A0A087XMX2_POEFO Loading...

protein-histidine N-methyltransferase

AlphaFold DB , UniProt , Accession A0A087XMX2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 588 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	30.8	Very low	254 Å²	254	181 Å²	181	100%	1.251	91%	0.91	S	S	*	*				0	120.8	0	-79.3	-170.9	-90.3	0	0	108.4
2	G	33.5	Very low	30.7	Very low	80 Å²	80	175.9 Å²	175.9	83%	0.825	90%	0.904	S	S	*	*			trans	175.4	87.6	179.2	0	0	0	0	0	110.9
3	K	31.5	Very low	30.5	Very low	216 Å²	216	168.2 Å²	168.2	94%	0.939	89%	0.894	S	S	*	*			trans	-95	114.5	171.3	-82.5	-177.6	175.6	177.6	0	108.5
4	K	32.1	Very low	30.9	Very low	209 Å²	209	164.6 Å²	164.6	91%	0.909	89%	0.89	S	S	*	*			trans	-85.1	124.2	162.9	-75.6	-176.3	175.9	-179.4	0	108.4
5	S	29	Very low	31	Very low	126 Å²	126	158.1 Å²	158.1	88%	0.881	88%	0.876	S	S	*	*			trans	-76.6	132.3	174.2	-155.5	0	0	0	0	109.5
6	R	32.6	Very low	31.2	Very low	239 Å²	239	153.8 Å²	153.8	90%	0.902	87%	0.867	S	S	*	*			trans	-108.4	114.8	-178.6	-156.2	175.1	-179	-179.8	-0.2	107.9
7	V	31.4	Very low	31.9	Very low	134 Å²	134	153.1 Å²	153.1	81%	0.812	86%	0.861	S	S	*	*			trans	-59.2	128.2	176.4	174.8	0	0	0	0	109.8
8	K	28.4	Very low	32.8	Very low	201 Å²	201	151.2 Å²	151.2	87%	0.874	85%	0.854	S	S	*	*			trans	-104.2	110.1	167.5	-100.7	-176.1	176	-179.7	0	108.3	Q10	K8-Q10 PolarHBondContact O-N 3.39Å
9	T	29.3	Very low	34.2	Very low	136 Å²	136	151 Å²	151	83%	0.834	86%	0.856	S	S	*	*			trans	-66.4	115.6	167.2	-17.3	0	0	0	0	108.6	K11	T9-K11 PolarHBondContact O-N 3.04Å
10	Q	27	Very low	36.3	Very low	191 Å²	191	144.7 Å²	144.7	89%	0.893	82%	0.82	S	S	*	*			trans	-75.9	116	169.4	-92.6	177.5	-31.8	0	0	108.8	K8 S12	K8-Q10 PolarHBondContact O-N 3.39Å; Q10-S12 PolarHBondContact O-N 3.31Å
11	K	28.4	Very low	38.7	Very low	205 Å²	205	140.5 Å²	140.5	89%	0.891	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-67.6	122.5	159.9	-80	-179.7	170.9	-177.1	0	107.8	T9 G13	T9-K11 PolarHBondContact O-N 3.04Å; K11-G13 PolarHBondContact O-N 3.39Å
12	S	30.3	Very low	41.3	Very low	120 Å²	120	133.4 Å²	133.4	84%	0.839	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-63.2	116.8	165.1	42.7	0	0	0	0	108.8	Q10 S14	Q10-S12 PolarHBondContact O-N 3.31Å; S12-S14 PolarHBondContact O-N 2.93Å
13	G	27.5	Very low	44	Very low	75 Å²	75	137.1 Å²	137.1	77%	0.773	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-72	122.5	176.5	0	0	0	0	0	110.7	K11 G15	K11-G13 PolarHBondContact O-N 3.39Å; G13-G15 PolarHBondContact O-N 3.28Å
14	S	35.6	Very low	47.1	Very low	119 Å²	119	130.4 Å²	130.4	83%	0.832	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-47.4	123.5	158.4	173	0	0	0	0	109.8	S12 A16	S12-S14 PolarHBondContact O-N 2.93Å; S14-A16 PolarHBondContact O-N 3.1Å
15	G	32.5	Very low	50.1	Low	66 Å²	66	121 Å²	121	68%	0.68	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-59	119.3	172.4	0	0	0	0	0	110.1	G13 N17	G13-G15 PolarHBondContact O-N 3.28Å; G15-N17 PolarHBondContact O-N 3.44Å
16	A	35.4	Very low	53.3	Low	90 Å²	90	117 Å²	117	74%	0.744	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-69	118.1	172.4	0	0	0	0	0	108.8	S14 T18	S14-A16 PolarHBondContact O-N 3.1Å; A16-T18 PolarHBondContact O-N 3.41Å
17	N	42	Very low	56.4	Low	142 Å²	142	110.5 Å²	110.5	76%	0.759	65%	0.649	S	S	*	*			trans	-58.9	103.8	167.2	-83.2	-20.6	0	0	0	108.4	G15 V19	G15-N17 PolarHBondContact O-N 3.44Å; N17-V19 PolarHBondContact O-N 2.95Å; N17-V19 VanDerWaalsContact O-N 3.13Å
18	T	49.1	Very low	59.5	Low	118 Å²	118	104.6 Å²	104.6	72%	0.724	61%	0.613	S	S	*	*			trans	-65.9	111.9	171.1	38.1	0	0	0	0	107.9	A16 V20	A16-T18 PolarHBondContact O-N 3.41Å; T18-V20 PolarHBondContact O-N 3.41Å
19	V	58.3	Low	62.9	Low	148 Å²	148	95 Å²	95	90%	0.897	57%	0.571	S	S	*	*			trans	-61.3	106.2	175.6	178.8	0	0	0	0	107.8	N17	N17-V19 PolarHBondContact O-N 2.95Å; N17-V19 VanDerWaalsContact O-N 3.13Å
20	V	76.8	Confident	66.1	Low	24 Å²	24	90.8 Å²	90.8	15%	0.145	55%	0.547	C	S	.	.			trans	-70.8	134	179	176	0	0	0	0	109.3	T18 E24 K63	T18-V20 PolarHBondContact O-N 3.41Å; V20-E24 HydrophobicContact CG1-CB 3.84Å; V20-E24 HydrophobicContact CG1-CG 3.96Å; V20-K63 HydrophobicContact CB-CB 4.39Å; V20-K63 HydrophobicContact CG1-CD 4.29Å; V20-K63 HydrophobicContact CG2-CB 3.64Å; V20-K63 HydrophobicContact CG2-CD 3.86Å; V20-K63 HydrophobicContact CG2-CG 3.6Å
21	S	87.5	Confident	69.5	Low	57 Å²	57	86.1 Å²	86.1	40%	0.399	53%	0.525	S	S	.	.			trans	-65.3	142.9	178	73.2	0	0	0	0	110.6	K23 E24 M25	S21-K23 PolarHBondContact O-N 3.49Å; S21-K23 VanDerWaalsContact O-N 3.09Å; S21-E24 PolarHBondContact O-N 2.89Å; S21-E24 WeakPolarHBondContact OG-CB 3.44Å; S21-E24 PolarHBondContact OG-N 3.35Å; S21-E24 VanDerWaalsContact OG-N 3.16Å; S21-M25 PolarHBondContact O-N 2.82Å; S21-M25 VanDerWaalsContact O-N 3.1Å
22	P	88.4	Confident	72.9	Confident	105 Å²	105	76.3 Å²	76.3	68%	0.682	48%	0.483	S	S	*	.	H	α-helix	trans	-54	-32.9	176.2	-28.6	35.3	0	0	0	113.3	M25 M26	P22-M25 PolarHBondContact O-N 2.99Å; P22-M26 WeakPolarHBondContact O-CG 2.79Å; P22-M26 PolarHBondContact O-N 3.34Å
23	K	91.9	Very high	76.1	Confident	158 Å²	158	72.1 Å²	72.1	69%	0.687	45%	0.451	S	S	*	.	H	α-helix	trans	-65.7	-44.1	176	-172.8	177.6	-178.9	179.3	0	112.5	S21 M25 M26 N27	S21-K23 PolarHBondContact O-N 3.49Å; S21-K23 VanDerWaalsContact O-N 3.09Å; K23-M25 VanDerWaalsContact C-N 3.34Å; K23-M26 PolarHBondContact O-N 2.99Å; K23-N27 PolarHBondContact O-N 3.24Å; K23-N27 VanDerWaalsContact O-N 3.1Å
24	E	94.8	Very high	79.4	Confident	76 Å²	76	75.7 Å²	75.7	36%	0.355	45%	0.447	S	S	.	.	H	α-helix	trans	-63.3	-42.1	176.2	-175.6	-173.5	158.6	0	0	111	V20 S21 N27 L28 K63	V20-E24 HydrophobicContact CG1-CB 3.84Å; V20-E24 HydrophobicContact CG1-CG 3.96Å; S21-E24 PolarHBondContact O-N 2.89Å; S21-E24 WeakPolarHBondContact OG-CB 3.44Å; S21-E24 PolarHBondContact OG-N 3.35Å; S21-E24 VanDerWaalsContact OG-N 3.16Å; E24-N27 PolarHBondContact O-N 3.34Å; E24-L28 PolarHBondContact O-N 3.25Å; E24-K63 WeakPolarHBondContact OE1-CE 3.29Å; E24-K63 IonicContact OE1-NZ 2.69Å; E24-K63 PolarHBondContact OE1-NZ 3.09Å
25	M	95.8	Very high	82.3	Confident	11 Å²	11	72.9 Å²	72.9	5%	0.054	42%	0.42	C	S	.	.	H	α-helix	trans	-61.4	-48	175.8	-173.1	59.4	73.6	0	0	111.5	S21 P22 K23 N27 L28 I29 I60 K63 Q64 Y221	S21-M25 PolarHBondContact O-N 2.82Å; S21-M25 VanDerWaalsContact O-N 3.1Å; P22-M25 PolarHBondContact O-N 2.99Å; K23-M25 VanDerWaalsContact C-N 3.34Å; M25-N27 PolarHBondContact O-N 3.46Å; M25-L28 PolarHBondContact O-N 2.9Å; M25-L28 VanDerWaalsContact O-N 3.13Å; M25-I29 HydrophobicContact CG-CG1 4.32Å; M25-I29 VanDerWaalsContact O-CG1 3.26Å; M25-I29 WeakPolarHBondContact O-CG1 3.29Å; M25-I29 PolarHBondContact O-N 3.45Å; M25-I29 HydrophobicContact SD-CG1 4.4Å; M25-I60 HydrophobicContact SD-CG2 3.96Å; M25-K63 HydrophobicContact CE-CB 3.83Å; M25-Q64 HydrophobicContact CE-CG 3.7Å; M25-Y221 HydrophobicContact CG-CE1 4.24Å; M25-Y221 HydrophobicContact CG-CE2 4.46Å; M25-Y221 VanDerWaalsContact CG-OH 3.25Å; M25-Y221 WeakPolarHBondContact CG-OH 3.32Å
26	M	96.1	Very high	85.4	Confident	43 Å²	43	69.8 Å²	69.8	21%	0.212	39%	0.388	C	S	.	.	H	α-helix	trans	-59.2	-33	177.5	-76.2	-63.8	-68.8	0	0	113.5	P22 K23 S30 Y221 K222 Q225 T226	P22-M26 WeakPolarHBondContact O-CG 2.79Å; P22-M26 PolarHBondContact O-N 3.34Å; K23-M26 PolarHBondContact O-N 2.99Å; M26-S30 WeakPolarHBondContact O-CB 3.4Å; M26-S30 PolarHBondContact O-N 2.92Å; M26-S30 PolarHBondContact O-OG 3.37Å; M26-Y221 HydrophobicContact SD-CD1 3.88Å; M26-Y221 HydrophobicContact SD-CE1 3.55Å; M26-Y221 VanDerWaalsContact SD-CE1 3.55Å; M26-K222 HydrophobicContact CE-CG 4.11Å; M26-Q225 HydrophobicContact SD-CB 4.1Å; M26-Q225 HydrophobicContact SD-CG 4.32Å; M26-T226 HydrophobicContact CE-CG2 4.37Å
27	N	97.3	Very high	88.2	Confident	101 Å²	101	68.8 Å²	68.8	54%	0.54	38%	0.376	S	S	.	.	H	α-helix	trans	-66.8	-46.9	174.4	-71.4	-12.8	0	0	0	111.6	K23 E24 M25 I29 S30 E31	K23-N27 PolarHBondContact O-N 3.24Å; K23-N27 VanDerWaalsContact O-N 3.1Å; E24-N27 PolarHBondContact O-N 3.34Å; M25-N27 PolarHBondContact O-N 3.46Å; N27-I29 VanDerWaalsContact C-N 3.31Å; N27-I29 PolarHBondContact O-N 3.04Å; N27-S30 PolarHBondContact O-N 3.36Å; N27-E31 PolarHBondContact O-N 3.06Å
28	L	98	Very high	90.5	Very high	10 Å²	10	64.8 Å²	64.8	5%	0.052	36%	0.359	C	S	.	.	H	α-helix	trans	-61.7	-40.4	176.9	-66.5	172.5	0	0	0	111.8	E24 M25 E31 L32 K59 I60 K63	E24-L28 PolarHBondContact O-N 3.25Å; M25-L28 PolarHBondContact O-N 2.9Å; M25-L28 VanDerWaalsContact O-N 3.13Å; L28-E31 PolarHBondContact O-N 3.32Å; L28-L32 WeakPolarHBondContact O-CB 3.36Å; L28-L32 PolarHBondContact O-N 3.11Å; L28-K59 HydrophobicContact CD2-CD 3.93Å; L28-I60 HydrophobicContact CB-CD1 4.2Å; L28-I60 HydrophobicContact CB-CG1 3.81Å; L28-I60 HydrophobicContact CD1-CG1 4.29Å; L28-K63 HydrophobicContact CD1-CD 3.68Å
29	I	98.2	Very high	92.3	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-63.6	-41.9	176.2	-66.6	-69.8	0	0	0	111.1	M25 N27 L32 L33 I60 Y217 A218 Y221	M25-I29 HydrophobicContact CG-CG1 4.32Å; M25-I29 VanDerWaalsContact O-CG1 3.26Å; M25-I29 WeakPolarHBondContact O-CG1 3.29Å; M25-I29 PolarHBondContact O-N 3.45Å; M25-I29 HydrophobicContact SD-CG1 4.4Å; N27-I29 VanDerWaalsContact C-N 3.31Å; N27-I29 PolarHBondContact O-N 3.04Å; I29-L32 PolarHBondContact O-N 3.46Å; I29-L33 WeakPolarHBondContact O-CB 3.36Å; I29-L33 PolarHBondContact O-N 2.83Å; I29-I60 HydrophobicContact CD1-CD1 4.16Å; I29-I60 HydrophobicContact CD1-CG2 4.41Å; I29-Y217 HydrophobicContact CD1-CD1 4.2Å; I29-Y217 HydrophobicContact CD1-CE1 3.32Å; I29-A218 HydrophobicContact CG2-CB 4.04Å; I29-A218 VanDerWaalsContact CG2-O 3.3Å; I29-A218 WeakPolarHBondContact CG2-O 3.36Å; I29-Y221 HydrophobicContact CB-CD1 4.2Å; I29-Y221 HydrophobicContact CD1-CD1 4.11Å; I29-Y221 HydrophobicContact CD1-CD2 4.25Å; I29-Y221 HydrophobicContact CD1-CG 3.93Å; I29-Y221 HydrophobicContact CG1-CD1 3.68Å; I29-Y221 HydrophobicContact CG1-CE1 3.92Å; I29-Y221 HydrophobicContact CG1-CG 4.04Å; I29-Y221 HydrophobicContact CG2-CD1 3.86Å; I29-Y221 HydrophobicContact CG2-CG 4.26Å
30	S	98	Very high	93.3	Very high	47 Å²	47	60.4 Å²	60.4	33%	0.329	35%	0.35	S	S	.	.	H	α-helix	trans	-66	-40.4	177.5	-59.5	0	0	0	0	111.9	M26 N27 L33 Q34	M26-S30 WeakPolarHBondContact O-CB 3.4Å; M26-S30 PolarHBondContact O-N 2.92Å; M26-S30 PolarHBondContact O-OG 3.37Å; N27-S30 PolarHBondContact O-N 3.36Å; S30-L33 PolarHBondContact O-N 3.34Å; S30-Q34 WeakPolarHBondContact O-CB 3.4Å; S30-Q34 PolarHBondContact O-N 3.15Å
31	E	98.1	Very high	93.4	Very high	92 Å²	92	60.8 Å²	60.8	43%	0.43	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-47	173.6	-175.7	-178.2	-179.2	0	0	111.2	N27 L28 L33 Q34 K35 L56	N27-E31 PolarHBondContact O-N 3.06Å; L28-E31 PolarHBondContact O-N 3.32Å; E31-L33 PolarHBondContact O-N 3.27Å; E31-Q34 PolarHBondContact O-N 3.32Å; E31-K35 WeakPolarHBondContact O-CB 3.5Å; E31-K35 PolarHBondContact O-N 2.93Å; E31-L56 HydrophobicContact CG-CD1 4.18Å; E31-L56 HydrophobicContact CG-CD2 4.3Å
32	L	98.6	Very high	92.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-60.8	-45.3	177	-178.2	63.7	0	0	0	111.7	L28 I29 K35 C36 I53 L56 V57 I60 A214 Y217 A218	L28-L32 WeakPolarHBondContact O-CB 3.36Å; L28-L32 PolarHBondContact O-N 3.11Å; I29-L32 PolarHBondContact O-N 3.46Å; L32-K35 PolarHBondContact O-N 2.94Å; L32-C36 PolarHBondContact O-N 3.48Å; L32-C36 PolarHBondContact O-SG 2.97Å; L32-I53 HydrophobicContact CD1-CG2 4.12Å; L32-L56 HydrophobicContact CD1-CB 4.02Å; L32-L56 HydrophobicContact CD1-CD1 4.42Å; L32-V57 HydrophobicContact CD1-CG2 3.95Å; L32-V57 HydrophobicContact CD2-CG2 4.05Å; L32-I60 HydrophobicContact CB-CD1 4.13Å; L32-I60 HydrophobicContact CD2-CD1 3.7Å; L32-I60 HydrophobicContact CG-CD1 4.47Å; L32-A214 HydrophobicContact CD1-CB 4.23Å; L32-A214 HydrophobicContact CD2-CB 4.35Å; L32-Y217 HydrophobicContact CD2-CD1 4.25Å; L32-A218 HydrophobicContact CB-CB 4.3Å; L32-A218 HydrophobicContact CD2-CB 4.08Å; L32-A218 HydrophobicContact CG-CB 4.16Å
33	L	98.4	Very high	91.7	Very high	32 Å²	32	60.5 Å²	60.5	17%	0.168	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-45.9	178.7	-178.1	58.4	0	0	0	111.4	I29 S30 E31 K35 C36 S37 R215 A218 K222	I29-L33 WeakPolarHBondContact O-CB 3.36Å; I29-L33 PolarHBondContact O-N 2.83Å; S30-L33 PolarHBondContact O-N 3.34Å; E31-L33 PolarHBondContact O-N 3.27Å; L33-K35 VanDerWaalsContact C-N 3.34Å; L33-K35 PolarHBondContact O-N 2.86Å; L33-C36 PolarHBondContact O-N 2.93Å; L33-S37 VanDerWaalsContact O-CB 3.25Å; L33-S37 WeakPolarHBondContact O-CB 3.36Å; L33-S37 PolarHBondContact O-N 3.46Å; L33-S37 PolarHBondContact O-OG 2.97Å; L33-R215 HydrophobicContact CD1-CG 4.04Å; L33-A218 HydrophobicContact CB-CB 3.81Å; L33-A218 HydrophobicContact CD1-CB 4.39Å; L33-K222 HydrophobicContact CD2-CD 4.5Å
34	Q	97.5	Very high	91	Very high	150 Å²	150	56 Å²	56	70%	0.701	36%	0.364	S	S	*	.	H	α-helix	trans	-61.2	-45	177.1	-176.5	-179.7	-2.9	0	0	111	S30 E31 C36 S37 S38	S30-Q34 WeakPolarHBondContact O-CB 3.4Å; S30-Q34 PolarHBondContact O-N 3.15Å; E31-Q34 PolarHBondContact O-N 3.32Å; Q34-C36 PolarHBondContact O-N 3.32Å; Q34-S37 PolarHBondContact O-N 3.45Å; Q34-S38 PolarHBondContact O-N 2.98Å; Q34-S38 PolarHBondContact O-OG 3.47Å
35	K	96.4	Very high	90.7	Very high	60 Å²	60	58.2 Å²	58.2	26%	0.261	37%	0.373	S	S	.	.	H	α-helix	trans	-61	-47.5	179.4	-174.5	60.3	174.4	176.8	0	111.7	E31 L32 L33 S37 S38 I53 L56	E31-K35 WeakPolarHBondContact O-CB 3.5Å; E31-K35 PolarHBondContact O-N 2.93Å; L32-K35 PolarHBondContact O-N 2.94Å; L33-K35 VanDerWaalsContact C-N 3.34Å; L33-K35 PolarHBondContact O-N 2.86Å; K35-S37 VanDerWaalsContact C-N 3.31Å; K35-S37 PolarHBondContact O-N 3.37Å; K35-S38 WeakPolarHBondContact O-CB 3.43Å; K35-S38 PolarHBondContact O-N 3.3Å; K35-S38 PolarHBondContact O-OG 3.35Å; K35-I53 HydrophobicContact CG-CG1 3.89Å; K35-L56 HydrophobicContact CB-CD1 4.22Å; K35-L56 HydrophobicContact CG-CD1 4.32Å
36	C	96.8	Very high	90.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-77.5	-15.8	-176.9	-55.3	0	0	0	0	114	L32 L33 Q34 K211 R215	L32-C36 PolarHBondContact O-N 3.48Å; L32-C36 PolarHBondContact O-SG 2.97Å; L33-C36 PolarHBondContact O-N 2.93Å; Q34-C36 PolarHBondContact O-N 3.32Å; C36-K211 HydrophobicContact CB-CG 4.17Å; C36-K211 WeakPolarHBondContact O-CE 3.36Å; C36-R215 HydrophobicContact CB-CB 3.58Å; C36-R215 HydrophobicContact CB-CG 4.07Å; C36-R215 WeakPolarHBondContact O-CD 3.44Å; C36-R215 PolarHBondContact O-NH1 3.39Å; C36-R215 VanDerWaalsContact O-NH1 3.13Å
37	S	95.2	Very high	90.5	Very high	70 Å²	70	60.9 Å²	60.9	49%	0.49	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.9	175.6	-51.7	0	0	0	0	113	L33 Q34 K35	L33-S37 VanDerWaalsContact O-CB 3.25Å; L33-S37 WeakPolarHBondContact O-CB 3.36Å; L33-S37 PolarHBondContact O-N 3.46Å; L33-S37 PolarHBondContact O-OG 2.97Å; Q34-S37 PolarHBondContact O-N 3.45Å; K35-S37 VanDerWaalsContact C-N 3.31Å; K35-S37 PolarHBondContact O-N 3.37Å
38	S	90.3	Very high	90.4	Very high	58 Å²	58	60.6 Å²	60.6	41%	0.406	38%	0.378	S	S	.	.	S	Bend	trans	-66.6	147.1	174.3	-61.2	0	0	0	0	110.3	Q34 K35 K211	Q34-S38 PolarHBondContact O-N 2.98Å; Q34-S38 PolarHBondContact O-OG 3.47Å; K35-S38 WeakPolarHBondContact O-CB 3.43Å; K35-S38 PolarHBondContact O-N 3.3Å; K35-S38 PolarHBondContact O-OG 3.35Å; S38-K211 PolarHBondContact O-NZ 3.01Å
39	A	85.4	Confident	90.3	Very high	90 Å²	90	61.1 Å²	61.1	74%	0.744	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-52.3	150.3	176.3	0	0	0	0	0	111.2
40	A	80.3	Confident	90.2	Very high	83 Å²	83	61.3 Å²	61.3	69%	0.686	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-52.2	131.7	177.1	0	0	0	0	0	109.9
41	P	77.7	Confident	90.2	Very high	33 Å²	33	61.3 Å²	61.3	21%	0.214	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-63.8	149.6	-178	27.9	-34.5	0	0	0	109.9	G43 K45 E46 E49	P41-G43 PolarHBondContact O-N 3.05Å; P41-K45 HydrophobicContact CB-CB 3.94Å; P41-E46 HydrophobicContact CG-CG 3.88Å; P41-E49 WeakPolarHBondContact CD-OE2 3.3Å; P41-E49 HydrophobicContact CG-CB 4.19Å; P41-E49 WeakPolarHBondContact CG-OE2 3.15Å
42	S	71.6	Confident	90.2	Very high	77 Å²	77	61.6 Å²	61.6	54%	0.538	38%	0.38	S	S	.	.	S	Bend	trans	-51.2	139.3	172.8	57.3	0	0	0	0	110.7	G44 K45	S42-G44 PolarHBondContact O-N 2.93Å; S42-K45 PolarHBondContact O-N 2.97Å
43	G	68.6	Low	90.2	Very high	79 Å²	79	61.8 Å²	61.8	81%	0.814	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.4	129.8	-170.5	0	0	0	0	0	114.6	P41	P41-G43 PolarHBondContact O-N 3.05Å
44	G	77.6	Confident	90.2	Very high	63 Å²	63	61.1 Å²	61.1	65%	0.649	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.8	-0.6	179.8	0	0	0	0	0	115.9	S42	S42-G44 PolarHBondContact O-N 2.93Å
45	K	89.8	Confident	90.2	Very high	123 Å²	123	56 Å²	56	54%	0.535	36%	0.364	S	S	.	.			trans	-105.2	8.4	177.7	-70.3	-176.3	-175.6	175	0	115.2	P41 S42 W47 E48 E49	P41-K45 HydrophobicContact CB-CB 3.94Å; S42-K45 PolarHBondContact O-N 2.97Å; K45-W47 VanDerWaalsContact C-N 3.33Å; K45-E48 VanDerWaalsContact C-OE2 3.3Å; K45-E48 WeakPolarHBondContact CA-OE2 3.49Å; K45-E48 PolarHBondContact O-N 3.15Å; K45-E49 PolarHBondContact O-N 3.37Å; K45-E49 VanDerWaalsContact O-N 3.1Å
46	E	91.6	Very high	90.3	Very high	60 Å²	60	54.3 Å²	54.3	28%	0.28	36%	0.358	S	S	.	.	H	α-helix	trans	-69.2	-33.3	-175.1	-66.7	157.6	154.6	0	0	111.7	P41 E49 Y50 Q204 L207	P41-E46 HydrophobicContact CG-CG 3.88Å; E46-E49 PolarHBondContact O-N 3.31Å; E46-Y50 WeakPolarHBondContact O-CB 3.46Å; E46-Y50 PolarHBondContact O-N 3.33Å; E46-Q204 PolarHBondContact OE1-OE1 2.84Å; E46-Q204 VanDerWaalsContact OE2-CD 3.26Å; E46-Q204 PolarHBondContact OE2-NE2 3.48Å; E46-Q204 PolarHBondContact OE2-OE1 3.34Å; E46-Q204 VanDerWaalsContact OE2-OE1 3.07Å; E46-L207 HydrophobicContact CB-CD1 3.82Å
47	W	95	Very high	90.4	Very high	49 Å²	49	54.3 Å²	54.3	19%	0.186	36%	0.358	C	S	.	.	H	α-helix	trans	-66.1	-45.8	175.6	175.4	-110.1	0	0	0	111.9	K45 E49 Y50 V51 Q191 V194 Q195 L198 L207	K45-W47 VanDerWaalsContact C-N 3.33Å; W47-E49 VanDerWaalsContact C-N 3.3Å; W47-E49 PolarHBondContact O-N 3.09Å; W47-Y50 AromaticContact CE3-CD1 3.86Å; W47-Y50 HydrophobicContact CE3-CD1 3.86Å; W47-Y50 HydrophobicContact CH2-CD1 4.3Å; W47-Y50 HydrophobicContact CH2-CE1 4.27Å; W47-Y50 AromaticContact CZ3-CD1 3.65Å; W47-Y50 HydrophobicContact CZ3-CD1 3.65Å; W47-Y50 AromaticContact CZ3-CE1 3.84Å; W47-Y50 HydrophobicContact CZ3-CE1 3.84Å; W47-Y50 WeakPolarHBondContact O-CB 3.36Å; W47-Y50 PolarHBondContact O-N 3.23Å; W47-V51 HydrophobicContact CD2-CG2 4.23Å; W47-V51 HydrophobicContact CZ2-CG2 3.97Å; W47-V51 WeakPolarHBondContact O-CG2 3.43Å; W47-V51 PolarHBondContact O-N 2.78Å; W47-Q191 HydrophobicContact CH2-CG 3.9Å; W47-Q191 HydrophobicContact CZ2-CG 4.09Å; W47-V194 HydrophobicContact CZ3-CB 4.37Å; W47-V194 HydrophobicContact CZ3-CG1 4.01Å; W47-Q195 HydrophobicContact CH2-CB 3.81Å; W47-Q195 HydrophobicContact CH2-CG 4.27Å; W47-Q195 HydrophobicContact CZ2-CB 4.13Å; W47-Q195 HydrophobicContact CZ2-CG 4.12Å; W47-L198 HydrophobicContact CB-CD2 4.36Å; W47-L198 HydrophobicContact CD2-CD1 4.11Å; W47-L198 HydrophobicContact CD2-CD2 3.99Å; W47-L198 HydrophobicContact CE3-CD1 4.37Å; W47-L198 HydrophobicContact CE3-CD2 3.72Å; W47-L198 HydrophobicContact CE3-CG 4.35Å; W47-L198 HydrophobicContact CG-CD1 4.48Å; W47-L198 HydrophobicContact CG-CD2 4.27Å; W47-L198 HydrophobicContact CZ2-CD1 4.48Å; W47-L198 HydrophobicContact CZ3-CD2 4.33Å; W47-L207 HydrophobicContact CE3-CD2 4.42Å
48	E	95.3	Very high	90.5	Very high	95 Å²	95	53 Å²	53	44%	0.444	34%	0.344	S	S	.	.	H	α-helix	trans	-63.8	-38.5	176.4	-65.5	79.4	-176.3	0	0	111.3	K45 V51 Q52	K45-E48 VanDerWaalsContact C-OE2 3.3Å; K45-E48 WeakPolarHBondContact CA-OE2 3.49Å; K45-E48 PolarHBondContact O-N 3.15Å; E48-V51 PolarHBondContact O-N 2.99Å; E48-Q52 WeakPolarHBondContact O-CG 3.47Å; E48-Q52 PolarHBondContact O-N 2.77Å; E48-Q52 VanDerWaalsContact O-N 3.08Å
49	E	95.9	Very high	90.9	Very high	21 Å²	21	54.9 Å²	54.9	10%	0.098	35%	0.345	C	S	.	.	H	α-helix	trans	-61.5	-46.9	173	-173.4	-177.7	-141.5	0	0	111.1	P41 K45 E46 W47 V51 Q52 I53 K211	P41-E49 WeakPolarHBondContact CD-OE2 3.3Å; P41-E49 HydrophobicContact CG-CB 4.19Å; P41-E49 WeakPolarHBondContact CG-OE2 3.15Å; K45-E49 PolarHBondContact O-N 3.37Å; K45-E49 VanDerWaalsContact O-N 3.1Å; E46-E49 PolarHBondContact O-N 3.31Å; W47-E49 VanDerWaalsContact C-N 3.3Å; W47-E49 PolarHBondContact O-N 3.09Å; E49-V51 PolarHBondContact O-N 2.98Å; E49-Q52 WeakPolarHBondContact O-CB 3.18Å; E49-Q52 PolarHBondContact O-N 3.01Å; E49-I53 HydrophobicContact CG-CD1 3.82Å; E49-I53 HydrophobicContact CG-CG1 4.35Å; E49-I53 WeakPolarHBondContact O-CG1 3.13Å; E49-I53 PolarHBondContact O-N 3.21Å; E49-K211 IonicContact OE1-NZ 3.26Å; E49-K211 PolarHBondContact OE1-NZ 3.24Å; E49-K211 IonicContact OE2-NZ 2.59Å; E49-K211 PolarHBondContact OE2-NZ 3.23Å
50	Y	96.9	Very high	91.5	Very high	5 Å²	5	50.7 Å²	50.7	2%	0.02	31%	0.31	C	S	.	.	H	α-helix	trans	-56.7	-48.7	176.7	169.3	-97.2	0	0	0	112.1	E46 W47 Q52 I53 R54 V194 L207 Y210	E46-Y50 WeakPolarHBondContact O-CB 3.46Å; E46-Y50 PolarHBondContact O-N 3.33Å; W47-Y50 AromaticContact CE3-CD1 3.86Å; W47-Y50 HydrophobicContact CE3-CD1 3.86Å; W47-Y50 HydrophobicContact CH2-CD1 4.3Å; W47-Y50 HydrophobicContact CH2-CE1 4.27Å; W47-Y50 AromaticContact CZ3-CD1 3.65Å; W47-Y50 HydrophobicContact CZ3-CD1 3.65Å; W47-Y50 AromaticContact CZ3-CE1 3.84Å; W47-Y50 HydrophobicContact CZ3-CE1 3.84Å; W47-Y50 WeakPolarHBondContact O-CB 3.36Å; W47-Y50 PolarHBondContact O-N 3.23Å; Y50-Q52 VanDerWaalsContact C-N 3.28Å; Y50-Q52 PolarHBondContact O-N 3.3Å; Y50-I53 PolarHBondContact O-N 3.24Å; Y50-R54 VanDerWaalsContact O-CB 3.3Å; Y50-R54 WeakPolarHBondContact O-CB 3.38Å; Y50-R54 PolarHBondContact O-N 3.45Å; Y50-R54 PolarHBondContact OH-NH1 3.19Å; Y50-V194 HydrophobicContact CE1-CB 4.43Å; Y50-V194 HydrophobicContact CE1-CG1 4.29Å; Y50-V194 WeakPolarHBondContact OH-CG2 3.41Å; Y50-L207 HydrophobicContact CD1-CD2 4.1Å; Y50-L207 HydrophobicContact CD2-CD2 3.59Å; Y50-L207 HydrophobicContact CE2-CD2 4.18Å; Y50-L207 HydrophobicContact CG-CD2 3.54Å; Y50-Y210 HydrophobicContact CD2-CD1 4.15Å; Y50-Y210 HydrophobicContact CD2-CG 4.18Å; Y50-Y210 AromaticContact CE2-CD1 3.88Å; Y50-Y210 HydrophobicContact CE2-CD1 3.88Å; Y50-Y210 HydrophobicContact CE2-CD2 4.01Å; Y50-Y210 HydrophobicContact CE2-CE1 4.49Å; Y50-Y210 AromaticContact CE2-CG 3.62Å; Y50-Y210 HydrophobicContact CE2-CG 3.62Å
51	V	97.7	Very high	92.3	Very high	48 Å²	48	49 Å²	49	29%	0.291	29%	0.286	S	S	.	.	H	α-helix	trans	-60.2	-39.8	178.4	172.4	0	0	0	0	111.1	W47 E48 E49 G55	W47-V51 HydrophobicContact CD2-CG2 4.23Å; W47-V51 HydrophobicContact CZ2-CG2 3.97Å; W47-V51 WeakPolarHBondContact O-CG2 3.43Å; W47-V51 PolarHBondContact O-N 2.78Å; E48-V51 PolarHBondContact O-N 2.99Å; E49-V51 PolarHBondContact O-N 2.98Å; V51-G55 PolarHBondContact O-N 2.81Å
52	Q	97.4	Very high	93.2	Very high	98 Å²	98	55.6 Å²	55.6	46%	0.458	31%	0.311	S	S	.	.	H	α-helix	trans	-66.4	-46.1	176.7	-70.6	167.3	15.1	0	0	112.3	E48 E49 Y50 G55 L56	E48-Q52 WeakPolarHBondContact O-CG 3.47Å; E48-Q52 PolarHBondContact O-N 2.77Å; E48-Q52 VanDerWaalsContact O-N 3.08Å; E49-Q52 WeakPolarHBondContact O-CB 3.18Å; E49-Q52 PolarHBondContact O-N 3.01Å; Y50-Q52 VanDerWaalsContact C-N 3.28Å; Y50-Q52 PolarHBondContact O-N 3.3Å; Q52-G55 PolarHBondContact O-N 2.81Å; Q52-L56 PolarHBondContact O-N 2.94Å; Q52-L56 VanDerWaalsContact O-N 3.11Å
53	I	98.4	Very high	94.4	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.015	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-46.4	176.8	-67.1	170.5	0	0	0	109.8	L32 K35 E49 Y50 G55 L56 V57 Y210 K211 A214	L32-I53 HydrophobicContact CD1-CG2 4.12Å; K35-I53 HydrophobicContact CG-CG1 3.89Å; E49-I53 HydrophobicContact CG-CD1 3.82Å; E49-I53 HydrophobicContact CG-CG1 4.35Å; E49-I53 WeakPolarHBondContact O-CG1 3.13Å; E49-I53 PolarHBondContact O-N 3.21Å; Y50-I53 PolarHBondContact O-N 3.24Å; I53-G55 VanDerWaalsContact C-N 3.32Å; I53-G55 PolarHBondContact O-N 3.13Å; I53-L56 PolarHBondContact O-N 2.79Å; I53-V57 HydrophobicContact CG2-CG2 4.32Å; I53-V57 WeakPolarHBondContact O-CG2 3.41Å; I53-V57 PolarHBondContact O-N 3.17Å; I53-Y210 HydrophobicContact CG2-CD1 4.05Å; I53-Y210 HydrophobicContact CG2-CE1 4.01Å; I53-K211 HydrophobicContact CD1-CB 4.07Å; I53-K211 HydrophobicContact CD1-CD 4.03Å; I53-K211 HydrophobicContact CD1-CG 3.82Å; I53-A214 HydrophobicContact CG2-CB 3.89Å
54	R	98.3	Very high	95.6	Very high	18 Å²	18	53 Å²	53	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-57.6	-45	175.9	-172.9	-179.8	-177.6	98	8.9	111.4	Y50 L56 V57 E58 Y189 Y210	Y50-R54 VanDerWaalsContact O-CB 3.3Å; Y50-R54 WeakPolarHBondContact O-CB 3.38Å; Y50-R54 PolarHBondContact O-N 3.45Å; Y50-R54 PolarHBondContact OH-NH1 3.19Å; R54-L56 VanDerWaalsContact C-N 3.32Å; R54-L56 PolarHBondContact O-N 2.82Å; R54-V57 PolarHBondContact O-N 2.62Å; R54-E58 HydrophobicContact CG-CG 4.28Å; R54-E58 WeakPolarHBondContact O-CB 3.31Å; R54-E58 WeakPolarHBondContact O-CG 3.01Å; R54-E58 PolarHBondContact O-N 2.99Å; R54-Y189 VanDerWaalsContact CZ-O 3.23Å; R54-Y189 PolarHBondContact NH1-O 3.24Å; R54-Y189 PolarHBondContact NH2-O 2.9Å; R54-Y210 HydrophobicContact CB-CE1 4.05Å; R54-Y210 HydrophobicContact CG-CE1 4.48Å
55	G	98.3	Very high	96.3	Very high	44 Å²	44	59.2 Å²	59.2	45%	0.454	28%	0.277	S	S	.	.	H	α-helix	trans	-57.4	-41.6	176.1	0	0	0	0	0	113.4	V51 Q52 I53 K59	V51-G55 PolarHBondContact O-N 2.81Å; Q52-G55 PolarHBondContact O-N 2.81Å; I53-G55 VanDerWaalsContact C-N 3.32Å; I53-G55 PolarHBondContact O-N 3.13Å; G55-K59 WeakPolarHBondContact O-CB 3.43Å; G55-K59 PolarHBondContact O-N 2.89Å; G55-K59 VanDerWaalsContact O-N 3.09Å
56	L	98.3	Very high	96.6	Very high	23 Å²	23	54.2 Å²	54.2	12%	0.12	26%	0.261	C	S	.	.	H	α-helix	trans	-68.2	-44.7	175	-71	175.7	0	0	0	112.4	E31 L32 K35 Q52 I53 R54 K59 I60	E31-L56 HydrophobicContact CG-CD1 4.18Å; E31-L56 HydrophobicContact CG-CD2 4.3Å; L32-L56 HydrophobicContact CD1-CB 4.02Å; L32-L56 HydrophobicContact CD1-CD1 4.42Å; K35-L56 HydrophobicContact CB-CD1 4.22Å; K35-L56 HydrophobicContact CG-CD1 4.32Å; Q52-L56 PolarHBondContact O-N 2.94Å; Q52-L56 VanDerWaalsContact O-N 3.11Å; I53-L56 PolarHBondContact O-N 2.79Å; R54-L56 VanDerWaalsContact C-N 3.32Å; R54-L56 PolarHBondContact O-N 2.82Å; L56-K59 WeakPolarHBondContact O-CB 3.18Å; L56-K59 PolarHBondContact O-N 3.47Å; L56-I60 WeakPolarHBondContact O-CG1 3.45Å; L56-I60 PolarHBondContact O-N 3.47Å
57	V	98.6	Very high	96.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-48.8	176.8	168.6	0	0	0	0	110.6	L32 I53 R54 K59 I60 R61 Y210 A214 F241	L32-V57 HydrophobicContact CD1-CG2 3.95Å; L32-V57 HydrophobicContact CD2-CG2 4.05Å; I53-V57 HydrophobicContact CG2-CG2 4.32Å; I53-V57 WeakPolarHBondContact O-CG2 3.41Å; I53-V57 PolarHBondContact O-N 3.17Å; R54-V57 PolarHBondContact O-N 2.62Å; V57-K59 VanDerWaalsContact C-N 3.3Å; V57-K59 PolarHBondContact O-N 2.99Å; V57-I60 WeakPolarHBondContact O-CA 3.33Å; V57-I60 WeakPolarHBondContact O-CB 3.41Å; V57-I60 PolarHBondContact O-N 2.85Å; V57-R61 HydrophobicContact CG1-CG 4.16Å; V57-R61 WeakPolarHBondContact O-CG 3.41Å; V57-R61 PolarHBondContact O-N 3.02Å; V57-Y210 HydrophobicContact CB-CE1 4.44Å; V57-Y210 VanDerWaalsContact CG1-OH 3.32Å; V57-Y210 WeakPolarHBondContact CG1-OH 3.47Å; V57-Y210 HydrophobicContact CG2-CE1 4.11Å; V57-A214 HydrophobicContact CG2-CB 3.89Å; V57-F241 HydrophobicContact CG1-CD1 3.71Å; V57-F241 HydrophobicContact CG1-CD2 3.93Å; V57-F241 HydrophobicContact CG1-CE1 3.46Å; V57-F241 VanDerWaalsContact CG1-CE1 3.46Å; V57-F241 HydrophobicContact CG1-CE2 3.71Å; V57-F241 HydrophobicContact CG1-CG 3.93Å; V57-F241 HydrophobicContact CG1-CZ 3.47Å; V57-F241 VanDerWaalsContact CG1-CZ 3.47Å; V57-F241 HydrophobicContact CG2-CE2 4.08Å; V57-F241 HydrophobicContact CG2-CZ 4.39Å
58	E	98.1	Very high	96.8	Very high	44 Å²	44	52.8 Å²	52.8	21%	0.206	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-35	178.5	-71.4	-55.5	125.9	0	0	112.5	R54 I60 R61 K62	R54-E58 HydrophobicContact CG-CG 4.28Å; R54-E58 WeakPolarHBondContact O-CB 3.31Å; R54-E58 WeakPolarHBondContact O-CG 3.01Å; R54-E58 PolarHBondContact O-N 2.99Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-R61 PolarHBondContact O-N 2.93Å; E58-R61 WeakPolarHBondContact OE1-CD 3.16Å; E58-R61 IonicContact OE1-CZ 2.65Å; E58-R61 IonicContact OE1-NE 3.66Å; E58-R61 IonicContact OE1-NH1 2.82Å; E58-R61 PolarHBondContact OE1-NH1 3.23Å; E58-R61 IonicContact OE2-NH1 3.15Å; E58-K62 WeakPolarHBondContact O-CB 3.18Å; E58-K62 VanDerWaalsContact O-CG 3.27Å; E58-K62 WeakPolarHBondContact O-CG 3.44Å; E58-K62 PolarHBondContact O-N 3Å
59	K	97.6	Very high	96.7	Very high	97 Å²	97	50.2 Å²	50.2	42%	0.422	25%	0.252	S	S	.	.	H	α-helix	trans	-63.9	-38.5	172.8	-176	-178.4	177.7	-170.5	0	111.9	L28 G55 L56 V57 K63	L28-K59 HydrophobicContact CD2-CD 3.93Å; G55-K59 WeakPolarHBondContact O-CB 3.43Å; G55-K59 PolarHBondContact O-N 2.89Å; G55-K59 VanDerWaalsContact O-N 3.09Å; L56-K59 WeakPolarHBondContact O-CB 3.18Å; L56-K59 PolarHBondContact O-N 3.47Å; V57-K59 VanDerWaalsContact C-N 3.3Å; V57-K59 PolarHBondContact O-N 2.99Å; K59-K63 WeakPolarHBondContact O-CD 3.35Å; K59-K63 WeakPolarHBondContact O-CG 3.43Å
60	I	97.9	Very high	96.6	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-68.4	-50.7	174.4	-70.8	160.5	0	0	0	110.2	M25 L28 I29 L32 L56 V57 E58 K62 K63 Q64 Y217	M25-I60 HydrophobicContact SD-CG2 3.96Å; L28-I60 HydrophobicContact CB-CD1 4.2Å; L28-I60 HydrophobicContact CB-CG1 3.81Å; L28-I60 HydrophobicContact CD1-CG1 4.29Å; I29-I60 HydrophobicContact CD1-CD1 4.16Å; I29-I60 HydrophobicContact CD1-CG2 4.41Å; L32-I60 HydrophobicContact CB-CD1 4.13Å; L32-I60 HydrophobicContact CD2-CD1 3.7Å; L32-I60 HydrophobicContact CG-CD1 4.47Å; L56-I60 WeakPolarHBondContact O-CG1 3.45Å; L56-I60 PolarHBondContact O-N 3.47Å; V57-I60 WeakPolarHBondContact O-CA 3.33Å; V57-I60 WeakPolarHBondContact O-CB 3.41Å; V57-I60 PolarHBondContact O-N 2.85Å; E58-I60 VanDerWaalsContact C-N 3.33Å; I60-K62 VanDerWaalsContact C-N 3.35Å; I60-K62 PolarHBondContact O-N 3.34Å; I60-K63 WeakPolarHBondContact O-CA 3.35Å; I60-K63 WeakPolarHBondContact O-CB 3.48Å; I60-K63 PolarHBondContact O-N 3.36Å; I60-Q64 HydrophobicContact CG2-CG 4.46Å; I60-Q64 WeakPolarHBondContact O-CG 3.42Å; I60-Q64 PolarHBondContact O-N 2.86Å; I60-Y217 HydrophobicContact CG2-CE1 4.22Å
61	R	97.3	Very high	96.4	Very high	49 Å²	49	55 Å²	55	19%	0.185	28%	0.281	C	S	.	.	H	α-helix	trans	-56.7	-44.3	-179	-70.3	177.5	75.8	-145.1	-9.4	112.4	V57 E58 K63 Q64 F241 D242	V57-R61 HydrophobicContact CG1-CG 4.16Å; V57-R61 WeakPolarHBondContact O-CG 3.41Å; V57-R61 PolarHBondContact O-N 3.02Å; E58-R61 PolarHBondContact O-N 2.93Å; E58-R61 WeakPolarHBondContact OE1-CD 3.16Å; E58-R61 IonicContact OE1-CZ 2.65Å; E58-R61 IonicContact OE1-NE 3.66Å; E58-R61 IonicContact OE1-NH1 2.82Å; E58-R61 PolarHBondContact OE1-NH1 3.23Å; E58-R61 IonicContact OE2-NH1 3.15Å; R61-K63 PolarHBondContact O-N 2.7Å; R61-K63 VanDerWaalsContact O-N 3.08Å; R61-Q64 PolarHBondContact O-N 3.33Å; R61-F241 VanDerWaalsContact CD-CD1 3.45Å; R61-F241 HydrophobicContact CG-CB 3.96Å; R61-F241 HydrophobicContact CG-CD1 3.7Å; R61-F241 HydrophobicContact CG-CG 4.1Å; R61-D242 IonicContact CZ-OD1 3.58Å; R61-D242 VanDerWaalsContact CZ-OD1 3.23Å; R61-D242 IonicContact CZ-OD2 2.88Å; R61-D242 IonicContact NE-OD1 3.99Å; R61-D242 PolarHBondContact NE-OD1 2.94Å; R61-D242 IonicContact NE-OD2 3.73Å; R61-D242 IonicContact NH2-OD1 2.74Å; R61-D242 PolarHBondContact NH2-OD1 2.88Å; R61-D242 IonicContact NH2-OD2 2.87Å; R61-D242 PolarHBondContact NH2-OD2 3.17Å
62	K	96.6	Very high	96.1	Very high	171 Å²	171	59.7 Å²	59.7	74%	0.743	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.9	175.7	-75.5	174.8	-177.5	177.8	0	114.4	E58 I60	E58-K62 WeakPolarHBondContact O-CB 3.18Å; E58-K62 VanDerWaalsContact O-CG 3.27Å; E58-K62 WeakPolarHBondContact O-CG 3.44Å; E58-K62 PolarHBondContact O-N 3Å; I60-K62 VanDerWaalsContact C-N 3.35Å; I60-K62 PolarHBondContact O-N 3.34Å
63	K	96.3	Very high	95.8	Very high	69 Å²	69	57.4 Å²	57.4	30%	0.3	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-0.9	177.8	-68.3	173.7	172.1	-76.1	0	112.5	V20 E24 M25 L28 K59 I60 R61	V20-K63 HydrophobicContact CB-CB 4.39Å; V20-K63 HydrophobicContact CG1-CD 4.29Å; V20-K63 HydrophobicContact CG2-CB 3.64Å; V20-K63 HydrophobicContact CG2-CD 3.86Å; V20-K63 HydrophobicContact CG2-CG 3.6Å; E24-K63 WeakPolarHBondContact OE1-CE 3.29Å; E24-K63 IonicContact OE1-NZ 2.69Å; E24-K63 PolarHBondContact OE1-NZ 3.09Å; M25-K63 HydrophobicContact CE-CB 3.83Å; L28-K63 HydrophobicContact CD1-CD 3.68Å; K59-K63 WeakPolarHBondContact O-CD 3.35Å; K59-K63 WeakPolarHBondContact O-CG 3.43Å; I60-K63 WeakPolarHBondContact O-CA 3.35Å; I60-K63 WeakPolarHBondContact O-CB 3.48Å; I60-K63 PolarHBondContact O-N 3.36Å; R61-K63 PolarHBondContact O-N 2.7Å; R61-K63 VanDerWaalsContact O-N 3.08Å
64	Q	95.6	Very high	95.6	Very high	31 Å²	31	61.7 Å²	61.7	15%	0.145	33%	0.33	C	S	.	.	S	Bend	trans	-110.9	171.5	178.2	-66.8	-177.7	-39.9	0	0	110.4	M25 I60 R61 Y217 T240	M25-Q64 HydrophobicContact CE-CG 3.7Å; I60-Q64 HydrophobicContact CG2-CG 4.46Å; I60-Q64 WeakPolarHBondContact O-CG 3.42Å; I60-Q64 PolarHBondContact O-N 2.86Å; R61-Q64 PolarHBondContact O-N 3.33Å; Q64-Y217 PolarHBondContact NE2-OH 3.44Å; Q64-T240 HydrophobicContact CB-CG2 4Å; Q64-T240 HydrophobicContact CG-CG2 4.33Å
65	K	92.4	Very high	95.4	Very high	194 Å²	194	62.6 Å²	62.6	84%	0.843	33%	0.333	S	S	*	.			trans	-99.4	19.4	-174.8	-64.9	-177	179.2	178.4	0	113.7
66	G	94.3	Very high	95.2	Very high	19 Å²	19	64.1 Å²	64.1	20%	0.196	33%	0.329	C	S	.	.	S	Bend	trans	73.4	-144.9	-170.3	0	0	0	0	0	111.7	S68 T240 D242	G66-S68 PolarHBondContact O-N 2.81Å; G66-T240 WeakPolarHBondContact O-CB 3.23Å; G66-T240 VanDerWaalsContact O-CG2 3.26Å; G66-T240 WeakPolarHBondContact O-CG2 3.4Å; G66-T240 PolarHBondContact O-OG1 2.87Å; G66-D242 WeakPolarHBondContact CA-OD2 3.26Å
67	L	95.4	Very high	95.2	Very high	37 Å²	37	67.4 Å²	67.4	19%	0.194	35%	0.346	C	S	.	.			trans	-61	131.5	174.6	-70.8	174.6	0	0	0	111.1	V70 D242 D243 W246	L67-V70 HydrophobicContact CB-CG2 4.21Å; L67-D242 HydrophobicContact CD2-CB 4.47Å; L67-D242 WeakPolarHBondContact CD2-O 3.46Å; L67-D243 WeakPolarHBondContact CA-OD1 3.15Å; L67-W246 HydrophobicContact CD2-CB 3.74Å; L67-W246 HydrophobicContact CD2-CG 4.07Å
68	S	95.6	Very high	95.1	Very high	42 Å²	42	68.7 Å²	68.7	29%	0.294	35%	0.351	S	S	.	.	S	Bend	trans	-72.8	-34.4	-177	-75.5	0	0	0	0	113.3	G66 S238 D243	G66-S68 PolarHBondContact O-N 2.81Å; S68-S238 VanDerWaalsContact OG-CB 3.25Å; S68-S238 WeakPolarHBondContact OG-CB 3.49Å; S68-S238 PolarHBondContact OG-OG 3.36Å; S68-D243 WeakPolarHBondContact CB-OD2 3.39Å; S68-D243 PolarHBondContact N-OD1 3.16Å; S68-D243 PolarHBondContact OG-OD2 2.87Å
69	T	94.3	Very high	95.1	Very high	40 Å²	40	67.4 Å²	67.4	25%	0.245	35%	0.345	C	S	.	.			trans	-117.1	114.2	175.3	-53.7	0	0	0	0	109.5	F71 R165	T69-F71 HydrophobicContact CG2-CD1 4.35Å; T69-F71 HydrophobicContact CG2-CE1 3.79Å; T69-F71 HydrophobicContact CG2-CZ 4.19Å; T69-R165 HydrophobicContact CG2-CG 4.35Å; T69-R165 PolarHBondContact O-NE 2.94Å; T69-R165 PolarHBondContact O-NH2 3.35Å
70	V	93.1	Very high	95	Very high	98 Å²	98	66.8 Å²	66.8	59%	0.594	35%	0.351	S	S	*	.			trans	-115.2	137.9	173.7	-175.9	0	0	0	0	107.5	L67	L67-V70 HydrophobicContact CB-CG2 4.21Å
71	F	93.8	Very high	95	Very high	30 Å²	30	70.7 Å²	70.7	13%	0.132	37%	0.372	C	S	.	.			trans	-97.5	147.9	177.6	-54.3	-59.6	0	0	0	109.5	T69 Y78 R165 L173 I176 R177	T69-F71 HydrophobicContact CG2-CD1 4.35Å; T69-F71 HydrophobicContact CG2-CE1 3.79Å; T69-F71 HydrophobicContact CG2-CZ 4.19Å; F71-Y78 HydrophobicContact CB-CE2 4.23Å; F71-Y78 WeakPolarHBondContact CB-OH 3.45Å; F71-R165 HydrophobicContact CE2-CG 4.4Å; F71-R165 HydrophobicContact CZ-CG 3.99Å; F71-L173 HydrophobicContact CE1-CD1 3.98Å; F71-L173 HydrophobicContact CZ-CD1 3.91Å; F71-I176 HydrophobicContact CE2-CG2 4.2Å; F71-I176 HydrophobicContact CZ-CG2 4.23Å; F71-R177 HydrophobicContact CD1-CG 4.11Å; F71-R177 HydrophobicContact CD2-CB 4.33Å; F71-R177 HydrophobicContact CD2-CG 3.66Å; F71-R177 HydrophobicContact CE1-CG 4.09Å; F71-R177 HydrophobicContact CE2-CB 4.38Å; F71-R177 HydrophobicContact CE2-CG 3.62Å; F71-R177 HydrophobicContact CG-CG 3.9Å; F71-R177 HydrophobicContact CZ-CG 3.85Å
72	D	91.1	Very high	95	Very high	146 Å²	146	68.4 Å²	68.4	78%	0.781	36%	0.363	S	S	*	.	S	Bend	trans	-71	158.8	176.3	-63.4	-44.4	0	0	0	110.8	Y78	D72-Y78 WeakPolarHBondContact O-CE2 3.26Å; D72-Y78 VanDerWaalsContact O-CZ 3.26Å; D72-Y78 PolarHBondContact O-OH 3.25Å
73	G	91.2	Very high	95.1	Very high	49 Å²	49	61.9 Å²	61.9	51%	0.505	34%	0.336	S	S	.	.	S	Bend	trans	72.5	-174.7	178.3	0	0	0	0	0	114.6
74	N	93.2	Very high	95.1	Very high	93 Å²	93	61.4 Å²	61.4	50%	0.497	34%	0.341	S	S	.	.			trans	-96.7	167.7	-177.5	-64.2	-20.7	0	0	0	111.5	E76 D77 Y78	N74-E76 VanDerWaalsContact C-N 3.28Å; N74-E76 HydrophobicContact CB-CG 4.22Å; N74-E76 WeakPolarHBondContact CB-OE1 3.34Å; N74-E76 VanDerWaalsContact CB-OE2 3.32Å; N74-E76 WeakPolarHBondContact CB-OE2 3.44Å; N74-E76 PolarHBondContact ND2-OE1 2.64Å; N74-E76 PolarHBondContact O-N 2.92Å; N74-D77 PolarHBondContact N-OD2 2.9Å; N74-D77 WeakPolarHBondContact O-CB 2.99Å; N74-D77 PolarHBondContact O-N 3.43Å; N74-Y78 VanDerWaalsContact O-CD2 3.22Å; N74-Y78 WeakPolarHBondContact O-CD2 3.38Å; N74-Y78 WeakPolarHBondContact O-CE2 3.15Å
75	R	94.3	Very high	95.3	Very high	37 Å²	37	60.8 Å²	60.8	14%	0.14	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-61.3	-39.1	-178.8	-171.1	-180	177.1	-154.2	-9.1	111.8	D77 Y78 F79 Y106 S178	R75-D77 VanDerWaalsContact C-N 3.25Å; R75-D77 PolarHBondContact O-N 3.01Å; R75-Y78 PolarHBondContact O-N 3.45Å; R75-F79 HydrophobicContact CG-CE1 4.4Å; R75-F79 HydrophobicContact CG-CZ 3.95Å; R75-Y106 HydrophobicContact CB-CE2 4.45Å; R75-S178 PolarHBondContact NE-O 3.24Å; R75-S178 PolarHBondContact NH2-O 2.88Å
76	E	95.4	Very high	95.6	Very high	76 Å²	76	51.5 Å²	51.5	36%	0.355	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-63.9	-27.6	-179.6	57.8	-83.7	-166.4	0	0	114.5	N74 Y78 F79 Y106	N74-E76 VanDerWaalsContact C-N 3.28Å; N74-E76 HydrophobicContact CB-CG 4.22Å; N74-E76 WeakPolarHBondContact CB-OE1 3.34Å; N74-E76 VanDerWaalsContact CB-OE2 3.32Å; N74-E76 WeakPolarHBondContact CB-OE2 3.44Å; N74-E76 PolarHBondContact ND2-OE1 2.64Å; N74-E76 PolarHBondContact O-N 2.92Å; E76-Y78 PolarHBondContact O-N 2.89Å; E76-Y78 VanDerWaalsContact O-N 3.14Å; E76-F79 VanDerWaalsContact CA-CD2 3.49Å; E76-F79 HydrophobicContact CB-CD2 4.11Å; E76-F79 HydrophobicContact CB-CE2 4.05Å; E76-F79 PolarHBondContact O-N 3.41Å; E76-Y106 HydrophobicContact CB-CE1 4.41Å; E76-Y106 WeakPolarHBondContact CB-OH 3.37Å; E76-Y106 PolarHBondContact OE2-OH 3.46Å
77	D	96.5	Very high	95.7	Very high	92 Å²	92	56.8 Å²	56.8	49%	0.492	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-64.2	-20	178.7	-60.9	-33.1	0	0	0	111.6	N74 R75	N74-D77 PolarHBondContact N-OD2 2.9Å; N74-D77 WeakPolarHBondContact O-CB 2.99Å; N74-D77 PolarHBondContact O-N 3.43Å; R75-D77 VanDerWaalsContact C-N 3.25Å; R75-D77 PolarHBondContact O-N 3.01Å
78	Y	97.4	Very high	95.8	Very high	27 Å²	27	62 Å²	62	11%	0.106	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-97.6	-9.7	-176.3	-62.9	-65.6	0	0	0	115	F71 D72 N74 R75 E76 D81 L82 R177	F71-Y78 HydrophobicContact CB-CE2 4.23Å; F71-Y78 WeakPolarHBondContact CB-OH 3.45Å; D72-Y78 WeakPolarHBondContact O-CE2 3.26Å; D72-Y78 VanDerWaalsContact O-CZ 3.26Å; D72-Y78 PolarHBondContact O-OH 3.25Å; N74-Y78 VanDerWaalsContact O-CD2 3.22Å; N74-Y78 WeakPolarHBondContact O-CD2 3.38Å; N74-Y78 WeakPolarHBondContact O-CE2 3.15Å; R75-Y78 PolarHBondContact O-N 3.45Å; E76-Y78 PolarHBondContact O-N 2.89Å; E76-Y78 VanDerWaalsContact O-N 3.14Å; Y78-D81 PolarHBondContact O-N 3.36Å; Y78-L82 PolarHBondContact O-N 2.94Å; Y78-R177 HydrophobicContact CD1-CB 3.82Å; Y78-R177 HydrophobicContact CD1-CG 4.24Å; Y78-R177 HydrophobicContact CD2-CB 4.1Å; Y78-R177 HydrophobicContact CE1-CB 4.26Å; Y78-R177 HydrophobicContact CE1-CG 4.23Å; Y78-R177 HydrophobicContact CG-CB 3.71Å
79	F	97.5	Very high	96	Very high	17 Å²	17	61.2 Å²	61.2	8%	0.075	33%	0.332	C	S	.	.	H	α-helix	trans	-66.2	-35.9	179	-61.9	-46.4	0	0	0	114.2	R75 E76 D81 L82 M83 V98 Y106 M276	R75-F79 HydrophobicContact CG-CE1 4.4Å; R75-F79 HydrophobicContact CG-CZ 3.95Å; E76-F79 VanDerWaalsContact CA-CD2 3.49Å; E76-F79 HydrophobicContact CB-CD2 4.11Å; E76-F79 HydrophobicContact CB-CE2 4.05Å; E76-F79 PolarHBondContact O-N 3.41Å; F79-D81 VanDerWaalsContact C-N 3.31Å; F79-D81 PolarHBondContact O-N 2.93Å; F79-L82 HydrophobicContact CD1-CD2 4.35Å; F79-L82 WeakPolarHBondContact O-CB 3.24Å; F79-L82 PolarHBondContact O-N 3.24Å; F79-M83 WeakPolarHBondContact O-CG 3.36Å; F79-M83 PolarHBondContact O-N 3.07Å; F79-V98 HydrophobicContact CB-CB 4.36Å; F79-V98 HydrophobicContact CB-CG2 4.49Å; F79-V98 HydrophobicContact CD1-CB 4.25Å; F79-V98 HydrophobicContact CD1-CG1 3.92Å; F79-V98 HydrophobicContact CD1-CG2 4.16Å; F79-V98 HydrophobicContact CD2-CB 4.04Å; F79-V98 HydrophobicContact CD2-CG1 3.65Å; F79-V98 HydrophobicContact CE1-CG1 3.82Å; F79-V98 HydrophobicContact CE2-CB 4.44Å; F79-V98 HydrophobicContact CE2-CG1 3.56Å; F79-V98 HydrophobicContact CG-CB 3.97Å; F79-V98 HydrophobicContact CG-CG1 3.87Å; F79-V98 HydrophobicContact CG-CG2 4.24Å; F79-V98 HydrophobicContact CZ-CG1 3.65Å; F79-Y106 HydrophobicContact CD2-CE1 4.44Å; F79-Y106 AromaticContact CE2-CD1 3.44Å; F79-Y106 HydrophobicContact CE2-CD1 3.44Å; F79-Y106 VanDerWaalsContact CE2-CD1 3.44Å; F79-Y106 HydrophobicContact CE2-CD2 4.42Å; F79-Y106 AromaticContact CE2-CE1 3.42Å; F79-Y106 HydrophobicContact CE2-CE1 3.42Å; F79-Y106 VanDerWaalsContact CE2-CE1 3.42Å; F79-Y106 HydrophobicContact CE2-CE2 4.37Å; F79-Y106 AromaticContact CE2-CG 3.96Å; F79-Y106 HydrophobicContact CE2-CG 3.96Å; F79-Y106 AromaticContact CE2-CZ 3.9Å; F79-Y106 AromaticContact CZ-CD1 3.73Å; F79-Y106 HydrophobicContact CZ-CD1 3.73Å; F79-Y106 HydrophobicContact CZ-CD2 4.12Å; F79-Y106 HydrophobicContact CZ-CE1 4.06Å; F79-Y106 HydrophobicContact CZ-CE2 4.39Å; F79-Y106 AromaticContact CZ-CG 3.76Å; F79-Y106 HydrophobicContact CZ-CG 3.76Å; F79-M276 HydrophobicContact CD1-CE 4.49Å; F79-M276 HydrophobicContact CE1-CE 3.67Å; F79-M276 HydrophobicContact CZ-CE 3.98Å
80	P	97	Very high	96.1	Very high	85 Å²	85	61.3 Å²	61.3	55%	0.552	34%	0.342	S	S	*	.	H	α-helix	trans	-58.7	-42.4	173.1	-25.7	36.1	0	0	0	112.7	M83 C84	P80-M83 PolarHBondContact O-N 2.91Å; P80-C84 WeakPolarHBondContact O-CB 3.48Å; P80-C84 PolarHBondContact O-N 2.95Å
81	D	96.8	Very high	96.3	Very high	83 Å²	83	57.1 Å²	57.1	44%	0.444	32%	0.317	S	S	.	.	H	α-helix	trans	-64.7	-40.5	176.8	-70.8	-6.6	0	0	0	111.4	Y78 F79 C84 W85	Y78-D81 PolarHBondContact O-N 3.36Å; F79-D81 VanDerWaalsContact C-N 3.31Å; F79-D81 PolarHBondContact O-N 2.93Å; D81-C84 PolarHBondContact O-N 2.92Å; D81-W85 VanDerWaalsContact O-CB 3.27Å; D81-W85 WeakPolarHBondContact O-CB 3.39Å; D81-W85 PolarHBondContact O-N 2.67Å
82	L	97.9	Very high	96.4	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.1	-49.1	174.2	174	67.5	0	0	0	111.4	Y78 F79 W85 A86 L273	Y78-L82 PolarHBondContact O-N 2.94Å; F79-L82 HydrophobicContact CD1-CD2 4.35Å; F79-L82 WeakPolarHBondContact O-CB 3.24Å; F79-L82 PolarHBondContact O-N 3.24Å; L82-W85 HydrophobicContact CD1-CE3 4.15Å; L82-W85 HydrophobicContact CD1-CZ3 4.34Å; L82-W85 PolarHBondContact O-N 3.43Å; L82-A86 VanDerWaalsContact O-CB 3.27Å; L82-A86 WeakPolarHBondContact O-CB 3.5Å; L82-A86 PolarHBondContact O-N 3.38Å; L82-L273 HydrophobicContact CD2-CD1 4.38Å
83	M	97.8	Very high	96.6	Very high	34 Å²	34	49.9 Å²	49.9	17%	0.167	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-42	-178.9	-65.9	-63.1	-70	0	0	111.4	F79 P80 A86 Q87 C93 F96 L273	F79-M83 WeakPolarHBondContact O-CG 3.36Å; F79-M83 PolarHBondContact O-N 3.07Å; P80-M83 PolarHBondContact O-N 2.91Å; M83-A86 PolarHBondContact O-N 2.62Å; M83-Q87 WeakPolarHBondContact O-CB 3.3Å; M83-Q87 PolarHBondContact O-N 3.13Å; M83-C93 HydrophobicContact CE-CB 3.91Å; M83-F96 HydrophobicContact CE-CD2 4.36Å; M83-F96 HydrophobicContact CE-CE2 3.93Å; M83-F96 HydrophobicContact SD-CE2 4.48Å; M83-L273 HydrophobicContact SD-CD1 3.57Å; M83-L273 VanDerWaalsContact SD-CD1 3.57Å; M83-L273 HydrophobicContact SD-CD2 4.46Å
84	C	97.7	Very high	96.6	Very high	59 Å²	59	53.7 Å²	53.7	40%	0.399	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-48	176.2	-167	0	0	0	0	111.2	P80 D81 A86 Q87 E88	P80-C84 WeakPolarHBondContact O-CB 3.48Å; P80-C84 PolarHBondContact O-N 2.95Å; D81-C84 PolarHBondContact O-N 2.92Å; C84-A86 VanDerWaalsContact C-N 3.33Å; C84-A86 PolarHBondContact O-N 2.67Å; C84-Q87 PolarHBondContact O-N 3.25Å; C84-E88 WeakPolarHBondContact O-CG 3.45Å; C84-E88 PolarHBondContact O-N 2.74Å
85	W	98.4	Very high	96.8	Very high	18 Å²	18	49.7 Å²	49.7	7%	0.068	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-38.7	177.4	172.9	80.7	0	0	0	112.7	D81 L82 E88 N89 M127 F171 P174 P272	D81-W85 VanDerWaalsContact O-CB 3.27Å; D81-W85 WeakPolarHBondContact O-CB 3.39Å; D81-W85 PolarHBondContact O-N 2.67Å; L82-W85 HydrophobicContact CD1-CE3 4.15Å; L82-W85 HydrophobicContact CD1-CZ3 4.34Å; L82-W85 PolarHBondContact O-N 3.43Å; W85-E88 PolarHBondContact O-N 3.47Å; W85-N89 PolarHBondContact NE1-ND2 3.38Å; W85-N89 PolarHBondContact O-N 3.01Å; W85-N89 PolarHBondContact O-ND2 2.92Å; W85-M127 HydrophobicContact CE3-CE 3.78Å; W85-M127 HydrophobicContact CH2-CB 3.76Å; W85-M127 HydrophobicContact CH2-CE 3.94Å; W85-M127 HydrophobicContact CH2-CG 3.93Å; W85-M127 HydrophobicContact CZ2-CB 4.38Å; W85-M127 HydrophobicContact CZ2-CG 4.24Å; W85-M127 HydrophobicContact CZ3-CB 4.33Å; W85-M127 HydrophobicContact CZ3-CE 3.36Å; W85-M127 HydrophobicContact CZ3-CG 4.32Å; W85-F171 AromaticContact CE2-CZ 3.91Å; W85-F171 HydrophobicContact CZ2-CD1 4.1Å; W85-F171 AromaticContact CZ2-CE1 3.53Å; W85-F171 HydrophobicContact CZ2-CE1 3.53Å; W85-F171 HydrophobicContact CZ2-CE2 4.39Å; W85-F171 AromaticContact CZ2-CZ 3.69Å; W85-F171 HydrophobicContact CZ2-CZ 3.69Å; W85-F171 AromaticContact NE1-CD2 3.92Å; W85-F171 AromaticContact NE1-CE2 3.49Å; W85-F171 AromaticContact NE1-CZ 3.65Å; W85-F171 PolarHBondContact NE1-O 2.78Å; W85-F171 VanDerWaalsContact NE1-O 3.11Å; W85-P174 HydrophobicContact CB-CB 3.88Å; W85-P174 HydrophobicContact CB-CG 3.84Å; W85-P174 HydrophobicContact CD2-CB 4.24Å; W85-P174 HydrophobicContact CD2-CG 4.28Å; W85-P174 HydrophobicContact CE3-CB 4.46Å; W85-P174 HydrophobicContact CG-CB 4Å; W85-P174 HydrophobicContact CG-CG 3.75Å; W85-P272 HydrophobicContact CH2-CB 4.33Å; W85-P272 HydrophobicContact CH2-CG 4.09Å; W85-P272 HydrophobicContact CZ3-CB 3.87Å; W85-P272 HydrophobicContact CZ3-CG 4.14Å
86	A	98.1	Very high	96.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-45.9	175.7	0	0	0	0	0	111.4	L82 M83 C84 E88 N89 G90 A91 M127 L273	L82-A86 VanDerWaalsContact O-CB 3.27Å; L82-A86 WeakPolarHBondContact O-CB 3.5Å; L82-A86 PolarHBondContact O-N 3.38Å; M83-A86 PolarHBondContact O-N 2.62Å; C84-A86 VanDerWaalsContact C-N 3.33Å; C84-A86 PolarHBondContact O-N 2.67Å; A86-E88 PolarHBondContact O-N 2.93Å; A86-N89 CarbonylContact O-C 3.52Å; A86-N89 PolarHBondContact O-N 3.46Å; A86-G90 PolarHBondContact O-N 2.82Å; A86-A91 HydrophobicContact CB-CB 4.05Å; A86-A91 WeakPolarHBondContact O-CB 3.28Å; A86-A91 PolarHBondContact O-N 3.34Å; A86-M127 HydrophobicContact CB-CE 3.61Å; A86-L273 HydrophobicContact CB-CD2 4.05Å
87	Q	97.4	Very high	97	Very high	129 Å²	129	46.9 Å²	46.9	60%	0.603	26%	0.263	S	S	*	.	H	α-helix	trans	-61.7	-44.7	176.9	-171.6	175.6	22	0	0	111.9	M83 C84 N89 G90 C93	M83-Q87 WeakPolarHBondContact O-CB 3.3Å; M83-Q87 PolarHBondContact O-N 3.13Å; C84-Q87 PolarHBondContact O-N 3.25Å; Q87-N89 PolarHBondContact O-N 3.15Å; Q87-G90 PolarHBondContact O-N 3.4Å; Q87-G90 VanDerWaalsContact O-N 3.13Å; Q87-C93 HydrophobicContact CB-CB 4.39Å; Q87-C93 PolarHBondContact N-SG 3.36Å; Q87-C93 VanDerWaalsContact N-SG 3.42Å
88	E	98.1	Very high	97.1	Very high	146 Å²	146	43.2 Å²	43.2	68%	0.682	24%	0.244	S	C	*	.	H	α-helix	trans	-61.2	-27.1	177.2	-74.8	174.1	-175.9	0	0	113.4	C84 W85 A86	C84-E88 WeakPolarHBondContact O-CG 3.45Å; C84-E88 PolarHBondContact O-N 2.74Å; W85-E88 PolarHBondContact O-N 3.47Å; A86-E88 PolarHBondContact O-N 2.93Å
89	N	98.2	Very high	97	Very high	26 Å²	26	43.2 Å²	43.2	14%	0.139	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	8.1	178.8	-71.1	-81.6	0	0	0	113.7	W85 A86 Q87 P124 K126 M127 F171	W85-N89 PolarHBondContact NE1-ND2 3.38Å; W85-N89 PolarHBondContact O-N 3.01Å; W85-N89 PolarHBondContact O-ND2 2.92Å; A86-N89 CarbonylContact O-C 3.52Å; A86-N89 PolarHBondContact O-N 3.46Å; Q87-N89 PolarHBondContact O-N 3.15Å; N89-P124 WeakPolarHBondContact O-CG 3.31Å; N89-K126 PolarHBondContact OD1-NZ 3.15Å; N89-M127 HydrophobicContact CB-CG 3.61Å; N89-M127 HydrophobicContact CB-SD 3.73Å; N89-F171 WeakPolarHBondContact OD1-CZ 3.5Å
90	G	97.3	Very high	97	Very high	43 Å²	43	46.7 Å²	46.7	44%	0.443	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	14	171.4	0	0	0	0	0	115.5	A86 Q87 W122	A86-G90 PolarHBondContact O-N 2.82Å; Q87-G90 PolarHBondContact O-N 3.4Å; Q87-G90 VanDerWaalsContact O-N 3.13Å; G90-W122 PolarHBondContact O-NE1 3.01Å; G90-W122 VanDerWaalsContact O-NE1 3.14Å
91	A	98	Very high	97	Very high	9 Å²	9	45.1 Å²	45.1	7%	0.074	25%	0.25	C	S	.	.			trans	-74.1	150.8	168.6	0	0	0	0	0	111.3	A86 C93 W122 I123 M127	A86-A91 HydrophobicContact CB-CB 4.05Å; A86-A91 WeakPolarHBondContact O-CB 3.28Å; A86-A91 PolarHBondContact O-N 3.34Å; A91-C93 PolarHBondContact O-N 3.45Å; A91-W122 VanDerWaalsContact CA-O 3.3Å; A91-W122 WeakPolarHBondContact CA-O 3.01Å; A91-W122 WeakPolarHBondContact CB-O 3.37Å; A91-I123 HydrophobicContact CB-CD1 3.91Å; A91-M127 HydrophobicContact CB-CE 3.95Å; A91-M127 HydrophobicContact CB-SD 3.63Å
92	S	96	Very high	96.8	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.042	26%	0.255	C	S	.	.			trans	-61.2	132.3	167.3	52.9	0	0	0	0	110	F96 L121 W122	S92-F96 WeakPolarHBondContact O-CZ 3.42Å; S92-L121 WeakPolarHBondContact OG-CA 3.32Å; S92-L121 WeakPolarHBondContact OG-CD1 3.38Å; S92-W122 PolarHBondContact N-O 3.32Å; S92-W122 VanDerWaalsContact N-O 3.15Å; S92-W122 PolarHBondContact OG-N 3.12Å; S92-W122 PolarHBondContact OG-O 3.4Å
93	C	93.5	Very high	96.2	Very high	19 Å²	19	50.7 Å²	50.7	13%	0.128	30%	0.298	C	S	.	.			trans	-131.5	8.6	176.4	-66.4	0	0	0	0	112.3	M83 Q87 A91	M83-C93 HydrophobicContact CE-CB 3.91Å; Q87-C93 HydrophobicContact CB-CB 4.39Å; Q87-C93 PolarHBondContact N-SG 3.36Å; Q87-C93 VanDerWaalsContact N-SG 3.42Å; A91-C93 PolarHBondContact O-N 3.45Å
94	D	93.3	Very high	95.8	Very high	128 Å²	128	53.3 Å²	53.3	68%	0.684	31%	0.31	S	S	*	.	S	Bend	trans	-103.1	142.5	-175.7	-66.1	-35.2	0	0	0	111.2
95	G	95.7	Very high	95.7	Very high	9 Å²	9	51.7 Å²	51.7	9%	0.093	30%	0.303	C	S	.	.	S	Bend	trans	88.7	0.9	174.4	0	0	0	0	0	115.6	A110 T111	G95-A110 WeakPolarHBondContact O-CA 3.31Å; G95-T111 WeakPolarHBondContact CA-OG1 3.34Å; G95-T111 PolarHBondContact O-N 3.19Å; G95-T111 PolarHBondContact O-OG1 2.81Å
96	F	97.7	Very high	95.6	Very high	7 Å²	7	53.1 Å²	53.1	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	164.8	173.8	56.5	-95.2	0	0	0	112.8	M83 S92 L108 R109 T111 F120 L121 L273 I309	M83-F96 HydrophobicContact CE-CD2 4.36Å; M83-F96 HydrophobicContact CE-CE2 3.93Å; M83-F96 HydrophobicContact SD-CE2 4.48Å; S92-F96 WeakPolarHBondContact O-CZ 3.42Å; F96-L108 HydrophobicContact CD2-CD1 4Å; F96-L108 HydrophobicContact CD2-CD2 4.18Å; F96-L108 HydrophobicContact CE2-CD1 4.28Å; F96-L108 HydrophobicContact CG-CD1 4.35Å; F96-R109 CarbonylContact C-O 3.57Å; F96-R109 WeakPolarHBondContact CA-O 3.47Å; F96-R109 WeakPolarHBondContact CB-O 3.38Å; F96-T111 PolarHBondContact N-OG1 2.86Å; F96-F120 HydrophobicContact CD1-CD2 4.01Å; F96-F120 HydrophobicContact CD1-CE2 4.37Å; F96-F120 HydrophobicContact CE1-CD2 4.3Å; F96-L121 HydrophobicContact CE1-CD1 3.96Å; F96-L121 HydrophobicContact CE2-CD1 4.5Å; F96-L121 HydrophobicContact CZ-CD1 3.6Å; F96-L273 HydrophobicContact CE2-CD1 4.05Å; F96-L273 HydrophobicContact CE2-CD2 4Å; F96-L273 HydrophobicContact CE2-CG 4.17Å; F96-L273 HydrophobicContact CZ-CD2 4.06Å; F96-I309 HydrophobicContact CB-CD1 3.68Å
97	T	97.2	Very high	95.6	Very high	48 Å²	48	53.1 Å²	53.1	29%	0.294	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	152.5	172	-176.2	0	0	0	0	110.2	R109 T111	T97-R109 HydrophobicContact CG2-CB 4.29Å; T97-R109 PolarHBondContact N-O 3.12Å; T97-R109 PolarHBondContact O-N 2.82Å; T97-T111 HydrophobicContact CG2-CG2 3.86Å
98	V	97.4	Very high	95.7	Very high	15 Å²	15	47 Å²	47	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	136.5	171	-176.4	0	0	0	0	109.5	F79 Y106 G107 L108 M276	F79-V98 HydrophobicContact CB-CB 4.36Å; F79-V98 HydrophobicContact CB-CG2 4.49Å; F79-V98 HydrophobicContact CD1-CB 4.25Å; F79-V98 HydrophobicContact CD1-CG1 3.92Å; F79-V98 HydrophobicContact CD1-CG2 4.16Å; F79-V98 HydrophobicContact CD2-CB 4.04Å; F79-V98 HydrophobicContact CD2-CG1 3.65Å; F79-V98 HydrophobicContact CE1-CG1 3.82Å; F79-V98 HydrophobicContact CE2-CB 4.44Å; F79-V98 HydrophobicContact CE2-CG1 3.56Å; F79-V98 HydrophobicContact CG-CB 3.97Å; F79-V98 HydrophobicContact CG-CG1 3.87Å; F79-V98 HydrophobicContact CG-CG2 4.24Å; F79-V98 HydrophobicContact CZ-CG1 3.65Å; V98-Y106 HydrophobicContact CG1-CD1 3.96Å; V98-Y106 HydrophobicContact CG1-CG 4.5Å; V98-G107 WeakPolarHBondContact CA-O 3.5Å; V98-L108 HydrophobicContact CG2-CD2 3.96Å; V98-M276 HydrophobicContact CG1-CE 3.46Å; V98-M276 VanDerWaalsContact CG1-CE 3.46Å; V98-M276 HydrophobicContact CG2-CE 4.24Å
99	T	97.1	Very high	95.7	Very high	26 Å²	26	43.6 Å²	43.6	16%	0.16	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	147.3	179.8	-65.6	0	0	0	0	110.3	F101 Y106 G107 R109	T99-F101 HydrophobicContact CG2-CE1 4.42Å; T99-F101 HydrophobicContact CG2-CE2 4.43Å; T99-F101 HydrophobicContact CG2-CZ 4.25Å; T99-F101 WeakPolarHBondContact O-CD2 3.47Å; T99-Y106 CarbonylContact O-C 3.57Å; T99-Y106 WeakPolarHBondContact O-CA 3.39Å; T99-G107 PolarHBondContact N-O 3.23Å; T99-G107 PolarHBondContact O-N 3.25Å; T99-R109 VanDerWaalsContact OG1-CZ 3.28Å; T99-R109 PolarHBondContact OG1-NH1 3.26Å
100	D	97	Very high	95.7	Very high	90 Å²	90	42.4 Å²	42.4	48%	0.481	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123.1	171.4	-174	4.7	0	0	0	110.8	G102 Y106	D100-G102 PolarHBondContact OD1-N 3.43Å; D100-Y106 HydrophobicContact CB-CD1 3.99Å; D100-Y106 HydrophobicContact CB-CE1 3.66Å
101	F	96.2	Very high	95.8	Very high	53 Å²	53	43.3 Å²	43.3	23%	0.232	25%	0.252	C	S	.	.			trans	-104.4	18.2	177.3	-65.1	-79.1	0	0	0	112.8	T99 T103 E104 G105 R109 Q308	T99-F101 HydrophobicContact CG2-CE1 4.42Å; T99-F101 HydrophobicContact CG2-CE2 4.43Å; T99-F101 HydrophobicContact CG2-CZ 4.25Å; T99-F101 WeakPolarHBondContact O-CD2 3.47Å; F101-T103 PolarHBondContact O-N 3.13Å; F101-T103 VanDerWaalsContact O-N 3.11Å; F101-E104 HydrophobicContact CB-CB 4.43Å; F101-G105 PolarHBondContact N-O 3.38Å; F101-R109 HydrophobicContact CZ-CB 3.81Å; F101-R109 HydrophobicContact CZ-CG 4.22Å; F101-Q308 HydrophobicContact CD1-CB 4.16Å; F101-Q308 HydrophobicContact CD1-CG 4.44Å; F101-Q308 HydrophobicContact CD2-CG 4.04Å; F101-Q308 HydrophobicContact CE1-CB 3.57Å; F101-Q308 HydrophobicContact CE1-CG 4.08Å; F101-Q308 HydrophobicContact CE2-CB 4.03Å; F101-Q308 VanDerWaalsContact CE2-CD 3.48Å; F101-Q308 HydrophobicContact CE2-CG 3.62Å; F101-Q308 HydrophobicContact CG-CG 4.41Å; F101-Q308 HydrophobicContact CZ-CB 3.47Å; F101-Q308 VanDerWaalsContact CZ-CB 3.47Å; F101-Q308 HydrophobicContact CZ-CG 3.62Å
102	G	93.4	Very high	95.8	Very high	53 Å²	53	47.2 Å²	47.2	55%	0.546	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	73.7	-102.9	175.1	0	0	0	0	0	111.6	D100 E104 G105	D100-G102 PolarHBondContact OD1-N 3.43Å; G102-E104 VanDerWaalsContact C-N 3.3Å; G102-E104 PolarHBondContact O-N 3.19Å; G102-G105 PolarHBondContact O-N 3.46Å
103	T	85.1	Confident	95.9	Very high	147 Å²	147	51.4 Å²	51.4	90%	0.902	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-67.6	-28.9	-173.6	48.4	0	0	0	0	113.8	F101 G105	F101-T103 PolarHBondContact O-N 3.13Å; F101-T103 VanDerWaalsContact O-N 3.11Å; T103-G105 VanDerWaalsContact C-N 3.3Å
104	E	89.8	Confident	96.2	Very high	89 Å²	89	50.6 Å²	50.6	42%	0.416	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-86	-6.3	175	-66.1	168.9	-148.2	0	0	112	F101 G102 N278 Q308 Y310	F101-E104 HydrophobicContact CB-CB 4.43Å; G102-E104 VanDerWaalsContact C-N 3.3Å; G102-E104 PolarHBondContact O-N 3.19Å; E104-N278 PolarHBondContact O-ND2 2.62Å; E104-Q308 PolarHBondContact OE2-NE2 3.09Å; E104-Y310 PolarHBondContact OE1-OH 2.94Å; E104-Y310 WeakPolarHBondContact OE2-CE1 3.47Å; E104-Y310 PolarHBondContact OE2-OH 3.43Å
105	G	94.7	Very high	96.4	Very high	25 Å²	25	50 Å²	50	26%	0.258	27%	0.272	S	S	.	.			trans	68.3	-152.1	-174.3	0	0	0	0	0	112.8	F101 G102 T103	F101-G105 PolarHBondContact N-O 3.38Å; G102-G105 PolarHBondContact O-N 3.46Å; T103-G105 VanDerWaalsContact C-N 3.3Å
106	Y	97.7	Very high	96.5	Very high	47 Å²	47	51.6 Å²	51.6	18%	0.184	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	130.3	-179.1	-73.3	-77.6	0	0	0	112.1	R75 E76 F79 V98 T99 D100	R75-Y106 HydrophobicContact CB-CE2 4.45Å; E76-Y106 HydrophobicContact CB-CE1 4.41Å; E76-Y106 WeakPolarHBondContact CB-OH 3.37Å; E76-Y106 PolarHBondContact OE2-OH 3.46Å; F79-Y106 HydrophobicContact CD2-CE1 4.44Å; F79-Y106 AromaticContact CE2-CD1 3.44Å; F79-Y106 HydrophobicContact CE2-CD1 3.44Å; F79-Y106 VanDerWaalsContact CE2-CD1 3.44Å; F79-Y106 HydrophobicContact CE2-CD2 4.42Å; F79-Y106 AromaticContact CE2-CE1 3.42Å; F79-Y106 HydrophobicContact CE2-CE1 3.42Å; F79-Y106 VanDerWaalsContact CE2-CE1 3.42Å; F79-Y106 HydrophobicContact CE2-CE2 4.37Å; F79-Y106 AromaticContact CE2-CG 3.96Å; F79-Y106 HydrophobicContact CE2-CG 3.96Å; F79-Y106 AromaticContact CE2-CZ 3.9Å; F79-Y106 AromaticContact CZ-CD1 3.73Å; F79-Y106 HydrophobicContact CZ-CD1 3.73Å; F79-Y106 HydrophobicContact CZ-CD2 4.12Å; F79-Y106 HydrophobicContact CZ-CE1 4.06Å; F79-Y106 HydrophobicContact CZ-CE2 4.39Å; F79-Y106 AromaticContact CZ-CG 3.76Å; F79-Y106 HydrophobicContact CZ-CG 3.76Å; V98-Y106 HydrophobicContact CG1-CD1 3.96Å; V98-Y106 HydrophobicContact CG1-CG 4.5Å; T99-Y106 CarbonylContact O-C 3.57Å; T99-Y106 WeakPolarHBondContact O-CA 3.39Å; D100-Y106 HydrophobicContact CB-CD1 3.99Å; D100-Y106 HydrophobicContact CB-CE1 3.66Å
107	G	98	Very high	96.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	-179.9	176.8	0	0	0	0	0	112.5	V98 T99 M276	V98-G107 WeakPolarHBondContact CA-O 3.5Å; T99-G107 PolarHBondContact N-O 3.23Å; T99-G107 PolarHBondContact O-N 3.25Å; G107-M276 VanDerWaalsContact CA-O 3.26Å; G107-M276 WeakPolarHBondContact CA-O 3.2Å
108	L	98.3	Very high	96.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.7	168.6	-61.3	-168.1	0	0	0	110.8	F96 V98 L121 L273 M276 C277 Q308 I309	F96-L108 HydrophobicContact CD2-CD1 4Å; F96-L108 HydrophobicContact CD2-CD2 4.18Å; F96-L108 HydrophobicContact CE2-CD1 4.28Å; F96-L108 HydrophobicContact CG-CD1 4.35Å; V98-L108 HydrophobicContact CG2-CD2 3.96Å; L108-L121 HydrophobicContact CD1-CD2 4.07Å; L108-L273 HydrophobicContact CD2-CD1 4.47Å; L108-M276 HydrophobicContact CD2-CB 3.8Å; L108-M276 HydrophobicContact CG-CB 4.11Å; L108-C277 VanDerWaalsContact CD1-SG 3.51Å; L108-Q308 WeakPolarHBondContact O-CA 3.23Å; L108-I309 HydrophobicContact CB-CB 4.2Å; L108-I309 HydrophobicContact CB-CD1 4.37Å; L108-I309 PolarHBondContact O-N 3.38Å
109	R	98.3	Very high	96.7	Very high	76 Å²	76	61.8 Å²	61.8	29%	0.287	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.7	173.2	-170.1	179.7	66.6	-146.3	-5.8	110	F96 T97 T99 F101 N306 E307	F96-R109 CarbonylContact C-O 3.57Å; F96-R109 WeakPolarHBondContact CA-O 3.47Å; F96-R109 WeakPolarHBondContact CB-O 3.38Å; T97-R109 HydrophobicContact CG2-CB 4.29Å; T97-R109 PolarHBondContact N-O 3.12Å; T97-R109 PolarHBondContact O-N 2.82Å; T99-R109 VanDerWaalsContact OG1-CZ 3.28Å; T99-R109 PolarHBondContact OG1-NH1 3.26Å; F101-R109 HydrophobicContact CZ-CB 3.81Å; F101-R109 HydrophobicContact CZ-CG 4.22Å; R109-N306 WeakPolarHBondContact CD-O 3.47Å; R109-N306 WeakPolarHBondContact CG-O 3.49Å; R109-E307 CarbonylContact C-O 3.6Å; R109-E307 WeakPolarHBondContact CA-O 3.34Å
110	A	98.6	Very high	96.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	138.1	175.6	0	0	0	0	0	111.6	G95 R112 I114 K304 N306 E307 I309	G95-A110 WeakPolarHBondContact O-CA 3.31Å; A110-R112 WeakPolarHBondContact CB-O 3.46Å; A110-I114 HydrophobicContact CB-CD1 4.06Å; A110-K304 WeakPolarHBondContact CB-O 3.29Å; A110-N306 WeakPolarHBondContact O-CA 3.38Å; A110-N306 PolarHBondContact O-N 3.2Å; A110-E307 PolarHBondContact N-O 2.96Å; A110-I309 HydrophobicContact CB-CD1 4.07Å; A110-I309 HydrophobicContact CB-CG1 4.05Å
111	T	98.3	Very high	96.8	Very high	62 Å²	62	56.6 Å²	56.6	38%	0.38	30%	0.301	S	S	.	.	S	Bend	trans	-107.8	4.8	175.2	59.5	0	0	0	0	113	G95 F96 T97	G95-T111 WeakPolarHBondContact CA-OG1 3.34Å; G95-T111 PolarHBondContact O-N 3.19Å; G95-T111 PolarHBondContact O-OG1 2.81Å; F96-T111 PolarHBondContact N-OG1 2.86Å; T97-T111 HydrophobicContact CG2-CG2 3.86Å
112	R	98.4	Very high	96.9	Very high	91 Å²	91	57.8 Å²	57.8	34%	0.343	30%	0.304	S	S	.	.	S	Bend	trans	-156	173.3	170.1	60.8	173.6	177.6	85	-4.5	108.2	A110 I114 E118	A110-R112 WeakPolarHBondContact CB-O 3.46Å; R112-I114 HydrophobicContact CG-CG1 4.48Å; R112-E118 IonicContact CZ-OE1 2.84Å; R112-E118 IonicContact NH1-OE1 3.37Å; R112-E118 PolarHBondContact NH1-OE1 3.4Å; R112-E118 IonicContact NH1-OE2 2.92Å; R112-E118 PolarHBondContact NH1-OE2 3.39Å; R112-E118 IonicContact NH2-OE1 3.11Å; R112-E118 PolarHBondContact NH2-OE1 3.46Å
113	D	98.6	Very high	97.1	Very high	94 Å²	94	55.3 Å²	55.3	50%	0.503	28%	0.278	S	S	.	.			trans	-66.1	134.3	167.4	-67.1	-1.5	0	0	0	110.4	Y303 K304 E305	D113-Y303 CarbonylContact C-O 3.22Å; D113-Y303 WeakPolarHBondContact CA-O 3.41Å; D113-K304 WeakPolarHBondContact OD1-CA 3.27Å; D113-E305 PolarHBondContact OD1-N 3.23Å
114	I	98.6	Very high	97.8	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-123.3	126.2	175.9	-58	172.1	0	0	0	107.1	A110 R112 E118 F120 A299 D302 Y303 I309	A110-I114 HydrophobicContact CB-CD1 4.06Å; R112-I114 HydrophobicContact CG-CG1 4.48Å; I114-E118 WeakPolarHBondContact CA-OE2 3.47Å; I114-E118 HydrophobicContact CG2-CB 4.17Å; I114-F120 HydrophobicContact CD1-CB 4.39Å; I114-F120 HydrophobicContact CD1-CD2 4.2Å; I114-F120 HydrophobicContact CD1-CG 4.38Å; I114-F120 HydrophobicContact CG2-CB 3.97Å; I114-F120 HydrophobicContact CG2-CD1 4.48Å; I114-F120 HydrophobicContact CG2-CG 4.26Å; I114-A299 HydrophobicContact CG2-CB 3.7Å; I114-D302 WeakPolarHBondContact O-CA 3.36Å; I114-Y303 PolarHBondContact N-O 3.24Å; I114-Y303 PolarHBondContact O-N 3.5Å; I114-I309 HydrophobicContact CD1-CD1 3.67Å; I114-I309 HydrophobicContact CD1-CG1 4.41Å
115	K	98.6	Very high	98.2	Very high	115 Å²	115	46 Å²	46	50%	0.5	23%	0.225	S	C	.	.			trans	-86	149.4	-179.5	-69.8	-54.3	-167.2	-175.8	0	112	E117 E118 A299 D302	K115-E117 PolarHBondContact O-N 3.27Å; K115-E118 HydrophobicContact CB-CB 4.46Å; K115-E118 PolarHBondContact N-OE2 3Å; K115-E118 WeakPolarHBondContact O-CB 3.15Å; K115-E118 PolarHBondContact O-N 3.11Å; K115-A299 VanDerWaalsContact O-CB 3.28Å; K115-A299 WeakPolarHBondContact O-CB 3.33Å; K115-D302 WeakPolarHBondContact CD-OD2 3.22Å; K115-D302 IonicContact NZ-OD2 3.85Å; K115-D302 PolarHBondContact NZ-OD2 3.45Å
116	A	98.3	Very high	98.3	Very high	43 Å²	43	51.3 Å²	51.3	36%	0.355	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	140.8	168.3	0	0	0	0	0	110.1	E118 D302	A116-E118 PolarHBondContact O-N 2.96Å; A116-E118 VanDerWaalsContact O-N 3.15Å; A116-D302 PolarHBondContact N-OD1 3.41Å
117	E	98.1	Very high	98.4	Very high	167 Å²	167	49 Å²	49	78%	0.78	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.1	0.2	-176.5	-51.2	177.8	-173.6	0	0	115.5	K115 L119 A299	K115-E117 PolarHBondContact O-N 3.27Å; E117-L119 PolarHBondContact O-N 3.13Å; E117-A299 PolarHBondContact N-O 2.94Å
118	E	98.4	Very high	98.4	Very high	54 Å²	54	49.2 Å²	49.2	25%	0.252	23%	0.234	S	C	.	.			trans	-68.9	125.1	173.1	-171.2	-173.4	143.2	0	0	110.7	R112 I114 K115 A116 F120 V298 A299	R112-E118 IonicContact CZ-OE1 2.84Å; R112-E118 IonicContact NH1-OE1 3.37Å; R112-E118 PolarHBondContact NH1-OE1 3.4Å; R112-E118 IonicContact NH1-OE2 2.92Å; R112-E118 PolarHBondContact NH1-OE2 3.39Å; R112-E118 IonicContact NH2-OE1 3.11Å; R112-E118 PolarHBondContact NH2-OE1 3.46Å; I114-E118 WeakPolarHBondContact CA-OE2 3.47Å; I114-E118 HydrophobicContact CG2-CB 4.17Å; K115-E118 HydrophobicContact CB-CB 4.46Å; K115-E118 PolarHBondContact N-OE2 3Å; K115-E118 WeakPolarHBondContact O-CB 3.15Å; K115-E118 PolarHBondContact O-N 3.11Å; A116-E118 PolarHBondContact O-N 2.96Å; A116-E118 VanDerWaalsContact O-N 3.15Å; E118-F120 PolarHBondContact O-N 3.29Å; E118-V298 CarbonylContact O-C 3.58Å; E118-V298 VanDerWaalsContact O-CA 3.27Å; E118-V298 WeakPolarHBondContact O-CA 3.48Å; E118-A299 PolarHBondContact O-N 3.39Å
119	L	98.4	Very high	98.4	Very high	64 Å²	64	49.2 Å²	49.2	34%	0.335	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	96.1	168.6	177.4	60.5	0	0	0	109.4	E117 W122 E296 V298	E117-L119 PolarHBondContact O-N 3.13Å; L119-W122 HydrophobicContact CD1-CE3 4.49Å; L119-W122 HydrophobicContact CD2-CE3 4.45Å; L119-W122 HydrophobicContact CG-CE3 4.13Å; L119-E296 HydrophobicContact CD1-CB 3.8Å; L119-E296 HydrophobicContact CD1-CG 4.21Å; L119-V298 HydrophobicContact CB-CG1 4.2Å; L119-V298 HydrophobicContact CD1-CG1 4.44Å
120	F	98.1	Very high	98.4	Very high	5 Å²	5	46 Å²	46	2%	0.022	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-20.7	-176.4	79.4	-80.7	0	0	0	113	F96 I114 E118 C297 A299 I309	F96-F120 HydrophobicContact CD1-CD2 4.01Å; F96-F120 HydrophobicContact CD1-CE2 4.37Å; F96-F120 HydrophobicContact CE1-CD2 4.3Å; I114-F120 HydrophobicContact CD1-CB 4.39Å; I114-F120 HydrophobicContact CD1-CD2 4.2Å; I114-F120 HydrophobicContact CD1-CG 4.38Å; I114-F120 HydrophobicContact CG2-CB 3.97Å; I114-F120 HydrophobicContact CG2-CD1 4.48Å; I114-F120 HydrophobicContact CG2-CG 4.26Å; E118-F120 PolarHBondContact O-N 3.29Å; F120-C297 WeakPolarHBondContact CD1-O 3.48Å; F120-C297 HydrophobicContact CE1-CB 4.33Å; F120-C297 PolarHBondContact N-O 2.85Å; F120-A299 HydrophobicContact CD1-CB 4.06Å; F120-A299 HydrophobicContact CE1-CB 4.34Å; F120-I309 HydrophobicContact CD2-CD1 4.38Å; F120-I309 HydrophobicContact CE1-CG2 4.4Å; F120-I309 HydrophobicContact CE2-CD1 4.03Å; F120-I309 HydrophobicContact CE2-CG2 3.82Å; F120-I309 HydrophobicContact CZ-CG2 3.57Å
121	L	98.3	Very high	98.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	126.1	-174	-178.7	57.4	0	0	0	112.4	S92 F96 L108 I123 L273 W274 C297	S92-L121 WeakPolarHBondContact OG-CA 3.32Å; S92-L121 WeakPolarHBondContact OG-CD1 3.38Å; F96-L121 HydrophobicContact CE1-CD1 3.96Å; F96-L121 HydrophobicContact CE2-CD1 4.5Å; F96-L121 HydrophobicContact CZ-CD1 3.6Å; L108-L121 HydrophobicContact CD1-CD2 4.07Å; L121-I123 HydrophobicContact CD1-CD1 3.84Å; L121-L273 HydrophobicContact CD1-CD2 4.2Å; L121-L273 HydrophobicContact CD1-CG 4.41Å; L121-W274 HydrophobicContact CD2-CB 4Å; L121-W274 HydrophobicContact CD2-CG 4.33Å; L121-C297 HydrophobicContact CB-CB 4.19Å; L121-C297 PolarHBondContact N-O 2.74Å; L121-C297 PolarHBondContact O-N 3.13Å
122	W	98.6	Very high	98.4	Very high	78 Å²	78	46 Å²	46	30%	0.295	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.7	170.9	62.3	83.6	0	0	0	112.5	G90 A91 S92 L119 C295 E296	G90-W122 PolarHBondContact O-NE1 3.01Å; G90-W122 VanDerWaalsContact O-NE1 3.14Å; A91-W122 VanDerWaalsContact CA-O 3.3Å; A91-W122 WeakPolarHBondContact CA-O 3.01Å; A91-W122 WeakPolarHBondContact CB-O 3.37Å; S92-W122 PolarHBondContact N-O 3.32Å; S92-W122 VanDerWaalsContact N-O 3.15Å; S92-W122 PolarHBondContact OG-N 3.12Å; S92-W122 PolarHBondContact OG-O 3.4Å; L119-W122 HydrophobicContact CD1-CE3 4.49Å; L119-W122 HydrophobicContact CD2-CE3 4.45Å; L119-W122 HydrophobicContact CG-CE3 4.13Å; W122-C295 CarbonylContact C-O 3.57Å; W122-C295 WeakPolarHBondContact CA-O 3.49Å; W122-C295 WeakPolarHBondContact CB-O 3.36Å; W122-E296 HydrophobicContact CB-CG 4.2Å
123	I	98.7	Very high	98.3	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	110.3	-176	-49.1	-62.9	0	0	0	109.9	A91 L121 M127 L128 I271 P272 L273 W274 R294 C295	A91-I123 HydrophobicContact CB-CD1 3.91Å; L121-I123 HydrophobicContact CD1-CD1 3.84Å; I123-M127 HydrophobicContact CG2-CB 4.02Å; I123-M127 HydrophobicContact CG2-CE 4.21Å; I123-M127 HydrophobicContact CG2-SD 4.17Å; I123-L128 HydrophobicContact CB-CD1 4.4Å; I123-L128 HydrophobicContact CG2-CD1 3.61Å; I123-I271 HydrophobicContact CB-CG2 4Å; I123-I271 HydrophobicContact CG1-CG2 4.01Å; I123-I271 HydrophobicContact CG2-CG2 4.09Å; I123-P272 WeakPolarHBondContact CD1-O 3.3Å; I123-L273 HydrophobicContact CD1-CB 3.9Å; I123-L273 HydrophobicContact CD1-CD2 4.05Å; I123-L273 HydrophobicContact CD1-CG 4.33Å; I123-W274 HydrophobicContact CG1-CB 3.92Å; I123-R294 CarbonylContact O-C 3.48Å; I123-R294 WeakPolarHBondContact O-CA 3.48Å; I123-R294 WeakPolarHBondContact O-CB 3.37Å; I123-C295 HydrophobicContact CB-CB 4.34Å; I123-C295 PolarHBondContact N-O 3.26Å; I123-C295 PolarHBondContact O-N 3.36Å
124	P	98.6	Very high	98.3	Very high	25 Å²	25	38.2 Å²	38.2	16%	0.162	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	144.9	177.1	-27.1	37.6	0	0	0	113.6	N89 K126 M127 L128	N89-P124 WeakPolarHBondContact O-CG 3.31Å; P124-K126 PolarHBondContact O-N 2.9Å; P124-K126 VanDerWaalsContact O-N 3.09Å; P124-M127 WeakPolarHBondContact O-CB 3.42Å; P124-M127 PolarHBondContact O-N 2.93Å; P124-L128 WeakPolarHBondContact O-CD1 3.33Å
125	R	98.3	Very high	98.2	Very high	15 Å²	15	41.7 Å²	41.7	6%	0.057	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-49.5	-41.1	-178.5	-177.4	171.3	-73.5	-86.3	-2.4	113.7	M127 L128 P259 E261 Y288 D293	R125-M127 PolarHBondContact O-N 2.91Å; R125-L128 WeakPolarHBondContact O-CB 3.38Å; R125-L128 PolarHBondContact O-N 3.42Å; R125-P259 PolarHBondContact NH1-O 2.9Å; R125-P259 PolarHBondContact NH2-O 3.22Å; R125-E261 VanDerWaalsContact CD-CG 3.46Å; R125-Y288 WeakPolarHBondContact CB-OH 3.41Å; R125-Y288 PolarHBondContact NE-OH 3.17Å; R125-Y288 VanDerWaalsContact NH2-CE1 3.28Å; R125-Y288 PolarHBondContact NH2-OH 2.61Å; R125-D293 WeakPolarHBondContact CB-O 3.44Å; R125-D293 WeakPolarHBondContact CB-OD2 3.35Å; R125-D293 WeakPolarHBondContact CD-OD1 3.39Å; R125-D293 WeakPolarHBondContact CD-OD2 3.39Å; R125-D293 IonicContact CZ-OD1 2.78Å; R125-D293 PolarHBondContact N-O 3.4Å; R125-D293 IonicContact NE-OD1 3.97Å; R125-D293 PolarHBondContact NE-OD1 3.33Å; R125-D293 IonicContact NE-OD2 3.23Å; R125-D293 IonicContact NH2-OD1 3.44Å
126	K	97.6	Very high	98.1	Very high	137 Å²	137	43 Å²	43	60%	0.596	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-54	-29	-177.8	-176.6	-174	170.4	-147.1	0	112.9	N89 P124 F171	N89-K126 PolarHBondContact OD1-NZ 3.15Å; P124-K126 PolarHBondContact O-N 2.9Å; P124-K126 VanDerWaalsContact O-N 3.09Å; K126-F171 HydrophobicContact CG-CE1 4.47Å; K126-F171 HydrophobicContact CG-CZ 4.3Å; K126-F171 VanDerWaalsContact O-CE1 3.31Å; K126-F171 WeakPolarHBondContact O-CE1 3.29Å
127	M	98.6	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-78.3	-22.4	178.4	-69.2	175.2	61	0	0	113.4	W85 A86 N89 A91 I123 P124 R125 W172 P272	W85-M127 HydrophobicContact CE3-CE 3.78Å; W85-M127 HydrophobicContact CH2-CB 3.76Å; W85-M127 HydrophobicContact CH2-CE 3.94Å; W85-M127 HydrophobicContact CH2-CG 3.93Å; W85-M127 HydrophobicContact CZ2-CB 4.38Å; W85-M127 HydrophobicContact CZ2-CG 4.24Å; W85-M127 HydrophobicContact CZ3-CB 4.33Å; W85-M127 HydrophobicContact CZ3-CE 3.36Å; W85-M127 HydrophobicContact CZ3-CG 4.32Å; A86-M127 HydrophobicContact CB-CE 3.61Å; N89-M127 HydrophobicContact CB-CG 3.61Å; N89-M127 HydrophobicContact CB-SD 3.73Å; A91-M127 HydrophobicContact CB-CE 3.95Å; A91-M127 HydrophobicContact CB-SD 3.63Å; I123-M127 HydrophobicContact CG2-CB 4.02Å; I123-M127 HydrophobicContact CG2-CE 4.21Å; I123-M127 HydrophobicContact CG2-SD 4.17Å; P124-M127 WeakPolarHBondContact O-CB 3.42Å; P124-M127 PolarHBondContact O-N 2.93Å; R125-M127 PolarHBondContact O-N 2.91Å; M127-W172 VanDerWaalsContact O-CD1 3.24Å; M127-W172 PolarHBondContact O-NE1 3.5Å; M127-W172 VanDerWaalsContact O-NE1 3.14Å; M127-P272 WeakPolarHBondContact O-CG 3.5Å
128	L	98.7	Very high	97.9	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	19%	0.191	C	C	.	.	S	Bend	trans	-71.5	150.1	-176.2	-79.9	54.9	0	0	0	110.9	I123 P124 R125 T130 W172 I258 A269 L270 I271	I123-L128 HydrophobicContact CB-CD1 4.4Å; I123-L128 HydrophobicContact CG2-CD1 3.61Å; P124-L128 WeakPolarHBondContact O-CD1 3.33Å; R125-L128 WeakPolarHBondContact O-CB 3.38Å; R125-L128 PolarHBondContact O-N 3.42Å; L128-T130 HydrophobicContact CB-CG2 3.89Å; L128-W172 PolarHBondContact O-NE1 2.87Å; L128-W172 VanDerWaalsContact O-NE1 3.16Å; L128-I258 HydrophobicContact CD2-CD1 3.52Å; L128-A269 HydrophobicContact CB-CB 4.43Å; L128-A269 HydrophobicContact CD2-CB 3.94Å; L128-A269 HydrophobicContact CG-CB 4.43Å; L128-L270 WeakPolarHBondContact CA-O 3.25Å; L128-L270 WeakPolarHBondContact CB-O 3.32Å; L128-L270 WeakPolarHBondContact CG-O 3.29Å; L128-I271 HydrophobicContact CD1-CG2 4.06Å; L128-I271 HydrophobicContact CD2-CG1 4.02Å; L128-I271 HydrophobicContact CG-CB 4.37Å; L128-I271 HydrophobicContact CG-CG1 4.03Å; L128-I271 HydrophobicContact CG-CG2 4.37Å
129	M	98.8	Very high	97.8	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	114.9	164.2	-58.7	-174.1	72.8	0	0	107.9	L157 L161 E164 W172 Y175 I176 A269 L270	M129-L157 WeakPolarHBondContact O-CD2 3.5Å; M129-L161 HydrophobicContact CE-CD1 4.26Å; M129-L161 HydrophobicContact SD-CD1 3.9Å; M129-E164 HydrophobicContact CE-CB 3.93Å; M129-E164 HydrophobicContact CE-CG 3.7Å; M129-W172 HydrophobicContact CE-CD2 4.43Å; M129-W172 HydrophobicContact CE-CG 4.44Å; M129-W172 HydrophobicContact CG-CB 4.27Å; M129-W172 VanDerWaalsContact CG-CD1 3.42Å; M129-W172 HydrophobicContact CG-CD2 3.98Å; M129-W172 HydrophobicContact CG-CG 3.65Å; M129-W172 HydrophobicContact SD-CB 4.02Å; M129-W172 HydrophobicContact SD-CG 4.03Å; M129-Y175 HydrophobicContact SD-CD1 4Å; M129-Y175 HydrophobicContact SD-CE1 3.95Å; M129-I176 HydrophobicContact CE-CD1 4.49Å; M129-I176 HydrophobicContact SD-CD1 4.46Å; M129-I176 HydrophobicContact SD-CG1 4.43Å; M129-A269 CarbonylContact O-C 3.55Å; M129-A269 VanDerWaalsContact O-CA 3.24Å; M129-A269 WeakPolarHBondContact O-CA 3.4Å; M129-L270 HydrophobicContact CB-CB 4.24Å; M129-L270 HydrophobicContact CB-CD1 4.48Å; M129-L270 PolarHBondContact N-O 3.3Å; M129-L270 VanDerWaalsContact N-O 3.13Å; M129-L270 PolarHBondContact O-N 2.77Å; M129-L270 HydrophobicContact SD-CD1 4.42Å
130	T	98.6	Very high	97.7	Very high	9 Å²	9	33.6 Å²	33.6	6%	0.055	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	172.2	-175	78.9	0	0	0	0	111.9	L128 E132 S133 A134 L157 I258 L268 A269	L128-T130 HydrophobicContact CB-CG2 3.89Å; T130-E132 WeakPolarHBondContact CB-OE2 3.35Å; T130-E132 PolarHBondContact O-N 3.39Å; T130-E132 PolarHBondContact OG1-N 3.38Å; T130-E132 VanDerWaalsContact OG1-N 3.16Å; T130-E132 PolarHBondContact OG1-OE2 3.02Å; T130-S133 PolarHBondContact N-OG 3.4Å; T130-S133 PolarHBondContact O-N 3.41Å; T130-S133 PolarHBondContact O-OG 3.42Å; T130-S133 PolarHBondContact OG1-N 3.49Å; T130-S133 VanDerWaalsContact OG1-N 3.11Å; T130-A134 PolarHBondContact O-N 3.46Å; T130-L157 VanDerWaalsContact C-CD2 3.45Å; T130-I258 HydrophobicContact CG2-CD1 4.28Å; T130-L268 WeakPolarHBondContact CA-O 3.41Å; T130-A269 HydrophobicContact CG2-CB 3.85Å
131	V	98	Very high	97.7	Very high	13 Å²	13	37 Å²	37	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-63.6	-32.4	171.7	-178.3	0	0	0	0	110.7	A134 Q135 Y143 T156 L157 L268	V131-A134 WeakPolarHBondContact O-CB 3.41Å; V131-A134 PolarHBondContact O-N 2.97Å; V131-Q135 VanDerWaalsContact O-CG 3.31Å; V131-Q135 WeakPolarHBondContact O-CG 3.47Å; V131-Q135 PolarHBondContact O-N 3.12Å; V131-Y143 HydrophobicContact CG1-CE2 4.33Å; V131-T156 HydrophobicContact CG1-CG2 4.15Å; V131-L157 HydrophobicContact CG2-CG 4.25Å; V131-L268 HydrophobicContact CG2-CB 4.21Å; V131-L268 PolarHBondContact N-O 3Å
132	E	97.3	Very high	97.6	Very high	49 Å²	49	37 Å²	37	23%	0.229	19%	0.193	C	C	.	.	H	α-helix	trans	-68.3	-44.9	175	-59	74.6	-163.1	0	0	111.9	T130 A134 Q135 N136 T267	T130-E132 WeakPolarHBondContact CB-OE2 3.35Å; T130-E132 PolarHBondContact O-N 3.39Å; T130-E132 PolarHBondContact OG1-N 3.38Å; T130-E132 VanDerWaalsContact OG1-N 3.16Å; T130-E132 PolarHBondContact OG1-OE2 3.02Å; E132-A134 PolarHBondContact O-N 3.07Å; E132-Q135 WeakPolarHBondContact O-CB 3.44Å; E132-Q135 PolarHBondContact O-N 3.02Å; E132-Q135 VanDerWaalsContact O-N 3.13Å; E132-N136 PolarHBondContact O-N 2.81Å; E132-N136 PolarHBondContact O-ND2 3.5Å; E132-T267 VanDerWaalsContact CD-OG1 3.27Å; E132-T267 WeakPolarHBondContact OE1-CB 3.3Å; E132-T267 WeakPolarHBondContact OE1-CG2 3.37Å; E132-T267 PolarHBondContact OE1-OG1 2.84Å; E132-T267 WeakPolarHBondContact OE2-CG2 3.08Å; E132-T267 PolarHBondContact OE2-OG1 3.45Å
133	S	98	Very high	97.6	Very high	20 Å²	20	35.2 Å²	35.2	14%	0.14	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-35.1	175.3	72.4	0	0	0	0	111.2	T130 N136 S137 H160	T130-S133 PolarHBondContact N-OG 3.4Å; T130-S133 PolarHBondContact O-N 3.41Å; T130-S133 PolarHBondContact O-OG 3.42Å; T130-S133 PolarHBondContact OG1-N 3.49Å; T130-S133 VanDerWaalsContact OG1-N 3.11Å; S133-N136 CarbonylContact O-C 3.58Å; S133-N136 PolarHBondContact O-N 3.4Å; S133-S137 WeakPolarHBondContact O-CB 3.3Å; S133-S137 PolarHBondContact O-N 2.79Å; S133-S137 VanDerWaalsContact O-N 3.11Å; S133-H160 PolarHBondContact OG-CD2 3.44Å; S133-H160 PolarHBondContact OG-NE2 3.39Å
134	A	97.8	Very high	97.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-44.5	172.9	0	0	0	0	0	112.3	T130 V131 E132 N136 S137 T156 H160	T130-A134 PolarHBondContact O-N 3.46Å; V131-A134 WeakPolarHBondContact O-CB 3.41Å; V131-A134 PolarHBondContact O-N 2.97Å; E132-A134 PolarHBondContact O-N 3.07Å; A134-N136 VanDerWaalsContact C-N 3.26Å; A134-N136 PolarHBondContact O-N 2.75Å; A134-S137 PolarHBondContact O-N 2.85Å; A134-S137 PolarHBondContact O-OG 3.1Å; A134-T156 HydrophobicContact CB-CG2 3.64Å; A134-H160 HydrophobicContact CB-CB 3.6Å
135	Q	96.8	Very high	97.3	Very high	76 Å²	76	42.1 Å²	42.1	36%	0.355	23%	0.229	S	C	.	.	H	α-helix	trans	-61.7	-34.8	176.1	-71.8	173.8	41.6	0	0	112.5	V131 E132 S137 G140 Y143	V131-Q135 VanDerWaalsContact O-CG 3.31Å; V131-Q135 WeakPolarHBondContact O-CG 3.47Å; V131-Q135 PolarHBondContact O-N 3.12Å; E132-Q135 WeakPolarHBondContact O-CB 3.44Å; E132-Q135 PolarHBondContact O-N 3.02Å; E132-Q135 VanDerWaalsContact O-N 3.13Å; Q135-S137 VanDerWaalsContact C-N 3.32Å; Q135-G140 WeakPolarHBondContact O-CA 3.23Å; Q135-Y143 HydrophobicContact CG-CD1 3.61Å; Q135-Y143 HydrophobicContact CG-CD2 4.24Å; Q135-Y143 HydrophobicContact CG-CE1 3.47Å; Q135-Y143 VanDerWaalsContact CG-CE1 3.47Å; Q135-Y143 HydrophobicContact CG-CE2 4.14Å; Q135-Y143 HydrophobicContact CG-CG 4Å; Q135-Y143 PolarHBondContact NE2-OH 3.27Å
136	N	96.9	Very high	97.3	Very high	141 Å²	141	41.6 Å²	41.6	75%	0.754	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	0.7	-179.8	-65.3	-34.1	0	0	0	113.7	E132 S133 A134	E132-N136 PolarHBondContact O-N 2.81Å; E132-N136 PolarHBondContact O-ND2 3.5Å; S133-N136 CarbonylContact O-C 3.58Å; S133-N136 PolarHBondContact O-N 3.4Å; A134-N136 VanDerWaalsContact C-N 3.26Å; A134-N136 PolarHBondContact O-N 2.75Å
137	S	96.8	Very high	97.3	Very high	23 Å²	23	45.2 Å²	45.2	16%	0.161	24%	0.237	C	C	.	.	S	Bend	trans	-94.5	-173.9	-179.8	78.1	0	0	0	0	112.9	S133 A134 Q135 L139 G140	S133-S137 WeakPolarHBondContact O-CB 3.3Å; S133-S137 PolarHBondContact O-N 2.79Å; S133-S137 VanDerWaalsContact O-N 3.11Å; A134-S137 PolarHBondContact O-N 2.85Å; A134-S137 PolarHBondContact O-OG 3.1Å; Q135-S137 VanDerWaalsContact C-N 3.32Å; S137-L139 PolarHBondContact O-N 3.14Å; S137-L139 VanDerWaalsContact OG-CB 3.3Å; S137-L139 WeakPolarHBondContact OG-CB 3.48Å; S137-L139 PolarHBondContact OG-N 3.42Å; S137-L139 VanDerWaalsContact OG-N 3.09Å; S137-G140 PolarHBondContact O-N 2.71Å
138	L	94.5	Very high	97.2	Very high	94 Å²	94	47.6 Å²	47.6	49%	0.492	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-21.7	169.6	-68.2	177.8	0	0	0	113.2	P141 L233	L138-P141 WeakPolarHBondContact O-CD 3.42Å; L138-L233 HydrophobicContact CB-CD2 4.09Å; L138-L233 VanDerWaalsContact O-CD2 3.25Å; L138-L233 WeakPolarHBondContact O-CD2 3.37Å
139	L	96.6	Very high	97.2	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-20.1	178.9	-167.9	61.7	0	0	0	113.3	S137 L142 Y143 M149 L159 H160 L233	S137-L139 PolarHBondContact O-N 3.14Å; S137-L139 VanDerWaalsContact OG-CB 3.3Å; S137-L139 WeakPolarHBondContact OG-CB 3.48Å; S137-L139 PolarHBondContact OG-N 3.42Å; S137-L139 VanDerWaalsContact OG-N 3.09Å; L139-L142 HydrophobicContact CD1-CB 4.49Å; L139-L142 HydrophobicContact CD1-CD2 4.25Å; L139-L142 PolarHBondContact O-N 3.22Å; L139-Y143 PolarHBondContact O-N 2.88Å; L139-M149 HydrophobicContact CD1-CE 3.64Å; L139-M149 HydrophobicContact CD2-CE 3.66Å; L139-M149 HydrophobicContact CG-CE 3.5Å; L139-L159 HydrophobicContact CD1-CB 4.38Å; L139-L159 HydrophobicContact CD2-CB 3.78Å; L139-H160 HydrophobicContact CD2-CB 4.15Å; L139-L233 HydrophobicContact CD1-CD1 4.02Å; L139-L233 HydrophobicContact CD1-CD2 4.39Å
140	G	97.4	Very high	97.1	Very high	14 Å²	14	51.9 Å²	51.9	14%	0.144	27%	0.27	C	S	.	.	H	α-helix	trans	-50.6	-49.1	-175.7	0	0	0	0	0	115.7	Q135 S137 L142 Y143 G144	Q135-G140 WeakPolarHBondContact O-CA 3.23Å; S137-G140 PolarHBondContact O-N 2.71Å; G140-L142 VanDerWaalsContact C-N 3.26Å; G140-L142 PolarHBondContact O-N 3.36Å; G140-Y143 WeakPolarHBondContact O-CB 3.36Å; G140-Y143 PolarHBondContact O-N 3.45Å; G140-G144 PolarHBondContact O-N 2.98Å
141	P	97.2	Very high	97	Very high	75 Å²	75	55.4 Å²	55.4	49%	0.487	30%	0.3	S	S	.	.	H	α-helix	trans	-60	-33.2	178	-27.2	36.2	0	0	0	114.3	L138 Q145 A229	L138-P141 WeakPolarHBondContact O-CD 3.42Å; P141-Q145 PolarHBondContact O-NE2 3.06Å; P141-A229 HydrophobicContact CB-CB 4.25Å
142	L	97.1	Very high	97	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.016	31%	0.311	C	S	.	.	H	α-helix	trans	-77.8	-43.1	176.1	-173.6	65.2	0	0	0	110.7	L139 G140 G144 Q145 D146 M149 L223 H227 A229 A230 L233	L139-L142 HydrophobicContact CD1-CB 4.49Å; L139-L142 HydrophobicContact CD1-CD2 4.25Å; L139-L142 PolarHBondContact O-N 3.22Å; G140-L142 VanDerWaalsContact C-N 3.26Å; G140-L142 PolarHBondContact O-N 3.36Å; L142-G144 VanDerWaalsContact C-N 3.28Å; L142-G144 PolarHBondContact O-N 2.93Å; L142-Q145 PolarHBondContact O-N 3.28Å; L142-D146 PolarHBondContact O-N 3.05Å; L142-D146 VanDerWaalsContact O-N 3.08Å; L142-M149 HydrophobicContact CD2-SD 4.28Å; L142-M149 HydrophobicContact CG-SD 4.15Å; L142-L223 HydrophobicContact CD1-CD1 4.48Å; L142-L223 HydrophobicContact CD1-CD2 3.96Å; L142-L223 HydrophobicContact CD1-CG 4.09Å; L142-L223 HydrophobicContact CD2-CD2 4.18Å; L142-L223 HydrophobicContact CG-CD2 4.27Å; L142-H227 HydrophobicContact CD1-CB 4.33Å; L142-A229 HydrophobicContact CB-CB 4.44Å; L142-A229 HydrophobicContact CD1-CB 4.29Å; L142-A230 HydrophobicContact CD1-CB 4.41Å; L142-A230 HydrophobicContact CD2-CB 4.26Å; L142-L233 HydrophobicContact CD2-CD1 3.72Å
143	Y	97.3	Very high	97	Very high	39 Å²	39	56.4 Å²	56.4	15%	0.153	31%	0.31	C	S	.	.	H	α-helix	trans	-53.7	-43.9	175.3	174.9	-85.8	0	0	0	112.3	V131 Q135 L139 G140 Q145 D146 M149 Q150 T156	V131-Y143 HydrophobicContact CG1-CE2 4.33Å; Q135-Y143 HydrophobicContact CG-CD1 3.61Å; Q135-Y143 HydrophobicContact CG-CD2 4.24Å; Q135-Y143 HydrophobicContact CG-CE1 3.47Å; Q135-Y143 VanDerWaalsContact CG-CE1 3.47Å; Q135-Y143 HydrophobicContact CG-CE2 4.14Å; Q135-Y143 HydrophobicContact CG-CG 4Å; Q135-Y143 PolarHBondContact NE2-OH 3.27Å; L139-Y143 PolarHBondContact O-N 2.88Å; G140-Y143 WeakPolarHBondContact O-CB 3.36Å; G140-Y143 PolarHBondContact O-N 3.45Å; Y143-Q145 PolarHBondContact O-N 3.34Å; Y143-D146 PolarHBondContact O-N 3.47Å; Y143-M149 HydrophobicContact CD2-CB 3.9Å; Y143-M149 HydrophobicContact CD2-CE 4.24Å; Y143-M149 HydrophobicContact CE2-CB 4.43Å; Y143-M149 WeakPolarHBondContact CE2-O 3.27Å; Y143-Q150 HydrophobicContact CD1-CG 4.49Å; Y143-Q150 HydrophobicContact CE1-CG 4.07Å; Y143-Q150 HydrophobicContact CE2-CG 4.4Å; Y143-Q150 WeakPolarHBondContact O-CG 3.43Å; Y143-Q150 PolarHBondContact O-NE2 3.22Å; Y143-T156 HydrophobicContact CD2-CG2 3.8Å; Y143-T156 HydrophobicContact CE2-CG2 4.02Å
144	G	95.6	Very high	97	Very high	48 Å²	48	58.4 Å²	58.4	50%	0.495	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.7	179.1	0	0	0	0	0	114.7	G140 L142 Q150	G140-G144 PolarHBondContact O-N 2.98Å; L142-G144 VanDerWaalsContact C-N 3.28Å; L142-G144 PolarHBondContact O-N 2.93Å; G144-Q150 VanDerWaalsContact C-NE2 3.33Å; G144-Q150 PolarHBondContact O-NE2 3.06Å; G144-Q150 VanDerWaalsContact O-NE2 3.14Å
145	Q	96.3	Very high	97.1	Very high	123 Å²	123	58.5 Å²	58.5	58%	0.575	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-13.1	-174.4	-63.2	178.7	57.1	0	0	113.5	P141 L142 Y143 H227	P141-Q145 PolarHBondContact O-NE2 3.06Å; L142-Q145 PolarHBondContact O-N 3.28Å; Y143-Q145 PolarHBondContact O-N 3.34Å; Q145-H227 PolarHBondContact OE1-CE1 3.34Å
146	D	97.6	Very high	97.1	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	30%	0.302	C	S	.	.			trans	-105.7	122.8	-177.6	-172.5	-91.3	0	0	0	112.6	L142 Y143 I148 M149 Q150 Y219 L223	L142-D146 PolarHBondContact O-N 3.05Å; L142-D146 VanDerWaalsContact O-N 3.08Å; Y143-D146 PolarHBondContact O-N 3.47Å; D146-I148 WeakPolarHBondContact OD1-CA 3.08Å; D146-I148 WeakPolarHBondContact OD1-CB 3.39Å; D146-I148 PolarHBondContact OD1-N 3.29Å; D146-M149 HydrophobicContact CB-CB 4.19Å; D146-M149 HydrophobicContact CB-CG 4.11Å; D146-M149 HydrophobicContact CB-SD 3.9Å; D146-M149 WeakPolarHBondContact OD1-CG 3.44Å; D146-M149 PolarHBondContact OD1-N 2.93Å; D146-Q150 VanDerWaalsContact O-CG 3.31Å; D146-Q150 WeakPolarHBondContact O-CG 3.38Å; D146-Q150 PolarHBondContact O-N 2.81Å; D146-Y219 WeakPolarHBondContact OD2-CE1 3.47Å; D146-Y219 PolarHBondContact OD2-OH 3.42Å; D146-L223 HydrophobicContact CB-CD2 4.26Å; D146-L223 WeakPolarHBondContact OD2-CD2 3.35Å
147	R	97.3	Very high	97.2	Very high	213 Å²	213	48.2 Å²	48.2	80%	0.804	27%	0.267	S	S	*	.	H	α-helix	trans	-72.8	-30	-177.3	-65.1	-177.8	-177	179.5	0.1	113.4	A151	R147-A151 VanDerWaalsContact O-CB 3.3Å; R147-A151 WeakPolarHBondContact O-CB 3.4Å; R147-A151 PolarHBondContact O-N 3.43Å
148	I	97.4	Very high	97.3	Very high	50 Å²	50	47.1 Å²	47.1	26%	0.256	26%	0.259	S	S	.	.	H	α-helix	trans	-69.9	-45.2	-179.5	-64.3	-176.8	0	0	0	108.6	D146 Q150 A151 M152 V155 Y219 F220	D146-I148 WeakPolarHBondContact OD1-CA 3.08Å; D146-I148 WeakPolarHBondContact OD1-CB 3.39Å; D146-I148 PolarHBondContact OD1-N 3.29Å; I148-Q150 VanDerWaalsContact C-N 3.33Å; I148-Q150 PolarHBondContact O-N 3.36Å; I148-A151 PolarHBondContact O-N 2.89Å; I148-M152 HydrophobicContact CG2-CG 4.37Å; I148-M152 HydrophobicContact CG2-SD 3.82Å; I148-M152 VanDerWaalsContact O-CB 3.24Å; I148-M152 WeakPolarHBondContact O-CB 3.25Å; I148-M152 PolarHBondContact O-N 3.44Å; I148-V155 HydrophobicContact CG2-CG1 4.38Å; I148-Y219 HydrophobicContact CD1-CD1 3.85Å; I148-Y219 HydrophobicContact CD1-CD2 4.35Å; I148-Y219 HydrophobicContact CD1-CE1 3.64Å; I148-Y219 HydrophobicContact CD1-CE2 4.15Å; I148-Y219 HydrophobicContact CD1-CG 4.2Å; I148-Y219 HydrophobicContact CG1-CE1 4.33Å; I148-F220 HydrophobicContact CB-CZ 4.07Å; I148-F220 HydrophobicContact CG2-CE2 4.11Å; I148-F220 HydrophobicContact CG2-CZ 3.77Å
149	M	97.4	Very high	97.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-42	176	-68.6	176.8	69.4	0	0	112.5	L139 L142 Y143 D146 T156 L159 F220	L139-M149 HydrophobicContact CD1-CE 3.64Å; L139-M149 HydrophobicContact CD2-CE 3.66Å; L139-M149 HydrophobicContact CG-CE 3.5Å; L142-M149 HydrophobicContact CD2-SD 4.28Å; L142-M149 HydrophobicContact CG-SD 4.15Å; Y143-M149 HydrophobicContact CD2-CB 3.9Å; Y143-M149 HydrophobicContact CD2-CE 4.24Å; Y143-M149 HydrophobicContact CE2-CB 4.43Å; Y143-M149 WeakPolarHBondContact CE2-O 3.27Å; D146-M149 HydrophobicContact CB-CB 4.19Å; D146-M149 HydrophobicContact CB-CG 4.11Å; D146-M149 HydrophobicContact CB-SD 3.9Å; D146-M149 WeakPolarHBondContact OD1-CG 3.44Å; D146-M149 PolarHBondContact OD1-N 2.93Å; M149-T156 VanDerWaalsContact C-OG1 3.31Å; M149-T156 VanDerWaalsContact CA-OG1 3.26Å; M149-T156 WeakPolarHBondContact CA-OG1 3.44Å; M149-T156 WeakPolarHBondContact CB-OG1 3.43Å; M149-T156 PolarHBondContact O-OG1 2.95Å; M149-L159 HydrophobicContact CE-CD1 4.08Å; M149-L159 HydrophobicContact CG-CD1 4.1Å; M149-L159 HydrophobicContact SD-CD1 3.93Å; M149-F220 HydrophobicContact CG-CE1 3.73Å; M149-F220 HydrophobicContact CG-CZ 3.94Å; M149-F220 HydrophobicContact SD-CE1 4.03Å
150	Q	96.9	Very high	97.6	Very high	94 Å²	94	42.7 Å²	42.7	44%	0.439	24%	0.236	S	C	.	.	H	α-helix	trans	-66.9	-35.3	177.5	-70.7	171	-0.6	0	0	113.3	Y143 G144 D146 I148	Y143-Q150 HydrophobicContact CD1-CG 4.49Å; Y143-Q150 HydrophobicContact CE1-CG 4.07Å; Y143-Q150 HydrophobicContact CE2-CG 4.4Å; Y143-Q150 WeakPolarHBondContact O-CG 3.43Å; Y143-Q150 PolarHBondContact O-NE2 3.22Å; G144-Q150 VanDerWaalsContact C-NE2 3.33Å; G144-Q150 PolarHBondContact O-NE2 3.06Å; G144-Q150 VanDerWaalsContact O-NE2 3.14Å; D146-Q150 VanDerWaalsContact O-CG 3.31Å; D146-Q150 WeakPolarHBondContact O-CG 3.38Å; D146-Q150 PolarHBondContact O-N 2.81Å; I148-Q150 VanDerWaalsContact C-N 3.33Å; I148-Q150 PolarHBondContact O-N 3.36Å
151	A	97.3	Very high	97.7	Very high	84 Å²	84	42 Å²	42	69%	0.694	23%	0.229	S	C	*	.	H	α-helix	trans	-86	-22.8	-179.2	0	0	0	0	0	113.5	R147 I148	R147-A151 VanDerWaalsContact O-CB 3.3Å; R147-A151 WeakPolarHBondContact O-CB 3.4Å; R147-A151 PolarHBondContact O-N 3.43Å; I148-A151 PolarHBondContact O-N 2.89Å
152	M	97.8	Very high	97.8	Very high	64 Å²	64	38.8 Å²	38.8	32%	0.315	21%	0.208	S	C	.	.			trans	-126.5	88	-170.2	-58	-173.3	72.1	0	0	111	I148 N154 V155 T156	I148-M152 HydrophobicContact CG2-CG 4.37Å; I148-M152 HydrophobicContact CG2-SD 3.82Å; I148-M152 VanDerWaalsContact O-CB 3.24Å; I148-M152 WeakPolarHBondContact O-CB 3.25Å; I148-M152 PolarHBondContact O-N 3.44Å; M152-N154 VanDerWaalsContact C-N 3.26Å; M152-N154 PolarHBondContact O-N 3.27Å; M152-V155 HydrophobicContact CB-CB 3.96Å; M152-V155 HydrophobicContact CB-CG2 3.87Å; M152-V155 HydrophobicContact CE-CG2 3.91Å; M152-V155 PolarHBondContact O-N 3.45Å; M152-V155 VanDerWaalsContact O-N 3.12Å; M152-V155 HydrophobicContact SD-CG2 4.14Å; M152-T156 PolarHBondContact O-N 3.13Å; M152-T156 VanDerWaalsContact O-N 3.1Å
153	G	97.8	Very high	97.8	Very high	19 Å²	19	38.9 Å²	38.9	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-58.4	-34.6	-180	0	0	0	0	0	113.9	V155 T156 L157	G153-V155 PolarHBondContact O-N 3.4Å; G153-T156 WeakPolarHBondContact O-CB 3.48Å; G153-T156 PolarHBondContact O-N 2.99Å; G153-L157 PolarHBondContact O-N 3.19Å
154	N	98	Very high	97.9	Very high	61 Å²	61	38 Å²	38	33%	0.326	21%	0.205	S	C	.	.	H	α-helix	trans	-63.5	-39.8	175.9	59.4	-22.5	0	0	0	112.7	M152 L157 A158 V251 Q255 L268	M152-N154 VanDerWaalsContact C-N 3.26Å; M152-N154 PolarHBondContact O-N 3.27Å; N154-L157 PolarHBondContact O-N 3.35Å; N154-A158 PolarHBondContact O-N 2.86Å; N154-A158 VanDerWaalsContact O-N 3.08Å; N154-V251 HydrophobicContact CB-CG1 4.15Å; N154-Q255 VanDerWaalsContact CB-OE1 3.29Å; N154-L268 HydrophobicContact CB-CD1 3.97Å
155	V	98.3	Very high	98	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-67.6	-41.4	174.5	171.3	0	0	0	0	110.4	I148 M152 G153 A158 L159 F220	I148-V155 HydrophobicContact CG2-CG1 4.38Å; M152-V155 HydrophobicContact CB-CB 3.96Å; M152-V155 HydrophobicContact CB-CG2 3.87Å; M152-V155 HydrophobicContact CE-CG2 3.91Å; M152-V155 PolarHBondContact O-N 3.45Å; M152-V155 VanDerWaalsContact O-N 3.12Å; M152-V155 HydrophobicContact SD-CG2 4.14Å; G153-V155 PolarHBondContact O-N 3.4Å; V155-A158 PolarHBondContact O-N 3.37Å; V155-L159 HydrophobicContact CG1-CD1 4.4Å; V155-L159 PolarHBondContact O-N 3.11Å; V155-L159 VanDerWaalsContact O-N 3.07Å; V155-F220 HydrophobicContact CG1-CD2 4.29Å; V155-F220 HydrophobicContact CG1-CE2 3.31Å; V155-F220 HydrophobicContact CG1-CZ 3.52Å
156	T	98.6	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-43.9	175.9	-67.9	0	0	0	0	111.7	V131 A134 Y143 M149 M152 G153 A158 L159 H160	V131-T156 HydrophobicContact CG1-CG2 4.15Å; A134-T156 HydrophobicContact CB-CG2 3.64Å; Y143-T156 HydrophobicContact CD2-CG2 3.8Å; Y143-T156 HydrophobicContact CE2-CG2 4.02Å; M149-T156 VanDerWaalsContact C-OG1 3.31Å; M149-T156 VanDerWaalsContact CA-OG1 3.26Å; M149-T156 WeakPolarHBondContact CA-OG1 3.44Å; M149-T156 WeakPolarHBondContact CB-OG1 3.43Å; M149-T156 PolarHBondContact O-OG1 2.95Å; M152-T156 PolarHBondContact O-N 3.13Å; M152-T156 VanDerWaalsContact O-N 3.1Å; G153-T156 WeakPolarHBondContact O-CB 3.48Å; G153-T156 PolarHBondContact O-N 2.99Å; T156-A158 VanDerWaalsContact C-N 3.34Å; T156-A158 PolarHBondContact O-N 3.07Å; T156-L159 PolarHBondContact O-N 2.6Å; T156-H160 WeakPolarHBondContact O-CB 3.38Å; T156-H160 PolarHBondContact O-N 3.42Å
157	L	98.6	Very high	97.9	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-41.3	173.6	-78.7	-178	0	0	0	112.4	M129 T130 V131 G153 N154 L159 H160 L161 V251 L268	M129-L157 WeakPolarHBondContact O-CD2 3.5Å; T130-L157 VanDerWaalsContact C-CD2 3.45Å; V131-L157 HydrophobicContact CG2-CG 4.25Å; G153-L157 PolarHBondContact O-N 3.19Å; N154-L157 PolarHBondContact O-N 3.35Å; L157-L159 PolarHBondContact O-N 2.94Å; L157-H160 PolarHBondContact O-N 3.24Å; L157-L161 WeakPolarHBondContact O-CB 3.37Å; L157-L161 PolarHBondContact O-N 3.2Å; L157-V251 HydrophobicContact CB-CG1 4.16Å; L157-V251 HydrophobicContact CB-CG2 3.87Å; L157-V251 HydrophobicContact CD1-CG1 4.36Å; L157-L268 HydrophobicContact CD1-CB 3.57Å; L157-L268 HydrophobicContact CG-CB 4.48Å
158	A	98.8	Very high	97.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.9	-42.9	179.6	0	0	0	0	0	111.5	N154 V155 T156 L161 L162 A247 V248 V251	N154-A158 PolarHBondContact O-N 2.86Å; N154-A158 VanDerWaalsContact O-N 3.08Å; V155-A158 PolarHBondContact O-N 3.37Å; T156-A158 VanDerWaalsContact C-N 3.34Å; T156-A158 PolarHBondContact O-N 3.07Å; A158-L161 PolarHBondContact O-N 3.33Å; A158-L162 WeakPolarHBondContact O-CG 3.39Å; A158-L162 PolarHBondContact O-N 3.46Å; A158-L162 VanDerWaalsContact O-N 3.15Å; A158-A247 HydrophobicContact CB-CB 3.94Å; A158-A247 WeakPolarHBondContact O-CB 3.37Å; A158-V248 HydrophobicContact CB-CG1 4Å; A158-V251 HydrophobicContact CB-CG2 4.06Å
159	L	98.7	Very high	97.6	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-68.5	-37.9	175.5	-66.7	174.1	0	0	0	112.1	L139 M149 V155 T156 L157 L162 C163 F220 L235 Y244	L139-L159 HydrophobicContact CD1-CB 4.38Å; L139-L159 HydrophobicContact CD2-CB 3.78Å; M149-L159 HydrophobicContact CE-CD1 4.08Å; M149-L159 HydrophobicContact CG-CD1 4.1Å; M149-L159 HydrophobicContact SD-CD1 3.93Å; V155-L159 HydrophobicContact CG1-CD1 4.4Å; V155-L159 PolarHBondContact O-N 3.11Å; V155-L159 VanDerWaalsContact O-N 3.07Å; T156-L159 PolarHBondContact O-N 2.6Å; L157-L159 PolarHBondContact O-N 2.94Å; L159-L162 PolarHBondContact O-N 2.89Å; L159-C163 PolarHBondContact O-N 2.77Å; L159-C163 PolarHBondContact O-SG 2.96Å; L159-C163 VanDerWaalsContact O-SG 3.41Å; L159-F220 HydrophobicContact CD1-CD1 3.72Å; L159-F220 HydrophobicContact CD1-CD2 4.43Å; L159-F220 HydrophobicContact CD1-CE1 3.68Å; L159-F220 HydrophobicContact CD1-CE2 4.41Å; L159-F220 HydrophobicContact CD1-CG 4.12Å; L159-F220 HydrophobicContact CD1-CZ 4.05Å; L159-F220 HydrophobicContact CD2-CG 4.46Å; L159-L235 HydrophobicContact CD2-CD1 4.35Å; L159-Y244 HydrophobicContact CD2-CD2 4.45Å; L159-Y244 HydrophobicContact CD2-CE2 4.2Å
160	H	98.8	Very high	97.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-48.1	174.9	-177.1	31.6	0	0	0	110.9	S133 A134 L139 T156 L157 L162 C163 E164	S133-H160 PolarHBondContact OG-CD2 3.44Å; S133-H160 PolarHBondContact OG-NE2 3.39Å; A134-H160 HydrophobicContact CB-CB 3.6Å; L139-H160 HydrophobicContact CD2-CB 4.15Å; T156-H160 WeakPolarHBondContact O-CB 3.38Å; T156-H160 PolarHBondContact O-N 3.42Å; L157-H160 PolarHBondContact O-N 3.24Å; H160-L162 VanDerWaalsContact C-N 3.29Å; H160-L162 PolarHBondContact O-N 3.3Å; H160-C163 PolarHBondContact O-N 2.98Å; H160-E164 VanDerWaalsContact CE1-CG 3.42Å; H160-E164 WeakPolarHBondContact CE1-CG 3.42Å; H160-E164 IonicContact CE1-OE1 2.61Å; H160-E164 PolarHBondContact CE1-OE1 3.38Å; H160-E164 IonicContact ND1-OE1 3.76Å; H160-E164 WeakPolarHBondContact O-CG 3.37Å; H160-E164 PolarHBondContact O-N 3.5Å
161	L	98.8	Very high	97.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-56.3	-42	176.8	-178.1	62.7	0	0	0	112	M129 L157 A158 R165 I176 L179 W246 S250 L270	M129-L161 HydrophobicContact CE-CD1 4.26Å; M129-L161 HydrophobicContact SD-CD1 3.9Å; L157-L161 WeakPolarHBondContact O-CB 3.37Å; L157-L161 PolarHBondContact O-N 3.2Å; A158-L161 PolarHBondContact O-N 3.33Å; L161-R165 WeakPolarHBondContact O-CB 3.4Å; L161-R165 PolarHBondContact O-N 3.01Å; L161-I176 HydrophobicContact CD1-CD1 4.22Å; L161-I176 HydrophobicContact CD1-CG1 3.83Å; L161-L179 HydrophobicContact CD1-CD1 3.96Å; L161-L179 HydrophobicContact CD2-CD1 4.23Å; L161-W246 HydrophobicContact CD1-CH2 4.2Å; L161-W246 HydrophobicContact CD2-CH2 3.74Å; L161-W246 HydrophobicContact CD2-CZ3 3.74Å; L161-W246 HydrophobicContact CG-CH2 3.82Å; L161-W246 HydrophobicContact CG-CZ3 3.77Å; L161-S250 VanDerWaalsContact CD2-CB 3.49Å; L161-L270 HydrophobicContact CD1-CD1 4.36Å; L161-L270 HydrophobicContact CD2-CD1 4.33Å
162	L	98.5	Very high	97.8	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-68.4	-43	176.6	-71.1	174.8	0	0	0	113.4	A158 L159 H160 E164 R165 A166 L235 F239 D243 W246 A247	A158-L162 WeakPolarHBondContact O-CG 3.39Å; A158-L162 PolarHBondContact O-N 3.46Å; A158-L162 VanDerWaalsContact O-N 3.15Å; L159-L162 PolarHBondContact O-N 2.89Å; H160-L162 VanDerWaalsContact C-N 3.29Å; H160-L162 PolarHBondContact O-N 3.3Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.23Å; L162-R165 PolarHBondContact O-N 3.44Å; L162-A166 WeakPolarHBondContact O-CB 3.36Å; L162-A166 PolarHBondContact O-N 2.91Å; L162-L235 HydrophobicContact CB-CD2 3.93Å; L162-L235 HydrophobicContact CD1-CD2 4.15Å; L162-F239 HydrophobicContact CD1-CD2 4.31Å; L162-F239 HydrophobicContact CD1-CE2 3.83Å; L162-D243 HydrophobicContact CD1-CB 4.12Å; L162-D243 HydrophobicContact CD2-CB 3.83Å; L162-W246 HydrophobicContact CD2-CE3 3.89Å; L162-W246 HydrophobicContact CD2-CZ3 4.02Å; L162-A247 HydrophobicContact CD1-CB 3.76Å; L162-A247 HydrophobicContact CD2-CB 3.89Å; L162-A247 HydrophobicContact CG-CB 3.55Å
163	C	98.1	Very high	97.8	Very high	4 Å²	4	26.2 Å²	26.2	3%	0.027	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-44.8	176.7	-76.2	0	0	0	0	111.3	L159 H160 A166 S167 L235	L159-C163 PolarHBondContact O-N 2.77Å; L159-C163 PolarHBondContact O-SG 2.96Å; L159-C163 VanDerWaalsContact O-SG 3.41Å; H160-C163 PolarHBondContact O-N 2.98Å; C163-A166 PolarHBondContact O-N 3.01Å; C163-S167 PolarHBondContact O-N 2.96Å; C163-L235 VanDerWaalsContact SG-CD1 3.53Å
164	E	98.4	Very high	97.8	Very high	20 Å²	20	26.6 Å²	26.6	9%	0.093	16%	0.159	C	C	.	.	H	α-helix	trans	-69.2	-38.6	177.7	-65.9	-53.2	138.8	0	0	111.7	M129 H160 L162 A166 S167 S170 W172 I176	M129-E164 HydrophobicContact CE-CB 3.93Å; M129-E164 HydrophobicContact CE-CG 3.7Å; H160-E164 VanDerWaalsContact CE1-CG 3.42Å; H160-E164 WeakPolarHBondContact CE1-CG 3.42Å; H160-E164 IonicContact CE1-OE1 2.61Å; H160-E164 PolarHBondContact CE1-OE1 3.38Å; H160-E164 IonicContact ND1-OE1 3.76Å; H160-E164 WeakPolarHBondContact O-CG 3.37Å; H160-E164 PolarHBondContact O-N 3.5Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.23Å; E164-A166 VanDerWaalsContact C-N 3.27Å; E164-A166 PolarHBondContact O-N 3.21Å; E164-S167 WeakPolarHBondContact O-CB 3.27Å; E164-S167 PolarHBondContact O-N 2.66Å; E164-S170 WeakPolarHBondContact CB-OG 3.4Å; E164-S170 WeakPolarHBondContact O-CB 3.46Å; E164-S170 VanDerWaalsContact OE2-CB 3.3Å; E164-S170 WeakPolarHBondContact OE2-CB 3.38Å; E164-S170 PolarHBondContact OE2-OG 3.32Å; E164-W172 HydrophobicContact CG-CE3 3.91Å; E164-W172 HydrophobicContact CG-CZ3 4.24Å; E164-I176 HydrophobicContact CB-CD1 3.52Å
165	R	97.9	Very high	97.9	Very high	11 Å²	11	23.7 Å²	23.7	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-58.4	-40.6	174.7	-177.9	-179	-176.7	85.2	5.7	112.3	T69 F71 L161 L162 S167 I176 W246	T69-R165 HydrophobicContact CG2-CG 4.35Å; T69-R165 PolarHBondContact O-NE 2.94Å; T69-R165 PolarHBondContact O-NH2 3.35Å; F71-R165 HydrophobicContact CE2-CG 4.4Å; F71-R165 HydrophobicContact CZ-CG 3.99Å; L161-R165 WeakPolarHBondContact O-CB 3.4Å; L161-R165 PolarHBondContact O-N 3.01Å; L162-R165 PolarHBondContact O-N 3.44Å; R165-S167 PolarHBondContact O-N 3.16Å; R165-I176 HydrophobicContact CB-CG2 3.73Å; R165-I176 HydrophobicContact CG-CG2 3.76Å; R165-W246 VanDerWaalsContact NH1-CZ2 3.3Å
166	A	96.7	Very high	97.9	Very high	34 Å²	34	23.7 Å²	23.7	28%	0.281	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-3.5	180	0	0	0	0	0	113.4	L162 C163 E164 P168 P234	L162-A166 WeakPolarHBondContact O-CB 3.36Å; L162-A166 PolarHBondContact O-N 2.91Å; C163-A166 PolarHBondContact O-N 3.01Å; E164-A166 VanDerWaalsContact C-N 3.27Å; E164-A166 PolarHBondContact O-N 3.21Å; A166-P168 WeakPolarHBondContact O-CD 3.21Å; A166-P234 HydrophobicContact CB-CB 3.41Å; A166-P234 VanDerWaalsContact CB-CB 3.41Å; A166-P234 HydrophobicContact CB-CG 4.09Å
167	S	95.5	Very high	97.8	Very high	25 Å²	25	27.5 Å²	27.5	18%	0.175	16%	0.158	C	C	.	.			trans	-101.2	109.1	179.8	-177	0	0	0	0	110.8	C163 E164 R165 S169 S170	C163-S167 PolarHBondContact O-N 2.96Å; E164-S167 WeakPolarHBondContact O-CB 3.27Å; E164-S167 PolarHBondContact O-N 2.66Å; R165-S167 PolarHBondContact O-N 3.16Å; S167-S169 PolarHBondContact O-N 3.07Å; S167-S169 VanDerWaalsContact O-N 3.12Å; S167-S170 WeakPolarHBondContact O-CB 3.31Å; S167-S170 PolarHBondContact O-N 3.28Å
168	P	94.1	Very high	97.8	Very high	118 Å²	118	27.5 Å²	27.5	77%	0.766	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.8	-178.6	-22.8	34.4	0	0	0	114.5	A166 L173	A166-P168 WeakPolarHBondContact O-CD 3.21Å; P168-L173 WeakPolarHBondContact O-CD2 3.37Å
169	S	95.7	Very high	97.7	Very high	109 Å²	109	27.9 Å²	27.9	76%	0.762	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	17.3	177.6	64.5	0	0	0	0	112.5	S167	S167-S169 PolarHBondContact O-N 3.07Å; S167-S169 VanDerWaalsContact O-N 3.12Å
170	S	97.9	Very high	97.6	Very high	12 Å²	12	28.5 Å²	28.5	8%	0.084	16%	0.164	C	C	.	.			trans	-61.9	136.2	178.3	-179	0	0	0	0	111	E164 S167 W172 L173	E164-S170 WeakPolarHBondContact CB-OG 3.4Å; E164-S170 WeakPolarHBondContact O-CB 3.46Å; E164-S170 VanDerWaalsContact OE2-CB 3.3Å; E164-S170 WeakPolarHBondContact OE2-CB 3.38Å; E164-S170 PolarHBondContact OE2-OG 3.32Å; S167-S170 WeakPolarHBondContact O-CB 3.31Å; S167-S170 PolarHBondContact O-N 3.28Å; S170-W172 PolarHBondContact O-N 2.88Å; S170-W172 PolarHBondContact OG-N 3.18Å; S170-L173 VanDerWaalsContact O-CB 3.31Å; S170-L173 WeakPolarHBondContact O-CB 3.44Å; S170-L173 PolarHBondContact O-N 2.87Å
171	F	98.4	Very high	97.4	Very high	72 Å²	72	33 Å²	33	32%	0.316	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-33.2	172.8	171.9	-105.3	0	0	0	112.1	W85 N89 K126 L173	W85-F171 AromaticContact CE2-CZ 3.91Å; W85-F171 HydrophobicContact CZ2-CD1 4.1Å; W85-F171 AromaticContact CZ2-CE1 3.53Å; W85-F171 HydrophobicContact CZ2-CE1 3.53Å; W85-F171 HydrophobicContact CZ2-CE2 4.39Å; W85-F171 AromaticContact CZ2-CZ 3.69Å; W85-F171 HydrophobicContact CZ2-CZ 3.69Å; W85-F171 AromaticContact NE1-CD2 3.92Å; W85-F171 AromaticContact NE1-CE2 3.49Å; W85-F171 AromaticContact NE1-CZ 3.65Å; W85-F171 PolarHBondContact NE1-O 2.78Å; W85-F171 VanDerWaalsContact NE1-O 3.11Å; N89-F171 WeakPolarHBondContact OD1-CZ 3.5Å; K126-F171 HydrophobicContact CG-CE1 4.47Å; K126-F171 HydrophobicContact CG-CZ 4.3Å; K126-F171 VanDerWaalsContact O-CE1 3.31Å; K126-F171 WeakPolarHBondContact O-CE1 3.29Å; F171-L173 VanDerWaalsContact C-N 3.33Å
172	W	98.7	Very high	97.1	Very high	34 Å²	34	40 Å²	40	13%	0.129	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	7.6	-179.1	-61.1	-84.5	0	0	0	113.3	M127 L128 M129 E164 S170 P174 Y175 I176	M127-W172 VanDerWaalsContact O-CD1 3.24Å; M127-W172 PolarHBondContact O-NE1 3.5Å; M127-W172 VanDerWaalsContact O-NE1 3.14Å; L128-W172 PolarHBondContact O-NE1 2.87Å; L128-W172 VanDerWaalsContact O-NE1 3.16Å; M129-W172 HydrophobicContact CE-CD2 4.43Å; M129-W172 HydrophobicContact CE-CG 4.44Å; M129-W172 HydrophobicContact CG-CB 4.27Å; M129-W172 VanDerWaalsContact CG-CD1 3.42Å; M129-W172 HydrophobicContact CG-CD2 3.98Å; M129-W172 HydrophobicContact CG-CG 3.65Å; M129-W172 HydrophobicContact SD-CB 4.02Å; M129-W172 HydrophobicContact SD-CG 4.03Å; E164-W172 HydrophobicContact CG-CE3 3.91Å; E164-W172 HydrophobicContact CG-CZ3 4.24Å; S170-W172 PolarHBondContact O-N 2.88Å; S170-W172 PolarHBondContact OG-N 3.18Å; W172-P174 VanDerWaalsContact C-CD 3.45Å; W172-P174 VanDerWaalsContact C-N 3.34Å; W172-Y175 PolarHBondContact O-N 3.24Å; W172-Y175 VanDerWaalsContact O-N 3.08Å; W172-I176 HydrophobicContact CB-CD1 4.06Å; W172-I176 HydrophobicContact CB-CG1 4.33Å; W172-I176 WeakPolarHBondContact O-CG1 3.48Å; W172-I176 PolarHBondContact O-N 3.35Å
173	L	98.1	Very high	97.1	Very high	18 Å²	18	40.4 Å²	40.4	9%	0.094	22%	0.219	C	C	.	.	H	α-helix	trans	-55.9	-38.9	-177.2	-168.5	64.2	0	0	0	113.9	F71 P168 S170 F171 Y175 I176 R177	F71-L173 HydrophobicContact CE1-CD1 3.98Å; F71-L173 HydrophobicContact CZ-CD1 3.91Å; P168-L173 WeakPolarHBondContact O-CD2 3.37Å; S170-L173 VanDerWaalsContact O-CB 3.31Å; S170-L173 WeakPolarHBondContact O-CB 3.44Å; S170-L173 PolarHBondContact O-N 2.87Å; F171-L173 VanDerWaalsContact C-N 3.33Å; L173-Y175 VanDerWaalsContact C-N 3.34Å; L173-Y175 PolarHBondContact O-N 3Å; L173-I176 PolarHBondContact O-N 2.8Å; L173-R177 HydrophobicContact CD1-CG 4.21Å; L173-R177 HydrophobicContact CG-CG 4.28Å; L173-R177 WeakPolarHBondContact O-CB 3.24Å; L173-R177 WeakPolarHBondContact O-CG 3.42Å; L173-R177 PolarHBondContact O-N 2.81Å
174	P	98.3	Very high	97	Very high	27 Å²	27	43.1 Å²	43.1	18%	0.175	23%	0.234	C	C	.	.	H	α-helix	trans	-57.9	-43.6	174.6	-26.8	37.5	0	0	0	113	W85 W172 S178	W85-P174 HydrophobicContact CB-CB 3.88Å; W85-P174 HydrophobicContact CB-CG 3.84Å; W85-P174 HydrophobicContact CD2-CB 4.24Å; W85-P174 HydrophobicContact CD2-CG 4.28Å; W85-P174 HydrophobicContact CE3-CB 4.46Å; W85-P174 HydrophobicContact CG-CB 4Å; W85-P174 HydrophobicContact CG-CG 3.75Å; W172-P174 VanDerWaalsContact C-CD 3.45Å; W172-P174 VanDerWaalsContact C-N 3.34Å; P174-S178 PolarHBondContact O-N 2.94Å; P174-S178 PolarHBondContact O-OG 3.02Å
175	Y	98.6	Very high	97	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-67.4	-44.4	175	167.6	-117.9	0	0	0	112.7	M129 W172 L173 R177 S178 L179 L270 P272 D275	M129-Y175 HydrophobicContact SD-CD1 4Å; M129-Y175 HydrophobicContact SD-CE1 3.95Å; W172-Y175 PolarHBondContact O-N 3.24Å; W172-Y175 VanDerWaalsContact O-N 3.08Å; L173-Y175 VanDerWaalsContact C-N 3.34Å; L173-Y175 PolarHBondContact O-N 3Å; Y175-R177 VanDerWaalsContact C-N 3.28Å; Y175-R177 PolarHBondContact O-N 3.48Å; Y175-S178 WeakPolarHBondContact CA-OG 3.4Å; Y175-S178 PolarHBondContact O-N 3.27Å; Y175-S178 VanDerWaalsContact O-N 3.1Å; Y175-S178 PolarHBondContact O-OG 2.71Å; Y175-L179 HydrophobicContact CE1-CD1 4.32Å; Y175-L179 HydrophobicContact CE2-CD2 3.88Å; Y175-L179 HydrophobicContact CE2-CG 4.25Å; Y175-L179 PolarHBondContact O-N 3.22Å; Y175-L270 HydrophobicContact CE1-CB 4.14Å; Y175-L270 HydrophobicContact CE1-CD1 4.17Å; Y175-P272 HydrophobicContact CD1-CB 4.49Å; Y175-P272 HydrophobicContact CD1-CG 3.83Å; Y175-P272 HydrophobicContact CD2-CB 3.5Å; Y175-P272 VanDerWaalsContact CD2-CB 3.5Å; Y175-P272 HydrophobicContact CD2-CG 3.73Å; Y175-P272 HydrophobicContact CE1-CG 4.22Å; Y175-P272 HydrophobicContact CE2-CB 4.05Å; Y175-P272 HydrophobicContact CE2-CG 4.12Å; Y175-P272 HydrophobicContact CG-CB 3.75Å; Y175-P272 HydrophobicContact CG-CG 3.57Å; Y175-D275 WeakPolarHBondContact CE2-OD2 3.43Å; Y175-D275 PolarHBondContact OH-OD2 3.35Å; Y175-D275 VanDerWaalsContact OH-OD2 3.04Å
176	I	98.6	Very high	97	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-65.5	-34.7	-177.6	-64.9	170.3	0	0	0	111.5	F71 M129 L161 E164 R165 W172 L173 S178 L179 W246	F71-I176 HydrophobicContact CE2-CG2 4.2Å; F71-I176 HydrophobicContact CZ-CG2 4.23Å; M129-I176 HydrophobicContact CE-CD1 4.49Å; M129-I176 HydrophobicContact SD-CD1 4.46Å; M129-I176 HydrophobicContact SD-CG1 4.43Å; L161-I176 HydrophobicContact CD1-CD1 4.22Å; L161-I176 HydrophobicContact CD1-CG1 3.83Å; E164-I176 HydrophobicContact CB-CD1 3.52Å; R165-I176 HydrophobicContact CB-CG2 3.73Å; R165-I176 HydrophobicContact CG-CG2 3.76Å; W172-I176 HydrophobicContact CB-CD1 4.06Å; W172-I176 HydrophobicContact CB-CG1 4.33Å; W172-I176 WeakPolarHBondContact O-CG1 3.48Å; W172-I176 PolarHBondContact O-N 3.35Å; L173-I176 PolarHBondContact O-N 2.8Å; I176-S178 VanDerWaalsContact C-N 3.34Å; I176-L179 PolarHBondContact O-N 2.8Å; I176-W246 HydrophobicContact CG2-CH2 4.4Å
177	R	97.5	Very high	97.1	Very high	80 Å²	80	40.2 Å²	40.2	30%	0.302	22%	0.215	S	C	.	.	H	α-helix	trans	-70.5	-29.5	174.9	-75.8	174.5	166	-170.7	-1.6	112.8	F71 Y78 L173 Y175 L179	F71-R177 HydrophobicContact CD1-CG 4.11Å; F71-R177 HydrophobicContact CD2-CB 4.33Å; F71-R177 HydrophobicContact CD2-CG 3.66Å; F71-R177 HydrophobicContact CE1-CG 4.09Å; F71-R177 HydrophobicContact CE2-CB 4.38Å; F71-R177 HydrophobicContact CE2-CG 3.62Å; F71-R177 HydrophobicContact CG-CG 3.9Å; F71-R177 HydrophobicContact CZ-CG 3.85Å; Y78-R177 HydrophobicContact CD1-CB 3.82Å; Y78-R177 HydrophobicContact CD1-CG 4.24Å; Y78-R177 HydrophobicContact CD2-CB 4.1Å; Y78-R177 HydrophobicContact CE1-CB 4.26Å; Y78-R177 HydrophobicContact CE1-CG 4.23Å; Y78-R177 HydrophobicContact CG-CB 3.71Å; L173-R177 HydrophobicContact CD1-CG 4.21Å; L173-R177 HydrophobicContact CG-CG 4.28Å; L173-R177 WeakPolarHBondContact O-CB 3.24Å; L173-R177 WeakPolarHBondContact O-CG 3.42Å; L173-R177 PolarHBondContact O-N 2.81Å; Y175-R177 VanDerWaalsContact C-N 3.28Å; Y175-R177 PolarHBondContact O-N 3.48Å; R177-L179 VanDerWaalsContact C-N 3.32Å
178	S	97.2	Very high	97.2	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.014	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-2.7	176.5	69.6	0	0	0	0	114.3	R75 P174 Y175 I176	R75-S178 PolarHBondContact NE-O 3.24Å; R75-S178 PolarHBondContact NH2-O 2.88Å; P174-S178 PolarHBondContact O-N 2.94Å; P174-S178 PolarHBondContact O-OG 3.02Å; Y175-S178 WeakPolarHBondContact CA-OG 3.4Å; Y175-S178 PolarHBondContact O-N 3.27Å; Y175-S178 VanDerWaalsContact O-N 3.1Å; Y175-S178 PolarHBondContact O-OG 2.71Å; I176-S178 VanDerWaalsContact C-N 3.34Å
179	L	98	Very high	97.4	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.037	17%	0.173	C	C	.	.	S	Bend	trans	-74.2	154	176.2	-75.6	173.8	0	0	0	112.5	L161 Y175 I176 R177 W246	L161-L179 HydrophobicContact CD1-CD1 3.96Å; L161-L179 HydrophobicContact CD2-CD1 4.23Å; Y175-L179 HydrophobicContact CE1-CD1 4.32Å; Y175-L179 HydrophobicContact CE2-CD2 3.88Å; Y175-L179 HydrophobicContact CE2-CG 4.25Å; Y175-L179 PolarHBondContact O-N 3.22Å; I176-L179 PolarHBondContact O-N 2.8Å; R177-L179 VanDerWaalsContact C-N 3.32Å; L179-W246 HydrophobicContact CB-CZ2 4.13Å; L179-W246 HydrophobicContact CD1-CH2 4.05Å; L179-W246 HydrophobicContact CD1-CZ2 3.94Å
180	P	96.3	Very high	97.5	Very high	16 Å²	16	34.5 Å²	34.5	10%	0.104	16%	0.162	C	C	.	.			trans	-57.6	145.5	170.3	-20.7	32	0	0	0	111.9	E182 Y183 W246	P180-E182 WeakPolarHBondContact CB-O 3.45Å; P180-Y183 HydrophobicContact CB-CD1 4.33Å; P180-Y183 HydrophobicContact CB-CE1 3.78Å; P180-Y183 HydrophobicContact CG-CD1 4.42Å; P180-Y183 HydrophobicContact CG-CE1 3.65Å; P180-W246 PolarHBondContact O-NE1 2.94Å
181	Q	93.1	Very high	97.5	Very high	96 Å²	96	37.2 Å²	37.2	45%	0.449	17%	0.174	S	C	.	.	S	Bend	trans	-81.5	-26.8	173.7	-61.4	-170.9	15.2	0	0	112.3	W246	Q181-W246 VanDerWaalsContact O-CD1 3.23Å
182	E	93.8	Very high	97.4	Very high	146 Å²	146	38.9 Å²	38.9	68%	0.682	19%	0.186	S	C	*	.			trans	-137.2	162.9	178.1	-62.1	-168.5	159.5	0	0	110	P180 Y188	P180-E182 WeakPolarHBondContact CB-O 3.45Å; E182-Y188 HydrophobicContact CB-CE1 4.23Å; E182-Y188 HydrophobicContact CG-CE1 4.42Å
183	Y	97.4	Very high	97.3	Very high	15 Å²	15	37.7 Å²	37.7	6%	0.059	18%	0.182	C	C	.	.			trans	-137	161.9	-179	-62.1	-79.8	0	0	0	109.9	P180 Y188 W246 S250 T253 R254	P180-Y183 HydrophobicContact CB-CD1 4.33Å; P180-Y183 HydrophobicContact CB-CE1 3.78Å; P180-Y183 HydrophobicContact CG-CD1 4.42Å; P180-Y183 HydrophobicContact CG-CE1 3.65Å; Y183-Y188 HydrophobicContact CD2-CE2 4.4Å; Y183-Y188 WeakPolarHBondContact O-CB 3.42Å; Y183-Y188 VanDerWaalsContact O-CD2 3.24Å; Y183-Y188 WeakPolarHBondContact O-CD2 3.31Å; Y183-W246 AromaticContact CE2-CD1 3.68Å; Y183-W246 HydrophobicContact CE2-CG 4.38Å; Y183-W246 AromaticContact CE2-NE1 3.81Å; Y183-S250 VanDerWaalsContact CE2-OG 3.26Å; Y183-S250 WeakPolarHBondContact CE2-OG 3.49Å; Y183-S250 VanDerWaalsContact CZ-OG 3.31Å; Y183-S250 VanDerWaalsContact OH-CA 3.32Å; Y183-S250 WeakPolarHBondContact OH-CA 3.4Å; Y183-S250 VanDerWaalsContact OH-CB 3.25Å; Y183-S250 WeakPolarHBondContact OH-CB 3.47Å; Y183-S250 PolarHBondContact OH-OG 2.81Å; Y183-T253 HydrophobicContact CD1-CG2 4.22Å; Y183-R254 VanDerWaalsContact CE1-NH1 3.3Å
184	D	97.5	Very high	97.3	Very high	62 Å²	62	36.9 Å²	36.9	33%	0.332	18%	0.178	S	C	.	.			trans	-102.9	22.2	179.5	-63.5	-60.9	0	0	0	112.9	Y189 G326 L459 H460 L463	D184-Y189 WeakPolarHBondContact O-CE1 3.36Å; D184-G326 WeakPolarHBondContact CB-O 3.48Å; D184-G326 WeakPolarHBondContact O-CA 3.4Å; D184-L459 HydrophobicContact CB-CD2 4.44Å; D184-H460 IonicContact OD1-CD2 2.97Å; D184-H460 PolarHBondContact OD1-CD2 2.77Å; D184-H460 IonicContact OD1-CE1 2.74Å; D184-H460 IonicContact OD1-NE2 3.49Å; D184-H460 PolarHBondContact OD1-NE2 2.92Å; D184-L463 HydrophobicContact CB-CD1 4.38Å
185	T	98.1	Very high	97.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-65.6	154.4	169.9	61.4	0	0	0	0	110.7	L187 Y188 S249 M252 T253	T185-L187 PolarHBondContact O-N 3.44Å; T185-Y188 PolarHBondContact O-N 3.42Å; T185-Y188 WeakPolarHBondContact OG1-CD2 3.27Å; T185-S249 PolarHBondContact OG1-OG 3.47Å; T185-M252 HydrophobicContact CG2-CG 4.38Å; T185-M252 HydrophobicContact CG2-SD 3.88Å; T185-T253 HydrophobicContact CG2-CG2 3.82Å
186	P	98.3	Very high	97.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-13.7	-178.6	-27.4	36.2	0	0	0	115.7	Y188 Y189 V206 V322 I323	P186-Y188 PolarHBondContact O-N 3.29Å; P186-Y189 PolarHBondContact O-N 2.89Å; P186-V206 HydrophobicContact CB-CB 4.36Å; P186-V206 HydrophobicContact CB-CG1 3.64Å; P186-V206 HydrophobicContact CB-CG2 3.98Å; P186-V206 HydrophobicContact CG-CG1 4.48Å; P186-V206 HydrophobicContact CG-CG2 3.92Å; P186-V322 WeakPolarHBondContact CD-O 3.45Å; P186-I323 HydrophobicContact CG-CG1 4.29Å
187	L	98.3	Very high	97.1	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18	169.4	-62.4	178.5	0	0	0	113.8	T185 Q209 Y210 T213 R245 V248 M252	T185-L187 PolarHBondContact O-N 3.44Å; L187-Q209 HydrophobicContact CD2-CG 4.15Å; L187-Q209 HydrophobicContact CG-CG 4.38Å; L187-Y210 HydrophobicContact CD2-CD2 4.03Å; L187-T213 HydrophobicContact CD1-CG2 4.11Å; L187-T213 HydrophobicContact CD2-CG2 4.28Å; L187-R245 HydrophobicContact CB-CG 3.94Å; L187-R245 HydrophobicContact CD1-CG 4.27Å; L187-R245 WeakPolarHBondContact O-CD 3.16Å; L187-R245 PolarHBondContact O-NH1 3.44Å; L187-V248 HydrophobicContact CD1-CG2 3.73Å; L187-M252 HydrophobicContact CD1-CE 3.78Å
188	Y	98.3	Very high	96.9	Very high	18 Å²	18	39.4 Å²	39.4	7%	0.071	19%	0.192	C	C	.	.	S	Bend	trans	-101.6	-12.3	179.9	-70.2	-102.6	0	0	0	113.4	E182 Y183 T185 P186 R245 W246 S249	E182-Y188 HydrophobicContact CB-CE1 4.23Å; E182-Y188 HydrophobicContact CG-CE1 4.42Å; Y183-Y188 HydrophobicContact CD2-CE2 4.4Å; Y183-Y188 WeakPolarHBondContact O-CB 3.42Å; Y183-Y188 VanDerWaalsContact O-CD2 3.24Å; Y183-Y188 WeakPolarHBondContact O-CD2 3.31Å; T185-Y188 PolarHBondContact O-N 3.42Å; T185-Y188 WeakPolarHBondContact OG1-CD2 3.27Å; P186-Y188 PolarHBondContact O-N 3.29Å; Y188-R245 HydrophobicContact CD2-CG 4.41Å; Y188-R245 HydrophobicContact CE2-CG 3.75Å; Y188-W246 WeakPolarHBondContact OH-CA 3.18Å; Y188-S249 WeakPolarHBondContact CE2-OG 3.23Å
189	Y	98	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.			trans	-63.4	148.1	-177.4	-78.4	25.7	0	0	0	111.1	R54 D184 P186 D193 V194 H460 L463 A464	R54-Y189 VanDerWaalsContact CZ-O 3.23Å; R54-Y189 PolarHBondContact NH1-O 3.24Å; R54-Y189 PolarHBondContact NH2-O 2.9Å; D184-Y189 WeakPolarHBondContact O-CE1 3.36Å; P186-Y189 PolarHBondContact O-N 2.89Å; Y189-D193 HydrophobicContact CD2-CB 3.83Å; Y189-D193 HydrophobicContact CG-CB 4.11Å; Y189-V194 HydrophobicContact CD2-CG2 4.16Å; Y189-V194 HydrophobicContact CG-CG2 4.41Å; Y189-H460 HydrophobicContact CD1-CB 3.55Å; Y189-H460 AromaticContact CD1-CD2 3.72Å; Y189-H460 AromaticContact CD1-CG 3.3Å; Y189-H460 AromaticContact CD1-ND1 3.57Å; Y189-H460 HydrophobicContact CD2-CB 4.19Å; Y189-H460 HydrophobicContact CE1-CB 3.57Å; Y189-H460 AromaticContact CE1-CD2 3.43Å; Y189-H460 VanDerWaalsContact CE1-CD2 3.43Å; Y189-H460 WeakPolarHBondContact CE1-CD2 3.37Å; Y189-H460 AromaticContact CE1-CG 3.4Å; Y189-H460 HydrophobicContact CE2-CB 4.2Å; Y189-H460 HydrophobicContact CG-CB 3.89Å; Y189-L463 VanDerWaalsContact OH-CB 3.26Å; Y189-L463 WeakPolarHBondContact OH-CB 3.35Å; Y189-A464 HydrophobicContact CE2-CB 4.32Å
190	Q	97.3	Very high	96.4	Very high	113 Å²	113	41.1 Å²	41.1	53%	0.528	21%	0.21	S	C	.	.			trans	-73.3	162.8	165.7	-58.2	-54.2	-39.8	0	0	110.7	D192 D193 V194	Q190-D192 PolarHBondContact O-N 2.68Å; Q190-D193 WeakPolarHBondContact CA-OD2 3.46Å; Q190-D193 WeakPolarHBondContact CB-OD2 3.48Å; Q190-D193 PolarHBondContact N-OD2 3.11Å; Q190-D193 PolarHBondContact O-N 3.28Å; Q190-V194 PolarHBondContact O-N 2.83Å; Q190-V194 VanDerWaalsContact O-N 3.16Å
191	Q	97.4	Very high	96.2	Very high	69 Å²	69	42.6 Å²	42.6	32%	0.322	22%	0.216	S	C	.	.	H	α-helix	trans	-56.5	-41.3	177.9	-174.1	-173.3	-73.8	0	0	110.8	W47 D193 V194 Q195	W47-Q191 HydrophobicContact CH2-CG 3.9Å; W47-Q191 HydrophobicContact CZ2-CG 4.09Å; Q191-D193 VanDerWaalsContact C-N 3.33Å; Q191-D193 PolarHBondContact O-N 2.61Å; Q191-V194 PolarHBondContact O-N 3.09Å; Q191-Q195 WeakPolarHBondContact O-CB 3.23Å; Q191-Q195 PolarHBondContact O-N 3.03Å
192	D	96.9	Very high	96.3	Very high	108 Å²	108	38.1 Å²	38.1	58%	0.578	20%	0.195	S	C	*	.	H	α-helix	trans	-67.9	-33.5	-178.5	-61.9	-9.6	0	0	0	111.7	Q190 Q195 L196	Q190-D192 PolarHBondContact O-N 2.68Å; D192-Q195 WeakPolarHBondContact O-CB 3.39Å; D192-Q195 PolarHBondContact O-N 3.05Å; D192-L196 PolarHBondContact O-N 2.85Å
193	D	97.4	Very high	96.4	Very high	9 Å²	9	31.5 Å²	31.5	5%	0.048	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-45.8	174.3	-57	-56.5	0	0	0	110.9	Y189 Q190 Q191 Q195 L196 S458 H460 S461	Y189-D193 HydrophobicContact CD2-CB 3.83Å; Y189-D193 HydrophobicContact CG-CB 4.11Å; Q190-D193 WeakPolarHBondContact CA-OD2 3.46Å; Q190-D193 WeakPolarHBondContact CB-OD2 3.48Å; Q190-D193 PolarHBondContact N-OD2 3.11Å; Q190-D193 PolarHBondContact O-N 3.28Å; Q191-D193 VanDerWaalsContact C-N 3.33Å; Q191-D193 PolarHBondContact O-N 2.61Å; D193-Q195 VanDerWaalsContact C-N 3.26Å; D193-Q195 PolarHBondContact O-N 3.45Å; D193-L196 WeakPolarHBondContact O-CB 3.22Å; D193-L196 PolarHBondContact O-N 2.86Å; D193-S458 PolarHBondContact OD1-OG 3.37Å; D193-H460 HydrophobicContact CB-CB 4.09Å; D193-S461 PolarHBondContact OD1-N 3.34Å; D193-S461 PolarHBondContact OD1-OG 3.47Å
194	V	97.8	Very high	96.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.4	-31.3	176.8	-176.2	0	0	0	0	111.3	W47 Y50 Y189 Q190 Q191 L196 L197 V206 L207	W47-V194 HydrophobicContact CZ3-CB 4.37Å; W47-V194 HydrophobicContact CZ3-CG1 4.01Å; Y50-V194 HydrophobicContact CE1-CB 4.43Å; Y50-V194 HydrophobicContact CE1-CG1 4.29Å; Y50-V194 WeakPolarHBondContact OH-CG2 3.41Å; Y189-V194 HydrophobicContact CD2-CG2 4.16Å; Y189-V194 HydrophobicContact CG-CG2 4.41Å; Q190-V194 PolarHBondContact O-N 2.83Å; Q190-V194 VanDerWaalsContact O-N 3.16Å; Q191-V194 PolarHBondContact O-N 3.09Å; V194-L196 PolarHBondContact O-N 3.41Å; V194-L197 WeakPolarHBondContact O-CB 3.46Å; V194-L197 PolarHBondContact O-N 2.92Å; V194-V206 HydrophobicContact CG1-CG1 3.9Å; V194-V206 HydrophobicContact CG2-CG1 4.35Å; V194-L207 HydrophobicContact CG1-CD2 4.11Å
195	Q	96.7	Very high	96.1	Very high	96 Å²	96	34.6 Å²	34.6	45%	0.449	18%	0.18	S	C	.	.	H	α-helix	trans	-60.8	-30.1	176.6	-167.6	176.2	-15.8	0	0	112.3	W47 Q191 D192 D193 L197 L198	W47-Q195 HydrophobicContact CH2-CB 3.81Å; W47-Q195 HydrophobicContact CH2-CG 4.27Å; W47-Q195 HydrophobicContact CZ2-CB 4.13Å; W47-Q195 HydrophobicContact CZ2-CG 4.12Å; Q191-Q195 WeakPolarHBondContact O-CB 3.23Å; Q191-Q195 PolarHBondContact O-N 3.03Å; D192-Q195 WeakPolarHBondContact O-CB 3.39Å; D192-Q195 PolarHBondContact O-N 3.05Å; D193-Q195 VanDerWaalsContact C-N 3.26Å; D193-Q195 PolarHBondContact O-N 3.45Å; Q195-L197 PolarHBondContact O-N 2.82Å; Q195-L198 HydrophobicContact CG-CD1 3.71Å; Q195-L198 HydrophobicContact CG-CG 4.45Å; Q195-L198 WeakPolarHBondContact O-CB 3.48Å; Q195-L198 WeakPolarHBondContact O-CG 3.47Å; Q195-L198 PolarHBondContact O-N 2.9Å; Q195-L198 VanDerWaalsContact O-N 3.13Å
196	L	96.8	Very high	96.1	Very high	35 Å²	35	34.7 Å²	34.7	18%	0.183	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.1	175.8	-62.3	168.2	0	0	0	112.6	D192 D193 V194 L198 F451 A464 V465 R468	D192-L196 PolarHBondContact O-N 2.85Å; D193-L196 WeakPolarHBondContact O-CB 3.22Å; D193-L196 PolarHBondContact O-N 2.86Å; V194-L196 PolarHBondContact O-N 3.41Å; L196-L198 VanDerWaalsContact C-N 3.34Å; L196-F451 HydrophobicContact CD2-CZ 4.36Å; L196-A464 HydrophobicContact CB-CB 4.11Å; L196-A464 HydrophobicContact CD1-CB 4.44Å; L196-V465 HydrophobicContact CB-CG2 4.48Å; L196-V465 HydrophobicContact CD1-CG2 4.07Å; L196-R468 PolarHBondContact O-NH1 2.95Å
197	L	96.4	Very high	96.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.2	176.8	-62.7	173.9	0	0	0	113	V194 Q195 G199 T200 V203 V206 A464 L467	V194-L197 WeakPolarHBondContact O-CB 3.46Å; V194-L197 PolarHBondContact O-N 2.92Å; Q195-L197 PolarHBondContact O-N 2.82Å; L197-G199 PolarHBondContact O-N 3.31Å; L197-G199 VanDerWaalsContact O-N 3.12Å; L197-T200 HydrophobicContact CD2-CG2 4.36Å; L197-T200 VanDerWaalsContact O-CB 3.29Å; L197-T200 WeakPolarHBondContact O-CB 3.27Å; L197-T200 VanDerWaalsContact O-CG2 3.29Å; L197-T200 WeakPolarHBondContact O-CG2 3.5Å; L197-T200 PolarHBondContact O-N 3.37Å; L197-T200 PolarHBondContact O-OG1 3.02Å; L197-V203 HydrophobicContact CB-CB 4.15Å; L197-V203 HydrophobicContact CB-CG2 4.09Å; L197-V203 WeakPolarHBondContact O-CB 3.39Å; L197-V206 HydrophobicContact CD1-CG2 3.97Å; L197-A464 HydrophobicContact CD2-CB 3.89Å; L197-A464 WeakPolarHBondContact CD2-O 3.34Å; L197-A464 HydrophobicContact CG-CB 3.97Å; L197-L467 HydrophobicContact CD2-CD2 4.16Å
198	L	94.3	Very high	96	Very high	31 Å²	31	37.9 Å²	37.9	16%	0.162	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	119.8	-179.1	-70.2	178.1	0	0	0	111.8	W47 Q195 L196 V203	W47-L198 HydrophobicContact CB-CD2 4.36Å; W47-L198 HydrophobicContact CD2-CD1 4.11Å; W47-L198 HydrophobicContact CD2-CD2 3.99Å; W47-L198 HydrophobicContact CE3-CD1 4.37Å; W47-L198 HydrophobicContact CE3-CD2 3.72Å; W47-L198 HydrophobicContact CE3-CG 4.35Å; W47-L198 HydrophobicContact CG-CD1 4.48Å; W47-L198 HydrophobicContact CG-CD2 4.27Å; W47-L198 HydrophobicContact CZ2-CD1 4.48Å; W47-L198 HydrophobicContact CZ3-CD2 4.33Å; Q195-L198 HydrophobicContact CG-CD1 3.71Å; Q195-L198 HydrophobicContact CG-CG 4.45Å; Q195-L198 WeakPolarHBondContact O-CB 3.48Å; Q195-L198 WeakPolarHBondContact O-CG 3.47Å; Q195-L198 PolarHBondContact O-N 2.9Å; Q195-L198 VanDerWaalsContact O-N 3.13Å; L196-L198 VanDerWaalsContact C-N 3.34Å; L198-V203 HydrophobicContact CD2-CG2 4.21Å
199	G	89.8	Confident	96	Very high	35 Å²	35	38 Å²	38	36%	0.361	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.3	-10.5	-176.7	0	0	0	0	0	114.1	L197	L197-G199 PolarHBondContact O-N 3.31Å; L197-G199 VanDerWaalsContact O-N 3.12Å
200	T	94.4	Very high	96	Very high	10 Å²	10	38.2 Å²	38.2	6%	0.061	20%	0.204	C	C	.	.	S	Bend	trans	-75.7	167.1	169.9	66.3	0	0	0	0	111.6	L197 V203 Y441 R468 E471	L197-T200 HydrophobicContact CD2-CG2 4.36Å; L197-T200 VanDerWaalsContact O-CB 3.29Å; L197-T200 WeakPolarHBondContact O-CB 3.27Å; L197-T200 VanDerWaalsContact O-CG2 3.29Å; L197-T200 WeakPolarHBondContact O-CG2 3.5Å; L197-T200 PolarHBondContact O-N 3.37Å; L197-T200 PolarHBondContact O-OG1 3.02Å; T200-V203 WeakPolarHBondContact O-CG1 3.44Å; T200-V203 PolarHBondContact OG1-N 3Å; T200-Y441 HydrophobicContact CG2-CE1 4.18Å; T200-R468 HydrophobicContact CG2-CB 3.78Å; T200-R468 HydrophobicContact CG2-CG 3.71Å; T200-E471 WeakPolarHBondContact CA-OE2 3.44Å; T200-E471 VanDerWaalsContact CB-OE2 3.23Å; T200-E471 WeakPolarHBondContact CB-OE2 3.43Å
201	Q	92.8	Very high	96	Very high	48 Å²	48	34.1 Å²	34.1	22%	0.224	18%	0.184	C	C	.	.	S	Bend	trans	-78.2	-32.9	171.5	-56.6	-169.5	10.2	0	0	112.1	V203 K338 E471	Q201-V203 VanDerWaalsContact C-N 3.28Å; Q201-V203 PolarHBondContact O-N 3.27Å; Q201-K338 PolarHBondContact NE2-O 3.09Å; Q201-K338 VanDerWaalsContact OE1-CA 3.31Å; Q201-K338 VanDerWaalsContact OE1-CB 3.26Å; Q201-K338 PolarHBondContact OE1-O 3.37Å; Q201-E471 PolarHBondContact N-OE2 3.23Å
202	A	94.4	Very high	96.1	Very high	2 Å²	2	33.1 Å²	33.1	2%	0.017	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.9	-179.9	0	0	0	0	0	114.3	Q204 D205 V206 A319 I323 L467 E471	A202-Q204 VanDerWaalsContact C-N 3.26Å; A202-Q204 PolarHBondContact O-N 3.33Å; A202-D205 PolarHBondContact O-N 3.31Å; A202-D205 VanDerWaalsContact O-N 3.12Å; A202-V206 PolarHBondContact O-N 3.26Å; A202-V206 VanDerWaalsContact O-N 3.16Å; A202-A319 HydrophobicContact CB-CB 4.22Å; A202-I323 HydrophobicContact CB-CD1 4.24Å; A202-L467 HydrophobicContact CB-CD2 3.62Å; A202-L467 HydrophobicContact CB-CG 4.39Å; A202-E471 WeakPolarHBondContact CB-OE1 3.45Å; A202-E471 PolarHBondContact N-OE1 3.35Å
203	V	95.5	Very high	96.2	Very high	6 Å²	6	28.2 Å²	28.2	4%	0.036	16%	0.155	C	C	.	.	H	α-helix	trans	-58	-37.8	-173.7	73.3	0	0	0	0	112.9	L197 L198 T200 Q201 D205 V206 L207	L197-V203 HydrophobicContact CB-CB 4.15Å; L197-V203 HydrophobicContact CB-CG2 4.09Å; L197-V203 WeakPolarHBondContact O-CB 3.39Å; L198-V203 HydrophobicContact CD2-CG2 4.21Å; T200-V203 WeakPolarHBondContact O-CG1 3.44Å; T200-V203 PolarHBondContact OG1-N 3Å; Q201-V203 VanDerWaalsContact C-N 3.28Å; Q201-V203 PolarHBondContact O-N 3.27Å; V203-D205 VanDerWaalsContact C-N 3.31Å; V203-D205 PolarHBondContact O-N 3.49Å; V203-V206 WeakPolarHBondContact O-CB 3.1Å; V203-V206 PolarHBondContact O-N 2.99Å; V203-V206 VanDerWaalsContact O-N 3.14Å; V203-L207 HydrophobicContact CG2-CD2 4.36Å; V203-L207 HydrophobicContact CG2-CG 4.23Å; V203-L207 VanDerWaalsContact O-CG 3.3Å; V203-L207 WeakPolarHBondContact O-CG 3.22Å; V203-L207 PolarHBondContact O-N 3.25Å
204	Q	94	Very high	96.2	Very high	81 Å²	81	27.8 Å²	27.8	38%	0.379	15%	0.153	S	C	.	.	H	α-helix	trans	-62.7	-40.6	-179.3	-67.1	-58.3	-26	0	0	112.3	E46 A202 V206 L207 S208	E46-Q204 PolarHBondContact OE1-OE1 2.84Å; E46-Q204 VanDerWaalsContact OE2-CD 3.26Å; E46-Q204 PolarHBondContact OE2-NE2 3.48Å; E46-Q204 PolarHBondContact OE2-OE1 3.34Å; E46-Q204 VanDerWaalsContact OE2-OE1 3.07Å; A202-Q204 VanDerWaalsContact C-N 3.26Å; A202-Q204 PolarHBondContact O-N 3.33Å; Q204-V206 VanDerWaalsContact C-N 3.33Å; Q204-L207 PolarHBondContact O-N 3.29Å; Q204-S208 WeakPolarHBondContact O-CB 3.42Å; Q204-S208 PolarHBondContact O-N 2.85Å
205	D	96.2	Very high	96.3	Very high	62 Å²	62	31.6 Å²	31.6	33%	0.332	17%	0.167	S	C	.	.	H	α-helix	trans	-67	-37.8	177.4	-64.4	-28.6	0	0	0	110.2	A202 V203 Q209 I323 K338	A202-D205 PolarHBondContact O-N 3.31Å; A202-D205 VanDerWaalsContact O-N 3.12Å; V203-D205 VanDerWaalsContact C-N 3.31Å; V203-D205 PolarHBondContact O-N 3.49Å; D205-Q209 VanDerWaalsContact O-CB 3.27Å; D205-Q209 WeakPolarHBondContact O-CB 3.48Å; D205-Q209 PolarHBondContact O-N 2.82Å; D205-I323 HydrophobicContact CB-CD1 3.63Å; D205-K338 IonicContact OD1-NZ 3.28Å; D205-K338 IonicContact OD2-NZ 3.31Å; D205-K338 PolarHBondContact OD2-NZ 2.59Å
206	V	98	Very high	96.4	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-49	173.5	173.2	0	0	0	0	112.3	P186 V194 L197 A202 V203 Q204 S208 Q209 Y210 I323	P186-V206 HydrophobicContact CB-CB 4.36Å; P186-V206 HydrophobicContact CB-CG1 3.64Å; P186-V206 HydrophobicContact CB-CG2 3.98Å; P186-V206 HydrophobicContact CG-CG1 4.48Å; P186-V206 HydrophobicContact CG-CG2 3.92Å; V194-V206 HydrophobicContact CG1-CG1 3.9Å; V194-V206 HydrophobicContact CG2-CG1 4.35Å; L197-V206 HydrophobicContact CD1-CG2 3.97Å; A202-V206 PolarHBondContact O-N 3.26Å; A202-V206 VanDerWaalsContact O-N 3.16Å; V203-V206 WeakPolarHBondContact O-CB 3.1Å; V203-V206 PolarHBondContact O-N 2.99Å; V203-V206 VanDerWaalsContact O-N 3.14Å; Q204-V206 VanDerWaalsContact C-N 3.33Å; V206-S208 VanDerWaalsContact C-N 3.33Å; V206-S208 PolarHBondContact O-N 3.47Å; V206-Q209 PolarHBondContact O-N 2.79Å; V206-Y210 PolarHBondContact O-N 3.02Å; V206-Y210 VanDerWaalsContact O-N 3.09Å; V206-I323 HydrophobicContact CG2-CD1 4.13Å; V206-I323 HydrophobicContact CG2-CG1 3.94Å
207	L	97.2	Very high	96.5	Very high	15 Å²	15	26.8 Å²	26.8	8%	0.079	14%	0.143	C	C	.	.	H	α-helix	trans	-63.4	-42.3	179.4	-57.5	-170.3	0	0	0	110.8	E46 W47 Y50 V194 V203 Q204 Y210 K211	E46-L207 HydrophobicContact CB-CD1 3.82Å; W47-L207 HydrophobicContact CE3-CD2 4.42Å; Y50-L207 HydrophobicContact CD1-CD2 4.1Å; Y50-L207 HydrophobicContact CD2-CD2 3.59Å; Y50-L207 HydrophobicContact CE2-CD2 4.18Å; Y50-L207 HydrophobicContact CG-CD2 3.54Å; V194-L207 HydrophobicContact CG1-CD2 4.11Å; V203-L207 HydrophobicContact CG2-CD2 4.36Å; V203-L207 HydrophobicContact CG2-CG 4.23Å; V203-L207 VanDerWaalsContact O-CG 3.3Å; V203-L207 WeakPolarHBondContact O-CG 3.22Å; V203-L207 PolarHBondContact O-N 3.25Å; Q204-L207 PolarHBondContact O-N 3.29Å; L207-Y210 PolarHBondContact O-N 2.97Å; L207-K211 WeakPolarHBondContact O-CB 3.44Å; L207-K211 PolarHBondContact O-N 2.71Å
208	S	96.3	Very high	96.6	Very high	56 Å²	56	26.8 Å²	26.8	39%	0.392	14%	0.143	S	C	.	.	H	α-helix	trans	-62.8	-45.8	176.4	-174.3	0	0	0	0	111.8	Q204 V206 Y210 K211 N212	Q204-S208 WeakPolarHBondContact O-CB 3.42Å; Q204-S208 PolarHBondContact O-N 2.85Å; V206-S208 VanDerWaalsContact C-N 3.33Å; V206-S208 PolarHBondContact O-N 3.47Å; S208-Y210 VanDerWaalsContact C-N 3.33Å; S208-Y210 PolarHBondContact O-N 2.65Å; S208-K211 PolarHBondContact O-N 3.19Å; S208-N212 VanDerWaalsContact O-CB 3.26Å; S208-N212 WeakPolarHBondContact O-CB 3.4Å; S208-N212 PolarHBondContact O-N 2.92Å; S208-N212 PolarHBondContact O-ND2 3.19Å; S208-N212 VanDerWaalsContact O-ND2 3.15Å; S208-N212 PolarHBondContact OG-ND2 2.8Å
209	Q	98	Very high	96.8	Very high	20 Å²	20	28.9 Å²	28.9	9%	0.093	15%	0.15	C	C	.	.	H	α-helix	trans	-58	-44.8	177.2	-174.4	-172.8	68.7	0	0	111.6	L187 D205 V206 N212 T213 M252 I323	L187-Q209 HydrophobicContact CD2-CG 4.15Å; L187-Q209 HydrophobicContact CG-CG 4.38Å; D205-Q209 VanDerWaalsContact O-CB 3.27Å; D205-Q209 WeakPolarHBondContact O-CB 3.48Å; D205-Q209 PolarHBondContact O-N 2.82Å; V206-Q209 PolarHBondContact O-N 2.79Å; Q209-N212 PolarHBondContact O-N 3.39Å; Q209-T213 WeakPolarHBondContact O-CB 3.46Å; Q209-T213 PolarHBondContact O-N 2.75Å; Q209-T213 PolarHBondContact O-OG1 2.81Å; Q209-M252 PolarHBondContact NE2-SD 3.34Å; Q209-M252 VanDerWaalsContact NE2-SD 3.43Å; Q209-I323 PolarHBondContact NE2-O 3.14Å
210	Y	98.6	Very high	97.2	Very high	5 Å²	5	27.2 Å²	27.2	2%	0.02	13%	0.133	C	C	.	.	H	α-helix	trans	-64.9	-46.9	178.1	-162.7	-86.6	0	0	0	111.9	Y50 I53 R54 V57 L187 V206 L207 S208 N212 T213 A214	Y50-Y210 HydrophobicContact CD2-CD1 4.15Å; Y50-Y210 HydrophobicContact CD2-CG 4.18Å; Y50-Y210 AromaticContact CE2-CD1 3.88Å; Y50-Y210 HydrophobicContact CE2-CD1 3.88Å; Y50-Y210 HydrophobicContact CE2-CD2 4.01Å; Y50-Y210 HydrophobicContact CE2-CE1 4.49Å; Y50-Y210 AromaticContact CE2-CG 3.62Å; Y50-Y210 HydrophobicContact CE2-CG 3.62Å; I53-Y210 HydrophobicContact CG2-CD1 4.05Å; I53-Y210 HydrophobicContact CG2-CE1 4.01Å; R54-Y210 HydrophobicContact CB-CE1 4.05Å; R54-Y210 HydrophobicContact CG-CE1 4.48Å; V57-Y210 HydrophobicContact CB-CE1 4.44Å; V57-Y210 VanDerWaalsContact CG1-OH 3.32Å; V57-Y210 WeakPolarHBondContact CG1-OH 3.47Å; V57-Y210 HydrophobicContact CG2-CE1 4.11Å; L187-Y210 HydrophobicContact CD2-CD2 4.03Å; V206-Y210 PolarHBondContact O-N 3.02Å; V206-Y210 VanDerWaalsContact O-N 3.09Å; L207-Y210 PolarHBondContact O-N 2.97Å; S208-Y210 VanDerWaalsContact C-N 3.33Å; S208-Y210 PolarHBondContact O-N 2.65Å; Y210-N212 PolarHBondContact O-N 3.15Å; Y210-T213 PolarHBondContact O-N 2.95Å; Y210-A214 WeakPolarHBondContact O-CB 3.32Å; Y210-A214 PolarHBondContact O-N 3.45Å
211	K	98.3	Very high	97.4	Very high	26 Å²	26	28 Å²	28	11%	0.113	14%	0.135	C	C	.	.	H	α-helix	trans	-61	-44	176.9	179	170.4	-179.8	171.6	0	111.9	C36 S38 E49 I53 L207 S208 R215	C36-K211 HydrophobicContact CB-CG 4.17Å; C36-K211 WeakPolarHBondContact O-CE 3.36Å; S38-K211 PolarHBondContact O-NZ 3.01Å; E49-K211 IonicContact OE1-NZ 3.26Å; E49-K211 PolarHBondContact OE1-NZ 3.24Å; E49-K211 IonicContact OE2-NZ 2.59Å; E49-K211 PolarHBondContact OE2-NZ 3.23Å; I53-K211 HydrophobicContact CD1-CB 4.07Å; I53-K211 HydrophobicContact CD1-CD 4.03Å; I53-K211 HydrophobicContact CD1-CG 3.82Å; L207-K211 WeakPolarHBondContact O-CB 3.44Å; L207-K211 PolarHBondContact O-N 2.71Å; S208-K211 PolarHBondContact O-N 3.19Å; K211-R215 WeakPolarHBondContact O-CB 3.48Å; K211-R215 PolarHBondContact O-N 2.82Å
212	N	98.1	Very high	97.6	Very high	48 Å²	48	30.1 Å²	30.1	26%	0.257	14%	0.143	S	C	.	.	H	α-helix	trans	-65.2	-46.1	179.7	-69.3	-24.8	0	0	0	111.3	S208 Q209 Y210 A214 R215 Q216	S208-N212 VanDerWaalsContact O-CB 3.26Å; S208-N212 WeakPolarHBondContact O-CB 3.4Å; S208-N212 PolarHBondContact O-N 2.92Å; S208-N212 PolarHBondContact O-ND2 3.19Å; S208-N212 VanDerWaalsContact O-ND2 3.15Å; S208-N212 PolarHBondContact OG-ND2 2.8Å; Q209-N212 PolarHBondContact O-N 3.39Å; Y210-N212 PolarHBondContact O-N 3.15Å; N212-A214 PolarHBondContact O-N 3.22Å; N212-R215 PolarHBondContact O-N 3.36Å; N212-R215 PolarHBondContact OD1-NH1 3.12Å; N212-R215 PolarHBondContact OD1-NH2 3.04Å; N212-Q216 WeakPolarHBondContact O-CB 3.38Å; N212-Q216 VanDerWaalsContact O-CG 3.23Å; N212-Q216 WeakPolarHBondContact O-CG 3.3Å; N212-Q216 PolarHBondContact O-N 3.43Å
213	T	98.8	Very high	97.8	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-62.1	-45.1	177.7	-57	0	0	0	0	111.2	L187 Q209 Y210 R215 Q216 Y217 Y244 V248	L187-T213 HydrophobicContact CD1-CG2 4.11Å; L187-T213 HydrophobicContact CD2-CG2 4.28Å; Q209-T213 WeakPolarHBondContact O-CB 3.46Å; Q209-T213 PolarHBondContact O-N 2.75Å; Q209-T213 PolarHBondContact O-OG1 2.81Å; Y210-T213 PolarHBondContact O-N 2.95Å; T213-R215 PolarHBondContact O-N 2.87Å; T213-Q216 PolarHBondContact O-N 3.48Å; T213-Y217 WeakPolarHBondContact O-CB 3.44Å; T213-Y217 PolarHBondContact O-N 2.84Å; T213-Y244 HydrophobicContact CG2-CD1 3.97Å; T213-Y244 HydrophobicContact CG2-CE1 4.16Å; T213-V248 HydrophobicContact CG2-CG2 3.91Å
214	A	98.8	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.5	-40.8	176.8	0	0	0	0	0	112.6	L32 I53 V57 Y210 N212 A218 F241	L32-A214 HydrophobicContact CD1-CB 4.23Å; L32-A214 HydrophobicContact CD2-CB 4.35Å; I53-A214 HydrophobicContact CG2-CB 3.89Å; V57-A214 HydrophobicContact CG2-CB 3.89Å; Y210-A214 WeakPolarHBondContact O-CB 3.32Å; Y210-A214 PolarHBondContact O-N 3.45Å; N212-A214 PolarHBondContact O-N 3.22Å; A214-A218 WeakPolarHBondContact O-CB 3.42Å; A214-A218 PolarHBondContact O-N 2.83Å; A214-F241 HydrophobicContact CB-CE2 4.43Å
215	R	98.7	Very high	97.9	Very high	80 Å²	80	29.9 Å²	29.9	30%	0.302	14%	0.142	S	C	.	.	H	α-helix	trans	-61.8	-50	175	-172	169.4	59.8	-122.1	-2.6	111.5	L33 C36 K211 N212 T213 A218 Y219	L33-R215 HydrophobicContact CD1-CG 4.04Å; C36-R215 HydrophobicContact CB-CB 3.58Å; C36-R215 HydrophobicContact CB-CG 4.07Å; C36-R215 WeakPolarHBondContact O-CD 3.44Å; C36-R215 PolarHBondContact O-NH1 3.39Å; C36-R215 VanDerWaalsContact O-NH1 3.13Å; K211-R215 WeakPolarHBondContact O-CB 3.48Å; K211-R215 PolarHBondContact O-N 2.82Å; N212-R215 PolarHBondContact O-N 3.36Å; N212-R215 PolarHBondContact OD1-NH1 3.12Å; N212-R215 PolarHBondContact OD1-NH2 3.04Å; T213-R215 PolarHBondContact O-N 2.87Å; R215-A218 PolarHBondContact O-N 3.39Å; R215-Y219 WeakPolarHBondContact O-CB 3.5Å; R215-Y219 PolarHBondContact O-N 2.87Å
216	Q	98.7	Very high	97.9	Very high	29 Å²	29	31.2 Å²	31.2	14%	0.136	15%	0.153	C	C	.	.	H	α-helix	trans	-64	-45.9	-178.3	-71.9	164.4	-17.9	0	0	110.9	N212 T213 A218 Y219 F220 Y244	N212-Q216 WeakPolarHBondContact O-CB 3.38Å; N212-Q216 VanDerWaalsContact O-CG 3.23Å; N212-Q216 WeakPolarHBondContact O-CG 3.3Å; N212-Q216 PolarHBondContact O-N 3.43Å; T213-Q216 PolarHBondContact O-N 3.48Å; Q216-A218 VanDerWaalsContact C-N 3.34Å; Q216-A218 PolarHBondContact O-N 3.37Å; Q216-Y219 WeakPolarHBondContact O-CB 3.48Å; Q216-Y219 PolarHBondContact O-N 2.96Å; Q216-F220 HydrophobicContact CB-CD2 4.37Å; Q216-F220 HydrophobicContact CB-CE2 4.46Å; Q216-F220 WeakPolarHBondContact O-CD2 3.45Å; Q216-F220 PolarHBondContact O-N 3.03Å; Q216-Y244 HydrophobicContact CB-CE1 3.62Å; Q216-Y244 VanDerWaalsContact CB-OH 3.27Å; Q216-Y244 WeakPolarHBondContact CB-OH 3.21Å; Q216-Y244 PolarHBondContact OE1-OH 3.43Å
217	Y	98.8	Very high	97.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-53.7	-51.7	173.4	166.7	-108.5	0	0	0	111.5	I29 L32 I60 Q64 T213 Y219 F220 Y221 F239 T240 F241 Y244	I29-Y217 HydrophobicContact CD1-CD1 4.2Å; I29-Y217 HydrophobicContact CD1-CE1 3.32Å; L32-Y217 HydrophobicContact CD2-CD1 4.25Å; I60-Y217 HydrophobicContact CG2-CE1 4.22Å; Q64-Y217 PolarHBondContact NE2-OH 3.44Å; T213-Y217 WeakPolarHBondContact O-CB 3.44Å; T213-Y217 PolarHBondContact O-N 2.84Å; Y217-Y219 VanDerWaalsContact C-N 3.3Å; Y217-Y219 PolarHBondContact O-N 3.11Å; Y217-F220 PolarHBondContact O-N 3.31Å; Y217-Y221 AromaticContact CE2-CD2 3.99Å; Y217-Y221 HydrophobicContact CE2-CD2 3.99Å; Y217-Y221 AromaticContact CZ-CD2 3.87Å; Y217-Y221 WeakPolarHBondContact O-CB 3.36Å; Y217-Y221 PolarHBondContact O-N 2.99Å; Y217-Y221 WeakPolarHBondContact OH-CD2 3.33Å; Y217-F239 HydrophobicContact CD2-CE1 4.03Å; Y217-F239 HydrophobicContact CD2-CE2 4.34Å; Y217-F239 AromaticContact CD2-CZ 3.84Å; Y217-F239 HydrophobicContact CD2-CZ 3.84Å; Y217-F239 HydrophobicContact CE2-CD1 4.36Å; Y217-F239 HydrophobicContact CE2-CE1 4.15Å; Y217-F239 HydrophobicContact CE2-CZ 4.23Å; Y217-T240 VanDerWaalsContact CE2-O 3.3Å; Y217-T240 WeakPolarHBondContact CE2-O 3.34Å; Y217-F241 HydrophobicContact CD1-CB 4.16Å; Y217-F241 AromaticContact CD1-CD2 3.61Å; Y217-F241 HydrophobicContact CD1-CD2 3.61Å; Y217-F241 HydrophobicContact CD1-CG 4.38Å; Y217-F241 HydrophobicContact CD2-CB 4.46Å; Y217-F241 HydrophobicContact CE1-CB 3.87Å; Y217-F241 HydrophobicContact CE1-CD2 4.14Å; Y217-F241 HydrophobicContact CE2-CB 4.24Å; Y217-F241 VanDerWaalsContact CE2-N 3.31Å; Y217-F241 HydrophobicContact CG-CB 4.42Å; Y217-F241 AromaticContact CG-CD2 3.82Å; Y217-F241 HydrophobicContact CG-CD2 3.82Å; Y217-F241 PolarHBondContact OH-N 2.82Å; Y217-Y244 HydrophobicContact CD2-CG 4.32Å
218	A	98.8	Very high	97.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.5	-38.2	-178.1	0	0	0	0	0	112.4	I29 L32 L33 A214 R215 Q216 K222	I29-A218 HydrophobicContact CG2-CB 4.04Å; I29-A218 VanDerWaalsContact CG2-O 3.3Å; I29-A218 WeakPolarHBondContact CG2-O 3.36Å; L32-A218 HydrophobicContact CB-CB 4.3Å; L32-A218 HydrophobicContact CD2-CB 4.08Å; L32-A218 HydrophobicContact CG-CB 4.16Å; L33-A218 HydrophobicContact CB-CB 3.81Å; L33-A218 HydrophobicContact CD1-CB 4.39Å; A214-A218 WeakPolarHBondContact O-CB 3.42Å; A214-A218 PolarHBondContact O-N 2.83Å; R215-A218 PolarHBondContact O-N 3.39Å; Q216-A218 VanDerWaalsContact C-N 3.34Å; Q216-A218 PolarHBondContact O-N 3.37Å; A218-K222 PolarHBondContact O-N 2.94Å
219	Y	98.7	Very high	97.6	Very high	75 Å²	75	35.7 Å²	35.7	29%	0.294	18%	0.179	S	C	.	.	H	α-helix	trans	-61.3	-55.7	174.2	176.9	-93.6	0	0	0	111.6	D146 I148 R215 Q216 Y217 Y221 K222 L223	D146-Y219 WeakPolarHBondContact OD2-CE1 3.47Å; D146-Y219 PolarHBondContact OD2-OH 3.42Å; I148-Y219 HydrophobicContact CD1-CD1 3.85Å; I148-Y219 HydrophobicContact CD1-CD2 4.35Å; I148-Y219 HydrophobicContact CD1-CE1 3.64Å; I148-Y219 HydrophobicContact CD1-CE2 4.15Å; I148-Y219 HydrophobicContact CD1-CG 4.2Å; I148-Y219 HydrophobicContact CG1-CE1 4.33Å; R215-Y219 WeakPolarHBondContact O-CB 3.5Å; R215-Y219 PolarHBondContact O-N 2.87Å; Q216-Y219 WeakPolarHBondContact O-CB 3.48Å; Q216-Y219 PolarHBondContact O-N 2.96Å; Y217-Y219 VanDerWaalsContact C-N 3.3Å; Y217-Y219 PolarHBondContact O-N 3.11Å; Y219-Y221 VanDerWaalsContact C-N 3.32Å; Y219-Y221 PolarHBondContact O-N 2.86Å; Y219-K222 PolarHBondContact O-N 3.44Å; Y219-L223 HydrophobicContact CE1-CD2 4.2Å; Y219-L223 PolarHBondContact O-N 3.1Å
220	F	98.6	Very high	97.5	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-68.8	-31.8	-177.4	-75.4	-65.6	0	0	0	112.3	I148 M149 V155 L159 Q216 Y217 L223 V224 F239 Y244	I148-F220 HydrophobicContact CB-CZ 4.07Å; I148-F220 HydrophobicContact CG2-CE2 4.11Å; I148-F220 HydrophobicContact CG2-CZ 3.77Å; M149-F220 HydrophobicContact CG-CE1 3.73Å; M149-F220 HydrophobicContact CG-CZ 3.94Å; M149-F220 HydrophobicContact SD-CE1 4.03Å; V155-F220 HydrophobicContact CG1-CD2 4.29Å; V155-F220 HydrophobicContact CG1-CE2 3.31Å; V155-F220 HydrophobicContact CG1-CZ 3.52Å; L159-F220 HydrophobicContact CD1-CD1 3.72Å; L159-F220 HydrophobicContact CD1-CD2 4.43Å; L159-F220 HydrophobicContact CD1-CE1 3.68Å; L159-F220 HydrophobicContact CD1-CE2 4.41Å; L159-F220 HydrophobicContact CD1-CG 4.12Å; L159-F220 HydrophobicContact CD1-CZ 4.05Å; L159-F220 HydrophobicContact CD2-CG 4.46Å; Q216-F220 HydrophobicContact CB-CD2 4.37Å; Q216-F220 HydrophobicContact CB-CE2 4.46Å; Q216-F220 WeakPolarHBondContact O-CD2 3.45Å; Q216-F220 PolarHBondContact O-N 3.03Å; Y217-F220 PolarHBondContact O-N 3.31Å; F220-L223 HydrophobicContact CD1-CD2 3.85Å; F220-L223 HydrophobicContact CE1-CD2 4.03Å; F220-L223 PolarHBondContact O-N 3.23Å; F220-V224 WeakPolarHBondContact O-CB 3.37Å; F220-V224 VanDerWaalsContact O-CG2 3.28Å; F220-V224 WeakPolarHBondContact O-CG2 3.16Å; F220-V224 PolarHBondContact O-N 3.44Å; F220-F239 HydrophobicContact CB-CE1 3.97Å; F220-F239 HydrophobicContact CB-CZ 4.33Å; F220-Y244 HydrophobicContact CD2-CE2 4.39Å
221	Y	98.4	Very high	97.2	Very high	27 Å²	27	38.2 Å²	38.2	11%	0.106	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-50.1	173	-173.7	-77.5	0	0	0	109.9	M25 M26 I29 Y217 Y219 L223 Q225 F239	M25-Y221 HydrophobicContact CG-CE1 4.24Å; M25-Y221 HydrophobicContact CG-CE2 4.46Å; M25-Y221 VanDerWaalsContact CG-OH 3.25Å; M25-Y221 WeakPolarHBondContact CG-OH 3.32Å; M26-Y221 HydrophobicContact SD-CD1 3.88Å; M26-Y221 HydrophobicContact SD-CE1 3.55Å; M26-Y221 VanDerWaalsContact SD-CE1 3.55Å; I29-Y221 HydrophobicContact CB-CD1 4.2Å; I29-Y221 HydrophobicContact CD1-CD1 4.11Å; I29-Y221 HydrophobicContact CD1-CD2 4.25Å; I29-Y221 HydrophobicContact CD1-CG 3.93Å; I29-Y221 HydrophobicContact CG1-CD1 3.68Å; I29-Y221 HydrophobicContact CG1-CE1 3.92Å; I29-Y221 HydrophobicContact CG1-CG 4.04Å; I29-Y221 HydrophobicContact CG2-CD1 3.86Å; I29-Y221 HydrophobicContact CG2-CG 4.26Å; Y217-Y221 AromaticContact CE2-CD2 3.99Å; Y217-Y221 HydrophobicContact CE2-CD2 3.99Å; Y217-Y221 AromaticContact CZ-CD2 3.87Å; Y217-Y221 WeakPolarHBondContact O-CB 3.36Å; Y217-Y221 PolarHBondContact O-N 2.99Å; Y217-Y221 WeakPolarHBondContact OH-CD2 3.33Å; Y219-Y221 VanDerWaalsContact C-N 3.32Å; Y219-Y221 PolarHBondContact O-N 2.86Å; Y221-L223 PolarHBondContact O-N 3.03Å; Y221-Q225 HydrophobicContact CD1-CG 3.98Å; Y221-Q225 HydrophobicContact CE1-CG 3.71Å; Y221-Q225 WeakPolarHBondContact O-CB 3.43Å; Y221-Q225 WeakPolarHBondContact O-CG 3.46Å; Y221-Q225 PolarHBondContact O-N 2.83Å; Y221-F239 HydrophobicContact CD2-CD1 4.06Å; Y221-F239 WeakPolarHBondContact CD2-O 3.24Å; Y221-F239 VanDerWaalsContact CE2-O 3.24Å; Y221-F239 WeakPolarHBondContact CE2-O 3.39Å
222	K	97.5	Very high	97	Very high	92 Å²	92	45.2 Å²	45.2	40%	0.4	23%	0.23	S	C	.	.	H	α-helix	trans	-60.2	-46.8	175.9	-175	175.3	-178.2	179.8	0	111.2	M26 L33 A218 Y219 Q225 T226	M26-K222 HydrophobicContact CE-CG 4.11Å; L33-K222 HydrophobicContact CD2-CD 4.5Å; A218-K222 PolarHBondContact O-N 2.94Å; Y219-K222 PolarHBondContact O-N 3.44Å; K222-Q225 PolarHBondContact O-N 3.06Å; K222-T226 HydrophobicContact CG-CG2 4.48Å; K222-T226 WeakPolarHBondContact O-CG2 3.3Å; K222-T226 PolarHBondContact O-N 3.24Å; K222-T226 PolarHBondContact O-OG1 3.24Å
223	L	97.6	Very high	96.9	Very high	23 Å²	23	43 Å²	43	12%	0.12	22%	0.218	C	C	.	.	H	α-helix	trans	-57.8	-53.1	-179.8	-174.5	69.9	0	0	0	111.6	L142 D146 Y219 F220 Y221 Q225 T226 H227	L142-L223 HydrophobicContact CD1-CD1 4.48Å; L142-L223 HydrophobicContact CD1-CD2 3.96Å; L142-L223 HydrophobicContact CD1-CG 4.09Å; L142-L223 HydrophobicContact CD2-CD2 4.18Å; L142-L223 HydrophobicContact CG-CD2 4.27Å; D146-L223 HydrophobicContact CB-CD2 4.26Å; D146-L223 WeakPolarHBondContact OD2-CD2 3.35Å; Y219-L223 HydrophobicContact CE1-CD2 4.2Å; Y219-L223 PolarHBondContact O-N 3.1Å; F220-L223 HydrophobicContact CD1-CD2 3.85Å; F220-L223 HydrophobicContact CE1-CD2 4.03Å; F220-L223 PolarHBondContact O-N 3.23Å; Y221-L223 PolarHBondContact O-N 3.03Å; L223-Q225 VanDerWaalsContact C-N 3.27Å; L223-Q225 PolarHBondContact O-N 3.39Å; L223-T226 PolarHBondContact O-N 3.34Å; L223-H227 HydrophobicContact CD1-CB 3.9Å; L223-H227 HydrophobicContact CG-CB 4.28Å; L223-H227 WeakPolarHBondContact O-CB 3.31Å; L223-H227 PolarHBondContact O-N 2.84Å
224	V	96.9	Very high	96.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-58.7	-41	178.4	168.7	0	0	0	0	111	F220 A230 L235 K236	F220-V224 WeakPolarHBondContact O-CB 3.37Å; F220-V224 VanDerWaalsContact O-CG2 3.28Å; F220-V224 WeakPolarHBondContact O-CG2 3.16Å; F220-V224 PolarHBondContact O-N 3.44Å; V224-A230 HydrophobicContact CB-CB 4.44Å; V224-A230 HydrophobicContact CG1-CB 4.47Å; V224-L235 HydrophobicContact CG1-CB 3.98Å; V224-L235 WeakPolarHBondContact CG1-O 3.26Å; V224-L235 HydrophobicContact CG2-CB 4.39Å; V224-K236 HydrophobicContact CG1-CB 4.49Å; V224-K236 HydrophobicContact CG1-CD 4.34Å; V224-K236 WeakPolarHBondContact O-CD 3.22Å; V224-K236 PolarHBondContact O-NZ 3.04Å
225	Q	95.6	Very high	96.5	Very high	59 Å²	59	44.7 Å²	44.7	28%	0.276	23%	0.228	S	C	.	.	H	α-helix	trans	-73.6	-26.1	-178.7	-67.3	-56.8	-30.7	0	0	114	M26 Y221 K222 L223 K236	M26-Q225 HydrophobicContact SD-CB 4.1Å; M26-Q225 HydrophobicContact SD-CG 4.32Å; Y221-Q225 HydrophobicContact CD1-CG 3.98Å; Y221-Q225 HydrophobicContact CE1-CG 3.71Å; Y221-Q225 WeakPolarHBondContact O-CB 3.43Å; Y221-Q225 WeakPolarHBondContact O-CG 3.46Å; Y221-Q225 PolarHBondContact O-N 2.83Å; K222-Q225 PolarHBondContact O-N 3.06Å; L223-Q225 VanDerWaalsContact C-N 3.27Å; L223-Q225 PolarHBondContact O-N 3.39Å; Q225-K236 PolarHBondContact NE2-O 2.84Å; Q225-K236 PolarHBondContact O-NZ 2.78Å
226	T	95.7	Very high	96.3	Very high	90 Å²	90	43.4 Å²	43.4	55%	0.552	23%	0.225	S	C	*	.	H	α-helix	trans	-110.5	-26.3	-176.2	61.5	0	0	0	0	115.3	M26 K222 L223	M26-T226 HydrophobicContact CE-CG2 4.37Å; K222-T226 HydrophobicContact CG-CG2 4.48Å; K222-T226 WeakPolarHBondContact O-CG2 3.3Å; K222-T226 PolarHBondContact O-N 3.24Å; K222-T226 PolarHBondContact O-OG1 3.24Å; L223-T226 PolarHBondContact O-N 3.34Å
227	H	95.9	Very high	95.9	Very high	45 Å²	45	49.1 Å²	49.1	21%	0.208	26%	0.257	C	S	.	.			trans	-84.6	131.1	-168.6	-162.5	-84.6	0	0	0	112.1	L142 Q145 L223 A229 A230	L142-H227 HydrophobicContact CD1-CB 4.33Å; Q145-H227 PolarHBondContact OE1-CE1 3.34Å; L223-H227 HydrophobicContact CD1-CB 3.9Å; L223-H227 HydrophobicContact CG-CB 4.28Å; L223-H227 WeakPolarHBondContact O-CB 3.31Å; L223-H227 PolarHBondContact O-N 2.84Å; H227-A229 VanDerWaalsContact C-N 3.32Å; H227-A229 WeakPolarHBondContact ND1-CB 3.34Å; H227-A229 PolarHBondContact ND1-N 2.85Å; H227-A229 PolarHBondContact O-N 2.83Å; H227-A230 WeakPolarHBondContact O-CB 3.44Å; H227-A230 PolarHBondContact O-N 3.35Å; H227-A230 VanDerWaalsContact O-N 3.09Å
228	P	94.8	Very high	95.6	Very high	101 Å²	101	51.9 Å²	51.9	66%	0.656	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-60.3	-37.2	-177.7	-25.6	34.4	0	0	0	114	A230 S231	P228-A230 PolarHBondContact O-N 3.01Å; P228-A230 VanDerWaalsContact O-N 3.16Å; P228-S231 VanDerWaalsContact O-CB 3.25Å; P228-S231 WeakPolarHBondContact O-CB 3.41Å; P228-S231 PolarHBondContact O-N 3.06Å; P228-S231 VanDerWaalsContact O-N 3.07Å; P228-S231 PolarHBondContact O-OG 3.41Å
229	A	94.6	Very high	95.6	Very high	21 Å²	21	52.1 Å²	52.1	17%	0.174	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-63.9	-18.9	178.8	0	0	0	0	0	113.5	P141 L142 H227	P141-A229 HydrophobicContact CB-CB 4.25Å; L142-A229 HydrophobicContact CB-CB 4.44Å; L142-A229 HydrophobicContact CD1-CB 4.29Å; H227-A229 VanDerWaalsContact C-N 3.32Å; H227-A229 WeakPolarHBondContact ND1-CB 3.34Å; H227-A229 PolarHBondContact ND1-N 2.85Å; H227-A229 PolarHBondContact O-N 2.83Å
230	A	95.3	Very high	95.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-87.9	-4	177.3	0	0	0	0	0	113.6	L142 V224 H227 P228 K232 L233	L142-A230 HydrophobicContact CD1-CB 4.41Å; L142-A230 HydrophobicContact CD2-CB 4.26Å; V224-A230 HydrophobicContact CB-CB 4.44Å; V224-A230 HydrophobicContact CG1-CB 4.47Å; H227-A230 WeakPolarHBondContact O-CB 3.44Å; H227-A230 PolarHBondContact O-N 3.35Å; H227-A230 VanDerWaalsContact O-N 3.09Å; P228-A230 PolarHBondContact O-N 3.01Å; P228-A230 VanDerWaalsContact O-N 3.16Å; A230-K232 PolarHBondContact O-N 3.22Å; A230-K232 VanDerWaalsContact O-N 3.15Å; A230-L233 HydrophobicContact CB-CD1 3.91Å; A230-L233 HydrophobicContact CB-CG 4.44Å; A230-L233 WeakPolarHBondContact O-CB 3.13Å; A230-L233 PolarHBondContact O-N 3.27Å
231	S	93.5	Very high	95.5	Very high	77 Å²	77	49 Å²	49	54%	0.538	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.7	-173.3	54.8	0	0	0	0	114.8	P228	P228-S231 VanDerWaalsContact O-CB 3.25Å; P228-S231 WeakPolarHBondContact O-CB 3.41Å; P228-S231 PolarHBondContact O-N 3.06Å; P228-S231 VanDerWaalsContact O-N 3.07Å; P228-S231 PolarHBondContact O-OG 3.41Å
232	K	93.8	Very high	95.6	Very high	173 Å²	173	48.6 Å²	48.6	75%	0.752	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-2.5	179.1	-63	-177.9	179.4	179.8	0	113.5	A230	A230-K232 PolarHBondContact O-N 3.22Å; A230-K232 VanDerWaalsContact O-N 3.15Å
233	L	95.6	Very high	95.6	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	25%	0.247	C	C	.	.	S	Bend	trans	-76.6	137.8	-179.3	-61	-179.1	0	0	0	109.7	L138 L139 L142 A230 L235 K236	L138-L233 HydrophobicContact CB-CD2 4.09Å; L138-L233 VanDerWaalsContact O-CD2 3.25Å; L138-L233 WeakPolarHBondContact O-CD2 3.37Å; L139-L233 HydrophobicContact CD1-CD1 4.02Å; L139-L233 HydrophobicContact CD1-CD2 4.39Å; L142-L233 HydrophobicContact CD2-CD1 3.72Å; A230-L233 HydrophobicContact CB-CD1 3.91Å; A230-L233 HydrophobicContact CB-CG 4.44Å; A230-L233 WeakPolarHBondContact O-CB 3.13Å; A230-L233 PolarHBondContact O-N 3.27Å; L233-L235 HydrophobicContact CB-CB 4.3Å; L233-L235 PolarHBondContact O-N 3.49Å; L233-L235 VanDerWaalsContact O-N 3.13Å; L233-K236 WeakPolarHBondContact O-CB 3.41Å; L233-K236 PolarHBondContact O-N 2.85Å
234	P	94.7	Very high	95.7	Very high	34 Å²	34	43.3 Å²	43.3	22%	0.221	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-55.7	-30.5	172.3	-25.1	34	0	0	0	113	A166 K236 D237	A166-P234 HydrophobicContact CB-CB 3.41Å; A166-P234 VanDerWaalsContact CB-CB 3.41Å; A166-P234 HydrophobicContact CB-CG 4.09Å; P234-K236 PolarHBondContact O-N 3.45Å; P234-K236 VanDerWaalsContact O-N 3.07Å; P234-D237 PolarHBondContact O-N 2.91Å
235	L	95	Very high	95.8	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.031	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-57.1	-20.2	174.5	-67.9	166.9	0	0	0	113.8	L159 L162 C163 V224 L233 D237 S238 F239	L159-L235 HydrophobicContact CD2-CD1 4.35Å; L162-L235 HydrophobicContact CB-CD2 3.93Å; L162-L235 HydrophobicContact CD1-CD2 4.15Å; C163-L235 VanDerWaalsContact SG-CD1 3.53Å; V224-L235 HydrophobicContact CG1-CB 3.98Å; V224-L235 WeakPolarHBondContact CG1-O 3.26Å; V224-L235 HydrophobicContact CG2-CB 4.39Å; L233-L235 HydrophobicContact CB-CB 4.3Å; L233-L235 PolarHBondContact O-N 3.49Å; L233-L235 VanDerWaalsContact O-N 3.13Å; L235-D237 VanDerWaalsContact C-N 3.32Å; L235-S238 WeakPolarHBondContact CA-O 3.46Å; L235-S238 CarbonylContact O-C 3.5Å; L235-F239 HydrophobicContact CB-CB 4.32Å; L235-F239 HydrophobicContact CD2-CB 4.02Å; L235-F239 HydrophobicContact CD2-CD2 3.58Å; L235-F239 HydrophobicContact CD2-CE2 4.23Å; L235-F239 HydrophobicContact CD2-CG 3.93Å; L235-F239 WeakPolarHBondContact O-CB 3.39Å
236	K	94.4	Very high	95.9	Very high	54 Å²	54	41.4 Å²	41.4	24%	0.235	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-63.7	-40.4	178.1	-171.3	63.1	166.8	-170.5	0	111.8	V224 Q225 L233 P234	V224-K236 HydrophobicContact CG1-CB 4.49Å; V224-K236 HydrophobicContact CG1-CD 4.34Å; V224-K236 WeakPolarHBondContact O-CD 3.22Å; V224-K236 PolarHBondContact O-NZ 3.04Å; Q225-K236 PolarHBondContact NE2-O 2.84Å; Q225-K236 PolarHBondContact O-NZ 2.78Å; L233-K236 WeakPolarHBondContact O-CB 3.41Å; L233-K236 PolarHBondContact O-N 2.85Å; P234-K236 PolarHBondContact O-N 3.45Å; P234-K236 VanDerWaalsContact O-N 3.07Å
237	D	90.9	Very high	96.1	Very high	148 Å²	148	37.1 Å²	37.1	79%	0.791	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-35.6	-177.4	-63.8	-31	0	0	0	111.4	P234 L235	P234-D237 PolarHBondContact O-N 2.91Å; L235-D237 VanDerWaalsContact C-N 3.32Å
238	S	92.3	Very high	96.2	Very high	58 Å²	58	35.8 Å²	35.8	41%	0.406	20%	0.2	S	C	.	.			trans	-152.8	118.7	179.9	-146	0	0	0	0	111.5	S68 L235	S68-S238 VanDerWaalsContact OG-CB 3.25Å; S68-S238 WeakPolarHBondContact OG-CB 3.49Å; S68-S238 PolarHBondContact OG-OG 3.36Å; L235-S238 WeakPolarHBondContact CA-O 3.46Å; L235-S238 CarbonylContact O-C 3.5Å
239	F	97.2	Very high	96.4	Very high	6 Å²	6	31 Å²	31	3%	0.026	17%	0.169	C	C	.	.			trans	-147.3	108.8	172.1	176.9	-140.5	0	0	0	109.4	L162 Y217 F220 Y221 L235 D243 Y244	L162-F239 HydrophobicContact CD1-CD2 4.31Å; L162-F239 HydrophobicContact CD1-CE2 3.83Å; Y217-F239 HydrophobicContact CD2-CE1 4.03Å; Y217-F239 HydrophobicContact CD2-CE2 4.34Å; Y217-F239 AromaticContact CD2-CZ 3.84Å; Y217-F239 HydrophobicContact CD2-CZ 3.84Å; Y217-F239 HydrophobicContact CE2-CD1 4.36Å; Y217-F239 HydrophobicContact CE2-CE1 4.15Å; Y217-F239 HydrophobicContact CE2-CZ 4.23Å; F220-F239 HydrophobicContact CB-CE1 3.97Å; F220-F239 HydrophobicContact CB-CZ 4.33Å; Y221-F239 HydrophobicContact CD2-CD1 4.06Å; Y221-F239 WeakPolarHBondContact CD2-O 3.24Å; Y221-F239 VanDerWaalsContact CE2-O 3.24Å; Y221-F239 WeakPolarHBondContact CE2-O 3.39Å; L235-F239 HydrophobicContact CB-CB 4.32Å; L235-F239 HydrophobicContact CD2-CB 4.02Å; L235-F239 HydrophobicContact CD2-CD2 3.58Å; L235-F239 HydrophobicContact CD2-CE2 4.23Å; L235-F239 HydrophobicContact CD2-CG 3.93Å; L235-F239 WeakPolarHBondContact O-CB 3.39Å; F239-D243 HydrophobicContact CD2-CB 4.19Å; F239-D243 HydrophobicContact CE2-CB 4.47Å; F239-Y244 AromaticContact CE2-CD2 3.96Å; F239-Y244 HydrophobicContact CE2-CD2 3.96Å; F239-Y244 HydrophobicContact CE2-CG 4.26Å; F239-Y244 AromaticContact CZ-CD2 3.68Å; F239-Y244 HydrophobicContact CZ-CD2 3.68Å; F239-Y244 HydrophobicContact CZ-CG 4.04Å
240	T	98.3	Very high	96.6	Very high	6 Å²	6	30 Å²	30	4%	0.037	16%	0.161	C	C	.	.			trans	-106.4	166.3	-176.2	75.6	0	0	0	0	112.5	Q64 G66 Y217 D242 D243 Y244	Q64-T240 HydrophobicContact CB-CG2 4Å; Q64-T240 HydrophobicContact CG-CG2 4.33Å; G66-T240 WeakPolarHBondContact O-CB 3.23Å; G66-T240 VanDerWaalsContact O-CG2 3.26Å; G66-T240 WeakPolarHBondContact O-CG2 3.4Å; G66-T240 PolarHBondContact O-OG1 2.87Å; Y217-T240 VanDerWaalsContact CE2-O 3.3Å; Y217-T240 WeakPolarHBondContact CE2-O 3.34Å; T240-D242 PolarHBondContact O-N 2.84Å; T240-D242 PolarHBondContact OG1-N 3.03Å; T240-D243 PolarHBondContact N-OD2 3.04Å; T240-D243 WeakPolarHBondContact O-CB 3.41Å; T240-D243 PolarHBondContact O-N 2.96Å; T240-D243 VanDerWaalsContact OG1-CG 3.28Å; T240-D243 PolarHBondContact OG1-N 2.97Å; T240-D243 PolarHBondContact OG1-OD2 2.87Å; T240-Y244 PolarHBondContact O-N 3.08Å
241	F	98.6	Very high	96.7	Very high	3 Å²	3	30.1 Å²	30.1	1%	0.013	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-34.6	171.8	179.1	-90.3	0	0	0	111.2	V57 R61 A214 Y217 Y244 R245	V57-F241 HydrophobicContact CG1-CD1 3.71Å; V57-F241 HydrophobicContact CG1-CD2 3.93Å; V57-F241 HydrophobicContact CG1-CE1 3.46Å; V57-F241 VanDerWaalsContact CG1-CE1 3.46Å; V57-F241 HydrophobicContact CG1-CE2 3.71Å; V57-F241 HydrophobicContact CG1-CG 3.93Å; V57-F241 HydrophobicContact CG1-CZ 3.47Å; V57-F241 VanDerWaalsContact CG1-CZ 3.47Å; V57-F241 HydrophobicContact CG2-CE2 4.08Å; V57-F241 HydrophobicContact CG2-CZ 4.39Å; R61-F241 VanDerWaalsContact CD-CD1 3.45Å; R61-F241 HydrophobicContact CG-CB 3.96Å; R61-F241 HydrophobicContact CG-CD1 3.7Å; R61-F241 HydrophobicContact CG-CG 4.1Å; A214-F241 HydrophobicContact CB-CE2 4.43Å; Y217-F241 HydrophobicContact CD1-CB 4.16Å; Y217-F241 AromaticContact CD1-CD2 3.61Å; Y217-F241 HydrophobicContact CD1-CD2 3.61Å; Y217-F241 HydrophobicContact CD1-CG 4.38Å; Y217-F241 HydrophobicContact CD2-CB 4.46Å; Y217-F241 HydrophobicContact CE1-CB 3.87Å; Y217-F241 HydrophobicContact CE1-CD2 4.14Å; Y217-F241 HydrophobicContact CE2-CB 4.24Å; Y217-F241 VanDerWaalsContact CE2-N 3.31Å; Y217-F241 HydrophobicContact CG-CB 4.42Å; Y217-F241 AromaticContact CG-CD2 3.82Å; Y217-F241 HydrophobicContact CG-CD2 3.82Å; Y217-F241 PolarHBondContact OH-N 2.82Å; F241-Y244 PolarHBondContact O-N 2.91Å; F241-R245 HydrophobicContact CD1-CB 4.38Å; F241-R245 HydrophobicContact CE1-CB 4.09Å; F241-R245 VanDerWaalsContact O-CB 3.24Å; F241-R245 WeakPolarHBondContact O-CB 3.26Å; F241-R245 PolarHBondContact O-N 2.91Å
242	D	98.5	Very high	96.9	Very high	19 Å²	19	27.9 Å²	27.9	10%	0.102	14%	0.143	C	C	.	.	H	α-helix	trans	-68.1	-35.5	178.3	-75.4	-36.9	0	0	0	112	R61 G66 L67 T240 R245 W246	R61-D242 IonicContact CZ-OD1 3.58Å; R61-D242 VanDerWaalsContact CZ-OD1 3.23Å; R61-D242 IonicContact CZ-OD2 2.88Å; R61-D242 IonicContact NE-OD1 3.99Å; R61-D242 PolarHBondContact NE-OD1 2.94Å; R61-D242 IonicContact NE-OD2 3.73Å; R61-D242 IonicContact NH2-OD1 2.74Å; R61-D242 PolarHBondContact NH2-OD1 2.88Å; R61-D242 IonicContact NH2-OD2 2.87Å; R61-D242 PolarHBondContact NH2-OD2 3.17Å; G66-D242 WeakPolarHBondContact CA-OD2 3.26Å; L67-D242 HydrophobicContact CD2-CB 4.47Å; L67-D242 WeakPolarHBondContact CD2-O 3.46Å; T240-D242 PolarHBondContact O-N 2.84Å; T240-D242 PolarHBondContact OG1-N 3.03Å; D242-R245 IonicContact OD1-CZ 2.71Å; D242-R245 VanDerWaalsContact OD1-CZ 3.31Å; D242-R245 IonicContact OD1-NE 2.88Å; D242-R245 PolarHBondContact OD1-NE 3.36Å; D242-R245 IonicContact OD1-NH2 3.28Å; D242-R245 PolarHBondContact OD1-NH2 2.98Å; D242-W246 VanDerWaalsContact O-CB 3.22Å; D242-W246 WeakPolarHBondContact O-CB 3.31Å; D242-W246 PolarHBondContact O-N 2.89Å
243	D	98.7	Very high	97.1	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.027	11%	0.111	C	C	.	.	H	α-helix	trans	-59.2	-52.6	170.3	-64.2	-35.6	0	0	0	110.8	L67 S68 L162 F239 T240 R245 W246 A247	L67-D243 WeakPolarHBondContact CA-OD1 3.15Å; S68-D243 WeakPolarHBondContact CB-OD2 3.39Å; S68-D243 PolarHBondContact N-OD1 3.16Å; S68-D243 PolarHBondContact OG-OD2 2.87Å; L162-D243 HydrophobicContact CD1-CB 4.12Å; L162-D243 HydrophobicContact CD2-CB 3.83Å; F239-D243 HydrophobicContact CD2-CB 4.19Å; F239-D243 HydrophobicContact CE2-CB 4.47Å; T240-D243 PolarHBondContact N-OD2 3.04Å; T240-D243 WeakPolarHBondContact O-CB 3.41Å; T240-D243 PolarHBondContact O-N 2.96Å; T240-D243 VanDerWaalsContact OG1-CG 3.28Å; T240-D243 PolarHBondContact OG1-N 2.97Å; T240-D243 PolarHBondContact OG1-OD2 2.87Å; D243-R245 PolarHBondContact O-N 3.1Å; D243-W246 PolarHBondContact O-N 3.37Å; D243-A247 WeakPolarHBondContact O-CB 3.39Å; D243-A247 PolarHBondContact O-N 2.95Å
244	Y	98.8	Very high	97.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.8	-43.9	-176.3	-165.3	-110.1	0	0	0	111.8	L159 T213 Q216 Y217 F220 F239 T240 F241 A247 V248	L159-Y244 HydrophobicContact CD2-CD2 4.45Å; L159-Y244 HydrophobicContact CD2-CE2 4.2Å; T213-Y244 HydrophobicContact CG2-CD1 3.97Å; T213-Y244 HydrophobicContact CG2-CE1 4.16Å; Q216-Y244 HydrophobicContact CB-CE1 3.62Å; Q216-Y244 VanDerWaalsContact CB-OH 3.27Å; Q216-Y244 WeakPolarHBondContact CB-OH 3.21Å; Q216-Y244 PolarHBondContact OE1-OH 3.43Å; Y217-Y244 HydrophobicContact CD2-CG 4.32Å; F220-Y244 HydrophobicContact CD2-CE2 4.39Å; F239-Y244 AromaticContact CE2-CD2 3.96Å; F239-Y244 HydrophobicContact CE2-CD2 3.96Å; F239-Y244 HydrophobicContact CE2-CG 4.26Å; F239-Y244 AromaticContact CZ-CD2 3.68Å; F239-Y244 HydrophobicContact CZ-CD2 3.68Å; F239-Y244 HydrophobicContact CZ-CG 4.04Å; T240-Y244 PolarHBondContact O-N 3.08Å; F241-Y244 PolarHBondContact O-N 2.91Å; Y244-A247 PolarHBondContact O-N 3.19Å; Y244-V248 HydrophobicContact CD1-CG1 4.14Å; Y244-V248 HydrophobicContact CD2-CG1 4.49Å; Y244-V248 HydrophobicContact CE1-CG1 3.69Å; Y244-V248 HydrophobicContact CE2-CG1 4.07Å; Y244-V248 WeakPolarHBondContact O-CG1 3.41Å; Y244-V248 WeakPolarHBondContact O-CG2 3.31Å; Y244-V248 PolarHBondContact O-N 2.88Å
245	R	98.8	Very high	97.4	Very high	20 Å²	20	23.2 Å²	23.2	8%	0.075	12%	0.12	C	C	.	.	H	α-helix	trans	-57.5	-49	174.9	177.8	173	61	144.8	15.2	111.2	L187 Y188 F241 D242 D243 A247 V248 S249	L187-R245 HydrophobicContact CB-CG 3.94Å; L187-R245 HydrophobicContact CD1-CG 4.27Å; L187-R245 WeakPolarHBondContact O-CD 3.16Å; L187-R245 PolarHBondContact O-NH1 3.44Å; Y188-R245 HydrophobicContact CD2-CG 4.41Å; Y188-R245 HydrophobicContact CE2-CG 3.75Å; F241-R245 HydrophobicContact CD1-CB 4.38Å; F241-R245 HydrophobicContact CE1-CB 4.09Å; F241-R245 VanDerWaalsContact O-CB 3.24Å; F241-R245 WeakPolarHBondContact O-CB 3.26Å; F241-R245 PolarHBondContact O-N 2.91Å; D242-R245 IonicContact OD1-CZ 2.71Å; D242-R245 VanDerWaalsContact OD1-CZ 3.31Å; D242-R245 IonicContact OD1-NE 2.88Å; D242-R245 PolarHBondContact OD1-NE 3.36Å; D242-R245 IonicContact OD1-NH2 3.28Å; D242-R245 PolarHBondContact OD1-NH2 2.98Å; D243-R245 PolarHBondContact O-N 3.1Å; R245-A247 VanDerWaalsContact C-N 3.33Å; R245-A247 PolarHBondContact O-N 3.21Å; R245-V248 WeakPolarHBondContact O-CG2 3.3Å; R245-S249 WeakPolarHBondContact O-CB 3.4Å; R245-S249 PolarHBondContact O-N 3.4Å; R245-S249 PolarHBondContact O-OG 2.98Å
246	W	98.8	Very high	97.6	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-60.4	-42.7	177.3	172.7	85	0	0	0	112	L67 L161 L162 R165 I176 L179 P180 Q181 Y183 Y188 D242 D243 S249 S250	L67-W246 HydrophobicContact CD2-CB 3.74Å; L67-W246 HydrophobicContact CD2-CG 4.07Å; L161-W246 HydrophobicContact CD1-CH2 4.2Å; L161-W246 HydrophobicContact CD2-CH2 3.74Å; L161-W246 HydrophobicContact CD2-CZ3 3.74Å; L161-W246 HydrophobicContact CG-CH2 3.82Å; L161-W246 HydrophobicContact CG-CZ3 3.77Å; L162-W246 HydrophobicContact CD2-CE3 3.89Å; L162-W246 HydrophobicContact CD2-CZ3 4.02Å; R165-W246 VanDerWaalsContact NH1-CZ2 3.3Å; I176-W246 HydrophobicContact CG2-CH2 4.4Å; L179-W246 HydrophobicContact CB-CZ2 4.13Å; L179-W246 HydrophobicContact CD1-CH2 4.05Å; L179-W246 HydrophobicContact CD1-CZ2 3.94Å; P180-W246 PolarHBondContact O-NE1 2.94Å; Q181-W246 VanDerWaalsContact O-CD1 3.23Å; Y183-W246 AromaticContact CE2-CD1 3.68Å; Y183-W246 HydrophobicContact CE2-CG 4.38Å; Y183-W246 AromaticContact CE2-NE1 3.81Å; Y188-W246 WeakPolarHBondContact OH-CA 3.18Å; D242-W246 VanDerWaalsContact O-CB 3.22Å; D242-W246 WeakPolarHBondContact O-CB 3.31Å; D242-W246 PolarHBondContact O-N 2.89Å; D243-W246 PolarHBondContact O-N 3.37Å; W246-S249 PolarHBondContact O-N 2.96Å; W246-S250 WeakPolarHBondContact O-CB 3.44Å; W246-S250 PolarHBondContact O-N 3.48Å; W246-S250 PolarHBondContact O-OG 3.47Å
247	A	98.8	Very high	97.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.7	-45.7	-178.5	0	0	0	0	0	112.7	A158 L162 D243 Y244 R245 S249 S250 V251	A158-A247 HydrophobicContact CB-CB 3.94Å; A158-A247 WeakPolarHBondContact O-CB 3.37Å; L162-A247 HydrophobicContact CD1-CB 3.76Å; L162-A247 HydrophobicContact CD2-CB 3.89Å; L162-A247 HydrophobicContact CG-CB 3.55Å; D243-A247 WeakPolarHBondContact O-CB 3.39Å; D243-A247 PolarHBondContact O-N 2.95Å; Y244-A247 PolarHBondContact O-N 3.19Å; R245-A247 VanDerWaalsContact C-N 3.33Å; R245-A247 PolarHBondContact O-N 3.21Å; A247-S249 VanDerWaalsContact C-N 3.32Å; A247-S249 PolarHBondContact O-N 3.45Å; A247-S250 WeakPolarHBondContact O-CB 3.4Å; A247-S250 PolarHBondContact O-N 3.13Å; A247-V251 WeakPolarHBondContact O-CG2 3.47Å; A247-V251 PolarHBondContact O-N 3.22Å
248	V	98.7	Very high	98.1	Very high	16 Å²	16	22.5 Å²	22.5	10%	0.097	11%	0.114	C	C	.	.	H	α-helix	trans	-67.1	-34.9	177.1	-59.6	0	0	0	0	111.7	A158 L187 T213 Y244 R245 V251 M252	A158-V248 HydrophobicContact CB-CG1 4Å; L187-V248 HydrophobicContact CD1-CG2 3.73Å; T213-V248 HydrophobicContact CG2-CG2 3.91Å; Y244-V248 HydrophobicContact CD1-CG1 4.14Å; Y244-V248 HydrophobicContact CD2-CG1 4.49Å; Y244-V248 HydrophobicContact CE1-CG1 3.69Å; Y244-V248 HydrophobicContact CE2-CG1 4.07Å; Y244-V248 WeakPolarHBondContact O-CG1 3.41Å; Y244-V248 WeakPolarHBondContact O-CG2 3.31Å; Y244-V248 PolarHBondContact O-N 2.88Å; R245-V248 WeakPolarHBondContact O-CG2 3.3Å; V248-V251 PolarHBondContact O-N 3.1Å; V248-M252 HydrophobicContact CB-CE 4.13Å; V248-M252 HydrophobicContact CG2-CE 3.91Å; V248-M252 WeakPolarHBondContact O-CB 3.34Å; V248-M252 VanDerWaalsContact O-CE 3.26Å; V248-M252 WeakPolarHBondContact O-CE 3.44Å; V248-M252 VanDerWaalsContact O-CG 3.32Å; V248-M252 WeakPolarHBondContact O-CG 3.48Å; V248-M252 PolarHBondContact O-N 2.97Å
249	S	98.8	Very high	98.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.8	-40.4	173.7	-68.6	0	0	0	0	111.9	T185 Y188 R245 W246 A247 V251 T253	T185-S249 PolarHBondContact OG1-OG 3.47Å; Y188-S249 WeakPolarHBondContact CE2-OG 3.23Å; R245-S249 WeakPolarHBondContact O-CB 3.4Å; R245-S249 PolarHBondContact O-N 3.4Å; R245-S249 PolarHBondContact O-OG 2.98Å; W246-S249 PolarHBondContact O-N 2.96Å; A247-S249 VanDerWaalsContact C-N 3.32Å; A247-S249 PolarHBondContact O-N 3.45Å; S249-V251 VanDerWaalsContact C-N 3.34Å; S249-V251 PolarHBondContact O-N 3.07Å; S249-T253 WeakPolarHBondContact O-CB 3.42Å; S249-T253 WeakPolarHBondContact O-CG2 3.47Å; S249-T253 PolarHBondContact O-N 2.95Å; S249-T253 VanDerWaalsContact O-N 3.13Å; S249-T253 PolarHBondContact O-OG1 3.12Å
250	S	98.8	Very high	98.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.6	-47.6	172.8	-55.6	0	0	0	0	111	L161 Y183 W246 A247 T253 R254	L161-S250 VanDerWaalsContact CD2-CB 3.49Å; Y183-S250 VanDerWaalsContact CE2-OG 3.26Å; Y183-S250 WeakPolarHBondContact CE2-OG 3.49Å; Y183-S250 VanDerWaalsContact CZ-OG 3.31Å; Y183-S250 VanDerWaalsContact OH-CA 3.32Å; Y183-S250 WeakPolarHBondContact OH-CA 3.4Å; Y183-S250 VanDerWaalsContact OH-CB 3.25Å; Y183-S250 WeakPolarHBondContact OH-CB 3.47Å; Y183-S250 PolarHBondContact OH-OG 2.81Å; W246-S250 WeakPolarHBondContact O-CB 3.44Å; W246-S250 PolarHBondContact O-N 3.48Å; W246-S250 PolarHBondContact O-OG 3.47Å; A247-S250 WeakPolarHBondContact O-CB 3.4Å; A247-S250 PolarHBondContact O-N 3.13Å; S250-T253 PolarHBondContact O-OG1 2.93Å; S250-R254 WeakPolarHBondContact O-CB 3.48Å; S250-R254 PolarHBondContact O-N 2.88Å
251	V	98.7	Very high	97.8	Very high	3 Å²	3	28 Å²	28	2%	0.018	14%	0.136	C	C	.	.	H	α-helix	trans	-67.9	-50.4	-180	172.6	0	0	0	0	111.7	N154 L157 A158 A247 V248 S249 T253 R254 Q255	N154-V251 HydrophobicContact CB-CG1 4.15Å; L157-V251 HydrophobicContact CB-CG1 4.16Å; L157-V251 HydrophobicContact CB-CG2 3.87Å; L157-V251 HydrophobicContact CD1-CG1 4.36Å; A158-V251 HydrophobicContact CB-CG2 4.06Å; A247-V251 WeakPolarHBondContact O-CG2 3.47Å; A247-V251 PolarHBondContact O-N 3.22Å; V248-V251 PolarHBondContact O-N 3.1Å; S249-V251 VanDerWaalsContact C-N 3.34Å; S249-V251 PolarHBondContact O-N 3.07Å; V251-T253 PolarHBondContact O-N 2.79Å; V251-R254 PolarHBondContact O-N 3.14Å; V251-Q255 HydrophobicContact CG1-CB 3.98Å; V251-Q255 HydrophobicContact CG1-CG 4.32Å; V251-Q255 VanDerWaalsContact CG1-OE1 3.31Å; V251-Q255 WeakPolarHBondContact O-CB 3.29Å; V251-Q255 WeakPolarHBondContact O-CG 3.29Å; V251-Q255 PolarHBondContact O-N 2.86Å
252	M	97.8	Very high	97.5	Very high	30 Å²	30	32.8 Å²	32.8	15%	0.148	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-31.2	-175.1	73.6	179.7	79.1	0	0	112.9	T185 L187 Q209 V248 H324	T185-M252 HydrophobicContact CG2-CG 4.38Å; T185-M252 HydrophobicContact CG2-SD 3.88Å; L187-M252 HydrophobicContact CD1-CE 3.78Å; Q209-M252 PolarHBondContact NE2-SD 3.34Å; Q209-M252 VanDerWaalsContact NE2-SD 3.43Å; V248-M252 HydrophobicContact CB-CE 4.13Å; V248-M252 HydrophobicContact CG2-CE 3.91Å; V248-M252 WeakPolarHBondContact O-CB 3.34Å; V248-M252 VanDerWaalsContact O-CE 3.26Å; V248-M252 WeakPolarHBondContact O-CE 3.44Å; V248-M252 VanDerWaalsContact O-CG 3.32Å; V248-M252 WeakPolarHBondContact O-CG 3.48Å; V248-M252 PolarHBondContact O-N 2.97Å; M252-H324 CarbonylContact C-O 3.29Å; M252-H324 VanDerWaalsContact C-O 3.29Å; M252-H324 WeakPolarHBondContact CG-O 3.33Å
253	T	98.2	Very high	97.2	Very high	13 Å²	13	33.6 Å²	33.6	8%	0.08	17%	0.174	C	C	.	.	H	α-helix	trans	-81	-19.4	-178.6	60.1	0	0	0	0	113.3	Y183 T185 S249 S250 V251 H324 N325	Y183-T253 HydrophobicContact CD1-CG2 4.22Å; T185-T253 HydrophobicContact CG2-CG2 3.82Å; S249-T253 WeakPolarHBondContact O-CB 3.42Å; S249-T253 WeakPolarHBondContact O-CG2 3.47Å; S249-T253 PolarHBondContact O-N 2.95Å; S249-T253 VanDerWaalsContact O-N 3.13Å; S249-T253 PolarHBondContact O-OG1 3.12Å; S250-T253 PolarHBondContact O-OG1 2.93Å; V251-T253 PolarHBondContact O-N 2.79Å; T253-H324 WeakPolarHBondContact CA-O 3.26Å; T253-H324 WeakPolarHBondContact CG2-O 3.35Å; T253-H324 PolarHBondContact N-O 3.22Å; T253-N325 PolarHBondContact O-ND2 2.72Å
254	R	98.5	Very high	97	Very high	47 Å²	47	37 Å²	37	18%	0.177	20%	0.198	C	C	.	.	H	α-helix	trans	-134.7	-4.9	-168.8	-69.6	164.7	168.8	62.5	9.2	116.2	Y183 S250 V251 N256 L270 D275	Y183-R254 VanDerWaalsContact CE1-NH1 3.3Å; S250-R254 WeakPolarHBondContact O-CB 3.48Å; S250-R254 PolarHBondContact O-N 2.88Å; V251-R254 PolarHBondContact O-N 3.14Å; R254-N256 PolarHBondContact O-ND2 3.44Å; R254-L270 HydrophobicContact CB-CD2 3.99Å; R254-D275 HydrophobicContact CB-CB 4.44Å; R254-D275 WeakPolarHBondContact CD-OD2 3.42Å; R254-D275 HydrophobicContact CG-CB 4.33Å; R254-D275 IonicContact NE-OD2 3.51Å
255	Q	97.8	Very high	96.8	Very high	53 Å²	53	45 Å²	45	25%	0.248	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	144.9	-179.6	68.9	-175.2	-20.6	0	0	112.1	N154 V251 A269 L270	N154-Q255 VanDerWaalsContact CB-OE1 3.29Å; V251-Q255 HydrophobicContact CG1-CB 3.98Å; V251-Q255 HydrophobicContact CG1-CG 4.32Å; V251-Q255 VanDerWaalsContact CG1-OE1 3.31Å; V251-Q255 WeakPolarHBondContact O-CB 3.29Å; V251-Q255 WeakPolarHBondContact O-CG 3.29Å; V251-Q255 PolarHBondContact O-N 2.86Å; Q255-A269 CarbonylContact C-O 3.58Å; Q255-A269 WeakPolarHBondContact CA-O 3.28Å; Q255-L270 HydrophobicContact CB-CD2 4.44Å
256	N	98.3	Very high	96.7	Very high	41 Å²	41	48.9 Å²	48.9	22%	0.219	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153	177.9	-61.9	-82.2	0	0	0	110	R254 L268 A269 I271 W274	R254-N256 PolarHBondContact O-ND2 3.44Å; N256-L268 CarbonylContact O-C 3.54Å; N256-L268 WeakPolarHBondContact O-CA 3.34Å; N256-A269 PolarHBondContact N-O 2.69Å; N256-A269 PolarHBondContact O-N 3.07Å; N256-I271 HydrophobicContact CB-CD1 3.71Å; N256-I271 HydrophobicContact CB-CG1 4.41Å; N256-W274 VanDerWaalsContact ND2-CZ3 3.28Å; N256-W274 WeakPolarHBondContact ND2-CZ3 3.32Å; N256-W274 VanDerWaalsContact OD1-CH2 3.25Å; N256-W274 WeakPolarHBondContact OD1-CH2 3.46Å; N256-W274 WeakPolarHBondContact OD1-CZ3 3.41Å
257	Q	97.9	Very high	96.7	Very high	146 Å²	146	49.4 Å²	49.4	68%	0.682	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	127.6	168.2	-71.7	-177.7	-33.4	0	0	108.9	T267 L268	Q257-T267 WeakPolarHBondContact CA-O 3.22Å; Q257-L268 HydrophobicContact CG-CD2 3.7Å
258	I	97.7	Very high	96.6	Very high	6 Å²	6	51 Å²	51	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	155.6	174.5	64.6	169.3	0	0	0	109	L128 T130 V266 T267 A269 I271 Y288	L128-I258 HydrophobicContact CD2-CD1 3.52Å; T130-I258 HydrophobicContact CG2-CD1 4.28Å; I258-V266 CarbonylContact O-C 3.31Å; I258-V266 WeakPolarHBondContact O-CA 3.44Å; I258-T267 HydrophobicContact CD1-CG2 4.19Å; I258-T267 HydrophobicContact CG1-CG2 3.62Å; I258-T267 PolarHBondContact N-O 3.15Å; I258-T267 PolarHBondContact O-N 2.88Å; I258-A269 HydrophobicContact CD1-CB 3.65Å; I258-A269 HydrophobicContact CG1-CB 3.94Å; I258-A269 HydrophobicContact CG2-CB 4.48Å; I258-I271 HydrophobicContact CG2-CD1 4.35Å; I258-Y288 HydrophobicContact CB-CD2 3.8Å; I258-Y288 HydrophobicContact CB-CE2 4.12Å; I258-Y288 HydrophobicContact CB-CG 4.48Å; I258-Y288 HydrophobicContact CD1-CE2 3.98Å; I258-Y288 HydrophobicContact CG2-CD2 3.79Å; I258-Y288 HydrophobicContact CG2-CE2 4.23Å
259	P	97.6	Very high	96.6	Very high	29 Å²	29	50.3 Å²	50.3	19%	0.188	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	155.1	169.9	27.9	-35.4	0	0	0	111	R125 R265 Y288 L290	R125-P259 PolarHBondContact NH1-O 2.9Å; R125-P259 PolarHBondContact NH2-O 3.22Å; P259-R265 CarbonylContact C-O 3.59Å; P259-R265 VanDerWaalsContact CA-O 3.29Å; P259-R265 WeakPolarHBondContact CA-O 3.41Å; P259-Y288 HydrophobicContact CG-CD1 3.43Å; P259-Y288 VanDerWaalsContact CG-CD1 3.43Å; P259-Y288 HydrophobicContact CG-CE1 4.16Å; P259-Y288 HydrophobicContact CG-CG 3.67Å; P259-L290 HydrophobicContact CB-CD2 3.99Å; P259-L290 HydrophobicContact CG-CD2 3.69Å; P259-L290 HydrophobicContact CG-CG 4.19Å
260	T	94.5	Very high	96.6	Very high	8 Å²	8	50.3 Å²	50.3	5%	0.049	26%	0.262	C	S	.	.			trans	-68.6	164.4	165.3	46.6	0	0	0	0	110.6	D262 G263 R265 T267	T260-D262 VanDerWaalsContact CB-OD1 3.29Å; T260-D262 WeakPolarHBondContact CB-OD1 3.34Å; T260-D262 PolarHBondContact O-N 2.86Å; T260-D262 VanDerWaalsContact O-N 3.15Å; T260-D262 PolarHBondContact OG1-OD1 3.25Å; T260-G263 WeakPolarHBondContact O-CA 3.47Å; T260-G263 PolarHBondContact O-N 3.03Å; T260-R265 HydrophobicContact CG2-CB 3.92Å; T260-R265 PolarHBondContact N-O 3.29Å; T260-R265 PolarHBondContact OG1-N 2.88Å; T260-R265 VanDerWaalsContact OG1-N 3.1Å; T260-R265 PolarHBondContact OG1-O 2.84Å; T260-T267 HydrophobicContact CG2-CG2 4.35Å
261	E	90.8	Very high	96.6	Very high	149 Å²	149	50.5 Å²	50.5	70%	0.696	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.8	-179.2	-71.9	175.4	-166.8	0	0	113.3	R125 G263	R125-E261 VanDerWaalsContact CD-CG 3.46Å; E261-G263 VanDerWaalsContact C-N 3.33Å
262	D	91.6	Very high	96.6	Very high	102 Å²	102	50.3 Å²	50.3	55%	0.545	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-0.4	177.4	66.2	-9.5	0	0	0	113.8	T260 S264	T260-D262 VanDerWaalsContact CB-OD1 3.29Å; T260-D262 WeakPolarHBondContact CB-OD1 3.34Å; T260-D262 PolarHBondContact O-N 2.86Å; T260-D262 VanDerWaalsContact O-N 3.15Å; T260-D262 PolarHBondContact OG1-OD1 3.25Å; D262-S264 PolarHBondContact O-N 3.36Å; D262-S264 VanDerWaalsContact O-N 3.11Å; D262-S264 PolarHBondContact OD1-N 2.83Å; D262-S264 VanDerWaalsContact OD1-N 3.09Å; D262-S264 PolarHBondContact OD1-OG 3.36Å; D262-S264 WeakPolarHBondContact OD2-CB 3.42Å; D262-S264 PolarHBondContact OD2-OG 2.82Å
263	G	92.6	Very high	96.6	Very high	36 Å²	36	48.9 Å²	48.9	37%	0.371	26%	0.255	S	S	.	.	S	Bend	trans	66.7	3.9	-176.9	0	0	0	0	0	115.3	T260 E261	T260-G263 WeakPolarHBondContact O-CA 3.47Å; T260-G263 PolarHBondContact O-N 3.03Å; E261-G263 VanDerWaalsContact C-N 3.33Å
264	S	94.3	Very high	96.6	Very high	77 Å²	77	49.4 Å²	49.4	54%	0.538	26%	0.255	S	S	.	.	S	Bend	trans	-82.3	-24.8	-170.3	72.3	0	0	0	0	113.8	D262	D262-S264 PolarHBondContact O-N 3.36Å; D262-S264 VanDerWaalsContact O-N 3.11Å; D262-S264 PolarHBondContact OD1-N 2.83Å; D262-S264 VanDerWaalsContact OD1-N 3.09Å; D262-S264 PolarHBondContact OD1-OG 3.36Å; D262-S264 WeakPolarHBondContact OD2-CB 3.42Å; D262-S264 PolarHBondContact OD2-OG 2.82Å
265	R	95.1	Very high	96.6	Very high	167 Å²	167	47.8 Å²	47.8	63%	0.63	25%	0.25	S	S	*	.	S	Bend	trans	-140.1	171.9	-173.5	-69.4	172.4	-68.8	168.4	3.2	110.1	P259 T260	P259-R265 CarbonylContact C-O 3.59Å; P259-R265 VanDerWaalsContact CA-O 3.29Å; P259-R265 WeakPolarHBondContact CA-O 3.41Å; T260-R265 HydrophobicContact CG2-CB 3.92Å; T260-R265 PolarHBondContact N-O 3.29Å; T260-R265 PolarHBondContact OG1-N 2.88Å; T260-R265 VanDerWaalsContact OG1-N 3.1Å; T260-R265 PolarHBondContact OG1-O 2.84Å
266	V	96.4	Very high	96.6	Very high	103 Å²	103	45.5 Å²	45.5	62%	0.624	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107	145.1	170	-69.4	0	0	0	0	110.4	I258	I258-V266 CarbonylContact O-C 3.31Å; I258-V266 WeakPolarHBondContact O-CA 3.44Å
267	T	97.4	Very high	96.6	Very high	12 Å²	12	43.6 Å²	43.6	7%	0.074	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	160.5	175.9	-169.3	0	0	0	0	110.2	E132 Q257 I258 T260	E132-T267 VanDerWaalsContact CD-OG1 3.27Å; E132-T267 WeakPolarHBondContact OE1-CB 3.3Å; E132-T267 WeakPolarHBondContact OE1-CG2 3.37Å; E132-T267 PolarHBondContact OE1-OG1 2.84Å; E132-T267 WeakPolarHBondContact OE2-CG2 3.08Å; E132-T267 PolarHBondContact OE2-OG1 3.45Å; Q257-T267 WeakPolarHBondContact CA-O 3.22Å; I258-T267 HydrophobicContact CD1-CG2 4.19Å; I258-T267 HydrophobicContact CG1-CG2 3.62Å; I258-T267 PolarHBondContact N-O 3.15Å; I258-T267 PolarHBondContact O-N 2.88Å; T260-T267 HydrophobicContact CG2-CG2 4.35Å
268	L	98.3	Very high	96.6	Very high	34 Å²	34	37.9 Å²	37.9	18%	0.178	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	139.3	175.1	-69.7	169.6	0	0	0	109.9	T130 V131 N154 L157 N256 Q257	T130-L268 WeakPolarHBondContact CA-O 3.41Å; V131-L268 HydrophobicContact CG2-CB 4.21Å; V131-L268 PolarHBondContact N-O 3Å; N154-L268 HydrophobicContact CB-CD1 3.97Å; L157-L268 HydrophobicContact CD1-CB 3.57Å; L157-L268 HydrophobicContact CG-CB 4.48Å; N256-L268 CarbonylContact O-C 3.54Å; N256-L268 WeakPolarHBondContact O-CA 3.34Å; Q257-L268 HydrophobicContact CG-CD2 3.7Å
269	A	98.6	Very high	96.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	148.3	179.8	0	0	0	0	0	113.1	L128 M129 T130 Q255 N256 I258	L128-A269 HydrophobicContact CB-CB 4.43Å; L128-A269 HydrophobicContact CD2-CB 3.94Å; L128-A269 HydrophobicContact CG-CB 4.43Å; M129-A269 CarbonylContact O-C 3.55Å; M129-A269 VanDerWaalsContact O-CA 3.24Å; M129-A269 WeakPolarHBondContact O-CA 3.4Å; T130-A269 HydrophobicContact CG2-CB 3.85Å; Q255-A269 CarbonylContact C-O 3.58Å; Q255-A269 WeakPolarHBondContact CA-O 3.28Å; N256-A269 PolarHBondContact N-O 2.69Å; N256-A269 PolarHBondContact O-N 3.07Å; I258-A269 HydrophobicContact CD1-CB 3.65Å; I258-A269 HydrophobicContact CG1-CB 3.94Å; I258-A269 HydrophobicContact CG2-CB 4.48Å
270	L	98.9	Very high	96.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.4	158	-59.2	176.3	0	0	0	108.2	L128 M129 L161 Y175 R254 Q255 P272	L128-L270 WeakPolarHBondContact CA-O 3.25Å; L128-L270 WeakPolarHBondContact CB-O 3.32Å; L128-L270 WeakPolarHBondContact CG-O 3.29Å; M129-L270 HydrophobicContact CB-CB 4.24Å; M129-L270 HydrophobicContact CB-CD1 4.48Å; M129-L270 PolarHBondContact N-O 3.3Å; M129-L270 VanDerWaalsContact N-O 3.13Å; M129-L270 PolarHBondContact O-N 2.77Å; M129-L270 HydrophobicContact SD-CD1 4.42Å; L161-L270 HydrophobicContact CD1-CD1 4.36Å; L161-L270 HydrophobicContact CD2-CD1 4.33Å; Y175-L270 HydrophobicContact CE1-CB 4.14Å; Y175-L270 HydrophobicContact CE1-CD1 4.17Å; R254-L270 HydrophobicContact CB-CD2 3.99Å; Q255-L270 HydrophobicContact CB-CD2 4.44Å; L270-P272 WeakPolarHBondContact O-CD 3.48Å
271	I	98.8	Very high	96.7	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	22%	0.217	C	C	.	.			trans	-116.6	93.1	-172.9	-51.4	171.6	0	0	0	108.4	I123 L128 N256 I258 W274 D275 C295	I123-I271 HydrophobicContact CB-CG2 4Å; I123-I271 HydrophobicContact CG1-CG2 4.01Å; I123-I271 HydrophobicContact CG2-CG2 4.09Å; L128-I271 HydrophobicContact CD1-CG2 4.06Å; L128-I271 HydrophobicContact CD2-CG1 4.02Å; L128-I271 HydrophobicContact CG-CB 4.37Å; L128-I271 HydrophobicContact CG-CG1 4.03Å; L128-I271 HydrophobicContact CG-CG2 4.37Å; N256-I271 HydrophobicContact CB-CD1 3.71Å; N256-I271 HydrophobicContact CB-CG1 4.41Å; I258-I271 HydrophobicContact CG2-CD1 4.35Å; I271-W274 HydrophobicContact CB-CE3 3.9Å; I271-W274 HydrophobicContact CD1-CE3 4.01Å; I271-W274 HydrophobicContact CD1-CZ3 4.07Å; I271-W274 HydrophobicContact CG1-CE3 4.5Å; I271-W274 HydrophobicContact CG2-CB 3.9Å; I271-W274 HydrophobicContact CG2-CD2 4.46Å; I271-W274 HydrophobicContact CG2-CE3 4.19Å; I271-W274 HydrophobicContact CG2-CG 4.4Å; I271-D275 WeakPolarHBondContact O-CB 3.3Å; I271-D275 VanDerWaalsContact O-CG 3.26Å; I271-D275 PolarHBondContact O-N 2.87Å; I271-D275 VanDerWaalsContact O-N 3.13Å; I271-C295 HydrophobicContact CG2-CB 4.25Å
272	P	98.5	Very high	97	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	152	-178.1	-27	36.7	0	0	0	112.6	W85 I123 M127 Y175 L270 W274	W85-P272 HydrophobicContact CH2-CB 4.33Å; W85-P272 HydrophobicContact CH2-CG 4.09Å; W85-P272 HydrophobicContact CZ3-CB 3.87Å; W85-P272 HydrophobicContact CZ3-CG 4.14Å; I123-P272 WeakPolarHBondContact CD1-O 3.3Å; M127-P272 WeakPolarHBondContact O-CG 3.5Å; Y175-P272 HydrophobicContact CD1-CB 4.49Å; Y175-P272 HydrophobicContact CD1-CG 3.83Å; Y175-P272 HydrophobicContact CD2-CB 3.5Å; Y175-P272 VanDerWaalsContact CD2-CB 3.5Å; Y175-P272 HydrophobicContact CD2-CG 3.73Å; Y175-P272 HydrophobicContact CE1-CG 4.22Å; Y175-P272 HydrophobicContact CE2-CB 4.05Å; Y175-P272 HydrophobicContact CE2-CG 4.12Å; Y175-P272 HydrophobicContact CG-CB 3.75Å; Y175-P272 HydrophobicContact CG-CG 3.57Å; L270-P272 WeakPolarHBondContact O-CD 3.48Å; P272-W274 PolarHBondContact O-N 3.48Å
273	L	97.1	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	-49.8	179.9	-173.3	64.3	0	0	0	113.8	L82 M83 A86 F96 L108 L121 I123 D275 M276	L82-L273 HydrophobicContact CD2-CD1 4.38Å; M83-L273 HydrophobicContact SD-CD1 3.57Å; M83-L273 VanDerWaalsContact SD-CD1 3.57Å; M83-L273 HydrophobicContact SD-CD2 4.46Å; A86-L273 HydrophobicContact CB-CD2 4.05Å; F96-L273 HydrophobicContact CE2-CD1 4.05Å; F96-L273 HydrophobicContact CE2-CD2 4Å; F96-L273 HydrophobicContact CE2-CG 4.17Å; F96-L273 HydrophobicContact CZ-CD2 4.06Å; L108-L273 HydrophobicContact CD2-CD1 4.47Å; L121-L273 HydrophobicContact CD1-CD2 4.2Å; L121-L273 HydrophobicContact CD1-CG 4.41Å; I123-L273 HydrophobicContact CD1-CB 3.9Å; I123-L273 HydrophobicContact CD1-CD2 4.05Å; I123-L273 HydrophobicContact CD1-CG 4.33Å; L273-D275 VanDerWaalsContact C-N 3.34Å; L273-M276 VanDerWaalsContact O-CB 3.29Å; L273-M276 WeakPolarHBondContact O-CB 3.28Å; L273-M276 PolarHBondContact O-N 2.73Å
274	W	98.5	Very high	97.4	Very high	24 Å²	24	39.5 Å²	39.5	9%	0.091	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-64.8	-36.4	174.7	172.3	90.9	0	0	0	112.8	L121 I123 N256 I271 P272 M276 C277 T286 I311	L121-W274 HydrophobicContact CD2-CB 4Å; L121-W274 HydrophobicContact CD2-CG 4.33Å; I123-W274 HydrophobicContact CG1-CB 3.92Å; N256-W274 VanDerWaalsContact ND2-CZ3 3.28Å; N256-W274 WeakPolarHBondContact ND2-CZ3 3.32Å; N256-W274 VanDerWaalsContact OD1-CH2 3.25Å; N256-W274 WeakPolarHBondContact OD1-CH2 3.46Å; N256-W274 WeakPolarHBondContact OD1-CZ3 3.41Å; I271-W274 HydrophobicContact CB-CE3 3.9Å; I271-W274 HydrophobicContact CD1-CE3 4.01Å; I271-W274 HydrophobicContact CD1-CZ3 4.07Å; I271-W274 HydrophobicContact CG1-CE3 4.5Å; I271-W274 HydrophobicContact CG2-CB 3.9Å; I271-W274 HydrophobicContact CG2-CD2 4.46Å; I271-W274 HydrophobicContact CG2-CE3 4.19Å; I271-W274 HydrophobicContact CG2-CG 4.4Å; P272-W274 PolarHBondContact O-N 3.48Å; W274-M276 PolarHBondContact O-N 3.16Å; W274-C277 PolarHBondContact O-N 3.2Å; W274-T286 HydrophobicContact CZ2-CG2 3.71Å; W274-T286 PolarHBondContact NE1-OG1 3.22Å; W274-I311 HydrophobicContact CH2-CD1 3.99Å; W274-I311 HydrophobicContact CZ2-CD1 3.48Å; W274-I311 VanDerWaalsContact CZ2-CD1 3.48Å
275	D	97.5	Very high	97.6	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.064	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-72.1	7.4	176.7	76	-21.2	0	0	0	114.7	Y175 R254 I271 L273	Y175-D275 WeakPolarHBondContact CE2-OD2 3.43Å; Y175-D275 PolarHBondContact OH-OD2 3.35Å; Y175-D275 VanDerWaalsContact OH-OD2 3.04Å; R254-D275 HydrophobicContact CB-CB 4.44Å; R254-D275 WeakPolarHBondContact CD-OD2 3.42Å; R254-D275 HydrophobicContact CG-CB 4.33Å; R254-D275 IonicContact NE-OD2 3.51Å; I271-D275 WeakPolarHBondContact O-CB 3.3Å; I271-D275 VanDerWaalsContact O-CG 3.26Å; I271-D275 PolarHBondContact O-N 2.87Å; I271-D275 VanDerWaalsContact O-N 3.13Å; L273-D275 VanDerWaalsContact C-N 3.34Å
276	M	97.7	Very high	97.7	Very high	6 Å²	6	31 Å²	31	3%	0.03	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-89	-12.8	167.4	-61.9	-68.4	-66.5	0	0	112.6	F79 V98 G107 L108 L273 W274 N278	F79-M276 HydrophobicContact CD1-CE 4.49Å; F79-M276 HydrophobicContact CE1-CE 3.67Å; F79-M276 HydrophobicContact CZ-CE 3.98Å; V98-M276 HydrophobicContact CG1-CE 3.46Å; V98-M276 VanDerWaalsContact CG1-CE 3.46Å; V98-M276 HydrophobicContact CG2-CE 4.24Å; G107-M276 VanDerWaalsContact CA-O 3.26Å; G107-M276 WeakPolarHBondContact CA-O 3.2Å; L108-M276 HydrophobicContact CD2-CB 3.8Å; L108-M276 HydrophobicContact CG-CB 4.11Å; L273-M276 VanDerWaalsContact O-CB 3.29Å; L273-M276 WeakPolarHBondContact O-CB 3.28Å; L273-M276 PolarHBondContact O-N 2.73Å; W274-M276 PolarHBondContact O-N 3.16Å; M276-N278 PolarHBondContact O-N 3.12Å
277	C	98.3	Very high	97.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-69.3	130.3	174.3	-67.6	0	0	0	0	110.5	L108 W274 I311 Y313	L108-C277 VanDerWaalsContact CD1-SG 3.51Å; W274-C277 PolarHBondContact O-N 3.2Å; C277-I311 HydrophobicContact CB-CB 4.3Å; C277-I311 HydrophobicContact CB-CD1 3.85Å; C277-I311 HydrophobicContact CB-CG1 3.66Å; C277-I311 HydrophobicContact CB-CG2 3.81Å; C277-Y313 WeakPolarHBondContact O-CE1 3.5Å; C277-Y313 PolarHBondContact O-OH 3.4Å
278	N	98.3	Very high	97.8	Very high	26 Å²	26	29.6 Å²	29.6	14%	0.139	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	168.7	176.1	-78.7	-38.5	0	0	0	112.5	E104 M276 Q308 Y310 I311	E104-N278 PolarHBondContact O-ND2 2.62Å; M276-N278 PolarHBondContact O-N 3.12Å; N278-Q308 PolarHBondContact ND2-OE1 2.96Å; N278-Y310 HydrophobicContact CB-CD1 3.94Å; N278-Y310 HydrophobicContact CB-CE1 3.99Å; N278-Y310 WeakPolarHBondContact O-CA 3.4Å; N278-I311 PolarHBondContact O-N 3.43Å
279	H	98	Very high	97.8	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.056	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	138	-177.1	-178.8	68.1	0	0	0	113.5	Y310 I311 F312 Y313 F321 F327 F329	H279-Y310 WeakPolarHBondContact O-CD1 3.32Å; H279-I311 WeakPolarHBondContact CA-O 3.46Å; H279-F312 AromaticContact CE1-CD2 3.61Å; H279-F312 AromaticContact CE1-CE2 3.94Å; H279-Y313 HydrophobicContact CB-CD1 4.16Å; H279-Y313 HydrophobicContact CB-CD2 3.92Å; H279-Y313 HydrophobicContact CB-CE1 4.2Å; H279-Y313 HydrophobicContact CB-CE2 3.97Å; H279-Y313 HydrophobicContact CB-CG 4.02Å; H279-Y313 WeakPolarHBondContact ND1-CB 3.33Å; H279-Y313 AromaticContact ND1-CG 3.59Å; H279-Y313 PolarHBondContact ND1-N 3.37Å; H279-F321 AromaticContact CD2-CZ 3.95Å; H279-F321 AromaticContact CE1-CZ 3.53Å; H279-F321 AromaticContact ND1-CZ 3.99Å; H279-F321 AromaticContact NE2-CE2 3.83Å; H279-F321 AromaticContact NE2-CZ 3.48Å; H279-F321 WeakPolarHBondContact NE2-CZ 3.3Å; H279-F327 HydrophobicContact CB-CE2 4.2Å; H279-F327 HydrophobicContact CB-CZ 3.72Å; H279-F329 AromaticContact CD2-CD2 3.91Å; H279-F329 AromaticContact CD2-CG 3.89Å; H279-F329 AromaticContact NE2-CD1 3.95Å
280	T	97.8	Very high	97.7	Very high	33 Å²	33	33.9 Å²	33.9	20%	0.202	19%	0.194	C	C	.	.			trans	-143.1	165.1	158.5	-164.7	0	0	0	0	110.7	L300 Y310 I311 F312	T280-L300 HydrophobicContact CG2-CD2 3.65Å; T280-Y310 HydrophobicContact CG2-CG 4Å; T280-I311 PolarHBondContact N-O 3.49Å; T280-F312 WeakPolarHBondContact O-CA 3.33Å; T280-F312 VanDerWaalsContact O-CD2 3.31Å; T280-F312 WeakPolarHBondContact O-CD2 3.41Å
281	N	97.4	Very high	97.6	Very high	54 Å²	54	42.6 Å²	42.6	29%	0.289	24%	0.235	S	C	.	.	S	Bend	trans	-61.9	142.5	173.8	-78.6	-37.4	0	0	0	111.3	D331 A333	N281-D331 PolarHBondContact ND2-O 3.12Å; N281-A333 PolarHBondContact OD1-N 3.2Å
282	G	96.1	Very high	97.5	Very high	26 Å²	26	46.7 Å²	46.7	27%	0.268	26%	0.256	S	S	.	.	S	Bend	trans	165.1	-149.6	177.8	0	0	0	0	0	112.4	F312	G282-F312 VanDerWaalsContact O-CD1 3.29Å; G282-F312 WeakPolarHBondContact O-CD1 3.11Å; G282-F312 WeakPolarHBondContact O-CE1 3.15Å; G282-F312 WeakPolarHBondContact O-CG 3.14Å
283	L	95.9	Very high	97.4	Very high	120 Å²	120	49.4 Å²	49.4	63%	0.628	27%	0.271	S	S	*	.			trans	-118	159.3	174.6	-62.9	175.5	0	0	0	109.8	T285 F312	L283-T285 PolarHBondContact O-N 3.05Å; L283-F312 WeakPolarHBondContact O-CB 3.33Å
284	I	97	Very high	97.5	Very high	119 Å²	119	52 Å²	52	61%	0.61	28%	0.281	S	S	*	.			trans	-70.1	115.6	177.4	-61.3	177.1	0	0	0	108.4	F312	I284-F312 HydrophobicContact CG1-CD1 3.91Å; I284-F312 HydrophobicContact CG1-CE1 4.4Å
285	T	97.7	Very high	97.5	Very high	31 Å²	31	51 Å²	51	19%	0.19	28%	0.278	C	S	.	.			trans	-113.4	15.5	178.1	61.5	0	0	0	0	113.2	L283 V298 L300	L283-T285 PolarHBondContact O-N 3.05Å; T285-V298 VanDerWaalsContact CB-O 3.31Å; T285-V298 WeakPolarHBondContact CB-O 3.48Å; T285-V298 HydrophobicContact CG2-CG2 4.29Å; T285-V298 PolarHBondContact O-N 2.94Å; T285-V298 PolarHBondContact OG1-O 2.72Å; T285-L300 HydrophobicContact CG2-CB 4.39Å; T285-L300 HydrophobicContact CG2-CD1 3.91Å
286	T	98.2	Very high	97.5	Very high	35 Å²	35	52.5 Å²	52.5	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.3	174.3	-54.8	0	0	0	0	109.8	W274 E296 C297	W274-T286 HydrophobicContact CZ2-CG2 3.71Å; W274-T286 PolarHBondContact NE1-OG1 3.22Å; T286-E296 CarbonylContact C-O 3.59Å; T286-E296 VanDerWaalsContact CA-O 3.31Å; T286-E296 WeakPolarHBondContact CA-O 3.36Å; T286-E296 WeakPolarHBondContact CG2-O 3.34Å; T286-C297 HydrophobicContact CG2-CB 4.38Å; T286-C297 PolarHBondContact OG1-SG 2.97Å
287	G	97.6	Very high	97.6	Very high	44 Å²	44	52.2 Å²	52.2	45%	0.454	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	170.9	176.5	0	0	0	0	0	111.8	E296	G287-E296 PolarHBondContact N-O 2.98Å; G287-E296 PolarHBondContact O-N 2.74Å
288	Y	98.2	Very high	97.6	Very high	42 Å²	42	54.5 Å²	54.5	17%	0.165	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.9	171.1	-159.8	-82.6	0	0	0	109.5	R125 I258 P259 L290 D293 C295	R125-Y288 WeakPolarHBondContact CB-OH 3.41Å; R125-Y288 PolarHBondContact NE-OH 3.17Å; R125-Y288 VanDerWaalsContact NH2-CE1 3.28Å; R125-Y288 PolarHBondContact NH2-OH 2.61Å; I258-Y288 HydrophobicContact CB-CD2 3.8Å; I258-Y288 HydrophobicContact CB-CE2 4.12Å; I258-Y288 HydrophobicContact CB-CG 4.48Å; I258-Y288 HydrophobicContact CD1-CE2 3.98Å; I258-Y288 HydrophobicContact CG2-CD2 3.79Å; I258-Y288 HydrophobicContact CG2-CE2 4.23Å; P259-Y288 HydrophobicContact CG-CD1 3.43Å; P259-Y288 VanDerWaalsContact CG-CD1 3.43Å; P259-Y288 HydrophobicContact CG-CE1 4.16Å; P259-Y288 HydrophobicContact CG-CG 3.67Å; Y288-L290 HydrophobicContact CD1-CD2 4.06Å; Y288-L290 HydrophobicContact CD1-CG 4.34Å; Y288-L290 HydrophobicContact CE1-CD2 4.14Å; Y288-D293 PolarHBondContact OH-O 3.39Å; Y288-D293 PolarHBondContact OH-OD1 2.93Å; Y288-C295 VanDerWaalsContact CD2-SG 3.54Å; Y288-C295 VanDerWaalsContact CE2-SG 3.59Å
289	N	97.8	Very high	97.6	Very high	34 Å²	34	53.4 Å²	53.4	18%	0.182	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	108.5	174.7	-177.9	-16.1	0	0	0	108.8	E291 D292 D293 R294 E296	N289-E291 WeakPolarHBondContact OD1-CB 3.38Å; N289-E291 PolarHBondContact OD1-N 3.48Å; N289-D292 PolarHBondContact ND2-OD2 3.3Å; N289-D292 PolarHBondContact OD1-N 3.01Å; N289-D292 VanDerWaalsContact OD1-N 3.12Å; N289-D293 WeakPolarHBondContact O-CA 3.43Å; N289-D293 PolarHBondContact O-N 3.2Å; N289-R294 HydrophobicContact CB-CG 4.4Å; N289-R294 PolarHBondContact N-O 3.04Å; N289-R294 PolarHBondContact O-N 3.23Å; N289-E296 HydrophobicContact CB-CG 4.06Å; N289-E296 PolarHBondContact ND2-OE1 3.17Å
290	L	96.3	Very high	97.6	Very high	89 Å²	89	54.4 Å²	54.4	47%	0.466	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-26.9	178.5	-76.8	173.4	0	0	0	113.1	P259 Y288	P259-L290 HydrophobicContact CB-CD2 3.99Å; P259-L290 HydrophobicContact CG-CD2 3.69Å; P259-L290 HydrophobicContact CG-CG 4.19Å; Y288-L290 HydrophobicContact CD1-CD2 4.06Å; Y288-L290 HydrophobicContact CD1-CG 4.34Å; Y288-L290 HydrophobicContact CE1-CD2 4.14Å
291	E	96.6	Very high	97.6	Very high	184 Å²	184	57.2 Å²	57.2	86%	0.86	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-42.4	-179.2	-60.4	-174.5	172	0	0	110.9	N289	N289-E291 WeakPolarHBondContact OD1-CB 3.38Å; N289-E291 PolarHBondContact OD1-N 3.48Å
292	D	96.6	Very high	97.6	Very high	89 Å²	89	58.4 Å²	58.4	48%	0.476	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	1.8	178.2	-70.1	-27.3	0	0	0	113.5	N289 R294	N289-D292 PolarHBondContact ND2-OD2 3.3Å; N289-D292 PolarHBondContact OD1-N 3.01Å; N289-D292 VanDerWaalsContact OD1-N 3.12Å; D292-R294 HydrophobicContact CB-CG 3.89Å; D292-R294 PolarHBondContact O-N 3.13Å; D292-R294 IonicContact OD2-CZ 3.73Å; D292-R294 VanDerWaalsContact OD2-CZ 3.24Å; D292-R294 IonicContact OD2-NE 3.38Å; D292-R294 IonicContact OD2-NH1 3.67Å; D292-R294 IonicContact OD2-NH2 3.87Å; D292-R294 PolarHBondContact OD2-NH2 3.25Å
293	D	97.5	Very high	97.8	Very high	57 Å²	57	57.4 Å²	57.4	31%	0.305	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.7	53.1	-177.2	-165.1	38.2	0	0	0	114.1	R125 Y288 N289	R125-D293 WeakPolarHBondContact CB-O 3.44Å; R125-D293 WeakPolarHBondContact CB-OD2 3.35Å; R125-D293 WeakPolarHBondContact CD-OD1 3.39Å; R125-D293 WeakPolarHBondContact CD-OD2 3.39Å; R125-D293 IonicContact CZ-OD1 2.78Å; R125-D293 PolarHBondContact N-O 3.4Å; R125-D293 IonicContact NE-OD1 3.97Å; R125-D293 PolarHBondContact NE-OD1 3.33Å; R125-D293 IonicContact NE-OD2 3.23Å; R125-D293 IonicContact NH2-OD1 3.44Å; Y288-D293 PolarHBondContact OH-O 3.39Å; Y288-D293 PolarHBondContact OH-OD1 2.93Å; N289-D293 WeakPolarHBondContact O-CA 3.43Å; N289-D293 PolarHBondContact O-N 3.2Å
294	R	98.1	Very high	97.9	Very high	55 Å²	55	58 Å²	58	21%	0.208	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.8	-175.1	69.1	-173.8	-174.2	-161.6	-13.9	113.4	I123 N289 D292 E296	I123-R294 CarbonylContact O-C 3.48Å; I123-R294 WeakPolarHBondContact O-CA 3.48Å; I123-R294 WeakPolarHBondContact O-CB 3.37Å; N289-R294 HydrophobicContact CB-CG 4.4Å; N289-R294 PolarHBondContact N-O 3.04Å; N289-R294 PolarHBondContact O-N 3.23Å; D292-R294 HydrophobicContact CB-CG 3.89Å; D292-R294 PolarHBondContact O-N 3.13Å; D292-R294 IonicContact OD2-CZ 3.73Å; D292-R294 VanDerWaalsContact OD2-CZ 3.24Å; D292-R294 IonicContact OD2-NE 3.38Å; D292-R294 IonicContact OD2-NH1 3.67Å; D292-R294 IonicContact OD2-NH2 3.87Å; D292-R294 PolarHBondContact OD2-NH2 3.25Å; R294-E296 HydrophobicContact CG-CG 4Å; R294-E296 IonicContact CZ-OE1 2.69Å; R294-E296 IonicContact NE-OE1 3.85Å; R294-E296 PolarHBondContact NE-OE1 2.89Å; R294-E296 IonicContact NH2-OE1 3.81Å; R294-E296 PolarHBondContact NH2-OE1 3.5Å
295	C	98.4	Very high	97.9	Very high	4 Å²	4	57.5 Å²	57.5	3%	0.027	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	138.5	165.1	-65.2	0	0	0	0	109.5	W122 I123 I271 Y288	W122-C295 CarbonylContact C-O 3.57Å; W122-C295 WeakPolarHBondContact CA-O 3.49Å; W122-C295 WeakPolarHBondContact CB-O 3.36Å; I123-C295 HydrophobicContact CB-CB 4.34Å; I123-C295 PolarHBondContact N-O 3.26Å; I123-C295 PolarHBondContact O-N 3.36Å; I271-C295 HydrophobicContact CG2-CB 4.25Å; Y288-C295 VanDerWaalsContact CD2-SG 3.54Å; Y288-C295 VanDerWaalsContact CE2-SG 3.59Å
296	E	98.6	Very high	98	Very high	42 Å²	42	60.5 Å²	60.5	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.2	178	-68.1	-175.5	169.8	0	0	109.9	L119 W122 T286 G287 N289 R294	L119-E296 HydrophobicContact CD1-CB 3.8Å; L119-E296 HydrophobicContact CD1-CG 4.21Å; W122-E296 HydrophobicContact CB-CG 4.2Å; T286-E296 CarbonylContact C-O 3.59Å; T286-E296 VanDerWaalsContact CA-O 3.31Å; T286-E296 WeakPolarHBondContact CA-O 3.36Å; T286-E296 WeakPolarHBondContact CG2-O 3.34Å; G287-E296 PolarHBondContact N-O 2.98Å; G287-E296 PolarHBondContact O-N 2.74Å; N289-E296 HydrophobicContact CB-CG 4.06Å; N289-E296 PolarHBondContact ND2-OE1 3.17Å; R294-E296 HydrophobicContact CG-CG 4Å; R294-E296 IonicContact CZ-OE1 2.69Å; R294-E296 IonicContact NE-OE1 3.85Å; R294-E296 PolarHBondContact NE-OE1 2.89Å; R294-E296 IonicContact NH2-OE1 3.81Å; R294-E296 PolarHBondContact NH2-OE1 3.5Å
297	C	98.5	Very high	98	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.007	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	120.5	177.2	-174.1	0	0	0	0	109.6	F120 L121 T286	F120-C297 WeakPolarHBondContact CD1-O 3.48Å; F120-C297 HydrophobicContact CE1-CB 4.33Å; F120-C297 PolarHBondContact N-O 2.85Å; L121-C297 HydrophobicContact CB-CB 4.19Å; L121-C297 PolarHBondContact N-O 2.74Å; L121-C297 PolarHBondContact O-N 3.13Å; T286-C297 HydrophobicContact CG2-CB 4.38Å; T286-C297 PolarHBondContact OG1-SG 2.97Å
298	V	98.5	Very high	98	Very high	47 Å²	47	61.4 Å²	61.4	29%	0.285	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	150.1	167.7	-56.1	0	0	0	0	109.9	E118 L119 T285 L300	E118-V298 CarbonylContact O-C 3.58Å; E118-V298 VanDerWaalsContact O-CA 3.27Å; E118-V298 WeakPolarHBondContact O-CA 3.48Å; L119-V298 HydrophobicContact CB-CG1 4.2Å; L119-V298 HydrophobicContact CD1-CG1 4.44Å; T285-V298 VanDerWaalsContact CB-O 3.31Å; T285-V298 WeakPolarHBondContact CB-O 3.48Å; T285-V298 HydrophobicContact CG2-CG2 4.29Å; T285-V298 PolarHBondContact O-N 2.94Å; T285-V298 PolarHBondContact OG1-O 2.72Å; V298-L300 PolarHBondContact O-N 3.38Å
299	A	98.4	Very high	98	Very high	3 Å²	3	59.4 Å²	59.4	3%	0.025	29%	0.292	C	S	.	.			trans	-64.6	128.4	-179.2	0	0	0	0	0	110.8	I114 K115 E117 E118 F120 Q301 Y303	I114-A299 HydrophobicContact CG2-CB 3.7Å; K115-A299 VanDerWaalsContact O-CB 3.28Å; K115-A299 WeakPolarHBondContact O-CB 3.33Å; E117-A299 PolarHBondContact N-O 2.94Å; E118-A299 PolarHBondContact O-N 3.39Å; F120-A299 HydrophobicContact CD1-CB 4.06Å; F120-A299 HydrophobicContact CE1-CB 4.34Å; A299-Q301 VanDerWaalsContact C-N 3.25Å; A299-Q301 PolarHBondContact O-N 3.49Å; A299-Y303 HydrophobicContact CB-CD2 4.16Å; A299-Y303 HydrophobicContact CB-CE2 4.14Å
300	L	97.8	Very high	98.1	Very high	34 Å²	34	60 Å²	60	18%	0.178	29%	0.292	C	S	.	.	S	Bend	trans	-62.5	-33.5	178.8	174.4	62.5	0	0	0	112.7	T280 T285 V298	T280-L300 HydrophobicContact CG2-CD2 3.65Å; T285-L300 HydrophobicContact CG2-CB 4.39Å; T285-L300 HydrophobicContact CG2-CD1 3.91Å; V298-L300 PolarHBondContact O-N 3.38Å
301	Q	98.1	Very high	98.2	Very high	92 Å²	92	56 Å²	56	43%	0.43	27%	0.27	S	S	.	.	S	Bend	trans	-154.5	174.6	-179.2	60.3	-176.4	11.5	0	0	109.3	A299 Y303	A299-Q301 VanDerWaalsContact C-N 3.25Å; A299-Q301 PolarHBondContact O-N 3.49Å; Q301-Y303 HydrophobicContact CG-CD1 4.45Å; Q301-Y303 HydrophobicContact CG-CE1 3.82Å; Q301-Y303 HydrophobicContact CG-CE2 4.21Å; Q301-Y303 VanDerWaalsContact O-CD2 3.23Å; Q301-Y303 WeakPolarHBondContact O-CD2 3.42Å; Q301-Y303 WeakPolarHBondContact O-CE2 3.36Å; Q301-Y303 PolarHBondContact O-N 3.13Å
302	D	98.6	Very high	98.2	Very high	79 Å²	79	47.9 Å²	47.9	42%	0.422	23%	0.233	S	C	.	.			trans	-62.7	128.6	170.4	-81.2	15.4	0	0	0	109.8	I114 K115 A116	I114-D302 WeakPolarHBondContact O-CA 3.36Å; K115-D302 WeakPolarHBondContact CD-OD2 3.22Å; K115-D302 IonicContact NZ-OD2 3.85Å; K115-D302 PolarHBondContact NZ-OD2 3.45Å; A116-D302 PolarHBondContact N-OD1 3.41Å
303	Y	98.4	Very high	98.3	Very high	5 Å²	5	46.6 Å²	46.6	2%	0.02	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-118.4	124	171.6	-62.1	-72.2	0	0	0	109.2	D113 I114 A299 Q301 Q308 I309 Y310	D113-Y303 CarbonylContact C-O 3.22Å; D113-Y303 WeakPolarHBondContact CA-O 3.41Å; I114-Y303 PolarHBondContact N-O 3.24Å; I114-Y303 PolarHBondContact O-N 3.5Å; A299-Y303 HydrophobicContact CB-CD2 4.16Å; A299-Y303 HydrophobicContact CB-CE2 4.14Å; Q301-Y303 HydrophobicContact CG-CD1 4.45Å; Q301-Y303 HydrophobicContact CG-CE1 3.82Å; Q301-Y303 HydrophobicContact CG-CE2 4.21Å; Q301-Y303 VanDerWaalsContact O-CD2 3.23Å; Q301-Y303 WeakPolarHBondContact O-CD2 3.42Å; Q301-Y303 WeakPolarHBondContact O-CE2 3.36Å; Q301-Y303 PolarHBondContact O-N 3.13Å; Y303-Q308 VanDerWaalsContact CD1-O 3.3Å; Y303-Q308 WeakPolarHBondContact CD1-O 3.42Å; Y303-Q308 VanDerWaalsContact CE1-O 3.31Å; Y303-Q308 WeakPolarHBondContact CE1-O 3.27Å; Y303-I309 HydrophobicContact CD2-CG1 4.45Å; Y303-I309 HydrophobicContact CD2-CG2 4.25Å; Y303-I309 HydrophobicContact CE2-CG2 3.95Å; Y303-I309 HydrophobicContact CG-CG1 4.36Å; Y303-Y310 HydrophobicContact CE1-CD2 4.36Å; Y303-Y310 PolarHBondContact OH-N 3Å; Y303-Y310 VanDerWaalsContact OH-N 3.13Å; Y303-Y310 PolarHBondContact OH-O 3.19Å
304	K	98.6	Very high	98.2	Very high	132 Å²	132	44.3 Å²	44.3	57%	0.574	21%	0.211	S	C	*	.			trans	-80.6	161	173.5	-63.8	176.7	-178.2	167.9	0	111.1	A110 D113 N306 E307	A110-K304 WeakPolarHBondContact CB-O 3.29Å; D113-K304 WeakPolarHBondContact OD1-CA 3.27Å; K304-N306 PolarHBondContact O-N 3.18Å; K304-E307 HydrophobicContact CB-CG 4.08Å; K304-E307 PolarHBondContact N-OE2 3.02Å; K304-E307 WeakPolarHBondContact O-CB 3.44Å; K304-E307 PolarHBondContact O-N 3.42Å
305	E	98.4	Very high	98.1	Very high	109 Å²	109	45.8 Å²	45.8	51%	0.509	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	132.3	168.6	-165.9	-169.6	154	0	0	111.4	D113 E307	D113-E305 PolarHBondContact OD1-N 3.23Å; E305-E307 VanDerWaalsContact C-N 3.3Å; E305-E307 PolarHBondContact O-N 3.28Å
306	N	98.1	Very high	98.1	Very high	93 Å²	93	50.1 Å²	50.1	50%	0.497	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	1.8	-176.8	-53.4	-68.6	0	0	0	116.7	R109 A110 K304	R109-N306 WeakPolarHBondContact CD-O 3.47Å; R109-N306 WeakPolarHBondContact CG-O 3.49Å; A110-N306 WeakPolarHBondContact O-CA 3.38Å; A110-N306 PolarHBondContact O-N 3.2Å; K304-N306 PolarHBondContact O-N 3.18Å
307	E	98.3	Very high	98.1	Very high	81 Å²	81	48.5 Å²	48.5	38%	0.379	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-79.7	151.2	171	-67.5	-178.6	167.1	0	0	111.9	R109 A110 K304 E305	R109-E307 CarbonylContact C-O 3.6Å; R109-E307 WeakPolarHBondContact CA-O 3.34Å; A110-E307 PolarHBondContact N-O 2.96Å; K304-E307 HydrophobicContact CB-CG 4.08Å; K304-E307 PolarHBondContact N-OE2 3.02Å; K304-E307 WeakPolarHBondContact O-CB 3.44Å; K304-E307 PolarHBondContact O-N 3.42Å; E305-E307 VanDerWaalsContact C-N 3.3Å; E305-E307 PolarHBondContact O-N 3.28Å
308	Q	98.4	Very high	98.1	Very high	17 Å²	17	48.6 Å²	48.6	8%	0.079	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.9	172.2	-177.4	162.7	-160.1	0	0	109.7	F101 E104 L108 N278 Y303 Y310	F101-Q308 HydrophobicContact CD1-CB 4.16Å; F101-Q308 HydrophobicContact CD1-CG 4.44Å; F101-Q308 HydrophobicContact CD2-CG 4.04Å; F101-Q308 HydrophobicContact CE1-CB 3.57Å; F101-Q308 HydrophobicContact CE1-CG 4.08Å; F101-Q308 HydrophobicContact CE2-CB 4.03Å; F101-Q308 VanDerWaalsContact CE2-CD 3.48Å; F101-Q308 HydrophobicContact CE2-CG 3.62Å; F101-Q308 HydrophobicContact CG-CG 4.41Å; F101-Q308 HydrophobicContact CZ-CB 3.47Å; F101-Q308 VanDerWaalsContact CZ-CB 3.47Å; F101-Q308 HydrophobicContact CZ-CG 3.62Å; E104-Q308 PolarHBondContact OE2-NE2 3.09Å; L108-Q308 WeakPolarHBondContact O-CA 3.23Å; N278-Q308 PolarHBondContact ND2-OE1 2.96Å; Y303-Q308 VanDerWaalsContact CD1-O 3.3Å; Y303-Q308 WeakPolarHBondContact CD1-O 3.42Å; Y303-Q308 VanDerWaalsContact CE1-O 3.31Å; Y303-Q308 WeakPolarHBondContact CE1-O 3.27Å; Q308-Y310 HydrophobicContact CB-CD2 4.28Å; Q308-Y310 HydrophobicContact CB-CE2 3.66Å; Q308-Y310 HydrophobicContact CG-CD1 4.42Å; Q308-Y310 HydrophobicContact CG-CD2 4.15Å; Q308-Y310 HydrophobicContact CG-CE1 4.03Å; Q308-Y310 HydrophobicContact CG-CE2 3.75Å; Q308-Y310 HydrophobicContact CG-CG 4.48Å; Q308-Y310 PolarHBondContact NE2-OH 2.82Å; Q308-Y310 WeakPolarHBondContact O-CD2 3.38Å
309	I	98.6	Very high	98.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121.6	174.3	-57.1	171.1	0	0	0	107.7	F96 L108 A110 I114 F120 Y303	F96-I309 HydrophobicContact CB-CD1 3.68Å; L108-I309 HydrophobicContact CB-CB 4.2Å; L108-I309 HydrophobicContact CB-CD1 4.37Å; L108-I309 PolarHBondContact O-N 3.38Å; A110-I309 HydrophobicContact CB-CD1 4.07Å; A110-I309 HydrophobicContact CB-CG1 4.05Å; I114-I309 HydrophobicContact CD1-CD1 3.67Å; I114-I309 HydrophobicContact CD1-CG1 4.41Å; F120-I309 HydrophobicContact CD2-CD1 4.38Å; F120-I309 HydrophobicContact CE1-CG2 4.4Å; F120-I309 HydrophobicContact CE2-CD1 4.03Å; F120-I309 HydrophobicContact CE2-CG2 3.82Å; F120-I309 HydrophobicContact CZ-CG2 3.57Å; Y303-I309 HydrophobicContact CD2-CG1 4.45Å; Y303-I309 HydrophobicContact CD2-CG2 4.25Å; Y303-I309 HydrophobicContact CE2-CG2 3.95Å; Y303-I309 HydrophobicContact CG-CG1 4.36Å
310	Y	98.5	Very high	98	Very high	48 Å²	48	49.7 Å²	49.7	19%	0.188	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	158.6	178.8	-65.8	-85.7	0	0	0	111.8	E104 N278 H279 T280 Y303 Q308	E104-Y310 PolarHBondContact OE1-OH 2.94Å; E104-Y310 WeakPolarHBondContact OE2-CE1 3.47Å; E104-Y310 PolarHBondContact OE2-OH 3.43Å; N278-Y310 HydrophobicContact CB-CD1 3.94Å; N278-Y310 HydrophobicContact CB-CE1 3.99Å; N278-Y310 WeakPolarHBondContact O-CA 3.4Å; H279-Y310 WeakPolarHBondContact O-CD1 3.32Å; T280-Y310 HydrophobicContact CG2-CG 4Å; Y303-Y310 HydrophobicContact CE1-CD2 4.36Å; Y303-Y310 PolarHBondContact OH-N 3Å; Y303-Y310 VanDerWaalsContact OH-N 3.13Å; Y303-Y310 PolarHBondContact OH-O 3.19Å; Q308-Y310 HydrophobicContact CB-CD2 4.28Å; Q308-Y310 HydrophobicContact CB-CE2 3.66Å; Q308-Y310 HydrophobicContact CG-CD1 4.42Å; Q308-Y310 HydrophobicContact CG-CD2 4.15Å; Q308-Y310 HydrophobicContact CG-CE1 4.03Å; Q308-Y310 HydrophobicContact CG-CE2 3.75Å; Q308-Y310 HydrophobicContact CG-CG 4.48Å; Q308-Y310 PolarHBondContact NE2-OH 2.82Å; Q308-Y310 WeakPolarHBondContact O-CD2 3.38Å
311	I	98.5	Very high	98.1	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	160.6	167.5	61.1	170.1	0	0	0	110	W274 C277 N278 H279 T280 Y313	W274-I311 HydrophobicContact CH2-CD1 3.99Å; W274-I311 HydrophobicContact CZ2-CD1 3.48Å; W274-I311 VanDerWaalsContact CZ2-CD1 3.48Å; C277-I311 HydrophobicContact CB-CB 4.3Å; C277-I311 HydrophobicContact CB-CD1 3.85Å; C277-I311 HydrophobicContact CB-CG1 3.66Å; C277-I311 HydrophobicContact CB-CG2 3.81Å; N278-I311 PolarHBondContact O-N 3.43Å; H279-I311 WeakPolarHBondContact CA-O 3.46Å; T280-I311 PolarHBondContact N-O 3.49Å; I311-Y313 HydrophobicContact CD1-CD1 3.9Å; I311-Y313 HydrophobicContact CD1-CE1 3.72Å; I311-Y313 HydrophobicContact CG1-CD1 3.74Å; I311-Y313 HydrophobicContact CG1-CE1 3.59Å
312	F	98.3	Very high	98.1	Very high	15 Å²	15	43.8 Å²	43.8	7%	0.066	21%	0.211	C	C	.	.			trans	-91.8	118.6	170	-180	-117.7	0	0	0	110	H279 T280 G282 L283 I284 G314 T315 H334	H279-F312 AromaticContact CE1-CD2 3.61Å; H279-F312 AromaticContact CE1-CE2 3.94Å; T280-F312 WeakPolarHBondContact O-CA 3.33Å; T280-F312 VanDerWaalsContact O-CD2 3.31Å; T280-F312 WeakPolarHBondContact O-CD2 3.41Å; G282-F312 VanDerWaalsContact O-CD1 3.29Å; G282-F312 WeakPolarHBondContact O-CD1 3.11Å; G282-F312 WeakPolarHBondContact O-CE1 3.15Å; G282-F312 WeakPolarHBondContact O-CG 3.14Å; L283-F312 WeakPolarHBondContact O-CB 3.33Å; I284-F312 HydrophobicContact CG1-CD1 3.91Å; I284-F312 HydrophobicContact CG1-CE1 4.4Å; F312-G314 VanDerWaalsContact CE1-C 3.45Å; F312-G314 VanDerWaalsContact CE1-CA 3.4Å; F312-G314 WeakPolarHBondContact CE2-O 3.42Å; F312-G314 VanDerWaalsContact CZ-O 3.27Å; F312-G314 WeakPolarHBondContact CZ-O 3.39Å; F312-G314 PolarHBondContact O-N 2.94Å; F312-T315 HydrophobicContact CE1-CG2 4Å; F312-T315 HydrophobicContact CZ-CG2 3.84Å; F312-H334 AromaticContact CE2-CD2 3.78Å; F312-H334 AromaticContact CE2-NE2 3.92Å; F312-H334 AromaticContact CZ-CD2 3.57Å; F312-H334 AromaticContact CZ-NE2 3.5Å; F312-H334 WeakPolarHBondContact CZ-NE2 3.3Å
313	Y	97.9	Very high	98.1	Very high	62 Å²	62	40.1 Å²	40.1	24%	0.243	19%	0.192	C	C	.	.			trans	-74.7	-6.5	-176.9	-74.8	6.1	0	0	0	113.4	C277 H279 I311 F321 F327	C277-Y313 WeakPolarHBondContact O-CE1 3.5Å; C277-Y313 PolarHBondContact O-OH 3.4Å; H279-Y313 HydrophobicContact CB-CD1 4.16Å; H279-Y313 HydrophobicContact CB-CD2 3.92Å; H279-Y313 HydrophobicContact CB-CE1 4.2Å; H279-Y313 HydrophobicContact CB-CE2 3.97Å; H279-Y313 HydrophobicContact CB-CG 4.02Å; H279-Y313 WeakPolarHBondContact ND1-CB 3.33Å; H279-Y313 AromaticContact ND1-CG 3.59Å; H279-Y313 PolarHBondContact ND1-N 3.37Å; I311-Y313 HydrophobicContact CD1-CD1 3.9Å; I311-Y313 HydrophobicContact CD1-CE1 3.72Å; I311-Y313 HydrophobicContact CG1-CD1 3.74Å; I311-Y313 HydrophobicContact CG1-CE1 3.59Å; Y313-F321 HydrophobicContact CD2-CE1 4.24Å; Y313-F327 HydrophobicContact CD2-CE1 4.29Å; Y313-F327 HydrophobicContact CD2-CZ 4.28Å; Y313-F327 HydrophobicContact CE2-CE1 4.02Å; Y313-F327 HydrophobicContact CE2-CZ 4.3Å
314	G	95.6	Very high	98	Very high	9 Å²	9	43.4 Å²	43.4	9%	0.093	21%	0.207	C	C	.	.			trans	109.1	172.6	-173.4	0	0	0	0	0	113	F312 R316	F312-G314 VanDerWaalsContact CE1-C 3.45Å; F312-G314 VanDerWaalsContact CE1-CA 3.4Å; F312-G314 WeakPolarHBondContact CE2-O 3.42Å; F312-G314 VanDerWaalsContact CZ-O 3.27Å; F312-G314 WeakPolarHBondContact CZ-O 3.39Å; F312-G314 PolarHBondContact O-N 2.94Å; G314-R316 PolarHBondContact O-N 2.88Å
315	T	96.5	Very high	98	Very high	85 Å²	85	38.3 Å²	38.3	52%	0.521	19%	0.186	S	C	.	.	S	Bend	trans	-78.1	54.4	-170.7	52.1	0	0	0	0	113.2	F312 R336	F312-T315 HydrophobicContact CE1-CG2 4Å; F312-T315 HydrophobicContact CZ-CG2 3.84Å; T315-R336 PolarHBondContact O-NH1 3.13Å
316	R	97.3	Very high	97.9	Very high	96 Å²	96	33.4 Å²	33.4	36%	0.362	17%	0.165	S	C	.	.			trans	-86.9	147.3	-177.5	-64	177.2	-173.3	-90.6	0.9	112.3	G314 E320 F321 N332	G314-R316 PolarHBondContact O-N 2.88Å; R316-E320 WeakPolarHBondContact CA-OE2 3.32Å; R316-E320 HydrophobicContact CB-CB 4.09Å; R316-F321 HydrophobicContact CB-CD1 4.15Å; R316-F321 HydrophobicContact CB-CD2 4.4Å; R316-F321 HydrophobicContact CB-CE1 3.8Å; R316-F321 HydrophobicContact CB-CE2 4.07Å; R316-F321 HydrophobicContact CB-CG 4.43Å; R316-F321 HydrophobicContact CB-CZ 3.75Å; R316-F321 HydrophobicContact CG-CE1 4.33Å; R316-N332 PolarHBondContact O-ND2 3.13Å
317	S	98.1	Very high	97.9	Very high	7 Å²	7	31.5 Å²	31.5	5%	0.049	15%	0.152	C	C	.	.			trans	-77.1	164.6	170.8	73.5	0	0	0	0	111.3	A319 E320 F321 D335	S317-A319 PolarHBondContact O-N 2.85Å; S317-A319 PolarHBondContact OG-N 3.35Å; S317-E320 PolarHBondContact N-OE2 3.07Å; S317-E320 WeakPolarHBondContact O-CB 3.12Å; S317-E320 PolarHBondContact O-N 2.96Å; S317-E320 VanDerWaalsContact O-N 3.1Å; S317-E320 WeakPolarHBondContact OG-CG 3.41Å; S317-E320 PolarHBondContact OG-N 3.25Å; S317-F321 WeakPolarHBondContact O-CD2 3.34Å; S317-F321 PolarHBondContact O-N 3.35Å; S317-D335 WeakPolarHBondContact CB-OD1 3.46Å
318	N	98.4	Very high	97.9	Very high	3 Å²	3	29 Å²	29	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-65.5	-28.7	173.6	-83	-37	0	0	0	112.4	E320 F321 V322 F328 F329 N332 D335 L467	N318-E320 VanDerWaalsContact C-N 3.33Å; N318-F321 PolarHBondContact O-N 3.04Å; N318-V322 WeakPolarHBondContact O-CB 3.46Å; N318-V322 VanDerWaalsContact O-CG2 3.31Å; N318-V322 WeakPolarHBondContact O-CG2 3.49Å; N318-V322 PolarHBondContact O-N 2.85Å; N318-F328 HydrophobicContact CB-CD2 3.84Å; N318-F328 HydrophobicContact CB-CE2 3.66Å; N318-F329 PolarHBondContact ND2-O 3.35Å; N318-F329 PolarHBondContact OD1-N 3.23Å; N318-F329 PolarHBondContact OD1-O 3.18Å; N318-F329 VanDerWaalsContact OD1-O 3.09Å; N318-N332 PolarHBondContact N-ND2 3.39Å; N318-N332 PolarHBondContact OD1-ND2 2.84Å; N318-D335 WeakPolarHBondContact CB-OD2 3.22Å; N318-D335 PolarHBondContact N-OD1 3.43Å; N318-D335 PolarHBondContact ND2-OD2 2.87Å; N318-L467 HydrophobicContact CB-CD1 4.23Å
319	A	98.3	Very high	97.9	Very high	13 Å²	13	30 Å²	30	11%	0.107	14%	0.144	C	C	.	.	H	α-helix	trans	-61.7	-43.7	170.9	0	0	0	0	0	111	A202 S317 I323 L467	A202-A319 HydrophobicContact CB-CB 4.22Å; S317-A319 PolarHBondContact O-N 2.85Å; S317-A319 PolarHBondContact OG-N 3.35Å; A319-I323 VanDerWaalsContact O-CB 3.3Å; A319-I323 WeakPolarHBondContact O-CB 3.43Å; A319-I323 WeakPolarHBondContact O-CD1 3.17Å; A319-I323 WeakPolarHBondContact O-CG1 3.37Å; A319-I323 PolarHBondContact O-N 2.8Å; A319-L467 HydrophobicContact CB-CD1 3.99Å
320	E	98.2	Very high	97.7	Very high	61 Å²	61	35.5 Å²	35.5	29%	0.285	17%	0.17	S	C	.	.	H	α-helix	trans	-67.1	-42.5	176.9	-69.8	164.1	168.9	0	0	111.6	R316 S317 N318 I323 H324 R336	R316-E320 WeakPolarHBondContact CA-OE2 3.32Å; R316-E320 HydrophobicContact CB-CB 4.09Å; S317-E320 PolarHBondContact N-OE2 3.07Å; S317-E320 WeakPolarHBondContact O-CB 3.12Å; S317-E320 PolarHBondContact O-N 2.96Å; S317-E320 VanDerWaalsContact O-N 3.1Å; S317-E320 WeakPolarHBondContact OG-CG 3.41Å; S317-E320 PolarHBondContact OG-N 3.25Å; N318-E320 VanDerWaalsContact C-N 3.33Å; E320-I323 PolarHBondContact O-N 3.32Å; E320-H324 WeakPolarHBondContact O-CA 3.22Å; E320-H324 VanDerWaalsContact O-CB 3.3Å; E320-H324 WeakPolarHBondContact O-CB 3.26Å; E320-H324 PolarHBondContact O-N 3.22Å; E320-R336 IonicContact OE1-CZ 3.15Å; E320-R336 IonicContact OE1-NH2 2.66Å; E320-R336 PolarHBondContact OE1-NH2 2.87Å; E320-R336 IonicContact OE2-CZ 3.48Å; E320-R336 IonicContact OE2-NH1 2.74Å; E320-R336 IonicContact OE2-NH2 3.68Å; E320-R336 PolarHBondContact OE2-NH2 3.42Å
321	F	98.5	Very high	97.5	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	19%	0.193	C	C	.	.	I	π-helix	trans	-62.5	-43.9	175.8	-74.3	-48.8	0	0	0	112.6	H279 Y313 R316 S317 N318 N325 G326 F327 F329 N332	H279-F321 AromaticContact CD2-CZ 3.95Å; H279-F321 AromaticContact CE1-CZ 3.53Å; H279-F321 AromaticContact ND1-CZ 3.99Å; H279-F321 AromaticContact NE2-CE2 3.83Å; H279-F321 AromaticContact NE2-CZ 3.48Å; H279-F321 WeakPolarHBondContact NE2-CZ 3.3Å; Y313-F321 HydrophobicContact CD2-CE1 4.24Å; R316-F321 HydrophobicContact CB-CD1 4.15Å; R316-F321 HydrophobicContact CB-CD2 4.4Å; R316-F321 HydrophobicContact CB-CE1 3.8Å; R316-F321 HydrophobicContact CB-CE2 4.07Å; R316-F321 HydrophobicContact CB-CG 4.43Å; R316-F321 HydrophobicContact CB-CZ 3.75Å; R316-F321 HydrophobicContact CG-CE1 4.33Å; S317-F321 WeakPolarHBondContact O-CD2 3.34Å; S317-F321 PolarHBondContact O-N 3.35Å; N318-F321 PolarHBondContact O-N 3.04Å; F321-N325 HydrophobicContact CD1-CB 4.27Å; F321-N325 CarbonylContact O-C 3.55Å; F321-N325 VanDerWaalsContact O-C 3.26Å; F321-N325 WeakPolarHBondContact O-CA 3.06Å; F321-N325 VanDerWaalsContact O-CB 3.28Å; F321-N325 WeakPolarHBondContact O-CB 3.39Å; F321-N325 PolarHBondContact O-N 3.46Å; F321-G326 PolarHBondContact O-N 3.3Å; F321-F327 CarbonylContact C-O 3.44Å; F321-F327 HydrophobicContact CB-CE2 4.34Å; F321-F327 HydrophobicContact CB-CZ 4.34Å; F321-F327 VanDerWaalsContact CB-O 3.31Å; F321-F327 WeakPolarHBondContact CB-O 3.36Å; F321-F327 AromaticContact CD1-CE1 3.98Å; F321-F327 HydrophobicContact CD1-CE1 3.98Å; F321-F327 HydrophobicContact CD1-CE2 4.16Å; F321-F327 AromaticContact CD1-CZ 3.53Å; F321-F327 HydrophobicContact CD1-CZ 3.53Å; F321-F327 HydrophobicContact CD2-CE2 4.45Å; F321-F327 AromaticContact CE1-CZ 3.85Å; F321-F327 HydrophobicContact CE1-CZ 3.85Å; F321-F327 HydrophobicContact CG-CE2 4.11Å; F321-F327 AromaticContact CG-CZ 3.94Å; F321-F327 HydrophobicContact CG-CZ 3.94Å; F321-F327 HydrophobicContact CZ-CZ 4.5Å; F321-F327 PolarHBondContact O-N 2.85Å; F321-F329 HydrophobicContact CD2-CB 4.31Å; F321-F329 HydrophobicContact CE2-CB 4.5Å; F321-N332 WeakPolarHBondContact CE2-ND2 3.4Å
322	V	98.4	Very high	97.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-64.9	-47.7	178	169.5	0	0	0	0	110.3	P186 N318 G326 F327 F328 L467	P186-V322 WeakPolarHBondContact CD-O 3.45Å; N318-V322 WeakPolarHBondContact O-CB 3.46Å; N318-V322 VanDerWaalsContact O-CG2 3.31Å; N318-V322 WeakPolarHBondContact O-CG2 3.49Å; N318-V322 PolarHBondContact O-N 2.85Å; V322-G326 WeakPolarHBondContact O-CA 3.24Å; V322-G326 PolarHBondContact O-N 2.8Å; V322-F327 WeakPolarHBondContact CA-O 3.42Å; V322-F327 WeakPolarHBondContact CG2-O 3.27Å; V322-F327 PolarHBondContact N-O 2.73Å; V322-F327 VanDerWaalsContact N-O 3.08Å; V322-F328 HydrophobicContact CG2-CB 4.03Å; V322-F328 HydrophobicContact CG2-CD2 4.25Å; V322-L467 HydrophobicContact CB-CD2 4.19Å; V322-L467 HydrophobicContact CG1-CD2 4.19Å; V322-L467 HydrophobicContact CG2-CD2 4.37Å
323	I	98.3	Very high	97.3	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.015	21%	0.205	C	C	.	.	I	π-helix	trans	-74	-39	-172.7	-64.1	170.4	0	0	0	112.4	P186 A202 D205 V206 Q209 A319 E320	P186-I323 HydrophobicContact CG-CG1 4.29Å; A202-I323 HydrophobicContact CB-CD1 4.24Å; D205-I323 HydrophobicContact CB-CD1 3.63Å; V206-I323 HydrophobicContact CG2-CD1 4.13Å; V206-I323 HydrophobicContact CG2-CG1 3.94Å; Q209-I323 PolarHBondContact NE2-O 3.14Å; A319-I323 VanDerWaalsContact O-CB 3.3Å; A319-I323 WeakPolarHBondContact O-CB 3.43Å; A319-I323 WeakPolarHBondContact O-CD1 3.17Å; A319-I323 WeakPolarHBondContact O-CG1 3.37Å; A319-I323 PolarHBondContact O-N 2.8Å; E320-I323 PolarHBondContact O-N 3.32Å
324	H	97.6	Very high	97.2	Very high	73 Å²	73	40.3 Å²	40.3	34%	0.338	21%	0.206	S	C	.	.	I	π-helix	trans	-109.2	-20.5	-171.5	-58.6	-58.6	0	0	0	114.1	M252 T253 E320	M252-H324 CarbonylContact C-O 3.29Å; M252-H324 VanDerWaalsContact C-O 3.29Å; M252-H324 WeakPolarHBondContact CG-O 3.33Å; T253-H324 WeakPolarHBondContact CA-O 3.26Å; T253-H324 WeakPolarHBondContact CG2-O 3.35Å; T253-H324 PolarHBondContact N-O 3.22Å; E320-H324 WeakPolarHBondContact O-CA 3.22Å; E320-H324 VanDerWaalsContact O-CB 3.3Å; E320-H324 WeakPolarHBondContact O-CB 3.26Å; E320-H324 PolarHBondContact O-N 3.22Å
325	N	97.7	Very high	97.3	Very high	25 Å²	25	40.4 Å²	40.4	13%	0.134	21%	0.205	C	C	.	.	I	π-helix	trans	-116.4	-13.4	178.6	-61.7	89.1	0	0	0	113.8	T253 F321 F327	T253-N325 PolarHBondContact O-ND2 2.72Å; F321-N325 HydrophobicContact CD1-CB 4.27Å; F321-N325 CarbonylContact O-C 3.55Å; F321-N325 VanDerWaalsContact O-C 3.26Å; F321-N325 WeakPolarHBondContact O-CA 3.06Å; F321-N325 VanDerWaalsContact O-CB 3.28Å; F321-N325 WeakPolarHBondContact O-CB 3.39Å; F321-N325 PolarHBondContact O-N 3.46Å; N325-F327 HydrophobicContact CB-CD1 3.61Å; N325-F327 HydrophobicContact CB-CE1 3.4Å; N325-F327 HydrophobicContact CB-CZ 4.45Å
326	G	97.2	Very high	97.4	Very high	6 Å²	6	39.3 Å²	39.3	6%	0.062	19%	0.191	C	C	.	.	S	Bend	trans	77.3	18.1	177.2	0	0	0	0	0	114.7	D184 F321 V322	D184-G326 WeakPolarHBondContact CB-O 3.48Å; D184-G326 WeakPolarHBondContact O-CA 3.4Å; F321-G326 PolarHBondContact O-N 3.3Å; V322-G326 WeakPolarHBondContact O-CA 3.24Å; V322-G326 PolarHBondContact O-N 2.8Å
327	F	97.8	Very high	97.4	Very high	54 Å²	54	35 Å²	35	24%	0.237	18%	0.176	C	C	.	.			trans	-139.4	161.4	177.4	72.5	-89.5	0	0	0	111.8	H279 Y313 F321 V322 N325 F329	H279-F327 HydrophobicContact CB-CE2 4.2Å; H279-F327 HydrophobicContact CB-CZ 3.72Å; Y313-F327 HydrophobicContact CD2-CE1 4.29Å; Y313-F327 HydrophobicContact CD2-CZ 4.28Å; Y313-F327 HydrophobicContact CE2-CE1 4.02Å; Y313-F327 HydrophobicContact CE2-CZ 4.3Å; F321-F327 CarbonylContact C-O 3.44Å; F321-F327 HydrophobicContact CB-CE2 4.34Å; F321-F327 HydrophobicContact CB-CZ 4.34Å; F321-F327 VanDerWaalsContact CB-O 3.31Å; F321-F327 WeakPolarHBondContact CB-O 3.36Å; F321-F327 AromaticContact CD1-CE1 3.98Å; F321-F327 HydrophobicContact CD1-CE1 3.98Å; F321-F327 HydrophobicContact CD1-CE2 4.16Å; F321-F327 AromaticContact CD1-CZ 3.53Å; F321-F327 HydrophobicContact CD1-CZ 3.53Å; F321-F327 HydrophobicContact CD2-CE2 4.45Å; F321-F327 AromaticContact CE1-CZ 3.85Å; F321-F327 HydrophobicContact CE1-CZ 3.85Å; F321-F327 HydrophobicContact CG-CE2 4.11Å; F321-F327 AromaticContact CG-CZ 3.94Å; F321-F327 HydrophobicContact CG-CZ 3.94Å; F321-F327 HydrophobicContact CZ-CZ 4.5Å; F321-F327 PolarHBondContact O-N 2.85Å; V322-F327 WeakPolarHBondContact CA-O 3.42Å; V322-F327 WeakPolarHBondContact CG2-O 3.27Å; V322-F327 PolarHBondContact N-O 2.73Å; V322-F327 VanDerWaalsContact N-O 3.08Å; N325-F327 HydrophobicContact CB-CD1 3.61Å; N325-F327 HydrophobicContact CB-CE1 3.4Å; N325-F327 HydrophobicContact CB-CZ 4.45Å; F327-F329 HydrophobicContact CD2-CB 4.4Å; F327-F329 HydrophobicContact CE2-CB 4.01Å
328	F	97.9	Very high	97.4	Very high	27 Å²	27	39.3 Å²	39.3	12%	0.118	19%	0.194	C	C	.	.			trans	-111.8	135	172.9	178.6	-89.4	0	0	0	108.7	N318 V322 L463 Q466 L467 A470	N318-F328 HydrophobicContact CB-CD2 3.84Å; N318-F328 HydrophobicContact CB-CE2 3.66Å; V322-F328 HydrophobicContact CG2-CB 4.03Å; V322-F328 HydrophobicContact CG2-CD2 4.25Å; F328-L463 HydrophobicContact CB-CD2 3.5Å; F328-L463 VanDerWaalsContact CB-CD2 3.5Å; F328-Q466 HydrophobicContact CD1-CB 3.78Å; F328-Q466 HydrophobicContact CD1-CG 4.21Å; F328-Q466 HydrophobicContact CD2-CB 3.88Å; F328-Q466 HydrophobicContact CE1-CB 3.85Å; F328-Q466 HydrophobicContact CE1-CG 4.31Å; F328-Q466 HydrophobicContact CE2-CB 3.97Å; F328-Q466 HydrophobicContact CG-CB 3.79Å; F328-Q466 HydrophobicContact CZ-CB 3.96Å; F328-L467 HydrophobicContact CD2-CB 4.47Å; F328-A470 HydrophobicContact CE2-CB 3.86Å; F328-A470 HydrophobicContact CZ-CB 3.89Å
329	F	97.7	Very high	97.3	Very high	40 Å²	40	39.4 Å²	39.4	18%	0.175	19%	0.194	C	C	.	.			trans	-109.8	113.8	-179.4	-168.8	-116.6	0	0	0	110.5	H279 N318 F321 F327 D331 N332	H279-F329 AromaticContact CD2-CD2 3.91Å; H279-F329 AromaticContact CD2-CG 3.89Å; H279-F329 AromaticContact NE2-CD1 3.95Å; N318-F329 PolarHBondContact ND2-O 3.35Å; N318-F329 PolarHBondContact OD1-N 3.23Å; N318-F329 PolarHBondContact OD1-O 3.18Å; N318-F329 VanDerWaalsContact OD1-O 3.09Å; F321-F329 HydrophobicContact CD2-CB 4.31Å; F321-F329 HydrophobicContact CE2-CB 4.5Å; F327-F329 HydrophobicContact CD2-CB 4.4Å; F327-F329 HydrophobicContact CE2-CB 4.01Å; F329-D331 PolarHBondContact O-N 2.74Å; F329-N332 HydrophobicContact CB-CB 4.32Å; F329-N332 HydrophobicContact CD1-CB 3.78Å; F329-N332 PolarHBondContact O-N 3.24Å
330	Q	94.4	Very high	97.1	Very high	115 Å²	115	45.8 Å²	45.8	54%	0.537	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-41	-166.1	-173.3	61.2	47	0	0	113.7
331	D	94	Very high	97.1	Very high	125 Å²	125	43.2 Å²	43.2	67%	0.668	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.2	46	-175.9	-60.1	-50.6	0	0	0	111.1	N281 F329 A333	N281-D331 PolarHBondContact ND2-O 3.12Å; F329-D331 PolarHBondContact O-N 2.74Å; D331-A333 PolarHBondContact O-N 2.84Å; D331-A333 VanDerWaalsContact O-N 3.1Å
332	N	97.4	Very high	97	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.053	22%	0.223	C	C	.	.			trans	-68.4	106.9	-179.4	-175.2	-6.7	0	0	0	111.9	R316 N318 F321 F329 H334 D335 C372	R316-N332 PolarHBondContact O-ND2 3.13Å; N318-N332 PolarHBondContact N-ND2 3.39Å; N318-N332 PolarHBondContact OD1-ND2 2.84Å; F321-N332 WeakPolarHBondContact CE2-ND2 3.4Å; F329-N332 HydrophobicContact CB-CB 4.32Å; F329-N332 HydrophobicContact CD1-CB 3.78Å; F329-N332 PolarHBondContact O-N 3.24Å; N332-H334 PolarHBondContact O-N 3.27Å; N332-H334 VanDerWaalsContact O-N 3.14Å; N332-H334 WeakPolarHBondContact OD1-CA 3.22Å; N332-H334 PolarHBondContact OD1-N 3.34Å; N332-D335 HydrophobicContact CB-CB 4.1Å; N332-D335 PolarHBondContact O-N 2.71Å; N332-D335 PolarHBondContact OD1-N 2.89Å; N332-C372 PolarHBondContact O-SG 3.13Å
333	A	95.7	Very high	96.9	Very high	35 Å²	35	45.2 Å²	45.2	29%	0.289	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-8.9	179.1	0	0	0	0	0	113.8	N281 D331 N373	N281-A333 PolarHBondContact OD1-N 3.2Å; D331-A333 PolarHBondContact O-N 2.84Å; D331-A333 VanDerWaalsContact O-N 3.1Å; A333-N373 PolarHBondContact O-ND2 2.84Å
334	H	96.6	Very high	96.8	Very high	58 Å²	58	47.9 Å²	47.9	27%	0.269	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	12.7	-179	-57.1	-72.7	0	0	0	113	F312 N332 R336	F312-H334 AromaticContact CE2-CD2 3.78Å; F312-H334 AromaticContact CE2-NE2 3.92Å; F312-H334 AromaticContact CZ-CD2 3.57Å; F312-H334 AromaticContact CZ-NE2 3.5Å; F312-H334 WeakPolarHBondContact CZ-NE2 3.3Å; N332-H334 PolarHBondContact O-N 3.27Å; N332-H334 VanDerWaalsContact O-N 3.14Å; N332-H334 WeakPolarHBondContact OD1-CA 3.22Å; N332-H334 PolarHBondContact OD1-N 3.34Å; H334-R336 PolarHBondContact O-NH1 3.36Å
335	D	98.2	Very high	96.6	Very high	12 Å²	12	52.7 Å²	52.7	6%	0.064	27%	0.265	C	S	.	.			trans	-67.1	144.1	-179.6	-153.7	9	0	0	0	112.1	S317 N318 N332 C372 I474	S317-D335 WeakPolarHBondContact CB-OD1 3.46Å; N318-D335 WeakPolarHBondContact CB-OD2 3.22Å; N318-D335 PolarHBondContact N-OD1 3.43Å; N318-D335 PolarHBondContact ND2-OD2 2.87Å; N332-D335 HydrophobicContact CB-CB 4.1Å; N332-D335 PolarHBondContact O-N 2.71Å; N332-D335 PolarHBondContact OD1-N 2.89Å; D335-C372 HydrophobicContact CB-CB 4.36Å; D335-C372 PolarHBondContact O-N 3.08Å; D335-C372 PolarHBondContact O-SG 3.26Å; D335-I474 HydrophobicContact CB-CD1 4.11Å
336	R	97.8	Very high	96.5	Very high	62 Å²	62	56.6 Å²	56.6	23%	0.234	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	150.2	-171.8	60.4	-175.2	-177	-81.7	-2.3	112.2	T315 E320 H334 A369 L370	T315-R336 PolarHBondContact O-NH1 3.13Å; E320-R336 IonicContact OE1-CZ 3.15Å; E320-R336 IonicContact OE1-NH2 2.66Å; E320-R336 PolarHBondContact OE1-NH2 2.87Å; E320-R336 IonicContact OE2-CZ 3.48Å; E320-R336 IonicContact OE2-NH1 2.74Å; E320-R336 IonicContact OE2-NH2 3.68Å; E320-R336 PolarHBondContact OE2-NH2 3.42Å; H334-R336 PolarHBondContact O-NH1 3.36Å; R336-A369 HydrophobicContact CB-CB 4.3Å; R336-A369 HydrophobicContact CG-CB 4.5Å; R336-L370 CarbonylContact C-O 3.46Å; R336-L370 WeakPolarHBondContact CA-O 3.42Å; R336-L370 VanDerWaalsContact CB-O 3.27Å; R336-L370 WeakPolarHBondContact CB-O 3.44Å
337	V	97.7	Very high	96.3	Very high	6 Å²	6	59.2 Å²	59.2	4%	0.036	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	153.3	170.5	-58.6	0	0	0	0	111	A369 L370 E471 I474 L475	V337-A369 CarbonylContact O-C 3.6Å; V337-A369 WeakPolarHBondContact O-CA 3.25Å; V337-L370 HydrophobicContact CG2-CB 3.82Å; V337-L370 HydrophobicContact CG2-CD1 4.13Å; V337-L370 HydrophobicContact CG2-CG 4.4Å; V337-L370 PolarHBondContact N-O 3.43Å; V337-L370 PolarHBondContact O-N 3.2Å; V337-E471 HydrophobicContact CG1-CB 3.88Å; V337-E471 HydrophobicContact CG1-CG 3.9Å; V337-I474 HydrophobicContact CG1-CB 4.27Å; V337-I474 HydrophobicContact CG1-CD1 4.04Å; V337-I474 HydrophobicContact CG1-CG2 4.35Å; V337-I474 HydrophobicContact CG2-CG2 3.85Å; V337-L475 HydrophobicContact CG2-CD2 3.85Å; V337-L475 HydrophobicContact CG2-CG 4.15Å
338	K	96.8	Very high	96.3	Very high	97 Å²	97	65.6 Å²	65.6	42%	0.422	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	145.9	-178.9	-49.4	177	-152.9	173.5	0	109.9	Q201 D205 V367 F368	Q201-K338 PolarHBondContact NE2-O 3.09Å; Q201-K338 VanDerWaalsContact OE1-CA 3.31Å; Q201-K338 VanDerWaalsContact OE1-CB 3.26Å; Q201-K338 PolarHBondContact OE1-O 3.37Å; D205-K338 IonicContact OD1-NZ 3.28Å; D205-K338 IonicContact OD2-NZ 3.31Å; D205-K338 PolarHBondContact OD2-NZ 2.59Å; K338-V367 HydrophobicContact CB-CG1 3.75Å; K338-V367 HydrophobicContact CD-CG1 4.4Å; K338-V367 HydrophobicContact CG-CG1 4.35Å; K338-F368 CarbonylContact C-O 3.51Å; K338-F368 WeakPolarHBondContact CA-O 3.33Å
339	I	96.5	Very high	96.3	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	114.2	171.1	-172.6	176.7	0	0	0	109.9	L341 F368 L370 L381 L430 R433 L437	I339-L341 HydrophobicContact CD1-CD1 4.2Å; I339-L341 HydrophobicContact CD1-CD2 4.02Å; I339-L341 HydrophobicContact CD1-CG 4.21Å; I339-L341 HydrophobicContact CG1-CD1 4.44Å; I339-L341 HydrophobicContact CG1-CD2 4.01Å; I339-L341 HydrophobicContact CG1-CG 4.01Å; I339-F368 HydrophobicContact CG2-CB 3.82Å; I339-F368 PolarHBondContact N-O 2.89Å; I339-F368 PolarHBondContact O-N 3.31Å; I339-L370 HydrophobicContact CB-CD1 4.25Å; I339-L370 HydrophobicContact CB-CG 4.2Å; I339-L370 HydrophobicContact CD1-CD1 4.19Å; I339-L370 HydrophobicContact CG2-CD1 4.39Å; I339-L370 HydrophobicContact CG2-CD2 4.03Å; I339-L370 HydrophobicContact CG2-CG 3.84Å; I339-L381 HydrophobicContact CG2-CD2 4.28Å; I339-L430 HydrophobicContact CD1-CD1 4.25Å; I339-R433 HydrophobicContact CD1-CG 3.7Å; I339-R433 HydrophobicContact CG1-CG 4.49Å; I339-L437 HydrophobicContact CD1-CD1 4.47Å; I339-L437 HydrophobicContact CG1-CD1 4.36Å
340	K	95.8	Very high	96.2	Very high	148 Å²	148	66.5 Å²	66.5	64%	0.643	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	118.9	176.8	-173.4	173.9	-179.8	174.1	0	110.3	V367	K340-V367 HydrophobicContact CB-CG2 4.25Å; K340-V367 HydrophobicContact CD-CG2 4.46Å; K340-V367 HydrophobicContact CG-CG2 4.19Å
341	L	97	Very high	96.4	Very high	7 Å²	7	64.7 Å²	64.7	4%	0.037	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	150.2	178.6	-59.5	177.8	0	0	0	110.3	I339 S365 C366 F368 L381 F384 L385 F429	I339-L341 HydrophobicContact CD1-CD1 4.2Å; I339-L341 HydrophobicContact CD1-CD2 4.02Å; I339-L341 HydrophobicContact CD1-CG 4.21Å; I339-L341 HydrophobicContact CG1-CD1 4.44Å; I339-L341 HydrophobicContact CG1-CD2 4.01Å; I339-L341 HydrophobicContact CG1-CG 4.01Å; L341-S365 WeakPolarHBondContact O-CA 3.39Å; L341-C366 PolarHBondContact N-O 2.86Å; L341-C366 PolarHBondContact O-N 3.47Å; L341-C366 VanDerWaalsContact O-O 3.06Å; L341-F368 HydrophobicContact CB-CD2 4.1Å; L341-F368 HydrophobicContact CB-CE2 4.06Å; L341-F368 HydrophobicContact CD1-CD2 4.27Å; L341-F368 HydrophobicContact CG-CD2 4.37Å; L341-L381 HydrophobicContact CD1-CD1 3.66Å; L341-F384 HydrophobicContact CB-CD1 4.27Å; L341-F384 HydrophobicContact CB-CE1 3.55Å; L341-F384 HydrophobicContact CB-CZ 4Å; L341-F384 HydrophobicContact CD1-CD1 4.25Å; L341-F384 HydrophobicContact CD1-CE1 4.18Å; L341-L385 HydrophobicContact CD1-CD2 3.89Å; L341-F429 HydrophobicContact CD1-CE1 4.31Å; L341-F429 HydrophobicContact CD2-CE1 3.88Å; L341-F429 HydrophobicContact CD2-CZ 3.81Å
342	G	96.4	Very high	96.5	Very high	31 Å²	31	60.6 Å²	60.6	32%	0.32	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	150.5	177.2	0	0	0	0	0	112.1	A364	G342-A364 CarbonylContact C-O 3.57Å; G342-A364 WeakPolarHBondContact CA-O 3.49Å
343	V	96.2	Very high	96.6	Very high	11 Å²	11	60.5 Å²	60.5	7%	0.067	31%	0.311	C	S	.	.			trans	-77.5	126.1	172.7	-170.8	0	0	0	0	108.2	E347 Y350 K353 L357 A364 F384 F388	V343-E347 VanDerWaalsContact CG1-OE2 3.26Å; V343-E347 WeakPolarHBondContact CG1-OE2 3.33Å; V343-Y350 HydrophobicContact CB-CD2 4.18Å; V343-Y350 HydrophobicContact CB-CE2 4.45Å; V343-Y350 HydrophobicContact CG1-CD2 3.82Å; V343-K353 HydrophobicContact CG1-CB 4.11Å; V343-K353 HydrophobicContact CG1-CD 3.86Å; V343-K353 HydrophobicContact CG2-CB 4.36Å; V343-L357 HydrophobicContact CG2-CD1 3.82Å; V343-A364 PolarHBondContact N-O 3.16Å; V343-F384 HydrophobicContact CG2-CE2 4.41Å; V343-F384 HydrophobicContact CG2-CZ 4.33Å; V343-F388 HydrophobicContact CG2-CD2 4.39Å
344	S	95.9	Very high	96.6	Very high	59 Å²	59	59.9 Å²	59.9	41%	0.413	31%	0.306	S	S	.	.			trans	-69.3	134.3	-178.9	-176.4	0	0	0	0	110.8	S346 E347 Y350	S344-S346 PolarHBondContact O-N 3.43Å; S344-S346 VanDerWaalsContact O-N 3.17Å; S344-S346 PolarHBondContact OG-N 3.14Å; S344-S346 PolarHBondContact OG-OG 2.85Å; S344-E347 WeakPolarHBondContact O-CB 3.21Å; S344-E347 PolarHBondContact O-N 2.89Å; S344-Y350 VanDerWaalsContact O-CD2 3.3Å; S344-Y350 WeakPolarHBondContact O-CD2 3.29Å
345	K	94.4	Very high	96.6	Very high	174 Å²	174	61.1 Å²	61.1	76%	0.757	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.5	173.4	-65.6	-173	179.7	-176.5	0	113.4	E347 Y350	K345-E347 VanDerWaalsContact C-N 3.27Å; K345-Y350 HydrophobicContact CG-CD2 4.43Å; K345-Y350 HydrophobicContact CG-CE2 3.89Å
346	S	95.4	Very high	96.6	Very high	108 Å²	108	60.5 Å²	60.5	76%	0.755	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-6.6	174.4	62.3	0	0	0	0	113.4	S344	S344-S346 PolarHBondContact O-N 3.43Å; S344-S346 VanDerWaalsContact O-N 3.17Å; S344-S346 PolarHBondContact OG-N 3.14Å; S344-S346 PolarHBondContact OG-OG 2.85Å
347	E	93.8	Very high	96.5	Very high	60 Å²	60	57.6 Å²	57.6	28%	0.28	30%	0.298	S	S	.	.	S	Bend	trans	-72.7	131.5	179.3	-175.7	169.9	-169.9	0	0	111	V343 S344 K345 L349 Y350 K353	V343-E347 VanDerWaalsContact CG1-OE2 3.26Å; V343-E347 WeakPolarHBondContact CG1-OE2 3.33Å; S344-E347 WeakPolarHBondContact O-CB 3.21Å; S344-E347 PolarHBondContact O-N 2.89Å; K345-E347 VanDerWaalsContact C-N 3.27Å; E347-L349 PolarHBondContact O-N 3.39Å; E347-L349 VanDerWaalsContact O-N 3.16Å; E347-Y350 WeakPolarHBondContact O-CB 3.36Å; E347-Y350 PolarHBondContact O-N 2.92Å; E347-K353 VanDerWaalsContact CD-NZ 3.27Å; E347-K353 WeakPolarHBondContact OE1-CE 3.38Å; E347-K353 IonicContact OE1-NZ 2.67Å; E347-K353 PolarHBondContact OE1-NZ 3.27Å; E347-K353 IonicContact OE2-NZ 2.67Å; E347-K353 PolarHBondContact OE2-NZ 2.71Å
348	R	96.9	Very high	96.4	Very high	188 Å²	188	60.3 Å²	60.3	71%	0.709	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-37.3	178.7	-174.3	-177.9	70.3	83.4	-5.4	112.9	E392	R348-E392 IonicContact CZ-OE2 3.67Å; R348-E392 VanDerWaalsContact CZ-OE2 3.28Å; R348-E392 IonicContact NH1-OE2 3.91Å; R348-E392 PolarHBondContact NH1-OE2 2.95Å; R348-E392 IonicContact NH2-OE2 2.78Å; R348-E392 PolarHBondContact NH2-OE2 3.43Å
349	L	96.9	Very high	96.3	Very high	18 Å²	18	61.2 Å²	61.2	9%	0.094	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	10.4	-178.4	-61.3	178	0	0	0	113.5	E347 A351 M352 K353 E392 L395	E347-L349 PolarHBondContact O-N 3.39Å; E347-L349 VanDerWaalsContact O-N 3.16Å; L349-A351 VanDerWaalsContact C-N 3.34Å; L349-A351 PolarHBondContact O-N 3.07Å; L349-M352 HydrophobicContact CD2-SD 4.09Å; L349-M352 PolarHBondContact O-N 2.84Å; L349-K353 PolarHBondContact O-N 2.76Å; L349-E392 HydrophobicContact CD1-CB 4.36Å; L349-E392 HydrophobicContact CD2-CB 3.99Å; L349-E392 HydrophobicContact CD2-CG 3.95Å; L349-L395 HydrophobicContact CB-CD1 4.07Å; L349-L395 HydrophobicContact CD1-CD1 4.04Å; L349-L395 HydrophobicContact CG-CD1 4.46Å
350	Y	97.4	Very high	96.2	Very high	69 Å²	69	62.6 Å²	62.6	27%	0.271	33%	0.334	S	S	.	.	H	α-helix	trans	-51.9	-49	-175.5	172.9	-93.8	0	0	0	112.8	V343 S344 K345 E347 M352 K353 A354	V343-Y350 HydrophobicContact CB-CD2 4.18Å; V343-Y350 HydrophobicContact CB-CE2 4.45Å; V343-Y350 HydrophobicContact CG1-CD2 3.82Å; S344-Y350 VanDerWaalsContact O-CD2 3.3Å; S344-Y350 WeakPolarHBondContact O-CD2 3.29Å; K345-Y350 HydrophobicContact CG-CD2 4.43Å; K345-Y350 HydrophobicContact CG-CE2 3.89Å; E347-Y350 WeakPolarHBondContact O-CB 3.36Å; E347-Y350 PolarHBondContact O-N 2.92Å; Y350-M352 PolarHBondContact O-N 3.32Å; Y350-K353 PolarHBondContact O-N 3.34Å; Y350-A354 HydrophobicContact CE1-CB 4.3Å; Y350-A354 VanDerWaalsContact O-CB 3.23Å; Y350-A354 WeakPolarHBondContact O-CB 3.31Å; Y350-A354 PolarHBondContact O-N 3.42Å
351	A	97.4	Very high	96.2	Very high	76 Å²	76	58.5 Å²	58.5	63%	0.628	33%	0.334	S	S	*	.	H	α-helix	trans	-61.8	-42.9	-176.1	0	0	0	0	0	112.2	L349 E355	L349-A351 VanDerWaalsContact C-N 3.34Å; L349-A351 PolarHBondContact O-N 3.07Å; A351-E355 WeakPolarHBondContact O-CB 3.45Å; A351-E355 PolarHBondContact O-N 2.81Å
352	M	97.3	Very high	96.1	Very high	40 Å²	40	58.8 Å²	58.8	20%	0.197	34%	0.335	C	S	.	.	H	α-helix	trans	-67.6	-45.1	178.6	-67.5	175.4	76.8	0	0	111.5	L349 Y350 E355 V356 E392 L395 K396 L399	L349-M352 HydrophobicContact CD2-SD 4.09Å; L349-M352 PolarHBondContact O-N 2.84Å; Y350-M352 PolarHBondContact O-N 3.32Å; M352-E355 PolarHBondContact O-N 3.29Å; M352-V356 WeakPolarHBondContact O-CG2 3.43Å; M352-V356 PolarHBondContact O-N 3.38Å; M352-E392 HydrophobicContact CE-CG 4.24Å; M352-E392 HydrophobicContact SD-CG 4.22Å; M352-L395 HydrophobicContact CB-CB 4.28Å; M352-L395 HydrophobicContact CB-CD1 3.92Å; M352-L395 HydrophobicContact CB-CG 4.49Å; M352-L395 HydrophobicContact CE-CB 3.62Å; M352-K396 HydrophobicContact CE-CG 3.79Å; M352-L399 HydrophobicContact CB-CD1 3.84Å; M352-L399 HydrophobicContact CE-CD1 3.8Å; M352-L399 HydrophobicContact CG-CD1 3.91Å
353	K	97.9	Very high	96.1	Very high	7 Å²	7	60.4 Å²	60.4	3%	0.03	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-44.6	176.8	-72	-179.4	170.1	-177	0	112	V343 E347 L349 Y350 E355 V356 L357 V387 F388 L395	V343-K353 HydrophobicContact CG1-CB 4.11Å; V343-K353 HydrophobicContact CG1-CD 3.86Å; V343-K353 HydrophobicContact CG2-CB 4.36Å; E347-K353 VanDerWaalsContact CD-NZ 3.27Å; E347-K353 WeakPolarHBondContact OE1-CE 3.38Å; E347-K353 IonicContact OE1-NZ 2.67Å; E347-K353 PolarHBondContact OE1-NZ 3.27Å; E347-K353 IonicContact OE2-NZ 2.67Å; E347-K353 PolarHBondContact OE2-NZ 2.71Å; L349-K353 PolarHBondContact O-N 2.76Å; Y350-K353 PolarHBondContact O-N 3.34Å; K353-E355 VanDerWaalsContact C-N 3.3Å; K353-E355 PolarHBondContact O-N 3.16Å; K353-V356 PolarHBondContact O-N 3.11Å; K353-L357 WeakPolarHBondContact O-CB 3.04Å; K353-L357 VanDerWaalsContact O-CG 3.24Å; K353-L357 WeakPolarHBondContact O-CG 3.27Å; K353-L357 PolarHBondContact O-N 2.86Å; K353-V387 HydrophobicContact CB-CG1 4.05Å; K353-V387 VanDerWaalsContact CE-O 3.23Å; K353-V387 WeakPolarHBondContact CE-O 3.4Å; K353-V387 HydrophobicContact CG-CG1 4.14Å; K353-F388 PolarHBondContact NZ-O 2.81Å; K353-L395 HydrophobicContact CG-CD1 3.79Å; K353-L395 HydrophobicContact CG-CD2 3.97Å
354	A	97.3	Very high	96	Very high	23 Å²	23	61 Å²	61	19%	0.19	35%	0.347	C	S	.	.	H	α-helix	trans	-62.2	-38.6	178.3	0	0	0	0	0	111.8	Y350 A358 A364	Y350-A354 HydrophobicContact CE1-CB 4.3Å; Y350-A354 VanDerWaalsContact O-CB 3.23Å; Y350-A354 WeakPolarHBondContact O-CB 3.31Å; Y350-A354 PolarHBondContact O-N 3.42Å; A354-A358 VanDerWaalsContact O-CB 3.26Å; A354-A358 WeakPolarHBondContact O-CB 3.24Å; A354-A358 PolarHBondContact O-N 2.68Å; A354-A364 HydrophobicContact CB-CB 4.39Å
355	E	96.4	Very high	96	Very high	83 Å²	83	61.7 Å²	61.7	39%	0.388	35%	0.351	S	S	.	.	H	α-helix	trans	-67.2	-46.4	176.1	178.9	62.9	-163.8	0	0	112.1	A351 M352 K353 L357 A358 R359 L399	A351-E355 WeakPolarHBondContact O-CB 3.45Å; A351-E355 PolarHBondContact O-N 2.81Å; M352-E355 PolarHBondContact O-N 3.29Å; K353-E355 VanDerWaalsContact C-N 3.3Å; K353-E355 PolarHBondContact O-N 3.16Å; E355-L357 VanDerWaalsContact C-N 3.33Å; E355-L357 PolarHBondContact O-N 3.15Å; E355-A358 PolarHBondContact O-N 2.95Å; E355-R359 WeakPolarHBondContact O-CG 3.37Å; E355-R359 PolarHBondContact O-N 2.81Å; E355-R359 IonicContact OE1-CZ 3.47Å; E355-R359 IonicContact OE1-NE 2.75Å; E355-R359 PolarHBondContact OE1-NE 2.93Å; E355-R359 IonicContact OE1-NH2 2.73Å; E355-R359 PolarHBondContact OE1-NH2 3.33Å; E355-R359 VanDerWaalsContact OE1-NH2 3.11Å; E355-L399 HydrophobicContact CB-CD2 4Å; E355-L399 HydrophobicContact CG-CD2 3.43Å; E355-L399 VanDerWaalsContact CG-CD2 3.43Å
356	V	96.5	Very high	96	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.1	-43.9	176.1	176.3	0	0	0	0	110.8	M352 K353 A358 R359 A360 V387 L395 L399 L411	M352-V356 WeakPolarHBondContact O-CG2 3.43Å; M352-V356 PolarHBondContact O-N 3.38Å; K353-V356 PolarHBondContact O-N 3.11Å; V356-A358 PolarHBondContact O-N 3.09Å; V356-R359 PolarHBondContact O-N 2.54Å; V356-A360 WeakPolarHBondContact O-CB 3.33Å; V356-A360 PolarHBondContact O-N 2.82Å; V356-V387 HydrophobicContact CB-CG1 4.16Å; V356-V387 HydrophobicContact CG1-CG1 4.19Å; V356-V387 HydrophobicContact CG1-CG2 3.67Å; V356-L395 HydrophobicContact CB-CD2 4.46Å; V356-L395 HydrophobicContact CG2-CD2 3.9Å; V356-L399 HydrophobicContact CG2-CD1 4.34Å; V356-L399 HydrophobicContact CG2-CD2 3.62Å; V356-L399 HydrophobicContact CG2-CG 3.72Å; V356-L411 HydrophobicContact CG1-CD1 4.05Å
357	L	96.8	Very high	96	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62	-42.4	175.5	-71.2	175.1	0	0	0	111.9	V343 K353 E355 R359 A360 G361 I362 A364 F384 V387	V343-L357 HydrophobicContact CG2-CD1 3.82Å; K353-L357 WeakPolarHBondContact O-CB 3.04Å; K353-L357 VanDerWaalsContact O-CG 3.24Å; K353-L357 WeakPolarHBondContact O-CG 3.27Å; K353-L357 PolarHBondContact O-N 2.86Å; E355-L357 VanDerWaalsContact C-N 3.33Å; E355-L357 PolarHBondContact O-N 3.15Å; L357-R359 PolarHBondContact O-N 3.1Å; L357-A360 CarbonylContact O-C 3.26Å; L357-A360 WeakPolarHBondContact O-CA 3.45Å; L357-A360 PolarHBondContact O-N 3.04Å; L357-A360 VanDerWaalsContact O-N 3.12Å; L357-G361 PolarHBondContact O-N 2.81Å; L357-G361 VanDerWaalsContact O-N 3.1Å; L357-I362 CarbonylContact C-O 3.45Å; L357-I362 VanDerWaalsContact C-O 3.31Å; L357-I362 HydrophobicContact CB-CB 4.41Å; L357-I362 WeakPolarHBondContact CB-O 3.39Å; L357-I362 HydrophobicContact CD2-CB 4.05Å; L357-I362 HydrophobicContact CD2-CD1 4.48Å; L357-I362 HydrophobicContact CD2-CG2 4.02Å; L357-I362 PolarHBondContact O-N 2.99Å; L357-A364 HydrophobicContact CD1-CB 4.48Å; L357-F384 HydrophobicContact CD1-CD2 3.97Å; L357-F384 HydrophobicContact CD1-CE2 3.88Å; L357-F384 HydrophobicContact CD2-CB 4.5Å; L357-F384 HydrophobicContact CD2-CD2 3.92Å; L357-V387 HydrophobicContact CD2-CB 3.89Å; L357-V387 HydrophobicContact CD2-CG1 4.08Å; L357-V387 HydrophobicContact CD2-CG2 4.09Å; L357-V387 HydrophobicContact CG-CB 4.25Å; L357-V387 HydrophobicContact CG-CG1 3.86Å
358	A	96.2	Very high	96.2	Very high	64 Å²	64	51.5 Å²	51.5	53%	0.529	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-42.6	177.7	0	0	0	0	0	112	A354 E355 V356 A360 G361	A354-A358 VanDerWaalsContact O-CB 3.26Å; A354-A358 WeakPolarHBondContact O-CB 3.24Å; A354-A358 PolarHBondContact O-N 2.68Å; E355-A358 PolarHBondContact O-N 2.95Å; V356-A358 PolarHBondContact O-N 3.09Å; A358-A360 VanDerWaalsContact C-N 3.25Å; A358-A360 PolarHBondContact O-N 2.9Å; A358-G361 PolarHBondContact O-N 3.15Å
359	R	94.7	Very high	96.2	Very high	115 Å²	115	43.6 Å²	43.6	43%	0.434	28%	0.278	S	S	.	.	H	α-helix	trans	-65.7	-28.5	174.3	-65.5	-179.3	-172.4	-170.6	1.4	113	E355 V356 L357 G361 L399 I408	E355-R359 WeakPolarHBondContact O-CG 3.37Å; E355-R359 PolarHBondContact O-N 2.81Å; E355-R359 IonicContact OE1-CZ 3.47Å; E355-R359 IonicContact OE1-NE 2.75Å; E355-R359 PolarHBondContact OE1-NE 2.93Å; E355-R359 IonicContact OE1-NH2 2.73Å; E355-R359 PolarHBondContact OE1-NH2 3.33Å; E355-R359 VanDerWaalsContact OE1-NH2 3.11Å; V356-R359 PolarHBondContact O-N 2.54Å; L357-R359 PolarHBondContact O-N 3.1Å; R359-G361 VanDerWaalsContact C-N 3.28Å; R359-L399 PolarHBondContact NH1-O 3.39Å; R359-L399 VanDerWaalsContact NH1-O 3.16Å; R359-I408 HydrophobicContact CB-CD1 3.74Å; R359-I408 HydrophobicContact CG-CD1 4.44Å
360	A	93.6	Very high	96.2	Very high	34 Å²	34	42.7 Å²	42.7	28%	0.281	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-0.7	172.6	0	0	0	0	0	113.6	V356 L357 A358 I362 I408 L411	V356-A360 WeakPolarHBondContact O-CB 3.33Å; V356-A360 PolarHBondContact O-N 2.82Å; L357-A360 CarbonylContact O-C 3.26Å; L357-A360 WeakPolarHBondContact O-CA 3.45Å; L357-A360 PolarHBondContact O-N 3.04Å; L357-A360 VanDerWaalsContact O-N 3.12Å; A358-A360 VanDerWaalsContact C-N 3.25Å; A358-A360 PolarHBondContact O-N 2.9Å; A360-I362 VanDerWaalsContact C-N 3.29Å; A360-I362 HydrophobicContact CB-CD1 4.14Å; A360-I362 HydrophobicContact CB-CG1 4.17Å; A360-I362 PolarHBondContact O-N 3.11Å; A360-I408 HydrophobicContact CB-CG2 3.94Å; A360-L411 HydrophobicContact CB-CD1 4.35Å
361	G	95.3	Very high	96.2	Very high	61 Å²	61	42 Å²	42	63%	0.629	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	21.9	-176	0	0	0	0	0	114.2	L357 A358 R359	L357-G361 PolarHBondContact O-N 2.81Å; L357-G361 VanDerWaalsContact O-N 3.1Å; A358-G361 PolarHBondContact O-N 3.15Å; R359-G361 VanDerWaalsContact C-N 3.28Å
362	I	96.3	Very high	96	Very high	13 Å²	13	39.6 Å²	39.6	7%	0.067	25%	0.251	C	S	.	.			trans	-108.5	128.7	-177	-56.1	176.3	0	0	0	109.8	L357 A360 F368 Q380 A383 F384	L357-I362 CarbonylContact C-O 3.45Å; L357-I362 VanDerWaalsContact C-O 3.31Å; L357-I362 HydrophobicContact CB-CB 4.41Å; L357-I362 WeakPolarHBondContact CB-O 3.39Å; L357-I362 HydrophobicContact CD2-CB 4.05Å; L357-I362 HydrophobicContact CD2-CD1 4.48Å; L357-I362 HydrophobicContact CD2-CG2 4.02Å; L357-I362 PolarHBondContact O-N 2.99Å; A360-I362 VanDerWaalsContact C-N 3.29Å; A360-I362 HydrophobicContact CB-CD1 4.14Å; A360-I362 HydrophobicContact CB-CG1 4.17Å; A360-I362 PolarHBondContact O-N 3.11Å; I362-F368 HydrophobicContact CG2-CE1 4.49Å; I362-F368 HydrophobicContact CG2-CZ 4.25Å; I362-Q380 HydrophobicContact CD1-CG 3.98Å; I362-Q380 HydrophobicContact CG1-CG 3.93Å; I362-A383 HydrophobicContact CD1-CB 3.57Å; I362-F384 HydrophobicContact CG2-CB 4.3Å; I362-F384 HydrophobicContact CG2-CD2 3.97Å
363	P	95.4	Very high	95.7	Very high	65 Å²	65	41.3 Å²	41.3	42%	0.422	26%	0.261	S	S	.	.			trans	-65.2	143.3	173.8	-22	33.4	0	0	0	112.6	S365 C366	P363-S365 PolarHBondContact O-N 3.14Å; P363-C366 HydrophobicContact CB-CB 4.39Å
364	A	94.1	Very high	95.2	Very high	25 Å²	25	45.9 Å²	45.9	21%	0.207	28%	0.282	C	S	.	.	S	Bend	trans	-64.2	-12.7	176.7	0	0	0	0	0	114.3	G342 V343 A354 L357	G342-A364 CarbonylContact C-O 3.57Å; G342-A364 WeakPolarHBondContact CA-O 3.49Å; V343-A364 PolarHBondContact N-O 3.16Å; A354-A364 HydrophobicContact CB-CB 4.39Å; L357-A364 HydrophobicContact CD1-CB 4.48Å
365	S	95.7	Very high	94.9	Very high	73 Å²	73	48.9 Å²	48.9	51%	0.51	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	122.2	172.7	-179.3	0	0	0	0	108.5	L341 P363	L341-S365 WeakPolarHBondContact O-CA 3.39Å; P363-S365 PolarHBondContact O-N 3.14Å
366	C	94.3	Very high	94.7	Very high	35 Å²	35	44.9 Å²	44.9	24%	0.236	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	162.5	-174.7	-163.9	0	0	0	0	111.2	L341 P363 F368	L341-C366 PolarHBondContact N-O 2.86Å; L341-C366 PolarHBondContact O-N 3.47Å; L341-C366 VanDerWaalsContact O-O 3.06Å; P363-C366 HydrophobicContact CB-CB 4.39Å; C366-F368 HydrophobicContact CB-CD2 4.34Å; C366-F368 HydrophobicContact CB-CE1 4.35Å; C366-F368 HydrophobicContact CB-CE2 3.76Å; C366-F368 HydrophobicContact CB-CZ 3.76Å
367	V	96	Very high	94.7	Very high	83 Å²	83	45.5 Å²	45.5	50%	0.503	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	110.7	168.6	-178.7	0	0	0	0	107.3	K338 K340	K338-V367 HydrophobicContact CB-CG1 3.75Å; K338-V367 HydrophobicContact CD-CG1 4.4Å; K338-V367 HydrophobicContact CG-CG1 4.35Å; K340-V367 HydrophobicContact CB-CG2 4.25Å; K340-V367 HydrophobicContact CD-CG2 4.46Å; K340-V367 HydrophobicContact CG-CG2 4.19Å
368	F	97.1	Very high	94.7	Very high	9 Å²	9	47.5 Å²	47.5	4%	0.039	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	175.3	176.4	-58.7	-86.9	0	0	0	110.7	K338 I339 L341 I362 C366 Q380 L381 F384	K338-F368 CarbonylContact C-O 3.51Å; K338-F368 WeakPolarHBondContact CA-O 3.33Å; I339-F368 HydrophobicContact CG2-CB 3.82Å; I339-F368 PolarHBondContact N-O 2.89Å; I339-F368 PolarHBondContact O-N 3.31Å; L341-F368 HydrophobicContact CB-CD2 4.1Å; L341-F368 HydrophobicContact CB-CE2 4.06Å; L341-F368 HydrophobicContact CD1-CD2 4.27Å; L341-F368 HydrophobicContact CG-CD2 4.37Å; I362-F368 HydrophobicContact CG2-CE1 4.49Å; I362-F368 HydrophobicContact CG2-CZ 4.25Å; C366-F368 HydrophobicContact CB-CD2 4.34Å; C366-F368 HydrophobicContact CB-CE1 4.35Å; C366-F368 HydrophobicContact CB-CE2 3.76Å; C366-F368 HydrophobicContact CB-CZ 3.76Å; F368-Q380 HydrophobicContact CE1-CG 4.23Å; F368-L381 HydrophobicContact CB-CB 4.28Å; F368-L381 HydrophobicContact CB-CD1 3.89Å; F368-L381 HydrophobicContact CB-CD2 4Å; F368-L381 HydrophobicContact CB-CG 4.28Å; F368-L381 HydrophobicContact CD1-CB 3.89Å; F368-L381 HydrophobicContact CD1-CD1 4.05Å; F368-L381 HydrophobicContact CD1-CG 4.5Å; F368-L381 HydrophobicContact CD2-CD1 3.87Å; F368-L381 HydrophobicContact CE2-CD1 4.41Å; F368-L381 HydrophobicContact CG-CB 4.23Å; F368-L381 HydrophobicContact CG-CD1 3.67Å; F368-L381 HydrophobicContact CG-CG 4.37Å; F368-F384 HydrophobicContact CE1-CB 4.09Å; F368-F384 HydrophobicContact CE1-CG 4.38Å; F368-F384 HydrophobicContact CE2-CB 4.29Å; F368-F384 AromaticContact CE2-CD1 3.91Å; F368-F384 HydrophobicContact CE2-CD1 3.91Å; F368-F384 AromaticContact CE2-CD2 3.91Å; F368-F384 HydrophobicContact CE2-CD2 3.91Å; F368-F384 HydrophobicContact CE2-CE1 4.27Å; F368-F384 HydrophobicContact CE2-CE2 4.23Å; F368-F384 AromaticContact CE2-CG 3.74Å; F368-F384 HydrophobicContact CE2-CG 3.74Å; F368-F384 HydrophobicContact CE2-CZ 4.41Å; F368-F384 HydrophobicContact CZ-CB 3.62Å; F368-F384 HydrophobicContact CZ-CD1 4.09Å; F368-F384 AromaticContact CZ-CD2 3.54Å; F368-F384 HydrophobicContact CZ-CD2 3.54Å; F368-F384 HydrophobicContact CZ-CE2 4.25Å; F368-F384 AromaticContact CZ-CG 3.45Å; F368-F384 HydrophobicContact CZ-CG 3.45Å; F368-F384 VanDerWaalsContact CZ-CG 3.45Å
369	A	97.2	Very high	94.6	Very high	22 Å²	22	47.3 Å²	47.3	18%	0.182	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143.6	174.4	0	0	0	0	0	111.3	R336 V337 L381	R336-A369 HydrophobicContact CB-CB 4.3Å; R336-A369 HydrophobicContact CG-CB 4.5Å; V337-A369 CarbonylContact O-C 3.6Å; V337-A369 WeakPolarHBondContact O-CA 3.25Å; A369-L381 WeakPolarHBondContact O-CD2 3.37Å
370	L	97.9	Very high	94.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.2	164.3	-59.6	176.1	0	0	0	107.8	R336 V337 I339 P376 I377 L381 L430 I474 L475 V478	R336-L370 CarbonylContact C-O 3.46Å; R336-L370 WeakPolarHBondContact CA-O 3.42Å; R336-L370 VanDerWaalsContact CB-O 3.27Å; R336-L370 WeakPolarHBondContact CB-O 3.44Å; V337-L370 HydrophobicContact CG2-CB 3.82Å; V337-L370 HydrophobicContact CG2-CD1 4.13Å; V337-L370 HydrophobicContact CG2-CG 4.4Å; V337-L370 PolarHBondContact N-O 3.43Å; V337-L370 PolarHBondContact O-N 3.2Å; I339-L370 HydrophobicContact CB-CD1 4.25Å; I339-L370 HydrophobicContact CB-CG 4.2Å; I339-L370 HydrophobicContact CD1-CD1 4.19Å; I339-L370 HydrophobicContact CG2-CD1 4.39Å; I339-L370 HydrophobicContact CG2-CD2 4.03Å; I339-L370 HydrophobicContact CG2-CG 3.84Å; L370-P376 CarbonylContact C-O 3.55Å; L370-P376 WeakPolarHBondContact CA-O 3.38Å; L370-I377 HydrophobicContact CD2-CG2 3.85Å; L370-L381 HydrophobicContact CD2-CD2 3.85Å; L370-L430 HydrophobicContact CD2-CD1 4.04Å; L370-I474 HydrophobicContact CB-CG2 4.33Å; L370-L475 HydrophobicContact CD1-CD2 3.78Å; L370-V478 HydrophobicContact CB-CG2 3.85Å; L370-V478 HydrophobicContact CD1-CB 4.49Å; L370-V478 HydrophobicContact CD1-CG1 4.12Å; L370-V478 HydrophobicContact CD1-CG2 4.07Å; L370-V478 HydrophobicContact CD2-CG1 4.19Å; L370-V478 HydrophobicContact CD2-CG2 4.37Å; L370-V478 HydrophobicContact CG-CG2 4.32Å
371	H	96.3	Very high	94.9	Very high	54 Å²	54	44.5 Å²	44.5	25%	0.25	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	152.1	-172.2	-64.3	-92.8	0	0	0	111.6	N373 P376	H371-N373 PolarHBondContact O-N 3.47Å; H371-P376 PolarHBondContact N-O 3.3Å
372	C	93.4	Very high	95.1	Very high	25 Å²	25	42.1 Å²	42.1	17%	0.169	26%	0.256	C	S	.	.	S	Bend	trans	-68.7	-18.4	171.9	60.4	0	0	0	0	113.4	N332 D335 I474 K477	N332-C372 PolarHBondContact O-SG 3.13Å; D335-C372 HydrophobicContact CB-CB 4.36Å; D335-C372 PolarHBondContact O-N 3.08Å; D335-C372 PolarHBondContact O-SG 3.26Å; C372-I474 HydrophobicContact CB-CD1 4.3Å; C372-I474 HydrophobicContact CB-CG1 3.96Å; C372-K477 WeakPolarHBondContact O-CD 3.47Å; C372-K477 WeakPolarHBondContact O-CE 3.25Å; C372-K477 PolarHBondContact O-NZ 3.44Å
373	N	90.6	Very high	95.1	Very high	77 Å²	77	41.8 Å²	41.8	41%	0.412	25%	0.254	S	S	.	.	S	Bend	trans	-87	170.8	-179.2	-63.4	-24.8	0	0	0	113.1	A333 H371 P375 P376	A333-N373 PolarHBondContact O-ND2 2.84Å; H371-N373 PolarHBondContact O-N 3.47Å; N373-P375 CarbonylContact O-C 3.53Å; N373-P375 VanDerWaalsContact O-C 3.22Å; N373-P376 VanDerWaalsContact O-CA 3.29Å; N373-P376 WeakPolarHBondContact O-CA 3.48Å
374	E	87.9	Confident	95.3	Very high	102 Å²	102	38.7 Å²	38.7	48%	0.477	24%	0.235	S	C	.	.	S	Bend	trans	-102.6	129.8	168.4	-69.8	-65.6	152.7	0	0	109.6	P376 K477 S481	E374-P376 WeakPolarHBondContact OE2-CD 3.32Å; E374-K477 WeakPolarHBondContact OE1-CE 3.41Å; E374-S481 PolarHBondContact OE2-OG 2.96Å
375	P	90.1	Very high	95.5	Very high	86 Å²	86	37.5 Å²	37.5	56%	0.558	23%	0.225	S	C	*	.	S	Bend	cis	-70.3	150.8	-4.6	30.7	-35	0	0	0	112.6	N373 I377	N373-P375 CarbonylContact O-C 3.53Å; N373-P375 VanDerWaalsContact O-C 3.22Å; P375-I377 PolarHBondContact O-N 2.92Å
376	P	93.5	Very high	95.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-78.7	0	-175.7	32.7	-37.7	0	0	0	113.8	L370 H371 N373 E374 V478	L370-P376 CarbonylContact C-O 3.55Å; L370-P376 WeakPolarHBondContact CA-O 3.38Å; H371-P376 PolarHBondContact N-O 3.3Å; N373-P376 VanDerWaalsContact O-CA 3.29Å; N373-P376 WeakPolarHBondContact O-CA 3.48Å; E374-P376 WeakPolarHBondContact OE2-CD 3.32Å; P376-V478 HydrophobicContact CB-CG2 3.8Å
377	I	96.1	Very high	95.8	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.062	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-131.3	145.4	-177	62.9	175.5	0	0	0	110.3	L370 P375 L381 L382 L385 W427 L430	L370-I377 HydrophobicContact CD2-CG2 3.85Å; P375-I377 PolarHBondContact O-N 2.92Å; I377-L381 HydrophobicContact CB-CB 4.27Å; I377-L381 HydrophobicContact CB-CD2 3.74Å; I377-L381 HydrophobicContact CB-CG 4.02Å; I377-L381 HydrophobicContact CG2-CD2 3.47Å; I377-L381 VanDerWaalsContact CG2-CD2 3.47Å; I377-L381 HydrophobicContact CG2-CG 4.09Å; I377-L382 HydrophobicContact CD1-CB 4.01Å; I377-L382 HydrophobicContact CD1-CD1 4.1Å; I377-L385 HydrophobicContact CD1-CD1 4.2Å; I377-W427 HydrophobicContact CD1-CH2 3.48Å; I377-W427 VanDerWaalsContact CD1-CH2 3.48Å; I377-W427 HydrophobicContact CD1-CZ2 3.94Å; I377-W427 HydrophobicContact CD1-CZ3 4.08Å; I377-W427 HydrophobicContact CG1-CH2 3.96Å; I377-L430 HydrophobicContact CG2-CD2 3.65Å
378	S	95.9	Very high	95.8	Very high	43 Å²	43	30.8 Å²	30.8	30%	0.301	18%	0.176	S	C	.	.			trans	-75.6	163.9	174.2	69.5	0	0	0	0	112.1	Q380 L381 L382	S378-Q380 PolarHBondContact O-N 3.26Å; S378-L381 PolarHBondContact O-N 3.1Å; S378-L381 VanDerWaalsContact O-N 3.12Å; S378-L381 PolarHBondContact OG-N 3.34Å; S378-L382 PolarHBondContact O-N 3.1Å
379	A	96	Very high	95.9	Very high	60 Å²	60	31.2 Å²	31.2	50%	0.496	18%	0.18	S	C	.	.	H	α-helix	trans	-54.1	-39.2	172.1	0	0	0	0	0	112.2	L382 A383 G412	A379-L382 PolarHBondContact O-N 2.95Å; A379-A383 WeakPolarHBondContact O-CB 3.32Å; A379-A383 PolarHBondContact O-N 3.47Å; A379-G412 WeakPolarHBondContact CA-O 3.27Å; A379-G412 WeakPolarHBondContact CB-O 3.49Å; A379-G412 VanDerWaalsContact O-CA 3.27Å; A379-G412 WeakPolarHBondContact O-CA 3.37Å
380	Q	96.7	Very high	95.9	Very high	90 Å²	90	30.5 Å²	30.5	42%	0.421	17%	0.172	S	C	.	.	H	α-helix	trans	-65.3	-42.7	177.6	-164.3	-171.5	28.3	0	0	112.2	I362 F368 S378 F384	I362-Q380 HydrophobicContact CD1-CG 3.98Å; I362-Q380 HydrophobicContact CG1-CG 3.93Å; F368-Q380 HydrophobicContact CE1-CG 4.23Å; S378-Q380 PolarHBondContact O-N 3.26Å; Q380-F384 WeakPolarHBondContact O-CB 3.43Å; Q380-F384 PolarHBondContact O-N 2.69Å
381	L	97.5	Very high	95.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69	-38.4	176.7	175.3	55.2	0	0	0	111.2	I339 L341 F368 A369 L370 I377 S378 F384 L385	I339-L381 HydrophobicContact CG2-CD2 4.28Å; L341-L381 HydrophobicContact CD1-CD1 3.66Å; F368-L381 HydrophobicContact CB-CB 4.28Å; F368-L381 HydrophobicContact CB-CD1 3.89Å; F368-L381 HydrophobicContact CB-CD2 4Å; F368-L381 HydrophobicContact CB-CG 4.28Å; F368-L381 HydrophobicContact CD1-CB 3.89Å; F368-L381 HydrophobicContact CD1-CD1 4.05Å; F368-L381 HydrophobicContact CD1-CG 4.5Å; F368-L381 HydrophobicContact CD2-CD1 3.87Å; F368-L381 HydrophobicContact CE2-CD1 4.41Å; F368-L381 HydrophobicContact CG-CB 4.23Å; F368-L381 HydrophobicContact CG-CD1 3.67Å; F368-L381 HydrophobicContact CG-CG 4.37Å; A369-L381 WeakPolarHBondContact O-CD2 3.37Å; L370-L381 HydrophobicContact CD2-CD2 3.85Å; I377-L381 HydrophobicContact CB-CB 4.27Å; I377-L381 HydrophobicContact CB-CD2 3.74Å; I377-L381 HydrophobicContact CB-CG 4.02Å; I377-L381 HydrophobicContact CG2-CD2 3.47Å; I377-L381 VanDerWaalsContact CG2-CD2 3.47Å; I377-L381 HydrophobicContact CG2-CG 4.09Å; S378-L381 PolarHBondContact O-N 3.1Å; S378-L381 VanDerWaalsContact O-N 3.12Å; S378-L381 PolarHBondContact OG-N 3.34Å; L381-F384 PolarHBondContact O-N 2.8Å; L381-L385 HydrophobicContact CD1-CD1 3.96Å; L381-L385 HydrophobicContact CD1-CD2 4.45Å; L381-L385 HydrophobicContact CD1-CG 3.84Å; L381-L385 HydrophobicContact CG-CD1 4.02Å; L381-L385 HydrophobicContact CG-CG 4.36Å; L381-L385 WeakPolarHBondContact O-CB 3.44Å; L381-L385 VanDerWaalsContact O-CG 3.27Å; L381-L385 WeakPolarHBondContact O-CG 3.47Å; L381-L385 PolarHBondContact O-N 2.83Å
382	L	97.9	Very high	95.9	Very high	11 Å²	11	32.1 Å²	32.1	6%	0.058	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-49.1	173.9	177.6	59.6	0	0	0	111.5	I377 S378 A379 F384 L385 R386 L426	I377-L382 HydrophobicContact CD1-CB 4.01Å; I377-L382 HydrophobicContact CD1-CD1 4.1Å; S378-L382 PolarHBondContact O-N 3.1Å; A379-L382 PolarHBondContact O-N 2.95Å; L382-F384 VanDerWaalsContact C-N 3.33Å; L382-F384 PolarHBondContact O-N 3.46Å; L382-L385 PolarHBondContact O-N 3.45Å; L382-R386 HydrophobicContact CD1-CG 4.3Å; L382-R386 WeakPolarHBondContact O-CG 3.26Å; L382-R386 PolarHBondContact O-N 3.31Å; L382-L426 HydrophobicContact CD1-CD1 4.25Å; L382-L426 HydrophobicContact CD1-CD2 4.38Å
383	A	97.8	Very high	96	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-57.3	-46.1	175.9	0	0	0	0	0	111.8	I362 A379 L385 R386 V387 L411	I362-A383 HydrophobicContact CD1-CB 3.57Å; A379-A383 WeakPolarHBondContact O-CB 3.32Å; A379-A383 PolarHBondContact O-N 3.47Å; A383-L385 PolarHBondContact O-N 2.48Å; A383-R386 PolarHBondContact O-N 3.45Å; A383-V387 WeakPolarHBondContact O-CG2 3.35Å; A383-V387 PolarHBondContact O-N 3.29Å; A383-V387 VanDerWaalsContact O-N 3.12Å; A383-L411 WeakPolarHBondContact CA-O 3.47Å; A383-L411 HydrophobicContact CB-CB 3.72Å
384	F	98.4	Very high	96.2	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-59	-48.1	176.1	179.4	-85.7	0	0	0	112	L341 V343 L357 I362 F368 Q380 L381 L382 R386 V387 F388	L341-F384 HydrophobicContact CB-CD1 4.27Å; L341-F384 HydrophobicContact CB-CE1 3.55Å; L341-F384 HydrophobicContact CB-CZ 4Å; L341-F384 HydrophobicContact CD1-CD1 4.25Å; L341-F384 HydrophobicContact CD1-CE1 4.18Å; V343-F384 HydrophobicContact CG2-CE2 4.41Å; V343-F384 HydrophobicContact CG2-CZ 4.33Å; L357-F384 HydrophobicContact CD1-CD2 3.97Å; L357-F384 HydrophobicContact CD1-CE2 3.88Å; L357-F384 HydrophobicContact CD2-CB 4.5Å; L357-F384 HydrophobicContact CD2-CD2 3.92Å; I362-F384 HydrophobicContact CG2-CB 4.3Å; I362-F384 HydrophobicContact CG2-CD2 3.97Å; F368-F384 HydrophobicContact CE1-CB 4.09Å; F368-F384 HydrophobicContact CE1-CG 4.38Å; F368-F384 HydrophobicContact CE2-CB 4.29Å; F368-F384 AromaticContact CE2-CD1 3.91Å; F368-F384 HydrophobicContact CE2-CD1 3.91Å; F368-F384 AromaticContact CE2-CD2 3.91Å; F368-F384 HydrophobicContact CE2-CD2 3.91Å; F368-F384 HydrophobicContact CE2-CE1 4.27Å; F368-F384 HydrophobicContact CE2-CE2 4.23Å; F368-F384 AromaticContact CE2-CG 3.74Å; F368-F384 HydrophobicContact CE2-CG 3.74Å; F368-F384 HydrophobicContact CE2-CZ 4.41Å; F368-F384 HydrophobicContact CZ-CB 3.62Å; F368-F384 HydrophobicContact CZ-CD1 4.09Å; F368-F384 AromaticContact CZ-CD2 3.54Å; F368-F384 HydrophobicContact CZ-CD2 3.54Å; F368-F384 HydrophobicContact CZ-CE2 4.25Å; F368-F384 AromaticContact CZ-CG 3.45Å; F368-F384 HydrophobicContact CZ-CG 3.45Å; F368-F384 VanDerWaalsContact CZ-CG 3.45Å; Q380-F384 WeakPolarHBondContact O-CB 3.43Å; Q380-F384 PolarHBondContact O-N 2.69Å; L381-F384 PolarHBondContact O-N 2.8Å; L382-F384 VanDerWaalsContact C-N 3.33Å; L382-F384 PolarHBondContact O-N 3.46Å; F384-R386 PolarHBondContact O-N 3Å; F384-V387 PolarHBondContact O-N 3.01Å; F384-F388 HydrophobicContact CD1-CB 4.46Å; F384-F388 HydrophobicContact CE1-CB 4.18Å; F384-F388 HydrophobicContact CE1-CD2 4.26Å; F384-F388 HydrophobicContact CE1-CG 4.38Å; F384-F388 HydrophobicContact CZ-CD2 4.45Å; F384-F388 WeakPolarHBondContact O-CB 3.4Å; F384-F388 PolarHBondContact O-N 3.5Å
385	L	98.2	Very high	96.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.7	-38.4	-178.6	-75	175.1	0	0	0	112.3	L341 I377 L381 L382 A383 F388 C389 L426 F429 L430	L341-L385 HydrophobicContact CD1-CD2 3.89Å; I377-L385 HydrophobicContact CD1-CD1 4.2Å; L381-L385 HydrophobicContact CD1-CD1 3.96Å; L381-L385 HydrophobicContact CD1-CD2 4.45Å; L381-L385 HydrophobicContact CD1-CG 3.84Å; L381-L385 HydrophobicContact CG-CD1 4.02Å; L381-L385 HydrophobicContact CG-CG 4.36Å; L381-L385 WeakPolarHBondContact O-CB 3.44Å; L381-L385 VanDerWaalsContact O-CG 3.27Å; L381-L385 WeakPolarHBondContact O-CG 3.47Å; L381-L385 PolarHBondContact O-N 2.83Å; L382-L385 PolarHBondContact O-N 3.45Å; A383-L385 PolarHBondContact O-N 2.48Å; L385-F388 WeakPolarHBondContact O-CB 3.22Å; L385-F388 PolarHBondContact O-N 3.14Å; L385-C389 PolarHBondContact O-N 2.95Å; L385-L426 HydrophobicContact CB-CB 4.16Å; L385-L426 HydrophobicContact CB-CD1 4.28Å; L385-L426 HydrophobicContact CD1-CD1 4.46Å; L385-F429 HydrophobicContact CD2-CD1 3.66Å; L385-F429 HydrophobicContact CD2-CE1 3.72Å; L385-L430 HydrophobicContact CD1-CD1 4.48Å; L385-L430 HydrophobicContact CD1-CD2 4.3Å
386	R	98.3	Very high	96.8	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-58.6	-54.5	173.5	-78.3	171.7	169.6	175.5	-2	111	L382 A383 F384 F388 C389 M390 T410 L411 N413 F416 V418 N422 E423 L426	L382-R386 HydrophobicContact CD1-CG 4.3Å; L382-R386 WeakPolarHBondContact O-CG 3.26Å; L382-R386 PolarHBondContact O-N 3.31Å; A383-R386 PolarHBondContact O-N 3.45Å; F384-R386 PolarHBondContact O-N 3Å; R386-F388 VanDerWaalsContact C-N 3.29Å; R386-F388 PolarHBondContact O-N 2.94Å; R386-C389 CarbonylContact O-C 3.58Å; R386-C389 PolarHBondContact O-N 3.33Å; R386-M390 WeakPolarHBondContact O-CG 3.33Å; R386-M390 PolarHBondContact O-N 2.92Å; R386-M390 VanDerWaalsContact O-N 3.07Å; R386-T410 PolarHBondContact NH1-O 3.1Å; R386-L411 HydrophobicContact CB-CD2 4.35Å; R386-L411 VanDerWaalsContact CD-O 3.22Å; R386-L411 WeakPolarHBondContact CD-O 3.46Å; R386-L411 PolarHBondContact NH1-O 3.2Å; R386-N413 VanDerWaalsContact CZ-O 3.32Å; R386-N413 PolarHBondContact NH1-O 2.85Å; R386-N413 PolarHBondContact NH2-O 3.34Å; R386-F416 PolarHBondContact NH1-O 3.15Å; R386-F416 PolarHBondContact NH2-O 3.07Å; R386-V418 HydrophobicContact CB-CG2 3.95Å; R386-V418 HydrophobicContact CG-CG2 4.07Å; R386-N422 WeakPolarHBondContact CA-OD1 3.5Å; R386-N422 PolarHBondContact O-ND2 3.44Å; R386-E423 IonicContact CZ-OE1 3.85Å; R386-E423 VanDerWaalsContact CZ-OE1 3.23Å; R386-E423 IonicContact NE-OE1 2.81Å; R386-E423 PolarHBondContact NE-OE1 2.8Å; R386-E423 IonicContact NH2-OE1 3.23Å; R386-E423 PolarHBondContact NH2-OE1 3.38Å; R386-L426 HydrophobicContact CB-CD2 4.38Å; R386-L426 HydrophobicContact CG-CD2 3.49Å; R386-L426 VanDerWaalsContact CG-CD2 3.49Å
387	V	97.9	Very high	96.6	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-62.5	-37.9	178.3	-179.6	0	0	0	0	111.5	K353 V356 L357 A383 F384 C389 M390 L395 L411	K353-V387 HydrophobicContact CB-CG1 4.05Å; K353-V387 VanDerWaalsContact CE-O 3.23Å; K353-V387 WeakPolarHBondContact CE-O 3.4Å; K353-V387 HydrophobicContact CG-CG1 4.14Å; V356-V387 HydrophobicContact CB-CG1 4.16Å; V356-V387 HydrophobicContact CG1-CG1 4.19Å; V356-V387 HydrophobicContact CG1-CG2 3.67Å; L357-V387 HydrophobicContact CD2-CB 3.89Å; L357-V387 HydrophobicContact CD2-CG1 4.08Å; L357-V387 HydrophobicContact CD2-CG2 4.09Å; L357-V387 HydrophobicContact CG-CB 4.25Å; L357-V387 HydrophobicContact CG-CG1 3.86Å; A383-V387 WeakPolarHBondContact O-CG2 3.35Å; A383-V387 PolarHBondContact O-N 3.29Å; A383-V387 VanDerWaalsContact O-N 3.12Å; F384-V387 PolarHBondContact O-N 3.01Å; V387-C389 PolarHBondContact O-N 3.39Å; V387-M390 HydrophobicContact CB-SD 4.4Å; V387-M390 HydrophobicContact CG1-SD 4.49Å; V387-M390 HydrophobicContact CG2-CE 4.22Å; V387-M390 HydrophobicContact CG2-SD 4.2Å; V387-M390 PolarHBondContact O-N 3.43Å; V387-L395 HydrophobicContact CG1-CD2 4.2Å; V387-L411 HydrophobicContact CG2-CD1 3.95Å; V387-L411 HydrophobicContact CG2-CD2 4.19Å
388	F	97.8	Very high	96.4	Very high	48 Å²	48	33.6 Å²	33.6	21%	0.211	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-29.2	174.8	-177.2	-97.4	0	0	0	112.6	V343 K353 F384 L385 R386 F429	V343-F388 HydrophobicContact CG2-CD2 4.39Å; K353-F388 PolarHBondContact NZ-O 2.81Å; F384-F388 HydrophobicContact CD1-CB 4.46Å; F384-F388 HydrophobicContact CE1-CB 4.18Å; F384-F388 HydrophobicContact CE1-CD2 4.26Å; F384-F388 HydrophobicContact CE1-CG 4.38Å; F384-F388 HydrophobicContact CZ-CD2 4.45Å; F384-F388 WeakPolarHBondContact O-CB 3.4Å; F384-F388 PolarHBondContact O-N 3.5Å; L385-F388 WeakPolarHBondContact O-CB 3.22Å; L385-F388 PolarHBondContact O-N 3.14Å; R386-F388 VanDerWaalsContact C-N 3.29Å; R386-F388 PolarHBondContact O-N 2.94Å; F388-F429 AromaticContact CE1-CD2 3.8Å; F388-F429 HydrophobicContact CE1-CD2 3.8Å; F388-F429 HydrophobicContact CE1-CE1 4.39Å; F388-F429 AromaticContact CE1-CE2 3.62Å; F388-F429 HydrophobicContact CE1-CE2 3.62Å; F388-F429 HydrophobicContact CE1-CG 4.24Å; F388-F429 AromaticContact CE1-CZ 3.94Å; F388-F429 HydrophobicContact CE1-CZ 3.94Å; F388-F429 HydrophobicContact CZ-CE2 4.02Å; F388-F429 HydrophobicContact CZ-CZ 4.29Å
389	C	97.8	Very high	96.1	Very high	18 Å²	18	32.3 Å²	32.3	12%	0.122	17%	0.168	C	C	.	.	H	α-helix	trans	-101.5	-0.8	-179.9	-71.1	0	0	0	0	115.1	L385 R386 V387 K425 L426	L385-C389 PolarHBondContact O-N 2.95Å; R386-C389 CarbonylContact O-C 3.58Å; R386-C389 PolarHBondContact O-N 3.33Å; V387-C389 PolarHBondContact O-N 3.39Å; C389-K425 HydrophobicContact CB-CB 3.94Å; C389-L426 HydrophobicContact CB-CB 4.25Å
390	M	97.7	Very high	95.7	Very high	6 Å²	6	36 Å²	36	3%	0.03	17%	0.173	C	C	.	.			trans	-65.6	145.6	-176.8	-79.9	175.2	176.7	0	0	113.7	R386 V387 E394 L395 Y398 L411 V418 N422	R386-M390 WeakPolarHBondContact O-CG 3.33Å; R386-M390 PolarHBondContact O-N 2.92Å; R386-M390 VanDerWaalsContact O-N 3.07Å; V387-M390 HydrophobicContact CB-SD 4.4Å; V387-M390 HydrophobicContact CG1-SD 4.49Å; V387-M390 HydrophobicContact CG2-CE 4.22Å; V387-M390 HydrophobicContact CG2-SD 4.2Å; V387-M390 PolarHBondContact O-N 3.43Å; M390-E394 WeakPolarHBondContact CA-OE2 3.39Å; M390-E394 HydrophobicContact CB-CB 4.06Å; M390-E394 HydrophobicContact CG-CB 3.98Å; M390-L395 HydrophobicContact CB-CD1 4.43Å; M390-L395 HydrophobicContact CB-CD2 3.97Å; M390-L395 HydrophobicContact CB-CG 3.77Å; M390-L395 HydrophobicContact CG-CD2 4.49Å; M390-L395 HydrophobicContact SD-CD2 3.66Å; M390-L395 HydrophobicContact SD-CG 4.21Å; M390-Y398 HydrophobicContact CE-CD1 4.02Å; M390-Y398 HydrophobicContact CE-CD2 3.84Å; M390-Y398 HydrophobicContact CE-CE1 3.83Å; M390-Y398 HydrophobicContact CE-CE2 3.63Å; M390-Y398 HydrophobicContact CE-CG 4.02Å; M390-Y398 HydrophobicContact SD-CD2 4.47Å; M390-L411 HydrophobicContact CE-CD2 3.63Å; M390-V418 HydrophobicContact CE-CB 4.45Å; M390-V418 HydrophobicContact CE-CG1 3.95Å; M390-V418 HydrophobicContact CE-CG2 3.59Å; M390-V418 HydrophobicContact CG-CG1 4.41Å; M390-N422 PolarHBondContact N-ND2 2.96Å
391	T	97.6	Very high	94.8	Very high	41 Å²	41	34.6 Å²	34.6	25%	0.252	18%	0.183	S	C	.	.			trans	-78.6	174.3	166.3	79	0	0	0	0	111.7	E393 E394 L395	T391-E393 VanDerWaalsContact C-N 3.32Å; T391-E393 VanDerWaalsContact CB-OE2 3.3Å; T391-E393 WeakPolarHBondContact CB-OE2 3.39Å; T391-E393 PolarHBondContact OG1-N 2.74Å; T391-E393 PolarHBondContact OG1-OE2 3.22Å; T391-E394 PolarHBondContact N-OE2 3.46Å; T391-E394 PolarHBondContact OG1-N 3.29Å; T391-L395 WeakPolarHBondContact O-CB 3.33Å; T391-L395 WeakPolarHBondContact O-CD1 3.47Å; T391-L395 VanDerWaalsContact O-CG 3.23Å; T391-L395 WeakPolarHBondContact O-CG 3.36Å; T391-L395 PolarHBondContact O-N 2.93Å
392	E	96.8	Very high	93.4	Very high	47 Å²	47	43.3 Å²	43.3	22%	0.22	23%	0.229	C	C	.	.	H	α-helix	trans	-66.9	-36.1	177.1	-171.4	178.4	146.4	0	0	112	R348 L349 M352 L395 K396	R348-E392 IonicContact CZ-OE2 3.67Å; R348-E392 VanDerWaalsContact CZ-OE2 3.28Å; R348-E392 IonicContact NH1-OE2 3.91Å; R348-E392 PolarHBondContact NH1-OE2 2.95Å; R348-E392 IonicContact NH2-OE2 2.78Å; R348-E392 PolarHBondContact NH2-OE2 3.43Å; L349-E392 HydrophobicContact CD1-CB 4.36Å; L349-E392 HydrophobicContact CD2-CB 3.99Å; L349-E392 HydrophobicContact CD2-CG 3.95Å; M352-E392 HydrophobicContact CE-CG 4.24Å; M352-E392 HydrophobicContact SD-CG 4.22Å; E392-L395 PolarHBondContact O-N 3.46Å; E392-K396 VanDerWaalsContact O-CG 3.32Å; E392-K396 WeakPolarHBondContact O-CG 3.42Å; E392-K396 PolarHBondContact O-N 3.49Å; E392-K396 WeakPolarHBondContact OE1-CE 3.4Å; E392-K396 IonicContact OE1-NZ 3.09Å; E392-K396 PolarHBondContact OE1-NZ 3.4Å
393	E	95	Very high	92.2	Very high	117 Å²	117	44.4 Å²	44.4	55%	0.547	24%	0.243	S	C	.	.	H	α-helix	trans	-66.3	-48.8	176.7	-58.8	71.3	-154.6	0	0	110.4	T391 L395 K396 D397	T391-E393 VanDerWaalsContact C-N 3.32Å; T391-E393 VanDerWaalsContact CB-OE2 3.3Å; T391-E393 WeakPolarHBondContact CB-OE2 3.39Å; T391-E393 PolarHBondContact OG1-N 2.74Å; T391-E393 PolarHBondContact OG1-OE2 3.22Å; E393-L395 VanDerWaalsContact C-N 3.31Å; E393-L395 PolarHBondContact O-N 2.87Å; E393-K396 WeakPolarHBondContact O-CB 3.43Å; E393-K396 PolarHBondContact O-N 3.22Å; E393-K396 VanDerWaalsContact O-N 3.13Å; E393-D397 PolarHBondContact O-N 2.67Å; E393-D397 VanDerWaalsContact O-N 3.11Å
394	E	95.4	Very high	91.3	Very high	27 Å²	27	44.7 Å²	44.7	13%	0.126	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-43.7	174.5	-67.9	173.1	151.8	0	0	110.7	M390 T391 K396 D397 Y398 V418 S419	M390-E394 WeakPolarHBondContact CA-OE2 3.39Å; M390-E394 HydrophobicContact CB-CB 4.06Å; M390-E394 HydrophobicContact CG-CB 3.98Å; T391-E394 PolarHBondContact N-OE2 3.46Å; T391-E394 PolarHBondContact OG1-N 3.29Å; E394-K396 VanDerWaalsContact C-N 3.34Å; E394-K396 PolarHBondContact O-N 3.44Å; E394-D397 WeakPolarHBondContact O-CB 3.4Å; E394-D397 PolarHBondContact O-N 3.16Å; E394-Y398 WeakPolarHBondContact O-CD2 3.31Å; E394-Y398 PolarHBondContact O-N 3.25Å; E394-V418 HydrophobicContact CB-CG1 4.23Å; E394-V418 HydrophobicContact CG-CG1 4.06Å; E394-S419 WeakPolarHBondContact OE1-CB 3.48Å; E394-S419 PolarHBondContact OE1-OG 3.05Å
395	L	95.7	Very high	90.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-37.1	176.9	-71.2	163.4	0	0	0	112.6	L349 M352 K353 V356 V387 M390 T391 E392 E393 D397 Y398 L399	L349-L395 HydrophobicContact CB-CD1 4.07Å; L349-L395 HydrophobicContact CD1-CD1 4.04Å; L349-L395 HydrophobicContact CG-CD1 4.46Å; M352-L395 HydrophobicContact CB-CB 4.28Å; M352-L395 HydrophobicContact CB-CD1 3.92Å; M352-L395 HydrophobicContact CB-CG 4.49Å; M352-L395 HydrophobicContact CE-CB 3.62Å; K353-L395 HydrophobicContact CG-CD1 3.79Å; K353-L395 HydrophobicContact CG-CD2 3.97Å; V356-L395 HydrophobicContact CB-CD2 4.46Å; V356-L395 HydrophobicContact CG2-CD2 3.9Å; V387-L395 HydrophobicContact CG1-CD2 4.2Å; M390-L395 HydrophobicContact CB-CD1 4.43Å; M390-L395 HydrophobicContact CB-CD2 3.97Å; M390-L395 HydrophobicContact CB-CG 3.77Å; M390-L395 HydrophobicContact CG-CD2 4.49Å; M390-L395 HydrophobicContact SD-CD2 3.66Å; M390-L395 HydrophobicContact SD-CG 4.21Å; T391-L395 WeakPolarHBondContact O-CB 3.33Å; T391-L395 WeakPolarHBondContact O-CD1 3.47Å; T391-L395 VanDerWaalsContact O-CG 3.23Å; T391-L395 WeakPolarHBondContact O-CG 3.36Å; T391-L395 PolarHBondContact O-N 2.93Å; E392-L395 PolarHBondContact O-N 3.46Å; E393-L395 VanDerWaalsContact C-N 3.31Å; E393-L395 PolarHBondContact O-N 2.87Å; L395-D397 VanDerWaalsContact C-N 3.29Å; L395-D397 PolarHBondContact O-N 3.42Å; L395-Y398 PolarHBondContact O-N 3.36Å; L395-L399 WeakPolarHBondContact O-CB 3.5Å; L395-L399 VanDerWaalsContact O-CG 3.24Å; L395-L399 WeakPolarHBondContact O-CG 3.39Å; L395-L399 PolarHBondContact O-N 2.89Å; L395-L399 VanDerWaalsContact O-N 3.07Å
396	K	93.9	Very high	89.4	Confident	85 Å²	85	53.4 Å²	53.4	37%	0.37	29%	0.291	S	S	.	.	H	α-helix	trans	-61.1	-40.9	176.5	-78.6	168.4	-174.6	161.7	0	111.1	M352 E392 E393 E394 Y398 L399 F400	M352-K396 HydrophobicContact CE-CG 3.79Å; E392-K396 VanDerWaalsContact O-CG 3.32Å; E392-K396 WeakPolarHBondContact O-CG 3.42Å; E392-K396 PolarHBondContact O-N 3.49Å; E392-K396 WeakPolarHBondContact OE1-CE 3.4Å; E392-K396 IonicContact OE1-NZ 3.09Å; E392-K396 PolarHBondContact OE1-NZ 3.4Å; E393-K396 WeakPolarHBondContact O-CB 3.43Å; E393-K396 PolarHBondContact O-N 3.22Å; E393-K396 VanDerWaalsContact O-N 3.13Å; E394-K396 VanDerWaalsContact C-N 3.34Å; E394-K396 PolarHBondContact O-N 3.44Å; K396-Y398 PolarHBondContact O-N 3.49Å; K396-L399 PolarHBondContact O-N 3.1Å; K396-L399 VanDerWaalsContact O-N 3.12Å; K396-F400 HydrophobicContact CB-CD2 4.09Å; K396-F400 HydrophobicContact CG-CD2 4.12Å; K396-F400 HydrophobicContact CG-CE2 4.18Å; K396-F400 WeakPolarHBondContact O-CB 3.18Å; K396-F400 WeakPolarHBondContact O-CD2 3.11Å; K396-F400 PolarHBondContact O-N 3.11Å
397	D	90.3	Very high	88.7	Confident	87 Å²	87	57.1 Å²	57.1	47%	0.465	31%	0.307	S	S	.	.	H	α-helix	trans	-64.5	-23.5	178.4	-77.2	5.3	0	0	0	114.1	E393 E394 L395 K407	E393-D397 PolarHBondContact O-N 2.67Å; E393-D397 VanDerWaalsContact O-N 3.11Å; E394-D397 WeakPolarHBondContact O-CB 3.4Å; E394-D397 PolarHBondContact O-N 3.16Å; L395-D397 VanDerWaalsContact C-N 3.29Å; L395-D397 PolarHBondContact O-N 3.42Å; D397-K407 IonicContact OD2-NZ 2.78Å
398	Y	91.3	Very high	88.3	Confident	17 Å²	17	58.1 Å²	58.1	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-96.1	-12.6	177	-76.9	-109.4	0	0	0	112.6	M390 E394 L395 K396 K407 I408 L411 V418	M390-Y398 HydrophobicContact CE-CD1 4.02Å; M390-Y398 HydrophobicContact CE-CD2 3.84Å; M390-Y398 HydrophobicContact CE-CE1 3.83Å; M390-Y398 HydrophobicContact CE-CE2 3.63Å; M390-Y398 HydrophobicContact CE-CG 4.02Å; M390-Y398 HydrophobicContact SD-CD2 4.47Å; E394-Y398 WeakPolarHBondContact O-CD2 3.31Å; E394-Y398 PolarHBondContact O-N 3.25Å; L395-Y398 PolarHBondContact O-N 3.36Å; K396-Y398 PolarHBondContact O-N 3.49Å; Y398-K407 HydrophobicContact CD1-CB 3.87Å; Y398-K407 HydrophobicContact CD2-CD 4.44Å; Y398-K407 HydrophobicContact CE1-CB 3.62Å; Y398-K407 VanDerWaalsContact CE1-O 3.31Å; Y398-K407 WeakPolarHBondContact CE1-O 3.5Å; Y398-K407 HydrophobicContact CE2-CD 4.28Å; Y398-K407 HydrophobicContact CG-CB 4.42Å; Y398-I408 HydrophobicContact CD1-CG1 4.23Å; Y398-L411 HydrophobicContact CD1-CD1 4.25Å; Y398-L411 HydrophobicContact CD1-CD2 4.09Å; Y398-L411 HydrophobicContact CD1-CG 4.22Å; Y398-L411 HydrophobicContact CE1-CD1 4.26Å; Y398-L411 HydrophobicContact CE1-CD2 3.41Å; Y398-L411 VanDerWaalsContact CE1-CD2 3.41Å; Y398-L411 HydrophobicContact CE1-CG 3.73Å; Y398-V418 HydrophobicContact CE2-CG1 4.05Å
399	L	90.9	Very high	87.7	Confident	16 Å²	16	62.2 Å²	62.2	8%	0.084	33%	0.33	C	S	.	.	H	α-helix	trans	-101.9	-33.1	179.2	-71.6	173.5	0	0	0	112.8	M352 E355 V356 R359 L395 K396	M352-L399 HydrophobicContact CB-CD1 3.84Å; M352-L399 HydrophobicContact CE-CD1 3.8Å; M352-L399 HydrophobicContact CG-CD1 3.91Å; E355-L399 HydrophobicContact CB-CD2 4Å; E355-L399 HydrophobicContact CG-CD2 3.43Å; E355-L399 VanDerWaalsContact CG-CD2 3.43Å; V356-L399 HydrophobicContact CG2-CD1 4.34Å; V356-L399 HydrophobicContact CG2-CD2 3.62Å; V356-L399 HydrophobicContact CG2-CG 3.72Å; R359-L399 PolarHBondContact NH1-O 3.39Å; R359-L399 VanDerWaalsContact NH1-O 3.16Å; L395-L399 WeakPolarHBondContact O-CB 3.5Å; L395-L399 VanDerWaalsContact O-CG 3.24Å; L395-L399 WeakPolarHBondContact O-CG 3.39Å; L395-L399 PolarHBondContact O-N 2.89Å; L395-L399 VanDerWaalsContact O-N 3.07Å; K396-L399 PolarHBondContact O-N 3.1Å; K396-L399 VanDerWaalsContact O-N 3.12Å
400	F	87.7	Confident	87.4	Confident	138 Å²	138	61.9 Å²	61.9	61%	0.605	33%	0.327	S	S	*	.	S	Bend	trans	-130.9	143.6	-169.9	-50	-70.8	0	0	0	111.1	K396	K396-F400 HydrophobicContact CB-CD2 4.09Å; K396-F400 HydrophobicContact CG-CD2 4.12Å; K396-F400 HydrophobicContact CG-CE2 4.18Å; K396-F400 WeakPolarHBondContact O-CB 3.18Å; K396-F400 WeakPolarHBondContact O-CD2 3.11Å; K396-F400 PolarHBondContact O-N 3.11Å
401	G	76.4	Confident	87.2	Confident	61 Å²	61	61.7 Å²	61.7	63%	0.629	33%	0.327	S	S	*	.	S	Bend	trans	106.9	159.9	175.1	0	0	0	0	0	114.7	G403 A404	G401-G403 PolarHBondContact O-N 3.49Å; G401-A404 PolarHBondContact O-N 2.99Å
402	D	68.9	Low	87	Confident	183 Å²	183	60.8 Å²	60.8	98%	0.979	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	123.1	175.5	-64.4	-26.8	0	0	0	109
403	G	72.9	Confident	86.9	Confident	34 Å²	34	60.1 Å²	60.1	35%	0.351	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.4	1.7	-176.4	0	0	0	0	0	116.2	G401 I405 N406 K407	G401-G403 PolarHBondContact O-N 3.49Å; G403-I405 PolarHBondContact O-N 3.43Å; G403-N406 PolarHBondContact O-N 3.06Å; G403-N406 VanDerWaalsContact O-N 3.13Å; G403-K407 PolarHBondContact O-N 3.43Å; G403-K407 VanDerWaalsContact O-N 3.15Å
404	A	77.9	Confident	86.7	Confident	10 Å²	10	58.8 Å²	58.8	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-56.5	-36.1	175.6	0	0	0	0	0	113	G401 K407 I408	G401-A404 PolarHBondContact O-N 2.99Å; A404-K407 PolarHBondContact O-N 3.04Å; A404-I408 WeakPolarHBondContact O-CG1 3.35Å; A404-I408 PolarHBondContact O-N 3.5Å
405	I	78.6	Confident	86.6	Confident	136 Å²	136	63.6 Å²	63.6	70%	0.697	35%	0.349	S	S	*	.	H	α-helix	trans	-65.8	-44.4	176.9	-63.1	173.7	0	0	0	111	G403 K407 I408 F409	G403-I405 PolarHBondContact O-N 3.43Å; I405-K407 VanDerWaalsContact C-N 3.3Å; I405-K407 PolarHBondContact O-N 3.23Å; I405-I408 WeakPolarHBondContact O-CB 3.33Å; I405-I408 PolarHBondContact O-N 2.85Å; I405-I408 VanDerWaalsContact O-N 3.13Å; I405-F409 PolarHBondContact O-N 2.87Å
406	N	79.4	Confident	86.5	Confident	48 Å²	48	64.9 Å²	64.9	26%	0.257	36%	0.355	S	S	.	.	H	α-helix	trans	-61.6	-40.3	179.1	-66.1	-8.7	0	0	0	110.9	G403 I408 F409 T410 F502 E504	G403-N406 PolarHBondContact O-N 3.06Å; G403-N406 VanDerWaalsContact O-N 3.13Å; N406-I408 VanDerWaalsContact C-N 3.34Å; N406-I408 PolarHBondContact O-N 3.29Å; N406-F409 WeakPolarHBondContact O-CB 3.2Å; N406-F409 PolarHBondContact O-N 3.36Å; N406-T410 PolarHBondContact O-N 3.5Å; N406-F502 HydrophobicContact CB-CE1 4.35Å; N406-E504 PolarHBondContact ND2-OE1 3.01Å; N406-E504 VanDerWaalsContact ND2-OE1 3.09Å
407	K	83.6	Confident	86.5	Confident	80 Å²	80	61.5 Å²	61.5	35%	0.348	34%	0.342	S	S	.	.	H	α-helix	trans	-63.9	-35.7	175.5	-68	-176.3	178.8	178.9	0	113.1	D397 Y398 G403 A404 I405 F409 T410 L411	D397-K407 IonicContact OD2-NZ 2.78Å; Y398-K407 HydrophobicContact CD1-CB 3.87Å; Y398-K407 HydrophobicContact CD2-CD 4.44Å; Y398-K407 HydrophobicContact CE1-CB 3.62Å; Y398-K407 VanDerWaalsContact CE1-O 3.31Å; Y398-K407 WeakPolarHBondContact CE1-O 3.5Å; Y398-K407 HydrophobicContact CE2-CD 4.28Å; Y398-K407 HydrophobicContact CG-CB 4.42Å; G403-K407 PolarHBondContact O-N 3.43Å; G403-K407 VanDerWaalsContact O-N 3.15Å; A404-K407 PolarHBondContact O-N 3.04Å; I405-K407 VanDerWaalsContact C-N 3.3Å; I405-K407 PolarHBondContact O-N 3.23Å; K407-F409 VanDerWaalsContact C-N 3.28Å; K407-F409 PolarHBondContact O-N 3.45Å; K407-T410 PolarHBondContact O-N 2.85Å; K407-T410 PolarHBondContact O-OG1 3.12Å; K407-L411 PolarHBondContact O-N 2.58Å
408	I	88.4	Confident	86.8	Confident	22 Å²	22	58.3 Å²	58.3	11%	0.113	33%	0.325	C	S	.	.	H	α-helix	trans	-63.2	-38.6	175.8	-70.2	164.3	0	0	0	110.5	R359 A360 Y398 A404 I405 N406 T410 L411	R359-I408 HydrophobicContact CB-CD1 3.74Å; R359-I408 HydrophobicContact CG-CD1 4.44Å; A360-I408 HydrophobicContact CB-CG2 3.94Å; Y398-I408 HydrophobicContact CD1-CG1 4.23Å; A404-I408 WeakPolarHBondContact O-CG1 3.35Å; A404-I408 PolarHBondContact O-N 3.5Å; I405-I408 WeakPolarHBondContact O-CB 3.33Å; I405-I408 PolarHBondContact O-N 2.85Å; I405-I408 VanDerWaalsContact O-N 3.13Å; N406-I408 VanDerWaalsContact C-N 3.34Å; N406-I408 PolarHBondContact O-N 3.29Å; I408-T410 VanDerWaalsContact C-N 3.27Å; I408-T410 PolarHBondContact O-N 3.25Å; I408-L411 HydrophobicContact CG2-CD1 4.43Å; I408-L411 WeakPolarHBondContact O-CB 3.24Å; I408-L411 PolarHBondContact O-N 3.49Å
409	F	86.3	Confident	87	Confident	133 Å²	133	58.1 Å²	58.1	58%	0.583	33%	0.326	S	S	*	.	H	α-helix	trans	-62.6	-33.5	178.9	-163.3	-90.6	0	0	0	112.7	I405 N406 K407 L510	I405-F409 PolarHBondContact O-N 2.87Å; N406-F409 WeakPolarHBondContact O-CB 3.2Å; N406-F409 PolarHBondContact O-N 3.36Å; K407-F409 VanDerWaalsContact C-N 3.28Å; K407-F409 PolarHBondContact O-N 3.45Å; F409-L510 HydrophobicContact CD1-CD1 4.01Å; F409-L510 HydrophobicContact CE1-CB 4.39Å; F409-L510 HydrophobicContact CE1-CD1 3.6Å; F409-L510 HydrophobicContact CE1-CD2 4.23Å; F409-L510 HydrophobicContact CE1-CG 4.28Å
410	T	90.3	Very high	87.4	Confident	12 Å²	12	58.5 Å²	58.5	7%	0.074	33%	0.327	C	S	.	.	H	α-helix	trans	-85.1	-5.4	-178.9	61.2	0	0	0	0	114	R386 N406 K407 I408 G412 N413 F416 F502	R386-T410 PolarHBondContact NH1-O 3.1Å; N406-T410 PolarHBondContact O-N 3.5Å; K407-T410 PolarHBondContact O-N 2.85Å; K407-T410 PolarHBondContact O-OG1 3.12Å; I408-T410 VanDerWaalsContact C-N 3.27Å; I408-T410 PolarHBondContact O-N 3.25Å; T410-G412 PolarHBondContact O-N 3.5Å; T410-G412 VanDerWaalsContact O-N 3.13Å; T410-N413 PolarHBondContact O-N 3.08Å; T410-F416 HydrophobicContact CG2-CB 4.37Å; T410-F416 HydrophobicContact CG2-CD2 4.22Å; T410-F416 HydrophobicContact CG2-CG 4.36Å; T410-F502 HydrophobicContact CG2-CB 4.17Å; T410-F502 HydrophobicContact CG2-CD1 4.21Å; T410-F502 HydrophobicContact CG2-CD2 3.49Å; T410-F502 VanDerWaalsContact CG2-CD2 3.49Å; T410-F502 HydrophobicContact CG2-CE2 3.84Å; T410-F502 HydrophobicContact CG2-CG 3.69Å; T410-F502 HydrophobicContact CG2-CZ 4.33Å
411	L	94.1	Very high	87.9	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.3	-177.6	-80.6	173.6	0	0	0	113.4	V356 A360 A383 R386 V387 M390 Y398 K407 I408 V418	V356-L411 HydrophobicContact CG1-CD1 4.05Å; A360-L411 HydrophobicContact CB-CD1 4.35Å; A383-L411 WeakPolarHBondContact CA-O 3.47Å; A383-L411 HydrophobicContact CB-CB 3.72Å; R386-L411 HydrophobicContact CB-CD2 4.35Å; R386-L411 VanDerWaalsContact CD-O 3.22Å; R386-L411 WeakPolarHBondContact CD-O 3.46Å; R386-L411 PolarHBondContact NH1-O 3.2Å; V387-L411 HydrophobicContact CG2-CD1 3.95Å; V387-L411 HydrophobicContact CG2-CD2 4.19Å; M390-L411 HydrophobicContact CE-CD2 3.63Å; Y398-L411 HydrophobicContact CD1-CD1 4.25Å; Y398-L411 HydrophobicContact CD1-CD2 4.09Å; Y398-L411 HydrophobicContact CD1-CG 4.22Å; Y398-L411 HydrophobicContact CE1-CD1 4.26Å; Y398-L411 HydrophobicContact CE1-CD2 3.41Å; Y398-L411 VanDerWaalsContact CE1-CD2 3.41Å; Y398-L411 HydrophobicContact CE1-CG 3.73Å; K407-L411 PolarHBondContact O-N 2.58Å; I408-L411 HydrophobicContact CG2-CD1 4.43Å; I408-L411 WeakPolarHBondContact O-CB 3.24Å; I408-L411 PolarHBondContact O-N 3.49Å; L411-V418 HydrophobicContact CD2-CG2 4.27Å
412	G	94.3	Very high	88.9	Confident	21 Å²	21	53.2 Å²	53.2	22%	0.216	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.5	178.1	0	0	0	0	0	114.8	A379 T410	A379-G412 WeakPolarHBondContact CA-O 3.27Å; A379-G412 WeakPolarHBondContact CB-O 3.49Å; A379-G412 VanDerWaalsContact O-CA 3.27Å; A379-G412 WeakPolarHBondContact O-CA 3.37Å; T410-G412 PolarHBondContact O-N 3.5Å; T410-G412 VanDerWaalsContact O-N 3.13Å
413	N	93.8	Very high	90.3	Very high	34 Å²	34	44.6 Å²	44.6	18%	0.182	24%	0.241	C	C	.	.			trans	-92.1	123	-175	-172.4	-27.6	0	0	0	111.3	R386 T410 E415 F416	R386-N413 VanDerWaalsContact CZ-O 3.32Å; R386-N413 PolarHBondContact NH1-O 2.85Å; R386-N413 PolarHBondContact NH2-O 3.34Å; T410-N413 PolarHBondContact O-N 3.08Å; N413-E415 PolarHBondContact O-N 2.88Å; N413-E415 WeakPolarHBondContact OD1-CB 3.23Å; N413-E415 PolarHBondContact OD1-N 3.36Å; N413-F416 HydrophobicContact CB-CD2 4.05Å; N413-F416 WeakPolarHBondContact ND2-CD2 3.26Å; N413-F416 PolarHBondContact O-N 3.15Å
414	S	91.6	Very high	91.5	Very high	89 Å²	89	44.1 Å²	44.1	62%	0.622	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.8	-179.3	65.6	0	0	0	0	115
415	E	91.9	Very high	92.5	Very high	128 Å²	128	48 Å²	48	60%	0.598	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-23.5	-179.6	-60.6	-177	161.7	0	0	112.9	N413 P417 P500	N413-E415 PolarHBondContact O-N 2.88Å; N413-E415 WeakPolarHBondContact OD1-CB 3.23Å; N413-E415 PolarHBondContact OD1-N 3.36Å; E415-P417 VanDerWaalsContact C-CD 3.48Å; E415-P417 WeakPolarHBondContact O-CD 3.41Å; E415-P500 WeakPolarHBondContact O-CB 3.33Å; E415-P500 WeakPolarHBondContact O-CG 3.5Å
416	F	93.4	Very high	93.4	Very high	26 Å²	26	41.6 Å²	41.6	11%	0.114	21%	0.212	C	C	.	.	S	Bend	trans	-116.2	79.1	-175.6	-57.8	-71.4	0	0	0	110.9	R386 T410 N413 P500 F502	R386-F416 PolarHBondContact NH1-O 3.15Å; R386-F416 PolarHBondContact NH2-O 3.07Å; T410-F416 HydrophobicContact CG2-CB 4.37Å; T410-F416 HydrophobicContact CG2-CD2 4.22Å; T410-F416 HydrophobicContact CG2-CG 4.36Å; N413-F416 HydrophobicContact CB-CD2 4.05Å; N413-F416 WeakPolarHBondContact ND2-CD2 3.26Å; N413-F416 PolarHBondContact O-N 3.15Å; F416-P500 HydrophobicContact CD1-CB 4.21Å; F416-F502 HydrophobicContact CD1-CB 4.05Å; F416-F502 HydrophobicContact CD2-CD2 4.28Å; F416-F502 HydrophobicContact CE1-CB 4.08Å; F416-F502 HydrophobicContact CE1-CD2 4.2Å; F416-F502 AromaticContact CE2-CD2 3.95Å; F416-F502 HydrophobicContact CE2-CD2 3.95Å; F416-F502 AromaticContact CZ-CD2 3.9Å; F416-F502 HydrophobicContact CZ-CD2 3.9Å
417	P	95.3	Very high	94.3	Very high	15 Å²	15	39.8 Å²	39.8	10%	0.097	20%	0.202	C	C	.	.			trans	-69.1	152.4	177	30.2	-35.5	0	0	0	112.2	E415 W420 E423 L499	E415-P417 VanDerWaalsContact C-CD 3.48Å; E415-P417 WeakPolarHBondContact O-CD 3.41Å; P417-W420 HydrophobicContact CB-CZ3 4.43Å; P417-W420 HydrophobicContact CG-CE3 4.16Å; P417-W420 HydrophobicContact CG-CH2 4.07Å; P417-W420 HydrophobicContact CG-CZ3 3.63Å; P417-E423 HydrophobicContact CB-CG 3.54Å; P417-L499 HydrophobicContact CG-CD2 3.81Å
418	V	95.3	Very high	95	Very high	20 Å²	20	37.8 Å²	37.8	12%	0.121	20%	0.197	C	C	.	.	S	Bend	trans	-63.5	-51.3	173.3	-178.6	0	0	0	0	110.3	R386 M390 E394 Y398 L411 N422	R386-V418 HydrophobicContact CB-CG2 3.95Å; R386-V418 HydrophobicContact CG-CG2 4.07Å; M390-V418 HydrophobicContact CE-CB 4.45Å; M390-V418 HydrophobicContact CE-CG1 3.95Å; M390-V418 HydrophobicContact CE-CG2 3.59Å; M390-V418 HydrophobicContact CG-CG1 4.41Å; E394-V418 HydrophobicContact CB-CG1 4.23Å; E394-V418 HydrophobicContact CG-CG1 4.06Å; Y398-V418 HydrophobicContact CE2-CG1 4.05Å; L411-V418 HydrophobicContact CD2-CG2 4.27Å; V418-N422 HydrophobicContact CB-CB 4Å; V418-N422 HydrophobicContact CG1-CB 4.37Å
419	S	96.7	Very high	95.5	Very high	13 Å²	13	38.8 Å²	38.8	9%	0.091	20%	0.2	C	C	.	.			trans	-162.6	161.4	175.6	65.2	0	0	0	0	108.2	E394 E421 N422 E423	E394-S419 WeakPolarHBondContact OE1-CB 3.48Å; E394-S419 PolarHBondContact OE1-OG 3.05Å; S419-E421 VanDerWaalsContact C-N 3.29Å; S419-E421 PolarHBondContact O-N 3.23Å; S419-N422 PolarHBondContact O-N 3.3Å; S419-N422 WeakPolarHBondContact OG-CB 3.24Å; S419-N422 PolarHBondContact OG-N 3.27Å; S419-E423 PolarHBondContact O-N 2.82Å; S419-E423 VanDerWaalsContact O-N 3.15Å
420	W	97.8	Very high	96	Very high	24 Å²	24	32.4 Å²	32.4	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-38.1	175.2	-56.6	131	0	0	0	111.2	P417 N422 E423 I424 F489 K492 L493 A497 L499 P500	P417-W420 HydrophobicContact CB-CZ3 4.43Å; P417-W420 HydrophobicContact CG-CE3 4.16Å; P417-W420 HydrophobicContact CG-CH2 4.07Å; P417-W420 HydrophobicContact CG-CZ3 3.63Å; W420-N422 PolarHBondContact O-N 2.9Å; W420-E423 PolarHBondContact O-N 3.48Å; W420-I424 WeakPolarHBondContact O-CD1 3.35Å; W420-I424 WeakPolarHBondContact O-CG1 3.33Å; W420-I424 PolarHBondContact O-N 2.85Å; W420-F489 AromaticContact CE3-CD1 3.63Å; W420-F489 HydrophobicContact CE3-CD1 3.63Å; W420-F489 HydrophobicContact CE3-CE1 4.14Å; W420-F489 AromaticContact CZ3-CD1 3.75Å; W420-F489 HydrophobicContact CZ3-CD1 3.75Å; W420-F489 AromaticContact CZ3-CE1 3.83Å; W420-F489 HydrophobicContact CZ3-CE1 3.83Å; W420-K492 HydrophobicContact CD2-CB 4.11Å; W420-K492 HydrophobicContact CE3-CB 4.28Å; W420-L493 HydrophobicContact CB-CB 3.98Å; W420-L493 HydrophobicContact CB-CD1 4.21Å; W420-A497 HydrophobicContact CZ2-CB 4.38Å; W420-A497 PolarHBondContact NE1-O 2.8Å; W420-L499 HydrophobicContact CD2-CD2 3.84Å; W420-L499 HydrophobicContact CE3-CD2 4.22Å; W420-L499 HydrophobicContact CG-CD2 4.31Å; W420-L499 HydrophobicContact CH2-CD2 4.26Å; W420-L499 HydrophobicContact CZ2-CD2 3.88Å; W420-L499 HydrophobicContact CZ2-CG 4.41Å; W420-L499 HydrophobicContact CZ3-CD2 4.42Å; W420-P500 HydrophobicContact CH2-CG 4.49Å
421	E	98.2	Very high	96.4	Very high	87 Å²	87	32.5 Å²	32.5	41%	0.407	17%	0.172	S	C	.	.	H	α-helix	trans	-63	-39.2	175.7	-69	82.6	171.9	0	0	112.6	S419 I424 K425 L493	S419-E421 VanDerWaalsContact C-N 3.29Å; S419-E421 PolarHBondContact O-N 3.23Å; E421-I424 PolarHBondContact O-N 2.74Å; E421-K425 VanDerWaalsContact O-CG 3.26Å; E421-K425 WeakPolarHBondContact O-CG 3.13Å; E421-K425 PolarHBondContact O-N 3.19Å; E421-L493 HydrophobicContact CG-CD2 4.04Å; E421-L493 WeakPolarHBondContact OE1-CD1 3.35Å
422	N	98.3	Very high	96.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-46.8	176.1	-174.3	-85.3	0	0	0	110.9	R386 M390 V418 S419 W420 I424 K425 L426	R386-N422 WeakPolarHBondContact CA-OD1 3.5Å; R386-N422 PolarHBondContact O-ND2 3.44Å; M390-N422 PolarHBondContact N-ND2 2.96Å; V418-N422 HydrophobicContact CB-CB 4Å; V418-N422 HydrophobicContact CG1-CB 4.37Å; S419-N422 PolarHBondContact O-N 3.3Å; S419-N422 WeakPolarHBondContact OG-CB 3.24Å; S419-N422 PolarHBondContact OG-N 3.27Å; W420-N422 PolarHBondContact O-N 2.9Å; N422-I424 PolarHBondContact O-N 3.44Å; N422-K425 PolarHBondContact O-N 3.34Å; N422-L426 PolarHBondContact O-N 3.46Å
423	E	98.1	Very high	96.7	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-60.7	-44.4	175.8	-69.9	-67.2	155.2	0	0	111.6	R386 P417 S419 W420 K425 L426 W427 F489	R386-E423 IonicContact CZ-OE1 3.85Å; R386-E423 VanDerWaalsContact CZ-OE1 3.23Å; R386-E423 IonicContact NE-OE1 2.81Å; R386-E423 PolarHBondContact NE-OE1 2.8Å; R386-E423 IonicContact NH2-OE1 3.23Å; R386-E423 PolarHBondContact NH2-OE1 3.38Å; P417-E423 HydrophobicContact CB-CG 3.54Å; S419-E423 PolarHBondContact O-N 2.82Å; S419-E423 VanDerWaalsContact O-N 3.15Å; W420-E423 PolarHBondContact O-N 3.48Å; E423-K425 VanDerWaalsContact C-N 3.33Å; E423-K425 PolarHBondContact O-N 2.89Å; E423-L426 WeakPolarHBondContact O-CG 3.37Å; E423-L426 PolarHBondContact O-N 3.29Å; E423-W427 WeakPolarHBondContact O-CB 3.46Å; E423-W427 PolarHBondContact O-N 3.49Å; E423-W427 PolarHBondContact OE2-NE1 3.31Å; E423-F489 HydrophobicContact CB-CB 4.15Å; E423-F489 HydrophobicContact CB-CD1 4.09Å; E423-F489 HydrophobicContact CB-CD2 3.59Å; E423-F489 HydrophobicContact CB-CE1 4.38Å; E423-F489 HydrophobicContact CB-CE2 3.93Å; E423-F489 HydrophobicContact CB-CG 3.68Å; E423-F489 HydrophobicContact CB-CZ 4.3Å; E423-F489 HydrophobicContact CG-CD1 4.37Å; E423-F489 HydrophobicContact CG-CD2 4.35Å; E423-F489 HydrophobicContact CG-CE1 4.25Å; E423-F489 HydrophobicContact CG-CE2 4.24Å; E423-F489 HydrophobicContact CG-CG 4.41Å; E423-F489 HydrophobicContact CG-CZ 4.17Å
424	I	98.5	Very high	96.8	Very high	23 Å²	23	38.1 Å²	38.1	12%	0.118	19%	0.191	C	C	.	.	H	α-helix	trans	-59.1	-45.1	176.4	-66.6	163.1	0	0	0	110.9	W420 E421 N422 T428 R486 F489 Q490 L493	W420-I424 WeakPolarHBondContact O-CD1 3.35Å; W420-I424 WeakPolarHBondContact O-CG1 3.33Å; W420-I424 PolarHBondContact O-N 2.85Å; E421-I424 PolarHBondContact O-N 2.74Å; N422-I424 PolarHBondContact O-N 3.44Å; I424-T428 VanDerWaalsContact O-CB 3.24Å; I424-T428 WeakPolarHBondContact O-CB 3.35Å; I424-T428 PolarHBondContact O-N 2.96Å; I424-T428 PolarHBondContact O-OG1 2.91Å; I424-R486 HydrophobicContact CG2-CG 4.19Å; I424-F489 HydrophobicContact CG1-CB 3.76Å; I424-Q490 HydrophobicContact CD1-CB 4.4Å; I424-Q490 HydrophobicContact CD1-CG 3.8Å; I424-Q490 HydrophobicContact CG1-CG 3.9Å; I424-Q490 HydrophobicContact CG2-CG 4.03Å; I424-L493 HydrophobicContact CD1-CB 4.19Å; I424-L493 HydrophobicContact CD1-CD2 3.71Å
425	K	98.5	Very high	97.1	Very high	93 Å²	93	35.4 Å²	35.4	40%	0.404	17%	0.174	S	C	.	.	H	α-helix	trans	-63.3	-46.5	179.2	-74.1	168.7	-172.5	168	0	111.8	C389 E421 N422 E423 T428 F429	C389-K425 HydrophobicContact CB-CB 3.94Å; E421-K425 VanDerWaalsContact O-CG 3.26Å; E421-K425 WeakPolarHBondContact O-CG 3.13Å; E421-K425 PolarHBondContact O-N 3.19Å; N422-K425 PolarHBondContact O-N 3.34Å; E423-K425 VanDerWaalsContact C-N 3.33Å; E423-K425 PolarHBondContact O-N 2.89Å; K425-T428 PolarHBondContact O-N 3.49Å; K425-F429 WeakPolarHBondContact O-CB 3.32Å; K425-F429 PolarHBondContact O-N 3.13Å
426	L	97.9	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-69.9	-39.8	-174.5	80.3	84	0	0	0	112	L382 L385 R386 C389 N422 E423 F429 L430	L382-L426 HydrophobicContact CD1-CD1 4.25Å; L382-L426 HydrophobicContact CD1-CD2 4.38Å; L385-L426 HydrophobicContact CB-CB 4.16Å; L385-L426 HydrophobicContact CB-CD1 4.28Å; L385-L426 HydrophobicContact CD1-CD1 4.46Å; R386-L426 HydrophobicContact CB-CD2 4.38Å; R386-L426 HydrophobicContact CG-CD2 3.49Å; R386-L426 VanDerWaalsContact CG-CD2 3.49Å; C389-L426 HydrophobicContact CB-CB 4.25Å; N422-L426 PolarHBondContact O-N 3.46Å; E423-L426 WeakPolarHBondContact O-CG 3.37Å; E423-L426 PolarHBondContact O-N 3.29Å; L426-F429 WeakPolarHBondContact O-CB 3.38Å; L426-F429 PolarHBondContact O-N 3.37Å; L426-L430 PolarHBondContact O-N 3.49Å
427	W	98.3	Very high	97.5	Very high	11 Å²	11	34.9 Å²	34.9	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-72.4	-34.4	176.9	-71.1	112.1	0	0	0	111.9	I377 E423 F429 L430 E431 K485 R486 F489	I377-W427 HydrophobicContact CD1-CH2 3.48Å; I377-W427 VanDerWaalsContact CD1-CH2 3.48Å; I377-W427 HydrophobicContact CD1-CZ2 3.94Å; I377-W427 HydrophobicContact CD1-CZ3 4.08Å; I377-W427 HydrophobicContact CG1-CH2 3.96Å; E423-W427 WeakPolarHBondContact O-CB 3.46Å; E423-W427 PolarHBondContact O-N 3.49Å; E423-W427 PolarHBondContact OE2-NE1 3.31Å; W427-F429 VanDerWaalsContact C-N 3.34Å; W427-L430 HydrophobicContact CE3-CD2 3.88Å; W427-L430 HydrophobicContact CZ3-CD2 3.63Å; W427-L430 PolarHBondContact O-N 3.06Å; W427-E431 WeakPolarHBondContact O-CB 3.19Å; W427-E431 PolarHBondContact O-N 3.44Å; W427-K485 HydrophobicContact CB-CB 4.24Å; W427-K485 HydrophobicContact CD2-CB 3.51Å; W427-K485 HydrophobicContact CD2-CG 4.01Å; W427-K485 HydrophobicContact CE3-CB 4Å; W427-K485 HydrophobicContact CE3-CG 4.22Å; W427-K485 HydrophobicContact CG-CB 3.61Å; W427-K485 HydrophobicContact CH2-CG 4.17Å; W427-K485 HydrophobicContact CZ2-CB 4.36Å; W427-K485 HydrophobicContact CZ2-CD 4.35Å; W427-K485 HydrophobicContact CZ2-CG 4.01Å; W427-K485 HydrophobicContact CZ3-CG 4.27Å; W427-R486 HydrophobicContact CB-CB 4.17Å; W427-F489 AromaticContact CD1-CD2 3.67Å; W427-F489 AromaticContact CD1-CE2 3.58Å; W427-F489 AromaticContact NE1-CE2 3.42Å
428	T	98.5	Very high	97.5	Very high	38 Å²	38	35.9 Å²	35.9	23%	0.233	18%	0.18	C	C	.	.	H	α-helix	trans	-60.8	-43.8	169.2	-59	0	0	0	0	111.4	I424 K425 N432 R486	I424-T428 VanDerWaalsContact O-CB 3.24Å; I424-T428 WeakPolarHBondContact O-CB 3.35Å; I424-T428 PolarHBondContact O-N 2.96Å; I424-T428 PolarHBondContact O-OG1 2.91Å; K425-T428 PolarHBondContact O-N 3.49Å; T428-N432 WeakPolarHBondContact O-CB 3.3Å; T428-N432 VanDerWaalsContact O-CG 3.26Å; T428-N432 PolarHBondContact O-N 2.88Å; T428-N432 VanDerWaalsContact O-N 3.13Å; T428-N432 PolarHBondContact O-ND2 3.41Å; T428-R486 WeakPolarHBondContact OG1-CD 3.49Å
429	F	98.2	Very high	97.5	Very high	42 Å²	42	43 Å²	43	18%	0.184	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-47.5	176.5	170.2	-93.3	0	0	0	111.3	L341 L385 F388 K425 L426 W427 N432 R433	L341-F429 HydrophobicContact CD1-CE1 4.31Å; L341-F429 HydrophobicContact CD2-CE1 3.88Å; L341-F429 HydrophobicContact CD2-CZ 3.81Å; L385-F429 HydrophobicContact CD2-CD1 3.66Å; L385-F429 HydrophobicContact CD2-CE1 3.72Å; F388-F429 AromaticContact CE1-CD2 3.8Å; F388-F429 HydrophobicContact CE1-CD2 3.8Å; F388-F429 HydrophobicContact CE1-CE1 4.39Å; F388-F429 AromaticContact CE1-CE2 3.62Å; F388-F429 HydrophobicContact CE1-CE2 3.62Å; F388-F429 HydrophobicContact CE1-CG 4.24Å; F388-F429 AromaticContact CE1-CZ 3.94Å; F388-F429 HydrophobicContact CE1-CZ 3.94Å; F388-F429 HydrophobicContact CZ-CE2 4.02Å; F388-F429 HydrophobicContact CZ-CZ 4.29Å; K425-F429 WeakPolarHBondContact O-CB 3.32Å; K425-F429 PolarHBondContact O-N 3.13Å; L426-F429 WeakPolarHBondContact O-CB 3.38Å; L426-F429 PolarHBondContact O-N 3.37Å; W427-F429 VanDerWaalsContact C-N 3.34Å; F429-N432 PolarHBondContact O-N 2.87Å; F429-R433 HydrophobicContact CE1-CB 4.47Å; F429-R433 VanDerWaalsContact O-CB 3.25Å; F429-R433 WeakPolarHBondContact O-CB 3.38Å; F429-R433 PolarHBondContact O-N 2.91Å
430	L	97.2	Very high	97.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-44	-177.6	-172.5	62.6	0	0	0	112.1	I339 L370 I377 L385 L426 W427 N432 R433 A434 V478	I339-L430 HydrophobicContact CD1-CD1 4.25Å; L370-L430 HydrophobicContact CD2-CD1 4.04Å; I377-L430 HydrophobicContact CG2-CD2 3.65Å; L385-L430 HydrophobicContact CD1-CD1 4.48Å; L385-L430 HydrophobicContact CD1-CD2 4.3Å; L426-L430 PolarHBondContact O-N 3.49Å; W427-L430 HydrophobicContact CE3-CD2 3.88Å; W427-L430 HydrophobicContact CZ3-CD2 3.63Å; W427-L430 PolarHBondContact O-N 3.06Å; L430-N432 PolarHBondContact O-N 2.74Å; L430-R433 PolarHBondContact O-N 2.84Å; L430-A434 WeakPolarHBondContact O-CB 3.5Å; L430-A434 PolarHBondContact O-N 2.81Å; L430-V478 HydrophobicContact CD1-CG1 4.18Å; L430-V478 HydrophobicContact CD2-CG1 4.06Å; L430-V478 HydrophobicContact CG-CG1 3.88Å
431	E	97.8	Very high	97.3	Very high	14 Å²	14	46.2 Å²	46.2	7%	0.065	23%	0.229	C	C	.	.	H	α-helix	trans	-55.4	-51.4	174.2	176.7	-175.7	-172.1	0	0	110.9	W427 R433 A434 A435 R483 R486	W427-E431 WeakPolarHBondContact O-CB 3.19Å; W427-E431 PolarHBondContact O-N 3.44Å; E431-R433 VanDerWaalsContact C-N 3.32Å; E431-R433 PolarHBondContact O-N 3.37Å; E431-A434 PolarHBondContact O-N 3.11Å; E431-A435 WeakPolarHBondContact O-CB 3.46Å; E431-A435 PolarHBondContact O-N 3.37Å; E431-R483 IonicContact OE1-CZ 2.75Å; E431-R483 IonicContact OE1-NE 3.43Å; E431-R483 PolarHBondContact OE1-NE 2.97Å; E431-R483 IonicContact OE1-NH2 2.8Å; E431-R483 PolarHBondContact OE1-NH2 2.78Å; E431-R486 IonicContact OE1-NH2 2.97Å; E431-R486 IonicContact OE2-CZ 3.79Å; E431-R486 IonicContact OE2-NE 3.63Å; E431-R486 IonicContact OE2-NH1 3.19Å; E431-R486 PolarHBondContact OE2-NH1 3.44Å; E431-R486 IonicContact OE2-NH2 2.94Å; E431-R486 PolarHBondContact OE2-NH2 3.29Å
432	N	97.9	Very high	97	Very high	94 Å²	94	49.5 Å²	49.5	50%	0.503	24%	0.242	S	C	.	.	H	α-helix	trans	-65.1	-37.7	-178.7	-74	-31.6	0	0	0	111.9	T428 F429 L430 L436	T428-N432 WeakPolarHBondContact O-CB 3.3Å; T428-N432 VanDerWaalsContact O-CG 3.26Å; T428-N432 PolarHBondContact O-N 2.88Å; T428-N432 VanDerWaalsContact O-N 3.13Å; T428-N432 PolarHBondContact O-ND2 3.41Å; F429-N432 PolarHBondContact O-N 2.87Å; L430-N432 PolarHBondContact O-N 2.74Å; N432-L436 WeakPolarHBondContact O-CB 3.21Å; N432-L436 PolarHBondContact O-N 3.18Å
433	R	97.4	Very high	96.9	Very high	80 Å²	80	51.2 Å²	51.2	30%	0.302	25%	0.253	S	S	.	.	H	α-helix	trans	-68.5	-44.1	178.8	178.8	54.9	68.6	106	4.6	111.5	I339 F429 L430 E431 L436 L437	I339-R433 HydrophobicContact CD1-CG 3.7Å; I339-R433 HydrophobicContact CG1-CG 4.49Å; F429-R433 HydrophobicContact CE1-CB 4.47Å; F429-R433 VanDerWaalsContact O-CB 3.25Å; F429-R433 WeakPolarHBondContact O-CB 3.38Å; F429-R433 PolarHBondContact O-N 2.91Å; L430-R433 PolarHBondContact O-N 2.84Å; E431-R433 VanDerWaalsContact C-N 3.32Å; E431-R433 PolarHBondContact O-N 3.37Å; R433-L436 PolarHBondContact O-N 3.31Å; R433-L437 HydrophobicContact CG-CD1 4.43Å; R433-L437 WeakPolarHBondContact O-CG 3.31Å; R433-L437 PolarHBondContact O-N 2.89Å
434	A	97.1	Very high	96.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-44.8	175.1	0	0	0	0	0	111.1	L430 E431 L436 L437 L438 V478	L430-A434 WeakPolarHBondContact O-CB 3.5Å; L430-A434 PolarHBondContact O-N 2.81Å; E431-A434 PolarHBondContact O-N 3.11Å; A434-L436 VanDerWaalsContact C-N 3.3Å; A434-L436 PolarHBondContact O-N 3.26Å; A434-L437 PolarHBondContact O-N 3.35Å; A434-L438 PolarHBondContact O-N 2.9Å; A434-V478 HydrophobicContact CB-CB 4.28Å; A434-V478 HydrophobicContact CB-CG1 3.96Å
435	A	96.6	Very high	96.8	Very high	33 Å²	33	53 Å²	53	27%	0.273	27%	0.265	S	S	.	.	H	α-helix	trans	-62.3	-34.2	175.6	0	0	0	0	0	113.2	E431 K439	E431-A435 WeakPolarHBondContact O-CB 3.46Å; E431-A435 PolarHBondContact O-N 3.37Å; A435-K439 WeakPolarHBondContact O-CG 3.43Å; A435-K439 PolarHBondContact O-N 3.2Å
436	L	96.7	Very high	96.8	Very high	104 Å²	104	54.1 Å²	54.1	55%	0.545	27%	0.272	S	S	.	.	H	α-helix	trans	-69.6	-41.1	174.8	-177.7	63.1	0	0	0	111.8	N432 R433 A434 K439	N432-L436 WeakPolarHBondContact O-CB 3.21Å; N432-L436 PolarHBondContact O-N 3.18Å; R433-L436 PolarHBondContact O-N 3.31Å; A434-L436 VanDerWaalsContact C-N 3.3Å; A434-L436 PolarHBondContact O-N 3.26Å; L436-K439 PolarHBondContact O-N 3.08Å
437	L	96.4	Very high	96.7	Very high	39 Å²	39	58.3 Å²	58.3	20%	0.204	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-39.9	175.8	-70.4	170.7	0	0	0	111.4	I339 R433 A434 K439 T440 Y441 L475	I339-L437 HydrophobicContact CD1-CD1 4.47Å; I339-L437 HydrophobicContact CG1-CD1 4.36Å; R433-L437 HydrophobicContact CG-CD1 4.43Å; R433-L437 WeakPolarHBondContact O-CG 3.31Å; R433-L437 PolarHBondContact O-N 2.89Å; A434-L437 PolarHBondContact O-N 3.35Å; L437-K439 PolarHBondContact O-N 3.22Å; L437-T440 PolarHBondContact O-N 3.02Å; L437-T440 PolarHBondContact O-OG1 3.39Å; L437-Y441 VanDerWaalsContact O-CD2 3.3Å; L437-Y441 WeakPolarHBondContact O-CD2 3.3Å; L437-Y441 WeakPolarHBondContact O-CE2 3.48Å; L437-L475 HydrophobicContact CB-CD1 3.94Å; L437-L475 HydrophobicContact CB-CD2 4.24Å; L437-L475 HydrophobicContact CD1-CD2 4.01Å
438	L	96.3	Very high	96.7	Very high	36 Å²	36	57.9 Å²	57.9	19%	0.188	29%	0.292	C	S	.	.	H	α-helix	trans	-57.1	-37.3	174.8	-78.5	167.5	0	0	0	112.7	A434 T440 Y441 K472 L475 E476	A434-L438 PolarHBondContact O-N 2.9Å; L438-T440 PolarHBondContact O-N 3.28Å; L438-Y441 WeakPolarHBondContact O-CD2 3.43Å; L438-Y441 PolarHBondContact O-N 3.13Å; L438-K472 HydrophobicContact CD2-CB 3.89Å; L438-K472 HydrophobicContact CD2-CG 3.97Å; L438-L475 HydrophobicContact CD1-CB 4.18Å; L438-L475 HydrophobicContact CD2-CB 3.68Å; L438-L475 HydrophobicContact CD2-CD1 4.16Å; L438-L475 HydrophobicContact CG-CB 3.69Å; L438-L475 HydrophobicContact CG-CD1 4.28Å; L438-E476 HydrophobicContact CD1-CG 3.75Å; L438-E476 HydrophobicContact CD2-CG 4Å
439	K	95.4	Very high	96.6	Very high	170 Å²	170	61.3 Å²	61.3	74%	0.739	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.7	178.5	-68.8	173	-177	179.4	0	114	A435 L436 L437 Y441	A435-K439 WeakPolarHBondContact O-CG 3.43Å; A435-K439 PolarHBondContact O-N 3.2Å; L436-K439 PolarHBondContact O-N 3.08Å; L437-K439 PolarHBondContact O-N 3.22Å; K439-Y441 VanDerWaalsContact C-N 3.34Å
440	T	93.8	Very high	96.5	Very high	85 Å²	85	62.6 Å²	62.6	52%	0.521	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-15.5	175.6	68.8	0	0	0	0	112.7	L437 L438	L437-T440 PolarHBondContact O-N 3.02Å; L437-T440 PolarHBondContact O-OG1 3.39Å; L438-T440 PolarHBondContact O-N 3.28Å
441	Y	95.6	Very high	96.5	Very high	19 Å²	19	65 Å²	65	8%	0.075	33%	0.326	C	S	.	.	S	Bend	trans	-76.6	144.4	174.4	-65.3	-98.9	0	0	0	110.4	T200 L437 L438 K439 R468 E471 K472 L475	T200-Y441 HydrophobicContact CG2-CE1 4.18Å; L437-Y441 VanDerWaalsContact O-CD2 3.3Å; L437-Y441 WeakPolarHBondContact O-CD2 3.3Å; L437-Y441 WeakPolarHBondContact O-CE2 3.48Å; L438-Y441 WeakPolarHBondContact O-CD2 3.43Å; L438-Y441 PolarHBondContact O-N 3.13Å; K439-Y441 VanDerWaalsContact C-N 3.34Å; Y441-R468 HydrophobicContact CD1-CG 4.23Å; Y441-E471 HydrophobicContact CE1-CB 4.19Å; Y441-E471 WeakPolarHBondContact CE1-OE2 3.5Å; Y441-E471 WeakPolarHBondContact OH-CB 3.42Å; Y441-E471 PolarHBondContact OH-OE2 3.37Å; Y441-K472 HydrophobicContact CD1-CD 4.26Å; Y441-K472 HydrophobicContact CD1-CG 3.91Å; Y441-K472 HydrophobicContact CD2-CG 4.06Å; Y441-K472 HydrophobicContact CE1-CG 4.17Å; Y441-K472 HydrophobicContact CE2-CG 4.33Å; Y441-K472 HydrophobicContact CG-CD 4.01Å; Y441-K472 HydrophobicContact CG-CG 3.85Å; Y441-L475 HydrophobicContact CE2-CD1 3.63Å
442	K	93.5	Very high	96.4	Very high	155 Å²	155	65.7 Å²	65.7	67%	0.674	33%	0.33	S	S	*	.	S	Bend	trans	-79.3	-17.6	-177.4	-65.9	179.7	-179.8	174.9	0	113.9
443	T	96.3	Very high	96.3	Very high	37 Å²	37	68.8 Å²	68.8	23%	0.227	34%	0.341	C	S	.	.	S	Bend	trans	-131.9	155.6	-175.6	58.7	0	0	0	0	110.1	D448 R468 K472	T443-D448 WeakPolarHBondContact CB-OD1 3.5Å; T443-D448 PolarHBondContact OG1-OD1 3.05Å; T443-R468 PolarHBondContact OG1-NE 3.34Å; T443-K472 WeakPolarHBondContact O-CD 3.39Å
444	T	96.9	Very high	96.1	Very high	63 Å²	63	69.8 Å²	69.8	39%	0.387	35%	0.348	S	S	.	.			trans	-86	171.6	172.5	81.4	0	0	0	0	111.8	E446 D447 D448 K472	T444-E446 VanDerWaalsContact C-N 3.31Å; T444-E446 VanDerWaalsContact CB-OE2 3.3Å; T444-E446 WeakPolarHBondContact CB-OE2 3.3Å; T444-E446 PolarHBondContact OG1-N 2.69Å; T444-E446 PolarHBondContact OG1-OE2 3.11Å; T444-D447 PolarHBondContact N-OD2 3.18Å; T444-D447 PolarHBondContact O-N 3.48Å; T444-D447 PolarHBondContact OG1-N 3.21Å; T444-D448 PolarHBondContact O-N 3.26Å; T444-K472 WeakPolarHBondContact O-CE 3.31Å
445	S	97.1	Very high	95.6	Very high	0 Å²	0	75 Å²	75	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-66.7	-34.8	175.6	-62.8	0	0	0	0	111.6	D448 R449 K472 E476	S445-D448 PolarHBondContact O-N 3.04Å; S445-R449 WeakPolarHBondContact O-CG 3.37Å; S445-R449 PolarHBondContact O-N 2.94Å; S445-K472 WeakPolarHBondContact OG-CB 3.43Å; S445-K472 WeakPolarHBondContact OG-CE 3.33Å; S445-E476 WeakPolarHBondContact CB-OE1 3.1Å; S445-E476 VanDerWaalsContact OG-CD 3.3Å; S445-E476 PolarHBondContact OG-OE1 3.09Å; S445-E476 PolarHBondContact OG-OE2 3.02Å
446	E	97.2	Very high	95.2	Very high	117 Å²	117	80.9 Å²	80.9	55%	0.547	41%	0.409	S	S	.	.	H	α-helix	trans	-66.4	-41.7	174.2	-59	76.4	-165.6	0	0	112.4	T444 D448 R449 S450	T444-E446 VanDerWaalsContact C-N 3.31Å; T444-E446 VanDerWaalsContact CB-OE2 3.3Å; T444-E446 WeakPolarHBondContact CB-OE2 3.3Å; T444-E446 PolarHBondContact OG1-N 2.69Å; T444-E446 PolarHBondContact OG1-OE2 3.11Å; E446-D448 VanDerWaalsContact C-N 3.26Å; E446-D448 PolarHBondContact O-N 3.26Å; E446-R449 PolarHBondContact O-N 3.49Å; E446-S450 WeakPolarHBondContact O-CB 3.26Å; E446-S450 PolarHBondContact O-N 2.84Å; E446-S450 PolarHBondContact O-OG 3.43Å
447	D	96.7	Very high	95	Very high	88 Å²	88	77.4 Å²	77.4	47%	0.471	39%	0.391	S	S	.	.	H	α-helix	trans	-57.8	-43	174.7	-69.2	-30.2	0	0	0	110.8	T444 S450 F451	T444-D447 PolarHBondContact N-OD2 3.18Å; T444-D447 PolarHBondContact O-N 3.48Å; T444-D447 PolarHBondContact OG1-N 3.21Å; D447-S450 PolarHBondContact O-N 2.94Å; D447-F451 WeakPolarHBondContact O-CB 3.4Å; D447-F451 PolarHBondContact O-N 3.34Å
448	D	97.6	Very high	95	Very high	1 Å²	1	78.2 Å²	78.2	1%	0.005	40%	0.399	C	S	.	.	H	α-helix	trans	-71.9	-41.4	-178.1	-75.5	5.7	0	0	0	112.5	T443 T444 S445 E446 S450 F451 L452 V465 R468 L469 K472	T443-D448 WeakPolarHBondContact CB-OD1 3.5Å; T443-D448 PolarHBondContact OG1-OD1 3.05Å; T444-D448 PolarHBondContact O-N 3.26Å; S445-D448 PolarHBondContact O-N 3.04Å; E446-D448 VanDerWaalsContact C-N 3.26Å; E446-D448 PolarHBondContact O-N 3.26Å; D448-S450 VanDerWaalsContact C-N 3.34Å; D448-F451 WeakPolarHBondContact O-CB 3.34Å; D448-F451 PolarHBondContact O-N 3.42Å; D448-L452 WeakPolarHBondContact O-CG 3.42Å; D448-L452 PolarHBondContact O-N 3.44Å; D448-V465 HydrophobicContact CB-CG1 3.96Å; D448-R468 IonicContact OD1-CZ 3.99Å; D448-R468 VanDerWaalsContact OD1-CZ 3.26Å; D448-R468 IonicContact OD1-NE 3.24Å; D448-R468 PolarHBondContact OD1-NE 3.12Å; D448-R468 VanDerWaalsContact OD1-NE 3.15Å; D448-R468 IonicContact OD1-NH2 2.87Å; D448-R468 PolarHBondContact OD1-NH2 3.05Å; D448-R468 WeakPolarHBondContact OD2-CG 3.4Å; D448-R468 IonicContact OD2-CZ 3.94Å; D448-R468 IonicContact OD2-NE 2.72Å; D448-R468 PolarHBondContact OD2-NE 3.33Å; D448-R468 IonicContact OD2-NH2 3.65Å; D448-L469 HydrophobicContact CB-CB 4.14Å; D448-L469 HydrophobicContact CB-CD1 4.14Å; D448-K472 IonicContact OD2-NZ 2.74Å; D448-K472 PolarHBondContact OD2-NZ 2.99Å
449	R	97.3	Very high	94.9	Very high	110 Å²	110	80.8 Å²	80.8	42%	0.415	41%	0.413	S	S	.	.	H	α-helix	trans	-58.4	-48.3	171.5	-70.9	-178	-147.3	-69.8	-4	111	S445 E446 F451 L452 E453 L469 E473	S445-R449 WeakPolarHBondContact O-CG 3.37Å; S445-R449 PolarHBondContact O-N 2.94Å; E446-R449 PolarHBondContact O-N 3.49Å; R449-F451 PolarHBondContact O-N 3.41Å; R449-L452 PolarHBondContact O-N 3.18Å; R449-L452 VanDerWaalsContact O-N 3.11Å; R449-E453 PolarHBondContact O-N 2.99Å; R449-L469 HydrophobicContact CG-CD1 4.36Å; R449-L469 HydrophobicContact CG-CD2 3.92Å; R449-E473 IonicContact CZ-OE1 2.81Å; R449-E473 IonicContact NH1-OE1 2.95Å; R449-E473 PolarHBondContact NH1-OE1 3.32Å; R449-E473 IonicContact NH2-OE1 2.62Å; R449-E473 PolarHBondContact NH2-OE1 2.75Å
450	S	96.7	Very high	95	Very high	69 Å²	69	74.2 Å²	74.2	48%	0.483	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-34.3	177.3	-54.2	0	0	0	0	111.9	E446 D447 D448	E446-S450 WeakPolarHBondContact O-CB 3.26Å; E446-S450 PolarHBondContact O-N 2.84Å; E446-S450 PolarHBondContact O-OG 3.43Å; D447-S450 PolarHBondContact O-N 2.94Å; D448-S450 VanDerWaalsContact C-N 3.34Å
451	F	95.6	Very high	95.1	Very high	51 Å²	51	71 Å²	71	22%	0.224	37%	0.366	C	S	.	.	H	α-helix	trans	-67.6	-42	175.4	-167.7	-85.5	0	0	0	111.7	L196 D447 D448 R449 E453 K454 L457 V465	L196-F451 HydrophobicContact CD2-CZ 4.36Å; D447-F451 WeakPolarHBondContact O-CB 3.4Å; D447-F451 PolarHBondContact O-N 3.34Å; D448-F451 WeakPolarHBondContact O-CB 3.34Å; D448-F451 PolarHBondContact O-N 3.42Å; R449-F451 PolarHBondContact O-N 3.41Å; F451-E453 VanDerWaalsContact C-N 3.27Å; F451-E453 PolarHBondContact O-N 3.18Å; F451-K454 HydrophobicContact CD2-CD 4.34Å; F451-K454 VanDerWaalsContact CD2-NZ 3.25Å; F451-K454 WeakPolarHBondContact O-CB 3.3Å; F451-K454 VanDerWaalsContact O-CG 3.3Å; F451-K454 WeakPolarHBondContact O-CG 3.44Å; F451-K454 PolarHBondContact O-N 2.93Å; F451-L457 HydrophobicContact CD1-CD1 3.99Å; F451-L457 HydrophobicContact CD1-CD2 4.01Å; F451-L457 HydrophobicContact CE1-CD1 4.08Å; F451-L457 HydrophobicContact CE1-CD2 3.33Å; F451-L457 HydrophobicContact CE1-CG 4.37Å; F451-L457 HydrophobicContact CZ-CD2 3.87Å; F451-L457 WeakPolarHBondContact O-CD1 3.44Å; F451-V465 HydrophobicContact CB-CG1 4.48Å; F451-V465 HydrophobicContact CD1-CB 4.35Å; F451-V465 HydrophobicContact CD1-CG1 4.14Å; F451-V465 HydrophobicContact CD1-CG2 3.72Å; F451-V465 HydrophobicContact CE1-CG2 3.78Å
452	L	96.4	Very high	95.2	Very high	28 Å²	28	73.7 Å²	73.7	15%	0.147	38%	0.376	C	S	.	.	H	α-helix	trans	-67.3	-22.8	-179	-72	169.8	0	0	0	114.2	D448 R449 K454 L457 R462 V465 Q466 L469	D448-L452 WeakPolarHBondContact O-CG 3.42Å; D448-L452 PolarHBondContact O-N 3.44Å; R449-L452 PolarHBondContact O-N 3.18Å; R449-L452 VanDerWaalsContact O-N 3.11Å; L452-K454 PolarHBondContact O-N 3.02Å; L452-L457 HydrophobicContact CD2-CD1 4.44Å; L452-R462 HydrophobicContact CD2-CG 3.91Å; L452-R462 PolarHBondContact O-NH1 2.7Å; L452-V465 HydrophobicContact CD1-CG1 4.19Å; L452-V465 HydrophobicContact CD2-CB 3.91Å; L452-V465 HydrophobicContact CD2-CG1 3.85Å; L452-V465 HydrophobicContact CG-CB 4.34Å; L452-V465 HydrophobicContact CG-CG1 3.71Å; L452-Q466 HydrophobicContact CD1-CG 4.06Å; L452-Q466 HydrophobicContact CD2-CG 3.92Å; L452-L469 HydrophobicContact CD1-CD2 3.83Å
453	E	95.4	Very high	95.4	Very high	159 Å²	159	66.8 Å²	66.8	74%	0.743	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.2	174.3	-70.9	177.5	-179.4	0	0	113.4	R449 F451	R449-E453 PolarHBondContact O-N 2.99Å; F451-E453 VanDerWaalsContact C-N 3.27Å; F451-E453 PolarHBondContact O-N 3.18Å
454	K	93.3	Very high	95.5	Very high	101 Å²	101	65 Å²	65	44%	0.439	34%	0.335	S	S	.	.			trans	-63.4	128.8	177.2	-67.2	174.7	-176.1	174.4	0	110.1	F451 L452 D456 L457	F451-K454 HydrophobicContact CD2-CD 4.34Å; F451-K454 VanDerWaalsContact CD2-NZ 3.25Å; F451-K454 WeakPolarHBondContact O-CB 3.3Å; F451-K454 VanDerWaalsContact O-CG 3.3Å; F451-K454 WeakPolarHBondContact O-CG 3.44Å; F451-K454 PolarHBondContact O-N 2.93Å; L452-K454 PolarHBondContact O-N 3.02Å; K454-D456 VanDerWaalsContact C-N 3.33Å; K454-D456 PolarHBondContact O-N 2.79Å; K454-L457 HydrophobicContact CB-CD1 4.43Å; K454-L457 HydrophobicContact CB-CD2 4.43Å; K454-L457 HydrophobicContact CB-CG 4.05Å
455	P	86.1	Confident	95.5	Very high	110 Å²	110	62 Å²	62	71%	0.714	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-30.9	-175.9	26.5	-33.8	0	0	0	112.7	L457	P455-L457 PolarHBondContact O-N 2.81Å
456	D	89	Confident	95.6	Very high	156 Å²	156	63.7 Å²	63.7	83%	0.834	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	30.2	-169.6	-56.5	-40	0	0	0	114	K454	K454-D456 VanDerWaalsContact C-N 3.33Å; K454-D456 PolarHBondContact O-N 2.79Å
457	L	93.1	Very high	95.6	Very high	32 Å²	32	58.2 Å²	58.2	17%	0.168	30%	0.299	C	S	.	.			trans	-79.7	132.8	176.3	-69.4	178.8	0	0	0	111.7	F451 L452 K454 P455	F451-L457 HydrophobicContact CD1-CD1 3.99Å; F451-L457 HydrophobicContact CD1-CD2 4.01Å; F451-L457 HydrophobicContact CE1-CD1 4.08Å; F451-L457 HydrophobicContact CE1-CD2 3.33Å; F451-L457 HydrophobicContact CE1-CG 4.37Å; F451-L457 HydrophobicContact CZ-CD2 3.87Å; F451-L457 WeakPolarHBondContact O-CD1 3.44Å; L452-L457 HydrophobicContact CD2-CD1 4.44Å; K454-L457 HydrophobicContact CB-CD1 4.43Å; K454-L457 HydrophobicContact CB-CD2 4.43Å; K454-L457 HydrophobicContact CB-CG 4.05Å; P455-L457 PolarHBondContact O-N 2.81Å
458	S	95	Very high	95.6	Very high	55 Å²	55	55 Å²	55	39%	0.385	28%	0.281	S	S	.	.			trans	-60.6	153.9	164.7	74.6	0	0	0	0	110.1	D193 H460 S461 R462	D193-S458 PolarHBondContact OD1-OG 3.37Å; S458-H460 VanDerWaalsContact C-N 3.3Å; S458-H460 PolarHBondContact O-N 2.91Å; S458-S461 PolarHBondContact O-N 2.8Å; S458-S461 WeakPolarHBondContact OG-CB 3.38Å; S458-S461 PolarHBondContact OG-N 2.89Å; S458-S461 PolarHBondContact OG-OG 3.23Å; S458-R462 WeakPolarHBondContact O-CB 3.22Å; S458-R462 PolarHBondContact O-N 3.35Å
459	L	94.7	Very high	95.7	Very high	91 Å²	91	55.6 Å²	55.6	48%	0.476	28%	0.284	S	S	.	.	H	α-helix	trans	-55	-47.7	174.8	177.6	60.5	0	0	0	111	D184 S461 R462 L463	D184-L459 HydrophobicContact CB-CD2 4.44Å; L459-S461 PolarHBondContact O-N 2.85Å; L459-R462 WeakPolarHBondContact O-CB 3.45Å; L459-R462 PolarHBondContact O-N 3.4Å; L459-R462 VanDerWaalsContact O-N 3.13Å; L459-L463 HydrophobicContact CD1-CD1 4.31Å; L459-L463 HydrophobicContact CD1-CD2 4.48Å; L459-L463 HydrophobicContact CD1-CG 4.15Å; L459-L463 HydrophobicContact CG-CD1 4.15Å; L459-L463 HydrophobicContact CG-CG 4.39Å; L459-L463 WeakPolarHBondContact O-CG 3.17Å; L459-L463 PolarHBondContact O-N 3.41Å
460	H	97.1	Very high	95.7	Very high	31 Å²	31	50.6 Å²	50.6	14%	0.144	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-40.9	-178.5	-60	162.6	0	0	0	112.8	D184 Y189 D193 S458 R462 L463 A464	D184-H460 IonicContact OD1-CD2 2.97Å; D184-H460 PolarHBondContact OD1-CD2 2.77Å; D184-H460 IonicContact OD1-CE1 2.74Å; D184-H460 IonicContact OD1-NE2 3.49Å; D184-H460 PolarHBondContact OD1-NE2 2.92Å; Y189-H460 HydrophobicContact CD1-CB 3.55Å; Y189-H460 AromaticContact CD1-CD2 3.72Å; Y189-H460 AromaticContact CD1-CG 3.3Å; Y189-H460 AromaticContact CD1-ND1 3.57Å; Y189-H460 HydrophobicContact CD2-CB 4.19Å; Y189-H460 HydrophobicContact CE1-CB 3.57Å; Y189-H460 AromaticContact CE1-CD2 3.43Å; Y189-H460 VanDerWaalsContact CE1-CD2 3.43Å; Y189-H460 WeakPolarHBondContact CE1-CD2 3.37Å; Y189-H460 AromaticContact CE1-CG 3.4Å; Y189-H460 HydrophobicContact CE2-CB 4.2Å; Y189-H460 HydrophobicContact CG-CB 3.89Å; D193-H460 HydrophobicContact CB-CB 4.09Å; S458-H460 VanDerWaalsContact C-N 3.3Å; S458-H460 PolarHBondContact O-N 2.91Å; H460-R462 VanDerWaalsContact C-N 3.34Å; H460-L463 PolarHBondContact O-N 3.47Å; H460-A464 WeakPolarHBondContact O-CB 3.5Å; H460-A464 PolarHBondContact O-N 2.67Å
461	S	97.3	Very high	95.7	Very high	18 Å²	18	47.7 Å²	47.7	13%	0.126	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-41.3	172.7	-79.7	0	0	0	0	111.6	D193 S458 L459 A464 V465	D193-S461 PolarHBondContact OD1-N 3.34Å; D193-S461 PolarHBondContact OD1-OG 3.47Å; S458-S461 PolarHBondContact O-N 2.8Å; S458-S461 WeakPolarHBondContact OG-CB 3.38Å; S458-S461 PolarHBondContact OG-N 2.89Å; S458-S461 PolarHBondContact OG-OG 3.23Å; L459-S461 PolarHBondContact O-N 2.85Å; S461-A464 PolarHBondContact O-N 3.01Å; S461-V465 WeakPolarHBondContact O-CG2 3.49Å; S461-V465 PolarHBondContact O-N 3.37Å; S461-V465 VanDerWaalsContact O-N 3.07Å
462	R	97.1	Very high	95.9	Very high	76 Å²	76	45.5 Å²	45.5	29%	0.287	24%	0.235	S	C	.	.	H	α-helix	trans	-62.4	-50.2	176.9	-176.4	176.7	-64.1	-74.8	-3.9	111.2	L452 S458 L459 H460 A464 V465 Q466	L452-R462 HydrophobicContact CD2-CG 3.91Å; L452-R462 PolarHBondContact O-NH1 2.7Å; S458-R462 WeakPolarHBondContact O-CB 3.22Å; S458-R462 PolarHBondContact O-N 3.35Å; L459-R462 WeakPolarHBondContact O-CB 3.45Å; L459-R462 PolarHBondContact O-N 3.4Å; L459-R462 VanDerWaalsContact O-N 3.13Å; H460-R462 VanDerWaalsContact C-N 3.34Å; R462-A464 VanDerWaalsContact C-N 3.33Å; R462-A464 PolarHBondContact O-N 3.42Å; R462-V465 PolarHBondContact O-N 2.78Å; R462-Q466 HydrophobicContact CG-CG 4.4Å; R462-Q466 WeakPolarHBondContact O-CB 3.42Å; R462-Q466 WeakPolarHBondContact O-CG 3.25Å; R462-Q466 PolarHBondContact O-N 3.45Å
463	L	97.4	Very high	95.9	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.052	24%	0.242	C	C	.	.	H	α-helix	trans	-59.1	-42.8	177.8	-67.6	178.6	0	0	0	111.8	D184 Y189 F328 L459 H460 V465 Q466 L467	D184-L463 HydrophobicContact CB-CD1 4.38Å; Y189-L463 VanDerWaalsContact OH-CB 3.26Å; Y189-L463 WeakPolarHBondContact OH-CB 3.35Å; F328-L463 HydrophobicContact CB-CD2 3.5Å; F328-L463 VanDerWaalsContact CB-CD2 3.5Å; L459-L463 HydrophobicContact CD1-CD1 4.31Å; L459-L463 HydrophobicContact CD1-CD2 4.48Å; L459-L463 HydrophobicContact CD1-CG 4.15Å; L459-L463 HydrophobicContact CG-CD1 4.15Å; L459-L463 HydrophobicContact CG-CG 4.39Å; L459-L463 WeakPolarHBondContact O-CG 3.17Å; L459-L463 PolarHBondContact O-N 3.41Å; H460-L463 PolarHBondContact O-N 3.47Å; L463-V465 PolarHBondContact O-N 2.75Å; L463-Q466 PolarHBondContact O-N 3.5Å; L463-L467 WeakPolarHBondContact O-CB 3.3Å; L463-L467 PolarHBondContact O-N 3.05Å
464	A	98	Very high	96	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-42.3	177.6	0	0	0	0	0	112.6	Y189 L196 L197 H460 S461 R462 R468	Y189-A464 HydrophobicContact CE2-CB 4.32Å; L196-A464 HydrophobicContact CB-CB 4.11Å; L196-A464 HydrophobicContact CD1-CB 4.44Å; L197-A464 HydrophobicContact CD2-CB 3.89Å; L197-A464 WeakPolarHBondContact CD2-O 3.34Å; L197-A464 HydrophobicContact CG-CB 3.97Å; H460-A464 WeakPolarHBondContact O-CB 3.5Å; H460-A464 PolarHBondContact O-N 2.67Å; S461-A464 PolarHBondContact O-N 3.01Å; R462-A464 VanDerWaalsContact C-N 3.33Å; R462-A464 PolarHBondContact O-N 3.42Å; A464-R468 WeakPolarHBondContact O-CB 3.26Å; A464-R468 PolarHBondContact O-N 3.36Å; A464-R468 VanDerWaalsContact O-N 3.1Å
465	V	97.9	Very high	96.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-75.4	-37.3	179.5	177.5	0	0	0	0	111.7	L196 D448 F451 L452 S461 R462 L463 L467 R468 L469	L196-V465 HydrophobicContact CB-CG2 4.48Å; L196-V465 HydrophobicContact CD1-CG2 4.07Å; D448-V465 HydrophobicContact CB-CG1 3.96Å; F451-V465 HydrophobicContact CB-CG1 4.48Å; F451-V465 HydrophobicContact CD1-CB 4.35Å; F451-V465 HydrophobicContact CD1-CG1 4.14Å; F451-V465 HydrophobicContact CD1-CG2 3.72Å; F451-V465 HydrophobicContact CE1-CG2 3.78Å; L452-V465 HydrophobicContact CD1-CG1 4.19Å; L452-V465 HydrophobicContact CD2-CB 3.91Å; L452-V465 HydrophobicContact CD2-CG1 3.85Å; L452-V465 HydrophobicContact CG-CB 4.34Å; L452-V465 HydrophobicContact CG-CG1 3.71Å; S461-V465 WeakPolarHBondContact O-CG2 3.49Å; S461-V465 PolarHBondContact O-N 3.37Å; S461-V465 VanDerWaalsContact O-N 3.07Å; R462-V465 PolarHBondContact O-N 2.78Å; L463-V465 PolarHBondContact O-N 2.75Å; V465-L467 VanDerWaalsContact C-N 3.34Å; V465-L467 PolarHBondContact O-N 3.2Å; V465-R468 PolarHBondContact O-N 2.94Å; V465-L469 VanDerWaalsContact O-CB 3.32Å; V465-L469 WeakPolarHBondContact O-CB 3.25Å; V465-L469 PolarHBondContact O-N 3.33Å
466	Q	97.9	Very high	96.8	Very high	35 Å²	35	33.2 Å²	33.2	16%	0.164	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-45.9	172.4	-78	177.5	-59.3	0	0	111.3	F328 L452 R462 L463 L469 A470	F328-Q466 HydrophobicContact CD1-CB 3.78Å; F328-Q466 HydrophobicContact CD1-CG 4.21Å; F328-Q466 HydrophobicContact CD2-CB 3.88Å; F328-Q466 HydrophobicContact CE1-CB 3.85Å; F328-Q466 HydrophobicContact CE1-CG 4.31Å; F328-Q466 HydrophobicContact CE2-CB 3.97Å; F328-Q466 HydrophobicContact CG-CB 3.79Å; F328-Q466 HydrophobicContact CZ-CB 3.96Å; L452-Q466 HydrophobicContact CD1-CG 4.06Å; L452-Q466 HydrophobicContact CD2-CG 3.92Å; R462-Q466 HydrophobicContact CG-CG 4.4Å; R462-Q466 WeakPolarHBondContact O-CB 3.42Å; R462-Q466 WeakPolarHBondContact O-CG 3.25Å; R462-Q466 PolarHBondContact O-N 3.45Å; L463-Q466 PolarHBondContact O-N 3.5Å; Q466-L469 PolarHBondContact O-N 3.47Å; Q466-A470 WeakPolarHBondContact O-CB 3.47Å; Q466-A470 PolarHBondContact O-N 2.82Å
467	L	98.1	Very high	97.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-60.7	-48.3	176.3	-179.6	58.6	0	0	0	111.8	L197 A202 N318 A319 V322 F328 L463 V465 L469 A470 E471	L197-L467 HydrophobicContact CD2-CD2 4.16Å; A202-L467 HydrophobicContact CB-CD2 3.62Å; A202-L467 HydrophobicContact CB-CG 4.39Å; N318-L467 HydrophobicContact CB-CD1 4.23Å; A319-L467 HydrophobicContact CB-CD1 3.99Å; V322-L467 HydrophobicContact CB-CD2 4.19Å; V322-L467 HydrophobicContact CG1-CD2 4.19Å; V322-L467 HydrophobicContact CG2-CD2 4.37Å; F328-L467 HydrophobicContact CD2-CB 4.47Å; L463-L467 WeakPolarHBondContact O-CB 3.3Å; L463-L467 PolarHBondContact O-N 3.05Å; V465-L467 VanDerWaalsContact C-N 3.34Å; V465-L467 PolarHBondContact O-N 3.2Å; L467-L469 VanDerWaalsContact C-N 3.29Å; L467-L469 PolarHBondContact O-N 3.31Å; L467-A470 PolarHBondContact O-N 2.94Å; L467-E471 WeakPolarHBondContact O-CG 3.4Å; L467-E471 PolarHBondContact O-N 3.24Å
468	R	97.6	Very high	97.4	Very high	22 Å²	22	28.2 Å²	28.2	8%	0.083	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-36.8	177.2	-178.3	178.5	71.4	-157.6	5.6	112.5	L196 T200 Y441 T443 D448 A464 V465 K472	L196-R468 PolarHBondContact O-NH1 2.95Å; T200-R468 HydrophobicContact CG2-CB 3.78Å; T200-R468 HydrophobicContact CG2-CG 3.71Å; Y441-R468 HydrophobicContact CD1-CG 4.23Å; T443-R468 PolarHBondContact OG1-NE 3.34Å; D448-R468 IonicContact OD1-CZ 3.99Å; D448-R468 VanDerWaalsContact OD1-CZ 3.26Å; D448-R468 IonicContact OD1-NE 3.24Å; D448-R468 PolarHBondContact OD1-NE 3.12Å; D448-R468 VanDerWaalsContact OD1-NE 3.15Å; D448-R468 IonicContact OD1-NH2 2.87Å; D448-R468 PolarHBondContact OD1-NH2 3.05Å; D448-R468 WeakPolarHBondContact OD2-CG 3.4Å; D448-R468 IonicContact OD2-CZ 3.94Å; D448-R468 IonicContact OD2-NE 2.72Å; D448-R468 PolarHBondContact OD2-NE 3.33Å; D448-R468 IonicContact OD2-NH2 3.65Å; A464-R468 WeakPolarHBondContact O-CB 3.26Å; A464-R468 PolarHBondContact O-N 3.36Å; A464-R468 VanDerWaalsContact O-N 3.1Å; V465-R468 PolarHBondContact O-N 2.94Å; R468-K472 PolarHBondContact O-N 2.92Å; R468-K472 PolarHBondContact O-NZ 2.99Å
469	L	98	Very high	97.5	Very high	13 Å²	13	26.2 Å²	26.2	7%	0.068	12%	0.124	C	C	.	.	H	α-helix	trans	-66.4	-51.3	175.7	176.3	58.6	0	0	0	110.5	D448 R449 L452 V465 Q466 L467 E471 K472 E473	D448-L469 HydrophobicContact CB-CB 4.14Å; D448-L469 HydrophobicContact CB-CD1 4.14Å; R449-L469 HydrophobicContact CG-CD1 4.36Å; R449-L469 HydrophobicContact CG-CD2 3.92Å; L452-L469 HydrophobicContact CD1-CD2 3.83Å; V465-L469 VanDerWaalsContact O-CB 3.32Å; V465-L469 WeakPolarHBondContact O-CB 3.25Å; V465-L469 PolarHBondContact O-N 3.33Å; Q466-L469 PolarHBondContact O-N 3.47Å; L467-L469 VanDerWaalsContact C-N 3.29Å; L467-L469 PolarHBondContact O-N 3.31Å; L469-E471 VanDerWaalsContact C-N 3.32Å; L469-E471 PolarHBondContact O-N 3.07Å; L469-K472 WeakPolarHBondContact O-CA 3.43Å; L469-K472 WeakPolarHBondContact O-CB 3.39Å; L469-K472 PolarHBondContact O-N 3.08Å; L469-E473 HydrophobicContact CD1-CG 4.01Å; L469-E473 HydrophobicContact CG-CG 4.28Å; L469-E473 WeakPolarHBondContact O-CG 3.27Å; L469-E473 PolarHBondContact O-N 3.26Å
470	A	97.9	Very high	97.6	Very high	5 Å²	5	23.7 Å²	23.7	4%	0.041	12%	0.117	C	C	.	.	H	α-helix	trans	-57.5	-42.3	179.8	0	0	0	0	0	112.5	F328 Q466 L467 K472 E473 I474	F328-A470 HydrophobicContact CE2-CB 3.86Å; F328-A470 HydrophobicContact CZ-CB 3.89Å; Q466-A470 WeakPolarHBondContact O-CB 3.47Å; Q466-A470 PolarHBondContact O-N 2.82Å; L467-A470 PolarHBondContact O-N 2.94Å; A470-K472 VanDerWaalsContact C-N 3.27Å; A470-K472 PolarHBondContact O-N 3.35Å; A470-E473 PolarHBondContact O-N 3.09Å; A470-I474 WeakPolarHBondContact O-CG1 3.4Å; A470-I474 PolarHBondContact O-N 3.44Å
471	E	97.8	Very high	97.6	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-58.2	-39.4	175.4	-70.5	-172	-179.7	0	0	112.2	T200 Q201 A202 V337 Y441 L467 L469 L475	T200-E471 WeakPolarHBondContact CA-OE2 3.44Å; T200-E471 VanDerWaalsContact CB-OE2 3.23Å; T200-E471 WeakPolarHBondContact CB-OE2 3.43Å; Q201-E471 PolarHBondContact N-OE2 3.23Å; A202-E471 WeakPolarHBondContact CB-OE1 3.45Å; A202-E471 PolarHBondContact N-OE1 3.35Å; V337-E471 HydrophobicContact CG1-CB 3.88Å; V337-E471 HydrophobicContact CG1-CG 3.9Å; Y441-E471 HydrophobicContact CE1-CB 4.19Å; Y441-E471 WeakPolarHBondContact CE1-OE2 3.5Å; Y441-E471 WeakPolarHBondContact OH-CB 3.42Å; Y441-E471 PolarHBondContact OH-OE2 3.37Å; L467-E471 WeakPolarHBondContact O-CG 3.4Å; L467-E471 PolarHBondContact O-N 3.24Å; L469-E471 VanDerWaalsContact C-N 3.32Å; L469-E471 PolarHBondContact O-N 3.07Å; E471-L475 WeakPolarHBondContact O-CG 3.48Å; E471-L475 PolarHBondContact O-N 3.3Å
472	K	97.9	Very high	97.5	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.017	11%	0.107	C	C	.	.	H	α-helix	trans	-72.9	-42.9	177.5	-72.7	-169.7	-58	-59.3	0	112.2	L438 Y441 T443 T444 S445 D448 R468 L469 A470 I474 L475 E476	L438-K472 HydrophobicContact CD2-CB 3.89Å; L438-K472 HydrophobicContact CD2-CG 3.97Å; Y441-K472 HydrophobicContact CD1-CD 4.26Å; Y441-K472 HydrophobicContact CD1-CG 3.91Å; Y441-K472 HydrophobicContact CD2-CG 4.06Å; Y441-K472 HydrophobicContact CE1-CG 4.17Å; Y441-K472 HydrophobicContact CE2-CG 4.33Å; Y441-K472 HydrophobicContact CG-CD 4.01Å; Y441-K472 HydrophobicContact CG-CG 3.85Å; T443-K472 WeakPolarHBondContact O-CD 3.39Å; T444-K472 WeakPolarHBondContact O-CE 3.31Å; S445-K472 WeakPolarHBondContact OG-CB 3.43Å; S445-K472 WeakPolarHBondContact OG-CE 3.33Å; D448-K472 IonicContact OD2-NZ 2.74Å; D448-K472 PolarHBondContact OD2-NZ 2.99Å; R468-K472 PolarHBondContact O-N 2.92Å; R468-K472 PolarHBondContact O-NZ 2.99Å; L469-K472 WeakPolarHBondContact O-CA 3.43Å; L469-K472 WeakPolarHBondContact O-CB 3.39Å; L469-K472 PolarHBondContact O-N 3.08Å; A470-K472 VanDerWaalsContact C-N 3.27Å; A470-K472 PolarHBondContact O-N 3.35Å; K472-I474 VanDerWaalsContact C-N 3.27Å; K472-I474 PolarHBondContact O-N 3.37Å; K472-L475 CarbonylContact O-C 3.09Å; K472-L475 PolarHBondContact O-N 3.5Å; K472-E476 WeakPolarHBondContact O-CB 3.43Å; K472-E476 WeakPolarHBondContact O-CG 3.38Å; K472-E476 PolarHBondContact O-N 3.46Å
473	E	97.5	Very high	97.5	Very high	62 Å²	62	23.3 Å²	23.3	29%	0.29	11%	0.113	S	C	.	.	H	α-helix	trans	-59.4	-39.9	179.1	-70.6	179.2	141.2	0	0	111.7	R449 L469 A470 E476 K477	R449-E473 IonicContact CZ-OE1 2.81Å; R449-E473 IonicContact NH1-OE1 2.95Å; R449-E473 PolarHBondContact NH1-OE1 3.32Å; R449-E473 IonicContact NH2-OE1 2.62Å; R449-E473 PolarHBondContact NH2-OE1 2.75Å; L469-E473 HydrophobicContact CD1-CG 4.01Å; L469-E473 HydrophobicContact CG-CG 4.28Å; L469-E473 WeakPolarHBondContact O-CG 3.27Å; L469-E473 PolarHBondContact O-N 3.26Å; A470-E473 PolarHBondContact O-N 3.09Å; E473-E476 PolarHBondContact O-N 3.33Å; E473-K477 WeakPolarHBondContact O-CB 3.5Å; E473-K477 PolarHBondContact O-N 2.94Å
474	I	98.2	Very high	97.5	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.041	14%	0.137	C	C	.	.	H	α-helix	trans	-61.4	-46.6	173.9	-66.2	166.8	0	0	0	110.6	D335 V337 L370 C372 A470 K472 K477 V478	D335-I474 HydrophobicContact CB-CD1 4.11Å; V337-I474 HydrophobicContact CG1-CB 4.27Å; V337-I474 HydrophobicContact CG1-CD1 4.04Å; V337-I474 HydrophobicContact CG1-CG2 4.35Å; V337-I474 HydrophobicContact CG2-CG2 3.85Å; L370-I474 HydrophobicContact CB-CG2 4.33Å; C372-I474 HydrophobicContact CB-CD1 4.3Å; C372-I474 HydrophobicContact CB-CG1 3.96Å; A470-I474 WeakPolarHBondContact O-CG1 3.4Å; A470-I474 PolarHBondContact O-N 3.44Å; K472-I474 VanDerWaalsContact C-N 3.27Å; K472-I474 PolarHBondContact O-N 3.37Å; I474-K477 PolarHBondContact O-N 3.06Å; I474-V478 HydrophobicContact CG2-CG2 4.31Å; I474-V478 WeakPolarHBondContact O-CG2 3.34Å; I474-V478 PolarHBondContact O-N 3Å
475	L	98.2	Very high	97.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.9	-37.4	179.4	-68.8	171.8	0	0	0	112.9	V337 L370 L437 L438 Y441 E471 K472 V478 S479	V337-L475 HydrophobicContact CG2-CD2 3.85Å; V337-L475 HydrophobicContact CG2-CG 4.15Å; L370-L475 HydrophobicContact CD1-CD2 3.78Å; L437-L475 HydrophobicContact CB-CD1 3.94Å; L437-L475 HydrophobicContact CB-CD2 4.24Å; L437-L475 HydrophobicContact CD1-CD2 4.01Å; L438-L475 HydrophobicContact CD1-CB 4.18Å; L438-L475 HydrophobicContact CD2-CB 3.68Å; L438-L475 HydrophobicContact CD2-CD1 4.16Å; L438-L475 HydrophobicContact CG-CB 3.69Å; L438-L475 HydrophobicContact CG-CD1 4.28Å; Y441-L475 HydrophobicContact CE2-CD1 3.63Å; E471-L475 WeakPolarHBondContact O-CG 3.48Å; E471-L475 PolarHBondContact O-N 3.3Å; K472-L475 CarbonylContact O-C 3.09Å; K472-L475 PolarHBondContact O-N 3.5Å; L475-V478 PolarHBondContact O-N 3.07Å; L475-S479 WeakPolarHBondContact O-CB 3.38Å; L475-S479 PolarHBondContact O-N 3.22Å
476	E	97.6	Very high	97.5	Very high	71 Å²	71	33.8 Å²	33.8	33%	0.332	16%	0.161	S	C	.	.	H	α-helix	trans	-62.1	-46.2	174	-75.5	167.4	-174.5	0	0	110.5	L438 S445 K472 E473 S479 A480	L438-E476 HydrophobicContact CD1-CG 3.75Å; L438-E476 HydrophobicContact CD2-CG 4Å; S445-E476 WeakPolarHBondContact CB-OE1 3.1Å; S445-E476 VanDerWaalsContact OG-CD 3.3Å; S445-E476 PolarHBondContact OG-OE1 3.09Å; S445-E476 PolarHBondContact OG-OE2 3.02Å; K472-E476 WeakPolarHBondContact O-CB 3.43Å; K472-E476 WeakPolarHBondContact O-CG 3.38Å; K472-E476 PolarHBondContact O-N 3.46Å; E473-E476 PolarHBondContact O-N 3.33Å; E476-S479 WeakPolarHBondContact O-CB 3.45Å; E476-S479 PolarHBondContact O-N 3.37Å; E476-A480 PolarHBondContact O-N 3.04Å
477	K	96.9	Very high	97.5	Very high	83 Å²	83	36.3 Å²	36.3	36%	0.361	18%	0.176	S	C	.	.	H	α-helix	trans	-62.2	-44.9	175.7	-172.7	175.2	179.4	176.2	0	112	C372 E374 E473 I474 S479 A480 S481	C372-K477 WeakPolarHBondContact O-CD 3.47Å; C372-K477 WeakPolarHBondContact O-CE 3.25Å; C372-K477 PolarHBondContact O-NZ 3.44Å; E374-K477 WeakPolarHBondContact OE1-CE 3.41Å; E473-K477 WeakPolarHBondContact O-CB 3.5Å; E473-K477 PolarHBondContact O-N 2.94Å; I474-K477 PolarHBondContact O-N 3.06Å; K477-S479 VanDerWaalsContact C-N 3.3Å; K477-S479 PolarHBondContact O-N 2.99Å; K477-A480 PolarHBondContact O-N 3.32Å; K477-S481 WeakPolarHBondContact O-CB 3.42Å; K477-S481 PolarHBondContact O-N 3.14Å
478	V	97.5	Very high	97.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-42	175.2	173.9	0	0	0	0	111	L370 P376 L430 A434 I474 L475 G482	L370-V478 HydrophobicContact CB-CG2 3.85Å; L370-V478 HydrophobicContact CD1-CB 4.49Å; L370-V478 HydrophobicContact CD1-CG1 4.12Å; L370-V478 HydrophobicContact CD1-CG2 4.07Å; L370-V478 HydrophobicContact CD2-CG1 4.19Å; L370-V478 HydrophobicContact CD2-CG2 4.37Å; L370-V478 HydrophobicContact CG-CG2 4.32Å; P376-V478 HydrophobicContact CB-CG2 3.8Å; L430-V478 HydrophobicContact CD1-CG1 4.18Å; L430-V478 HydrophobicContact CD2-CG1 4.06Å; L430-V478 HydrophobicContact CG-CG1 3.88Å; A434-V478 HydrophobicContact CB-CB 4.28Å; A434-V478 HydrophobicContact CB-CG1 3.96Å; I474-V478 HydrophobicContact CG2-CG2 4.31Å; I474-V478 WeakPolarHBondContact O-CG2 3.34Å; I474-V478 PolarHBondContact O-N 3Å; L475-V478 PolarHBondContact O-N 3.07Å; V478-G482 PolarHBondContact O-N 3.08Å
479	S	97.1	Very high	97.5	Very high	12 Å²	12	40.5 Å²	40.5	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-43.3	177.7	-170.6	0	0	0	0	111.7	L475 E476 K477 R483	L475-S479 WeakPolarHBondContact O-CB 3.38Å; L475-S479 PolarHBondContact O-N 3.22Å; E476-S479 WeakPolarHBondContact O-CB 3.45Å; E476-S479 PolarHBondContact O-N 3.37Å; K477-S479 VanDerWaalsContact C-N 3.3Å; K477-S479 PolarHBondContact O-N 2.99Å; S479-R483 PolarHBondContact O-N 3.13Å
480	A	96.9	Very high	97.5	Very high	39 Å²	39	42.8 Å²	42.8	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-65.1	-50.6	175.9	0	0	0	0	0	112.1	E476 K477 G482 R483 D484	E476-A480 PolarHBondContact O-N 3.04Å; K477-A480 PolarHBondContact O-N 3.32Å; A480-G482 VanDerWaalsContact C-N 3.28Å; A480-G482 PolarHBondContact O-N 2.87Å; A480-R483 WeakPolarHBondContact O-CB 3.47Å; A480-R483 PolarHBondContact O-N 3.27Å; A480-D484 PolarHBondContact O-N 3.07Å
481	S	96.1	Very high	97.5	Very high	9 Å²	9	48.2 Å²	48.2	6%	0.063	23%	0.229	C	C	.	.	H	α-helix	trans	-59.1	-40.2	177.8	-175.5	0	0	0	0	111.4	E374 K477 R483 D484 K485	E374-S481 PolarHBondContact OE2-OG 2.96Å; K477-S481 WeakPolarHBondContact O-CB 3.42Å; K477-S481 PolarHBondContact O-N 3.14Å; S481-R483 PolarHBondContact O-N 3.02Å; S481-D484 PolarHBondContact O-N 3.17Å; S481-K485 WeakPolarHBondContact O-CB 3.28Å; S481-K485 VanDerWaalsContact O-CG 3.31Å; S481-K485 WeakPolarHBondContact O-CG 3.36Å; S481-K485 PolarHBondContact O-N 3.23Å
482	G	96.4	Very high	97.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-39.4	173.9	0	0	0	0	0	113.6	V478 A480 R486	V478-G482 PolarHBondContact O-N 3.08Å; A480-G482 VanDerWaalsContact C-N 3.28Å; A480-G482 PolarHBondContact O-N 2.87Å; G482-R486 WeakPolarHBondContact O-CB 3.44Å; G482-R486 PolarHBondContact O-N 3.18Å
483	R	97.4	Very high	97.3	Very high	107 Å²	107	54 Å²	54	40%	0.404	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-47.8	173.9	-178.6	178.3	-56.2	128	12.6	111.5	E431 S479 A480 S481 R486 L487	E431-R483 IonicContact OE1-CZ 2.75Å; E431-R483 IonicContact OE1-NE 3.43Å; E431-R483 PolarHBondContact OE1-NE 2.97Å; E431-R483 IonicContact OE1-NH2 2.8Å; E431-R483 PolarHBondContact OE1-NH2 2.78Å; S479-R483 PolarHBondContact O-N 3.13Å; A480-R483 WeakPolarHBondContact O-CB 3.47Å; A480-R483 PolarHBondContact O-N 3.27Å; S481-R483 PolarHBondContact O-N 3.02Å; R483-R486 PolarHBondContact O-N 3.43Å; R483-L487 HydrophobicContact CG-CD1 4.15Å; R483-L487 WeakPolarHBondContact O-CG 3.34Å; R483-L487 PolarHBondContact O-N 2.9Å
484	D	97.4	Very high	97.3	Very high	106 Å²	106	58.8 Å²	58.8	57%	0.567	28%	0.279	S	S	*	.	H	α-helix	trans	-64.4	-44	-177.3	-69.3	-13.4	0	0	0	111.2	A480 S481 L487 H488	A480-D484 PolarHBondContact O-N 3.07Å; S481-D484 PolarHBondContact O-N 3.17Å; D484-L487 PolarHBondContact O-N 2.91Å; D484-H488 WeakPolarHBondContact O-CB 3.3Å; D484-H488 PolarHBondContact O-N 3.37Å
485	K	96.8	Very high	97.3	Very high	77 Å²	77	64 Å²	64	34%	0.335	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-44.4	173.8	-70.7	-71.2	-175.4	177.7	0	111.9	W427 S481 L487 H488 F489	W427-K485 HydrophobicContact CB-CB 4.24Å; W427-K485 HydrophobicContact CD2-CB 3.51Å; W427-K485 HydrophobicContact CD2-CG 4.01Å; W427-K485 HydrophobicContact CE3-CB 4Å; W427-K485 HydrophobicContact CE3-CG 4.22Å; W427-K485 HydrophobicContact CG-CB 3.61Å; W427-K485 HydrophobicContact CH2-CG 4.17Å; W427-K485 HydrophobicContact CZ2-CB 4.36Å; W427-K485 HydrophobicContact CZ2-CD 4.35Å; W427-K485 HydrophobicContact CZ2-CG 4.01Å; W427-K485 HydrophobicContact CZ3-CG 4.27Å; S481-K485 WeakPolarHBondContact O-CB 3.28Å; S481-K485 VanDerWaalsContact O-CG 3.31Å; S481-K485 WeakPolarHBondContact O-CG 3.36Å; S481-K485 PolarHBondContact O-N 3.23Å; K485-L487 PolarHBondContact O-N 3.48Å; K485-H488 WeakPolarHBondContact O-CB 3.24Å; K485-H488 PolarHBondContact O-N 2.98Å; K485-F489 HydrophobicContact CB-CD2 4.45Å; K485-F489 HydrophobicContact CB-CE2 4.24Å; K485-F489 HydrophobicContact CD-CE2 4.19Å; K485-F489 WeakPolarHBondContact O-CD2 3.4Å; K485-F489 PolarHBondContact O-N 3.44Å
486	R	97.7	Very high	97.1	Very high	47 Å²	47	66.9 Å²	66.9	18%	0.177	33%	0.333	C	S	.	.	H	α-helix	trans	-56.8	-50.4	175.4	-179.3	-172.4	67.9	-151.1	-14.9	111.4	I424 W427 T428 E431 G482 R483 H488 F489 Q490	I424-R486 HydrophobicContact CG2-CG 4.19Å; W427-R486 HydrophobicContact CB-CB 4.17Å; T428-R486 WeakPolarHBondContact OG1-CD 3.49Å; E431-R486 IonicContact OE1-NH2 2.97Å; E431-R486 IonicContact OE2-CZ 3.79Å; E431-R486 IonicContact OE2-NE 3.63Å; E431-R486 IonicContact OE2-NH1 3.19Å; E431-R486 PolarHBondContact OE2-NH1 3.44Å; E431-R486 IonicContact OE2-NH2 2.94Å; E431-R486 PolarHBondContact OE2-NH2 3.29Å; G482-R486 WeakPolarHBondContact O-CB 3.44Å; G482-R486 PolarHBondContact O-N 3.18Å; R483-R486 PolarHBondContact O-N 3.43Å; R486-H488 VanDerWaalsContact C-N 3.3Å; R486-H488 PolarHBondContact O-N 3.49Å; R486-F489 PolarHBondContact O-N 2.92Å; R486-Q490 HydrophobicContact CG-CG 4.44Å; R486-Q490 WeakPolarHBondContact O-CB 3.45Å; R486-Q490 VanDerWaalsContact O-CG 3.3Å; R486-Q490 WeakPolarHBondContact O-CG 3.41Å; R486-Q490 PolarHBondContact O-N 3.39Å
487	L	98.1	Very high	97	Very high	88 Å²	88	64.4 Å²	64.4	46%	0.461	33%	0.325	S	S	.	.	H	α-helix	trans	-62.5	-39.2	179.7	-69	173.5	0	0	0	111.5	R483 D484 K485 Q490 K491	R483-L487 HydrophobicContact CG-CD1 4.15Å; R483-L487 WeakPolarHBondContact O-CG 3.34Å; R483-L487 PolarHBondContact O-N 2.9Å; D484-L487 PolarHBondContact O-N 2.91Å; K485-L487 PolarHBondContact O-N 3.48Å; L487-Q490 PolarHBondContact O-N 3.42Å; L487-K491 PolarHBondContact O-N 3.38Å
488	H	97.3	Very high	96.8	Very high	93 Å²	93	66 Å²	66	43%	0.431	34%	0.344	S	S	.	.	H	α-helix	trans	-59.1	-49.5	175.4	177.4	78.9	0	0	0	112.2	D484 K485 R486 K491 K492	D484-H488 WeakPolarHBondContact O-CB 3.3Å; D484-H488 PolarHBondContact O-N 3.37Å; K485-H488 WeakPolarHBondContact O-CB 3.24Å; K485-H488 PolarHBondContact O-N 2.98Å; R486-H488 VanDerWaalsContact C-N 3.3Å; R486-H488 PolarHBondContact O-N 3.49Å; H488-K491 PolarHBondContact O-N 2.96Å; H488-K492 WeakPolarHBondContact O-CG 3.36Å; H488-K492 PolarHBondContact O-N 2.94Å; H488-K492 VanDerWaalsContact O-N 3.09Å
489	F	97.8	Very high	96.6	Very high	18 Å²	18	69 Å²	69	8%	0.079	36%	0.359	C	S	.	.	H	α-helix	trans	-73.6	-29.8	-179.4	-65.3	-60.4	0	0	0	113.1	W420 E423 I424 W427 K485 R486 K492 L493	W420-F489 AromaticContact CE3-CD1 3.63Å; W420-F489 HydrophobicContact CE3-CD1 3.63Å; W420-F489 HydrophobicContact CE3-CE1 4.14Å; W420-F489 AromaticContact CZ3-CD1 3.75Å; W420-F489 HydrophobicContact CZ3-CD1 3.75Å; W420-F489 AromaticContact CZ3-CE1 3.83Å; W420-F489 HydrophobicContact CZ3-CE1 3.83Å; E423-F489 HydrophobicContact CB-CB 4.15Å; E423-F489 HydrophobicContact CB-CD1 4.09Å; E423-F489 HydrophobicContact CB-CD2 3.59Å; E423-F489 HydrophobicContact CB-CE1 4.38Å; E423-F489 HydrophobicContact CB-CE2 3.93Å; E423-F489 HydrophobicContact CB-CG 3.68Å; E423-F489 HydrophobicContact CB-CZ 4.3Å; E423-F489 HydrophobicContact CG-CD1 4.37Å; E423-F489 HydrophobicContact CG-CD2 4.35Å; E423-F489 HydrophobicContact CG-CE1 4.25Å; E423-F489 HydrophobicContact CG-CE2 4.24Å; E423-F489 HydrophobicContact CG-CG 4.41Å; E423-F489 HydrophobicContact CG-CZ 4.17Å; I424-F489 HydrophobicContact CG1-CB 3.76Å; W427-F489 AromaticContact CD1-CD2 3.67Å; W427-F489 AromaticContact CD1-CE2 3.58Å; W427-F489 AromaticContact NE1-CE2 3.42Å; K485-F489 HydrophobicContact CB-CD2 4.45Å; K485-F489 HydrophobicContact CB-CE2 4.24Å; K485-F489 HydrophobicContact CD-CE2 4.19Å; K485-F489 WeakPolarHBondContact O-CD2 3.4Å; K485-F489 PolarHBondContact O-N 3.44Å; R486-F489 PolarHBondContact O-N 2.92Å; F489-K492 PolarHBondContact O-N 2.97Å; F489-L493 WeakPolarHBondContact O-CB 3.26Å; F489-L493 PolarHBondContact O-N 3.05Å
490	Q	98	Very high	96.2	Very high	62 Å²	62	71.2 Å²	71.2	29%	0.29	37%	0.374	S	S	.	.	H	α-helix	trans	-59.2	-46.9	169	-78.2	174.1	-26.1	0	0	111.3	I424 R486 L487 K492 L493 E494	I424-Q490 HydrophobicContact CD1-CB 4.4Å; I424-Q490 HydrophobicContact CD1-CG 3.8Å; I424-Q490 HydrophobicContact CG1-CG 3.9Å; I424-Q490 HydrophobicContact CG2-CG 4.03Å; R486-Q490 HydrophobicContact CG-CG 4.44Å; R486-Q490 WeakPolarHBondContact O-CB 3.45Å; R486-Q490 VanDerWaalsContact O-CG 3.3Å; R486-Q490 WeakPolarHBondContact O-CG 3.41Å; R486-Q490 PolarHBondContact O-N 3.39Å; L487-Q490 PolarHBondContact O-N 3.42Å; Q490-K492 PolarHBondContact O-N 3.21Å; Q490-L493 PolarHBondContact O-N 3.15Å; Q490-E494 WeakPolarHBondContact O-CG 3.14Å; Q490-E494 PolarHBondContact O-N 3.16Å
491	K	97.9	Very high	95.3	Very high	118 Å²	118	76.7 Å²	76.7	51%	0.513	39%	0.392	S	S	.	.	H	α-helix	trans	-60.5	-44.4	175.7	-178.8	176.6	173.6	178.8	0	112.2	L487 H488 L493 E494 E495	L487-K491 PolarHBondContact O-N 3.38Å; H488-K491 PolarHBondContact O-N 2.96Å; K491-L493 VanDerWaalsContact C-N 3.3Å; K491-L493 PolarHBondContact O-N 2.95Å; K491-E494 PolarHBondContact O-N 3.22Å; K491-E495 WeakPolarHBondContact CE-OE1 3.06Å; K491-E495 HydrophobicContact CG-CG 4.37Å; K491-E495 IonicContact NZ-OE1 3.66Å; K491-E495 WeakPolarHBondContact O-CB 3.48Å; K491-E495 VanDerWaalsContact O-CG 3.29Å; K491-E495 WeakPolarHBondContact O-CG 3.22Å; K491-E495 PolarHBondContact O-N 2.97Å
492	K	96.8	Very high	94.1	Very high	71 Å²	71	78.6 Å²	78.6	31%	0.309	40%	0.399	S	S	.	.	H	α-helix	trans	-58.7	-40.8	176.3	-73.6	-73.1	-173.8	175.3	0	112.6	W420 H488 F489 Q490 G496 A497	W420-K492 HydrophobicContact CD2-CB 4.11Å; W420-K492 HydrophobicContact CE3-CB 4.28Å; H488-K492 WeakPolarHBondContact O-CG 3.36Å; H488-K492 PolarHBondContact O-N 2.94Å; H488-K492 VanDerWaalsContact O-N 3.09Å; F489-K492 PolarHBondContact O-N 2.97Å; Q490-K492 PolarHBondContact O-N 3.21Å; K492-G496 PolarHBondContact O-N 3.13Å; K492-A497 HydrophobicContact CB-CB 4.33Å; K492-A497 HydrophobicContact CD-CB 3.74Å; K492-A497 WeakPolarHBondContact O-CB 3.18Å; K492-A497 PolarHBondContact O-N 3.04Å
493	L	96.7	Very high	92.7	Very high	63 Å²	63	84.7 Å²	84.7	33%	0.33	43%	0.428	S	S	.	.	H	α-helix	trans	-66.4	-46.2	176.7	179.8	60	0	0	0	111.6	W420 E421 I424 F489 Q490 K491 E495 G496	W420-L493 HydrophobicContact CB-CB 3.98Å; W420-L493 HydrophobicContact CB-CD1 4.21Å; E421-L493 HydrophobicContact CG-CD2 4.04Å; E421-L493 WeakPolarHBondContact OE1-CD1 3.35Å; I424-L493 HydrophobicContact CD1-CB 4.19Å; I424-L493 HydrophobicContact CD1-CD2 3.71Å; F489-L493 WeakPolarHBondContact O-CB 3.26Å; F489-L493 PolarHBondContact O-N 3.05Å; Q490-L493 PolarHBondContact O-N 3.15Å; K491-L493 VanDerWaalsContact C-N 3.3Å; K491-L493 PolarHBondContact O-N 2.95Å; L493-E495 VanDerWaalsContact C-N 3.3Å; L493-E495 PolarHBondContact O-N 3.09Å; L493-G496 PolarHBondContact O-N 3.21Å; L493-G496 VanDerWaalsContact O-N 3.1Å
494	E	96.8	Very high	90.8	Very high	162 Å²	162	86.1 Å²	86.1	76%	0.757	44%	0.439	S	S	*	.	H	α-helix	trans	-62.5	-35.3	177.7	-72.3	171.9	-174.4	0	0	112.7	Q490 K491 G496	Q490-E494 WeakPolarHBondContact O-CG 3.14Å; Q490-E494 PolarHBondContact O-N 3.16Å; K491-E494 PolarHBondContact O-N 3.22Å; E494-G496 VanDerWaalsContact C-N 3.25Å; E494-G496 PolarHBondContact O-N 2.93Å
495	E	97	Very high	88.8	Confident	117 Å²	117	84.8 Å²	84.8	55%	0.547	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-8	176.4	-71.3	174.9	168.2	0	0	113.4	K491 L493 A497	K491-E495 WeakPolarHBondContact CE-OE1 3.06Å; K491-E495 HydrophobicContact CG-CG 4.37Å; K491-E495 IonicContact NZ-OE1 3.66Å; K491-E495 WeakPolarHBondContact O-CB 3.48Å; K491-E495 VanDerWaalsContact O-CG 3.29Å; K491-E495 WeakPolarHBondContact O-CG 3.22Å; K491-E495 PolarHBondContact O-N 2.97Å; L493-E495 VanDerWaalsContact C-N 3.3Å; L493-E495 PolarHBondContact O-N 3.09Å; E495-A497 PolarHBondContact O-N 2.82Å
496	G	94.9	Very high	86.7	Confident	61 Å²	61	83 Å²	83	63%	0.629	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	32.5	-174.8	0	0	0	0	0	112.8	K492 L493 E494	K492-G496 PolarHBondContact O-N 3.13Å; L493-G496 PolarHBondContact O-N 3.21Å; L493-G496 VanDerWaalsContact O-N 3.1Å; E494-G496 VanDerWaalsContact C-N 3.25Å; E494-G496 PolarHBondContact O-N 2.93Å
497	A	95.3	Very high	84.5	Confident	20 Å²	20	84.1 Å²	84.1	17%	0.165	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-61.2	136	-177.8	0	0	0	0	0	110.8	W420 K492 E495	W420-A497 HydrophobicContact CZ2-CB 4.38Å; W420-A497 PolarHBondContact NE1-O 2.8Å; K492-A497 HydrophobicContact CB-CB 4.33Å; K492-A497 HydrophobicContact CD-CB 3.74Å; K492-A497 WeakPolarHBondContact O-CB 3.18Å; K492-A497 PolarHBondContact O-N 3.04Å; E495-A497 PolarHBondContact O-N 2.82Å
498	P	93.9	Very high	82	Confident	117 Å²	117	82.7 Å²	82.7	76%	0.76	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-66	141.9	177.5	28.1	-34.2	0	0	0	110.6
499	L	92.4	Very high	79.4	Confident	62 Å²	62	82.8 Å²	82.8	33%	0.325	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-68.4	136.1	173.2	-77.9	163.6	0	0	0	110.1	P417 W420 H501	P417-L499 HydrophobicContact CG-CD2 3.81Å; W420-L499 HydrophobicContact CD2-CD2 3.84Å; W420-L499 HydrophobicContact CE3-CD2 4.22Å; W420-L499 HydrophobicContact CG-CD2 4.31Å; W420-L499 HydrophobicContact CH2-CD2 4.26Å; W420-L499 HydrophobicContact CZ2-CD2 3.88Å; W420-L499 HydrophobicContact CZ2-CG 4.41Å; W420-L499 HydrophobicContact CZ3-CD2 4.42Å; L499-H501 PolarHBondContact O-CE1 3.33Å; L499-H501 PolarHBondContact O-N 2.81Å; L499-H501 PolarHBondContact O-ND1 3.23Å
500	P	88.8	Confident	76.9	Confident	59 Å²	59	85.1 Å²	85.1	38%	0.383	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-56.3	132.9	168.9	-24.3	35.5	0	0	0	110.4	E415 F416 W420	E415-P500 WeakPolarHBondContact O-CB 3.33Å; E415-P500 WeakPolarHBondContact O-CG 3.5Å; F416-P500 HydrophobicContact CD1-CB 4.21Å; W420-P500 HydrophobicContact CH2-CG 4.49Å
501	H	77	Confident	74.3	Confident	153 Å²	153	88.5 Å²	88.5	71%	0.708	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-102.3	137.1	176.2	-75.9	59.6	0	0	0	109.2	L499	L499-H501 PolarHBondContact O-CE1 3.33Å; L499-H501 PolarHBondContact O-N 2.81Å; L499-H501 PolarHBondContact O-ND1 3.23Å
502	F	70.6	Confident	71.3	Confident	49 Å²	49	89 Å²	89	22%	0.215	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-85.8	121.7	173.2	179.8	-100	0	0	0	109.1	N406 T410 F416 D506 I507 L510	N406-F502 HydrophobicContact CB-CE1 4.35Å; T410-F502 HydrophobicContact CG2-CB 4.17Å; T410-F502 HydrophobicContact CG2-CD1 4.21Å; T410-F502 HydrophobicContact CG2-CD2 3.49Å; T410-F502 VanDerWaalsContact CG2-CD2 3.49Å; T410-F502 HydrophobicContact CG2-CE2 3.84Å; T410-F502 HydrophobicContact CG2-CG 3.69Å; T410-F502 HydrophobicContact CG2-CZ 4.33Å; F416-F502 HydrophobicContact CD1-CB 4.05Å; F416-F502 HydrophobicContact CD2-CD2 4.28Å; F416-F502 HydrophobicContact CE1-CB 4.08Å; F416-F502 HydrophobicContact CE1-CD2 4.2Å; F416-F502 AromaticContact CE2-CD2 3.95Å; F416-F502 HydrophobicContact CE2-CD2 3.95Å; F416-F502 AromaticContact CZ-CD2 3.9Å; F416-F502 HydrophobicContact CZ-CD2 3.9Å; F502-D506 HydrophobicContact CD2-CB 4.2Å; F502-D506 HydrophobicContact CE2-CB 3.89Å; F502-I507 HydrophobicContact CE1-CG1 4.37Å; F502-I507 HydrophobicContact CZ-CG1 3.83Å; F502-L510 HydrophobicContact CE2-CD1 3.72Å; F502-L510 HydrophobicContact CZ-CD1 4.09Å
503	E	68.3	Low	68.4	Low	129 Å²	129	91.1 Å²	91.1	60%	0.603	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-102.1	144.6	171.8	-65.3	-170.9	174.7	0	0	109.7	S505 D506	E503-S505 PolarHBondContact O-N 2.93Å; E503-D506 PolarHBondContact N-OD2 2.96Å; E503-D506 WeakPolarHBondContact O-CB 3.35Å; E503-D506 PolarHBondContact O-N 2.79Å
504	E	57.8	Low	65.5	Low	137 Å²	137	95.2 Å²	95.2	64%	0.64	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-61.6	-19.6	-177.8	-74.5	-178.2	163.6	0	0	113.5	N406 D506 I507	N406-E504 PolarHBondContact ND2-OE1 3.01Å; N406-E504 VanDerWaalsContact ND2-OE1 3.09Å; E504-D506 PolarHBondContact O-N 3.02Å; E504-I507 HydrophobicContact CB-CD1 4.44Å; E504-I507 WeakPolarHBondContact O-CB 3.4Å; E504-I507 WeakPolarHBondContact O-CG1 3.25Å; E504-I507 PolarHBondContact O-N 3.25Å
505	S	54.8	Low	62.4	Low	77 Å²	77	94.3 Å²	94.3	54%	0.538	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-64	-21.6	169.3	47.7	0	0	0	0	113.7	E503 I507 A508	E503-S505 PolarHBondContact O-N 2.93Å; S505-I507 PolarHBondContact O-N 2.94Å; S505-A508 PolarHBondContact O-N 3.47Å
506	D	52.8	Low	59.5	Low	40 Å²	40	95.8 Å²	95.8	21%	0.214	54%	0.536	C	S	.	.	G	3₁₀ helix	trans	-75	-11.6	179.3	-57.7	-32.5	0	0	0	112.3	F502 E503 E504 A508 L509 L510	F502-D506 HydrophobicContact CD2-CB 4.2Å; F502-D506 HydrophobicContact CE2-CB 3.89Å; E503-D506 PolarHBondContact N-OD2 2.96Å; E503-D506 WeakPolarHBondContact O-CB 3.35Å; E503-D506 PolarHBondContact O-N 2.79Å; E504-D506 PolarHBondContact O-N 3.02Å; D506-A508 PolarHBondContact O-N 3.45Å; D506-L509 WeakPolarHBondContact O-CB 3.35Å; D506-L509 PolarHBondContact O-N 3.09Å; D506-L509 VanDerWaalsContact O-N 3.11Å; D506-L510 PolarHBondContact O-N 3.1Å
507	I	51.3	Low	56.6	Low	70 Å²	70	96.7 Å²	96.7	36%	0.359	54%	0.538	S	S	.	.	H	α-helix	trans	-61.2	-35.3	171.6	-62.7	172.5	0	0	0	110.7	F502 E504 S505 L509 L510 E511	F502-I507 HydrophobicContact CE1-CG1 4.37Å; F502-I507 HydrophobicContact CZ-CG1 3.83Å; E504-I507 HydrophobicContact CB-CD1 4.44Å; E504-I507 WeakPolarHBondContact O-CB 3.4Å; E504-I507 WeakPolarHBondContact O-CG1 3.25Å; E504-I507 PolarHBondContact O-N 3.25Å; S505-I507 PolarHBondContact O-N 2.94Å; I507-L509 PolarHBondContact O-N 3Å; I507-L510 PolarHBondContact O-N 3.13Å; I507-E511 PolarHBondContact O-N 3.17Å
508	A	46.3	Very low	53.6	Low	58 Å²	58	105.6 Å²	105.6	48%	0.479	57%	0.573	S	S	.	*	H	α-helix	trans	-69.2	-20.4	177.4	0	0	0	0	0	113.2	S505 D506 N512	S505-A508 PolarHBondContact O-N 3.47Å; D506-A508 PolarHBondContact O-N 3.45Å; A508-N512 PolarHBondContact O-ND2 3.29Å
509	L	42.8	Very low	50.6	Low	96 Å²	96	106.9 Å²	106.9	50%	0.503	57%	0.572	S	S	.	*	H	α-helix	trans	-84.5	-30.9	174	-81.2	156.1	0	0	0	112	D506 I507 E511 N512 N513	D506-L509 WeakPolarHBondContact O-CB 3.35Å; D506-L509 PolarHBondContact O-N 3.09Å; D506-L509 VanDerWaalsContact O-N 3.11Å; I507-L509 PolarHBondContact O-N 3Å; L509-E511 VanDerWaalsContact C-N 3.32Å; L509-N512 PolarHBondContact O-N 3.24Å; L509-N513 PolarHBondContact O-N 3.1Å; L509-N513 VanDerWaalsContact O-N 3.15Å
510	L	44.5	Very low	47.5	Very low	66 Å²	66	108.8 Å²	108.8	35%	0.346	59%	0.588	S	S	.	*	H	α-helix	trans	-71.8	-23.5	175.8	-73.9	155	0	0	0	113.3	F409 F502 D506 I507	F409-L510 HydrophobicContact CD1-CD1 4.01Å; F409-L510 HydrophobicContact CE1-CB 4.39Å; F409-L510 HydrophobicContact CE1-CD1 3.6Å; F409-L510 HydrophobicContact CE1-CD2 4.23Å; F409-L510 HydrophobicContact CE1-CG 4.28Å; F502-L510 HydrophobicContact CE2-CD1 3.72Å; F502-L510 HydrophobicContact CZ-CD1 4.09Å; D506-L510 PolarHBondContact O-N 3.1Å; I507-L510 PolarHBondContact O-N 3.13Å
511	E	43.3	Very low	44.8	Very low	133 Å²	133	113.1 Å²	113.1	62%	0.621	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-13.5	171.4	-70.3	-174.5	167	0	0	113.2	I507 L509	I507-E511 PolarHBondContact O-N 3.17Å; L509-E511 VanDerWaalsContact C-N 3.32Å
512	N	34.9	Very low	42.9	Very low	128 Å²	128	112 Å²	112	68%	0.684	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	-3.2	-170.1	-76.2	-51.6	0	0	0	115.9	A508 L509	A508-N512 PolarHBondContact O-ND2 3.29Å; L509-N512 PolarHBondContact O-N 3.24Å
513	N	35.8	Very low	41	Very low	116 Å²	116	116.5 Å²	116.5	62%	0.62	63%	0.63	S	S	*	*	S	Bend	trans	-110.5	119.3	171.7	-75.1	-22.4	0	0	0	109.7	L509	L509-N513 PolarHBondContact O-N 3.1Å; L509-N513 VanDerWaalsContact O-N 3.15Å
514	D	35.3	Very low	39.2	Very low	149 Å²	149	120.3 Å²	120.3	80%	0.797	64%	0.639	S	S	*	*			trans	73.8	95.2	-176.9	-65.9	-25.2	0	0	0	116.9	D516	D514-D516 PolarHBondContact O-N 3.41Å
515	T	32.7	Very low	38	Very low	144 Å²	144	122.1 Å²	122.1	88%	0.883	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	8.4	165.6	40.2	0	0	0	0	115
516	D	35.1	Very low	36.8	Very low	147 Å²	147	125.7 Å²	125.7	79%	0.786	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.5	12.3	-169.3	-98	-11.7	0	0	0	116.5	D514	D514-D516 PolarHBondContact O-N 3.41Å
517	A	35.1	Very low	35.7	Very low	80 Å²	80	133 Å²	133	66%	0.661	69%	0.69	S	S	*	*			trans	-140.9	75.8	171.1	0	0	0	0	0	112.4	L519	A517-L519 PolarHBondContact O-N 2.95Å
518	K	31.8	Very low	34.9	Very low	208 Å²	208	137.9 Å²	137.9	90%	0.904	71%	0.711	S	S	*	*			trans	-68.5	96.8	167.6	-75.9	-176.6	178.9	175.6	0	110
519	L	30.9	Very low	34	Very low	143 Å²	143	140.6 Å²	140.6	75%	0.749	72%	0.722	S	S	*	*			trans	-59.8	140	158.6	-81.7	157.5	0	0	0	109.2	A517 I521	A517-L519 PolarHBondContact O-N 2.95Å; L519-I521 PolarHBondContact O-N 3.13Å
520	P	28.4	Very low	33.5	Very low	102 Å²	102	145 Å²	145	66%	0.662	74%	0.74	S	S	*	*			trans	-61.9	122.3	176.6	-18.6	30	0	0	0	110.7	I522	P520-I522 VanDerWaalsContact C-N 3.35Å; P520-I522 PolarHBondContact O-N 2.69Å
521	I	31.6	Very low	32.6	Very low	150 Å²	150	150.9 Å²	150.9	77%	0.769	76%	0.763	S	S	*	*			trans	-71.7	91.6	173.3	-59.3	170.2	0	0	0	107.9	L519	L519-I521 PolarHBondContact O-N 3.13Å
522	I	37.4	Very low	32	Very low	131 Å²	131	147.9 Å²	147.9	67%	0.672	77%	0.767	S	S	*	*			trans	-121	92.6	158.5	-57.9	176.5	0	0	0	105.8	P520	P520-I522 VanDerWaalsContact C-N 3.35Å; P520-I522 PolarHBondContact O-N 2.69Å
523	L	30.6	Very low	31.5	Very low	142 Å²	142	149.4 Å²	149.4	74%	0.743	78%	0.775	S	S	*	*	S	Bend	trans	170.8	43.6	151.6	-90.3	164.2	0	0	0	111.8	L526	L523-L526 HydrophobicContact CD2-CD1 4.21Å
524	R	30.6	Very low	31.1	Very low	209 Å²	209	153 Å²	153	79%	0.789	79%	0.788	S	S	*	*	S	Bend	trans	-125.4	27.4	166.3	-97.7	-169.6	-177	165	6.3	113.8
525	K	31.6	Very low	30.5	Very low	175 Å²	175	153.2 Å²	153.2	76%	0.761	79%	0.789	S	S	*	*			trans	-135.3	56.9	170.4	-76	-164.6	176.6	-176.1	0	112.3
526	L	29.7	Very low	30.2	Very low	152 Å²	152	155 Å²	155	80%	0.796	79%	0.787	S	S	*	*	S	Bend	trans	-126.3	9.3	167.4	-91	167.9	0	0	0	114.6	L523	L523-L526 HydrophobicContact CD2-CD1 4.21Å
527	E	30.7	Very low	29.6	Very low	194 Å²	194	154 Å²	154	91%	0.907	79%	0.786	S	S	*	*	S	Bend	trans	-119.2	-5.8	171.6	-71.8	-171.3	157.1	0	0	115.1
528	E	33.5	Very low	29	Very low	173 Å²	173	159.1 Å²	159.1	81%	0.808	80%	0.796	S	S	*	*	S	Bend	trans	-146	91.5	172.7	-67.3	-173.7	168.4	0	0	110.5
529	V	28.5	Very low	28.7	Very low	114 Å²	114	156.2 Å²	156.2	69%	0.691	79%	0.786	S	S	*	*			trans	-174.3	84.7	135.2	-178.5	0	0	0	0	106.7	K531	V529-K531 WeakPolarHBondContact CG1-O 3.25Å
530	E	30.9	Very low	28.3	Very low	190 Å²	190	155.6 Å²	155.6	89%	0.888	79%	0.79	S	S	*	*			trans	-74.5	120.5	141.8	-88.8	-168.8	157.9	0	0	106.8
531	K	27.1	Very low	28.2	Very low	189 Å²	189	158.6 Å²	158.6	82%	0.822	80%	0.8	S	S	*	*	S	Bend	trans	121.2	105.4	165.8	-69.3	176.3	-179.5	177.7	0	114	V529	V529-K531 WeakPolarHBondContact CG1-O 3.25Å
532	G	30.1	Very low	28	Very low	69 Å²	69	159.3 Å²	159.3	71%	0.711	80%	0.804	S	S	*	*			trans	20.2	109.7	153.6	0	0	0	0	0	119.1
533	D	25	Very low	27.4	Very low	161 Å²	161	160.2 Å²	160.2	86%	0.861	81%	0.811	S	S	*	*				-167.6	140.5	116.8	-96.9	-22.8	0	0	0	109.3	L535	D533-L535 PolarHBondContact O-N 2.72Å
534	E	26.7	Very low	27.4	Very low	192 Å²	192	157.5 Å²	157.5	90%	0.897	82%	0.817	S	S	*	*			trans	-70.6	116.4	179.8	-70	179.5	157.8	0	0	110.6
535	L	23.6	Very low	27.2	Very low	153 Å²	153	156.1 Å²	156.1	80%	0.801	82%	0.82	S	S	*	*			trans	-113.1	109.4	169.3	-88	155.3	0	0	0	109	D533	D533-L535 PolarHBondContact O-N 2.72Å
536	Q	24.4	Very low	26.9	Very low	181 Å²	181	158.2 Å²	158.2	85%	0.846	83%	0.829	S	S	*	*			trans	-80.3	121.5	167.2	-71.8	-179.7	1.2	0	0	108.8
537	V	23.3	Very low	26.5	Very low	127 Å²	127	156.3 Å²	156.3	77%	0.77	82%	0.823	S	S	*	*			trans	-109.7	113.3	173.2	-178.6	0	0	0	0	107.1
538	E	23.8	Very low	26.1	Very low	187 Å²	187	152.5 Å²	152.5	87%	0.874	82%	0.818	S	S	*	*			trans	-98.6	125.1	171.3	-75.5	-169.9	150	0	0	109.7
539	E	24.8	Very low	25.6	Very low	146 Å²	146	153.3 Å²	153.3	68%	0.682	82%	0.819	S	S	*	*			trans	-86.6	147.6	169.9	-78.2	-175.9	155.7	0	0	111.5	L541	E539-L541 PolarHBondContact O-N 3.31Å
540	P	23.1	Very low	25.2	Very low	131 Å²	131	151.7 Å²	151.7	85%	0.851	83%	0.826	S	S	*	*			trans	-82	111.5	-179.6	31.6	-30.5	0	0	0	111.6
541	L	26.1	Very low	24.9	Very low	164 Å²	164	149.1 Å²	149.1	86%	0.859	82%	0.824	S	S	*	*			trans	-93.1	111	173.8	-76.5	162.3	0	0	0	111.4	E539 N543	E539-L541 PolarHBondContact O-N 3.31Å; L541-N543 PolarHBondContact O-N 3.07Å
542	L	26.2	Very low	24.7	Very low	165 Å²	165	149.5 Å²	149.5	86%	0.864	83%	0.828	S	S	*	*	S	Bend	trans	-76	91.1	160.1	-85.3	156.3	0	0	0	109.2
543	N	25.6	Very low	24.5	Very low	150 Å²	150	156.1 Å²	156.1	80%	0.802	84%	0.837	S	S	*	*	S	Bend	trans	146.1	109.1	152.5	-79.8	-23.2	0	0	0	109.7	L541 E545	L541-N543 PolarHBondContact O-N 3.07Å; N543-E545 PolarHBondContact O-N 2.72Å; N543-E545 VanDerWaalsContact O-N 3.1Å
544	G	30.4	Very low	24.4	Very low	86 Å²	86	156.4 Å²	156.4	89%	0.887	84%	0.837	S	S	*	*			trans	-74.6	95.7	179	0	0	0	0	0	112.5
545	E	25.8	Very low	24.3	Very low	180 Å²	180	155.7 Å²	155.7	84%	0.841	83%	0.834	S	S	*	*			trans	-140.4	109	152	-72.1	-167.2	155.4	0	0	109.3	N543	N543-E545 PolarHBondContact O-N 2.72Å; N543-E545 VanDerWaalsContact O-N 3.1Å
546	K	24.7	Very low	24.3	Very low	218 Å²	218	157.6 Å²	157.6	95%	0.948	84%	0.839	S	S	*	*			trans	-84.3	115.8	169.6	-85.3	-174.9	175.6	-180	0	109
547	V	22.4	Very low	24.3	Very low	112 Å²	112	155 Å²	155	68%	0.679	84%	0.835	S	S	*	*			trans	-103.6	113.2	162.8	-176.7	0	0	0	0	107.6	F549	V547-F549 HydrophobicContact CG1-CD2 4.04Å; V547-F549 HydrophobicContact CG1-CE2 3.74Å
548	S	21.9	Very low	24.5	Very low	115 Å²	115	154.3 Å²	154.3	80%	0.804	84%	0.836	S	S	*	*			trans	-86.1	126.8	175.1	55.1	0	0	0	0	110.7
549	F	23.1	Very low	24.4	Very low	189 Å²	189	156.4 Å²	156.4	83%	0.829	84%	0.835	S	S	*	*			trans	-115.4	115.8	160.5	-83.7	-82.3	0	0	0	108.3	V547	V547-F549 HydrophobicContact CG1-CD2 4.04Å; V547-F549 HydrophobicContact CG1-CE2 3.74Å
550	G	21.2	Very low	24.3	Very low	81 Å²	81	156.6 Å²	156.6	84%	0.835	84%	0.841	S	S	*	*			trans	-72.3	136.5	176.1	0	0	0	0	0	111.2
551	T	24.5	Very low	24.4	Very low	136 Å²	136	155.8 Å²	155.8	83%	0.834	83%	0.834	S	S	*	*			trans	-118	114.7	168.6	26.3	0	0	0	0	108.5
552	E	22.9	Very low	24.2	Very low	196 Å²	196	154.4 Å²	154.4	92%	0.916	83%	0.832	S	S	*	*			trans	-69.7	125.3	172.1	-72.1	178.6	151.3	0	0	109.7	I554	E552-I554 PolarHBondContact O-N 3.16Å
553	K	24.1	Very low	24.2	Very low	208 Å²	208	151.9 Å²	151.9	90%	0.904	83%	0.829	S	S	*	*			trans	-79.1	114.4	172.7	-79.5	-178.7	174.2	179.4	0	109.7
554	I	23	Very low	24.2	Very low	167 Å²	167	152 Å²	152	86%	0.856	82%	0.824	S	S	*	*			trans	-81.9	113	164	-64	173.7	0	0	0	107.6	E552	E552-I554 PolarHBondContact O-N 3.16Å
555	Q	25.3	Very low	24	Very low	178 Å²	178	157.4 Å²	157.4	83%	0.832	82%	0.818	S	S	*	*			trans	-94.2	109.8	177.3	-134.9	170.5	9.7	0	0	109.2
556	Q	23.3	Very low	24	Very low	193 Å²	193	157.4 Å²	157.4	90%	0.902	82%	0.82	S	S	*	*			trans	-71.4	122.4	163.2	-95.2	177.7	-26.7	0	0	108.7
557	V	25.6	Very low	24	Very low	125 Å²	125	150.4 Å²	150.4	76%	0.758	81%	0.81	S	S	*	*			trans	-122.4	120.9	166.4	-179.4	0	0	0	0	108.9
558	S	25.6	Very low	24.3	Very low	113 Å²	113	153.8 Å²	153.8	79%	0.79	82%	0.818	S	S	*	*			trans	-59.6	139.7	175	-170.6	0	0	0	0	111.9
559	R	22.9	Very low	24.5	Very low	231 Å²	231	153.9 Å²	153.9	87%	0.872	81%	0.814	S	S	*	*			trans	-93.6	129.3	170.9	-82.2	177.7	169.6	166.4	-2.8	109.4
560	D	23.3	Very low	24.7	Very low	151 Å²	151	154 Å²	154	81%	0.807	82%	0.817	S	S	*	*			trans	-158.2	108.7	143.7	-92.7	-28	0	0	0	107.1
561	V	24.1	Very low	24.9	Very low	114 Å²	114	154.4 Å²	154.4	69%	0.691	81%	0.812	S	S	*	*				106.9	130.9	80.9	162.9	0	0	0	0	111.1
562	T	22.6	Very low	25.7	Very low	134 Å²	134	152.9 Å²	152.9	82%	0.822	81%	0.805	S	S	*	*			trans	80.2	117.1	162	53	0	0	0	0	121.8
563	S	25.3	Very low	26	Very low	113 Å²	113	151.6 Å²	151.6	79%	0.79	80%	0.799	S	S	*	*				154.9	104.1	122.1	-176.2	0	0	0	0	113.1
564	E	25.4	Very low	26.2	Very low	153 Å²	153	148.6 Å²	148.6	72%	0.715	79%	0.792	S	S	*	*			trans	35.9	126.9	139.6	-66.3	-162.2	120.9	0	0	125.7
565	R	26	Very low	26.4	Very low	199 Å²	199	145.7 Å²	145.7	75%	0.751	79%	0.786	S	S	*	*				86.1	118.5	126.1	-78.5	-178.5	-174.3	-142.4	-2.7	122.8
566	M	26.2	Very low	26.7	Very low	180 Å²	180	140.8 Å²	140.8	89%	0.887	78%	0.777	S	S	*	*				91.7	129.5	126.9	-81.8	-173.7	147.1	0	0	121.6
567	G	26	Very low	26.9	Very low	71 Å²	71	138.3 Å²	138.3	73%	0.732	77%	0.769	S	S	*	*			trans	130.7	75.5	150.9	0	0	0	0	0	115.3
568	Q	28.1	Very low	27.2	Very low	182 Å²	182	142 Å²	142	85%	0.85	77%	0.77	S	S	*	*				78.8	106.5	101.8	-95.6	-174.4	-2.2	0	0	118.2
569	T	26.4	Very low	27.3	Very low	117 Å²	117	141.6 Å²	141.6	72%	0.718	76%	0.763	S	S	*	*				59.3	120.2	128	46.2	0	0	0	0	122.5
570	Q	26.8	Very low	27.7	Very low	193 Å²	193	138.1 Å²	138.1	90%	0.902	76%	0.756	S	S	*	*				-179.9	133	95.5	-97.9	179.3	-0.1	0	0	111.6
571	A	25.4	Very low	28	Very low	88 Å²	88	137.9 Å²	137.9	73%	0.727	76%	0.755	S	S	*	*			trans	-87	-174.7	161.1	0	0	0	0	0	108.5
572	P	42.1	Very low	28.5	Very low	105 Å²	105	140 Å²	140	68%	0.682	76%	0.76	S	S	*	*			cis	-148.2	171	17.9	37.8	-13.7	0	0	0	119
573	E	28.3	Very low	29.7	Very low	168 Å²	168	138.5 Å²	138.5	79%	0.785	75%	0.753	S	S	*	*			trans	50.8	130.8	136.6	-67.2	173.9	168.5	0	0	123.5
574	L	28.5	Very low	30.2	Very low	146 Å²	146	141.7 Å²	141.7	76%	0.764	75%	0.753	S	S	*	*				167.6	112.4	101.7	-84.4	170.4	0	0	0	108.1
575	S	27.6	Very low	30.7	Very low	105 Å²	105	142.2 Å²	142.2	73%	0.734	76%	0.755	S	S	*	*				59.7	132.9	98.3	88.7	0	0	0	0	113.5
576	A	30.8	Very low	31.1	Very low	76 Å²	76	139.7 Å²	139.7	63%	0.628	76%	0.757	S	S	*	*			cis	-169.5	158.2	11.6	0	0	0	0	0	108.3
577	N	28.7	Very low	31.8	Very low	140 Å²	140	136.7 Å²	136.7	75%	0.749	75%	0.753	S	S	*	*				43.6	136.7	129.9	-68.6	-15.7	0	0	0	119.1
578	R	30.8	Very low	32.5	Very low	204 Å²	204	146 Å²	146	77%	0.77	78%	0.778	S	S	*	*			cis	173.3	151.3	20.8	-126.6	-179	-178	177.7	-2.1	106.6
579	T	29.1	Very low	32.7	Very low	104 Å²	104	144.3 Å²	144.3	64%	0.638	77%	0.774	S	S	*	*			trans	43.9	144.3	141.1	51.3	0	0	0	0	119.7
580	E	30.8	Very low	33	Very low	158 Å²	158	145.7 Å²	145.7	74%	0.738	78%	0.777	S	S	*	*			cis	-176.8	173.3	11.5	-117.1	162.9	-174.4	0	0	106.4
581	D	29	Very low	33.4	Very low	146 Å²	146	143.1 Å²	143.1	78%	0.781	77%	0.771	S	S	*	*			trans	84.2	101.2	151.6	-62.8	-17.6	0	0	0	122.6
582	I	35.7	Very low	33.8	Very low	157 Å²	157	146.3 Å²	146.3	81%	0.805	77%	0.773	S	S	*	*			trans	-48.9	155.6	138.8	-61.2	159.8	0	0	0	109.4
583	P	47.9	Very low	33.3	Very low	103 Å²	103	148.9 Å²	148.9	67%	0.669	78%	0.779	S	S	*	*			cis	-149	-179.3	39.8	16.1	13.9	0	0	0	119.5
584	K	35.4	Very low	33.6	Very low	180 Å²	180	147.6 Å²	147.6	78%	0.783	78%	0.778	S	S	*	*			trans	77.4	147.1	154.2	-77	167	-176.8	-165.4	0	115.7
585	E	34.7	Very low	34	Very low	164 Å²	164	147.7 Å²	147.7	77%	0.766	78%	0.779	S	S	*	*			cis	-163.1	173.7	24.1	-138.1	158.1	-152	0	0	111.1
586	N	35.4	Very low	34.5	Very low	147 Å²	147	151 Å²	151	79%	0.786	78%	0.783	S	S	*	*			trans	-56.4	174.5	179.7	-72	-39	0	0	0	117.8
587	S	39.8	Very low	34.8	Very low	116 Å²	116	157.3 Å²	157.3	81%	0.811	80%	0.796	S	S	*	*			trans	73.6	131	162.1	47.8	0	0	0	0	115.8
588	E	40.8	Very low	35.4	Very low	268 Å²	268	158.8 Å²	158.8	100%	1.252	80%	0.8	S	S	*	*			cis	-129.9	0	29.7	-76.6	173.6	149.1	0	0	114.9

Retrieved 588 of 588 residues in 258 ms (Link to these results)

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