helix	trans	-57.4	-37.8	178	176.5	0	0	0	0	111.9	K226 S280 K281	K226-V277 HydrophobicContact CD-CG2 4.36Å; K226-V277 HydrophobicContact CG-CG2 4.27Å; V277-S280 PolarHBondContact O-N 3.5Å; V277-K281 HydrophobicContact CG1-CD 4.32Å; V277-K281 WeakPolarHBondContact O-CG 3.08Å; V277-K281 PolarHBondContact O-N 2.9Å
278	E	97.5	Very high	96.9	Very high	143 Å²	143	76.4 Å²	76.4	67%	0.668	42%	0.417	S	S	*	.	H	α-helix	trans	-61.4	-51.1	179.4	-65.1	71.9	-157.2	0	0	111.4	T276 S280 K281 A282	T276-E278 PolarHBondContact O-N 3.17Å; E278-S280 VanDerWaalsContact C-N 3.31Å; E278-S280 PolarHBondContact O-N 2.84Å; E278-K281 PolarHBondContact O-N 3.48Å; E278-A282 PolarHBondContact O-N 2.88Å
279	K	96.6	Very high	97	Very high	119 Å²	119	78.6 Å²	78.6	52%	0.517	43%	0.427	S	S	.	.	H	α-helix	trans	-59.8	-42.5	175.4	-71	175.1	-173.1	173.2	0	111.4	A273 M274 T276 K281 A282 C283	A273-K279 PolarHBondContact O-NZ 3.27Å; M274-K279 PolarHBondContact O-NZ 3.03Å; T276-K279 PolarHBondContact O-N 3.34Å; T276-K279 VanDerWaalsContact OG1-CB 3.28Å; T276-K279 WeakPolarHBondContact OG1-CB 3.47Å; T276-K279 WeakPolarHBondContact OG1-CD 3.48Å; T276-K279 WeakPolarHBondContact OG1-CG 3.39Å; T276-K279 PolarHBondContact OG1-N 3.43Å; K279-K281 VanDerWaalsContact C-N 3.35Å; K279-K281 PolarHBondContact O-N 3.21Å; K279-A282 PolarHBondContact O-N 2.81Å; K279-A282 VanDerWaalsContact O-N 3.11Å; K279-C283 PolarHBondContact O-N 2.75Å; K279-C283 PolarHBondContact O-SG 3.5Å; K279-C283 VanDerWaalsContact O-SG 3.36Å
280	S	97.1	Very high	97.1	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-61.2	-41.5	179.9	-56.1	0	0	0	0	112.7	Y222 N223 K227 T276 V277 E278 A282 C283	Y222-S280 WeakPolarHBondContact CE1-OG 3.43Å; N223-S280 WeakPolarHBondContact OD1-CB 3.28Å; N223-S280 PolarHBondContact OD1-OG 3.37Å; K227-S280 WeakPolarHBondContact CB-O 3.18Å; T276-S280 PolarHBondContact O-N 3.48Å; T276-S280 PolarHBondContact O-OG 2.75Å; V277-S280 PolarHBondContact O-N 3.5Å; E278-S280 VanDerWaalsContact C-N 3.31Å; E278-S280 PolarHBondContact O-N 2.84Å; S280-A282 PolarHBondContact O-N 3.09Å; S280-C283 WeakPolarHBondContact O-CB 3.49Å; S280-C283 PolarHBondContact O-N 3.37Å; S280-C283 VanDerWaalsContact O-N 3.16Å
281	K	96.3	Very high	97.2	Very high	140 Å²	140	76.1 Å²	76.1	61%	0.609	40%	0.398	S	S	*	.	H	α-helix	trans	-63.3	-26.7	176.4	-74.5	178	178.7	176.8	0	113.1	V277 E278 K279	V277-K281 HydrophobicContact CG1-CD 4.32Å; V277-K281 WeakPolarHBondContact O-CG 3.08Å; V277-K281 PolarHBondContact O-N 2.9Å; E278-K281 PolarHBondContact O-N 3.48Å; K279-K281 VanDerWaalsContact C-N 3.35Å; K279-K281 PolarHBondContact O-N 3.21Å
282	A	96.3	Very high	97.2	Very high	86 Å²	86	79.3 Å²	79.3	71%	0.711	41%	0.413	S	S	*	.	H	α-helix	trans	-86.6	-9.3	178.1	0	0	0	0	0	113.8	E278 K279 S280	E278-A282 PolarHBondContact O-N 2.88Å; K279-A282 PolarHBondContact O-N 2.81Å; K279-A282 VanDerWaalsContact O-N 3.11Å; S280-A282 PolarHBondContact O-N 3.09Å
283	C	95.4	Very high	97.3	Very high	34 Å²	34	82.9 Å²	82.9	23%	0.23	42%	0.42	C	S	.	.	S	Bend	trans	-65.3	141.5	179.3	-68.3	0	0	0	0	111.6	K227 K279 S280 L285	K227-C283 WeakPolarHBondContact CD-O 3.44Å; K227-C283 WeakPolarHBondContact CE-O 3.41Å; K227-C283 PolarHBondContact NZ-O 3.46Å; K279-C283 PolarHBondContact O-N 2.75Å; K279-C283 PolarHBondContact O-SG 3.5Å; K279-C283 VanDerWaalsContact O-SG 3.36Å; S280-C283 WeakPolarHBondContact O-CB 3.49Å; S280-C283 PolarHBondContact O-N 3.37Å; S280-C283 VanDerWaalsContact O-N 3.16Å; C283-L285 HydrophobicContact CB-CD1 4.07Å; C283-L285 HydrophobicContact CB-CG 4.09Å; C283-L285 PolarHBondContact O-N 2.98Å; C283-L285 VanDerWaalsContact O-N 3.13Å
284	D	95.4	Very high	97.4	Very high	158 Å²	158	82.4 Å²	82.4	85%	0.845	42%	0.416	S	S	*	.			trans	-83.6	85.4	172.2	-167.4	20.7	0	0	0	110.5
285	L	95.4	Very high	97.4	Very high	42 Å²	42	78.8 Å²	78.8	22%	0.22	40%	0.398	C	S	.	.			trans	-128.4	144	177.3	-61.7	171.3	0	0	0	109.1	N223 K227 F228 C283	N223-L285 HydrophobicContact CB-CD1 4.06Å; K227-L285 HydrophobicContact CD-CB 4Å; K227-L285 WeakPolarHBondContact CE-O 3.08Å; K227-L285 PolarHBondContact NZ-O 2.89Å; F228-L285 HydrophobicContact CE2-CB 4.27Å; F228-L285 VanDerWaalsContact CZ-O 3.3Å; F228-L285 WeakPolarHBondContact CZ-O 3.36Å; C283-L285 HydrophobicContact CB-CD1 4.07Å; C283-L285 HydrophobicContact CB-CG 4.09Å; C283-L285 PolarHBondContact O-N 2.98Å; C283-L285 VanDerWaalsContact O-N 3.13Å
286	E	96.6	Very high	97.5	Very high	161 Å²	161	83.4 Å²	83.4	75%	0.752	42%	0.415	S	S	*	.			trans	-102.3	145.7	173.1	-65.3	-172.3	164.5	0	0	110.8	Y224 F228	Y224-E286 WeakPolarHBondContact CE2-O 3.42Å; F228-E286 VanDerWaalsContact CZ-C 3.43Å
287	K	97.9	Very high	97.5	Very high	120 Å²	120	89.7 Å²	89.7	52%	0.522	44%	0.436	S	S	.	.			trans	-80.2	126.2	177.4	-164.5	175.5	-176.1	175.9	0	108.4	F228 Y230	F228-K287 HydrophobicContact CB-CD 4.34Å; F228-K287 HydrophobicContact CD1-CB 3.9Å; F228-K287 HydrophobicContact CD1-CD 4.06Å; F228-K287 HydrophobicContact CD1-CG 4.16Å; F228-K287 HydrophobicContact CD2-CB 4.23Å; F228-K287 HydrophobicContact CD2-CG 4.24Å; F228-K287 HydrophobicContact CE1-CB 3.67Å; F228-K287 HydrophobicContact CE1-CG 4.42Å; F228-K287 HydrophobicContact CE2-CB 4Å; F228-K287 HydrophobicContact CE2-CG 4.48Å; F228-K287 HydrophobicContact CG-CB 4.18Å; F228-K287 HydrophobicContact CG-CD 4.15Å; F228-K287 HydrophobicContact CG-CG 4.07Å; F228-K287 HydrophobicContact CZ-CB 3.71Å; Y230-K287 WeakPolarHBondContact OH-CE 3.46Å
288	I	98	Very high	97.5	Very high	63 Å²	63	91.7 Å²	91.7	32%	0.323	44%	0.441	S	S	.	.			trans	-116.1	158.7	177.4	69.2	174.7	0	0	0	110.3	F173 V177 Y224 L290	F173-I288 HydrophobicContact CD1-CD1 4.4Å; F173-I288 HydrophobicContact CE1-CD1 3.99Å; V177-I288 HydrophobicContact CG1-CG1 3.99Å; V177-I288 HydrophobicContact CG2-CD1 4.03Å; V177-I288 HydrophobicContact CG2-CG1 3.95Å; Y224-I288 PolarHBondContact OH-N 3.48Å; Y224-I288 PolarHBondContact OH-O 3.27Å; Y224-I288 VanDerWaalsContact OH-O 3.14Å; I288-L290 HydrophobicContact CD1-CD2 4.48Å
289	H	97.8	Very high	97.6	Very high	135 Å²	135	85.9 Å²	85.9	63%	0.625	41%	0.414	S	S	*	.			trans	-123.3	139.7	174.2	174.1	56.6	0	0	0	109.8	E181	E181-H289 VanDerWaalsContact OE1-CA 3.26Å; E181-H289 WeakPolarHBondContact OE1-CA 3.22Å; E181-H289 IonicContact OE1-CG 2.82Å; E181-H289 IonicContact OE1-ND1 3.75Å; E181-H289 PolarHBondContact OE1-ND1 3.35Å; E181-H289 IonicContact OE2-CE1 3.67Å; E181-H289 PolarHBondContact OE2-CE1 3.45Å; E181-H289 IonicContact OE2-CG 3.26Å; E181-H289 IonicContact OE2-ND1 2.67Å; E181-H289 PolarHBondContact OE2-ND1 3.01Å
290	L	98.1	Very high	97.7	Very high	11 Å²	11	85.3 Å²	85.3	6%	0.058	42%	0.417	C	S	.	.			trans	-124.2	111.1	-179.9	-60.2	176.1	0	0	0	110.4	A174 V177 E181 I288 A294 F295 E298	A174-L290 HydrophobicContact CB-CD1 3.99Å; A174-L290 WeakPolarHBondContact O-CD1 3.4Å; V177-L290 HydrophobicContact CB-CD1 3.89Å; V177-L290 HydrophobicContact CG1-CD1 3.99Å; V177-L290 HydrophobicContact CG1-CG 4.07Å; E181-L290 PolarHBondContact OE2-N 2.82Å; I288-L290 HydrophobicContact CD1-CD2 4.48Å; L290-A294 HydrophobicContact CB-CB 4.46Å; L290-A294 HydrophobicContact CD2-CB 3.78Å; L290-F295 HydrophobicContact CB-CB 4.27Å; L290-E298 HydrophobicContact CD2-CG 3.99Å
291	D	98.6	Very high	97.8	Very high	66 Å²	66	92 Å²	92	35%	0.353	45%	0.448	S	S	.	.			trans	-75.4	178.5	157.7	68.1	7.7	0	0	0	110.3	K293 A294 F295	D291-K293 VanDerWaalsContact C-N 3.35Å; D291-K293 PolarHBondContact O-N 3.04Å; D291-K293 WeakPolarHBondContact OD1-CG 3.46Å; D291-K293 PolarHBondContact OD1-N 3Å; D291-K293 WeakPolarHBondContact OD2-CE 3.42Å; D291-K293 IonicContact OD2-NZ 3.93Å; D291-A294 PolarHBondContact O-N 3.23Å; D291-A294 WeakPolarHBondContact OD1-CB 3.37Å; D291-A294 PolarHBondContact OD1-N 3.12Å; D291-F295 WeakPolarHBondContact O-CB 3.3Å; D291-F295 PolarHBondContact O-N 3.31Å
292	E	98.8	Very high	97.9	Very high	84 Å²	84	87.6 Å²	87.6	39%	0.393	43%	0.431	S	S	.	.	H	α-helix	trans	-58.6	-44.8	-175.2	-177.1	168	164.8	0	0	112.9	W148 F295 R296	W148-E292 VanDerWaalsContact CD1-CD 3.49Å; W148-E292 HydrophobicContact CD2-CB 4.26Å; W148-E292 HydrophobicContact CD2-CG 3.96Å; W148-E292 HydrophobicContact CG-CG 4.12Å; W148-E292 HydrophobicContact CH2-CB 4.01Å; W148-E292 HydrophobicContact CZ2-CB 3.41Å; W148-E292 VanDerWaalsContact CZ2-CB 3.41Å; W148-E292 HydrophobicContact CZ2-CG 3.98Å; W148-E292 PolarHBondContact NE1-OE2 3.27Å; E292-F295 PolarHBondContact O-N 3.19Å; E292-R296 HydrophobicContact CG-CG 4.39Å; E292-R296 WeakPolarHBondContact O-CB 3.3Å; E292-R296 VanDerWaalsContact O-CG 3.3Å; E292-R296 WeakPolarHBondContact O-CG 3.15Å; E292-R296 PolarHBondContact O-N 3.2Å; E292-R296 IonicContact OE1-CZ 2.86Å; E292-R296 IonicContact OE1-NE 3.1Å; E292-R296 PolarHBondContact OE1-NE 2.78Å; E292-R296 IonicContact OE1-NH2 3.96Å; E292-R296 PolarHBondContact OE1-NH2 3.21Å
293	K	98.7	Very high	98	Very high	162 Å²	162	90.2 Å²	90.2	70%	0.704	42%	0.423	S	S	*	.	H	α-helix	trans	-66.4	-41.3	-178.6	58.8	174	177.6	178.7	0	111	D291 R296 W297	D291-K293 VanDerWaalsContact C-N 3.35Å; D291-K293 PolarHBondContact O-N 3.04Å; D291-K293 WeakPolarHBondContact OD1-CG 3.46Å; D291-K293 PolarHBondContact OD1-N 3Å; D291-K293 WeakPolarHBondContact OD2-CE 3.42Å; D291-K293 IonicContact OD2-NZ 3.93Å; K293-R296 PolarHBondContact O-N 2.93Å; K293-W297 WeakPolarHBondContact O-CB 3.35Å; K293-W297 PolarHBondContact O-N 2.88Å
294	A	98.8	Very high	98.2	Very high	29 Å²	29	89.2 Å²	89.2	24%	0.24	42%	0.415	C	S	.	.	H	α-helix	trans	-67.4	-43.5	177.6	0	0	0	0	0	110.6	L290 D291 R296 W297 E298	L290-A294 HydrophobicContact CB-CB 4.46Å; L290-A294 HydrophobicContact CD2-CB 3.78Å; D291-A294 PolarHBondContact O-N 3.23Å; D291-A294 WeakPolarHBondContact OD1-CB 3.37Å; D291-A294 PolarHBondContact OD1-N 3.12Å; A294-R296 PolarHBondContact O-N 3.02Å; A294-W297 PolarHBondContact O-N 3.03Å; A294-E298 WeakPolarHBondContact O-CB 3.47Å; A294-E298 VanDerWaalsContact O-CG 3.28Å; A294-E298 WeakPolarHBondContact O-CG 3.26Å; A294-E298 PolarHBondContact O-N 2.66Å
295	F	98.9	Very high	98.3	Very high	6 Å²	6	81.7 Å²	81.7	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-56.4	-51.4	173.1	167.9	-95	0	0	0	111.5	W148 I151 A174 Q175 A178 L290 D291 E292 W297 E298 H299	W148-F295 HydrophobicContact CB-CD1 3.89Å; W148-F295 HydrophobicContact CB-CE1 3.63Å; W148-F295 HydrophobicContact CD2-CD1 4.08Å; W148-F295 HydrophobicContact CE3-CB 3.73Å; W148-F295 AromaticContact CE3-CD1 3.45Å; W148-F295 HydrophobicContact CE3-CD1 3.45Å; W148-F295 VanDerWaalsContact CE3-CD1 3.45Å; W148-F295 HydrophobicContact CE3-CD2 4.2Å; W148-F295 HydrophobicContact CE3-CE1 4.14Å; W148-F295 AromaticContact CE3-CG 3.49Å; W148-F295 HydrophobicContact CE3-CG 3.49Å; W148-F295 VanDerWaalsContact CE3-CG 3.49Å; W148-F295 HydrophobicContact CG-CD1 4.29Å; W148-F295 HydrophobicContact CG-CE1 4.49Å; W148-F295 HydrophobicContact CZ3-CB 3.67Å; W148-F295 HydrophobicContact CZ3-CD1 4.29Å; W148-F295 AromaticContact CZ3-CG 3.9Å; W148-F295 HydrophobicContact CZ3-CG 3.9Å; I151-F295 HydrophobicContact CD1-CE2 4.17Å; I151-F295 HydrophobicContact CD1-CZ 4.44Å; A174-F295 HydrophobicContact CB-CD2 4.2Å; A174-F295 HydrophobicContact CB-CE2 4.44Å; Q175-F295 HydrophobicContact CB-CE2 4.39Å; Q175-F295 HydrophobicContact CG-CE2 3.84Å; Q175-F295 HydrophobicContact CG-CZ 4.09Å; A178-F295 HydrophobicContact CB-CD2 3.88Å; A178-F295 HydrophobicContact CB-CE2 4.31Å; L290-F295 HydrophobicContact CB-CB 4.27Å; D291-F295 WeakPolarHBondContact O-CB 3.3Å; D291-F295 PolarHBondContact O-N 3.31Å; E292-F295 PolarHBondContact O-N 3.19Å; F295-W297 VanDerWaalsContact C-N 3.29Å; F295-W297 PolarHBondContact O-N 3.47Å; F295-E298 PolarHBondContact O-N 2.93Å; F295-H299 HydrophobicContact CE2-CB 4.49Å; F295-H299 HydrophobicContact CZ-CB 4.38Å; F295-H299 WeakPolarHBondContact O-CB 3.4Å; F295-H299 PolarHBondContact O-N 3.44Å
296	R	98.8	Very high	98.5	Very high	106 Å²	106	81.9 Å²	81.9	40%	0.4	38%	0.377	S	S	.	.	H	α-helix	trans	-61.7	-39.6	-178.4	-72.9	-177.4	-172.2	-72.3	0.7	111.3	E149 E292 K293 A294 N300	E149-R296 IonicContact OE1-CZ 3.87Å; E149-R296 IonicContact OE1-NH1 3.22Å; E149-R296 IonicContact OE1-NH2 3.44Å; E149-R296 PolarHBondContact OE1-NH2 2.81Å; E292-R296 HydrophobicContact CG-CG 4.39Å; E292-R296 WeakPolarHBondContact O-CB 3.3Å; E292-R296 VanDerWaalsContact O-CG 3.3Å; E292-R296 WeakPolarHBondContact O-CG 3.15Å; E292-R296 PolarHBondContact O-N 3.2Å; E292-R296 IonicContact OE1-CZ 2.86Å; E292-R296 IonicContact OE1-NE 3.1Å; E292-R296 PolarHBondContact OE1-NE 2.78Å; E292-R296 IonicContact OE1-NH2 3.96Å; E292-R296 PolarHBondContact OE1-NH2 3.21Å; K293-R296 PolarHBondContact O-N 2.93Å; A294-R296 PolarHBondContact O-N 3.02Å; R296-N300 WeakPolarHBondContact O-CB 3.15Å; R296-N300 PolarHBondContact O-N 3.03Å
297	W	98.8	Very high	98.6	Very high	165 Å²	165	77.4 Å²	77.4	63%	0.625	36%	0.356	S	S	*	.	H	α-helix	trans	-65.6	-58.1	176.2	-179.4	-95.5	0	0	0	112.3	K293 A294 F295 H299 N300 E301	K293-W297 WeakPolarHBondContact O-CB 3.35Å; K293-W297 PolarHBondContact O-N 2.88Å; A294-W297 PolarHBondContact O-N 3.03Å; F295-W297 VanDerWaalsContact C-N 3.29Å; F295-W297 PolarHBondContact O-N 3.47Å; W297-H299 VanDerWaalsContact C-N 3.27Å; W297-H299 PolarHBondContact O-N 2.66Å; W297-N300 WeakPolarHBondContact O-CB 3.23Å; W297-N300 PolarHBondContact O-N 3.08Å; W297-E301 PolarHBondContact O-N 2.9Å; W297-E301 VanDerWaalsContact O-N 3.14Å
298	E	98.7	Very high	98.6	Very high	96 Å²	96	72.6 Å²	72.6	45%	0.449	34%	0.335	S	S	.	.	H	α-helix	trans	-62.7	-33.7	-176.8	-67.1	-63.5	144.1	0	0	112.3	A174 L290 A294 F295	A174-E298 HydrophobicContact CB-CB 3.8Å; L290-E298 HydrophobicContact CD2-CG 3.99Å; A294-E298 WeakPolarHBondContact O-CB 3.47Å; A294-E298 VanDerWaalsContact O-CG 3.28Å; A294-E298 WeakPolarHBondContact O-CG 3.26Å; A294-E298 PolarHBondContact O-N 2.66Å; F295-E298 PolarHBondContact O-N 2.93Å
299	H	98.8	Very high	98.7	Very high	20 Å²	20	70.1 Å²	70.1	9%	0.093	32%	0.323	C	S	.	.	H	α-helix	trans	-67.8	-38.1	172.3	-178.1	64.6	0	0	0	112	S172 A174 F295 W297 D302 V306	S172-H299 PolarHBondContact OG-ND1 3.39Å; A174-H299 HydrophobicContact CB-CB 4.13Å; F295-H299 HydrophobicContact CE2-CB 4.49Å; F295-H299 HydrophobicContact CZ-CB 4.38Å; F295-H299 WeakPolarHBondContact O-CB 3.4Å; F295-H299 PolarHBondContact O-N 3.44Å; W297-H299 VanDerWaalsContact C-N 3.27Å; W297-H299 PolarHBondContact O-N 2.66Å; H299-D302 PolarHBondContact O-N 3.44Å; H299-V306 WeakPolarHBondContact O-CG2 3.5Å
300	N	98.7	Very high	98.7	Very high	108 Å²	108	66 Å²	66	58%	0.578	31%	0.309	S	S	*	.	H	α-helix	trans	-69.9	-33.2	-177.1	-147.8	-76.9	0	0	0	113	R296 W297 D302	R296-N300 WeakPolarHBondContact O-CB 3.15Å; R296-N300 PolarHBondContact O-N 3.03Å; W297-N300 WeakPolarHBondContact O-CB 3.23Å; W297-N300 PolarHBondContact O-N 3.08Å; N300-D302 PolarHBondContact O-N 3.27Å
301	E	98.7	Very high	98.8	Very high	139 Å²	139	67.2 Å²	67.2	65%	0.65	32%	0.316	S	S	*	.	H	α-helix	trans	-62.9	-23.3	174.7	-72.5	-70	94.7	0	0	112.3	W297 R303	W297-E301 PolarHBondContact O-N 2.9Å; W297-E301 VanDerWaalsContact O-N 3.14Å; E301-R303 PolarHBondContact O-N 2.82Å
302	D	98.7	Very high	98.8	Very high	49 Å²	49	64 Å²	64	26%	0.262	30%	0.299	S	S	.	.			trans	-89.6	84	171	-170.2	-23	0	0	0	110.7	H299 N300 M304 A305 V306	H299-D302 PolarHBondContact O-N 3.44Å; N300-D302 PolarHBondContact O-N 3.27Å; D302-M304 PolarHBondContact O-N 3.13Å; D302-M304 VanDerWaalsContact O-N 3.17Å; D302-M304 WeakPolarHBondContact OD1-CB 3.46Å; D302-M304 PolarHBondContact OD1-N 2.7Å; D302-A305 HydrophobicContact CB-CB 3.86Å; D302-A305 VanDerWaalsContact CG-CB 3.41Å; D302-A305 PolarHBondContact O-N 2.74Å; D302-A305 PolarHBondContact OD1-N 3.14Å; D302-V306 WeakPolarHBondContact O-CG2 3.36Å; D302-V306 PolarHBondContact O-N 3.05Å
303	R	98.6	Very high	98.8	Very high	141 Å²	141	60.6 Å²	60.6	53%	0.532	28%	0.283	S	S	.	.	H	α-helix	trans	-51	-40.6	178.6	-178.8	-179.8	168.6	-151.5	-14.9	112.9	W197 E301 V306 E307	W197-R303 HydrophobicContact CZ2-CG 4.07Å; E301-R303 PolarHBondContact O-N 2.82Å; R303-V306 PolarHBondContact O-N 2.83Å; R303-E307 HydrophobicContact CG-CG 4.49Å; R303-E307 IonicContact CZ-OE1 3.32Å; R303-E307 VanDerWaalsContact CZ-OE1 3.32Å; R303-E307 IonicContact NE-OE1 2.74Å; R303-E307 PolarHBondContact NE-OE1 2.89Å; R303-E307 IonicContact NH2-OE1 2.98Å; R303-E307 PolarHBondContact NH2-OE1 2.72Å; R303-E307 WeakPolarHBondContact O-CG 3.45Å; R303-E307 PolarHBondContact O-N 3.43Å; R303-E307 VanDerWaalsContact O-N 3.07Å
304	M	98.8	Very high	98.8	Very high	12 Å²	12	59.4 Å²	59.4	6%	0.059	27%	0.274	C	S	.	.	H	α-helix	trans	-62.9	-47.1	179.6	175.5	-77.9	-57.7	0	0	110.4	F171 I194 W197 D302 E307 K308	F171-M304 HydrophobicContact CB-CE 4.22Å; F171-M304 HydrophobicContact CB-SD 4.17Å; F171-M304 HydrophobicContact CD1-SD 4.33Å; I194-M304 HydrophobicContact CB-CE 4.38Å; I194-M304 HydrophobicContact CB-SD 4.22Å; I194-M304 HydrophobicContact CD1-CE 3.87Å; I194-M304 HydrophobicContact CD1-SD 4.41Å; I194-M304 HydrophobicContact CG1-CE 3.85Å; I194-M304 HydrophobicContact CG1-SD 3.75Å; I194-M304 HydrophobicContact CG2-CE 3.81Å; I194-M304 HydrophobicContact CG2-SD 4.08Å; W197-M304 HydrophobicContact CB-CG 3.65Å; W197-M304 HydrophobicContact CD2-CB 3.61Å; W197-M304 HydrophobicContact CD2-CG 3.53Å; W197-M304 HydrophobicContact CE3-CB 3.71Å; W197-M304 HydrophobicContact CE3-CG 3.77Å; W197-M304 HydrophobicContact CG-CB 4.05Å; W197-M304 HydrophobicContact CG-CG 3.48Å; W197-M304 VanDerWaalsContact CG-CG 3.48Å; W197-M304 HydrophobicContact CH2-CB 4.37Å; W197-M304 HydrophobicContact CZ2-CB 4.28Å; W197-M304 HydrophobicContact CZ3-CB 4.1Å; D302-M304 PolarHBondContact O-N 3.13Å; D302-M304 VanDerWaalsContact O-N 3.17Å; D302-M304 WeakPolarHBondContact OD1-CB 3.46Å; D302-M304 PolarHBondContact OD1-N 2.7Å; M304-E307 PolarHBondContact O-N 3.28Å; M304-K308 HydrophobicContact CG-CG 4.43Å; M304-K308 WeakPolarHBondContact O-CB 3.43Å; M304-K308 WeakPolarHBondContact O-CG 3.39Å; M304-K308 PolarHBondContact O-N 3.44Å; M304-K308 HydrophobicContact SD-CB 4.43Å; M304-K308 HydrophobicContact SD-CG 4.15Å
305	A	98.9	Very high	98.8	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.8	-41.6	-179.9	0	0	0	0	0	112.5	F171 S172 D302 L309	F171-A305 HydrophobicContact CB-CB 3.62Å; S172-A305 VanDerWaalsContact CB-CB 3.47Å; D302-A305 HydrophobicContact CB-CB 3.86Å; D302-A305 VanDerWaalsContact CG-CB 3.41Å; D302-A305 PolarHBondContact O-N 2.74Å; D302-A305 PolarHBondContact OD1-N 3.14Å; A305-L309 WeakPolarHBondContact O-CB 3.37Å; A305-L309 PolarHBondContact O-N 3.46Å
306	V	98.8	Very high	98.7	Very high	46 Å²	46	62.6 Å²	62.6	28%	0.279	28%	0.283	S	S	.	.	H	α-helix	trans	-57.8	-52.6	175.4	174.1	0	0	0	0	110.6	H299 D302 R303 S310	H299-V306 WeakPolarHBondContact O-CG2 3.5Å; D302-V306 WeakPolarHBondContact O-CG2 3.36Å; D302-V306 PolarHBondContact O-N 3.05Å; R303-V306 PolarHBondContact O-N 2.83Å; V306-S310 VanDerWaalsContact O-CB 3.23Å; V306-S310 WeakPolarHBondContact O-CB 3.24Å; V306-S310 PolarHBondContact O-N 2.95Å; V306-S310 VanDerWaalsContact O-N 3.11Å
307	E	98.8	Very high	98.7	Very high	68 Å²	68	58.3 Å²	58.3	32%	0.318	27%	0.269	S	S	.	.	H	α-helix	trans	-65.3	-46	-176.9	-71.8	-179.3	-168.4	0	0	111.5	W197 R303 M304 S310 D311	W197-E307 PolarHBondContact NE1-OE2 2.86Å; R303-E307 HydrophobicContact CG-CG 4.49Å; R303-E307 IonicContact CZ-OE1 3.32Å; R303-E307 VanDerWaalsContact CZ-OE1 3.32Å; R303-E307 IonicContact NE-OE1 2.74Å; R303-E307 PolarHBondContact NE-OE1 2.89Å; R303-E307 IonicContact NH2-OE1 2.98Å; R303-E307 PolarHBondContact NH2-OE1 2.72Å; R303-E307 WeakPolarHBondContact O-CG 3.45Å; R303-E307 PolarHBondContact O-N 3.43Å; R303-E307 VanDerWaalsContact O-N 3.07Å; M304-E307 PolarHBondContact O-N 3.28Å; E307-S310 PolarHBondContact O-N 2.93Å; E307-D311 WeakPolarHBondContact O-CB 3.2Å; E307-D311 PolarHBondContact O-N 3.34Å
308	K	98.8	Very high	98.7	Very high	18 Å²	18	52.3 Å²	52.3	8%	0.078	26%	0.255	C	S	.	.	H	α-helix	trans	-74.5	-31.7	-177.1	-69	-58.9	-169.9	-164	0	113.4	F171 R193 W197 E200 M304 G312	F171-K308 HydrophobicContact CD1-CB 4Å; F171-K308 HydrophobicContact CD2-CB 4.12Å; F171-K308 HydrophobicContact CE1-CB 3.83Å; F171-K308 VanDerWaalsContact CE2-C 3.46Å; F171-K308 HydrophobicContact CE2-CB 3.97Å; F171-K308 WeakPolarHBondContact CE2-O 3.48Å; F171-K308 HydrophobicContact CG-CB 4.15Å; F171-K308 HydrophobicContact CZ-CB 3.83Å; R193-K308 VanDerWaalsContact O-CE 3.24Å; R193-K308 WeakPolarHBondContact O-CE 3.45Å; W197-K308 HydrophobicContact CB-CD 4.4Å; W197-K308 HydrophobicContact CB-CG 4.24Å; W197-K308 HydrophobicContact CG-CG 4.35Å; E200-K308 IonicContact OE2-NZ 2.82Å; E200-K308 PolarHBondContact OE2-NZ 3.43Å; E200-K308 VanDerWaalsContact OE2-NZ 3.1Å; M304-K308 HydrophobicContact CG-CG 4.43Å; M304-K308 WeakPolarHBondContact O-CB 3.43Å; M304-K308 WeakPolarHBondContact O-CG 3.39Å; M304-K308 PolarHBondContact O-N 3.44Å; M304-K308 HydrophobicContact SD-CB 4.43Å; M304-K308 HydrophobicContact SD-CG 4.15Å; K308-G312 PolarHBondContact O-N 3.25Å
309	L	98.9	Very high	98.7	Very high	12 Å²	12	48.9 Å²	48.9	6%	0.063	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-53	169.8	175.1	60.5	0	0	0	110.2	T147 L169 F171 A305 D311 G312 I313	T147-L309 HydrophobicContact CG2-CD1 4.39Å; T147-L309 HydrophobicContact CG2-CD2 4.26Å; L169-L309 HydrophobicContact CB-CD1 3.8Å; L169-L309 HydrophobicContact CD1-CD1 4.46Å; F171-L309 HydrophobicContact CD2-CB 4.1Å; F171-L309 HydrophobicContact CE2-CB 4.3Å; A305-L309 WeakPolarHBondContact O-CB 3.37Å; A305-L309 PolarHBondContact O-N 3.46Å; L309-D311 PolarHBondContact O-N 2.88Å; L309-G312 PolarHBondContact O-N 3.49Å; L309-I313 HydrophobicContact CD1-CD1 3.9Å; L309-I313 HydrophobicContact CD1-CG1 4.35Å; L309-I313 HydrophobicContact CG-CD1 4.13Å; L309-I313 WeakPolarHBondContact O-CG1 3.2Å; L309-I313 PolarHBondContact O-N 3.38Å
310	S	98.8	Very high	98.6	Very high	47 Å²	47	48.1 Å²	48.1	33%	0.329	24%	0.237	S	C	.	.	H	α-helix	trans	-60	-45.8	-178.7	-167.4	0	0	0	0	112.1	V306 E307 R314	V306-S310 VanDerWaalsContact O-CB 3.23Å; V306-S310 WeakPolarHBondContact O-CB 3.24Å; V306-S310 PolarHBondContact O-N 2.95Å; V306-S310 VanDerWaalsContact O-N 3.11Å; E307-S310 PolarHBondContact O-N 2.93Å; S310-R314 PolarHBondContact O-N 3.42Å; S310-R314 PolarHBondContact O-NH1 2.99Å; S310-R314 PolarHBondContact OG-NH1 2.91Å
311	D	98.7	Very high	98.5	Very high	37 Å²	37	47.2 Å²	47.2	20%	0.198	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-39.5	176.2	-179	62.2	0	0	0	112.7	E307 L309 I313 R314 K315	E307-D311 WeakPolarHBondContact O-CB 3.2Å; E307-D311 PolarHBondContact O-N 3.34Å; L309-D311 PolarHBondContact O-N 2.88Å; D311-I313 PolarHBondContact O-N 3.04Å; D311-R314 VanDerWaalsContact CA-NH2 3.33Å; D311-R314 PolarHBondContact O-N 3.49Å; D311-R314 IonicContact OD1-NH2 3.68Å; D311-K315 WeakPolarHBondContact O-CB 3.44Å; D311-K315 WeakPolarHBondContact O-CG 3.27Å; D311-K315 PolarHBondContact O-N 3.39Å; D311-K315 WeakPolarHBondContact OD1-CE 3.19Å; D311-K315 IonicContact OD1-NZ 3.41Å; D311-K315 WeakPolarHBondContact OD2-CD 2.92Å; D311-K315 WeakPolarHBondContact OD2-CE 3.05Å; D311-K315 IonicContact OD2-NZ 3.2Å; D311-K315 PolarHBondContact OD2-NZ 3.5Å
312	G	98.6	Very high	98.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-46.6	176.5	0	0	0	0	0	112.6	K308 L309 K315 F316	K308-G312 PolarHBondContact O-N 3.25Å; L309-G312 PolarHBondContact O-N 3.49Å; G312-K315 PolarHBondContact O-N 2.95Å; G312-F316 PolarHBondContact O-N 3.06Å
313	I	98.8	Very high	98.5	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.062	21%	0.211	C	C	.	.	H	α-helix	trans	-61	-48.5	176.6	-67.4	166.8	0	0	0	110.4	A110 F114 T147 L169 L309 D311 K315 F316 A317	A110-I313 HydrophobicContact CB-CG2 4.42Å; A110-I313 WeakPolarHBondContact O-CG2 3.49Å; F114-I313 HydrophobicContact CE1-CD1 4.39Å; F114-I313 HydrophobicContact CE2-CD1 4.04Å; F114-I313 HydrophobicContact CE2-CG2 4.32Å; F114-I313 HydrophobicContact CZ-CD1 3.66Å; T147-I313 HydrophobicContact CG2-CD1 3.64Å; L169-I313 HydrophobicContact CD1-CG1 3.8Å; L309-I313 HydrophobicContact CD1-CD1 3.9Å; L309-I313 HydrophobicContact CD1-CG1 4.35Å; L309-I313 HydrophobicContact CG-CD1 4.13Å; L309-I313 WeakPolarHBondContact O-CG1 3.2Å; L309-I313 PolarHBondContact O-N 3.38Å; D311-I313 PolarHBondContact O-N 3.04Å; I313-K315 VanDerWaalsContact C-N 3.32Å; I313-K315 PolarHBondContact O-N 2.88Å; I313-F316 PolarHBondContact O-N 2.85Å; I313-A317 WeakPolarHBondContact O-CB 3.46Å; I313-A317 PolarHBondContact O-N 3.07Å
314	R	98.8	Very high	98.4	Very high	137 Å²	137	38.2 Å²	38.2	52%	0.517	19%	0.192	S	C	.	.	H	α-helix	trans	-58.7	-41.9	178.3	-75.5	-169.4	-63.4	-83.7	-1.8	112.6	S310 D311 A317 A318	S310-R314 PolarHBondContact O-N 3.42Å; S310-R314 PolarHBondContact O-NH1 2.99Å; S310-R314 PolarHBondContact OG-NH1 2.91Å; D311-R314 VanDerWaalsContact CA-NH2 3.33Å; D311-R314 PolarHBondContact O-N 3.49Å; D311-R314 IonicContact OD1-NH2 3.68Å; R314-A317 PolarHBondContact O-N 3.26Å; R314-A318 WeakPolarHBondContact O-CB 3.28Å; R314-A318 PolarHBondContact O-N 3.33Å
315	K	98.6	Very high	98.3	Very high	101 Å²	101	40.4 Å²	40.4	44%	0.439	21%	0.212	S	C	.	.	H	α-helix	trans	-65.1	-45.7	179.1	-77.3	173.6	174.4	166.6	0	111.8	D311 G312 I313 A318 D319	D311-K315 WeakPolarHBondContact O-CB 3.44Å; D311-K315 WeakPolarHBondContact O-CG 3.27Å; D311-K315 PolarHBondContact O-N 3.39Å; D311-K315 WeakPolarHBondContact OD1-CE 3.19Å; D311-K315 IonicContact OD1-NZ 3.41Å; D311-K315 WeakPolarHBondContact OD2-CD 2.92Å; D311-K315 WeakPolarHBondContact OD2-CE 3.05Å; D311-K315 IonicContact OD2-NZ 3.2Å; D311-K315 PolarHBondContact OD2-NZ 3.5Å; G312-K315 PolarHBondContact O-N 2.95Å; I313-K315 VanDerWaalsContact C-N 3.32Å; I313-K315 PolarHBondContact O-N 2.88Å; K315-A318 PolarHBondContact O-N 3.01Å; K315-D319 PolarHBondContact O-N 3.11Å
316	F	98.4	Very high	98.2	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-39.4	176.9	-72.1	-29.4	0	0	0	112.8	N46 P47 E107 A110 L169 G312 I313 D319 A320	N46-F316 HydrophobicContact CB-CE1 4.04Å; N46-F316 HydrophobicContact CB-CZ 4.05Å; P47-F316 HydrophobicContact CB-CB 4.29Å; P47-F316 HydrophobicContact CB-CD1 4.34Å; P47-F316 HydrophobicContact CG-CB 4.03Å; P47-F316 HydrophobicContact CG-CD1 4.36Å; P47-F316 HydrophobicContact CG-CG 4.24Å; E107-F316 WeakPolarHBondContact OE1-CD2 3.31Å; E107-F316 WeakPolarHBondContact OE1-CE2 3.48Å; A110-F316 HydrophobicContact CB-CB 3.58Å; L169-F316 HydrophobicContact CD1-CD2 3.93Å; L169-F316 HydrophobicContact CD1-CE2 3.98Å; L169-F316 HydrophobicContact CD2-CD2 4.45Å; L169-F316 HydrophobicContact CD2-CE2 3.78Å; L169-F316 HydrophobicContact CD2-CZ 4.48Å; L169-F316 HydrophobicContact CG-CD2 4.39Å; L169-F316 HydrophobicContact CG-CE2 3.92Å; G312-F316 PolarHBondContact O-N 3.06Å; I313-F316 PolarHBondContact O-N 2.85Å; F316-D319 PolarHBondContact O-N 3.02Å; F316-A320 PolarHBondContact O-N 2.76Å
317	A	98.5	Very high	98	Very high	15 Å²	15	39.6 Å²	39.6	12%	0.124	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-43.2	172.4	0	0	0	0	0	111.8	R111 I313 R314 D319 A320 I321	R111-A317 HydrophobicContact CG-CB 3.73Å; I313-A317 WeakPolarHBondContact O-CB 3.46Å; I313-A317 PolarHBondContact O-N 3.07Å; R314-A317 PolarHBondContact O-N 3.26Å; A317-D319 VanDerWaalsContact C-N 3.3Å; A317-D319 PolarHBondContact O-N 3.32Å; A317-A320 PolarHBondContact O-N 3.1Å; A317-I321 VanDerWaalsContact O-CG1 3.3Å; A317-I321 WeakPolarHBondContact O-CG1 3.37Å; A317-I321 PolarHBondContact O-N 3.35Å
318	A	98.6	Very high	97.9	Very high	40 Å²	40	39.8 Å²	39.8	33%	0.331	21%	0.205	S	C	.	.	H	α-helix	trans	-62.2	-37.3	176.8	0	0	0	0	0	112.3	R314 K315 K322	R314-A318 WeakPolarHBondContact O-CB 3.28Å; R314-A318 PolarHBondContact O-N 3.33Å; K315-A318 PolarHBondContact O-N 3.01Å; A318-K322 VanDerWaalsContact O-CG 3.3Å; A318-K322 WeakPolarHBondContact O-CG 3.36Å; A318-K322 PolarHBondContact O-N 3.47Å; A318-K322 VanDerWaalsContact O-N 3.07Å
319	D	98.1	Very high	97.7	Very high	23 Å²	23	45.6 Å²	45.6	12%	0.123	23%	0.233	C	C	.	.	H	α-helix	trans	-72.7	-36.8	176.4	-70.6	-23.3	0	0	0	112.5	S48 L51 K315 F316 A317 K322 L323	S48-D319 VanDerWaalsContact CB-OD2 3.29Å; S48-D319 WeakPolarHBondContact CB-OD2 3.06Å; S48-D319 PolarHBondContact OG-OD2 3.06Å; L51-D319 HydrophobicContact CD2-CB 3.79Å; K315-D319 PolarHBondContact O-N 3.11Å; F316-D319 PolarHBondContact O-N 3.02Å; A317-D319 VanDerWaalsContact C-N 3.3Å; A317-D319 PolarHBondContact O-N 3.32Å; D319-K322 PolarHBondContact O-N 3.21Å; D319-K322 IonicContact OD1-NZ 2.76Å; D319-K322 PolarHBondContact OD1-NZ 2.95Å; D319-L323 PolarHBondContact O-N 3.25Å
320	A	96.3	Very high	97.4	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.033	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-45.5	171	0	0	0	0	0	111.3	M85 F316 A317 K322 L323 E324	M85-A320 HydrophobicContact CE-CB 4.35Å; F316-A320 PolarHBondContact O-N 2.76Å; A317-A320 PolarHBondContact O-N 3.1Å; A320-K322 VanDerWaalsContact C-N 3.35Å; A320-K322 PolarHBondContact O-N 2.9Å; A320-L323 WeakPolarHBondContact O-CB 3.49Å; A320-L323 PolarHBondContact O-N 3.39Å; A320-L323 VanDerWaalsContact O-N 3.12Å; A320-E324 WeakPolarHBondContact O-CG 3.48Å; A320-E324 PolarHBondContact O-N 2.91Å
321	I	97.9	Very high	97.1	Very high	89 Å²	89	45.9 Å²	45.9	46%	0.456	23%	0.228	S	C	.	.	H	α-helix	trans	-61.4	-41.2	177	-68.8	163.7	0	0	0	111.6	A317 L323 E324 A325	A317-I321 VanDerWaalsContact O-CG1 3.3Å; A317-I321 WeakPolarHBondContact O-CG1 3.37Å; A317-I321 PolarHBondContact O-N 3.35Å; I321-L323 VanDerWaalsContact C-N 3.31Å; I321-L323 PolarHBondContact O-N 3.1Å; I321-E324 PolarHBondContact O-N 3.45Å; I321-A325 PolarHBondContact O-N 3.14Å
322	K	98.4	Very high	96.7	Very high	110 Å²	110	48.2 Å²	48.2	48%	0.478	24%	0.24	S	C	.	.	H	α-helix	trans	-62.8	-39.8	174.8	-70.8	168.7	-160.2	157.6	0	111.7	L51 A318 D319 A320 A325 M326	L51-K322 HydrophobicContact CD1-CB 4.23Å; L51-K322 HydrophobicContact CD2-CB 3.98Å; L51-K322 HydrophobicContact CD2-CD 3.97Å; A318-K322 VanDerWaalsContact O-CG 3.3Å; A318-K322 WeakPolarHBondContact O-CG 3.36Å; A318-K322 PolarHBondContact O-N 3.47Å; A318-K322 VanDerWaalsContact O-N 3.07Å; D319-K322 PolarHBondContact O-N 3.21Å; D319-K322 IonicContact OD1-NZ 2.76Å; D319-K322 PolarHBondContact OD1-NZ 2.95Å; A320-K322 VanDerWaalsContact C-N 3.35Å; A320-K322 PolarHBondContact O-N 2.9Å; K322-A325 PolarHBondContact O-N 2.88Å; K322-M326 PolarHBondContact O-N 2.74Å; K322-M326 VanDerWaalsContact O-N 3.11Å
323	L	97.5	Very high	96.2	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-67.5	-42.1	178.5	-174.4	55.2	0	0	0	111.1	I50 L51 A54 M85 L88 F89 D319 A320 I321 A325 M326 I327	I50-L323 HydrophobicContact CG2-CD2 3.89Å; L51-L323 HydrophobicContact CD1-CB 3.94Å; L51-L323 HydrophobicContact CD1-CD1 4.13Å; A54-L323 HydrophobicContact CB-CD1 3.81Å; M85-L323 HydrophobicContact CE-CB 4.11Å; M85-L323 HydrophobicContact CE-CD2 3.8Å; M85-L323 HydrophobicContact CE-CG 4.05Å; M85-L323 HydrophobicContact SD-CB 4.1Å; M85-L323 HydrophobicContact SD-CD2 3.8Å; M85-L323 HydrophobicContact SD-CG 3.62Å; L88-L323 HydrophobicContact CD2-CD1 4.17Å; L88-L323 HydrophobicContact CD2-CD2 4.18Å; L88-L323 HydrophobicContact CD2-CG 4.46Å; F89-L323 HydrophobicContact CE2-CD2 3.82Å; D319-L323 PolarHBondContact O-N 3.25Å; A320-L323 WeakPolarHBondContact O-CB 3.49Å; A320-L323 PolarHBondContact O-N 3.39Å; A320-L323 VanDerWaalsContact O-N 3.12Å; I321-L323 VanDerWaalsContact C-N 3.31Å; I321-L323 PolarHBondContact O-N 3.1Å; L323-A325 PolarHBondContact O-N 2.95Å; L323-M326 HydrophobicContact CD1-CE 3.5Å; L323-M326 HydrophobicContact CD1-SD 4.43Å; L323-M326 WeakPolarHBondContact O-CB 3.32Å; L323-M326 PolarHBondContact O-N 3.32Å; L323-I327 HydrophobicContact CD1-CD1 4.26Å; L323-I327 HydrophobicContact CG-CD1 3.99Å; L323-I327 WeakPolarHBondContact O-CG1 3.4Å; L323-I327 PolarHBondContact O-N 3.41Å
324	E	97.1	Very high	95.5	Very high	30 Å²	30	52.8 Å²	52.8	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-59.1	-44.7	173.3	-72.9	180	156.4	0	0	112	V81 M85 R111 A320 I321 M326 I327 K328	V81-E324 HydrophobicContact CG1-CB 4.1Å; V81-E324 HydrophobicContact CG1-CG 3.94Å; M85-E324 HydrophobicContact CE-CG 4.04Å; M85-E324 HydrophobicContact CG-CG 3.89Å; M85-E324 HydrophobicContact SD-CG 3.9Å; R111-E324 IonicContact CZ-OE1 3.27Å; R111-E324 IonicContact CZ-OE2 2.61Å; R111-E324 IonicContact NH1-OE1 2.66Å; R111-E324 PolarHBondContact NH1-OE1 2.87Å; R111-E324 IonicContact NH1-OE2 2.75Å; R111-E324 PolarHBondContact NH1-OE2 3.37Å; R111-E324 IonicContact NH2-OE1 2.66Å; R111-E324 PolarHBondContact NH2-OE1 3.14Å; R111-E324 IonicContact NH2-OE2 3.5Å; A320-E324 WeakPolarHBondContact O-CG 3.48Å; A320-E324 PolarHBondContact O-N 2.91Å; I321-E324 PolarHBondContact O-N 3.45Å; E324-M326 VanDerWaalsContact C-N 3.34Å; E324-M326 PolarHBondContact O-N 2.97Å; E324-I327 PolarHBondContact O-N 3.45Å; E324-K328 WeakPolarHBondContact O-CB 3.34Å; E324-K328 WeakPolarHBondContact O-CG 3.49Å; E324-K328 PolarHBondContact O-N 3.29Å
325	A	97.2	Very high	94.7	Very high	57 Å²	57	50.9 Å²	50.9	47%	0.471	27%	0.265	S	S	.	.	H	α-helix	trans	-60.4	-44.7	177.5	0	0	0	0	0	111.7	I321 K322 L323 I327 K328 E329	I321-A325 PolarHBondContact O-N 3.14Å; K322-A325 PolarHBondContact O-N 2.88Å; L323-A325 PolarHBondContact O-N 2.95Å; A325-I327 VanDerWaalsContact C-N 3.33Å; A325-I327 PolarHBondContact O-N 2.95Å; A325-K328 PolarHBondContact O-N 3.48Å; A325-E329 PolarHBondContact O-N 3.25Å
326	M	96.1	Very high	94	Very high	30 Å²	30	51.6 Å²	51.6	15%	0.148	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-40.7	175.3	-174.9	-164.5	81.7	0	0	112.1	A54 K55 V63 K322 L323 E324 K330	A54-M326 HydrophobicContact CB-CE 4Å; K55-M326 HydrophobicContact CG-SD 4.02Å; V63-M326 HydrophobicContact CG1-CE 4.28Å; K322-M326 PolarHBondContact O-N 2.74Å; K322-M326 VanDerWaalsContact O-N 3.11Å; L323-M326 HydrophobicContact CD1-CE 3.5Å; L323-M326 HydrophobicContact CD1-SD 4.43Å; L323-M326 WeakPolarHBondContact O-CB 3.32Å; L323-M326 PolarHBondContact O-N 3.32Å; E324-M326 VanDerWaalsContact C-N 3.34Å; E324-M326 PolarHBondContact O-N 2.97Å; M326-K330 PolarHBondContact O-N 3.24Å
327	I	95.7	Very high	92.6	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-45.6	177.1	-78.2	160.7	0	0	0	110.9	I67 V81 T84 M85 L88 L323 E324 A325 E329 K330 M331	I67-I327 HydrophobicContact CG1-CG2 4.33Å; V81-I327 HydrophobicContact CG1-CG2 4.45Å; T84-I327 HydrophobicContact CG2-CD1 3.99Å; T84-I327 HydrophobicContact CG2-CG1 4.18Å; T84-I327 HydrophobicContact CG2-CG2 3.56Å; M85-I327 HydrophobicContact CG-CD1 4.04Å; M85-I327 HydrophobicContact SD-CD1 3.32Å; M85-I327 WeakPolarHBondContact SD-CD1 3.46Å; L88-I327 HydrophobicContact CD2-CD1 4.1Å; L323-I327 HydrophobicContact CD1-CD1 4.26Å; L323-I327 HydrophobicContact CG-CD1 3.99Å; L323-I327 WeakPolarHBondContact O-CG1 3.4Å; L323-I327 PolarHBondContact O-N 3.41Å; E324-I327 PolarHBondContact O-N 3.45Å; A325-I327 VanDerWaalsContact C-N 3.33Å; A325-I327 PolarHBondContact O-N 2.95Å; I327-E329 VanDerWaalsContact C-N 3.33Å; I327-E329 PolarHBondContact O-N 3.33Å; I327-K330 PolarHBondContact O-N 3.25Å; I327-M331 HydrophobicContact CG2-CG 4.04Å; I327-M331 HydrophobicContact CG2-SD 3.53Å; I327-M331 VanDerWaalsContact CG2-SD 3.53Å; I327-M331 WeakPolarHBondContact O-CB 3.32Å; I327-M331 VanDerWaalsContact O-CG 3.26Å; I327-M331 WeakPolarHBondContact O-CG 3.34Å; I327-M331 PolarHBondContact O-N 3.17Å
328	K	95.4	Very high	90.4	Very high	71 Å²	71	63.6 Å²	63.6	31%	0.309	35%	0.347	S	S	.	.	H	α-helix	trans	-57.2	-46.6	177.9	-78.1	-179.7	176.7	-169.8	0	111.6	V81 E324 A325 K330 M331 L332	V81-K328 HydrophobicContact CG1-CG 4.41Å; V81-K328 HydrophobicContact CG2-CD 4.34Å; V81-K328 HydrophobicContact CG2-CG 3.52Å; E324-K328 WeakPolarHBondContact O-CB 3.34Å; E324-K328 WeakPolarHBondContact O-CG 3.49Å; E324-K328 PolarHBondContact O-N 3.29Å; A325-K328 PolarHBondContact O-N 3.48Å; K328-K330 PolarHBondContact O-N 3.17Å; K328-M331 PolarHBondContact O-N 2.98Å; K328-L332 WeakPolarHBondContact O-CG 3.38Å; K328-L332 PolarHBondContact O-N 3.43Å
329	E	94.5	Very high	89.9	Confident	141 Å²	141	64.8 Å²	64.8	66%	0.659	35%	0.348	S	S	*	.	H	α-helix	trans	-58	-49.8	177	-173.1	178.8	-177.2	0	0	111.6	A325 I327 M331 L332 S333	A325-E329 PolarHBondContact O-N 3.25Å; I327-E329 VanDerWaalsContact C-N 3.33Å; I327-E329 PolarHBondContact O-N 3.33Å; E329-M331 PolarHBondContact O-N 2.74Å; E329-L332 PolarHBondContact O-N 2.67Å; E329-S333 PolarHBondContact O-N 2.69Å; E329-S333 PolarHBondContact O-OG 2.98Å
330	K	93.4	Very high	89.5	Confident	60 Å²	60	66.9 Å²	66.9	26%	0.261	36%	0.359	S	S	.	.	H	α-helix	trans	-65.1	-38.6	177.2	-78.3	176	165.1	-81.8	0	113.2	V63 I67 M326 I327 K328 L332 S333 V334	V63-K330 HydrophobicContact CG1-CD 3.98Å; I67-K330 HydrophobicContact CD1-CB 3.52Å; I67-K330 HydrophobicContact CD1-CD 4.22Å; M326-K330 PolarHBondContact O-N 3.24Å; I327-K330 PolarHBondContact O-N 3.25Å; K328-K330 PolarHBondContact O-N 3.17Å; K330-L332 VanDerWaalsContact C-N 3.29Å; K330-L332 PolarHBondContact O-N 3.2Å; K330-S333 WeakPolarHBondContact O-CB 3.44Å; K330-S333 PolarHBondContact O-N 2.86Å; K330-V334 WeakPolarHBondContact O-CG2 3.34Å; K330-V334 PolarHBondContact O-N 2.72Å
331	M	92.9	Very high	89.1	Confident	4 Å²	4	70.4 Å²	70.4	2%	0.02	38%	0.378	C	S	.	.	H	α-helix	trans	-61.1	-39.5	177.1	-80.6	177.7	70	0	0	111.7	I67 I71 Q80 V81 I327 K328 E329 V334 K335	I67-M331 HydrophobicContact CB-CG 4.3Å; I67-M331 HydrophobicContact CD1-CG 4.3Å; I67-M331 HydrophobicContact CG1-CG 3.9Å; I67-M331 HydrophobicContact CG2-CG 3.68Å; I71-M331 HydrophobicContact CG1-CE 3.9Å; Q80-M331 HydrophobicContact CB-CE 3.57Å; V81-M331 HydrophobicContact CG2-CE 4.27Å; V81-M331 HydrophobicContact CG2-SD 3.71Å; I327-M331 HydrophobicContact CG2-CG 4.04Å; I327-M331 HydrophobicContact CG2-SD 3.53Å; I327-M331 VanDerWaalsContact CG2-SD 3.53Å; I327-M331 WeakPolarHBondContact O-CB 3.32Å; I327-M331 VanDerWaalsContact O-CG 3.26Å; I327-M331 WeakPolarHBondContact O-CG 3.34Å; I327-M331 PolarHBondContact O-N 3.17Å; K328-M331 PolarHBondContact O-N 2.98Å; E329-M331 PolarHBondContact O-N 2.74Å; M331-V334 PolarHBondContact O-N 3.44Å; M331-K335 WeakPolarHBondContact O-CB 3.32Å; M331-K335 WeakPolarHBondContact O-CG 3.38Å; M331-K335 PolarHBondContact O-N 3.2Å
332	L	89.8	Confident	88.6	Confident	87 Å²	87	69.4 Å²	69.4	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-63.2	-44	175.2	-71	168.8	0	0	0	111.3	K328 E329 K330 V334 K335 N336	K328-L332 WeakPolarHBondContact O-CG 3.38Å; K328-L332 PolarHBondContact O-N 3.43Å; E329-L332 PolarHBondContact O-N 2.67Å; K330-L332 VanDerWaalsContact C-N 3.29Å; K330-L332 PolarHBondContact O-N 3.2Å; L332-V334 PolarHBondContact O-N 3.46Å; L332-K335 PolarHBondContact O-N 3.34Å; L332-N336 WeakPolarHBondContact O-CB 3.09Å; L332-N336 PolarHBondContact O-N 2.88Å; L332-N336 PolarHBondContact O-ND2 3.39Å; L332-N336 VanDerWaalsContact O-ND2 3.15Å
333	S	87.3	Confident	88	Confident	44 Å²	44	66.8 Å²	66.8	31%	0.308	37%	0.366	S	S	.	.	H	α-helix	trans	-57.9	-47.7	174.4	-60	0	0	0	0	111.9	E329 K330 K335 N336 G337 Q338	E329-S333 PolarHBondContact O-N 2.69Å; E329-S333 PolarHBondContact O-OG 2.98Å; K330-S333 WeakPolarHBondContact O-CB 3.44Å; K330-S333 PolarHBondContact O-N 2.86Å; S333-K335 PolarHBondContact O-N 2.66Å; S333-N336 CarbonylContact O-C 3.56Å; S333-N336 PolarHBondContact O-N 3.3Å; S333-N336 VanDerWaalsContact O-N 3.15Å; S333-G337 PolarHBondContact O-N 3.37Å; S333-Q338 PolarHBondContact O-N 3.46Å
334	V	85.6	Confident	87.4	Confident	63 Å²	63	71.2 Å²	71.2	38%	0.382	39%	0.39	S	S	.	.	H	α-helix	trans	-62	-44.2	179.2	173.3	0	0	0	0	111.9	I67 I71 K330 M331 L332 N336 G337	I67-V334 HydrophobicContact CG2-CG2 4.25Å; I71-V334 HydrophobicContact CD1-CG1 4.09Å; K330-V334 WeakPolarHBondContact O-CG2 3.34Å; K330-V334 PolarHBondContact O-N 2.72Å; M331-V334 PolarHBondContact O-N 3.44Å; L332-V334 PolarHBondContact O-N 3.46Å; V334-N336 PolarHBondContact O-N 2.9Å; V334-G337 PolarHBondContact O-N 2.88Å; V334-G337 VanDerWaalsContact O-N 3.17Å
335	K	81.5	Confident	86.7	Confident	98 Å²	98	74.1 Å²	74.1	43%	0.426	41%	0.408	S	S	.	.	H	α-helix	trans	-65.1	-29.7	177.8	-74.9	178.7	179.4	178.2	0	112.5	I71 Q80 M331 L332 S333 G337	I71-K335 HydrophobicContact CD1-CG 4.21Å; Q80-K335 VanDerWaalsContact OE1-CE 3.29Å; M331-K335 WeakPolarHBondContact O-CB 3.32Å; M331-K335 WeakPolarHBondContact O-CG 3.38Å; M331-K335 PolarHBondContact O-N 3.2Å; L332-K335 PolarHBondContact O-N 3.34Å; S333-K335 PolarHBondContact O-N 2.66Å; K335-G337 VanDerWaalsContact C-N 3.29Å
336	N	82.6	Confident	85.9	Confident	115 Å²	115	75.5 Å²	75.5	62%	0.615	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	2.8	177.8	-66.5	-22.6	0	0	0	113.5	L332 S333 V334 Q338	L332-N336 WeakPolarHBondContact O-CB 3.09Å; L332-N336 PolarHBondContact O-N 2.88Å; L332-N336 PolarHBondContact O-ND2 3.39Å; L332-N336 VanDerWaalsContact O-ND2 3.15Å; S333-N336 CarbonylContact O-C 3.56Å; S333-N336 PolarHBondContact O-N 3.3Å; S333-N336 VanDerWaalsContact O-N 3.15Å; V334-N336 PolarHBondContact O-N 2.9Å; N336-Q338 VanDerWaalsContact C-N 3.32Å; N336-Q338 HydrophobicContact CB-CG 4.45Å; N336-Q338 PolarHBondContact O-N 2.7Å
337	G	71	Confident	85	Confident	73 Å²	73	79.3 Å²	79.3	75%	0.753	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	23.8	-179.8	0	0	0	0	0	114.3	S333 V334 K335	S333-G337 PolarHBondContact O-N 3.37Å; V334-G337 PolarHBondContact O-N 2.88Å; V334-G337 VanDerWaalsContact O-N 3.17Å; K335-G337 VanDerWaalsContact C-N 3.29Å
338	Q	50.3	Low	84	Confident	195 Å²	195	86.5 Å²	86.5	91%	0.911	46%	0.463	S	S	*	.			trans	-94.4	0	177.7	-67.8	-176.6	-16.2	0	0	112.7	S333 N336	S333-Q338 PolarHBondContact O-N 3.46Å; N336-Q338 VanDerWaalsContact C-N 3.32Å; N336-Q338 HydrophobicContact CB-CG 4.45Å; N336-Q338 PolarHBondContact O-N 2.7Å

Retrieved 338 of 338 residues in 1002.5 ms (Link to these results)

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