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Methylmalonate-semialdehyde/malonate-semialdehyde dehydrogenase [acylating], mitochondrial

Malonate and methylmalonate semialdehyde dehydrogenase involved in the catabolism of valine, thymine, and compounds catabolized by way of beta-alanine, including uracil and cytidine.

AlphaFold DB , UniProt , Accession A0A060WPT0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110497902, Length 525 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	36.8	Very low	30.8	Very low	240 Å²	240	158.8 Å²	158.8	100%	1.182	84%	0.843	S	S	*	*				0	99.5	0	-65.4	-175.2	-171	0	0	106
2	A	28.3	Very low	30.8	Very low	89 Å²	89	162.6 Å²	162.6	74%	0.736	85%	0.847	S	S	*	*				54.7	122.4	85.1	0	0	0	0	0	109.9
3	T	31.6	Very low	30.9	Very low	124 Å²	124	156.3 Å²	156.3	76%	0.761	85%	0.846	S	S	*	*			cis	-175.8	128.2	33	-1.3	0	0	0	0	105.4
4	T	36	Very low	30.9	Very low	125 Å²	125	154 Å²	154	77%	0.767	84%	0.839	S	S	*	*				59	122.9	90.2	-36.5	0	0	0	0	115
5	V	32.9	Very low	30.8	Very low	124 Å²	124	151.5 Å²	151.5	75%	0.752	83%	0.834	S	S	*	*				159.4	112.6	114.1	169.3	0	0	0	0	109.9
6	M	28.5	Very low	30.7	Very low	194 Å²	194	152.5 Å²	152.5	96%	0.956	84%	0.836	S	S	*	*				-163.3	119.8	115.1	-109.5	-166.8	179.7	0	0	110.9
7	R	28.1	Very low	30.6	Very low	238 Å²	238	153.2 Å²	153.2	90%	0.898	83%	0.832	S	S	*	*			trans	-98	143.7	176.3	-95.5	179.2	171.6	-178.5	-1.8	110
8	S	28.1	Very low	30.7	Very low	106 Å²	106	151.9 Å²	151.9	74%	0.741	83%	0.83	S	S	*	*			trans	67.9	129.6	139.1	79.5	0	0	0	0	120.6
9	L	27.1	Very low	30.6	Very low	154 Å²	154	154.8 Å²	154.8	81%	0.806	83%	0.827	S	S	*	*			trans	165	119.9	139.7	-87.4	160.3	0	0	0	103.6
10	L	29.8	Very low	30.7	Very low	157 Å²	157	156 Å²	156	82%	0.822	83%	0.827	S	S	*	*			cis	-163.4	145.1	38.6	-89.4	133.9	0	0	0	110.8
11	K	32.2	Very low	30.7	Very low	196 Å²	196	155.3 Å²	155.3	85%	0.852	82%	0.821	S	S	*	*			trans	-60.2	141.9	162.3	-70.8	169.4	170.2	176.6	0	111
12	K	30.5	Very low	30.7	Very low	204 Å²	204	150 Å²	150	89%	0.887	81%	0.806	S	S	*	*			trans	-164.7	103.2	131.2	-103.4	170.9	-171.1	-173.9	0	109
13	G	32	Very low	31.3	Very low	81 Å²	81	154.5 Å²	154.5	84%	0.835	81%	0.805	S	S	*	*			trans	-74.2	127	169.5	0	0	0	0	0	109.9
14	V	30.8	Very low	31.8	Very low	124 Å²	124	154.4 Å²	154.4	75%	0.752	81%	0.809	S	S	*	*			trans	-102.6	126.8	164.3	179.2	0	0	0	0	106	L16	V14-L16 PolarHBondContact O-N 3.01Å
15	P	29.2	Very low	32.7	Very low	117 Å²	117	153.1 Å²	153.1	76%	0.76	81%	0.805	S	S	*	*			trans	-72.1	113.4	175.6	26.9	-25.9	0	0	0	108.2	Q17	P15-Q17 VanDerWaalsContact C-N 3.33Å; P15-Q17 PolarHBondContact O-N 3.27Å
16	L	29.8	Very low	34.9	Very low	167 Å²	167	152.1 Å²	152.1	87%	0.874	80%	0.804	S	S	*	*			trans	-65.7	97.8	165	-96.7	121.3	0	0	0	107.6	V14 V18	V14-L16 PolarHBondContact O-N 3.01Å; L16-V18 PolarHBondContact O-N 2.75Å
17	Q	28	Very low	37.8	Very low	165 Å²	165	145.4 Å²	145.4	77%	0.771	77%	0.774	S	S	*	*			trans	-55.1	107.1	158.7	-108.1	178.3	-8.1	0	0	107.2	P15 R19	P15-Q17 VanDerWaalsContact C-N 3.33Å; P15-Q17 PolarHBondContact O-N 3.27Å; Q17-R19 PolarHBondContact O-N 3.27Å
18	V	32.7	Very low	41	Very low	129 Å²	129	138 Å²	138	78%	0.782	76%	0.757	S	S	*	*			trans	-65.3	90	164.7	-179.6	0	0	0	0	106	L16 H20	L16-V18 PolarHBondContact O-N 2.75Å; V18-H20 PolarHBondContact O-N 3.2Å; V18-H20 VanDerWaalsContact O-N 3.17Å
19	R	28.3	Very low	44.3	Very low	207 Å²	207	135.8 Å²	135.8	78%	0.781	74%	0.739	S	S	*	*			trans	-62.9	114.6	162.5	-77.8	-175.8	172.8	-171.3	-2.6	105.7	Q17 M21	Q17-R19 PolarHBondContact O-N 3.27Å; R19-M21 PolarHBondContact O-N 3.25Å
20	H	33.2	Very low	47.7	Very low	179 Å²	179	129.1 Å²	129.1	83%	0.829	71%	0.705	S	S	*	*			trans	-54.7	97.6	158.5	-84.3	-41.8	0	0	0	107.4	V18 C22	V18-H20 PolarHBondContact O-N 3.2Å; V18-H20 VanDerWaalsContact O-N 3.17Å; H20-C22 VanDerWaalsContact C-N 3.26Å; H20-C22 PolarHBondContact O-N 3.3Å
21	M	31.7	Very low	51	Low	142 Å²	142	125.9 Å²	125.9	70%	0.7	68%	0.684	S	S	*	*			trans	-70.3	94.2	163.7	-119.3	179.3	-102.1	0	0	105.3	R19 Y23	R19-M21 PolarHBondContact O-N 3.25Å; M21-Y23 HydrophobicContact CB-CD2 4.14Å; M21-Y23 HydrophobicContact CB-CE2 4.15Å; M21-Y23 HydrophobicContact CG-CE2 4.2Å; M21-Y23 PolarHBondContact O-N 2.68Å; M21-Y23 HydrophobicContact SD-CE2 3.64Å
22	C	35.3	Very low	54.1	Low	127 Å²	127	116.6 Å²	116.6	86%	0.858	64%	0.643	S	S	*	*			trans	-63.5	86.1	160.9	-90.6	0	0	0	0	107.4	H20 S24	H20-C22 VanDerWaalsContact C-N 3.26Å; H20-C22 PolarHBondContact O-N 3.3Å; C22-S24 VanDerWaalsContact C-N 3.35Å; C22-S24 PolarHBondContact O-N 3.18Å; C22-S24 VanDerWaalsContact O-N 3.12Å
23	Y	40.9	Very low	57.4	Low	184 Å²	184	107.3 Å²	107.3	72%	0.722	60%	0.603	S	S	*	*			trans	-67.2	104.9	153.7	-82	-84.9	0	0	0	105.8	M21 S25	M21-Y23 HydrophobicContact CB-CD2 4.14Å; M21-Y23 HydrophobicContact CB-CE2 4.15Å; M21-Y23 HydrophobicContact CG-CE2 4.2Å; M21-Y23 PolarHBondContact O-N 2.68Å; M21-Y23 HydrophobicContact SD-CE2 3.64Å; Y23-S25 PolarHBondContact O-N 2.59Å
24	S	43.5	Very low	60.6	Low	122 Å²	122	104.4 Å²	104.4	85%	0.853	57%	0.568	S	S	*	*			trans	-64.8	71.6	155.4	168.3	0	0	0	0	107.3	C22 S26	C22-S24 VanDerWaalsContact C-N 3.35Å; C22-S24 PolarHBondContact O-N 3.18Å; C22-S24 VanDerWaalsContact O-N 3.12Å; S24-S26 PolarHBondContact O-N 2.88Å
25	S	53.8	Low	63.8	Low	98 Å²	98	101.8 Å²	101.8	69%	0.685	55%	0.55	S	S	*	.			trans	-72.5	106.5	169.3	55.9	0	0	0	0	106.4	Y23 V27	Y23-S25 PolarHBondContact O-N 2.59Å; S25-V27 PolarHBondContact O-N 3.39Å
26	S	80.3	Confident	67.1	Low	103 Å²	103	96.4 Å²	96.4	72%	0.72	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-49.3	135.9	166.9	50.2	0	0	0	0	109.4	S24	S24-S26 PolarHBondContact O-N 2.88Å
27	V	89.3	Confident	70.3	Confident	53 Å²	53	94.8 Å²	94.8	32%	0.321	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-51.4	128.7	175.7	177	0	0	0	0	109.1	S25 V57 R60	S25-V27 PolarHBondContact O-N 3.39Å; V27-V57 HydrophobicContact CG1-CG1 3.94Å; V27-R60 HydrophobicContact CG1-CG 4.16Å
28	P	95.4	Very high	73.7	Confident	84 Å²	84	90.1 Å²	90.1	55%	0.545	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-57.3	148.8	-179.9	-24.7	33	0	0	0	113.1	A59 R60	P28-A59 CarbonylContact O-C 3.53Å; P28-A59 VanDerWaalsContact O-CA 3.22Å; P28-A59 WeakPolarHBondContact O-CA 3.33Å; P28-R60 PolarHBondContact O-N 2.97Å
29	T	97.1	Very high	76.8	Confident	58 Å²	58	86.6 Å²	86.6	36%	0.356	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-109.1	138.8	175.5	52.8	0	0	0	0	111.7	E40 W46 R60	T29-E40 WeakPolarHBondContact CB-OE1 3.37Å; T29-E40 PolarHBondContact OG1-OE1 2.97Å; T29-W46 HydrophobicContact CG2-CE3 4.11Å; T29-W46 HydrophobicContact CG2-CH2 3.93Å; T29-W46 HydrophobicContact CG2-CZ3 3.63Å; T29-R60 CarbonylContact C-O 3.57Å; T29-R60 WeakPolarHBondContact CA-O 3.15Å; T29-R60 HydrophobicContact CG2-CB 4.49Å
30	T	97.8	Very high	80.1	Confident	15 Å²	15	80.8 Å²	80.8	9%	0.092	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-79.6	125.5	171	-58.8	0	0	0	0	109	R60 V61 P62 P205 M209 H229	T30-R60 PolarHBondContact N-O 3.39Å; T30-V61 HydrophobicContact CG2-CG2 4.09Å; T30-P62 WeakPolarHBondContact O-CD 3.32Å; T30-P205 HydrophobicContact CG2-CB 3.81Å; T30-P205 HydrophobicContact CG2-CG 3.71Å; T30-M209 HydrophobicContact CG2-CG 4.15Å; T30-H229 WeakPolarHBondContact CG2-NE2 3.26Å
31	K	98.4	Very high	83.2	Confident	89 Å²	89	72.8 Å²	72.8	39%	0.387	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-83.8	156.1	179.9	-64.8	-179	178.6	-177	0	111.5	F38 V39 E40 M209 H229	K31-F38 HydrophobicContact CB-CB 4.1Å; K31-F38 HydrophobicContact CB-CD1 4.39Å; K31-F38 HydrophobicContact CD-CB 3.65Å; K31-V39 WeakPolarHBondContact CA-O 3.44Å; K31-V39 WeakPolarHBondContact CB-O 3.27Å; K31-E40 WeakPolarHBondContact CE-OE2 3.2Å; K31-M209 WeakPolarHBondContact O-CE 3.25Å; K31-H229 PolarHBondContact O-NE2 3.5Å
32	L	98.8	Very high	86.3	Confident	0 Å²	0	75 Å²	75	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	160	161.4	-55.8	169.8	0	0	0	109.3	I34 F38 V39 P62 A64 E68 H229	L32-I34 HydrophobicContact CB-CD1 4.17Å; L32-I34 HydrophobicContact CB-CG1 4.21Å; L32-I34 HydrophobicContact CD1-CD1 4.05Å; L32-F38 CarbonylContact O-C 3.11Å; L32-F38 VanDerWaalsContact O-CA 3.3Å; L32-F38 WeakPolarHBondContact O-CA 3.41Å; L32-V39 HydrophobicContact CB-CB 4.4Å; L32-V39 PolarHBondContact N-O 2.79Å; L32-V39 PolarHBondContact O-N 3.41Å; L32-P62 HydrophobicContact CD2-CG 4.25Å; L32-A64 HydrophobicContact CD2-CB 4.02Å; L32-E68 HydrophobicContact CD1-CB 3.86Å; L32-E68 HydrophobicContact CD1-CG 3.94Å; L32-H229 HydrophobicContact CD2-CB 4.49Å
33	F	98.9	Very high	89.3	Confident	9 Å²	9	69.7 Å²	69.7	4%	0.039	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	103.7	168.1	-172.8	-104	0	0	0	108.8	K37 F38 M209 A212 Q216 L225 N226 I227	F33-K37 CarbonylContact C-O 3.54Å; F33-K37 WeakPolarHBondContact CA-O 3.35Å; F33-F38 HydrophobicContact CD2-CD1 4.25Å; F33-F38 HydrophobicContact CD2-CD2 4.11Å; F33-F38 HydrophobicContact CD2-CE1 4.06Å; F33-F38 AromaticContact CD2-CE2 3.88Å; F33-F38 HydrophobicContact CD2-CE2 3.88Å; F33-F38 HydrophobicContact CD2-CG 4.27Å; F33-F38 AromaticContact CD2-CZ 3.84Å; F33-F38 HydrophobicContact CD2-CZ 3.84Å; F33-F38 HydrophobicContact CE2-CD2 4.24Å; F33-F38 AromaticContact CE2-CE2 3.8Å; F33-F38 HydrophobicContact CE2-CE2 3.8Å; F33-F38 HydrophobicContact CE2-CZ 4.05Å; F33-M209 HydrophobicContact CB-CE 3.8Å; F33-A212 HydrophobicContact CD1-CB 4.22Å; F33-A212 HydrophobicContact CD2-CB 4.34Å; F33-A212 HydrophobicContact CE1-CB 4.42Å; F33-A212 HydrophobicContact CG-CB 4.17Å; F33-Q216 HydrophobicContact CZ-CB 4.42Å; F33-L225 HydrophobicContact CD1-CG 4.41Å; F33-L225 WeakPolarHBondContact CD1-O 3.32Å; F33-L225 HydrophobicContact CE1-CB 4.45Å; F33-L225 HydrophobicContact CE1-CG 4.48Å; F33-L225 WeakPolarHBondContact CE1-O 3.37Å; F33-N226 CarbonylContact O-C 3.51Å; F33-N226 WeakPolarHBondContact O-CA 3.5Å; F33-I227 HydrophobicContact CB-CB 3.88Å; F33-I227 HydrophobicContact CB-CD1 4.09Å; F33-I227 HydrophobicContact CB-CG1 4.11Å; F33-I227 PolarHBondContact N-O 2.91Å; F33-I227 VanDerWaalsContact N-O 3.07Å; F33-I227 PolarHBondContact O-N 3.23Å
34	I	98.8	Very high	91.9	Very high	21 Å²	21	66.4 Å²	66.4	11%	0.108	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.1	-175.8	-60	176.5	0	0	0	109.5	L32 G36 K37 V39 A72 N226	L32-I34 HydrophobicContact CB-CD1 4.17Å; L32-I34 HydrophobicContact CB-CG1 4.21Å; L32-I34 HydrophobicContact CD1-CD1 4.05Å; I34-G36 VanDerWaalsContact C-N 3.32Å; I34-G36 PolarHBondContact O-N 3.04Å; I34-K37 PolarHBondContact N-O 2.84Å; I34-K37 PolarHBondContact O-N 2.69Å; I34-V39 HydrophobicContact CB-CG2 4.23Å; I34-A72 HydrophobicContact CD1-CB 4.13Å; I34-A72 HydrophobicContact CG1-CB 4.1Å; I34-N226 WeakPolarHBondContact CA-OD1 3.4Å
35	N	98.4	Very high	94.5	Very high	68 Å²	68	65.6 Å²	65.6	36%	0.364	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	48.8	177.3	-162.5	44.6	0	0	0	113.3	K37 S75 G223 N226	N35-K37 VanDerWaalsContact C-N 3.26Å; N35-K37 PolarHBondContact O-N 3.19Å; N35-S75 WeakPolarHBondContact CA-OG 3.28Å; N35-S75 WeakPolarHBondContact CB-OG 3.35Å; N35-S75 PolarHBondContact OD1-OG 2.7Å; N35-G223 PolarHBondContact OD1-N 2.93Å; N35-N226 PolarHBondContact N-OD1 2.94Å
36	G	97.8	Very high	96.6	Very high	5 Å²	5	64.5 Å²	64.5	5%	0.052	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	14.8	-178.8	0	0	0	0	0	114.6	I34 Q216 D222	I34-G36 VanDerWaalsContact C-N 3.32Å; I34-G36 PolarHBondContact O-N 3.04Å; G36-Q216 PolarHBondContact O-NE2 3.22Å; G36-D222 WeakPolarHBondContact CA-OD1 3.38Å
37	K	98.3	Very high	97.4	Very high	132 Å²	132	61.2 Å²	61.2	57%	0.574	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.1	-177.3	-64.1	179.6	-175.9	176.6	0	111.5	F33 I34 N35 V39	F33-K37 CarbonylContact C-O 3.54Å; F33-K37 WeakPolarHBondContact CA-O 3.35Å; I34-K37 PolarHBondContact N-O 2.84Å; I34-K37 PolarHBondContact O-N 2.69Å; N35-K37 VanDerWaalsContact C-N 3.26Å; N35-K37 PolarHBondContact O-N 3.19Å; K37-V39 HydrophobicContact CB-CG2 4.26Å; K37-V39 PolarHBondContact O-N 3.13Å
38	F	98.6	Very high	97.9	Very high	67 Å²	67	62.1 Å²	62.1	29%	0.294	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	111.1	167.7	-66.8	-92.1	0	0	0	108.9	K31 L32 F33 M209 K213	K31-F38 HydrophobicContact CB-CB 4.1Å; K31-F38 HydrophobicContact CB-CD1 4.39Å; K31-F38 HydrophobicContact CD-CB 3.65Å; L32-F38 CarbonylContact O-C 3.11Å; L32-F38 VanDerWaalsContact O-CA 3.3Å; L32-F38 WeakPolarHBondContact O-CA 3.41Å; F33-F38 HydrophobicContact CD2-CD1 4.25Å; F33-F38 HydrophobicContact CD2-CD2 4.11Å; F33-F38 HydrophobicContact CD2-CE1 4.06Å; F33-F38 AromaticContact CD2-CE2 3.88Å; F33-F38 HydrophobicContact CD2-CE2 3.88Å; F33-F38 HydrophobicContact CD2-CG 4.27Å; F33-F38 AromaticContact CD2-CZ 3.84Å; F33-F38 HydrophobicContact CD2-CZ 3.84Å; F33-F38 HydrophobicContact CE2-CD2 4.24Å; F33-F38 AromaticContact CE2-CE2 3.8Å; F33-F38 HydrophobicContact CE2-CE2 3.8Å; F33-F38 HydrophobicContact CE2-CZ 4.05Å; F38-M209 HydrophobicContact CD1-CE 3.7Å; F38-M209 HydrophobicContact CE1-CB 4.31Å; F38-M209 HydrophobicContact CE1-CE 3.61Å; F38-K213 HydrophobicContact CE2-CB 4.19Å; F38-K213 HydrophobicContact CE2-CD 3.78Å; F38-K213 HydrophobicContact CZ-CB 3.79Å; F38-K213 HydrophobicContact CZ-CD 4.26Å
39	V	98.4	Very high	98	Very high	56 Å²	56	58.1 Å²	58.1	34%	0.339	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.4	-172.5	-179.1	0	0	0	0	109.9	K31 L32 I34 K37	K31-V39 WeakPolarHBondContact CA-O 3.44Å; K31-V39 WeakPolarHBondContact CB-O 3.27Å; L32-V39 HydrophobicContact CB-CB 4.4Å; L32-V39 PolarHBondContact N-O 2.79Å; L32-V39 PolarHBondContact O-N 3.41Å; I34-V39 HydrophobicContact CB-CG2 4.23Å; K37-V39 HydrophobicContact CB-CG2 4.26Å; K37-V39 PolarHBondContact O-N 3.13Å
40	E	97.9	Very high	98	Very high	85 Å²	85	58.8 Å²	58.8	40%	0.397	29%	0.292	S	S	.	.			trans	-70.4	129.7	170.9	-162.1	63.6	-141.3	0	0	109.4	T29 K31	T29-E40 WeakPolarHBondContact CB-OE1 3.37Å; T29-E40 PolarHBondContact OG1-OE1 2.97Å; K31-E40 WeakPolarHBondContact CE-OE2 3.2Å
41	S	98.1	Very high	98.1	Very high	11 Å²	11	59.4 Å²	59.4	8%	0.077	29%	0.294	C	S	.	.			trans	-74	144.4	-179	178.5	0	0	0	0	111.3	S43 P62 E68	S41-S43 VanDerWaalsContact C-N 3.26Å; S41-S43 VanDerWaalsContact OG-CB 3.24Å; S41-S43 WeakPolarHBondContact OG-CB 3.34Å; S41-S43 PolarHBondContact OG-N 2.83Å; S41-P62 VanDerWaalsContact CB-CB 3.43Å; S41-P62 WeakPolarHBondContact OG-CB 3.39Å; S41-E68 WeakPolarHBondContact CA-OE1 3.27Å; S41-E68 VanDerWaalsContact OG-CD 3.28Å; S41-E68 PolarHBondContact OG-OE1 3.03Å; S41-E68 PolarHBondContact OG-OE2 3.08Å
42	K	97.4	Very high	98.1	Very high	189 Å²	189	55.1 Å²	55.1	82%	0.822	28%	0.276	S	S	*	.			trans	-85.9	2.8	170.5	-62.2	-179.6	-177.9	175.8	0	112.5	E68	K42-E68 PolarHBondContact N-OE1 2.88Å
43	S	97.1	Very high	98	Very high	14 Å²	14	55.3 Å²	55.3	10%	0.098	28%	0.277	C	S	.	.			trans	-61.1	140.4	179.6	-170	0	0	0	0	111.8	S41 E45 W46 K63	S41-S43 VanDerWaalsContact C-N 3.26Å; S41-S43 VanDerWaalsContact OG-CB 3.24Å; S41-S43 WeakPolarHBondContact OG-CB 3.34Å; S41-S43 PolarHBondContact OG-N 2.83Å; S43-E45 VanDerWaalsContact C-N 3.33Å; S43-E45 PolarHBondContact OG-N 3.46Å; S43-E45 PolarHBondContact OG-O 3.42Å; S43-E45 VanDerWaalsContact OG-O 3.14Å; S43-W46 PolarHBondContact O-NE1 3.26Å; S43-K63 WeakPolarHBondContact CB-O 3.39Å; S43-K63 PolarHBondContact OG-O 3.43Å
44	S	96.4	Very high	98	Very high	116 Å²	116	56.4 Å²	56.4	81%	0.811	28%	0.284	S	S	*	.	S	Bend	trans	-84.7	-11.5	166.7	53.4	0	0	0	0	112.4
45	E	97.5	Very high	97.9	Very high	104 Å²	104	57.4 Å²	57.4	49%	0.486	29%	0.29	S	S	.	.			trans	-108.1	120.5	-176.9	-70.7	-171	-122.6	0	0	111.5	S43 K63	S43-E45 VanDerWaalsContact C-N 3.33Å; S43-E45 PolarHBondContact OG-N 3.46Å; S43-E45 PolarHBondContact OG-O 3.42Å; S43-E45 VanDerWaalsContact OG-O 3.14Å; E45-K63 HydrophobicContact CB-CB 4.16Å; E45-K63 HydrophobicContact CB-CD 3.98Å; E45-K63 HydrophobicContact CB-CG 4.27Å; E45-K63 PolarHBondContact O-N 3.14Å; E45-K63 WeakPolarHBondContact OE2-CD 3.44Å; E45-K63 IonicContact OE2-NZ 2.64Å; E45-K63 PolarHBondContact OE2-NZ 2.79Å
46	W	97.8	Very high	97.8	Very high	75 Å²	75	60.3 Å²	60.3	28%	0.284	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.9	-177.1	-64.3	80.7	0	0	0	110.1	T29 S43 R60 V61 P62	T29-W46 HydrophobicContact CG2-CE3 4.11Å; T29-W46 HydrophobicContact CG2-CH2 3.93Å; T29-W46 HydrophobicContact CG2-CZ3 3.63Å; S43-W46 PolarHBondContact O-NE1 3.26Å; W46-R60 HydrophobicContact CB-CB 4.35Å; W46-R60 HydrophobicContact CE3-CB 3.97Å; W46-V61 WeakPolarHBondContact CA-O 3.31Å; W46-P62 HydrophobicContact CD2-CB 4.3Å; W46-P62 HydrophobicContact CE3-CB 3.95Å; W46-P62 HydrophobicContact CH2-CB 3.95Å; W46-P62 HydrophobicContact CH2-CG 4.28Å; W46-P62 HydrophobicContact CZ2-CB 4.26Å; W46-P62 HydrophobicContact CZ3-CB 3.78Å; W46-P62 HydrophobicContact CZ3-CG 3.99Å
47	L	97.9	Very high	97.8	Very high	35 Å²	35	62.6 Å²	62.6	18%	0.183	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132	176.3	-59.6	172.2	0	0	0	108.7	R60 V61 K63 E202 Q231	L47-R60 CarbonylContact O-C 3.44Å; L47-R60 VanDerWaalsContact O-CA 3.28Å; L47-R60 WeakPolarHBondContact O-CA 3.3Å; L47-V61 HydrophobicContact CB-CG1 3.82Å; L47-V61 PolarHBondContact N-O 3.45Å; L47-V61 PolarHBondContact O-N 3.45Å; L47-K63 HydrophobicContact CD1-CG 4.14Å; L47-K63 HydrophobicContact CG-CG 4.19Å; L47-E202 HydrophobicContact CD1-CB 4.01Å; L47-E202 HydrophobicContact CD1-CG 3.83Å; L47-Q231 HydrophobicContact CD1-CG 3.73Å
48	D	98.2	Very high	97.8	Very high	71 Å²	71	58.4 Å²	58.4	38%	0.38	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	129	177.4	-71.5	-31.2	0	0	0	110.7	H50 V57 R60	D48-H50 VanDerWaalsContact CB-CE1 3.45Å; D48-H50 WeakPolarHBondContact CB-CE1 3.32Å; D48-H50 PolarHBondContact O-ND1 3.45Å; D48-V57 HydrophobicContact CB-CG1 3.86Å; D48-V57 HydrophobicContact CB-CG2 3.94Å; D48-R60 VanDerWaalsContact OD1-CG 3.32Å; D48-R60 WeakPolarHBondContact OD1-CG 3.5Å; D48-R60 IonicContact OD1-CZ 2.71Å; D48-R60 IonicContact OD1-NE 3.34Å; D48-R60 PolarHBondContact OD1-NE 3.2Å; D48-R60 IonicContact OD1-NH2 3.21Å
49	I	98.3	Very high	97.8	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.6	168.9	-60.5	161.7	0	0	0	107	V57 I58 A59 V61 E116 P205	I49-V57 CarbonylContact O-C 3.53Å; I49-V57 WeakPolarHBondContact O-CA 3.09Å; I49-I58 HydrophobicContact CB-CG1 4.44Å; I49-I58 HydrophobicContact CG2-CD1 4.09Å; I49-I58 HydrophobicContact CG2-CG1 3.94Å; I49-I58 WeakPolarHBondContact O-CG1 3.46Å; I49-I58 PolarHBondContact O-N 3.29Å; I49-A59 HydrophobicContact CB-CB 4.1Å; I49-A59 WeakPolarHBondContact CB-O 3.38Å; I49-A59 HydrophobicContact CD1-CB 3.71Å; I49-A59 HydrophobicContact CG1-CB 4.45Å; I49-A59 PolarHBondContact N-O 3.49Å; I49-A59 PolarHBondContact O-N 2.96Å; I49-V61 HydrophobicContact CD1-CB 4.01Å; I49-V61 HydrophobicContact CD1-CG1 4.39Å; I49-V61 HydrophobicContact CG1-CB 4.42Å; I49-V61 HydrophobicContact CG1-CG1 4.26Å; I49-E116 HydrophobicContact CG2-CB 4.36Å; I49-E116 HydrophobicContact CG2-CG 4Å; I49-P205 HydrophobicContact CD1-CG 3.6Å
50	H	97.9	Very high	97.8	Very high	72 Å²	72	58.1 Å²	58.1	33%	0.333	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	145.4	-176.2	-61.5	75.7	0	0	0	110.1	D48 P52 N55 E56	D48-H50 VanDerWaalsContact CB-CE1 3.45Å; D48-H50 WeakPolarHBondContact CB-CE1 3.32Å; D48-H50 PolarHBondContact O-ND1 3.45Å; H50-P52 WeakPolarHBondContact O-CD 3.49Å; H50-N55 PolarHBondContact CD2-O 3.03Å; H50-E56 CarbonylContact C-O 3.5Å; H50-E56 VanDerWaalsContact CA-O 3.29Å; H50-E56 WeakPolarHBondContact CA-O 3.45Å
51	N	98.4	Very high	97.8	Very high	27 Å²	27	54.1 Å²	54.1	14%	0.144	27%	0.272	C	S	.	.			trans	-73.7	115.1	159.1	177.2	-25.1	0	0	0	107.8	A53 T54 N55 E56 I58	N51-A53 PolarHBondContact O-N 3.32Å; N51-A53 VanDerWaalsContact O-N 3.15Å; N51-A53 WeakPolarHBondContact OD1-CB 3.31Å; N51-A53 PolarHBondContact OD1-N 3.31Å; N51-T54 PolarHBondContact O-N 2.92Å; N51-T54 VanDerWaalsContact O-N 3.15Å; N51-N55 VanDerWaalsContact O-CA 3.27Å; N51-N55 WeakPolarHBondContact O-CA 3.34Å; N51-N55 PolarHBondContact O-N 3.49Å; N51-E56 PolarHBondContact N-O 3.47Å; N51-I58 HydrophobicContact CB-CD1 4.34Å; N51-I58 HydrophobicContact CB-CG2 3.82Å
52	P	98.4	Very high	97.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.9	-173.8	25.9	-33.5	0	0	0	114.1	H50 E116 P347 L348 N387	H50-P52 WeakPolarHBondContact O-CD 3.49Å; P52-E116 WeakPolarHBondContact CD-O 3.32Å; P52-P347 HydrophobicContact CB-CB 4.18Å; P52-P347 HydrophobicContact CB-CG 3.86Å; P52-P347 HydrophobicContact CG-CG 3.91Å; P52-P347 WeakPolarHBondContact O-CB 3.48Å; P52-L348 VanDerWaalsContact CB-O 3.27Å; P52-L348 WeakPolarHBondContact CB-O 3.27Å; P52-N387 PolarHBondContact O-N 3.22Å; P52-N387 PolarHBondContact O-ND2 2.77Å
53	A	98.2	Very high	97.9	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.033	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-29.6	175.2	0	0	0	0	0	112.4	N51 A337 P347 Y383 G386 F388	N51-A53 PolarHBondContact O-N 3.32Å; N51-A53 VanDerWaalsContact O-N 3.15Å; N51-A53 WeakPolarHBondContact OD1-CB 3.31Å; N51-A53 PolarHBondContact OD1-N 3.31Å; A53-A337 HydrophobicContact CB-CB 3.62Å; A53-P347 HydrophobicContact CB-CG 4.17Å; A53-Y383 HydrophobicContact CB-CD1 3.86Å; A53-Y383 HydrophobicContact CB-CE1 4.13Å; A53-Y383 WeakPolarHBondContact O-CB 3.2Å; A53-G386 WeakPolarHBondContact O-CA 3.32Å; A53-G386 PolarHBondContact O-N 3.48Å; A53-F388 HydrophobicContact CB-CZ 4.06Å
54	T	97.8	Very high	97.9	Very high	31 Å²	31	47.4 Å²	47.4	19%	0.19	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-18.7	-177.5	62.8	0	0	0	0	113.7	N51 E56 Y383	N51-T54 PolarHBondContact O-N 2.92Å; N51-T54 VanDerWaalsContact O-N 3.15Å; T54-E56 PolarHBondContact O-N 3.43Å; T54-E56 WeakPolarHBondContact OG1-CB 3.18Å; T54-E56 PolarHBondContact OG1-N 3.1Å; T54-Y383 HydrophobicContact CG2-CD1 3.87Å; T54-Y383 HydrophobicContact CG2-CE1 4.07Å
55	N	97.1	Very high	98	Very high	42 Å²	42	43.4 Å²	43.4	23%	0.225	21%	0.213	C	C	.	.			trans	56.9	21.2	-165.2	-79.1	-42.6	0	0	0	114.2	H50 N51 N385 N387	H50-N55 PolarHBondContact CD2-O 3.03Å; N51-N55 VanDerWaalsContact O-CA 3.27Å; N51-N55 WeakPolarHBondContact O-CA 3.34Å; N51-N55 PolarHBondContact O-N 3.49Å; N55-N385 PolarHBondContact ND2-O 2.96Å; N55-N387 PolarHBondContact ND2-OD1 2.9Å; N55-N387 PolarHBondContact OD1-ND2 2.94Å; N55-N387 PolarHBondContact OD1-OD1 3.28Å
56	E	97	Very high	98.1	Very high	129 Å²	129	43.1 Å²	43.1	60%	0.603	21%	0.212	S	C	*	.			trans	-78.9	141.9	170.6	-66.4	176.2	157.1	0	0	110.5	H50 N51 T54 I58	H50-E56 CarbonylContact C-O 3.5Å; H50-E56 VanDerWaalsContact CA-O 3.29Å; H50-E56 WeakPolarHBondContact CA-O 3.45Å; N51-E56 PolarHBondContact N-O 3.47Å; T54-E56 PolarHBondContact O-N 3.43Å; T54-E56 WeakPolarHBondContact OG1-CB 3.18Å; T54-E56 PolarHBondContact OG1-N 3.1Å; E56-I58 PolarHBondContact O-N 3.44Å
57	V	97.9	Very high	98.1	Very high	54 Å²	54	46 Å²	46	33%	0.327	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	118.4	174.1	-177.3	0	0	0	0	109.1	V27 D48 I49	V27-V57 HydrophobicContact CG1-CG1 3.94Å; D48-V57 HydrophobicContact CB-CG1 3.86Å; D48-V57 HydrophobicContact CB-CG2 3.94Å; I49-V57 CarbonylContact O-C 3.53Å; I49-V57 WeakPolarHBondContact O-CA 3.09Å
58	I	97.6	Very high	98.2	Very high	43 Å²	43	45 Å²	45	22%	0.221	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-23.2	-177.4	55.6	169.8	0	0	0	113.1	I49 N51 E56 L115 E116	I49-I58 HydrophobicContact CB-CG1 4.44Å; I49-I58 HydrophobicContact CG2-CD1 4.09Å; I49-I58 HydrophobicContact CG2-CG1 3.94Å; I49-I58 WeakPolarHBondContact O-CG1 3.46Å; I49-I58 PolarHBondContact O-N 3.29Å; N51-I58 HydrophobicContact CB-CD1 4.34Å; N51-I58 HydrophobicContact CB-CG2 3.82Å; E56-I58 PolarHBondContact O-N 3.44Å; I58-L115 HydrophobicContact CD1-CD1 4.18Å; I58-L115 HydrophobicContact CD1-CD2 4.25Å; I58-L115 HydrophobicContact CD1-CG 3.73Å; I58-E116 HydrophobicContact CD1-CG 3.98Å
59	A	98	Very high	98.2	Very high	11 Å²	11	41.9 Å²	41.9	9%	0.091	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	172.7	177.3	0	0	0	0	0	110.7	P28 I49	P28-A59 CarbonylContact O-C 3.53Å; P28-A59 VanDerWaalsContact O-CA 3.22Å; P28-A59 WeakPolarHBondContact O-CA 3.33Å; I49-A59 HydrophobicContact CB-CB 4.1Å; I49-A59 WeakPolarHBondContact CB-O 3.38Å; I49-A59 HydrophobicContact CD1-CB 3.71Å; I49-A59 HydrophobicContact CG1-CB 4.45Å; I49-A59 PolarHBondContact N-O 3.49Å; I49-A59 PolarHBondContact O-N 2.96Å
60	R	98.3	Very high	98.2	Very high	107 Å²	107	44.7 Å²	44.7	40%	0.404	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.2	171.1	-72.4	-178.1	173.2	165.7	2.8	111.2	V27 P28 T29 T30 W46 L47 D48	V27-R60 HydrophobicContact CG1-CG 4.16Å; P28-R60 PolarHBondContact O-N 2.97Å; T29-R60 CarbonylContact C-O 3.57Å; T29-R60 WeakPolarHBondContact CA-O 3.15Å; T29-R60 HydrophobicContact CG2-CB 4.49Å; T30-R60 PolarHBondContact N-O 3.39Å; W46-R60 HydrophobicContact CB-CB 4.35Å; W46-R60 HydrophobicContact CE3-CB 3.97Å; L47-R60 CarbonylContact O-C 3.44Å; L47-R60 VanDerWaalsContact O-CA 3.28Å; L47-R60 WeakPolarHBondContact O-CA 3.3Å; D48-R60 VanDerWaalsContact OD1-CG 3.32Å; D48-R60 WeakPolarHBondContact OD1-CG 3.5Å; D48-R60 IonicContact OD1-CZ 2.71Å; D48-R60 IonicContact OD1-NE 3.34Å; D48-R60 PolarHBondContact OD1-NE 3.2Å; D48-R60 IonicContact OD1-NH2 3.21Å
61	V	98.4	Very high	98.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.6	176.3	65.8	0	0	0	0	110.7	T30 W46 L47 I49 E202 P205 H229	T30-V61 HydrophobicContact CG2-CG2 4.09Å; W46-V61 WeakPolarHBondContact CA-O 3.31Å; L47-V61 HydrophobicContact CB-CG1 3.82Å; L47-V61 PolarHBondContact N-O 3.45Å; L47-V61 PolarHBondContact O-N 3.45Å; I49-V61 HydrophobicContact CD1-CB 4.01Å; I49-V61 HydrophobicContact CD1-CG1 4.39Å; I49-V61 HydrophobicContact CG1-CB 4.42Å; I49-V61 HydrophobicContact CG1-CG1 4.26Å; V61-E202 HydrophobicContact CG1-CB 3.82Å; V61-E202 VanDerWaalsContact CG1-O 3.28Å; V61-E202 WeakPolarHBondContact CG1-O 3.14Å; V61-P205 HydrophobicContact CB-CG 4.44Å; V61-P205 HydrophobicContact CG2-CG 4.28Å; V61-H229 HydrophobicContact CG2-CB 3.45Å; V61-H229 VanDerWaalsContact CG2-CB 3.45Å
62	P	98.4	Very high	98.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	150.2	-177.3	30	-33.9	0	0	0	111	T30 L32 S41 W46 A64 H229	T30-P62 WeakPolarHBondContact O-CD 3.32Å; L32-P62 HydrophobicContact CD2-CG 4.25Å; S41-P62 VanDerWaalsContact CB-CB 3.43Å; S41-P62 WeakPolarHBondContact OG-CB 3.39Å; W46-P62 HydrophobicContact CD2-CB 4.3Å; W46-P62 HydrophobicContact CE3-CB 3.95Å; W46-P62 HydrophobicContact CH2-CB 3.95Å; W46-P62 HydrophobicContact CH2-CG 4.28Å; W46-P62 HydrophobicContact CZ2-CB 4.26Å; W46-P62 HydrophobicContact CZ3-CB 3.78Å; W46-P62 HydrophobicContact CZ3-CG 3.99Å; P62-A64 PolarHBondContact O-N 3.43Å; P62-H229 HydrophobicContact CG-CB 4.42Å; P62-H229 CarbonylContact O-C 3.53Å; P62-H229 VanDerWaalsContact O-CB 3.23Å; P62-H229 WeakPolarHBondContact O-CB 3.49Å
63	K	98.5	Very high	98.3	Very high	61 Å²	61	42.1 Å²	42.1	27%	0.265	22%	0.216	S	C	.	.			trans	-82.1	104.7	152.3	-62.5	-174	-169.3	168	0	107.1	S43 E45 L47 T65	S43-K63 WeakPolarHBondContact CB-O 3.39Å; S43-K63 PolarHBondContact OG-O 3.43Å; E45-K63 HydrophobicContact CB-CB 4.16Å; E45-K63 HydrophobicContact CB-CD 3.98Å; E45-K63 HydrophobicContact CB-CG 4.27Å; E45-K63 PolarHBondContact O-N 3.14Å; E45-K63 WeakPolarHBondContact OE2-CD 3.44Å; E45-K63 IonicContact OE2-NZ 2.64Å; E45-K63 PolarHBondContact OE2-NZ 2.79Å; L47-K63 HydrophobicContact CD1-CG 4.14Å; L47-K63 HydrophobicContact CG-CG 4.19Å; K63-T65 PolarHBondContact O-N 3.19Å
64	A	98.5	Very high	98.3	Very high	12 Å²	12	45.9 Å²	45.9	10%	0.099	24%	0.235	C	C	.	.			trans	-56.1	138.7	-175	0	0	0	0	0	111.2	L32 P62 E68 M69 I228 H229	L32-A64 HydrophobicContact CD2-CB 4.02Å; P62-A64 PolarHBondContact O-N 3.43Å; A64-E68 WeakPolarHBondContact CA-OE2 3.23Å; A64-E68 HydrophobicContact CB-CB 4.37Å; A64-M69 HydrophobicContact CB-CG 4Å; A64-I228 HydrophobicContact CB-CB 4.39Å; A64-H229 WeakPolarHBondContact CB-O 3.34Å; A64-H229 PolarHBondContact N-O 3.41Å
65	T	98.6	Very high	98.4	Very high	32 Å²	32	44.7 Å²	44.7	20%	0.196	23%	0.228	C	C	.	.			trans	-72.7	163.6	177.7	83.4	0	0	0	0	110.9	K63 E67 E68 M69	K63-T65 PolarHBondContact O-N 3.19Å; T65-E67 VanDerWaalsContact C-N 3.25Å; T65-E67 WeakPolarHBondContact CB-OE2 3.45Å; T65-E67 PolarHBondContact O-N 3.03Å; T65-E67 PolarHBondContact OG1-N 3.28Å; T65-E67 PolarHBondContact OG1-OE2 3.1Å; T65-E68 PolarHBondContact N-OE2 3.17Å; T65-E68 PolarHBondContact O-N 3.48Å; T65-E68 VanDerWaalsContact O-N 3.15Å; T65-E68 WeakPolarHBondContact OG1-CG 3.33Å; T65-E68 PolarHBondContact OG1-N 3.42Å; T65-M69 WeakPolarHBondContact O-CG 3.43Å; T65-M69 PolarHBondContact O-N 2.96Å
66	Q	98.4	Very high	98.5	Very high	98 Å²	98	42.7 Å²	42.7	46%	0.458	22%	0.217	S	C	.	.	H	α-helix	trans	-57.1	-40.8	175.9	-177.3	62.4	27.1	0	0	111.9	E68 M69 L70	Q66-E68 VanDerWaalsContact C-N 3.33Å; Q66-E68 PolarHBondContact O-N 3.28Å; Q66-M69 PolarHBondContact O-N 2.9Å; Q66-L70 HydrophobicContact CG-CD1 4.1Å; Q66-L70 WeakPolarHBondContact O-CB 3.32Å; Q66-L70 VanDerWaalsContact O-CG 3.29Å; Q66-L70 WeakPolarHBondContact O-CG 3.27Å; Q66-L70 PolarHBondContact O-N 3.18Å
67	E	98.7	Very high	98.5	Very high	135 Å²	135	38.8 Å²	38.8	63%	0.631	20%	0.204	S	C	*	.	H	α-helix	trans	-64.7	-37.5	178.2	-59.3	75.5	-163.6	0	0	111.9	T65 A71	T65-E67 VanDerWaalsContact C-N 3.25Å; T65-E67 WeakPolarHBondContact CB-OE2 3.45Å; T65-E67 PolarHBondContact O-N 3.03Å; T65-E67 PolarHBondContact OG1-N 3.28Å; T65-E67 PolarHBondContact OG1-OE2 3.1Å; E67-A71 WeakPolarHBondContact O-CB 3.33Å; E67-A71 PolarHBondContact O-N 3.03Å
68	E	98.8	Very high	98.6	Very high	16 Å²	16	43.9 Å²	43.9	8%	0.075	23%	0.225	C	C	.	.	H	α-helix	trans	-69.4	-40.3	177.3	-68	172.8	158	0	0	111.7	L32 S41 K42 A64 T65 Q66 A71 A72	L32-E68 HydrophobicContact CD1-CB 3.86Å; L32-E68 HydrophobicContact CD1-CG 3.94Å; S41-E68 WeakPolarHBondContact CA-OE1 3.27Å; S41-E68 VanDerWaalsContact OG-CD 3.28Å; S41-E68 PolarHBondContact OG-OE1 3.03Å; S41-E68 PolarHBondContact OG-OE2 3.08Å; K42-E68 PolarHBondContact N-OE1 2.88Å; A64-E68 WeakPolarHBondContact CA-OE2 3.23Å; A64-E68 HydrophobicContact CB-CB 4.37Å; T65-E68 PolarHBondContact N-OE2 3.17Å; T65-E68 PolarHBondContact O-N 3.48Å; T65-E68 VanDerWaalsContact O-N 3.15Å; T65-E68 WeakPolarHBondContact OG1-CG 3.33Å; T65-E68 PolarHBondContact OG1-N 3.42Å; Q66-E68 VanDerWaalsContact C-N 3.33Å; Q66-E68 PolarHBondContact O-N 3.28Å; E68-A71 PolarHBondContact O-N 3.43Å; E68-A72 WeakPolarHBondContact O-CB 3.22Å; E68-A72 PolarHBondContact O-N 3.31Å
69	M	98.8	Very high	98.6	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.02	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-41.9	174.8	-67.2	-170	-70.4	0	0	111.8	A64 T65 Q66 A72 V73 I228 A234 F237	A64-M69 HydrophobicContact CB-CG 4Å; T65-M69 WeakPolarHBondContact O-CG 3.43Å; T65-M69 PolarHBondContact O-N 2.96Å; Q66-M69 PolarHBondContact O-N 2.9Å; M69-A72 PolarHBondContact O-N 3.16Å; M69-V73 PolarHBondContact O-N 3.23Å; M69-V73 VanDerWaalsContact O-N 3.13Å; M69-I228 HydrophobicContact CB-CD1 4.49Å; M69-I228 HydrophobicContact CG-CD1 3.86Å; M69-I228 HydrophobicContact SD-CD1 4.12Å; M69-A234 VanDerWaalsContact SD-CA 3.6Å; M69-A234 HydrophobicContact SD-CB 4.03Å; M69-F237 VanDerWaalsContact C-CZ 3.42Å; M69-F237 HydrophobicContact CB-CD1 3.85Å; M69-F237 HydrophobicContact CB-CD2 3.9Å; M69-F237 HydrophobicContact CB-CE1 3.77Å; M69-F237 HydrophobicContact CB-CE2 3.81Å; M69-F237 HydrophobicContact CB-CG 3.92Å; M69-F237 HydrophobicContact CB-CZ 3.74Å; M69-F237 HydrophobicContact CE-CB 4.12Å; M69-F237 HydrophobicContact CE-CD2 4.32Å; M69-F237 HydrophobicContact CE-CG 4.29Å; M69-F237 HydrophobicContact CG-CD1 4.42Å; M69-F237 HydrophobicContact CG-CG 4.44Å; M69-F237 WeakPolarHBondContact O-CE1 3.41Å; M69-F237 VanDerWaalsContact O-CZ 3.24Å; M69-F237 WeakPolarHBondContact O-CZ 3.4Å; M69-F237 HydrophobicContact SD-CB 3.69Å; M69-F237 HydrophobicContact SD-CD1 4.16Å; M69-F237 HydrophobicContact SD-CD2 4.34Å; M69-F237 HydrophobicContact SD-CG 3.81Å
70	L	98.9	Very high	98.7	Very high	60 Å²	60	44.8 Å²	44.8	31%	0.314	23%	0.226	S	C	.	.	H	α-helix	trans	-62.1	-47.4	173.1	-73.3	168.8	0	0	0	111.5	Q66 A72 V73 D74 F237	Q66-L70 HydrophobicContact CG-CD1 4.1Å; Q66-L70 WeakPolarHBondContact O-CB 3.32Å; Q66-L70 VanDerWaalsContact O-CG 3.29Å; Q66-L70 WeakPolarHBondContact O-CG 3.27Å; Q66-L70 PolarHBondContact O-N 3.18Å; L70-A72 VanDerWaalsContact C-N 3.26Å; L70-A72 PolarHBondContact O-N 3.13Å; L70-V73 WeakPolarHBondContact O-CG1 3.48Å; L70-V73 PolarHBondContact O-N 3.12Å; L70-D74 WeakPolarHBondContact O-CB 3.26Å; L70-D74 VanDerWaalsContact O-CG 3.23Å; L70-D74 PolarHBondContact O-N 3.14Å; L70-F237 HydrophobicContact CD2-CE2 3.97Å; L70-F237 HydrophobicContact CD2-CZ 4.37Å; L70-F237 HydrophobicContact CG-CE2 4.2Å
71	A	98.8	Very high	98.6	Very high	46 Å²	46	46.4 Å²	46.4	38%	0.38	24%	0.237	S	C	.	.	H	α-helix	trans	-58.6	-38.3	177.5	0	0	0	0	0	112.6	E67 E68 S75	E67-A71 WeakPolarHBondContact O-CB 3.33Å; E67-A71 PolarHBondContact O-N 3.03Å; E68-A71 PolarHBondContact O-N 3.43Å; A71-S75 WeakPolarHBondContact O-CB 3.48Å; A71-S75 PolarHBondContact O-N 3.18Å
72	A	98.9	Very high	98.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.5	-44.9	177.5	0	0	0	0	0	112.8	I34 E68 M69 L70 C76 L197 N226 I228	I34-A72 HydrophobicContact CD1-CB 4.13Å; I34-A72 HydrophobicContact CG1-CB 4.1Å; E68-A72 WeakPolarHBondContact O-CB 3.22Å; E68-A72 PolarHBondContact O-N 3.31Å; M69-A72 PolarHBondContact O-N 3.16Å; L70-A72 VanDerWaalsContact C-N 3.26Å; L70-A72 PolarHBondContact O-N 3.13Å; A72-C76 PolarHBondContact O-N 3.01Å; A72-C76 VanDerWaalsContact O-N 3.1Å; A72-C76 PolarHBondContact O-SG 3.19Å; A72-L197 HydrophobicContact CB-CD1 3.76Å; A72-N226 HydrophobicContact CB-CB 4Å; A72-N226 PolarHBondContact O-ND2 3.36Å; A72-I228 HydrophobicContact CB-CG2 3.58Å
73	V	98.8	Very high	98.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-74.7	-31.7	179.5	76.2	0	0	0	0	112.4	M69 L70 C76 S77 V168 L197 F237 H241 A243 I244	M69-V73 PolarHBondContact O-N 3.23Å; M69-V73 VanDerWaalsContact O-N 3.13Å; L70-V73 WeakPolarHBondContact O-CG1 3.48Å; L70-V73 PolarHBondContact O-N 3.12Å; V73-C76 WeakPolarHBondContact O-CB 3.34Å; V73-C76 PolarHBondContact O-N 3.3Å; V73-S77 WeakPolarHBondContact O-CB 3.43Å; V73-S77 PolarHBondContact O-N 2.99Å; V73-S77 PolarHBondContact O-OG 3.18Å; V73-V168 HydrophobicContact CG2-CG1 4.3Å; V73-L197 HydrophobicContact CB-CD2 4.45Å; V73-F237 HydrophobicContact CB-CE1 4.24Å; V73-F237 HydrophobicContact CB-CZ 4.17Å; V73-F237 HydrophobicContact CG1-CE1 4.27Å; V73-F237 HydrophobicContact CG1-CZ 3.71Å; V73-H241 VanDerWaalsContact CG1-CE1 3.42Å; V73-H241 WeakPolarHBondContact CG1-CE1 3.48Å; V73-A243 HydrophobicContact CG2-CB 4.04Å; V73-I244 HydrophobicContact CG2-CD1 4.45Å; V73-I244 HydrophobicContact CG2-CG1 4.08Å
74	D	98.8	Very high	98.5	Very high	82 Å²	82	48 Å²	48	44%	0.439	26%	0.256	S	S	.	.	H	α-helix	trans	-65.2	-43.3	173.5	-73.5	-17.8	0	0	0	110.4	L70 C76 S77 Q78	L70-D74 WeakPolarHBondContact O-CB 3.26Å; L70-D74 VanDerWaalsContact O-CG 3.23Å; L70-D74 PolarHBondContact O-N 3.14Å; D74-C76 VanDerWaalsContact C-N 3.34Å; D74-C76 PolarHBondContact O-N 3.12Å; D74-S77 PolarHBondContact O-N 2.82Å; D74-S77 VanDerWaalsContact O-N 3.09Å; D74-Q78 WeakPolarHBondContact O-CG 3.47Å; D74-Q78 PolarHBondContact O-N 3.3Å
75	S	98.8	Very high	98.5	Very high	6 Å²	6	54.3 Å²	54.3	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-59.5	-42.9	173.1	179.3	0	0	0	0	112.2	N35 A71 S77 S79 G223 N226	N35-S75 WeakPolarHBondContact CA-OG 3.28Å; N35-S75 WeakPolarHBondContact CB-OG 3.35Å; N35-S75 PolarHBondContact OD1-OG 2.7Å; A71-S75 WeakPolarHBondContact O-CB 3.48Å; A71-S75 PolarHBondContact O-N 3.18Å; S75-S77 VanDerWaalsContact C-N 3.31Å; S75-S77 PolarHBondContact O-N 3.39Å; S75-S79 WeakPolarHBondContact O-CB 3.3Å; S75-S79 PolarHBondContact O-N 2.84Å; S75-S79 VanDerWaalsContact O-N 3.15Å; S75-S79 PolarHBondContact O-OG 3.06Å; S75-G223 WeakPolarHBondContact OG-CA 3.44Å; S75-N226 PolarHBondContact OG-OD1 2.93Å
76	C	98.8	Very high	98.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-43.3	172.5	-66.4	0	0	0	0	112	A72 V73 D74 Y80 V168 T195 G223 N226	A72-C76 PolarHBondContact O-N 3.01Å; A72-C76 VanDerWaalsContact O-N 3.1Å; A72-C76 PolarHBondContact O-SG 3.19Å; V73-C76 WeakPolarHBondContact O-CB 3.34Å; V73-C76 PolarHBondContact O-N 3.3Å; D74-C76 VanDerWaalsContact C-N 3.34Å; D74-C76 PolarHBondContact O-N 3.12Å; C76-Y80 PolarHBondContact O-N 3.48Å; C76-V168 HydrophobicContact CB-CB 4.36Å; C76-V168 HydrophobicContact CB-CG1 3.64Å; C76-V168 HydrophobicContact CB-CG2 3.81Å; C76-T195 WeakPolarHBondContact O-CB 3.13Å; C76-T195 WeakPolarHBondContact O-CG2 3.4Å; C76-T195 PolarHBondContact O-OG1 3.32Å; C76-G223 WeakPolarHBondContact CA-O 3.49Å; C76-N226 PolarHBondContact SG-ND2 2.83Å
77	S	98.8	Very high	98.5	Very high	47 Å²	47	53.5 Å²	53.5	33%	0.329	29%	0.288	S	S	.	.	H	α-helix	trans	-70.4	-43.2	-175	-58.5	0	0	0	0	112	V73 D74 S75 S79 Y80	V73-S77 WeakPolarHBondContact O-CB 3.43Å; V73-S77 PolarHBondContact O-N 2.99Å; V73-S77 PolarHBondContact O-OG 3.18Å; D74-S77 PolarHBondContact O-N 2.82Å; D74-S77 VanDerWaalsContact O-N 3.09Å; S75-S77 VanDerWaalsContact C-N 3.31Å; S75-S77 PolarHBondContact O-N 3.39Å; S77-S79 VanDerWaalsContact C-N 3.35Å; S77-Y80 PolarHBondContact O-N 3.09Å
78	Q	98.6	Very high	98.4	Very high	161 Å²	161	49.8 Å²	49.8	75%	0.752	27%	0.272	S	S	*	.	H	α-helix	trans	-64.7	-39.2	177.2	-71	-173.5	-52.5	0	0	112.2	D74 Y80	D74-Q78 WeakPolarHBondContact O-CG 3.47Å; D74-Q78 PolarHBondContact O-N 3.3Å; Q78-Y80 VanDerWaalsContact C-N 3.31Å; Q78-Y80 PolarHBondContact O-N 3.04Å
79	S	98.6	Very high	98.4	Very high	15 Å²	15	54.3 Å²	54.3	11%	0.105	30%	0.296	C	S	.	.	H	α-helix	trans	-79.2	-16	-176.9	-48.1	0	0	0	0	113.1	S75 S77 H81 S82 W83 D222 G223	S75-S79 WeakPolarHBondContact O-CB 3.3Å; S75-S79 PolarHBondContact O-N 2.84Å; S75-S79 VanDerWaalsContact O-N 3.15Å; S75-S79 PolarHBondContact O-OG 3.06Å; S77-S79 VanDerWaalsContact C-N 3.35Å; S79-H81 PolarHBondContact O-N 2.9Å; S79-S82 PolarHBondContact O-OG 3.39Å; S79-W83 VanDerWaalsContact O-CB 3.28Å; S79-W83 WeakPolarHBondContact O-CB 3.37Å; S79-W83 PolarHBondContact O-N 3.32Å; S79-W83 VanDerWaalsContact O-N 3.14Å; S79-D222 PolarHBondContact OG-O 3.46Å; S79-D222 VanDerWaalsContact OG-O 3.13Å; S79-G223 WeakPolarHBondContact OG-CA 3.27Å
80	Y	98.8	Very high	98.4	Very high	59 Å²	59	56 Å²	56	23%	0.231	31%	0.31	C	S	.	.	H	α-helix	trans	-61.7	-46.7	-176.3	173.1	-112.4	0	0	0	112.8	C76 S77 Q78 S82 W83 S84 P165 G193	C76-Y80 PolarHBondContact O-N 3.48Å; S77-Y80 PolarHBondContact O-N 3.09Å; Q78-Y80 VanDerWaalsContact C-N 3.31Å; Q78-Y80 PolarHBondContact O-N 3.04Å; Y80-S82 PolarHBondContact O-N 3.43Å; Y80-W83 PolarHBondContact O-N 2.96Å; Y80-S84 WeakPolarHBondContact O-CB 3.28Å; Y80-S84 PolarHBondContact O-N 3.49Å; Y80-S84 PolarHBondContact O-OG 3.25Å; Y80-P165 HydrophobicContact CE2-CB 4.11Å; Y80-P165 HydrophobicContact CE2-CG 4.28Å; Y80-P165 PolarHBondContact OH-O 3.43Å; Y80-G193 WeakPolarHBondContact CE2-O 3.1Å
81	H	96.1	Very high	98.3	Very high	140 Å²	140	53.5 Å²	53.5	65%	0.648	30%	0.297	S	S	*	.	H	α-helix	trans	-61.4	-44	-174.2	-176.5	-74.1	0	0	0	112.4	S79 S84 E85	S79-H81 PolarHBondContact O-N 2.9Å; H81-S84 PolarHBondContact O-OG 2.8Å; H81-E85 WeakPolarHBondContact O-CG 3.42Å
82	S	97.9	Very high	98.3	Very high	74 Å²	74	52.8 Å²	52.8	52%	0.517	29%	0.286	S	S	.	.	H	α-helix	trans	-72.6	-35.3	177.9	54.3	0	0	0	0	112.1	S79 Y80 T86	S79-S82 PolarHBondContact O-OG 3.39Å; Y80-S82 PolarHBondContact O-N 3.43Å; S82-T86 PolarHBondContact O-N 3.34Å; S82-T86 PolarHBondContact O-OG1 2.85Å
83	W	98.6	Very high	98.3	Very high	2 Å²	2	57 Å²	57	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-72	-39.8	-179.8	-178.7	-121.3	0	0	0	113.5	S79 Y80 E85 T86 R91 I94 M190 G193 N194 M220 P221 T224	S79-W83 VanDerWaalsContact O-CB 3.28Å; S79-W83 WeakPolarHBondContact O-CB 3.37Å; S79-W83 PolarHBondContact O-N 3.32Å; S79-W83 VanDerWaalsContact O-N 3.14Å; Y80-W83 PolarHBondContact O-N 2.96Å; W83-E85 VanDerWaalsContact C-N 3.25Å; W83-E85 PolarHBondContact O-N 2.91Å; W83-T86 HydrophobicContact CE3-CG2 4.16Å; W83-T86 HydrophobicContact CZ3-CG2 3.93Å; W83-T86 VanDerWaalsContact O-CB 3.28Å; W83-T86 WeakPolarHBondContact O-CB 2.98Å; W83-T86 PolarHBondContact O-N 2.85Å; W83-T86 VanDerWaalsContact O-N 3.12Å; W83-R91 HydrophobicContact CE3-CG 4.46Å; W83-R91 HydrophobicContact CH2-CB 3.87Å; W83-R91 HydrophobicContact CH2-CG 3.47Å; W83-R91 VanDerWaalsContact CH2-CG 3.47Å; W83-R91 HydrophobicContact CZ2-CB 4.15Å; W83-R91 VanDerWaalsContact CZ2-CD 3.48Å; W83-R91 HydrophobicContact CZ2-CG 3.71Å; W83-R91 HydrophobicContact CZ3-CG 3.86Å; W83-I94 HydrophobicContact CH2-CD1 3.73Å; W83-I94 HydrophobicContact CZ3-CD1 3.77Å; W83-M190 WeakPolarHBondContact CZ2-O 3.45Å; W83-M190 PolarHBondContact NE1-O 2.88Å; W83-G193 VanDerWaalsContact CD1-C 3.48Å; W83-N194 PolarHBondContact NE1-O 3.31Å; W83-N194 VanDerWaalsContact NE1-O 3.13Å; W83-M220 HydrophobicContact CH2-CE 4.16Å; W83-M220 HydrophobicContact CH2-SD 3.77Å; W83-M220 HydrophobicContact CZ2-CE 4.13Å; W83-M220 HydrophobicContact CZ2-SD 3.9Å; W83-M220 HydrophobicContact CZ3-SD 4.23Å; W83-P221 HydrophobicContact CE3-CG 4.04Å; W83-P221 HydrophobicContact CZ3-CG 4.14Å; W83-T224 HydrophobicContact CB-CG2 3.95Å; W83-T224 HydrophobicContact CD2-CG2 4.11Å; W83-T224 HydrophobicContact CG-CG2 3.84Å
84	S	98.4	Very high	98.3	Very high	19 Å²	19	57.7 Å²	57.7	13%	0.133	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-35.5	178.3	61.8	0	0	0	0	112.1	Y80 H81 R91	Y80-S84 WeakPolarHBondContact O-CB 3.28Å; Y80-S84 PolarHBondContact O-N 3.49Å; Y80-S84 PolarHBondContact O-OG 3.25Å; H81-S84 PolarHBondContact O-OG 2.8Å; S84-R91 PolarHBondContact O-NH1 3.31Å
85	E	97.8	Very high	98.3	Very high	145 Å²	145	53.8 Å²	53.8	68%	0.678	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.6	178	-61.7	-56	129.3	0	0	113.5	H81 W83 S87	H81-E85 WeakPolarHBondContact O-CG 3.42Å; W83-E85 VanDerWaalsContact C-N 3.25Å; W83-E85 PolarHBondContact O-N 2.91Å; E85-S87 PolarHBondContact O-N 3.02Å
86	T	98.4	Very high	98.3	Very high	41 Å²	41	56.3 Å²	56.3	25%	0.252	30%	0.301	S	S	.	.	S	Bend	trans	-64.7	127	174.4	-64	0	0	0	0	109.5	S82 W83 A90 R91	S82-T86 PolarHBondContact O-N 3.34Å; S82-T86 PolarHBondContact O-OG1 2.85Å; W83-T86 HydrophobicContact CE3-CG2 4.16Å; W83-T86 HydrophobicContact CZ3-CG2 3.93Å; W83-T86 VanDerWaalsContact O-CB 3.28Å; W83-T86 WeakPolarHBondContact O-CB 2.98Å; W83-T86 PolarHBondContact O-N 2.85Å; W83-T86 VanDerWaalsContact O-N 3.12Å; T86-A90 HydrophobicContact CG2-CB 3.74Å; T86-R91 HydrophobicContact CG2-CG 3.92Å; T86-R91 PolarHBondContact O-NH1 2.81Å
87	S	98.1	Very high	98.3	Very high	71 Å²	71	61.6 Å²	61.6	50%	0.497	32%	0.321	S	S	.	.			trans	-53.6	146.1	-176.3	75.1	0	0	0	0	113.1	E85 L89 A90 R91	E85-S87 PolarHBondContact O-N 3.02Å; S87-L89 PolarHBondContact O-N 2.94Å; S87-A90 PolarHBondContact O-N 2.8Å; S87-A90 WeakPolarHBondContact OG-CB 3.32Å; S87-A90 PolarHBondContact OG-N 3.21Å; S87-R91 PolarHBondContact O-N 3.06Å
88	I	97.4	Very high	98.3	Very high	58 Å²	58	59.3 Å²	59.3	30%	0.297	31%	0.305	S	S	.	.	H	α-helix	trans	-55	-38.9	-179.6	-64.9	167.7	0	0	0	111.5	R91 Q92 I141 T142 M145	I88-R91 PolarHBondContact O-N 2.71Å; I88-Q92 WeakPolarHBondContact O-CB 3.32Å; I88-Q92 PolarHBondContact O-N 3.48Å; I88-I141 HydrophobicContact CG2-CB 4.48Å; I88-I141 HydrophobicContact CG2-CG1 4.22Å; I88-I141 HydrophobicContact CG2-CG2 3.75Å; I88-T142 HydrophobicContact CG2-CG2 3.93Å; I88-M145 HydrophobicContact CD1-CB 3.89Å; I88-M145 HydrophobicContact CD1-CG 4.48Å
89	L	98	Very high	98.3	Very high	110 Å²	110	53.2 Å²	53.2	58%	0.576	28%	0.276	S	S	*	.	H	α-helix	trans	-65.1	-41.4	177.2	-70.3	171.5	0	0	0	112.2	S87 Q92 Q93 T142	S87-L89 PolarHBondContact O-N 2.94Å; L89-Q92 WeakPolarHBondContact O-CB 3.46Å; L89-Q92 PolarHBondContact O-N 3.29Å; L89-Q93 WeakPolarHBondContact O-CG 3.43Å; L89-Q93 PolarHBondContact O-N 3.18Å; L89-T142 HydrophobicContact CD2-CG2 3.69Å
90	A	98.4	Very high	98.3	Very high	39 Å²	39	56.3 Å²	56.3	32%	0.322	29%	0.289	S	S	.	.	H	α-helix	trans	-64.7	-41.1	176.3	0	0	0	0	0	111.6	T86 S87 Q93 I94	T86-A90 HydrophobicContact CG2-CB 3.74Å; S87-A90 PolarHBondContact O-N 2.8Å; S87-A90 WeakPolarHBondContact OG-CB 3.32Å; S87-A90 PolarHBondContact OG-N 3.21Å; A90-Q93 PolarHBondContact O-N 2.91Å; A90-I94 PolarHBondContact O-N 2.92Å
91	R	98.6	Very high	98.3	Very high	9 Å²	9	55.8 Å²	55.8	3%	0.034	29%	0.29	C	S	.	.	H	α-helix	trans	-60.2	-46.6	173.6	-58.6	-160.3	-67.5	-105.5	6.9	111.3	W83 S84 T86 S87 I88 Q93 I94 F95 V191	W83-R91 HydrophobicContact CE3-CG 4.46Å; W83-R91 HydrophobicContact CH2-CB 3.87Å; W83-R91 HydrophobicContact CH2-CG 3.47Å; W83-R91 VanDerWaalsContact CH2-CG 3.47Å; W83-R91 HydrophobicContact CZ2-CB 4.15Å; W83-R91 VanDerWaalsContact CZ2-CD 3.48Å; W83-R91 HydrophobicContact CZ2-CG 3.71Å; W83-R91 HydrophobicContact CZ3-CG 3.86Å; S84-R91 PolarHBondContact O-NH1 3.31Å; T86-R91 HydrophobicContact CG2-CG 3.92Å; T86-R91 PolarHBondContact O-NH1 2.81Å; S87-R91 PolarHBondContact O-N 3.06Å; I88-R91 PolarHBondContact O-N 2.71Å; R91-Q93 VanDerWaalsContact C-N 3.33Å; R91-Q93 PolarHBondContact O-N 3.33Å; R91-I94 PolarHBondContact O-N 2.67Å; R91-F95 WeakPolarHBondContact O-CD2 3.42Å; R91-F95 PolarHBondContact O-N 3.04Å; R91-V191 PolarHBondContact NE-O 2.87Å
92	Q	98.6	Very high	98.5	Very high	30 Å²	30	49.1 Å²	49.1	14%	0.14	26%	0.259	C	S	.	.	H	α-helix	trans	-55.9	-43.7	176.9	-176.6	-168.4	47.3	0	0	112.5	I88 L89 I94 F95 L96 C139 I141	I88-Q92 WeakPolarHBondContact O-CB 3.32Å; I88-Q92 PolarHBondContact O-N 3.48Å; L89-Q92 WeakPolarHBondContact O-CB 3.46Å; L89-Q92 PolarHBondContact O-N 3.29Å; Q92-I94 VanDerWaalsContact C-N 3.28Å; Q92-I94 PolarHBondContact O-N 3.2Å; Q92-F95 PolarHBondContact O-N 3.41Å; Q92-F95 VanDerWaalsContact O-N 3.12Å; Q92-L96 HydrophobicContact CG-CD1 4.13Å; Q92-L96 HydrophobicContact CG-CG 4.46Å; Q92-L96 PolarHBondContact O-N 3.36Å; Q92-C139 PolarHBondContact NE2-O 2.91Å; Q92-I141 HydrophobicContact CB-CG2 3.91Å; Q92-I141 HydrophobicContact CG-CG2 4.33Å
93	Q	98.6	Very high	98.5	Very high	90 Å²	90	50.7 Å²	50.7	42%	0.421	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-33.5	-179.6	-70.2	-58.7	-44.3	0	0	113.3	L89 A90 R91 R97	L89-Q93 WeakPolarHBondContact O-CG 3.43Å; L89-Q93 PolarHBondContact O-N 3.18Å; A90-Q93 PolarHBondContact O-N 2.91Å; R91-Q93 VanDerWaalsContact C-N 3.33Å; R91-Q93 PolarHBondContact O-N 3.33Å; Q93-R97 PolarHBondContact O-N 3.02Å; Q93-R97 PolarHBondContact O-NH1 2.95Å
94	I	98.8	Very high	98.5	Very high	13 Å²	13	55.7 Å²	55.7	7%	0.067	28%	0.284	C	S	.	.	H	α-helix	trans	-64.5	-46.6	173.7	-66.1	161	0	0	0	110.1	W83 A90 R91 Q92 L96 R97 Y98 A218 M220	W83-I94 HydrophobicContact CH2-CD1 3.73Å; W83-I94 HydrophobicContact CZ3-CD1 3.77Å; A90-I94 PolarHBondContact O-N 2.92Å; R91-I94 PolarHBondContact O-N 2.67Å; Q92-I94 VanDerWaalsContact C-N 3.28Å; Q92-I94 PolarHBondContact O-N 3.2Å; I94-L96 VanDerWaalsContact C-N 3.34Å; I94-L96 PolarHBondContact O-N 3.38Å; I94-R97 VanDerWaalsContact CG1-NH2 3.27Å; I94-R97 PolarHBondContact O-N 2.7Å; I94-Y98 WeakPolarHBondContact O-CB 3.39Å; I94-Y98 PolarHBondContact O-N 2.96Å; I94-A218 HydrophobicContact CG2-CB 4.13Å; I94-M220 HydrophobicContact CG2-CB 4.27Å; I94-M220 HydrophobicContact CG2-CE 3.71Å; I94-M220 HydrophobicContact CG2-SD 4.45Å
95	F	98.6	Very high	98.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68.5	-30.6	179.6	-74.8	-76.9	0	0	0	113.5	R91 Q92 R97 Y98 Q99 V135 T138 P187 M190 V191 L215 M220	R91-F95 WeakPolarHBondContact O-CD2 3.42Å; R91-F95 PolarHBondContact O-N 3.04Å; Q92-F95 PolarHBondContact O-N 3.41Å; Q92-F95 VanDerWaalsContact O-N 3.12Å; F95-R97 VanDerWaalsContact C-N 3.34Å; F95-Y98 HydrophobicContact CD1-CD1 4.09Å; F95-Y98 HydrophobicContact CE1-CD1 4.33Å; F95-Y98 PolarHBondContact O-N 3.01Å; F95-Q99 WeakPolarHBondContact O-CG 3.43Å; F95-Q99 PolarHBondContact O-N 3.09Å; F95-V135 HydrophobicContact CD1-CG1 4.08Å; F95-T138 WeakPolarHBondContact CB-OG1 3.26Å; F95-T138 WeakPolarHBondContact CG-OG1 3.33Å; F95-P187 HydrophobicContact CD1-CB 4.34Å; F95-P187 HydrophobicContact CE1-CB 3.72Å; F95-M190 HydrophobicContact CZ-CB 3.91Å; F95-V191 HydrophobicContact CD2-CB 3.78Å; F95-V191 HydrophobicContact CD2-CG2 3.54Å; F95-V191 HydrophobicContact CE2-CB 3.51Å; F95-V191 HydrophobicContact CE2-CG2 3.78Å; F95-V191 HydrophobicContact CG-CG2 4.31Å; F95-V191 HydrophobicContact CZ-CB 4.06Å; F95-L215 HydrophobicContact CE1-CD1 4.49Å; F95-M220 HydrophobicContact CE2-CE 3.94Å; F95-M220 HydrophobicContact CZ-CE 3.79Å
96	L	98.8	Very high	98.6	Very high	59 Å²	59	51.9 Å²	51.9	31%	0.309	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-36	171	-77.7	168.4	0	0	0	112.9	Q92 I94 Q99 C139	Q92-L96 HydrophobicContact CG-CD1 4.13Å; Q92-L96 HydrophobicContact CG-CG 4.46Å; Q92-L96 PolarHBondContact O-N 3.36Å; I94-L96 VanDerWaalsContact C-N 3.34Å; I94-L96 PolarHBondContact O-N 3.38Å; L96-Q99 WeakPolarHBondContact O-CG 3.47Å; L96-Q99 PolarHBondContact O-NE2 3.46Å; L96-C139 HydrophobicContact CD2-CB 3.92Å; L96-C139 HydrophobicContact CG-CB 4.29Å
97	R	98.9	Very high	98.6	Very high	111 Å²	111	57.1 Å²	57.1	42%	0.419	29%	0.285	S	S	.	.	H	α-helix	trans	-74.2	-41.1	172	-69.7	-174.2	-63.5	-88.6	4	111.6	Q93 I94 F95 Q100 L101 A218	Q93-R97 PolarHBondContact O-N 3.02Å; Q93-R97 PolarHBondContact O-NH1 2.95Å; I94-R97 VanDerWaalsContact CG1-NH2 3.27Å; I94-R97 PolarHBondContact O-N 2.7Å; F95-R97 VanDerWaalsContact C-N 3.34Å; R97-Q100 WeakPolarHBondContact O-CB 3.47Å; R97-Q100 PolarHBondContact O-N 3.49Å; R97-L101 PolarHBondContact O-N 3.45Å; R97-A218 HydrophobicContact CB-CB 4.14Å; R97-A218 VanDerWaalsContact CZ-O 3.29Å; R97-A218 PolarHBondContact NE-O 3.45Å; R97-A218 PolarHBondContact NH2-O 2.93Å
98	Y	98.9	Very high	98.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-44.8	-178	-176.5	-130.9	0	0	0	112.6	I94 F95 Q100 L101 I102 V135 L183 F186 L211 M214 L215 A218	I94-Y98 WeakPolarHBondContact O-CB 3.39Å; I94-Y98 PolarHBondContact O-N 2.96Å; F95-Y98 HydrophobicContact CD1-CD1 4.09Å; F95-Y98 HydrophobicContact CE1-CD1 4.33Å; F95-Y98 PolarHBondContact O-N 3.01Å; Y98-Q100 VanDerWaalsContact C-N 3.27Å; Y98-Q100 PolarHBondContact O-N 3.1Å; Y98-L101 PolarHBondContact O-N 3.49Å; Y98-I102 HydrophobicContact CD1-CD1 4.14Å; Y98-I102 HydrophobicContact CD2-CD1 4.43Å; Y98-I102 HydrophobicContact CD2-CG1 4.4Å; Y98-I102 HydrophobicContact CE1-CD1 3.67Å; Y98-I102 HydrophobicContact CE2-CD1 3.99Å; Y98-I102 HydrophobicContact CE2-CG1 4Å; Y98-I102 HydrophobicContact CG-CD1 4.48Å; Y98-I102 WeakPolarHBondContact O-CG1 3.46Å; Y98-I102 PolarHBondContact O-N 2.91Å; Y98-V135 HydrophobicContact CD1-CG1 3.53Å; Y98-V135 HydrophobicContact CD1-CG2 4.36Å; Y98-V135 HydrophobicContact CE1-CG1 4.09Å; Y98-V135 HydrophobicContact CE1-CG2 4.08Å; Y98-V135 HydrophobicContact CG-CG1 4.42Å; Y98-L183 HydrophobicContact CE1-CD2 3.99Å; Y98-L183 WeakPolarHBondContact OH-CD2 3.27Å; Y98-F186 HydrophobicContact CE1-CE2 4.17Å; Y98-F186 HydrophobicContact CE1-CZ 4.27Å; Y98-F186 WeakPolarHBondContact OH-CZ 3.35Å; Y98-L211 WeakPolarHBondContact CE2-O 3.46Å; Y98-L211 PolarHBondContact OH-O 3.01Å; Y98-M214 HydrophobicContact CD2-CB 4.21Å; Y98-M214 HydrophobicContact CE2-CB 3.81Å; Y98-L215 HydrophobicContact CD1-CD1 3.79Å; Y98-L215 HydrophobicContact CD2-CB 4.12Å; Y98-L215 HydrophobicContact CD2-CD1 3.95Å; Y98-L215 HydrophobicContact CE1-CD1 4Å; Y98-L215 HydrophobicContact CE2-CB 3.81Å; Y98-L215 HydrophobicContact CE2-CD1 4.15Å; Y98-L215 HydrophobicContact CG-CD1 3.78Å; Y98-A218 HydrophobicContact CD2-CB 4.43Å
99	Q	98.7	Very high	98.6	Very high	32 Å²	32	54.9 Å²	54.9	15%	0.15	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-37	176.3	66.3	99.9	8	0	0	112.1	F95 L96 I102 K103 L132 V135 E136	F95-Q99 WeakPolarHBondContact O-CG 3.43Å; F95-Q99 PolarHBondContact O-N 3.09Å; L96-Q99 WeakPolarHBondContact O-CG 3.47Å; L96-Q99 PolarHBondContact O-NE2 3.46Å; Q99-I102 PolarHBondContact O-N 3.1Å; Q99-K103 WeakPolarHBondContact O-CB 3.48Å; Q99-K103 PolarHBondContact O-N 3.04Å; Q99-L132 HydrophobicContact CB-CD1 3.78Å; Q99-L132 VanDerWaalsContact O-CD1 3.23Å; Q99-L132 WeakPolarHBondContact O-CD1 3.47Å; Q99-V135 HydrophobicContact CB-CB 4.32Å; Q99-V135 HydrophobicContact CB-CG1 3.83Å; Q99-E136 HydrophobicContact CB-CG 4.32Å
100	Q	98.8	Very high	98.7	Very high	81 Å²	81	49.7 Å²	49.7	38%	0.379	24%	0.239	S	C	.	.	H	α-helix	trans	-65.2	-44.4	174.7	-172.9	58.7	51	0	0	111.8	R97 Y98 I102 K103 D104	R97-Q100 WeakPolarHBondContact O-CB 3.47Å; R97-Q100 PolarHBondContact O-N 3.49Å; Y98-Q100 VanDerWaalsContact C-N 3.27Å; Y98-Q100 PolarHBondContact O-N 3.1Å; Q100-I102 PolarHBondContact O-N 3.41Å; Q100-K103 WeakPolarHBondContact O-CB 3.33Å; Q100-K103 PolarHBondContact O-N 3.01Å; Q100-K103 VanDerWaalsContact O-N 3.16Å; Q100-D104 PolarHBondContact NE2-OD1 3.16Å; Q100-D104 PolarHBondContact NE2-OD2 3.42Å; Q100-D104 VanDerWaalsContact O-CG 3.32Å; Q100-D104 PolarHBondContact O-N 3.11Å
101	L	98.9	Very high	98.7	Very high	47 Å²	47	55.3 Å²	55.3	25%	0.246	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-41.7	177.3	-71.6	166.5	0	0	0	112.4	R97 Y98 N105 M214 D217 A218	R97-L101 PolarHBondContact O-N 3.45Å; Y98-L101 PolarHBondContact O-N 3.49Å; L101-N105 WeakPolarHBondContact O-CB 3.27Å; L101-N105 PolarHBondContact O-N 2.93Å; L101-N105 PolarHBondContact O-ND2 3.08Å; L101-M214 HydrophobicContact CB-CB 4.28Å; L101-M214 HydrophobicContact CB-CG 4.5Å; L101-M214 VanDerWaalsContact CD1-O 3.28Å; L101-M214 WeakPolarHBondContact CD1-O 3.37Å; L101-D217 HydrophobicContact CD1-CB 4.02Å; L101-A218 HydrophobicContact CD1-CB 4.01Å
102	I	98.9	Very high	98.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-47.5	174.2	-65	169.2	0	0	0	109.9	Y98 Q99 Q100 D104 N105 I106 L109 V128 L132 V135 L183 L211 M214	Y98-I102 HydrophobicContact CD1-CD1 4.14Å; Y98-I102 HydrophobicContact CD2-CD1 4.43Å; Y98-I102 HydrophobicContact CD2-CG1 4.4Å; Y98-I102 HydrophobicContact CE1-CD1 3.67Å; Y98-I102 HydrophobicContact CE2-CD1 3.99Å; Y98-I102 HydrophobicContact CE2-CG1 4Å; Y98-I102 HydrophobicContact CG-CD1 4.48Å; Y98-I102 WeakPolarHBondContact O-CG1 3.46Å; Y98-I102 PolarHBondContact O-N 2.91Å; Q99-I102 PolarHBondContact O-N 3.1Å; Q100-I102 PolarHBondContact O-N 3.41Å; I102-D104 VanDerWaalsContact C-N 3.31Å; I102-D104 PolarHBondContact O-N 3.15Å; I102-N105 CarbonylContact O-C 3.55Å; I102-N105 PolarHBondContact O-N 2.84Å; I102-N105 VanDerWaalsContact O-N 3.08Å; I102-I106 WeakPolarHBondContact O-CG1 3.2Å; I102-I106 PolarHBondContact O-N 3.32Å; I102-L109 HydrophobicContact CG2-CD1 4.01Å; I102-V128 HydrophobicContact CG2-CG1 3.74Å; I102-L132 HydrophobicContact CB-CD1 4.02Å; I102-L132 HydrophobicContact CG2-CB 4.01Å; I102-L132 HydrophobicContact CG2-CD1 4.05Å; I102-L132 HydrophobicContact CG2-CG 4.44Å; I102-V135 HydrophobicContact CD1-CG2 3.92Å; I102-L183 HydrophobicContact CD1-CD1 4.12Å; I102-L183 HydrophobicContact CD1-CD2 4.12Å; I102-L211 HydrophobicContact CD1-CD2 4.12Å; I102-L211 HydrophobicContact CG1-CD2 3.92Å; I102-M214 HydrophobicContact CG1-SD 4.41Å
103	K	98.6	Very high	98.7	Very high	108 Å²	108	54.1 Å²	54.1	47%	0.47	25%	0.248	S	C	.	.	H	α-helix	trans	-58.5	-42	-177.8	-171.7	176.9	-176.9	172.1	0	112.5	Q99 Q100 N105 I106 L132	Q99-K103 WeakPolarHBondContact O-CB 3.48Å; Q99-K103 PolarHBondContact O-N 3.04Å; Q100-K103 WeakPolarHBondContact O-CB 3.33Å; Q100-K103 PolarHBondContact O-N 3.01Å; Q100-K103 VanDerWaalsContact O-N 3.16Å; K103-N105 PolarHBondContact O-N 3.38Å; K103-I106 WeakPolarHBondContact O-CG1 3.3Å; K103-L132 HydrophobicContact CB-CD2 4.05Å; K103-L132 HydrophobicContact CG-CD2 4.33Å
104	D	98.6	Very high	98.7	Very high	107 Å²	107	50.3 Å²	50.3	57%	0.572	23%	0.231	S	C	*	.	H	α-helix	trans	-71.6	-20.3	179.9	-66.7	-26.6	0	0	0	112.8	Q100 I102	Q100-D104 PolarHBondContact NE2-OD1 3.16Å; Q100-D104 PolarHBondContact NE2-OD2 3.42Å; Q100-D104 VanDerWaalsContact O-CG 3.32Å; Q100-D104 PolarHBondContact O-N 3.11Å; I102-D104 VanDerWaalsContact C-N 3.31Å; I102-D104 PolarHBondContact O-N 3.15Å
105	N	98.7	Very high	98.7	Very high	50 Å²	50	53.7 Å²	53.7	27%	0.267	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	16.9	-174	-64.3	-77.7	0	0	0	114	L101 I102 K103 K107 E108 L109 M214	L101-N105 WeakPolarHBondContact O-CB 3.27Å; L101-N105 PolarHBondContact O-N 2.93Å; L101-N105 PolarHBondContact O-ND2 3.08Å; I102-N105 CarbonylContact O-C 3.55Å; I102-N105 PolarHBondContact O-N 2.84Å; I102-N105 VanDerWaalsContact O-N 3.08Å; K103-N105 PolarHBondContact O-N 3.38Å; N105-K107 PolarHBondContact O-N 3.14Å; N105-K107 VanDerWaalsContact O-N 3.14Å; N105-E108 PolarHBondContact O-N 2.84Å; N105-L109 PolarHBondContact O-N 3.23Å; N105-L109 VanDerWaalsContact O-N 3.08Å; N105-M214 HydrophobicContact CB-CE 3.35Å; N105-M214 HydrophobicContact CB-SD 4.31Å
106	I	98.7	Very high	98.7	Very high	34 Å²	34	54.1 Å²	54.1	17%	0.174	25%	0.251	C	S	.	.	H	α-helix	trans	-49.8	-44.5	-179.3	-70.5	175.3	0	0	0	111.9	I102 K103 E108 L109 A110 E125 V128 L132	I102-I106 WeakPolarHBondContact O-CG1 3.2Å; I102-I106 PolarHBondContact O-N 3.32Å; K103-I106 WeakPolarHBondContact O-CG1 3.3Å; I106-E108 PolarHBondContact O-N 3.06Å; I106-L109 PolarHBondContact O-N 3.37Å; I106-A110 VanDerWaalsContact O-CB 3.27Å; I106-A110 WeakPolarHBondContact O-CB 3.48Å; I106-A110 PolarHBondContact O-N 2.94Å; I106-E125 HydrophobicContact CG2-CB 4.13Å; I106-E125 HydrophobicContact CG2-CG 3.96Å; I106-V128 HydrophobicContact CB-CG1 4.44Å; I106-V128 HydrophobicContact CG1-CG1 4Å; I106-V128 HydrophobicContact CG2-CB 4.47Å; I106-V128 HydrophobicContact CG2-CG1 4.43Å; I106-L132 HydrophobicContact CD1-CD2 4.34Å
107	K	98.4	Very high	98.7	Very high	151 Å²	151	51.3 Å²	51.3	66%	0.657	24%	0.236	S	C	*	.	H	α-helix	trans	-66.2	-36	-178.2	-67.9	-177.9	177.6	179.7	0	113	N105 R111	N105-K107 PolarHBondContact O-N 3.14Å; N105-K107 VanDerWaalsContact O-N 3.14Å; K107-R111 WeakPolarHBondContact O-CG 3.47Å; K107-R111 PolarHBondContact O-N 3.43Å; K107-R111 VanDerWaalsContact O-N 3.1Å; K107-R111 PolarHBondContact O-NE 3.21Å
108	E	98.4	Very high	98.6	Very high	82 Å²	82	46.1 Å²	46.1	38%	0.383	22%	0.217	S	C	.	.	H	α-helix	trans	-69.5	-47.1	177.4	-175.7	178.1	174.2	0	0	110.8	N105 I106 A110 R111 S112	N105-E108 PolarHBondContact O-N 2.84Å; I106-E108 PolarHBondContact O-N 3.06Å; E108-A110 PolarHBondContact O-N 3.26Å; E108-R111 PolarHBondContact O-N 3.14Å; E108-S112 PolarHBondContact O-N 3.43Å; E108-S112 VanDerWaalsContact O-N 3.17Å
109	L	98.8	Very high	98.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-56.8	-50.2	174.2	-67.1	166.5	0	0	0	110.3	I102 N105 I106 R111 S112 I113 V128 L210 L211 M214	I102-L109 HydrophobicContact CG2-CD1 4.01Å; N105-L109 PolarHBondContact O-N 3.23Å; N105-L109 VanDerWaalsContact O-N 3.08Å; I106-L109 PolarHBondContact O-N 3.37Å; L109-R111 VanDerWaalsContact C-N 3.34Å; L109-R111 PolarHBondContact O-N 2.78Å; L109-S112 PolarHBondContact O-N 3.16Å; L109-S112 PolarHBondContact O-OG 2.82Å; L109-I113 WeakPolarHBondContact O-CG1 3.38Å; L109-I113 PolarHBondContact O-N 3.47Å; L109-V128 HydrophobicContact CB-CG1 4.28Å; L109-V128 HydrophobicContact CB-CG2 3.58Å; L109-V128 HydrophobicContact CD1-CG1 3.68Å; L109-V128 HydrophobicContact CD1-CG2 4.42Å; L109-L210 HydrophobicContact CD2-CB 3.66Å; L109-L210 HydrophobicContact CD2-CD1 4.18Å; L109-L211 HydrophobicContact CD1-CD2 3.97Å; L109-L211 HydrophobicContact CD2-CD2 4.02Å; L109-L211 HydrophobicContact CD2-CG 4.09Å; L109-M214 HydrophobicContact CD1-CE 4.11Å; L109-M214 HydrophobicContact CD1-SD 4.14Å; L109-M214 HydrophobicContact CD2-CE 3.96Å; L109-M214 HydrophobicContact CD2-SD 4.43Å; L109-M214 HydrophobicContact CG-CE 3.97Å
110	A	98.8	Very high	98.6	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-57.6	-43	180	0	0	0	0	0	112.9	I106 E108 S112 I113 T114 A124 E125	I106-A110 VanDerWaalsContact O-CB 3.27Å; I106-A110 WeakPolarHBondContact O-CB 3.48Å; I106-A110 PolarHBondContact O-N 2.94Å; E108-A110 PolarHBondContact O-N 3.26Å; A110-S112 VanDerWaalsContact C-N 3.34Å; A110-S112 PolarHBondContact O-N 3Å; A110-I113 PolarHBondContact O-N 3.41Å; A110-T114 PolarHBondContact O-N 2.91Å; A110-T114 PolarHBondContact O-OG1 3.11Å; A110-A124 HydrophobicContact CB-CB 3.79Å; A110-A124 WeakPolarHBondContact O-CB 3.19Å; A110-E125 HydrophobicContact CB-CB 4.5Å; A110-E125 HydrophobicContact CB-CG 3.67Å
111	R	98.6	Very high	98.6	Very high	156 Å²	156	44.3 Å²	44.3	59%	0.589	21%	0.211	S	C	*	.	H	α-helix	trans	-59.7	-42.4	175.1	-75.3	-177.2	-60.7	-158.7	3.4	112.4	K107 E108 L109 I113 T114 L115 L121	K107-R111 WeakPolarHBondContact O-CG 3.47Å; K107-R111 PolarHBondContact O-N 3.43Å; K107-R111 VanDerWaalsContact O-N 3.1Å; K107-R111 PolarHBondContact O-NE 3.21Å; E108-R111 PolarHBondContact O-N 3.14Å; L109-R111 VanDerWaalsContact C-N 3.34Å; L109-R111 PolarHBondContact O-N 2.78Å; R111-I113 VanDerWaalsContact C-N 3.33Å; R111-I113 PolarHBondContact O-N 2.83Å; R111-T114 PolarHBondContact O-N 3.35Å; R111-L115 WeakPolarHBondContact O-CB 3.44Å; R111-L115 PolarHBondContact O-N 2.91Å; R111-L121 HydrophobicContact CG-CD2 3.99Å
112	S	98.4	Very high	98.5	Very high	15 Å²	15	45.4 Å²	45.4	11%	0.105	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-40.2	177.2	74.6	0	0	0	0	112	E108 L109 A110 L115 E116 C207	E108-S112 PolarHBondContact O-N 3.43Å; E108-S112 VanDerWaalsContact O-N 3.17Å; L109-S112 PolarHBondContact O-N 3.16Å; L109-S112 PolarHBondContact O-OG 2.82Å; A110-S112 VanDerWaalsContact C-N 3.34Å; A110-S112 PolarHBondContact O-N 3Å; S112-L115 PolarHBondContact O-N 3.42Å; S112-E116 PolarHBondContact O-N 3.4Å; S112-C207 WeakPolarHBondContact OG-CA 3.4Å; S112-C207 WeakPolarHBondContact OG-CB 3.43Å
113	I	98.8	Very high	98.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-48.9	176.7	-58.7	174.4	0	0	0	110.4	L109 A110 R111 L115 E116 Q117 K119 A124 D127 V128 P178 A179 C207	L109-I113 WeakPolarHBondContact O-CG1 3.38Å; L109-I113 PolarHBondContact O-N 3.47Å; A110-I113 PolarHBondContact O-N 3.41Å; R111-I113 VanDerWaalsContact C-N 3.33Å; R111-I113 PolarHBondContact O-N 2.83Å; I113-L115 VanDerWaalsContact C-N 3.28Å; I113-L115 PolarHBondContact O-N 2.97Å; I113-E116 PolarHBondContact O-N 3.43Å; I113-Q117 HydrophobicContact CG2-CB 4.13Å; I113-Q117 WeakPolarHBondContact O-CA 3.24Å; I113-Q117 WeakPolarHBondContact O-CB 3.34Å; I113-Q117 PolarHBondContact O-N 2.83Å; I113-K119 HydrophobicContact CG2-CD 3.72Å; I113-K119 HydrophobicContact CG2-CG 4.05Å; I113-A124 HydrophobicContact CB-CB 3.96Å; I113-A124 HydrophobicContact CD1-CB 4.49Å; I113-A124 HydrophobicContact CG2-CB 4.03Å; I113-D127 HydrophobicContact CD1-CB 4.2Å; I113-V128 HydrophobicContact CD1-CG2 3.65Å; I113-P178 HydrophobicContact CB-CG 4.41Å; I113-P178 HydrophobicContact CD1-CG 4.45Å; I113-P178 HydrophobicContact CG1-CG 3.96Å; I113-P178 HydrophobicContact CG2-CG 3.92Å; I113-A179 HydrophobicContact CD1-CB 3.87Å; I113-C207 HydrophobicContact CD1-CB 4.43Å; I113-C207 HydrophobicContact CG1-CB 3.68Å
114	T	98.7	Very high	98.5	Very high	9 Å²	9	42 Å²	42	6%	0.055	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-39.5	179.1	-69.8	0	0	0	0	111.7	A110 R111 G118 K119 L121 G338 D339	A110-T114 PolarHBondContact O-N 2.91Å; A110-T114 PolarHBondContact O-OG1 3.11Å; R111-T114 PolarHBondContact O-N 3.35Å; T114-G118 WeakPolarHBondContact O-CA 3.22Å; T114-G118 PolarHBondContact O-N 3.31Å; T114-K119 WeakPolarHBondContact CB-O 3.38Å; T114-K119 VanDerWaalsContact CG2-O 3.26Å; T114-K119 WeakPolarHBondContact CG2-O 3.43Å; T114-K119 PolarHBondContact OG1-O 3.01Å; T114-L121 HydrophobicContact CG2-CD2 4.39Å; T114-G338 VanDerWaalsContact CG2-C 3.5Å; T114-D339 HydrophobicContact CG2-CB 4.09Å
115	L	98.4	Very high	98.5	Very high	84 Å²	84	40.7 Å²	40.7	44%	0.44	20%	0.204	S	C	.	.	H	α-helix	trans	-63.7	-45.2	-179.7	180	62.3	0	0	0	113	I58 R111 S112 I113	I58-L115 HydrophobicContact CD1-CD1 4.18Å; I58-L115 HydrophobicContact CD1-CD2 4.25Å; I58-L115 HydrophobicContact CD1-CG 3.73Å; R111-L115 WeakPolarHBondContact O-CB 3.44Å; R111-L115 PolarHBondContact O-N 2.91Å; S112-L115 PolarHBondContact O-N 3.42Å; I113-L115 VanDerWaalsContact C-N 3.28Å; I113-L115 PolarHBondContact O-N 2.97Å
116	E	98.6	Very high	98.5	Very high	9 Å²	9	39.8 Å²	39.8	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-90.9	-34.2	-177.2	-61.2	-175	141.2	0	0	113.1	I49 P52 I58 S112 I113 V204 A206 I349	I49-E116 HydrophobicContact CG2-CB 4.36Å; I49-E116 HydrophobicContact CG2-CG 4Å; P52-E116 WeakPolarHBondContact CD-O 3.32Å; I58-E116 HydrophobicContact CD1-CG 3.98Å; S112-E116 PolarHBondContact O-N 3.4Å; I113-E116 PolarHBondContact O-N 3.43Å; E116-V204 HydrophobicContact CB-CB 4.12Å; E116-V204 HydrophobicContact CB-CG1 3.82Å; E116-V204 WeakPolarHBondContact OE2-CA 3.42Å; E116-A206 VanDerWaalsContact CD-CB 3.4Å; E116-A206 HydrophobicContact CG-CB 4.47Å; E116-A206 VanDerWaalsContact OE1-CB 3.31Å; E116-A206 WeakPolarHBondContact OE1-CB 3.39Å; E116-A206 VanDerWaalsContact OE2-CB 3.23Å; E116-A206 WeakPolarHBondContact OE2-CB 3.49Å; E116-A206 PolarHBondContact OE2-N 2.79Å; E116-I349 WeakPolarHBondContact O-CD1 3.33Å
117	Q	98.6	Very high	98.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-96.8	-32.7	-174.3	-161.2	-78.1	-33.3	0	0	113.3	I113 K119 F175 V204 I349	I113-Q117 HydrophobicContact CG2-CB 4.13Å; I113-Q117 WeakPolarHBondContact O-CA 3.24Å; I113-Q117 WeakPolarHBondContact O-CB 3.34Å; I113-Q117 PolarHBondContact O-N 2.83Å; Q117-K119 VanDerWaalsContact OE1-CG 3.27Å; Q117-F175 HydrophobicContact CG-CD2 4.35Å; Q117-F175 WeakPolarHBondContact CG-O 3.31Å; Q117-V204 HydrophobicContact CB-CG1 3.74Å; Q117-V204 HydrophobicContact CG-CG1 4.14Å; Q117-I349 HydrophobicContact CG-CD1 4.37Å
118	G	98.3	Very high	98.5	Very high	2 Å²	2	31 Å²	31	2%	0.021	17%	0.167	C	C	.	.			trans	96.3	-16	176.3	0	0	0	0	0	116.4	T114 G338 P347	T114-G118 WeakPolarHBondContact O-CA 3.22Å; T114-G118 PolarHBondContact O-N 3.31Å; G118-G338 WeakPolarHBondContact O-CA 2.83Å; G118-P347 WeakPolarHBondContact O-CD 3.43Å
119	K	98.6	Very high	98.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	17%	0.169	C	C	.	.			trans	-57.6	158.2	177.4	66.4	-177.5	71	176.6	0	112.3	I113 T114 Q117 D123 A124 D127 N176 A302	I113-K119 HydrophobicContact CG2-CD 3.72Å; I113-K119 HydrophobicContact CG2-CG 4.05Å; T114-K119 WeakPolarHBondContact CB-O 3.38Å; T114-K119 VanDerWaalsContact CG2-O 3.26Å; T114-K119 WeakPolarHBondContact CG2-O 3.43Å; T114-K119 PolarHBondContact OG1-O 3.01Å; Q117-K119 VanDerWaalsContact OE1-CG 3.27Å; K119-D123 HydrophobicContact CB-CB 4.07Å; K119-D123 HydrophobicContact CD-CB 4.04Å; K119-D123 HydrophobicContact CG-CB 4.25Å; K119-A124 HydrophobicContact CD-CB 3.98Å; K119-A124 HydrophobicContact CG-CB 4.01Å; K119-D127 IonicContact NZ-OD2 2.79Å; K119-D127 PolarHBondContact NZ-OD2 3.01Å; K119-N176 WeakPolarHBondContact CE-O 3.4Å; K119-N176 PolarHBondContact NZ-O 2.66Å; K119-A302 HydrophobicContact CB-CB 4.24Å
120	T	98.5	Very high	98.4	Very high	9 Å²	9	34.6 Å²	34.6	6%	0.055	18%	0.18	C	C	.	.			trans	-58.7	152.3	177.3	76.9	0	0	0	0	111	A122 D123 A124 G338 V343	T120-A122 PolarHBondContact O-N 3.25Å; T120-D123 PolarHBondContact O-N 2.98Å; T120-D123 VanDerWaalsContact O-N 3.11Å; T120-D123 WeakPolarHBondContact OG1-CB 3.28Å; T120-D123 PolarHBondContact OG1-N 3.5Å; T120-D123 VanDerWaalsContact OG1-N 3.14Å; T120-A124 PolarHBondContact O-N 3.21Å; T120-G338 WeakPolarHBondContact CA-O 3.31Å; T120-V343 HydrophobicContact CG2-CG1 3.76Å; T120-V343 HydrophobicContact CG2-CG2 4.46Å
121	L	98.3	Very high	98.4	Very high	64 Å²	64	34.6 Å²	34.6	34%	0.335	18%	0.18	S	C	.	.	H	α-helix	trans	-55.4	-39.4	175.8	-74.4	169.6	0	0	0	112.2	R111 T114 A124 E125 G338	R111-L121 HydrophobicContact CG-CD2 3.99Å; T114-L121 HydrophobicContact CG2-CD2 4.39Å; L121-A124 PolarHBondContact O-N 3.13Å; L121-E125 WeakPolarHBondContact O-CG 3.42Å; L121-E125 PolarHBondContact O-N 3.04Å; L121-G338 PolarHBondContact N-O 3.39Å; L121-G338 VanDerWaalsContact N-O 3.15Å
122	A	97.8	Very high	98.4	Very high	70 Å²	70	27.3 Å²	27.3	58%	0.579	15%	0.152	S	C	*	.	H	α-helix	trans	-63.9	-41.6	177.4	0	0	0	0	0	112.3	T120 A124 E125 G126	T120-A122 PolarHBondContact O-N 3.25Å; A122-A124 VanDerWaalsContact C-N 3.33Å; A122-E125 PolarHBondContact O-N 2.89Å; A122-G126 PolarHBondContact O-N 3.04Å
123	D	97.9	Very high	98.4	Very high	38 Å²	38	28.4 Å²	28.4	20%	0.203	16%	0.156	C	C	.	.	H	α-helix	trans	-67.9	-33.8	175	-81.7	-27.2	0	0	0	112.2	K119 T120 G126 D127 A302 R306	K119-D123 HydrophobicContact CB-CB 4.07Å; K119-D123 HydrophobicContact CD-CB 4.04Å; K119-D123 HydrophobicContact CG-CB 4.25Å; T120-D123 PolarHBondContact O-N 2.98Å; T120-D123 VanDerWaalsContact O-N 3.11Å; T120-D123 WeakPolarHBondContact OG1-CB 3.28Å; T120-D123 PolarHBondContact OG1-N 3.5Å; T120-D123 VanDerWaalsContact OG1-N 3.14Å; D123-G126 PolarHBondContact O-N 3.18Å; D123-D127 WeakPolarHBondContact O-CB 3.36Å; D123-D127 PolarHBondContact O-N 3.39Å; D123-A302 VanDerWaalsContact OD2-CA 3.3Å; D123-A302 WeakPolarHBondContact OD2-CA 3.48Å; D123-A302 PolarHBondContact OD2-N 3.43Å; D123-R306 IonicContact OD1-CZ 3.15Å; D123-R306 IonicContact OD1-NH2 3.95Å; D123-R306 PolarHBondContact OD1-NH2 3.19Å; D123-R306 IonicContact OD2-NH2 3.92Å; D123-R306 PolarHBondContact OD2-NH2 2.71Å
124	A	98.6	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-70.4	-38.8	174.7	0	0	0	0	0	112.5	A110 I113 K119 T120 L121 A122 G126 D127 V128	A110-A124 HydrophobicContact CB-CB 3.79Å; A110-A124 WeakPolarHBondContact O-CB 3.19Å; I113-A124 HydrophobicContact CB-CB 3.96Å; I113-A124 HydrophobicContact CD1-CB 4.49Å; I113-A124 HydrophobicContact CG2-CB 4.03Å; K119-A124 HydrophobicContact CD-CB 3.98Å; K119-A124 HydrophobicContact CG-CB 4.01Å; T120-A124 PolarHBondContact O-N 3.21Å; L121-A124 PolarHBondContact O-N 3.13Å; A122-A124 VanDerWaalsContact C-N 3.33Å; A124-G126 VanDerWaalsContact C-N 3.3Å; A124-D127 WeakPolarHBondContact O-CB 3.4Å; A124-D127 PolarHBondContact O-N 2.92Å; A124-V128 WeakPolarHBondContact O-CG2 3.47Å; A124-V128 PolarHBondContact O-N 3.07Å; A124-V128 VanDerWaalsContact O-N 3.08Å
125	E	98.5	Very high	98.4	Very high	79 Å²	79	28 Å²	28	37%	0.369	15%	0.153	S	C	.	.	H	α-helix	trans	-62.9	-40.4	170.4	-71	-177.5	169.6	0	0	110.8	I106 A110 L121 A122 V128 F129	I106-E125 HydrophobicContact CG2-CB 4.13Å; I106-E125 HydrophobicContact CG2-CG 3.96Å; A110-E125 HydrophobicContact CB-CB 4.5Å; A110-E125 HydrophobicContact CB-CG 3.67Å; L121-E125 WeakPolarHBondContact O-CG 3.42Å; L121-E125 PolarHBondContact O-N 3.04Å; A122-E125 PolarHBondContact O-N 2.89Å; E125-V128 PolarHBondContact O-N 3.05Å; E125-F129 WeakPolarHBondContact O-CB 3.26Å; E125-F129 PolarHBondContact O-N 2.93Å
126	G	98.1	Very high	98.4	Very high	30 Å²	30	27.5 Å²	27.5	31%	0.309	15%	0.149	S	C	.	.	H	α-helix	trans	-61	-41.9	173	0	0	0	0	0	113.4	A122 D123 A124 F129 R130	A122-G126 PolarHBondContact O-N 3.04Å; D123-G126 PolarHBondContact O-N 3.18Å; A124-G126 VanDerWaalsContact C-N 3.3Å; G126-F129 PolarHBondContact O-N 3.31Å; G126-R130 WeakPolarHBondContact O-CB 3.36Å; G126-R130 WeakPolarHBondContact O-CG 3.42Å; G126-R130 PolarHBondContact O-N 2.9Å
127	D	98.6	Very high	98.4	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.011	15%	0.152	C	C	.	.	H	α-helix	trans	-56.5	-53.2	173.8	-174.3	-13.5	0	0	0	111.3	I113 K119 D123 A124 F129 R130 G131 F177 P178 A179 M180	I113-D127 HydrophobicContact CD1-CB 4.2Å; K119-D127 IonicContact NZ-OD2 2.79Å; K119-D127 PolarHBondContact NZ-OD2 3.01Å; D123-D127 WeakPolarHBondContact O-CB 3.36Å; D123-D127 PolarHBondContact O-N 3.39Å; A124-D127 WeakPolarHBondContact O-CB 3.4Å; A124-D127 PolarHBondContact O-N 2.92Å; D127-F129 PolarHBondContact O-N 2.96Å; D127-R130 PolarHBondContact O-N 2.96Å; D127-G131 PolarHBondContact O-N 2.92Å; D127-F177 HydrophobicContact CB-CD1 4.03Å; D127-F177 VanDerWaalsContact OD2-CA 3.29Å; D127-F177 WeakPolarHBondContact OD2-CA 3.22Å; D127-P178 WeakPolarHBondContact OD2-CD 3.41Å; D127-A179 PolarHBondContact OD1-N 3.47Å; D127-M180 WeakPolarHBondContact O-CB 3.43Å; D127-M180 WeakPolarHBondContact OD1-CB 3.36Å; D127-M180 PolarHBondContact OD1-N 3.25Å
128	V	98.8	Very high	98.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62	-46.6	177.7	179.4	0	0	0	0	111	I102 I106 L109 I113 A124 E125 R130 G131 L132 A179	I102-V128 HydrophobicContact CG2-CG1 3.74Å; I106-V128 HydrophobicContact CB-CG1 4.44Å; I106-V128 HydrophobicContact CG1-CG1 4Å; I106-V128 HydrophobicContact CG2-CB 4.47Å; I106-V128 HydrophobicContact CG2-CG1 4.43Å; L109-V128 HydrophobicContact CB-CG1 4.28Å; L109-V128 HydrophobicContact CB-CG2 3.58Å; L109-V128 HydrophobicContact CD1-CG1 3.68Å; L109-V128 HydrophobicContact CD1-CG2 4.42Å; I113-V128 HydrophobicContact CD1-CG2 3.65Å; A124-V128 WeakPolarHBondContact O-CG2 3.47Å; A124-V128 PolarHBondContact O-N 3.07Å; A124-V128 VanDerWaalsContact O-N 3.08Å; E125-V128 PolarHBondContact O-N 3.05Å; V128-R130 PolarHBondContact O-N 2.91Å; V128-G131 PolarHBondContact O-N 3Å; V128-L132 WeakPolarHBondContact O-CB 3.09Å; V128-L132 PolarHBondContact O-N 2.86Å; V128-A179 HydrophobicContact CB-CB 4.48Å; V128-A179 HydrophobicContact CG2-CB 3.93Å
129	F	98.5	Very high	98.4	Very high	95 Å²	95	28.9 Å²	28.9	42%	0.417	16%	0.156	S	C	.	.	H	α-helix	trans	-60.3	-46	-177.9	-178.6	-102.7	0	0	0	111.7	E125 G126 D127 G131 L132 Q133	E125-F129 WeakPolarHBondContact O-CB 3.26Å; E125-F129 PolarHBondContact O-N 2.93Å; G126-F129 PolarHBondContact O-N 3.31Å; D127-F129 PolarHBondContact O-N 2.96Å; F129-G131 VanDerWaalsContact C-N 3.3Å; F129-G131 PolarHBondContact O-N 3.4Å; F129-L132 WeakPolarHBondContact O-CB 3.25Å; F129-L132 PolarHBondContact O-N 3.02Å; F129-Q133 HydrophobicContact CD1-CG 4.42Å; F129-Q133 HydrophobicContact CE1-CG 4.07Å; F129-Q133 HydrophobicContact CZ-CG 4.2Å; F129-Q133 WeakPolarHBondContact O-CG 3.24Å; F129-Q133 PolarHBondContact O-N 3.44Å
130	R	98.1	Very high	98.3	Very high	62 Å²	62	31.4 Å²	31.4	23%	0.234	18%	0.175	C	C	.	.	H	α-helix	trans	-65.3	-33.7	178.6	-67.5	-65.7	-70	-172.9	-10.1	112.5	G126 D127 V128 M180 V467 P468	G126-R130 WeakPolarHBondContact O-CB 3.36Å; G126-R130 WeakPolarHBondContact O-CG 3.42Å; G126-R130 PolarHBondContact O-N 2.9Å; D127-R130 PolarHBondContact O-N 2.96Å; V128-R130 PolarHBondContact O-N 2.91Å; R130-M180 HydrophobicContact CB-CG 3.89Å; R130-M180 HydrophobicContact CB-SD 3.53Å; R130-M180 VanDerWaalsContact CB-SD 3.53Å; R130-M180 HydrophobicContact CG-SD 4.3Å; R130-V467 PolarHBondContact NH2-O 2.81Å; R130-P468 PolarHBondContact NH2-O 3.29Å
131	G	98.4	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.7	-43.9	170.5	0	0	0	0	0	112.9	D127 V128 F129 Q133 V134 V135	D127-G131 PolarHBondContact O-N 2.92Å; V128-G131 PolarHBondContact O-N 3Å; F129-G131 VanDerWaalsContact C-N 3.3Å; F129-G131 PolarHBondContact O-N 3.4Å; G131-Q133 VanDerWaalsContact C-N 3.28Å; G131-Q133 PolarHBondContact O-N 2.83Å; G131-V134 WeakPolarHBondContact O-CB 3.46Å; G131-V134 PolarHBondContact O-N 2.87Å; G131-V135 PolarHBondContact O-N 2.85Å
132	L	98.7	Very high	98.1	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-54.9	-43.3	176.2	169.1	65.5	0	0	0	111.4	Q99 I102 K103 I106 V128 F129 V134 V135 E136	Q99-L132 HydrophobicContact CB-CD1 3.78Å; Q99-L132 VanDerWaalsContact O-CD1 3.23Å; Q99-L132 WeakPolarHBondContact O-CD1 3.47Å; I102-L132 HydrophobicContact CB-CD1 4.02Å; I102-L132 HydrophobicContact CG2-CB 4.01Å; I102-L132 HydrophobicContact CG2-CD1 4.05Å; I102-L132 HydrophobicContact CG2-CG 4.44Å; K103-L132 HydrophobicContact CB-CD2 4.05Å; K103-L132 HydrophobicContact CG-CD2 4.33Å; I106-L132 HydrophobicContact CD1-CD2 4.34Å; V128-L132 WeakPolarHBondContact O-CB 3.09Å; V128-L132 PolarHBondContact O-N 2.86Å; F129-L132 WeakPolarHBondContact O-CB 3.25Å; F129-L132 PolarHBondContact O-N 3.02Å; L132-V134 PolarHBondContact O-N 2.93Å; L132-V135 CarbonylContact O-C 3.55Å; L132-V135 WeakPolarHBondContact O-CA 3.37Å; L132-V135 WeakPolarHBondContact O-CB 3.3Å; L132-V135 PolarHBondContact O-N 2.82Å; L132-E136 HydrophobicContact CD1-CG 4.32Å; L132-E136 HydrophobicContact CG-CG 4.4Å; L132-E136 PolarHBondContact O-N 2.83Å
133	Q	98.5	Very high	98.1	Very high	38 Å²	38	31 Å²	31	18%	0.178	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-28.5	179.3	-60.2	-175.7	-60.9	0	0	112.8	F129 G131 H137 P470	F129-Q133 HydrophobicContact CD1-CG 4.42Å; F129-Q133 HydrophobicContact CE1-CG 4.07Å; F129-Q133 HydrophobicContact CZ-CG 4.2Å; F129-Q133 WeakPolarHBondContact O-CG 3.24Å; F129-Q133 PolarHBondContact O-N 3.44Å; G131-Q133 VanDerWaalsContact C-N 3.28Å; G131-Q133 PolarHBondContact O-N 2.83Å; Q133-H137 PolarHBondContact O-N 2.84Å; Q133-P470 HydrophobicContact CB-CG 3.53Å; Q133-P470 WeakPolarHBondContact O-CG 3.31Å
134	V	98.6	Very high	98	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-71.3	-39.7	172.7	178.4	0	0	0	0	111.1	G131 L132 E136 H137 T138 L183 W184 M188 P470 Y488	G131-V134 WeakPolarHBondContact O-CB 3.46Å; G131-V134 PolarHBondContact O-N 2.87Å; L132-V134 PolarHBondContact O-N 2.93Å; V134-E136 VanDerWaalsContact C-N 3.32Å; V134-E136 PolarHBondContact O-N 2.73Å; V134-H137 WeakPolarHBondContact O-CB 3.41Å; V134-H137 PolarHBondContact O-N 2.9Å; V134-H137 VanDerWaalsContact O-N 3.11Å; V134-T138 WeakPolarHBondContact O-CG2 3.38Å; V134-T138 PolarHBondContact O-N 3.17Å; V134-L183 WeakPolarHBondContact CG1-O 3.32Å; V134-W184 VanDerWaalsContact CG2-CD1 3.49Å; V134-W184 HydrophobicContact CG2-CG 4.47Å; V134-M188 HydrophobicContact CG1-CG 3.87Å; V134-M188 HydrophobicContact CG1-SD 4.01Å; V134-P470 HydrophobicContact CG2-CB 4.01Å; V134-P470 HydrophobicContact CG2-CG 4Å; V134-Y488 HydrophobicContact CG2-CD1 4.33Å; V134-Y488 HydrophobicContact CG2-CG 4.18Å
135	V	98.7	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.7	-38.5	173.1	-170.5	0	0	0	0	111.3	F95 Y98 Q99 I102 G131 L132 H137 T138 C139 L183 P187	F95-V135 HydrophobicContact CD1-CG1 4.08Å; Y98-V135 HydrophobicContact CD1-CG1 3.53Å; Y98-V135 HydrophobicContact CD1-CG2 4.36Å; Y98-V135 HydrophobicContact CE1-CG1 4.09Å; Y98-V135 HydrophobicContact CE1-CG2 4.08Å; Y98-V135 HydrophobicContact CG-CG1 4.42Å; Q99-V135 HydrophobicContact CB-CB 4.32Å; Q99-V135 HydrophobicContact CB-CG1 3.83Å; I102-V135 HydrophobicContact CD1-CG2 3.92Å; G131-V135 PolarHBondContact O-N 2.85Å; L132-V135 CarbonylContact O-C 3.55Å; L132-V135 WeakPolarHBondContact O-CA 3.37Å; L132-V135 WeakPolarHBondContact O-CB 3.3Å; L132-V135 PolarHBondContact O-N 2.82Å; V135-H137 VanDerWaalsContact C-N 3.28Å; V135-H137 PolarHBondContact O-N 3.48Å; V135-T138 PolarHBondContact O-N 2.78Å; V135-T138 PolarHBondContact O-OG1 2.9Å; V135-C139 PolarHBondContact O-SG 3.12Å; V135-L183 HydrophobicContact CG2-CB 4.37Å; V135-L183 HydrophobicContact CG2-CD1 4.45Å; V135-L183 HydrophobicContact CG2-CD2 3.8Å; V135-L183 HydrophobicContact CG2-CG 4.43Å; V135-P187 HydrophobicContact CG2-CB 4.31Å; V135-P187 HydrophobicContact CG2-CG 4.11Å
136	E	98.6	Very high	97.9	Very high	73 Å²	73	33.4 Å²	33.4	34%	0.341	19%	0.185	S	C	.	.	H	α-helix	trans	-61.2	-40	171.9	-68.3	175.5	151.4	0	0	110.9	Q99 L132 V134 T138 C139	Q99-E136 HydrophobicContact CB-CG 4.32Å; L132-E136 HydrophobicContact CD1-CG 4.32Å; L132-E136 HydrophobicContact CG-CG 4.4Å; L132-E136 PolarHBondContact O-N 2.83Å; V134-E136 VanDerWaalsContact C-N 3.32Å; V134-E136 PolarHBondContact O-N 2.73Å; E136-T138 PolarHBondContact O-N 2.73Å; E136-C139 VanDerWaalsContact O-CB 3.22Å; E136-C139 WeakPolarHBondContact O-CB 3.43Å; E136-C139 PolarHBondContact O-N 3.37Å; E136-C139 VanDerWaalsContact O-N 3.13Å
137	H	98.3	Very high	97.8	Very high	22 Å²	22	33.6 Å²	33.6	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-35.1	176.7	-174.8	59.8	0	0	0	113.2	Q133 V134 V135 C139 S140 P470	Q133-H137 PolarHBondContact O-N 2.84Å; V134-H137 WeakPolarHBondContact O-CB 3.41Å; V134-H137 PolarHBondContact O-N 2.9Å; V134-H137 VanDerWaalsContact O-N 3.11Å; V135-H137 VanDerWaalsContact C-N 3.28Å; V135-H137 PolarHBondContact O-N 3.48Å; H137-C139 PolarHBondContact O-N 3.04Å; H137-C139 VanDerWaalsContact O-N 3.11Å; H137-S140 WeakPolarHBondContact O-CB 3.44Å; H137-S140 PolarHBondContact O-N 3.05Å; H137-P470 HydrophobicContact CB-CB 3.75Å; H137-P470 PolarHBondContact CD2-O 3.12Å; H137-P470 VanDerWaalsContact CD2-O 3.22Å
138	T	97.9	Very high	97.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-24	174.9	71	0	0	0	0	112.2	F95 V134 V135 E136 S140 I141 P187 M188 V191	F95-T138 WeakPolarHBondContact CB-OG1 3.26Å; F95-T138 WeakPolarHBondContact CG-OG1 3.33Å; V134-T138 WeakPolarHBondContact O-CG2 3.38Å; V134-T138 PolarHBondContact O-N 3.17Å; V135-T138 PolarHBondContact O-N 2.78Å; V135-T138 PolarHBondContact O-OG1 2.9Å; E136-T138 PolarHBondContact O-N 2.73Å; T138-S140 PolarHBondContact O-N 3.28Å; T138-S140 VanDerWaalsContact O-N 3.12Å; T138-I141 VanDerWaalsContact O-CB 3.23Å; T138-I141 WeakPolarHBondContact O-CB 3.45Å; T138-I141 PolarHBondContact O-N 3.43Å; T138-P187 HydrophobicContact CG2-CB 4Å; T138-M188 HydrophobicContact CG2-CG 4.44Å; T138-M188 HydrophobicContact CG2-SD 3.69Å; T138-V191 HydrophobicContact CG2-CB 4.39Å; T138-V191 HydrophobicContact CG2-CG1 3.9Å
139	C	97.6	Very high	97.7	Very high	17 Å²	17	45.7 Å²	45.7	12%	0.115	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-13.3	175.1	-57.8	0	0	0	0	112.8	Q92 L96 V135 E136 H137 I141	Q92-C139 PolarHBondContact NE2-O 2.91Å; L96-C139 HydrophobicContact CD2-CB 3.92Å; L96-C139 HydrophobicContact CG-CB 4.29Å; V135-C139 PolarHBondContact O-SG 3.12Å; E136-C139 VanDerWaalsContact O-CB 3.22Å; E136-C139 WeakPolarHBondContact O-CB 3.43Å; E136-C139 PolarHBondContact O-N 3.37Å; E136-C139 VanDerWaalsContact O-N 3.13Å; H137-C139 PolarHBondContact O-N 3.04Å; H137-C139 VanDerWaalsContact O-N 3.11Å; C139-I141 PolarHBondContact O-N 3.15Å
140	S	97.2	Very high	97.7	Very high	56 Å²	56	46.4 Å²	46.4	39%	0.392	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	8.7	171.3	-55.8	0	0	0	0	114	H137 T138 T142 S143 L144	H137-S140 WeakPolarHBondContact O-CB 3.44Å; H137-S140 PolarHBondContact O-N 3.05Å; T138-S140 PolarHBondContact O-N 3.28Å; T138-S140 VanDerWaalsContact O-N 3.12Å; S140-T142 PolarHBondContact O-N 2.91Å; S140-S143 PolarHBondContact O-N 3.07Å; S140-S143 VanDerWaalsContact O-N 3.13Å; S140-L144 WeakPolarHBondContact O-CG 3.36Å; S140-L144 PolarHBondContact O-N 3.42Å
141	I	97.4	Very high	97.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.7	-31.2	-169.9	-168.1	66.6	0	0	0	114.5	I88 Q92 T138 C139 S143 L144 M145 V191 I493	I88-I141 HydrophobicContact CG2-CB 4.48Å; I88-I141 HydrophobicContact CG2-CG1 4.22Å; I88-I141 HydrophobicContact CG2-CG2 3.75Å; Q92-I141 HydrophobicContact CB-CG2 3.91Å; Q92-I141 HydrophobicContact CG-CG2 4.33Å; T138-I141 VanDerWaalsContact O-CB 3.23Å; T138-I141 WeakPolarHBondContact O-CB 3.45Å; T138-I141 PolarHBondContact O-N 3.43Å; C139-I141 PolarHBondContact O-N 3.15Å; I141-S143 PolarHBondContact O-N 3.03Å; I141-L144 HydrophobicContact CD1-CB 4.49Å; I141-L144 PolarHBondContact O-N 2.86Å; I141-L144 VanDerWaalsContact O-N 3.15Å; I141-M145 HydrophobicContact CD1-CG 3.38Å; I141-M145 HydrophobicContact CD1-SD 4.03Å; I141-M145 HydrophobicContact CG1-CG 3.51Å; I141-M145 WeakPolarHBondContact O-CB 3.36Å; I141-M145 WeakPolarHBondContact O-CG 3.27Å; I141-M145 PolarHBondContact O-N 3.36Å; I141-V191 HydrophobicContact CB-CG2 3.71Å; I141-V191 HydrophobicContact CD1-CG1 3.76Å; I141-V191 HydrophobicContact CD1-CG2 4.23Å; I141-V191 HydrophobicContact CG1-CG1 4.3Å; I141-V191 HydrophobicContact CG1-CG2 3.81Å; I141-V191 HydrophobicContact CG2-CG2 3.79Å; I141-I493 HydrophobicContact CD1-CD1 3.74Å
142	T	96.3	Very high	97.2	Very high	49 Å²	49	51.9 Å²	51.9	30%	0.301	30%	0.304	S	S	.	.	H	α-helix	trans	-59.4	-35.6	-179.3	50.4	0	0	0	0	112.7	I88 L89 S140	I88-T142 HydrophobicContact CG2-CG2 3.93Å; L89-T142 HydrophobicContact CD2-CG2 3.69Å; S140-T142 PolarHBondContact O-N 2.91Å
143	S	96.7	Very high	97	Very high	84 Å²	84	55.4 Å²	55.4	59%	0.587	32%	0.323	S	S	*	.	H	α-helix	trans	-88.1	-30.8	176	-58.5	0	0	0	0	112	S140 I141	S140-S143 PolarHBondContact O-N 3.07Å; S140-S143 VanDerWaalsContact O-N 3.13Å; I141-S143 PolarHBondContact O-N 3.03Å
144	L	96.6	Very high	96.7	Very high	31 Å²	31	55.6 Å²	55.6	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-75	-24.4	-177.4	-63	172.5	0	0	0	113.5	S140 I141 K490 I493	S140-L144 WeakPolarHBondContact O-CG 3.36Å; S140-L144 PolarHBondContact O-N 3.42Å; I141-L144 HydrophobicContact CD1-CB 4.49Å; I141-L144 PolarHBondContact O-N 2.86Å; I141-L144 VanDerWaalsContact O-N 3.15Å; L144-K490 HydrophobicContact CD2-CG 4.33Å; L144-I493 HydrophobicContact CB-CD1 4.26Å; L144-I493 HydrophobicContact CB-CG1 4.12Å; L144-I493 HydrophobicContact CD1-CD1 4.22Å; L144-I493 HydrophobicContact CD1-CG1 4.18Å
145	M	97.3	Very high	96.4	Very high	15 Å²	15	62.6 Å²	62.6	7%	0.074	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2.5	179.9	-73.2	-66.6	-69.7	0	0	114.6	I88 I141 G147 R163 C192 I493 T497	I88-M145 HydrophobicContact CD1-CB 3.89Å; I88-M145 HydrophobicContact CD1-CG 4.48Å; I141-M145 HydrophobicContact CD1-CG 3.38Å; I141-M145 HydrophobicContact CD1-SD 4.03Å; I141-M145 HydrophobicContact CG1-CG 3.51Å; I141-M145 WeakPolarHBondContact O-CB 3.36Å; I141-M145 WeakPolarHBondContact O-CG 3.27Å; I141-M145 PolarHBondContact O-N 3.36Å; M145-G147 PolarHBondContact O-N 3.4Å; M145-R163 HydrophobicContact CE-CB 4.31Å; M145-R163 HydrophobicContact CE-CG 4.08Å; M145-R163 VanDerWaalsContact CE-O 3.25Å; M145-R163 WeakPolarHBondContact CE-O 3.43Å; M145-R163 HydrophobicContact SD-CG 4.01Å; M145-C192 HydrophobicContact SD-CB 4.41Å; M145-I493 HydrophobicContact SD-CG2 4.44Å; M145-T497 HydrophobicContact CE-CG2 4.17Å; M145-T497 HydrophobicContact SD-CG2 3.91Å
146	L	97.4	Very high	96	Very high	122 Å²	122	65.4 Å²	65.4	64%	0.639	37%	0.372	S	S	*	.			trans	-60.6	138.5	177.6	-65.5	174.1	0	0	0	110.6
147	G	96.1	Very high	95.8	Very high	35 Å²	35	64.2 Å²	64.2	36%	0.361	37%	0.367	S	S	.	.			trans	-87.8	-164.9	164.8	0	0	0	0	0	111.4	M145 T161	M145-G147 PolarHBondContact O-N 3.4Å; G147-T161 WeakPolarHBondContact CA-O 3.05Å
148	E	97.3	Very high	95.8	Very high	153 Å²	153	66.2 Å²	66.2	72%	0.715	38%	0.378	S	S	*	.			trans	-121.1	156.4	-179.3	-62.8	177.8	141.1	0	0	109.7	Y160 T161	E148-Y160 CarbonylContact O-C 3.54Å; E148-Y160 WeakPolarHBondContact O-CA 3.49Å; E148-Y160 WeakPolarHBondContact O-CB 3.37Å; E148-T161 PolarHBondContact N-OG1 2.78Å; E148-T161 PolarHBondContact O-N 2.95Å
149	T	97.8	Very high	95.8	Very high	102 Å²	102	67.7 Å²	67.7	63%	0.626	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.1	132.2	177.9	-60.4	0	0	0	0	109.7	Y160	T149-Y160 WeakPolarHBondContact OG1-CB 3.26Å
150	L	97.6	Very high	95.8	Very high	110 Å²	110	69.6 Å²	69.6	58%	0.576	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	102.5	173.1	-178.4	62.9	0	0	0	108.2	I153 T159	L150-I153 HydrophobicContact CB-CG2 4.43Å; L150-I153 HydrophobicContact CD2-CG2 3.76Å; L150-I153 HydrophobicContact CG-CG2 3.84Å; L150-T159 PolarHBondContact N-O 3.09Å; L150-T159 PolarHBondContact O-N 3.06Å
151	P	95.4	Very high	95.8	Very high	82 Å²	82	68 Å²	68	53%	0.532	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	159.8	179.7	32.3	-35.1	0	0	0	111.8	I153 D158	P151-I153 VanDerWaalsContact C-N 3.34Å; P151-I153 PolarHBondContact O-N 2.84Å; P151-D158 WeakPolarHBondContact CA-OD1 3.37Å
152	S	92.3	Very high	95.9	Very high	95 Å²	95	73.4 Å²	73.4	66%	0.664	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.3	43.8	169.7	-55.1	0	0	0	0	114	T154 M157 D158	S152-T154 PolarHBondContact O-N 3.17Å; S152-M157 CarbonylContact C-O 3.52Å; S152-M157 WeakPolarHBondContact CA-O 3.19Å; S152-M157 PolarHBondContact N-O 3.15Å; S152-D158 PolarHBondContact N-OD1 3.42Å
153	I	94.1	Very high	95.9	Very high	78 Å²	78	73.6 Å²	73.6	40%	0.4	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	-25.5	172.7	58.1	151.2	0	0	0	111.5	L150 P151 M157 T159 T503	L150-I153 HydrophobicContact CB-CG2 4.43Å; L150-I153 HydrophobicContact CD2-CG2 3.76Å; L150-I153 HydrophobicContact CG-CG2 3.84Å; P151-I153 VanDerWaalsContact C-N 3.34Å; P151-I153 PolarHBondContact O-N 2.84Å; I153-M157 HydrophobicContact CD1-CE 4.48Å; I153-M157 HydrophobicContact CD1-CG 4.03Å; I153-M157 HydrophobicContact CD1-SD 4.28Å; I153-M157 HydrophobicContact CG1-CB 4.29Å; I153-M157 HydrophobicContact CG1-CG 4.03Å; I153-M157 VanDerWaalsContact CG1-O 3.29Å; I153-M157 WeakPolarHBondContact CG1-O 3.32Å; I153-M157 PolarHBondContact N-O 2.92Å; I153-T159 WeakPolarHBondContact CD1-OG1 3.39Å; I153-T503 HydrophobicContact CD1-CG2 3.73Å
154	T	92.5	Very high	96	Very high	42 Å²	42	71.9 Å²	71.9	26%	0.258	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	179.6	160	-175.2	0	0	0	0	108	S152 D156 M157	S152-T154 PolarHBondContact O-N 3.17Å; T154-D156 PolarHBondContact O-N 3.15Å; T154-M157 HydrophobicContact CG2-CB 3.54Å; T154-M157 HydrophobicContact CG2-CG 4.08Å; T154-M157 HydrophobicContact CG2-SD 3.49Å; T154-M157 WeakPolarHBondContact CG2-SD 3.49Å; T154-M157 PolarHBondContact O-N 3.5Å
155	K	90.9	Very high	96.1	Very high	147 Å²	147	71 Å²	71	64%	0.639	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	127.5	176.9	-175.1	178.4	176.3	-175	0	110.6	M157	K155-M157 PolarHBondContact O-N 3.49Å
156	D	91.8	Very high	96.2	Very high	59 Å²	59	71.4 Å²	71.4	32%	0.316	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	25.4	176.3	-54.6	-25.7	0	0	0	114.9	T154 Q505 W506 A508	T154-D156 PolarHBondContact O-N 3.15Å; D156-Q505 WeakPolarHBondContact O-CA 3.45Å; D156-Q505 WeakPolarHBondContact O-CG 3.35Å; D156-W506 WeakPolarHBondContact CB-O 3.29Å; D156-W506 PolarHBondContact O-N 2.93Å; D156-W506 VanDerWaalsContact O-N 3.08Å; D156-A508 PolarHBondContact OD2-N 3.47Å
157	M	94.5	Very high	96.2	Very high	48 Å²	48	65.9 Å²	65.9	24%	0.236	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	129.6	-174.1	-168.1	171.9	-172.5	0	0	113.1	S152 I153 T154 K155 T503 S504 Q505	S152-M157 CarbonylContact C-O 3.52Å; S152-M157 WeakPolarHBondContact CA-O 3.19Å; S152-M157 PolarHBondContact N-O 3.15Å; I153-M157 HydrophobicContact CD1-CE 4.48Å; I153-M157 HydrophobicContact CD1-CG 4.03Å; I153-M157 HydrophobicContact CD1-SD 4.28Å; I153-M157 HydrophobicContact CG1-CB 4.29Å; I153-M157 HydrophobicContact CG1-CG 4.03Å; I153-M157 VanDerWaalsContact CG1-O 3.29Å; I153-M157 WeakPolarHBondContact CG1-O 3.32Å; I153-M157 PolarHBondContact N-O 2.92Å; T154-M157 HydrophobicContact CG2-CB 3.54Å; T154-M157 HydrophobicContact CG2-CG 4.08Å; T154-M157 HydrophobicContact CG2-SD 3.49Å; T154-M157 WeakPolarHBondContact CG2-SD 3.49Å; T154-M157 PolarHBondContact O-N 3.5Å; K155-M157 PolarHBondContact O-N 3.49Å; M157-T503 HydrophobicContact CE-CG2 3.24Å; M157-T503 HydrophobicContact CG-CG2 3.98Å; M157-T503 HydrophobicContact SD-CG2 4.31Å; M157-S504 VanDerWaalsContact CA-O 3.29Å; M157-S504 WeakPolarHBondContact CA-O 3.2Å; M157-Q505 HydrophobicContact CB-CB 4.21Å; M157-Q505 HydrophobicContact CB-CG 4.2Å; M157-Q505 HydrophobicContact CG-CB 3.96Å; M157-Q505 HydrophobicContact CG-CG 4.43Å; M157-Q505 HydrophobicContact SD-CB 4.3Å
158	D	96.8	Very high	96.4	Very high	64 Å²	64	64.5 Å²	64.5	34%	0.342	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	154.2	-179.5	-60.6	-31.3	0	0	0	111.1	P151 S152 T503 S504	P151-D158 WeakPolarHBondContact CA-OD1 3.37Å; S152-D158 PolarHBondContact N-OD1 3.42Å; D158-T503 CarbonylContact O-C 3.55Å; D158-T503 WeakPolarHBondContact O-CA 3.4Å; D158-T503 WeakPolarHBondContact O-CG2 3.19Å; D158-S504 PolarHBondContact N-O 3.17Å; D158-S504 PolarHBondContact O-N 3.36Å
159	T	97.8	Very high	96.4	Very high	33 Å²	33	57.2 Å²	57.2	20%	0.202	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.8	165.9	-65	0	0	0	0	110.4	L150 I153 T501 V502 T503	L150-T159 PolarHBondContact N-O 3.09Å; L150-T159 PolarHBondContact O-N 3.06Å; I153-T159 WeakPolarHBondContact CD1-OG1 3.39Å; T159-T501 HydrophobicContact CG2-CG2 3.81Å; T159-V502 WeakPolarHBondContact CA-O 3.24Å; T159-T503 WeakPolarHBondContact OG1-CG2 3.35Å; T159-T503 PolarHBondContact OG1-OG1 3.32Å
160	Y	98.1	Very high	96.5	Very high	57 Å²	57	52.3 Å²	52.3	22%	0.224	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	161.6	174.4	55.7	-94.1	0	0	0	112	E148 T149 Y162 V502	E148-Y160 CarbonylContact O-C 3.54Å; E148-Y160 WeakPolarHBondContact O-CA 3.49Å; E148-Y160 WeakPolarHBondContact O-CB 3.37Å; T149-Y160 WeakPolarHBondContact OG1-CB 3.26Å; Y160-Y162 HydrophobicContact CD2-CE1 4.49Å; Y160-Y162 AromaticContact CD2-CE2 3.98Å; Y160-Y162 HydrophobicContact CD2-CE2 3.98Å; Y160-Y162 AromaticContact CD2-CZ 3.91Å; Y160-Y162 HydrophobicContact CE2-CD2 4.43Å; Y160-Y162 HydrophobicContact CE2-CE1 4.45Å; Y160-Y162 AromaticContact CE2-CE2 3.49Å; Y160-Y162 HydrophobicContact CE2-CE2 3.49Å; Y160-Y162 VanDerWaalsContact CE2-CE2 3.49Å; Y160-Y162 AromaticContact CE2-CZ 3.48Å; Y160-Y162 VanDerWaalsContact CE2-CZ 3.48Å; Y160-Y162 VanDerWaalsContact CE2-OH 3.25Å; Y160-Y162 WeakPolarHBondContact CE2-OH 3.33Å; Y160-V502 HydrophobicContact CD2-CB 4Å; Y160-V502 HydrophobicContact CD2-CG2 4.48Å; Y160-V502 HydrophobicContact CE1-CB 4.36Å; Y160-V502 HydrophobicContact CE1-CG1 4.2Å; Y160-V502 HydrophobicContact CE2-CB 3.49Å; Y160-V502 VanDerWaalsContact CE2-CB 3.49Å; Y160-V502 HydrophobicContact CE2-CG1 3.89Å; Y160-V502 HydrophobicContact CE2-CG2 3.88Å; Y160-V502 PolarHBondContact N-O 3.32Å; Y160-V502 PolarHBondContact O-N 3.46Å; Y160-V502 WeakPolarHBondContact OH-CG1 3.41Å
161	T	98.4	Very high	96.6	Very high	23 Å²	23	47.1 Å²	47.1	14%	0.141	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	149.4	-179.1	65.1	0	0	0	0	112.3	G147 E148 I499 K500 T501	G147-T161 WeakPolarHBondContact CA-O 3.05Å; E148-T161 PolarHBondContact N-OG1 2.78Å; E148-T161 PolarHBondContact O-N 2.95Å; T161-I499 HydrophobicContact CG2-CG2 3.91Å; T161-K500 CarbonylContact C-O 3.57Å; T161-K500 VanDerWaalsContact CA-O 3.32Å; T161-K500 WeakPolarHBondContact CA-O 3.1Å; T161-T501 HydrophobicContact CG2-CG2 4.24Å
162	Y	98	Very high	96.7	Very high	112 Å²	112	43.6 Å²	43.6	44%	0.439	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143	167.5	-62.1	-66.2	0	0	0	110	Y160 I499 K500 V502	Y160-Y162 HydrophobicContact CD2-CE1 4.49Å; Y160-Y162 AromaticContact CD2-CE2 3.98Å; Y160-Y162 HydrophobicContact CD2-CE2 3.98Å; Y160-Y162 AromaticContact CD2-CZ 3.91Å; Y160-Y162 HydrophobicContact CE2-CD2 4.43Å; Y160-Y162 HydrophobicContact CE2-CE1 4.45Å; Y160-Y162 AromaticContact CE2-CE2 3.49Å; Y160-Y162 HydrophobicContact CE2-CE2 3.49Å; Y160-Y162 VanDerWaalsContact CE2-CE2 3.49Å; Y160-Y162 AromaticContact CE2-CZ 3.48Å; Y160-Y162 VanDerWaalsContact CE2-CZ 3.48Å; Y160-Y162 VanDerWaalsContact CE2-OH 3.25Å; Y160-Y162 WeakPolarHBondContact CE2-OH 3.33Å; Y162-I499 CarbonylContact O-C 3.18Å; Y162-I499 WeakPolarHBondContact O-CA 3.38Å; Y162-K500 PolarHBondContact N-O 2.99Å; Y162-K500 PolarHBondContact O-N 3.43Å; Y162-V502 HydrophobicContact CD2-CG2 4.12Å; Y162-V502 HydrophobicContact CE2-CG2 3.9Å
163	R	97.8	Very high	97	Very high	53 Å²	53	39.3 Å²	39.3	20%	0.2	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.1	167.1	-172.7	176	-63.3	-75.8	-3.1	109.3	M145 T497 I499	M145-R163 HydrophobicContact CE-CB 4.31Å; M145-R163 HydrophobicContact CE-CG 4.08Å; M145-R163 VanDerWaalsContact CE-O 3.25Å; M145-R163 WeakPolarHBondContact CE-O 3.43Å; M145-R163 HydrophobicContact SD-CG 4.01Å; R163-T497 VanDerWaalsContact CD-OG1 3.25Å; R163-T497 WeakPolarHBondContact CD-OG1 3.2Å; R163-T497 HydrophobicContact CG-CG2 3.67Å; R163-T497 WeakPolarHBondContact CG-OG1 3.43Å; R163-T497 PolarHBondContact NH1-OG1 3.38Å; R163-I499 HydrophobicContact CB-CD1 4.25Å; R163-I499 HydrophobicContact CG-CD1 4.41Å
164	L	98.1	Very high	97.2	Very high	48 Å²	48	36.5 Å²	36.5	25%	0.251	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	147.1	-173.4	-57.7	179.5	0	0	0	111.2	T497 Q498 K500	L164-T497 CarbonylContact O-C 3.57Å; L164-T497 WeakPolarHBondContact O-CA 3.44Å; L164-T497 VanDerWaalsContact O-CB 3.26Å; L164-T497 WeakPolarHBondContact O-CB 3.11Å; L164-Q498 HydrophobicContact CB-CG 4.31Å; L164-Q498 PolarHBondContact N-O 3.07Å; L164-Q498 PolarHBondContact O-N 3.31Å; L164-K500 HydrophobicContact CD1-CB 3.84Å; L164-K500 HydrophobicContact CD1-CD 3.86Å; L164-K500 HydrophobicContact CD1-CG 4.47Å; L164-K500 HydrophobicContact CG-CB 4.5Å
165	P	98.6	Very high	97.5	Very high	12 Å²	12	36.2 Å²	36.2	8%	0.078	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	161.1	168.9	27.5	-33.4	0	0	0	111.1	Y80 N194	Y80-P165 HydrophobicContact CE2-CB 4.11Å; Y80-P165 HydrophobicContact CE2-CG 4.28Å; Y80-P165 PolarHBondContact OH-O 3.43Å; P165-N194 WeakPolarHBondContact CB-OD1 3.49Å
166	I	98.6	Very high	97.9	Very high	25 Å²	25	29.5 Å²	29.5	13%	0.128	15%	0.145	C	C	.	.			trans	-106.8	-19.1	-174	58.4	173	0	0	0	113.8	N194 K245 A246 Q498	I166-N194 WeakPolarHBondContact CG1-OD1 3.28Å; I166-N194 PolarHBondContact N-OD1 3.49Å; I166-K245 HydrophobicContact CD1-CB 4.34Å; I166-K245 HydrophobicContact CG1-CB 4.43Å; I166-K245 WeakPolarHBondContact O-CG 3.35Å; I166-A246 HydrophobicContact CD1-CB 3.6Å; I166-Q498 HydrophobicContact CG2-CB 3.97Å; I166-Q498 HydrophobicContact CG2-CG 4Å
167	G	98.7	Very high	98.2	Very high	6 Å²	6	27.9 Å²	27.9	6%	0.062	14%	0.135	C	C	.	.	S	Bend	trans	133.7	-138.9	178.4	0	0	0	0	0	113.5	N194 T195	G167-N194 PolarHBondContact N-OD1 3.23Å; G167-N194 WeakPolarHBondContact O-CA 3.42Å; G167-N194 WeakPolarHBondContact O-CB 3.33Å; G167-N194 PolarHBondContact O-OD1 2.94Å; G167-T195 PolarHBondContact O-N 2.92Å
168	V	98.9	Very high	98.4	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.03	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122.6	171.7	-174.8	0	0	0	0	109.1	V73 C76 I244 K245	V73-V168 HydrophobicContact CG2-CG1 4.3Å; C76-V168 HydrophobicContact CB-CB 4.36Å; C76-V168 HydrophobicContact CB-CG1 3.64Å; C76-V168 HydrophobicContact CB-CG2 3.81Å; V168-I244 HydrophobicContact CG1-CG1 4.19Å; V168-I244 WeakPolarHBondContact O-CA 3.23Å; V168-K245 PolarHBondContact O-N 2.92Å
169	C	98.9	Very high	98.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	157.1	172.5	-63.5	0	0	0	0	110	T195 Y196 L197 Y496	C169-T195 PolarHBondContact N-O 2.95Å; C169-Y196 HydrophobicContact CB-CD2 3.76Å; C169-Y196 HydrophobicContact CB-CE2 3.71Å; C169-Y196 CarbonylContact O-C 3.49Å; C169-Y196 WeakPolarHBondContact O-CA 3.45Å; C169-L197 PolarHBondContact O-N 3.18Å; C169-Y496 HydrophobicContact CB-CD1 4.26Å; C169-Y496 HydrophobicContact CB-CE1 4.18Å
170	A	98.9	Very high	98.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.2	176.6	0	0	0	0	0	112.7	Y196 L197 I238 I244 A246 I247 S248	A170-Y196 PolarHBondContact O-OH 2.85Å; A170-L197 CarbonylContact C-O 3.6Å; A170-L197 WeakPolarHBondContact CA-O 3.4Å; A170-L197 HydrophobicContact CB-CB 4.41Å; A170-L197 WeakPolarHBondContact CB-O 3.25Å; A170-I238 HydrophobicContact CB-CG1 4.39Å; A170-I238 HydrophobicContact CB-CG2 3.51Å; A170-I244 HydrophobicContact CB-CD1 4.27Å; A170-I244 HydrophobicContact CB-CG2 3.77Å; A170-A246 PolarHBondContact N-O 3Å; A170-I247 WeakPolarHBondContact O-CA 3.44Å; A170-S248 PolarHBondContact O-N 3.15Å
171	G	98.8	Very high	98.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.1	176.8	0	0	0	0	0	111.6	Y196 L197 K199 S248	G171-Y196 VanDerWaalsContact N-CE1 3.3Å; G171-L197 PolarHBondContact N-O 2.98Å; G171-K199 PolarHBondContact O-N 3.03Å; G171-S248 CarbonylContact C-O 3.44Å; G171-S248 VanDerWaalsContact CA-O 3.26Å; G171-S248 WeakPolarHBondContact CA-O 3.39Å
172	I	98.9	Very high	98.6	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.041	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113.3	175	-62	162.9	0	0	0	107.1	K199 V235 I238 I247 S248 F249 V250 I259	I172-K199 WeakPolarHBondContact CA-O 3.47Å; I172-K199 HydrophobicContact CG1-CB 4.35Å; I172-V235 HydrophobicContact CD1-CB 4.49Å; I172-V235 HydrophobicContact CD1-CG1 4.1Å; I172-V235 HydrophobicContact CD1-CG2 4.19Å; I172-V235 HydrophobicContact CG2-CG2 4.39Å; I172-I238 HydrophobicContact CD1-CB 4.46Å; I172-I238 HydrophobicContact CD1-CD1 4.22Å; I172-I238 HydrophobicContact CD1-CG2 4.11Å; I172-I238 HydrophobicContact CG1-CD1 3.86Å; I172-I247 HydrophobicContact CD1-CG2 4.34Å; I172-S248 PolarHBondContact N-O 3.18Å; I172-F249 HydrophobicContact CB-CD2 3.84Å; I172-F249 HydrophobicContact CG2-CD2 3.68Å; I172-F249 HydrophobicContact CG2-CE2 3.96Å; I172-V250 PolarHBondContact O-N 3.48Å; I172-I259 HydrophobicContact CD1-CD1 3.79Å; I172-I259 HydrophobicContact CD1-CG1 4.4Å; I172-I259 HydrophobicContact CD1-CG2 4.49Å; I172-I259 HydrophobicContact CG2-CD1 4.49Å
173	A	98.6	Very high	98.6	Very high	6 Å²	6	12.8 Å²	12.8	5%	0.05	7%	0.065	C	C	.	.			trans	-111.1	145.4	-171.1	0	0	0	0	0	112.3	I181 P182 K199 S201	A173-I181 HydrophobicContact CB-CG2 3.96Å; A173-P182 HydrophobicContact CB-CG 3.88Å; A173-K199 PolarHBondContact N-O 3.18Å; A173-K199 VanDerWaalsContact N-O 3.17Å; A173-S201 PolarHBondContact O-N 2.79Å
174	P	98.6	Very high	98.6	Very high	19 Å²	19	10.7 Å²	10.7	12%	0.123	6%	0.057	C	C	.	.			trans	-85.7	175.8	-177.6	38.1	-35.7	0	0	0	111.6	N176 I181 V250	P174-N176 WeakPolarHBondContact CG-OD1 3.2Å; P174-I181 HydrophobicContact CG-CD1 3.32Å; P174-V250 WeakPolarHBondContact CD-O 3.45Å; P174-V250 HydrophobicContact CG-CB 4.29Å; P174-V250 HydrophobicContact CG-CG1 4.06Å
175	F	98.5	Very high	98.7	Very high	35 Å²	35	8.4 Å²	8.4	15%	0.154	5%	0.045	C	C	.	.	S	Bend	trans	-78.2	-24	-176.4	73.1	-94.7	0	0	0	114.2	Q117 F177 R203 V204 Q305 I349 F409	Q117-F175 HydrophobicContact CG-CD2 4.35Å; Q117-F175 WeakPolarHBondContact CG-O 3.31Å; F175-F177 VanDerWaalsContact C-N 3.34Å; F175-F177 PolarHBondContact O-N 3.08Å; F175-R203 HydrophobicContact CB-CB 4.23Å; F175-V204 VanDerWaalsContact CA-CG2 3.48Å; F175-V204 HydrophobicContact CB-CG1 4.5Å; F175-V204 HydrophobicContact CB-CG2 3.86Å; F175-V204 WeakPolarHBondContact O-CG2 3.36Å; F175-Q305 HydrophobicContact CE2-CB 4.46Å; F175-I349 HydrophobicContact CB-CG1 4.41Å; F175-I349 HydrophobicContact CD2-CB 3.7Å; F175-I349 HydrophobicContact CD2-CD1 4Å; F175-I349 HydrophobicContact CD2-CG1 3.58Å; F175-I349 HydrophobicContact CD2-CG2 3.96Å; F175-I349 HydrophobicContact CE1-CG2 4.08Å; F175-I349 HydrophobicContact CE2-CB 3.54Å; F175-I349 HydrophobicContact CE2-CG1 3.98Å; F175-I349 HydrophobicContact CE2-CG2 3.48Å; F175-I349 VanDerWaalsContact CE2-CG2 3.48Å; F175-I349 HydrophobicContact CG-CB 4.44Å; F175-I349 HydrophobicContact CG-CG1 3.98Å; F175-I349 HydrophobicContact CG-CG2 4.45Å; F175-I349 HydrophobicContact CZ-CB 4.14Å; F175-I349 HydrophobicContact CZ-CG2 3.53Å; F175-F409 HydrophobicContact CE1-CE1 4.13Å; F175-F409 HydrophobicContact CE2-CE1 4.24Å; F175-F409 AromaticContact CZ-CD1 3.95Å; F175-F409 HydrophobicContact CZ-CD1 3.95Å; F175-F409 AromaticContact CZ-CE1 3.52Å; F175-F409 HydrophobicContact CZ-CE1 3.52Å
176	N	98.3	Very high	98.7	Very high	7 Å²	7	7.9 Å²	7.9	4%	0.037	4%	0.042	C	C	.	.	S	Bend	trans	-78.7	-21	-164.8	66.5	-41	0	0	0	113.2	K119 P174 Q305 F409	K119-N176 WeakPolarHBondContact CE-O 3.4Å; K119-N176 PolarHBondContact NZ-O 2.66Å; P174-N176 WeakPolarHBondContact CG-OD1 3.2Å; N176-Q305 VanDerWaalsContact CB-O 3.25Å; N176-Q305 WeakPolarHBondContact CB-O 3.36Å; N176-Q305 PolarHBondContact ND2-O 2.97Å; N176-Q305 VanDerWaalsContact ND2-O 3.14Å; N176-F409 HydrophobicContact CB-CE1 4.1Å; N176-F409 HydrophobicContact CB-CZ 4.08Å
177	F	98.6	Very high	98.7	Very high	24 Å²	24	6.7 Å²	6.7	11%	0.105	4%	0.036	C	C	.	.			trans	-139.2	77.3	172.7	-64.8	-83.4	0	0	0	111.9	D127 F175 A179 M180 I181 P182 R306	D127-F177 HydrophobicContact CB-CD1 4.03Å; D127-F177 VanDerWaalsContact OD2-CA 3.29Å; D127-F177 WeakPolarHBondContact OD2-CA 3.22Å; F175-F177 VanDerWaalsContact C-N 3.34Å; F175-F177 PolarHBondContact O-N 3.08Å; F177-A179 PolarHBondContact O-N 3.06Å; F177-M180 HydrophobicContact CB-CB 3.99Å; F177-M180 HydrophobicContact CB-CE 3.99Å; F177-M180 HydrophobicContact CD1-CB 4.42Å; F177-M180 HydrophobicContact CD1-CE 3.72Å; F177-M180 HydrophobicContact CD1-SD 4.39Å; F177-M180 HydrophobicContact CD2-CE 3.71Å; F177-M180 HydrophobicContact CE1-CE 4.07Å; F177-M180 HydrophobicContact CE2-CE 4.05Å; F177-M180 HydrophobicContact CG-CB 4.49Å; F177-M180 HydrophobicContact CG-CE 3.55Å; F177-M180 HydrophobicContact CZ-CE 4.22Å; F177-I181 HydrophobicContact CB-CD1 3.83Å; F177-I181 HydrophobicContact CB-CG1 3.93Å; F177-I181 HydrophobicContact CD2-CD1 4.17Å; F177-I181 HydrophobicContact CG-CD1 4.47Å; F177-I181 PolarHBondContact O-N 3.37Å; F177-P182 WeakPolarHBondContact O-CD 3.34Å; F177-R306 HydrophobicContact CE2-CB 4.25Å; F177-R306 HydrophobicContact CE2-CG 4.23Å; F177-R306 HydrophobicContact CZ-CB 4.26Å; F177-R306 HydrophobicContact CZ-CG 3.83Å
178	P	98.5	Very high	98.7	Very high	3 Å²	3	6.5 Å²	6.5	2%	0.019	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-2.5	-174.9	31.3	-37.3	0	0	0	114.8	I113 D127 P182 V204 C207 T208	I113-P178 HydrophobicContact CB-CG 4.41Å; I113-P178 HydrophobicContact CD1-CG 4.45Å; I113-P178 HydrophobicContact CG1-CG 3.96Å; I113-P178 HydrophobicContact CG2-CG 3.92Å; D127-P178 WeakPolarHBondContact OD2-CD 3.41Å; P178-P182 WeakPolarHBondContact O-CG 3.39Å; P178-V204 HydrophobicContact CB-CB 4.14Å; P178-V204 HydrophobicContact CB-CG2 3.69Å; P178-V204 HydrophobicContact CG-CB 4.21Å; P178-V204 HydrophobicContact CG-CG2 4.07Å; P178-C207 HydrophobicContact CB-CB 4.32Å; P178-C207 HydrophobicContact CG-CB 4.38Å; P178-T208 PolarHBondContact O-OG1 3.22Å
179	A	98.7	Very high	98.6	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-59.8	166.7	0	0	0	0	0	111.3	I113 D127 V128 F177 I181 P182 L183 L211	I113-A179 HydrophobicContact CD1-CB 3.87Å; D127-A179 PolarHBondContact OD1-N 3.47Å; V128-A179 HydrophobicContact CB-CB 4.48Å; V128-A179 HydrophobicContact CG2-CB 3.93Å; F177-A179 PolarHBondContact O-N 3.06Å; A179-I181 PolarHBondContact O-N 2.9Å; A179-P182 WeakPolarHBondContact O-CD 3.29Å; A179-L183 WeakPolarHBondContact O-CB 3.44Å; A179-L183 VanDerWaalsContact O-CG 3.23Å; A179-L183 WeakPolarHBondContact O-CG 3.41Å; A179-L183 PolarHBondContact O-N 2.83Å; A179-L211 HydrophobicContact CB-CD1 4.25Å
180	M	98.6	Very high	98.6	Very high	15 Å²	15	6.2 Å²	6.2	7%	0.074	3%	0.032	C	C	.	.	H	α-helix	trans	-53.8	-51.2	-172.5	-173.7	178.7	71.7	0	0	112	D127 R130 F177 L183 W184	D127-M180 WeakPolarHBondContact O-CB 3.43Å; D127-M180 WeakPolarHBondContact OD1-CB 3.36Å; D127-M180 PolarHBondContact OD1-N 3.25Å; R130-M180 HydrophobicContact CB-CG 3.89Å; R130-M180 HydrophobicContact CB-SD 3.53Å; R130-M180 VanDerWaalsContact CB-SD 3.53Å; R130-M180 HydrophobicContact CG-SD 4.3Å; F177-M180 HydrophobicContact CB-CB 3.99Å; F177-M180 HydrophobicContact CB-CE 3.99Å; F177-M180 HydrophobicContact CD1-CB 4.42Å; F177-M180 HydrophobicContact CD1-CE 3.72Å; F177-M180 HydrophobicContact CD1-SD 4.39Å; F177-M180 HydrophobicContact CD2-CE 3.71Å; F177-M180 HydrophobicContact CE1-CE 4.07Å; F177-M180 HydrophobicContact CE2-CE 4.05Å; F177-M180 HydrophobicContact CG-CB 4.49Å; F177-M180 HydrophobicContact CG-CE 3.55Å; F177-M180 HydrophobicContact CZ-CE 4.22Å; M180-L183 CarbonylContact O-C 3.49Å; M180-L183 PolarHBondContact O-N 3.39Å; M180-W184 HydrophobicContact CE-CH2 3.9Å; M180-W184 HydrophobicContact CE-CZ2 3.59Å; M180-W184 HydrophobicContact CG-CD2 4.48Å; M180-W184 HydrophobicContact CG-CZ2 3.8Å; M180-W184 VanDerWaalsContact CG-NE1 3.26Å; M180-W184 PolarHBondContact O-N 3.19Å; M180-W184 HydrophobicContact SD-CH2 4.47Å; M180-W184 HydrophobicContact SD-CZ2 3.6Å
181	I	98.7	Very high	98.6	Very high	2 Å²	2	6.2 Å²	6.2	1%	0.01	3%	0.032	C	C	.	.	H	α-helix	trans	-72.6	-44.9	-172.6	-66.7	169.3	0	0	0	112.3	A173 P174 F177 A179 L183 W184 M185 V250	A173-I181 HydrophobicContact CB-CG2 3.96Å; P174-I181 HydrophobicContact CG-CD1 3.32Å; F177-I181 HydrophobicContact CB-CD1 3.83Å; F177-I181 HydrophobicContact CB-CG1 3.93Å; F177-I181 HydrophobicContact CD2-CD1 4.17Å; F177-I181 HydrophobicContact CG-CD1 4.47Å; F177-I181 PolarHBondContact O-N 3.37Å; A179-I181 PolarHBondContact O-N 2.9Å; I181-L183 PolarHBondContact O-N 3.22Å; I181-W184 HydrophobicContact CG1-CE3 4.41Å; I181-W184 WeakPolarHBondContact O-CB 3.23Å; I181-W184 PolarHBondContact O-N 3.18Å; I181-M185 HydrophobicContact CG2-CE 3.56Å; I181-M185 HydrophobicContact CG2-SD 4.37Å; I181-M185 WeakPolarHBondContact O-CG 3.22Å; I181-M185 PolarHBondContact O-N 2.66Å; I181-V250 HydrophobicContact CD1-CB 4.29Å; I181-V250 HydrophobicContact CD1-CG1 3.79Å; I181-V250 HydrophobicContact CG2-CB 3.89Å; I181-V250 HydrophobicContact CG2-CG2 3.83Å
182	P	98.8	Very high	98.6	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-52.1	-41.2	168	-33.3	40.4	0	0	0	113.2	A173 F177 P178 A179 W184 M185 F186 P187 L198 T208	A173-P182 HydrophobicContact CB-CG 3.88Å; F177-P182 WeakPolarHBondContact O-CD 3.34Å; P178-P182 WeakPolarHBondContact O-CG 3.39Å; A179-P182 WeakPolarHBondContact O-CD 3.29Å; P182-W184 VanDerWaalsContact C-N 3.29Å; P182-W184 PolarHBondContact O-N 3.02Å; P182-M185 WeakPolarHBondContact O-CB 3.47Å; P182-M185 PolarHBondContact O-N 2.77Å; P182-F186 HydrophobicContact CB-CD1 4.35Å; P182-F186 HydrophobicContact CB-CE1 4.17Å; P182-F186 WeakPolarHBondContact O-CD1 3.39Å; P182-F186 PolarHBondContact O-N 3.35Å; P182-F186 VanDerWaalsContact O-N 3.15Å; P182-P187 WeakPolarHBondContact O-CD 3.41Å; P182-L198 HydrophobicContact CB-CD2 4.1Å; P182-T208 HydrophobicContact CB-CG2 4.47Å
183	L	98.8	Very high	98.6	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-72.7	-17.8	178.6	-66.2	175.2	0	0	0	113.9	Y98 I102 V134 V135 A179 M180 I181 F186 P187 L211	Y98-L183 HydrophobicContact CE1-CD2 3.99Å; Y98-L183 WeakPolarHBondContact OH-CD2 3.27Å; I102-L183 HydrophobicContact CD1-CD1 4.12Å; I102-L183 HydrophobicContact CD1-CD2 4.12Å; V134-L183 WeakPolarHBondContact CG1-O 3.32Å; V135-L183 HydrophobicContact CG2-CB 4.37Å; V135-L183 HydrophobicContact CG2-CD1 4.45Å; V135-L183 HydrophobicContact CG2-CD2 3.8Å; V135-L183 HydrophobicContact CG2-CG 4.43Å; A179-L183 WeakPolarHBondContact O-CB 3.44Å; A179-L183 VanDerWaalsContact O-CG 3.23Å; A179-L183 WeakPolarHBondContact O-CG 3.41Å; A179-L183 PolarHBondContact O-N 2.83Å; M180-L183 CarbonylContact O-C 3.49Å; M180-L183 PolarHBondContact O-N 3.39Å; I181-L183 PolarHBondContact O-N 3.22Å; L183-F186 HydrophobicContact CD2-CE1 3.99Å; L183-F186 HydrophobicContact CD2-CZ 3.72Å; L183-P187 HydrophobicContact CB-CG 4.4Å; L183-P187 HydrophobicContact CD2-CG 3.84Å; L183-P187 VanDerWaalsContact O-CD 3.3Å; L183-P187 WeakPolarHBondContact O-CD 3.36Å; L183-P187 WeakPolarHBondContact O-CG 3.22Å; L183-L211 HydrophobicContact CD1-CD1 4.08Å; L183-L211 HydrophobicContact CD1-CD2 4.2Å; L183-L211 HydrophobicContact CD2-CD1 4.12Å; L183-L211 HydrophobicContact CD2-CD2 4.34Å; L183-L211 HydrophobicContact CG-CD1 3.95Å
184	W	98.5	Very high	98.6	Very high	9 Å²	9	5.6 Å²	5.6	3%	0.034	3%	0.027	C	C	.	.	H	α-helix	trans	-72	-21.3	167.9	-68.2	4.7	0	0	0	113	V134 M180 I181 P182 F474 F487 Y488	V134-W184 VanDerWaalsContact CG2-CD1 3.49Å; V134-W184 HydrophobicContact CG2-CG 4.47Å; M180-W184 HydrophobicContact CE-CH2 3.9Å; M180-W184 HydrophobicContact CE-CZ2 3.59Å; M180-W184 HydrophobicContact CG-CD2 4.48Å; M180-W184 HydrophobicContact CG-CZ2 3.8Å; M180-W184 VanDerWaalsContact CG-NE1 3.26Å; M180-W184 PolarHBondContact O-N 3.19Å; M180-W184 HydrophobicContact SD-CH2 4.47Å; M180-W184 HydrophobicContact SD-CZ2 3.6Å; I181-W184 HydrophobicContact CG1-CE3 4.41Å; I181-W184 WeakPolarHBondContact O-CB 3.23Å; I181-W184 PolarHBondContact O-N 3.18Å; P182-W184 VanDerWaalsContact C-N 3.29Å; P182-W184 PolarHBondContact O-N 3.02Å; W184-F474 HydrophobicContact CH2-CB 4.32Å; W184-F474 AromaticContact CH2-CD2 3.44Å; W184-F474 HydrophobicContact CH2-CD2 3.44Å; W184-F474 VanDerWaalsContact CH2-CD2 3.44Å; W184-F474 AromaticContact CH2-CE2 3.91Å; W184-F474 HydrophobicContact CH2-CE2 3.91Å; W184-F474 AromaticContact CH2-CG 3.98Å; W184-F474 HydrophobicContact CH2-CG 3.98Å; W184-F474 HydrophobicContact CZ2-CD2 4.44Å; W184-F474 HydrophobicContact CZ3-CB 4.07Å; W184-F474 HydrophobicContact CZ3-CD1 4.44Å; W184-F474 AromaticContact CZ3-CD2 3.78Å; W184-F474 HydrophobicContact CZ3-CD2 3.78Å; W184-F474 HydrophobicContact CZ3-CE2 4.34Å; W184-F474 AromaticContact CZ3-CG 3.84Å; W184-F474 HydrophobicContact CZ3-CG 3.84Å; W184-F487 HydrophobicContact CE3-CB 4.32Å; W184-F487 HydrophobicContact CE3-CG 4.5Å; W184-Y488 HydrophobicContact CB-CD1 3.96Å; W184-Y488 AromaticContact CD1-CD1 3.92Å; W184-Y488 AromaticContact CD2-CD1 3.56Å; W184-Y488 HydrophobicContact CD2-CD1 3.56Å; W184-Y488 AromaticContact CD2-CE1 3.4Å; W184-Y488 HydrophobicContact CD2-CE1 3.4Å; W184-Y488 AromaticContact CE2-CD1 3.92Å; W184-Y488 AromaticContact CE2-CE1 3.4Å; W184-Y488 VanDerWaalsContact CE2-CE1 3.4Å; W184-Y488 AromaticContact CE3-CD1 3.98Å; W184-Y488 HydrophobicContact CE3-CD1 3.98Å; W184-Y488 AromaticContact CE3-CE1 3.66Å; W184-Y488 HydrophobicContact CE3-CE1 3.66Å; W184-Y488 AromaticContact CG-CD1 3.56Å; W184-Y488 HydrophobicContact CG-CD1 3.56Å; W184-Y488 AromaticContact CG-CE1 3.9Å; W184-Y488 HydrophobicContact CG-CE1 3.9Å; W184-Y488 AromaticContact CH2-CE1 3.94Å; W184-Y488 HydrophobicContact CH2-CE1 3.94Å; W184-Y488 AromaticContact CZ2-CE1 3.69Å; W184-Y488 HydrophobicContact CZ2-CE1 3.69Å; W184-Y488 AromaticContact CZ3-CE1 3.92Å; W184-Y488 HydrophobicContact CZ3-CE1 3.92Å; W184-Y488 AromaticContact NE1-CE1 3.86Å
185	M	98.7	Very high	98.6	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-104.4	-77.5	-164.9	-73.7	-173.4	-175.2	0	0	112.1	I181 P182 M188 G189 Y196 L198 S248 V250 F487	I181-M185 HydrophobicContact CG2-CE 3.56Å; I181-M185 HydrophobicContact CG2-SD 4.37Å; I181-M185 WeakPolarHBondContact O-CG 3.22Å; I181-M185 PolarHBondContact O-N 2.66Å; P182-M185 WeakPolarHBondContact O-CB 3.47Å; P182-M185 PolarHBondContact O-N 2.77Å; M185-M188 PolarHBondContact O-N 3.49Å; M185-G189 PolarHBondContact O-N 2.83Å; M185-G189 VanDerWaalsContact O-N 3.13Å; M185-Y196 HydrophobicContact CB-CE1 4.34Å; M185-Y196 WeakPolarHBondContact CB-OH 3.38Å; M185-L198 HydrophobicContact SD-CD1 4.49Å; M185-S248 WeakPolarHBondContact CE-O 3.25Å; M185-S248 WeakPolarHBondContact CG-OG 3.5Å; M185-V250 HydrophobicContact CE-CB 4.2Å; M185-V250 HydrophobicContact CE-CG2 3.66Å; M185-F487 HydrophobicContact CE-CE1 4.34Å
186	F	98.8	Very high	98.7	Very high	2 Å²	2	3 Å²	3	1%	0.009	1%	0.014	C	C	.	.	H	α-helix	trans	-67.8	-37.7	-169.6	77.2	-98.5	0	0	0	113.5	Y98 P182 L183 M188 G189 M190 Y196 L198 L215 L225	Y98-F186 HydrophobicContact CE1-CE2 4.17Å; Y98-F186 HydrophobicContact CE1-CZ 4.27Å; Y98-F186 WeakPolarHBondContact OH-CZ 3.35Å; P182-F186 HydrophobicContact CB-CD1 4.35Å; P182-F186 HydrophobicContact CB-CE1 4.17Å; P182-F186 WeakPolarHBondContact O-CD1 3.39Å; P182-F186 PolarHBondContact O-N 3.35Å; P182-F186 VanDerWaalsContact O-N 3.15Å; L183-F186 HydrophobicContact CD2-CE1 3.99Å; L183-F186 HydrophobicContact CD2-CZ 3.72Å; F186-M188 VanDerWaalsContact C-N 3.33Å; F186-M188 PolarHBondContact O-N 3.22Å; F186-G189 PolarHBondContact O-N 2.92Å; F186-M190 HydrophobicContact CB-SD 4.28Å; F186-M190 HydrophobicContact CD2-SD 3.71Å; F186-M190 HydrophobicContact CG-SD 4.45Å; F186-M190 VanDerWaalsContact O-CB 3.26Å; F186-M190 WeakPolarHBondContact O-CB 3.44Å; F186-M190 WeakPolarHBondContact O-CG 3.3Å; F186-M190 PolarHBondContact O-N 3.01Å; F186-Y196 HydrophobicContact CB-CD1 3.44Å; F186-Y196 VanDerWaalsContact CB-CD1 3.44Å; F186-Y196 HydrophobicContact CB-CD2 4.04Å; F186-Y196 HydrophobicContact CB-CE1 3.79Å; F186-Y196 HydrophobicContact CB-CE2 4.35Å; F186-Y196 HydrophobicContact CB-CG 3.57Å; F186-L198 HydrophobicContact CD1-CD2 4.04Å; F186-L215 HydrophobicContact CD2-CD2 4.22Å; F186-L215 HydrophobicContact CE2-CD1 4.48Å; F186-L215 HydrophobicContact CE2-CD2 3.81Å; F186-L225 HydrophobicContact CB-CD1 4.18Å; F186-L225 HydrophobicContact CD2-CD1 4.42Å; F186-L225 HydrophobicContact CD2-CD2 4.44Å; F186-L225 HydrophobicContact CE2-CD2 4.43Å; F186-L225 HydrophobicContact CG-CD1 4.19Å
187	P	98.7	Very high	98.7	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-61.2	-43.6	178.9	-25.3	37.6	0	0	0	111.9	F95 V135 T138 P182 L183 M190 V191	F95-P187 HydrophobicContact CD1-CB 4.34Å; F95-P187 HydrophobicContact CE1-CB 3.72Å; V135-P187 HydrophobicContact CG2-CB 4.31Å; V135-P187 HydrophobicContact CG2-CG 4.11Å; T138-P187 HydrophobicContact CG2-CB 4Å; P182-P187 WeakPolarHBondContact O-CD 3.41Å; L183-P187 HydrophobicContact CB-CG 4.4Å; L183-P187 HydrophobicContact CD2-CG 3.84Å; L183-P187 VanDerWaalsContact O-CD 3.3Å; L183-P187 WeakPolarHBondContact O-CD 3.36Å; L183-P187 WeakPolarHBondContact O-CG 3.22Å; P187-M190 PolarHBondContact O-N 3.22Å; P187-V191 WeakPolarHBondContact O-CB 3.24Å; P187-V191 WeakPolarHBondContact O-CG1 3.43Å; P187-V191 PolarHBondContact O-N 3.08Å
188	M	98.4	Very high	98.7	Very high	1 Å²	1	1.5 Å²	1.5	1%	0.005	1%	0.007	C	C	.	.	H	α-helix	trans	-63.6	-45.6	178.1	-70.6	-62.4	-56.1	0	0	111.7	V134 T138 M185 F186 V191 C192 G489 I493 Y496	V134-M188 HydrophobicContact CG1-CG 3.87Å; V134-M188 HydrophobicContact CG1-SD 4.01Å; T138-M188 HydrophobicContact CG2-CG 4.44Å; T138-M188 HydrophobicContact CG2-SD 3.69Å; M185-M188 PolarHBondContact O-N 3.49Å; F186-M188 VanDerWaalsContact C-N 3.33Å; F186-M188 PolarHBondContact O-N 3.22Å; M188-V191 WeakPolarHBondContact O-CG1 3.48Å; M188-C192 PolarHBondContact O-SG 3.47Å; M188-G489 WeakPolarHBondContact CE-O 3.49Å; M188-I493 HydrophobicContact CE-CD1 3.56Å; M188-I493 HydrophobicContact CE-CG1 3.84Å; M188-Y496 HydrophobicContact CB-CD2 3.85Å; M188-Y496 HydrophobicContact CB-CE2 3.66Å
189	G	98.3	Very high	98.7	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-62.7	-46.9	177.2	0	0	0	0	0	112.1	M185 F186 C192 N194	M185-G189 PolarHBondContact O-N 2.83Å; M185-G189 VanDerWaalsContact O-N 3.13Å; F186-G189 PolarHBondContact O-N 2.92Å; G189-C192 WeakPolarHBondContact O-CB 3.44Å; G189-C192 PolarHBondContact O-N 2.77Å; G189-N194 VanDerWaalsContact O-CB 3.25Å; G189-N194 WeakPolarHBondContact O-CB 3.49Å; G189-N194 PolarHBondContact O-N 2.7Å; G189-N194 PolarHBondContact O-ND2 3.1Å
190	M	98.8	Very high	98.7	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.009	C	C	.	.	H	α-helix	trans	-71.4	-39.3	-174.6	-68.3	174.6	77.7	0	0	113.2	W83 F95 F186 P187 C192 G193 N194 L215 M220 T224 L225	W83-M190 WeakPolarHBondContact CZ2-O 3.45Å; W83-M190 PolarHBondContact NE1-O 2.88Å; F95-M190 HydrophobicContact CZ-CB 3.91Å; F186-M190 HydrophobicContact CB-SD 4.28Å; F186-M190 HydrophobicContact CD2-SD 3.71Å; F186-M190 HydrophobicContact CG-SD 4.45Å; F186-M190 VanDerWaalsContact O-CB 3.26Å; F186-M190 WeakPolarHBondContact O-CB 3.44Å; F186-M190 WeakPolarHBondContact O-CG 3.3Å; F186-M190 PolarHBondContact O-N 3.01Å; P187-M190 PolarHBondContact O-N 3.22Å; M190-C192 PolarHBondContact O-N 2.7Å; M190-G193 WeakPolarHBondContact O-CA 3.27Å; M190-G193 PolarHBondContact O-N 3.44Å; M190-N194 WeakPolarHBondContact CA-O 3.25Å; M190-L215 HydrophobicContact CE-CD2 3.96Å; M190-L215 HydrophobicContact SD-CD2 4.07Å; M190-M220 HydrophobicContact CE-CE 3.58Å; M190-M220 HydrophobicContact CE-CG 3.71Å; M190-M220 HydrophobicContact CE-SD 3.54Å; M190-M220 VanDerWaalsContact CE-SD 3.54Å; M190-T224 VanDerWaalsContact CE-OG1 3.29Å; M190-T224 WeakPolarHBondContact CE-OG1 3.37Å; M190-L225 HydrophobicContact CE-CB 3.9Å; M190-L225 HydrophobicContact SD-CB 4.02Å; M190-L225 HydrophobicContact SD-CD1 4.47Å
191	V	98.6	Very high	98.7	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.009	C	C	.	.	H	α-helix	trans	-63.6	-29.1	178.2	77.2	0	0	0	0	112.2	R91 F95 T138 I141 P187 M188 G193	R91-V191 PolarHBondContact NE-O 2.87Å; F95-V191 HydrophobicContact CD2-CB 3.78Å; F95-V191 HydrophobicContact CD2-CG2 3.54Å; F95-V191 HydrophobicContact CE2-CB 3.51Å; F95-V191 HydrophobicContact CE2-CG2 3.78Å; F95-V191 HydrophobicContact CG-CG2 4.31Å; F95-V191 HydrophobicContact CZ-CB 4.06Å; T138-V191 HydrophobicContact CG2-CB 4.39Å; T138-V191 HydrophobicContact CG2-CG1 3.9Å; I141-V191 HydrophobicContact CB-CG2 3.71Å; I141-V191 HydrophobicContact CD1-CG1 3.76Å; I141-V191 HydrophobicContact CD1-CG2 4.23Å; I141-V191 HydrophobicContact CG1-CG1 4.3Å; I141-V191 HydrophobicContact CG1-CG2 3.81Å; I141-V191 HydrophobicContact CG2-CG2 3.79Å; P187-V191 WeakPolarHBondContact O-CB 3.24Å; P187-V191 WeakPolarHBondContact O-CG1 3.43Å; P187-V191 PolarHBondContact O-N 3.08Å; M188-V191 WeakPolarHBondContact O-CG1 3.48Å; V191-G193 PolarHBondContact O-N 3.46Å
192	C	98.7	Very high	98.7	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-11.8	172.6	-69.9	0	0	0	0	113.6	M145 M188 G189 M190 I493 T497	M145-C192 HydrophobicContact SD-CB 4.41Å; M188-C192 PolarHBondContact O-SG 3.47Å; G189-C192 WeakPolarHBondContact O-CB 3.44Å; G189-C192 PolarHBondContact O-N 2.77Å; M190-C192 PolarHBondContact O-N 2.7Å; C192-I493 VanDerWaalsContact SG-CD1 3.52Å; C192-T497 HydrophobicContact CB-CG2 3.77Å
193	G	98.7	Very high	98.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.5	12.8	-178.6	0	0	0	0	0	114.6	Y80 W83 M190 V191	Y80-G193 WeakPolarHBondContact CE2-O 3.1Å; W83-G193 VanDerWaalsContact CD1-C 3.48Å; M190-G193 WeakPolarHBondContact O-CA 3.27Å; M190-G193 PolarHBondContact O-N 3.44Å; V191-G193 PolarHBondContact O-N 3.46Å
194	N	98.9	Very high	98.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	3%	0.032	C	C	.	.			trans	-87.6	159.6	174.4	-57.2	-75.1	0	0	0	111.6	W83 P165 I166 G167 G189 M190 Y496	W83-N194 PolarHBondContact NE1-O 3.31Å; W83-N194 VanDerWaalsContact NE1-O 3.13Å; P165-N194 WeakPolarHBondContact CB-OD1 3.49Å; I166-N194 WeakPolarHBondContact CG1-OD1 3.28Å; I166-N194 PolarHBondContact N-OD1 3.49Å; G167-N194 PolarHBondContact N-OD1 3.23Å; G167-N194 WeakPolarHBondContact O-CA 3.42Å; G167-N194 WeakPolarHBondContact O-CB 3.33Å; G167-N194 PolarHBondContact O-OD1 2.94Å; G189-N194 VanDerWaalsContact O-CB 3.25Å; G189-N194 WeakPolarHBondContact O-CB 3.49Å; G189-N194 PolarHBondContact O-N 2.7Å; G189-N194 PolarHBondContact O-ND2 3.1Å; M190-N194 WeakPolarHBondContact CA-O 3.25Å; N194-Y496 PolarHBondContact ND2-O 3.17Å
195	T	98.9	Very high	98.6	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	159.9	162.1	54.6	0	0	0	0	110	C76 G167 C169 T224	C76-T195 WeakPolarHBondContact O-CB 3.13Å; C76-T195 WeakPolarHBondContact O-CG2 3.4Å; C76-T195 PolarHBondContact O-OG1 3.32Å; G167-T195 PolarHBondContact O-N 2.92Å; C169-T195 PolarHBondContact N-O 2.95Å; T195-T224 CarbonylContact C-O 3.55Å; T195-T224 VanDerWaalsContact CA-O 3.32Å; T195-T224 WeakPolarHBondContact CA-O 3.44Å; T195-T224 HydrophobicContact CG2-CG2 4.25Å
196	Y	98.9	Very high	98.6	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	128	-165.7	-142.4	-84.1	0	0	0	113.4	C169 A170 G171 M185 F186 L198 T224 L225 N226 Y496	C169-Y196 HydrophobicContact CB-CD2 3.76Å; C169-Y196 HydrophobicContact CB-CE2 3.71Å; C169-Y196 CarbonylContact O-C 3.49Å; C169-Y196 WeakPolarHBondContact O-CA 3.45Å; A170-Y196 PolarHBondContact O-OH 2.85Å; G171-Y196 VanDerWaalsContact N-CE1 3.3Å; M185-Y196 HydrophobicContact CB-CE1 4.34Å; M185-Y196 WeakPolarHBondContact CB-OH 3.38Å; F186-Y196 HydrophobicContact CB-CD1 3.44Å; F186-Y196 VanDerWaalsContact CB-CD1 3.44Å; F186-Y196 HydrophobicContact CB-CD2 4.04Å; F186-Y196 HydrophobicContact CB-CE1 3.79Å; F186-Y196 HydrophobicContact CB-CE2 4.35Å; F186-Y196 HydrophobicContact CB-CG 3.57Å; Y196-L198 HydrophobicContact CD1-CB 4.32Å; Y196-L198 HydrophobicContact CE1-CD1 4.28Å; Y196-T224 PolarHBondContact N-O 3.46Å; Y196-L225 WeakPolarHBondContact O-CA 3.28Å; Y196-N226 PolarHBondContact O-N 2.91Å; Y196-Y496 AromaticContact CE2-CE1 3.92Å; Y196-Y496 HydrophobicContact CE2-CE1 3.92Å; Y196-Y496 PolarHBondContact OH-OH 2.89Å; Y196-Y496 VanDerWaalsContact OH-OH 3.08Å
197	L	98.9	Very high	98.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	112.8	169.4	-178	63.1	0	0	0	109.8	A72 V73 C169 A170 G171 N226 I228 F237 I238 I244	A72-L197 HydrophobicContact CB-CD1 3.76Å; V73-L197 HydrophobicContact CB-CD2 4.45Å; C169-L197 PolarHBondContact O-N 3.18Å; A170-L197 CarbonylContact C-O 3.6Å; A170-L197 WeakPolarHBondContact CA-O 3.4Å; A170-L197 HydrophobicContact CB-CB 4.41Å; A170-L197 WeakPolarHBondContact CB-O 3.25Å; G171-L197 PolarHBondContact N-O 2.98Å; L197-N226 WeakPolarHBondContact CA-O 3.4Å; L197-N226 HydrophobicContact CD1-CB 4.03Å; L197-I228 HydrophobicContact CD1-CD1 4.28Å; L197-I228 HydrophobicContact CD1-CG1 4.02Å; L197-I228 HydrophobicContact CD1-CG2 3.99Å; L197-I228 HydrophobicContact CD2-CD1 4.18Å; L197-I228 HydrophobicContact CG-CD1 4.39Å; L197-I228 HydrophobicContact CG-CG1 4.41Å; L197-F237 HydrophobicContact CD2-CD1 4.45Å; L197-F237 HydrophobicContact CD2-CE1 4.02Å; L197-I238 HydrophobicContact CD2-CG1 4.11Å; L197-I244 HydrophobicContact CD2-CD1 4.1Å
198	L	98.9	Very high	98.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.9	-178.1	-175.4	71.1	0	0	0	111.2	P182 M185 F186 Y196 T208 L225 N226 I227 I228	P182-L198 HydrophobicContact CB-CD2 4.1Å; M185-L198 HydrophobicContact SD-CD1 4.49Å; F186-L198 HydrophobicContact CD1-CD2 4.04Å; Y196-L198 HydrophobicContact CD1-CB 4.32Å; Y196-L198 HydrophobicContact CE1-CD1 4.28Å; L198-T208 HydrophobicContact CD2-CG2 3.42Å; L198-T208 VanDerWaalsContact CD2-CG2 3.42Å; L198-L225 HydrophobicContact CB-CD1 4.33Å; L198-N226 PolarHBondContact N-O 3.49Å; L198-I227 HydrophobicContact CB-CG1 4.25Å; L198-I227 HydrophobicContact CD2-CG1 4.47Å; L198-I227 VanDerWaalsContact O-CA 3.32Å; L198-I227 WeakPolarHBondContact O-CA 3.48Å; L198-I228 PolarHBondContact O-N 3.33Å
199	K	98.8	Very high	98.6	Very high	9 Å²	9	9 Å²	9	4%	0.039	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	88	170.7	-163.9	-101.8	97	152.5	0	109.5	G171 I172 A173 E202 I228 G230 A234 V235 I238	G171-K199 PolarHBondContact O-N 3.03Å; I172-K199 WeakPolarHBondContact CA-O 3.47Å; I172-K199 HydrophobicContact CG1-CB 4.35Å; A173-K199 PolarHBondContact N-O 3.18Å; A173-K199 VanDerWaalsContact N-O 3.17Å; K199-E202 IonicContact NZ-OE2 3.8Å; K199-E202 PolarHBondContact NZ-OE2 2.76Å; K199-I228 WeakPolarHBondContact CA-O 3.33Å; K199-I228 HydrophobicContact CB-CG1 4.38Å; K199-I228 HydrophobicContact CG-CG1 4.4Å; K199-G230 WeakPolarHBondContact CE-O 3.18Å; K199-G230 PolarHBondContact NZ-O 2.88Å; K199-A234 HydrophobicContact CD-CB 4.33Å; K199-A234 HydrophobicContact CG-CB 4.06Å; K199-V235 HydrophobicContact CD-CG2 4.25Å; K199-I238 HydrophobicContact CB-CD1 3.75Å; K199-I238 HydrophobicContact CG-CD1 4.49Å
200	P	98.6	Very high	98.7	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.013	6%	0.056	C	C	.	.			trans	-71.1	162.6	176.2	32.5	-35.6	0	0	0	110.5	E202 T208 I227	P200-E202 PolarHBondContact O-N 3.14Å; P200-T208 HydrophobicContact CB-CG2 3.98Å; P200-T208 HydrophobicContact CG-CG2 4Å; P200-I227 HydrophobicContact CG-CG2 3.94Å
201	S	98.6	Very high	98.7	Very high	11 Å²	11	11.2 Å²	11.2	8%	0.077	6%	0.056	C	C	.	.			trans	-58.3	131	175	-176.9	0	0	0	0	111	A173 R203 V204	A173-S201 PolarHBondContact O-N 2.79Å; S201-R203 PolarHBondContact O-N 3.41Å; S201-R203 VanDerWaalsContact O-N 3.1Å; S201-R203 PolarHBondContact OG-N 3.48Å; S201-V204 PolarHBondContact O-N 3.24Å
202	E	98.1	Very high	98.7	Very high	30 Å²	30	11.3 Å²	11.3	14%	0.14	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-14	175	66.2	-84.8	-164.7	0	0	113	L47 V61 K199 P200 Q231	L47-E202 HydrophobicContact CD1-CB 4.01Å; L47-E202 HydrophobicContact CD1-CG 3.83Å; V61-E202 HydrophobicContact CG1-CB 3.82Å; V61-E202 VanDerWaalsContact CG1-O 3.28Å; V61-E202 WeakPolarHBondContact CG1-O 3.14Å; K199-E202 IonicContact NZ-OE2 3.8Å; K199-E202 PolarHBondContact NZ-OE2 2.76Å; P200-E202 PolarHBondContact O-N 3.14Å; E202-Q231 HydrophobicContact CG-CG 4.14Å; E202-Q231 WeakPolarHBondContact OE1-CG 3.5Å; E202-Q231 PolarHBondContact OE1-NE2 3.5Å
203	R	98.1	Very high	98.7	Very high	91 Å²	91	15.1 Å²	15.1	34%	0.343	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-24.7	178.8	-59.9	-174.9	-179.9	-162.2	-4.8	113.4	F175 S201 I349 S350	F175-R203 HydrophobicContact CB-CB 4.23Å; S201-R203 PolarHBondContact O-N 3.41Å; S201-R203 VanDerWaalsContact O-N 3.1Å; S201-R203 PolarHBondContact OG-N 3.48Å; R203-I349 HydrophobicContact CB-CD1 4.25Å; R203-I349 HydrophobicContact CB-CG1 4.28Å; R203-I349 VanDerWaalsContact NH1-CG2 3.25Å; R203-S350 PolarHBondContact NH1-OG 3.26Å
204	V	98.6	Very high	98.7	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	8%	0.077	C	C	.	.	S	Bend	trans	-145.7	47.5	-168.6	-65	0	0	0	0	113.1	E116 Q117 F175 P178 S201 A206 I349	E116-V204 HydrophobicContact CB-CB 4.12Å; E116-V204 HydrophobicContact CB-CG1 3.82Å; E116-V204 WeakPolarHBondContact OE2-CA 3.42Å; Q117-V204 HydrophobicContact CB-CG1 3.74Å; Q117-V204 HydrophobicContact CG-CG1 4.14Å; F175-V204 VanDerWaalsContact CA-CG2 3.48Å; F175-V204 HydrophobicContact CB-CG1 4.5Å; F175-V204 HydrophobicContact CB-CG2 3.86Å; F175-V204 WeakPolarHBondContact O-CG2 3.36Å; P178-V204 HydrophobicContact CB-CB 4.14Å; P178-V204 HydrophobicContact CB-CG2 3.69Å; P178-V204 HydrophobicContact CG-CB 4.21Å; P178-V204 HydrophobicContact CG-CG2 4.07Å; S201-V204 PolarHBondContact O-N 3.24Å; V204-A206 PolarHBondContact O-N 3.43Å; V204-I349 HydrophobicContact CG1-CD1 3.89Å
205	P	98.4	Very high	98.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-74.1	-22.1	-170.7	32.4	-36.4	0	0	0	114.1	T30 I49 V61 C207 T208 M209	T30-P205 HydrophobicContact CG2-CB 3.81Å; T30-P205 HydrophobicContact CG2-CG 3.71Å; I49-P205 HydrophobicContact CD1-CG 3.6Å; V61-P205 HydrophobicContact CB-CG 4.44Å; V61-P205 HydrophobicContact CG2-CG 4.28Å; P205-C207 PolarHBondContact O-N 2.76Å; P205-T208 PolarHBondContact O-N 3.13Å; P205-T208 VanDerWaalsContact O-N 3.1Å; P205-M209 WeakPolarHBondContact O-CG 3.38Å; P205-M209 PolarHBondContact O-N 3.45Å; P205-M209 VanDerWaalsContact O-N 3.1Å
206	A	98.5	Very high	98.6	Very high	29 Å²	29	18.7 Å²	18.7	24%	0.24	9%	0.09	C	C	.	.	H	α-helix	trans	-59.2	-44	-165.7	0	0	0	0	0	112.8	E116 V204 T208 M209 L210	E116-A206 VanDerWaalsContact CD-CB 3.4Å; E116-A206 HydrophobicContact CG-CB 4.47Å; E116-A206 VanDerWaalsContact OE1-CB 3.31Å; E116-A206 WeakPolarHBondContact OE1-CB 3.39Å; E116-A206 VanDerWaalsContact OE2-CB 3.23Å; E116-A206 WeakPolarHBondContact OE2-CB 3.49Å; E116-A206 PolarHBondContact OE2-N 2.79Å; V204-A206 PolarHBondContact O-N 3.43Å; A206-T208 VanDerWaalsContact C-N 3.33Å; A206-T208 PolarHBondContact O-N 3.11Å; A206-M209 PolarHBondContact O-N 3.42Å; A206-M209 VanDerWaalsContact O-N 3.14Å; A206-L210 WeakPolarHBondContact O-CG 3.4Å; A206-L210 PolarHBondContact O-N 3.11Å
207	C	98.7	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-41.6	179.7	-174.2	0	0	0	0	112	S112 I113 P178 P205 M209 L210 L211	S112-C207 WeakPolarHBondContact OG-CA 3.4Å; S112-C207 WeakPolarHBondContact OG-CB 3.43Å; I113-C207 HydrophobicContact CD1-CB 4.43Å; I113-C207 HydrophobicContact CG1-CB 3.68Å; P178-C207 HydrophobicContact CB-CB 4.32Å; P178-C207 HydrophobicContact CG-CB 4.38Å; P205-C207 PolarHBondContact O-N 2.76Å; C207-M209 VanDerWaalsContact C-N 3.29Å; C207-M209 PolarHBondContact O-N 3.42Å; C207-L210 PolarHBondContact O-N 3.48Å; C207-L211 WeakPolarHBondContact O-CG 3.4Å; C207-L211 PolarHBondContact O-N 3.27Å
208	T	98.7	Very high	98.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-36.1	177.1	-59.7	0	0	0	0	111.3	P178 P182 L198 P200 P205 A206 L211 A212 I227	P178-T208 PolarHBondContact O-OG1 3.22Å; P182-T208 HydrophobicContact CB-CG2 4.47Å; L198-T208 HydrophobicContact CD2-CG2 3.42Å; L198-T208 VanDerWaalsContact CD2-CG2 3.42Å; P200-T208 HydrophobicContact CB-CG2 3.98Å; P200-T208 HydrophobicContact CG-CG2 4Å; P205-T208 PolarHBondContact O-N 3.13Å; P205-T208 VanDerWaalsContact O-N 3.1Å; A206-T208 VanDerWaalsContact C-N 3.33Å; A206-T208 PolarHBondContact O-N 3.11Å; T208-L211 WeakPolarHBondContact O-CB 3.26Å; T208-L211 PolarHBondContact O-N 2.76Å; T208-A212 PolarHBondContact O-N 2.95Å; T208-I227 HydrophobicContact CG2-CD1 4.01Å
209	M	98.8	Very high	98.6	Very high	15 Å²	15	25.2 Å²	25.2	7%	0.074	14%	0.136	C	C	.	.	H	α-helix	trans	-68.8	-37.1	177	-61.3	-50.5	-67.4	0	0	112.7	T30 K31 F33 F38 P205 A206 C207 A212 K213 I227	T30-M209 HydrophobicContact CG2-CG 4.15Å; K31-M209 WeakPolarHBondContact O-CE 3.25Å; F33-M209 HydrophobicContact CB-CE 3.8Å; F38-M209 HydrophobicContact CD1-CE 3.7Å; F38-M209 HydrophobicContact CE1-CB 4.31Å; F38-M209 HydrophobicContact CE1-CE 3.61Å; P205-M209 WeakPolarHBondContact O-CG 3.38Å; P205-M209 PolarHBondContact O-N 3.45Å; P205-M209 VanDerWaalsContact O-N 3.1Å; A206-M209 PolarHBondContact O-N 3.42Å; A206-M209 VanDerWaalsContact O-N 3.14Å; C207-M209 VanDerWaalsContact C-N 3.29Å; C207-M209 PolarHBondContact O-N 3.42Å; M209-A212 WeakPolarHBondContact O-CB 3.4Å; M209-A212 PolarHBondContact O-N 3.14Å; M209-K213 PolarHBondContact O-N 3.01Å; M209-K213 VanDerWaalsContact O-N 3.08Å; M209-I227 HydrophobicContact SD-CB 4.29Å; M209-I227 HydrophobicContact SD-CD1 3.84Å; M209-I227 HydrophobicContact SD-CG2 3.9Å
210	L	98.8	Very high	98.6	Very high	47 Å²	47	25.3 Å²	25.3	25%	0.246	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-42.5	172	-69	173	0	0	0	111.5	L109 A206 C207 A212 K213 M214	L109-L210 HydrophobicContact CD2-CB 3.66Å; L109-L210 HydrophobicContact CD2-CD1 4.18Å; A206-L210 WeakPolarHBondContact O-CG 3.4Å; A206-L210 PolarHBondContact O-N 3.11Å; C207-L210 PolarHBondContact O-N 3.48Å; L210-A212 VanDerWaalsContact C-N 3.31Å; L210-A212 PolarHBondContact O-N 3.04Å; L210-K213 WeakPolarHBondContact O-CB 3.44Å; L210-K213 PolarHBondContact O-N 3.5Å; L210-M214 WeakPolarHBondContact O-CG 3.26Å; L210-M214 PolarHBondContact O-N 3.39Å
211	L	98.9	Very high	98.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-39.5	174.4	-70.2	172.9	0	0	0	112	Y98 I102 L109 A179 L183 C207 T208 M214 L215	Y98-L211 WeakPolarHBondContact CE2-O 3.46Å; Y98-L211 PolarHBondContact OH-O 3.01Å; I102-L211 HydrophobicContact CD1-CD2 4.12Å; I102-L211 HydrophobicContact CG1-CD2 3.92Å; L109-L211 HydrophobicContact CD1-CD2 3.97Å; L109-L211 HydrophobicContact CD2-CD2 4.02Å; L109-L211 HydrophobicContact CD2-CG 4.09Å; A179-L211 HydrophobicContact CB-CD1 4.25Å; L183-L211 HydrophobicContact CD1-CD1 4.08Å; L183-L211 HydrophobicContact CD1-CD2 4.2Å; L183-L211 HydrophobicContact CD2-CD1 4.12Å; L183-L211 HydrophobicContact CD2-CD2 4.34Å; L183-L211 HydrophobicContact CG-CD1 3.95Å; C207-L211 WeakPolarHBondContact O-CG 3.4Å; C207-L211 PolarHBondContact O-N 3.27Å; T208-L211 WeakPolarHBondContact O-CB 3.26Å; T208-L211 PolarHBondContact O-N 2.76Å; L211-M214 PolarHBondContact O-N 2.84Å; L211-L215 WeakPolarHBondContact O-CB 3.27Å; L211-L215 PolarHBondContact O-N 3.1Å
212	A	98.8	Very high	98.6	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-40.9	175	0	0	0	0	0	112.5	F33 T208 M209 L210 L215 Q216 L225 I227	F33-A212 HydrophobicContact CD1-CB 4.22Å; F33-A212 HydrophobicContact CD2-CB 4.34Å; F33-A212 HydrophobicContact CE1-CB 4.42Å; F33-A212 HydrophobicContact CG-CB 4.17Å; T208-A212 PolarHBondContact O-N 2.95Å; M209-A212 WeakPolarHBondContact O-CB 3.4Å; M209-A212 PolarHBondContact O-N 3.14Å; L210-A212 VanDerWaalsContact C-N 3.31Å; L210-A212 PolarHBondContact O-N 3.04Å; A212-L215 PolarHBondContact O-N 3.27Å; A212-Q216 PolarHBondContact O-N 3.38Å; A212-L225 HydrophobicContact CB-CD2 4.1Å; A212-I227 HydrophobicContact CB-CD1 3.53Å
213	K	98.7	Very high	98.6	Very high	81 Å²	81	29.7 Å²	29.7	35%	0.352	16%	0.164	S	C	.	.	H	α-helix	trans	-60.2	-46.8	173.9	-177.6	62.1	176.1	71.7	0	111.3	F38 M209 L210 L215 Q216 D217	F38-K213 HydrophobicContact CE2-CB 4.19Å; F38-K213 HydrophobicContact CE2-CD 3.78Å; F38-K213 HydrophobicContact CZ-CB 3.79Å; F38-K213 HydrophobicContact CZ-CD 4.26Å; M209-K213 PolarHBondContact O-N 3.01Å; M209-K213 VanDerWaalsContact O-N 3.08Å; L210-K213 WeakPolarHBondContact O-CB 3.44Å; L210-K213 PolarHBondContact O-N 3.5Å; K213-L215 VanDerWaalsContact C-N 3.3Å; K213-L215 PolarHBondContact O-N 3.32Å; K213-Q216 WeakPolarHBondContact O-CB 3.45Å; K213-Q216 PolarHBondContact O-N 2.91Å; K213-D217 IonicContact NZ-OD1 3.71Å; K213-D217 PolarHBondContact NZ-OD1 2.94Å; K213-D217 IonicContact NZ-OD2 3.26Å; K213-D217 PolarHBondContact NZ-OD2 3.33Å; K213-D217 PolarHBondContact O-N 3.12Å
214	M	98.8	Very high	98.6	Very high	14 Å²	14	25.5 Å²	25.5	7%	0.069	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-35.8	178.3	-68.1	173.8	-169.5	0	0	112	Y98 L101 I102 N105 L109 L210 L211 D217 A218	Y98-M214 HydrophobicContact CD2-CB 4.21Å; Y98-M214 HydrophobicContact CE2-CB 3.81Å; L101-M214 HydrophobicContact CB-CB 4.28Å; L101-M214 HydrophobicContact CB-CG 4.5Å; L101-M214 VanDerWaalsContact CD1-O 3.28Å; L101-M214 WeakPolarHBondContact CD1-O 3.37Å; I102-M214 HydrophobicContact CG1-SD 4.41Å; N105-M214 HydrophobicContact CB-CE 3.35Å; N105-M214 HydrophobicContact CB-SD 4.31Å; L109-M214 HydrophobicContact CD1-CE 4.11Å; L109-M214 HydrophobicContact CD1-SD 4.14Å; L109-M214 HydrophobicContact CD2-CE 3.96Å; L109-M214 HydrophobicContact CD2-SD 4.43Å; L109-M214 HydrophobicContact CG-CE 3.97Å; L210-M214 WeakPolarHBondContact O-CG 3.26Å; L210-M214 PolarHBondContact O-N 3.39Å; L211-M214 PolarHBondContact O-N 2.84Å; M214-D217 PolarHBondContact O-N 2.82Å; M214-A218 PolarHBondContact O-N 3.46Å
215	L	98.8	Very high	98.6	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-40.4	175.5	-171.9	68.8	0	0	0	111.6	F95 Y98 F186 M190 L211 A212 K213 A218 M220 L225	F95-L215 HydrophobicContact CE1-CD1 4.49Å; Y98-L215 HydrophobicContact CD1-CD1 3.79Å; Y98-L215 HydrophobicContact CD2-CB 4.12Å; Y98-L215 HydrophobicContact CD2-CD1 3.95Å; Y98-L215 HydrophobicContact CE1-CD1 4Å; Y98-L215 HydrophobicContact CE2-CB 3.81Å; Y98-L215 HydrophobicContact CE2-CD1 4.15Å; Y98-L215 HydrophobicContact CG-CD1 3.78Å; F186-L215 HydrophobicContact CD2-CD2 4.22Å; F186-L215 HydrophobicContact CE2-CD1 4.48Å; F186-L215 HydrophobicContact CE2-CD2 3.81Å; M190-L215 HydrophobicContact CE-CD2 3.96Å; M190-L215 HydrophobicContact SD-CD2 4.07Å; L211-L215 WeakPolarHBondContact O-CB 3.27Å; L211-L215 PolarHBondContact O-N 3.1Å; A212-L215 PolarHBondContact O-N 3.27Å; K213-L215 VanDerWaalsContact C-N 3.3Å; K213-L215 PolarHBondContact O-N 3.32Å; L215-A218 WeakPolarHBondContact O-CB 3.48Å; L215-A218 PolarHBondContact O-N 3.29Å; L215-M220 HydrophobicContact CD1-CB 4.28Å; L215-M220 HydrophobicContact CD1-CE 3.77Å; L215-M220 HydrophobicContact CD1-CG 4.5Å; L215-M220 HydrophobicContact CD2-CB 4.39Å; L215-M220 HydrophobicContact CD2-CE 4.38Å; L215-M220 HydrophobicContact CD2-CG 4.07Å; L215-M220 HydrophobicContact CG-CB 3.77Å; L215-M220 HydrophobicContact CG-CE 4.25Å; L215-M220 HydrophobicContact CG-CG 3.98Å; L215-M220 WeakPolarHBondContact O-CB 3.23Å; L215-M220 PolarHBondContact O-N 3.23Å; L215-L225 HydrophobicContact CD2-CB 4Å; L215-L225 HydrophobicContact CD2-CD2 3.56Å; L215-L225 HydrophobicContact CD2-CG 4.39Å
216	Q	98.2	Very high	98.6	Very high	59 Å²	59	25.6 Å²	25.6	28%	0.276	15%	0.148	S	C	.	.	H	α-helix	trans	-61.5	-45.6	172.3	179.9	172.8	44.1	0	0	111.4	F33 G36 A212 K213 A218 G219	F33-Q216 HydrophobicContact CZ-CB 4.42Å; G36-Q216 PolarHBondContact O-NE2 3.22Å; A212-Q216 PolarHBondContact O-N 3.38Å; K213-Q216 WeakPolarHBondContact O-CB 3.45Å; K213-Q216 PolarHBondContact O-N 2.91Å; Q216-A218 PolarHBondContact O-N 2.84Å; Q216-G219 WeakPolarHBondContact O-CA 3.27Å; Q216-G219 PolarHBondContact O-N 2.94Å
217	D	98.5	Very high	98.6	Very high	91 Å²	91	24.2 Å²	24.2	49%	0.487	14%	0.137	S	C	.	.	H	α-helix	trans	-64.8	-25.8	178.1	-67.3	-22.2	0	0	0	112.7	L101 K213 M214 G219	L101-D217 HydrophobicContact CD1-CB 4.02Å; K213-D217 IonicContact NZ-OD1 3.71Å; K213-D217 PolarHBondContact NZ-OD1 2.94Å; K213-D217 IonicContact NZ-OD2 3.26Å; K213-D217 PolarHBondContact NZ-OD2 3.33Å; K213-D217 PolarHBondContact O-N 3.12Å; M214-D217 PolarHBondContact O-N 2.82Å; D217-G219 PolarHBondContact O-N 3.32Å
218	A	98.7	Very high	98.7	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-6.5	170.9	0	0	0	0	0	113.4	I94 R97 Y98 L101 M214 L215 Q216	I94-A218 HydrophobicContact CG2-CB 4.13Å; R97-A218 HydrophobicContact CB-CB 4.14Å; R97-A218 VanDerWaalsContact CZ-O 3.29Å; R97-A218 PolarHBondContact NE-O 3.45Å; R97-A218 PolarHBondContact NH2-O 2.93Å; Y98-A218 HydrophobicContact CD2-CB 4.43Å; L101-A218 HydrophobicContact CD1-CB 4.01Å; M214-A218 PolarHBondContact O-N 3.46Å; L215-A218 WeakPolarHBondContact O-CB 3.48Å; L215-A218 PolarHBondContact O-N 3.29Å; Q216-A218 PolarHBondContact O-N 2.84Å
219	G	98.3	Very high	98.7	Very high	45 Å²	45	24.1 Å²	24.1	46%	0.464	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	28.2	179.8	0	0	0	0	0	113.5	Q216 D217	Q216-G219 WeakPolarHBondContact O-CA 3.27Å; Q216-G219 PolarHBondContact O-N 2.94Å; D217-G219 PolarHBondContact O-N 3.32Å
220	M	98.4	Very high	98.6	Very high	11 Å²	11	23.5 Å²	23.5	5%	0.054	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-66.9	131.6	172.3	-175.1	60.8	74.7	0	0	110.1	W83 I94 F95 M190 L215 T224	W83-M220 HydrophobicContact CH2-CE 4.16Å; W83-M220 HydrophobicContact CH2-SD 3.77Å; W83-M220 HydrophobicContact CZ2-CE 4.13Å; W83-M220 HydrophobicContact CZ2-SD 3.9Å; W83-M220 HydrophobicContact CZ3-SD 4.23Å; I94-M220 HydrophobicContact CG2-CB 4.27Å; I94-M220 HydrophobicContact CG2-CE 3.71Å; I94-M220 HydrophobicContact CG2-SD 4.45Å; F95-M220 HydrophobicContact CE2-CE 3.94Å; F95-M220 HydrophobicContact CZ-CE 3.79Å; M190-M220 HydrophobicContact CE-CE 3.58Å; M190-M220 HydrophobicContact CE-CG 3.71Å; M190-M220 HydrophobicContact CE-SD 3.54Å; M190-M220 VanDerWaalsContact CE-SD 3.54Å; L215-M220 HydrophobicContact CD1-CB 4.28Å; L215-M220 HydrophobicContact CD1-CE 3.77Å; L215-M220 HydrophobicContact CD1-CG 4.5Å; L215-M220 HydrophobicContact CD2-CB 4.39Å; L215-M220 HydrophobicContact CD2-CE 4.38Å; L215-M220 HydrophobicContact CD2-CG 4.07Å; L215-M220 HydrophobicContact CG-CB 3.77Å; L215-M220 HydrophobicContact CG-CE 4.25Å; L215-M220 HydrophobicContact CG-CG 3.98Å; L215-M220 WeakPolarHBondContact O-CB 3.23Å; L215-M220 PolarHBondContact O-N 3.23Å; M220-T224 WeakPolarHBondContact CG-OG1 3.31Å; M220-T224 PolarHBondContact SD-OG1 3.46Å; M220-T224 VanDerWaalsContact SD-OG1 3.41Å
221	P	98.5	Very high	98.5	Very high	55 Å²	55	24.7 Å²	24.7	36%	0.357	14%	0.138	S	C	.	.	P	Polyproline II helix	trans	-61.2	144	178.8	-23.9	34.7	0	0	0	112.9	W83 T224	W83-P221 HydrophobicContact CE3-CG 4.04Å; W83-P221 HydrophobicContact CZ3-CG 4.14Å; P221-T224 HydrophobicContact CB-CG2 3.98Å; P221-T224 HydrophobicContact CG-CG2 4.44Å; P221-T224 WeakPolarHBondContact O-CB 3.33Å; P221-T224 WeakPolarHBondContact O-CG2 3.47Å; P221-T224 PolarHBondContact O-N 3.03Å; P221-T224 PolarHBondContact O-OG1 2.9Å
222	D	98.6	Very high	98.4	Very high	79 Å²	79	31.7 Å²	31.7	42%	0.422	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	141.6	176.9	-69.2	-10.5	0	0	0	111.3	G36 S79 T224	G36-D222 WeakPolarHBondContact CA-OD1 3.38Å; S79-D222 PolarHBondContact OG-O 3.46Å; S79-D222 VanDerWaalsContact OG-O 3.13Å; D222-T224 PolarHBondContact O-N 2.82Å
223	G	98.3	Very high	98.3	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.01	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	-4.9	176.5	0	0	0	0	0	115.7	N35 S75 C76 S79 N226	N35-G223 PolarHBondContact OD1-N 2.93Å; S75-G223 WeakPolarHBondContact OG-CA 3.44Å; C76-G223 WeakPolarHBondContact CA-O 3.49Å; S79-G223 WeakPolarHBondContact OG-CA 3.27Å; G223-N226 PolarHBondContact O-ND2 3.17Å
224	T	98.6	Very high	98.3	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	18%	0.184	C	C	.	.	S	Bend	trans	-73.4	-33.1	174.4	59.6	0	0	0	0	113	W83 M190 T195 Y196 M220 P221 D222	W83-T224 HydrophobicContact CB-CG2 3.95Å; W83-T224 HydrophobicContact CD2-CG2 4.11Å; W83-T224 HydrophobicContact CG-CG2 3.84Å; M190-T224 VanDerWaalsContact CE-OG1 3.29Å; M190-T224 WeakPolarHBondContact CE-OG1 3.37Å; T195-T224 CarbonylContact C-O 3.55Å; T195-T224 VanDerWaalsContact CA-O 3.32Å; T195-T224 WeakPolarHBondContact CA-O 3.44Å; T195-T224 HydrophobicContact CG2-CG2 4.25Å; Y196-T224 PolarHBondContact N-O 3.46Å; M220-T224 WeakPolarHBondContact CG-OG1 3.31Å; M220-T224 PolarHBondContact SD-OG1 3.46Å; M220-T224 VanDerWaalsContact SD-OG1 3.41Å; P221-T224 HydrophobicContact CB-CG2 3.98Å; P221-T224 HydrophobicContact CG-CG2 4.44Å; P221-T224 WeakPolarHBondContact O-CB 3.33Å; P221-T224 WeakPolarHBondContact O-CG2 3.47Å; P221-T224 PolarHBondContact O-N 3.03Å; P221-T224 PolarHBondContact O-OG1 2.9Å; D222-T224 PolarHBondContact O-N 2.82Å
225	L	98.9	Very high	98.3	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.6	166.6	175.8	66.1	0	0	0	109	F33 F186 M190 Y196 L198 A212 L215 I227	F33-L225 HydrophobicContact CD1-CG 4.41Å; F33-L225 WeakPolarHBondContact CD1-O 3.32Å; F33-L225 HydrophobicContact CE1-CB 4.45Å; F33-L225 HydrophobicContact CE1-CG 4.48Å; F33-L225 WeakPolarHBondContact CE1-O 3.37Å; F186-L225 HydrophobicContact CB-CD1 4.18Å; F186-L225 HydrophobicContact CD2-CD1 4.42Å; F186-L225 HydrophobicContact CD2-CD2 4.44Å; F186-L225 HydrophobicContact CE2-CD2 4.43Å; F186-L225 HydrophobicContact CG-CD1 4.19Å; M190-L225 HydrophobicContact CE-CB 3.9Å; M190-L225 HydrophobicContact SD-CB 4.02Å; M190-L225 HydrophobicContact SD-CD1 4.47Å; Y196-L225 WeakPolarHBondContact O-CA 3.28Å; L198-L225 HydrophobicContact CB-CD1 4.33Å; A212-L225 HydrophobicContact CB-CD2 4.1Å; L215-L225 HydrophobicContact CD2-CB 4Å; L215-L225 HydrophobicContact CD2-CD2 3.56Å; L215-L225 HydrophobicContact CD2-CG 4.39Å; L225-I227 HydrophobicContact CD1-CG1 4.47Å; L225-I227 HydrophobicContact CD2-CD1 4.41Å; L225-I227 HydrophobicContact CG-CG1 4.41Å
226	N	98.9	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.5	167.4	-64	-91.5	0	0	0	109.8	F33 I34 N35 A72 S75 C76 Y196 L197 L198 G223	F33-N226 CarbonylContact O-C 3.51Å; F33-N226 WeakPolarHBondContact O-CA 3.5Å; I34-N226 WeakPolarHBondContact CA-OD1 3.4Å; N35-N226 PolarHBondContact N-OD1 2.94Å; A72-N226 HydrophobicContact CB-CB 4Å; A72-N226 PolarHBondContact O-ND2 3.36Å; S75-N226 PolarHBondContact OG-OD1 2.93Å; C76-N226 PolarHBondContact SG-ND2 2.83Å; Y196-N226 PolarHBondContact O-N 2.91Å; L197-N226 WeakPolarHBondContact CA-O 3.4Å; L197-N226 HydrophobicContact CD1-CB 4.03Å; L198-N226 PolarHBondContact N-O 3.49Å; G223-N226 PolarHBondContact O-ND2 3.17Å
227	I	98.9	Very high	98.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.7	179	-57.3	169.8	0	0	0	109.1	F33 L198 P200 T208 M209 A212 L225	F33-I227 HydrophobicContact CB-CB 3.88Å; F33-I227 HydrophobicContact CB-CD1 4.09Å; F33-I227 HydrophobicContact CB-CG1 4.11Å; F33-I227 PolarHBondContact N-O 2.91Å; F33-I227 VanDerWaalsContact N-O 3.07Å; F33-I227 PolarHBondContact O-N 3.23Å; L198-I227 HydrophobicContact CB-CG1 4.25Å; L198-I227 HydrophobicContact CD2-CG1 4.47Å; L198-I227 VanDerWaalsContact O-CA 3.32Å; L198-I227 WeakPolarHBondContact O-CA 3.48Å; P200-I227 HydrophobicContact CG-CG2 3.94Å; T208-I227 HydrophobicContact CG2-CD1 4.01Å; M209-I227 HydrophobicContact SD-CB 4.29Å; M209-I227 HydrophobicContact SD-CD1 3.84Å; M209-I227 HydrophobicContact SD-CG2 3.9Å; A212-I227 HydrophobicContact CB-CD1 3.53Å; L225-I227 HydrophobicContact CD1-CG1 4.47Å; L225-I227 HydrophobicContact CD2-CD1 4.41Å; L225-I227 HydrophobicContact CG-CG1 4.41Å
228	I	98.8	Very high	98.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.			trans	-114.1	154.1	171.3	60.1	169.1	0	0	0	110.2	A64 M69 A72 L197 L198 K199 A234 F237 I238	A64-I228 HydrophobicContact CB-CB 4.39Å; M69-I228 HydrophobicContact CB-CD1 4.49Å; M69-I228 HydrophobicContact CG-CD1 3.86Å; M69-I228 HydrophobicContact SD-CD1 4.12Å; A72-I228 HydrophobicContact CB-CG2 3.58Å; L197-I228 HydrophobicContact CD1-CD1 4.28Å; L197-I228 HydrophobicContact CD1-CG1 4.02Å; L197-I228 HydrophobicContact CD1-CG2 3.99Å; L197-I228 HydrophobicContact CD2-CD1 4.18Å; L197-I228 HydrophobicContact CG-CD1 4.39Å; L197-I228 HydrophobicContact CG-CG1 4.41Å; L198-I228 PolarHBondContact O-N 3.33Å; K199-I228 WeakPolarHBondContact CA-O 3.33Å; K199-I228 HydrophobicContact CB-CG1 4.38Å; K199-I228 HydrophobicContact CG-CG1 4.4Å; I228-A234 HydrophobicContact CD1-CB 4.3Å; I228-F237 HydrophobicContact CD1-CD1 4.39Å; I228-I238 HydrophobicContact CD1-CD1 4.45Å
229	H	98.7	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.			trans	-119.5	162.9	176.3	-60.8	-64.1	0	0	0	111.3	T30 K31 L32 V61 P62 A64	T30-H229 WeakPolarHBondContact CG2-NE2 3.26Å; K31-H229 PolarHBondContact O-NE2 3.5Å; L32-H229 HydrophobicContact CD2-CB 4.49Å; V61-H229 HydrophobicContact CG2-CB 3.45Å; V61-H229 VanDerWaalsContact CG2-CB 3.45Å; P62-H229 HydrophobicContact CG-CB 4.42Å; P62-H229 CarbonylContact O-C 3.53Å; P62-H229 VanDerWaalsContact O-CB 3.23Å; P62-H229 WeakPolarHBondContact O-CB 3.49Å; A64-H229 WeakPolarHBondContact CB-O 3.34Å; A64-H229 PolarHBondContact N-O 3.41Å
230	G	97.1	Very high	98.4	Very high	2 Å²	2	29 Å²	29	2%	0.021	15%	0.152	C	C	.	.			trans	138.4	-171.4	-179.3	0	0	0	0	0	111.8	K199	K199-G230 WeakPolarHBondContact CE-O 3.18Å; K199-G230 PolarHBondContact NZ-O 2.88Å
231	Q	96.5	Very high	98.4	Very high	71 Å²	71	30.1 Å²	30.1	33%	0.332	16%	0.157	S	C	.	.	S	Bend	trans	-118.3	-117.7	-176.5	-64.1	-176.8	-52.8	0	0	110.3	L47 E202 D233 A234 V235	L47-Q231 HydrophobicContact CD1-CG 3.73Å; E202-Q231 HydrophobicContact CG-CG 4.14Å; E202-Q231 WeakPolarHBondContact OE1-CG 3.5Å; E202-Q231 PolarHBondContact OE1-NE2 3.5Å; Q231-D233 PolarHBondContact O-N 2.85Å; Q231-A234 PolarHBondContact O-N 3.48Å; Q231-V235 WeakPolarHBondContact O-CG2 3.45Å; Q231-V235 PolarHBondContact O-N 3.28Å
232	H	96.7	Very high	98.4	Very high	147 Å²	147	32.2 Å²	32.2	68%	0.681	17%	0.171	S	C	*	.	H	α-helix	trans	-60	-42.6	-174.4	-64	-63.1	0	0	0	113.4	A234 V235 N236	H232-A234 PolarHBondContact O-N 3.03Å; H232-V235 PolarHBondContact O-N 2.81Å; H232-N236 WeakPolarHBondContact O-CB 3.48Å; H232-N236 VanDerWaalsContact O-CG 3.24Å; H232-N236 PolarHBondContact O-N 3.33Å; H232-N236 PolarHBondContact O-ND2 3.47Å
233	D	98.1	Very high	98.4	Very high	115 Å²	115	29.7 Å²	29.7	62%	0.615	16%	0.16	S	C	*	.	H	α-helix	trans	-66.6	-40	-177.3	-62.2	-27.5	0	0	0	112.5	Q231 V235 N236 F237	Q231-D233 PolarHBondContact O-N 2.85Å; D233-V235 VanDerWaalsContact C-N 3.33Å; D233-V235 PolarHBondContact O-N 2.92Å; D233-N236 PolarHBondContact O-N 3.18Å; D233-F237 WeakPolarHBondContact O-CB 3.45Å; D233-F237 PolarHBondContact O-N 3.02Å
234	A	98.5	Very high	98.4	Very high	3 Å²	3	29.7 Å²	29.7	3%	0.025	16%	0.16	C	C	.	.	H	α-helix	trans	-65.1	-37.1	175	0	0	0	0	0	112.3	M69 K199 I228 Q231 H232 I238	M69-A234 VanDerWaalsContact SD-CA 3.6Å; M69-A234 HydrophobicContact SD-CB 4.03Å; K199-A234 HydrophobicContact CD-CB 4.33Å; K199-A234 HydrophobicContact CG-CB 4.06Å; I228-A234 HydrophobicContact CD1-CB 4.3Å; Q231-A234 PolarHBondContact O-N 3.48Å; H232-A234 PolarHBondContact O-N 3.03Å; A234-I238 WeakPolarHBondContact O-CG1 3.4Å; A234-I238 PolarHBondContact O-N 2.96Å
235	V	98.7	Very high	98.4	Very high	18 Å²	18	34.4 Å²	34.4	11%	0.109	18%	0.18	C	C	.	.	H	α-helix	trans	-67.2	-45.7	173.9	171.5	0	0	0	0	111	I172 K199 Q231 H232 D233 F237 I238 C239 I259	I172-V235 HydrophobicContact CD1-CB 4.49Å; I172-V235 HydrophobicContact CD1-CG1 4.1Å; I172-V235 HydrophobicContact CD1-CG2 4.19Å; I172-V235 HydrophobicContact CG2-CG2 4.39Å; K199-V235 HydrophobicContact CD-CG2 4.25Å; Q231-V235 WeakPolarHBondContact O-CG2 3.45Å; Q231-V235 PolarHBondContact O-N 3.28Å; H232-V235 PolarHBondContact O-N 2.81Å; D233-V235 VanDerWaalsContact C-N 3.33Å; D233-V235 PolarHBondContact O-N 2.92Å; V235-F237 VanDerWaalsContact C-N 3.34Å; V235-F237 PolarHBondContact O-N 3.44Å; V235-I238 PolarHBondContact O-N 2.86Å; V235-C239 PolarHBondContact O-N 2.86Å; V235-C239 PolarHBondContact O-SG 3.23Å; V235-C239 VanDerWaalsContact O-SG 3.35Å; V235-I259 HydrophobicContact CG1-CD1 3.7Å; V235-I259 HydrophobicContact CG1-CG1 3.55Å
236	N	98.8	Very high	98.4	Very high	31 Å²	31	34.2 Å²	34.2	17%	0.166	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-45	177.5	-72.6	-21.2	0	0	0	111.5	H232 D233 I238 C239 D240 Y258 R262	H232-N236 WeakPolarHBondContact O-CB 3.48Å; H232-N236 VanDerWaalsContact O-CG 3.24Å; H232-N236 PolarHBondContact O-N 3.33Å; H232-N236 PolarHBondContact O-ND2 3.47Å; D233-N236 PolarHBondContact O-N 3.18Å; N236-I238 VanDerWaalsContact C-N 3.32Å; N236-I238 PolarHBondContact O-N 2.68Å; N236-C239 PolarHBondContact O-N 2.72Å; N236-C239 VanDerWaalsContact O-N 3.13Å; N236-D240 WeakPolarHBondContact O-CB 3.34Å; N236-D240 VanDerWaalsContact O-CG 3.23Å; N236-D240 PolarHBondContact O-N 2.71Å; N236-Y258 VanDerWaalsContact OD1-CE1 3.32Å; N236-Y258 WeakPolarHBondContact OD1-CE1 3.08Å; N236-Y258 PolarHBondContact OD1-OH 2.6Å; N236-R262 PolarHBondContact OD1-NH1 3.22Å
237	F	98.9	Very high	98.4	Very high	14 Å²	14	34.2 Å²	34.2	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-53.5	-49.6	174.5	177	-93.1	0	0	0	111.5	M69 L70 V73 L197 I228 D233 V235 C239 D240 H241	M69-F237 VanDerWaalsContact C-CZ 3.42Å; M69-F237 HydrophobicContact CB-CD1 3.85Å; M69-F237 HydrophobicContact CB-CD2 3.9Å; M69-F237 HydrophobicContact CB-CE1 3.77Å; M69-F237 HydrophobicContact CB-CE2 3.81Å; M69-F237 HydrophobicContact CB-CG 3.92Å; M69-F237 HydrophobicContact CB-CZ 3.74Å; M69-F237 HydrophobicContact CE-CB 4.12Å; M69-F237 HydrophobicContact CE-CD2 4.32Å; M69-F237 HydrophobicContact CE-CG 4.29Å; M69-F237 HydrophobicContact CG-CD1 4.42Å; M69-F237 HydrophobicContact CG-CG 4.44Å; M69-F237 WeakPolarHBondContact O-CE1 3.41Å; M69-F237 VanDerWaalsContact O-CZ 3.24Å; M69-F237 WeakPolarHBondContact O-CZ 3.4Å; M69-F237 HydrophobicContact SD-CB 3.69Å; M69-F237 HydrophobicContact SD-CD1 4.16Å; M69-F237 HydrophobicContact SD-CD2 4.34Å; M69-F237 HydrophobicContact SD-CG 3.81Å; L70-F237 HydrophobicContact CD2-CE2 3.97Å; L70-F237 HydrophobicContact CD2-CZ 4.37Å; L70-F237 HydrophobicContact CG-CE2 4.2Å; V73-F237 HydrophobicContact CB-CE1 4.24Å; V73-F237 HydrophobicContact CB-CZ 4.17Å; V73-F237 HydrophobicContact CG1-CE1 4.27Å; V73-F237 HydrophobicContact CG1-CZ 3.71Å; L197-F237 HydrophobicContact CD2-CD1 4.45Å; L197-F237 HydrophobicContact CD2-CE1 4.02Å; I228-F237 HydrophobicContact CD1-CD1 4.39Å; D233-F237 WeakPolarHBondContact O-CB 3.45Å; D233-F237 PolarHBondContact O-N 3.02Å; V235-F237 VanDerWaalsContact C-N 3.34Å; V235-F237 PolarHBondContact O-N 3.44Å; F237-C239 VanDerWaalsContact C-N 3.34Å; F237-C239 PolarHBondContact O-N 2.84Å; F237-D240 PolarHBondContact O-N 3.4Å; F237-H241 HydrophobicContact CE1-CB 4.44Å; F237-H241 AromaticContact CE2-CD2 3.62Å; F237-H241 HydrophobicContact CZ-CB 4.32Å; F237-H241 AromaticContact CZ-CD2 3.62Å; F237-H241 VanDerWaalsContact O-CB 3.29Å; F237-H241 WeakPolarHBondContact O-CB 3.42Å; F237-H241 PolarHBondContact O-N 3.45Å
238	I	98.9	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.1	-44	177.3	-73.3	168.9	0	0	0	111.7	A170 I172 L197 K199 I228 A234 V235 N236 D240 I244 I247	A170-I238 HydrophobicContact CB-CG1 4.39Å; A170-I238 HydrophobicContact CB-CG2 3.51Å; I172-I238 HydrophobicContact CD1-CB 4.46Å; I172-I238 HydrophobicContact CD1-CD1 4.22Å; I172-I238 HydrophobicContact CD1-CG2 4.11Å; I172-I238 HydrophobicContact CG1-CD1 3.86Å; L197-I238 HydrophobicContact CD2-CG1 4.11Å; K199-I238 HydrophobicContact CB-CD1 3.75Å; K199-I238 HydrophobicContact CG-CD1 4.49Å; I228-I238 HydrophobicContact CD1-CD1 4.45Å; A234-I238 WeakPolarHBondContact O-CG1 3.4Å; A234-I238 PolarHBondContact O-N 2.96Å; V235-I238 PolarHBondContact O-N 2.86Å; N236-I238 VanDerWaalsContact C-N 3.32Å; N236-I238 PolarHBondContact O-N 2.68Å; I238-D240 VanDerWaalsContact C-N 3.32Å; I238-D240 PolarHBondContact O-N 2.94Å; I238-I244 HydrophobicContact CB-CD1 4.31Å; I238-I244 HydrophobicContact CG1-CD1 4.33Å; I238-I244 HydrophobicContact CG2-CD1 4.28Å; I238-I244 WeakPolarHBondContact O-CD1 3.42Å; I238-I247 HydrophobicContact CG2-CD1 4.07Å; I238-I247 HydrophobicContact CG2-CG1 3.99Å; I238-I247 HydrophobicContact CG2-CG2 4.3Å
239	C	98.8	Very high	98.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.1	-34.3	179.9	-71.4	0	0	0	0	113.1	V235 N236 F237 R262 N266 K268	V235-C239 PolarHBondContact O-N 2.86Å; V235-C239 PolarHBondContact O-SG 3.23Å; V235-C239 VanDerWaalsContact O-SG 3.35Å; N236-C239 PolarHBondContact O-N 2.72Å; N236-C239 VanDerWaalsContact O-N 3.13Å; F237-C239 VanDerWaalsContact C-N 3.34Å; F237-C239 PolarHBondContact O-N 2.84Å; C239-R262 HydrophobicContact CB-CB 4.24Å; C239-R262 HydrophobicContact CB-CG 3.87Å; C239-N266 PolarHBondContact O-ND2 3.24Å; C239-K268 WeakPolarHBondContact O-CE 3.15Å; C239-K268 PolarHBondContact O-NZ 3.42Å
240	D	98.8	Very high	98.4	Very high	58 Å²	58	35 Å²	35	31%	0.31	18%	0.183	S	C	.	.	H	α-helix	trans	-96.9	-35.5	-170.3	-64	-23.4	0	0	0	113	N236 F237 I238 R262 N266 K268	N236-D240 WeakPolarHBondContact O-CB 3.34Å; N236-D240 VanDerWaalsContact O-CG 3.23Å; N236-D240 PolarHBondContact O-N 2.71Å; F237-D240 PolarHBondContact O-N 3.4Å; I238-D240 VanDerWaalsContact C-N 3.32Å; I238-D240 PolarHBondContact O-N 2.94Å; D240-R262 IonicContact OD1-CZ 3.04Å; D240-R262 IonicContact OD1-NE 2.95Å; D240-R262 PolarHBondContact OD1-NE 2.9Å; D240-R262 IonicContact OD1-NH2 2.7Å; D240-R262 PolarHBondContact OD1-NH2 3.37Å; D240-R262 IonicContact OD2-CZ 3.54Å; D240-R262 VanDerWaalsContact OD2-CZ 3.27Å; D240-R262 IonicContact OD2-NE 2.78Å; D240-R262 PolarHBondContact OD2-NE 3.28Å; D240-R262 IonicContact OD2-NH2 3.47Å; D240-R262 PolarHBondContact OD2-NH2 3.29Å; D240-N266 PolarHBondContact OD1-ND2 3.39Å; D240-K268 PolarHBondContact O-NZ 3.36Å
241	H	98.8	Very high	98.4	Very high	33 Å²	33	35.9 Å²	35.9	15%	0.153	19%	0.193	C	C	.	.			trans	-59.7	127.7	-169.5	-161.5	-85	0	0	0	112.5	V73 F237 A243 I244 K268	V73-H241 VanDerWaalsContact CG1-CE1 3.42Å; V73-H241 WeakPolarHBondContact CG1-CE1 3.48Å; F237-H241 HydrophobicContact CE1-CB 4.44Å; F237-H241 AromaticContact CE2-CD2 3.62Å; F237-H241 HydrophobicContact CZ-CB 4.32Å; F237-H241 AromaticContact CZ-CD2 3.62Å; F237-H241 VanDerWaalsContact O-CB 3.29Å; F237-H241 WeakPolarHBondContact O-CB 3.42Å; F237-H241 PolarHBondContact O-N 3.45Å; H241-A243 VanDerWaalsContact C-N 3.3Å; H241-A243 WeakPolarHBondContact ND1-CB 3.43Å; H241-A243 PolarHBondContact ND1-N 3.29Å; H241-A243 PolarHBondContact O-N 3.32Å; H241-I244 HydrophobicContact CB-CD1 4.09Å; H241-I244 HydrophobicContact CB-CG1 4.48Å; H241-I244 PolarHBondContact O-N 3.32Å; H241-K268 WeakPolarHBondContact O-CE 3.37Å; H241-K268 PolarHBondContact O-NZ 2.91Å
242	P	98.5	Very high	98.4	Very high	100 Å²	100	35.4 Å²	35.4	65%	0.649	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.4	-169.7	27.1	-35.9	0	0	0	114.5	I244 K245	P242-I244 VanDerWaalsContact C-N 3.32Å; P242-K245 PolarHBondContact O-NZ 3.42Å
243	A	98.5	Very high	98.4	Very high	25 Å²	25	30.3 Å²	30.3	21%	0.207	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-28.8	176.7	0	0	0	0	0	112.7	V73 H241 K245	V73-A243 HydrophobicContact CG2-CB 4.04Å; H241-A243 VanDerWaalsContact C-N 3.3Å; H241-A243 WeakPolarHBondContact ND1-CB 3.43Å; H241-A243 PolarHBondContact ND1-N 3.29Å; H241-A243 PolarHBondContact O-N 3.32Å; A243-K245 WeakPolarHBondContact O-CE 3.47Å
244	I	98.9	Very high	98.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	126	-177.2	-61.8	169.8	0	0	0	109.4	V73 V168 A170 L197 I238 H241 P242 I247 K268	V73-I244 HydrophobicContact CG2-CD1 4.45Å; V73-I244 HydrophobicContact CG2-CG1 4.08Å; V168-I244 HydrophobicContact CG1-CG1 4.19Å; V168-I244 WeakPolarHBondContact O-CA 3.23Å; A170-I244 HydrophobicContact CB-CD1 4.27Å; A170-I244 HydrophobicContact CB-CG2 3.77Å; L197-I244 HydrophobicContact CD2-CD1 4.1Å; I238-I244 HydrophobicContact CB-CD1 4.31Å; I238-I244 HydrophobicContact CG1-CD1 4.33Å; I238-I244 HydrophobicContact CG2-CD1 4.28Å; I238-I244 WeakPolarHBondContact O-CD1 3.42Å; H241-I244 HydrophobicContact CB-CD1 4.09Å; H241-I244 HydrophobicContact CB-CG1 4.48Å; H241-I244 PolarHBondContact O-N 3.32Å; P242-I244 VanDerWaalsContact C-N 3.32Å; I244-I247 HydrophobicContact CG2-CG1 4.21Å; I244-K268 HydrophobicContact CG2-CD 4.31Å; I244-K268 VanDerWaalsContact O-CE 3.22Å; I244-K268 WeakPolarHBondContact O-CE 3.32Å
245	K	98.8	Very high	98.2	Very high	100 Å²	100	34.4 Å²	34.4	44%	0.435	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-25.8	-174	-55.9	-52.3	-177.9	-168.3	0	113.9	I166 V168 P242 A243 R269	I166-K245 HydrophobicContact CD1-CB 4.34Å; I166-K245 HydrophobicContact CG1-CB 4.43Å; I166-K245 WeakPolarHBondContact O-CG 3.35Å; V168-K245 PolarHBondContact O-N 2.92Å; P242-K245 PolarHBondContact O-NZ 3.42Å; A243-K245 WeakPolarHBondContact O-CE 3.47Å; K245-R269 PolarHBondContact O-N 3.33Å; K245-R269 VanDerWaalsContact O-N 3.1Å
246	A	98.8	Very high	98.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145.3	179.3	0	0	0	0	0	111.8	I166 A170 R269 F495	I166-A246 HydrophobicContact CD1-CB 3.6Å; A170-A246 PolarHBondContact N-O 3Å; A246-R269 CarbonylContact C-O 3.57Å; A246-R269 VanDerWaalsContact CA-O 3.22Å; A246-R269 WeakPolarHBondContact CA-O 3.43Å; A246-R269 HydrophobicContact CB-CB 4.12Å; A246-F495 HydrophobicContact CB-CE1 3.76Å; A246-F495 HydrophobicContact CB-CZ 3.78Å
247	I	98.9	Very high	98.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.2	178.4	-57.4	169.8	0	0	0	109.3	A170 I172 I238 I244 I259 K268 R269 V270 Q271 F495	A170-I247 WeakPolarHBondContact O-CA 3.44Å; I172-I247 HydrophobicContact CD1-CG2 4.34Å; I238-I247 HydrophobicContact CG2-CD1 4.07Å; I238-I247 HydrophobicContact CG2-CG1 3.99Å; I238-I247 HydrophobicContact CG2-CG2 4.3Å; I244-I247 HydrophobicContact CG2-CG1 4.21Å; I247-I259 HydrophobicContact CG2-CG2 3.76Å; I247-K268 HydrophobicContact CD1-CD 3.66Å; I247-K268 HydrophobicContact CG1-CD 4.13Å; I247-R269 PolarHBondContact N-O 3.45Å; I247-V270 HydrophobicContact CB-CG1 4.25Å; I247-V270 HydrophobicContact CB-CG2 4.31Å; I247-V270 HydrophobicContact CD1-CG2 4.49Å; I247-V270 WeakPolarHBondContact O-CA 3.38Å; I247-Q271 PolarHBondContact O-N 3.05Å; I247-F495 WeakPolarHBondContact O-CZ 3.32Å
248	S	98.9	Very high	98.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117	172.4	-175.3	0	0	0	0	109.6	A170 G171 I172 M185 Q271 F487 Y496	A170-S248 PolarHBondContact O-N 3.15Å; G171-S248 CarbonylContact C-O 3.44Å; G171-S248 VanDerWaalsContact CA-O 3.26Å; G171-S248 WeakPolarHBondContact CA-O 3.39Å; I172-S248 PolarHBondContact N-O 3.18Å; M185-S248 WeakPolarHBondContact CE-O 3.25Å; M185-S248 WeakPolarHBondContact CG-OG 3.5Å; S248-Q271 PolarHBondContact OG-NE2 3.19Å; S248-F487 WeakPolarHBondContact OG-CE1 3.41Å; S248-Y496 WeakPolarHBondContact CB-OH 3.22Å
249	F	98.8	Very high	98.1	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.035	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.7	-177.7	171.3	-92.7	0	0	0	111.4	I172 G251 A255 I259 Q271 S272 N273 F487	I172-F249 HydrophobicContact CB-CD2 3.84Å; I172-F249 HydrophobicContact CG2-CD2 3.68Å; I172-F249 HydrophobicContact CG2-CE2 3.96Å; F249-G251 VanDerWaalsContact CE1-N 3.26Å; F249-G251 VanDerWaalsContact CZ-CA 3.44Å; F249-A255 HydrophobicContact CE2-CB 4.04Å; F249-A255 HydrophobicContact CZ-CB 3.63Å; F249-I259 HydrophobicContact CB-CD1 4.48Å; F249-I259 HydrophobicContact CB-CG2 4.22Å; F249-I259 HydrophobicContact CD2-CD1 3.19Å; F249-I259 HydrophobicContact CE2-CD1 3.42Å; F249-I259 VanDerWaalsContact CE2-CD1 3.42Å; F249-I259 HydrophobicContact CG-CD1 3.86Å; F249-I259 HydrophobicContact CZ-CD1 4.23Å; F249-Q271 PolarHBondContact N-O 3.41Å; F249-S272 VanDerWaalsContact CD1-OG 3.26Å; F249-S272 WeakPolarHBondContact CD1-OG 3.46Å; F249-N273 PolarHBondContact O-N 3.05Å; F249-F487 VanDerWaalsContact O-CZ 3.23Å; F249-F487 WeakPolarHBondContact O-CZ 3.33Å
250	V	98.7	Very high	98.1	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.8	163.1	-178.6	0	0	0	0	108.4	I172 P174 I181 M185 N273 F487	I172-V250 PolarHBondContact O-N 3.48Å; P174-V250 WeakPolarHBondContact CD-O 3.45Å; P174-V250 HydrophobicContact CG-CB 4.29Å; P174-V250 HydrophobicContact CG-CG1 4.06Å; I181-V250 HydrophobicContact CD1-CB 4.29Å; I181-V250 HydrophobicContact CD1-CG1 3.79Å; I181-V250 HydrophobicContact CG2-CB 3.89Å; I181-V250 HydrophobicContact CG2-CG2 3.83Å; M185-V250 HydrophobicContact CE-CB 4.2Å; M185-V250 HydrophobicContact CE-CG2 3.66Å; V250-N273 WeakPolarHBondContact CA-O 3.43Å; V250-N273 HydrophobicContact CB-CB 4.3Å; V250-N273 HydrophobicContact CG1-CB 4.11Å; V250-N273 HydrophobicContact CG2-CB 3.93Å; V250-F487 HydrophobicContact CG2-CD1 4.2Å; V250-F487 HydrophobicContact CG2-CE1 3.58Å; V250-F487 HydrophobicContact CG2-CZ 3.82Å
251	G	97.2	Very high	98.1	Very high	21 Å²	21	46.4 Å²	46.4	22%	0.216	24%	0.243	C	C	.	.	S	Bend	trans	169.2	-149.1	177.8	0	0	0	0	0	113.3	F249 N273 M274	F249-G251 VanDerWaalsContact CE1-N 3.26Å; F249-G251 VanDerWaalsContact CZ-CA 3.44Å; G251-N273 PolarHBondContact N-O 2.96Å; G251-M274 CarbonylContact O-C 3.47Å; G251-M274 WeakPolarHBondContact O-CA 3.33Å
252	S	96	Very high	98	Very high	62 Å²	62	48.6 Å²	48.6	43%	0.434	25%	0.25	S	C	.	.			trans	-75.2	160	-178.8	64.2	0	0	0	0	112.5	Q254 A255 G256	S252-Q254 PolarHBondContact O-N 3.35Å; S252-A255 PolarHBondContact O-N 3.27Å; S252-G256 PolarHBondContact O-N 3.06Å
253	N	95.4	Very high	98.1	Very high	40 Å²	40	43.8 Å²	43.8	21%	0.214	22%	0.219	C	C	.	.	H	α-helix	trans	-54.7	-50.8	176	-59.8	-17.9	0	0	0	112.3	A255 G256 E257 M274 G275 Y433	N253-A255 VanDerWaalsContact C-N 3.32Å; N253-A255 PolarHBondContact O-N 3.12Å; N253-G256 PolarHBondContact O-N 3.24Å; N253-G256 VanDerWaalsContact O-N 3.11Å; N253-E257 WeakPolarHBondContact O-CB 3.23Å; N253-E257 WeakPolarHBondContact O-CG 3.39Å; N253-E257 PolarHBondContact O-N 3.34Å; N253-M274 WeakPolarHBondContact OD1-CB 3.48Å; N253-G275 WeakPolarHBondContact OD1-CA 3.43Å; N253-G275 PolarHBondContact OD1-N 3.28Å; N253-Y433 VanDerWaalsContact ND2-CE1 3.33Å; N253-Y433 WeakPolarHBondContact ND2-CE1 3.26Å; N253-Y433 PolarHBondContact ND2-OH 3.44Å
254	Q	95.9	Very high	98	Very high	168 Å²	168	44.7 Å²	44.7	79%	0.785	22%	0.223	S	C	*	.	H	α-helix	trans	-57.7	-44.6	-175.6	-174.2	-177.4	14	0	0	112.1	S252 Y258	S252-Q254 PolarHBondContact O-N 3.35Å; Q254-Y258 VanDerWaalsContact O-CB 3.28Å; Q254-Y258 WeakPolarHBondContact O-CB 3.39Å; Q254-Y258 PolarHBondContact O-N 3.08Å
255	A	97.4	Very high	98	Very high	36 Å²	36	53.6 Å²	53.6	30%	0.298	26%	0.262	S	S	.	.	H	α-helix	trans	-72.6	-39.7	177.4	0	0	0	0	0	111.6	F249 S252 N253 Y258 I259	F249-A255 HydrophobicContact CE2-CB 4.04Å; F249-A255 HydrophobicContact CZ-CB 3.63Å; S252-A255 PolarHBondContact O-N 3.27Å; N253-A255 VanDerWaalsContact C-N 3.32Å; N253-A255 PolarHBondContact O-N 3.12Å; A255-Y258 PolarHBondContact O-N 2.88Å; A255-I259 WeakPolarHBondContact O-CB 3.2Å; A255-I259 WeakPolarHBondContact O-CD1 3.46Å; A255-I259 VanDerWaalsContact O-CG1 3.22Å; A255-I259 WeakPolarHBondContact O-CG1 3.44Å; A255-I259 PolarHBondContact O-N 2.84Å
256	G	97.6	Very high	98	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67	-41.6	-177.8	0	0	0	0	0	114.1	S252 N253 Y260 S272	S252-G256 PolarHBondContact O-N 3.06Å; N253-G256 PolarHBondContact O-N 3.24Å; N253-G256 VanDerWaalsContact O-N 3.11Å; G256-Y260 VanDerWaalsContact O-CB 3.23Å; G256-Y260 WeakPolarHBondContact O-CB 3.23Å; G256-Y260 PolarHBondContact O-N 3.44Å; G256-S272 VanDerWaalsContact C-OG 3.32Å; G256-S272 WeakPolarHBondContact CA-OG 3.3Å; G256-S272 PolarHBondContact O-OG 3.05Å
257	E	97.7	Very high	98	Very high	76 Å²	76	56 Å²	56	36%	0.355	30%	0.297	S	S	.	.	H	α-helix	trans	-65.2	-47.1	174.7	-68.7	-178.2	153.7	0	0	110.1	N253 I259 Y260 E261 M274 R482	N253-E257 WeakPolarHBondContact O-CB 3.23Å; N253-E257 WeakPolarHBondContact O-CG 3.39Å; N253-E257 PolarHBondContact O-N 3.34Å; E257-I259 PolarHBondContact O-N 2.88Å; E257-Y260 PolarHBondContact O-N 3.25Å; E257-E261 WeakPolarHBondContact O-CB 3.4Å; E257-E261 WeakPolarHBondContact O-CG 3.4Å; E257-E261 PolarHBondContact O-N 3.36Å; E257-M274 HydrophobicContact CG-CE 4Å; E257-M274 HydrophobicContact CG-SD 3.6Å; E257-M274 VanDerWaalsContact CG-SD 3.6Å; E257-R482 IonicContact OE1-NH2 3.27Å; E257-R482 PolarHBondContact OE1-NH2 3.3Å
258	Y	98.5	Very high	97.9	Very high	90 Å²	90	56.7 Å²	56.7	35%	0.353	30%	0.3	S	S	.	.	H	α-helix	trans	-56.8	-48	177	179.8	-101.4	0	0	0	113.3	N236 Q254 A255 R262	N236-Y258 VanDerWaalsContact OD1-CE1 3.32Å; N236-Y258 WeakPolarHBondContact OD1-CE1 3.08Å; N236-Y258 PolarHBondContact OD1-OH 2.6Å; Q254-Y258 VanDerWaalsContact O-CB 3.28Å; Q254-Y258 WeakPolarHBondContact O-CB 3.39Å; Q254-Y258 PolarHBondContact O-N 3.08Å; A255-Y258 PolarHBondContact O-N 2.88Å; Y258-R262 VanDerWaalsContact O-CB 3.24Å; Y258-R262 WeakPolarHBondContact O-CB 3.49Å; Y258-R262 PolarHBondContact O-N 3.28Å; Y258-R262 PolarHBondContact OH-NH1 2.88Å
259	I	98.7	Very high	97.9	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-67.6	-41	179.8	-71.2	162.9	0	0	0	110.7	I172 V235 I247 F249 A255 E257 G263 V270	I172-I259 HydrophobicContact CD1-CD1 3.79Å; I172-I259 HydrophobicContact CD1-CG1 4.4Å; I172-I259 HydrophobicContact CD1-CG2 4.49Å; I172-I259 HydrophobicContact CG2-CD1 4.49Å; V235-I259 HydrophobicContact CG1-CD1 3.7Å; V235-I259 HydrophobicContact CG1-CG1 3.55Å; I247-I259 HydrophobicContact CG2-CG2 3.76Å; F249-I259 HydrophobicContact CB-CD1 4.48Å; F249-I259 HydrophobicContact CB-CG2 4.22Å; F249-I259 HydrophobicContact CD2-CD1 3.19Å; F249-I259 HydrophobicContact CE2-CD1 3.42Å; F249-I259 VanDerWaalsContact CE2-CD1 3.42Å; F249-I259 HydrophobicContact CG-CD1 3.86Å; F249-I259 HydrophobicContact CZ-CD1 4.23Å; A255-I259 WeakPolarHBondContact O-CB 3.2Å; A255-I259 WeakPolarHBondContact O-CD1 3.46Å; A255-I259 VanDerWaalsContact O-CG1 3.22Å; A255-I259 WeakPolarHBondContact O-CG1 3.44Å; A255-I259 PolarHBondContact O-N 2.84Å; E257-I259 PolarHBondContact O-N 2.88Å; I259-G263 WeakPolarHBondContact O-CA 3.3Å; I259-G263 PolarHBondContact O-N 3.32Å; I259-V270 HydrophobicContact CG2-CG1 4.34Å
260	Y	98.7	Very high	97.9	Very high	73 Å²	73	60.7 Å²	60.7	29%	0.286	32%	0.315	S	S	.	.	H	α-helix	trans	-61.4	-49.7	177	-174.8	-96.7	0	0	0	111.6	G256 E257 S264 V270 R482	G256-Y260 VanDerWaalsContact O-CB 3.23Å; G256-Y260 WeakPolarHBondContact O-CB 3.23Å; G256-Y260 PolarHBondContact O-N 3.44Å; E257-Y260 PolarHBondContact O-N 3.25Å; Y260-S264 WeakPolarHBondContact O-CB 2.99Å; Y260-S264 PolarHBondContact O-N 3Å; Y260-S264 PolarHBondContact O-OG 3.45Å; Y260-V270 HydrophobicContact CD2-CB 3.8Å; Y260-V270 HydrophobicContact CD2-CG1 3.92Å; Y260-V270 HydrophobicContact CE2-CB 4.26Å; Y260-R482 HydrophobicContact CD1-CB 3.86Å; Y260-R482 HydrophobicContact CD1-CG 4.32Å; Y260-R482 HydrophobicContact CD2-CB 3.41Å; Y260-R482 VanDerWaalsContact CD2-CB 3.41Å; Y260-R482 HydrophobicContact CE1-CB 4.12Å; Y260-R482 VanDerWaalsContact CE2-C 3.47Å; Y260-R482 HydrophobicContact CE2-CB 3.72Å; Y260-R482 HydrophobicContact CG-CB 3.48Å; Y260-R482 VanDerWaalsContact CG-CB 3.48Å; Y260-R482 HydrophobicContact CG-CG 4.22Å
261	E	98.4	Very high	97.9	Very high	132 Å²	132	60.4 Å²	60.4	62%	0.617	31%	0.314	S	S	*	.	H	α-helix	trans	-63.9	-52.5	179.5	-71.7	176.2	179.6	0	0	111.8	E257 K265	E257-E261 WeakPolarHBondContact O-CB 3.4Å; E257-E261 WeakPolarHBondContact O-CG 3.4Å; E257-E261 PolarHBondContact O-N 3.36Å; E261-K265 WeakPolarHBondContact O-CB 3.28Å; E261-K265 PolarHBondContact O-N 2.96Å
262	R	98.6	Very high	97.9	Very high	78 Å²	78	59.4 Å²	59.4	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-67.5	-42.8	-176.7	-168.5	176.5	-176.4	136	7.5	111.9	N236 C239 D240 Y258 N266	N236-R262 PolarHBondContact OD1-NH1 3.22Å; C239-R262 HydrophobicContact CB-CB 4.24Å; C239-R262 HydrophobicContact CB-CG 3.87Å; D240-R262 IonicContact OD1-CZ 3.04Å; D240-R262 IonicContact OD1-NE 2.95Å; D240-R262 PolarHBondContact OD1-NE 2.9Å; D240-R262 IonicContact OD1-NH2 2.7Å; D240-R262 PolarHBondContact OD1-NH2 3.37Å; D240-R262 IonicContact OD2-CZ 3.54Å; D240-R262 VanDerWaalsContact OD2-CZ 3.27Å; D240-R262 IonicContact OD2-NE 2.78Å; D240-R262 PolarHBondContact OD2-NE 3.28Å; D240-R262 IonicContact OD2-NH2 3.47Å; D240-R262 PolarHBondContact OD2-NH2 3.29Å; Y258-R262 VanDerWaalsContact O-CB 3.24Å; Y258-R262 WeakPolarHBondContact O-CB 3.49Å; Y258-R262 PolarHBondContact O-N 3.28Å; Y258-R262 PolarHBondContact OH-NH1 2.88Å; R262-N266 PolarHBondContact O-N 2.93Å; R262-N266 PolarHBondContact O-ND2 3.49Å
263	G	98.6	Very high	98	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-47.8	177.5	0	0	0	0	0	112.1	I259 N266 K268	I259-G263 WeakPolarHBondContact O-CA 3.3Å; I259-G263 PolarHBondContact O-N 3.32Å; G263-N266 CarbonylContact O-C 3.57Å; G263-N266 PolarHBondContact O-N 3.34Å; G263-N266 VanDerWaalsContact O-N 3.13Å; G263-K268 WeakPolarHBondContact O-CB 3.16Å; G263-K268 PolarHBondContact O-N 3.32Å
264	S	98.4	Very high	98	Very high	44 Å²	44	54.6 Å²	54.6	31%	0.308	27%	0.273	S	S	.	.	H	α-helix	trans	-66.7	-38.1	179.8	-55.7	0	0	0	0	112.1	Y260 N266 G267	Y260-S264 WeakPolarHBondContact O-CB 2.99Å; Y260-S264 PolarHBondContact O-N 3Å; Y260-S264 PolarHBondContact O-OG 3.45Å; S264-N266 PolarHBondContact O-N 3.35Å; S264-G267 PolarHBondContact O-N 2.94Å
265	K	98.3	Very high	97.9	Very high	188 Å²	188	46.7 Å²	46.7	82%	0.817	24%	0.237	S	C	*	.	H	α-helix	trans	-58.2	-30.6	173.4	-176.9	177.9	178.8	-179.2	0	112.4	E261 G267	E261-K265 WeakPolarHBondContact O-CB 3.28Å; E261-K265 PolarHBondContact O-N 2.96Å; K265-G267 VanDerWaalsContact C-N 3.28Å; K265-G267 PolarHBondContact O-N 3.43Å
266	N	98.4	Very high	97.8	Very high	77 Å²	77	45.1 Å²	45.1	41%	0.412	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	15.8	174.7	-73.2	-64.1	0	0	0	113.5	C239 D240 R262 G263 S264 K268	C239-N266 PolarHBondContact O-ND2 3.24Å; D240-N266 PolarHBondContact OD1-ND2 3.39Å; R262-N266 PolarHBondContact O-N 2.93Å; R262-N266 PolarHBondContact O-ND2 3.49Å; G263-N266 CarbonylContact O-C 3.57Å; G263-N266 PolarHBondContact O-N 3.34Å; G263-N266 VanDerWaalsContact O-N 3.13Å; S264-N266 PolarHBondContact O-N 3.35Å; N266-K268 VanDerWaalsContact C-N 3.3Å; N266-K268 PolarHBondContact O-N 3.2Å
267	G	97.8	Very high	97.8	Very high	73 Å²	73	45.3 Å²	45.3	75%	0.753	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	13.8	175.1	0	0	0	0	0	115.2	S264 K265	S264-G267 PolarHBondContact O-N 2.94Å; K265-G267 VanDerWaalsContact C-N 3.28Å; K265-G267 PolarHBondContact O-N 3.43Å
268	K	98.5	Very high	97.9	Very high	16 Å²	16	42 Å²	42	7%	0.07	21%	0.209	C	C	.	.			trans	-86.6	149.2	179.9	-56.5	179.1	174	63	0	110.5	C239 D240 H241 I244 I247 G263 N266	C239-K268 WeakPolarHBondContact O-CE 3.15Å; C239-K268 PolarHBondContact O-NZ 3.42Å; D240-K268 PolarHBondContact O-NZ 3.36Å; H241-K268 WeakPolarHBondContact O-CE 3.37Å; H241-K268 PolarHBondContact O-NZ 2.91Å; I244-K268 HydrophobicContact CG2-CD 4.31Å; I244-K268 VanDerWaalsContact O-CE 3.22Å; I244-K268 WeakPolarHBondContact O-CE 3.32Å; I247-K268 HydrophobicContact CD1-CD 3.66Å; I247-K268 HydrophobicContact CG1-CD 4.13Å; G263-K268 WeakPolarHBondContact O-CB 3.16Å; G263-K268 PolarHBondContact O-N 3.32Å; N266-K268 VanDerWaalsContact C-N 3.3Å; N266-K268 PolarHBondContact O-N 3.2Å
269	R	98.3	Very high	97.9	Very high	83 Å²	83	37.9 Å²	37.9	31%	0.313	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131.9	166.2	-56.1	179.7	71.1	-179.7	1.9	108.6	K245 A246 I247 Q494 F495 T497	K245-R269 PolarHBondContact O-N 3.33Å; K245-R269 VanDerWaalsContact O-N 3.1Å; A246-R269 CarbonylContact C-O 3.57Å; A246-R269 VanDerWaalsContact CA-O 3.22Å; A246-R269 WeakPolarHBondContact CA-O 3.43Å; A246-R269 HydrophobicContact CB-CB 4.12Å; I247-R269 PolarHBondContact N-O 3.45Å; R269-Q494 PolarHBondContact NH1-O 2.93Å; R269-Q494 PolarHBondContact NH2-O 3.19Å; R269-F495 HydrophobicContact CB-CE2 3.91Å; R269-F495 HydrophobicContact CB-CZ 4.31Å; R269-F495 VanDerWaalsContact CZ-O 3.3Å; R269-F495 PolarHBondContact NH1-O 3.37Å; R269-T497 PolarHBondContact NH1-O 2.91Å
270	V	98.8	Very high	97.9	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.048	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.1	178.6	-168.5	0	0	0	0	110.7	I247 I259 Y260	I247-V270 HydrophobicContact CB-CG1 4.25Å; I247-V270 HydrophobicContact CB-CG2 4.31Å; I247-V270 HydrophobicContact CD1-CG2 4.49Å; I247-V270 WeakPolarHBondContact O-CA 3.38Å; I259-V270 HydrophobicContact CG2-CG1 4.34Å; Y260-V270 HydrophobicContact CD2-CB 3.8Å; Y260-V270 HydrophobicContact CD2-CG1 3.92Å; Y260-V270 HydrophobicContact CE2-CB 4.26Å
271	Q	98.5	Very high	97.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120	164.9	67.2	-175.4	11.7	0	0	107.6	I247 S248 F249 F481 T485 N486 F487 F495	I247-Q271 PolarHBondContact O-N 3.05Å; S248-Q271 PolarHBondContact OG-NE2 3.19Å; F249-Q271 PolarHBondContact N-O 3.41Å; Q271-F481 HydrophobicContact CB-CE2 4.08Å; Q271-F481 HydrophobicContact CB-CZ 4.01Å; Q271-T485 VanDerWaalsContact CB-O 3.28Å; Q271-T485 WeakPolarHBondContact CB-O 3.15Å; Q271-T485 PolarHBondContact OE1-O 3.12Å; Q271-N486 PolarHBondContact OE1-O 3.23Å; Q271-F487 HydrophobicContact CB-CZ 4.42Å; Q271-F487 HydrophobicContact CG-CD1 4.48Å; Q271-F487 HydrophobicContact CG-CE1 3.95Å; Q271-F487 HydrophobicContact CG-CZ 4.01Å; Q271-F495 HydrophobicContact CB-CD2 4.12Å; Q271-F495 HydrophobicContact CB-CE2 3.77Å; Q271-F495 HydrophobicContact CB-CZ 4.09Å; Q271-F495 HydrophobicContact CG-CD1 4.21Å; Q271-F495 HydrophobicContact CG-CD2 4.17Å; Q271-F495 HydrophobicContact CG-CE1 3.85Å; Q271-F495 HydrophobicContact CG-CE2 3.81Å; Q271-F495 HydrophobicContact CG-CG 4.36Å; Q271-F495 HydrophobicContact CG-CZ 3.65Å; Q271-F495 VanDerWaalsContact OE1-CG 3.24Å
272	S	98.3	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	104.4	-170.1	-174.7	0	0	0	0	109.8	F249 G256 F481 R482	F249-S272 VanDerWaalsContact CD1-OG 3.26Å; F249-S272 WeakPolarHBondContact CD1-OG 3.46Å; G256-S272 VanDerWaalsContact C-OG 3.32Å; G256-S272 WeakPolarHBondContact CA-OG 3.3Å; G256-S272 PolarHBondContact O-OG 3.05Å; S272-F481 CarbonylContact O-C 3.46Å; S272-F481 WeakPolarHBondContact O-CA 3.28Å; S272-F481 WeakPolarHBondContact O-CD2 3.24Å; S272-R482 PolarHBondContact N-O 3.37Å; S272-R482 PolarHBondContact O-N 3.41Å
273	N	97.9	Very high	97.9	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	130.1	172.2	-158.8	82.3	0	0	0	110	F249 V250 G251 F474 F487	F249-N273 PolarHBondContact O-N 3.05Å; V250-N273 WeakPolarHBondContact CA-O 3.43Å; V250-N273 HydrophobicContact CB-CB 4.3Å; V250-N273 HydrophobicContact CG1-CB 4.11Å; V250-N273 HydrophobicContact CG2-CB 3.93Å; G251-N273 PolarHBondContact N-O 2.96Å; N273-F474 WeakPolarHBondContact OD1-CE1 3.42Å; N273-F487 HydrophobicContact CB-CD2 4.48Å; N273-F487 HydrophobicContact CB-CE2 3.52Å; N273-F487 HydrophobicContact CB-CZ 3.67Å
274	M	95.6	Very high	97.9	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.155	C	C	.	.			trans	-118.6	-166.4	-172	-55.3	-167.3	-52.9	0	0	110.4	G251 N253 E257 G479 S480 R482	G251-M274 CarbonylContact O-C 3.47Å; G251-M274 WeakPolarHBondContact O-CA 3.33Å; N253-M274 WeakPolarHBondContact OD1-CB 3.48Å; E257-M274 HydrophobicContact CG-CE 4Å; E257-M274 HydrophobicContact CG-SD 3.6Å; E257-M274 VanDerWaalsContact CG-SD 3.6Å; M274-G479 WeakPolarHBondContact CE-O 3.35Å; M274-S480 PolarHBondContact N-O 3.46Å; M274-R482 HydrophobicContact CE-CG 3.64Å; M274-R482 HydrophobicContact SD-CG 4.02Å
275	G	92.9	Very high	97.9	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.021	16%	0.155	C	C	.	.			trans	-65.5	172.6	-176.7	0	0	0	0	0	113.8	N253 E407 Y433 S480	N253-G275 WeakPolarHBondContact OD1-CA 3.43Å; N253-G275 PolarHBondContact OD1-N 3.28Å; G275-E407 WeakPolarHBondContact CA-OE2 3.33Å; G275-Y433 VanDerWaalsContact O-CD1 3.24Å; G275-Y433 WeakPolarHBondContact O-CD1 3.39Å; G275-S480 WeakPolarHBondContact O-CB 3.49Å; G275-S480 PolarHBondContact O-OG 2.93Å
276	A	96.2	Very high	97.9	Very high	2 Å²	2	19.6 Å²	19.6	2%	0.017	12%	0.12	C	C	.	.			trans	-143.3	161.2	-175.6	0	0	0	0	0	113.1	C307 E407 N435	A276-C307 WeakPolarHBondContact CB-O 3.14Å; A276-E407 PolarHBondContact N-OE1 2.86Å; A276-E407 WeakPolarHBondContact O-CB 3.28Å; A276-E407 VanDerWaalsContact O-CG 3.28Å; A276-E407 WeakPolarHBondContact O-CG 3.32Å; A276-N435 HydrophobicContact CB-CB 3.56Å
277	K	97.2	Very high	97.9	Very high	4 Å²	4	20 Å²	20	2%	0.017	12%	0.122	C	C	.	.			trans	-143.3	86.1	164.1	-164.3	79.8	177.3	-163	0	107.4	H279 C403 Y404 E406 Y433	K277-H279 PolarHBondContact O-CE1 3.05Å; K277-H279 VanDerWaalsContact O-CE1 3.23Å; K277-H279 PolarHBondContact O-ND1 3.24Å; K277-C403 PolarHBondContact NZ-O 3.32Å; K277-Y404 WeakPolarHBondContact CD-O 3.4Å; K277-Y404 WeakPolarHBondContact CE-O 3.45Å; K277-Y404 PolarHBondContact NZ-O 3.29Å; K277-E406 PolarHBondContact NZ-O 2.9Å; K277-Y433 HydrophobicContact CB-CD2 3.55Å; K277-Y433 HydrophobicContact CB-CE2 4.21Å; K277-Y433 HydrophobicContact CB-CG 4.31Å
278	N	98.4	Very high	97.9	Very high	7 Å²	7	19.2 Å²	19.2	4%	0.037	10%	0.098	C	C	.	.			trans	-84.1	136.6	-172	-50.6	-53.7	0	0	0	110.9	C307 M308 A309 S311 T312 G436	N278-C307 PolarHBondContact ND2-O 2.99Å; N278-M308 VanDerWaalsContact ND2-C 3.32Å; N278-M308 VanDerWaalsContact ND2-CA 3.27Å; N278-M308 WeakPolarHBondContact ND2-CA 3.46Å; N278-A309 WeakPolarHBondContact CB-O 3.41Å; N278-A309 PolarHBondContact ND2-O 3.02Å; N278-S311 PolarHBondContact O-N 2.83Å; N278-T312 PolarHBondContact O-N 3Å; N278-T312 VanDerWaalsContact O-N 3.17Å; N278-G436 WeakPolarHBondContact CA-O 3.2Å; N278-G436 WeakPolarHBondContact CB-O 3.25Å; N278-G436 WeakPolarHBondContact OD1-CA 3.24Å; N278-G436 PolarHBondContact OD1-N 2.97Å; N278-G436 PolarHBondContact OD1-O 3.25Å
279	H	98.6	Very high	97.9	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.014	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	138	179.2	-57.4	71.8	0	0	0	111.5	K277 T312 I314 Y404 V428 T437 A438	K277-H279 PolarHBondContact O-CE1 3.05Å; K277-H279 VanDerWaalsContact O-CE1 3.23Å; K277-H279 PolarHBondContact O-ND1 3.24Å; H279-T312 CarbonylContact C-O 3.44Å; H279-T312 VanDerWaalsContact CA-O 3.25Å; H279-T312 WeakPolarHBondContact CA-O 3.41Å; H279-T312 WeakPolarHBondContact CD2-CG2 3.06Å; H279-I314 HydrophobicContact CB-CD1 4.24Å; H279-Y404 AromaticContact NE2-CE2 3.46Å; H279-Y404 WeakPolarHBondContact NE2-CE2 3.23Å; H279-Y404 AromaticContact NE2-CZ 3.55Å; H279-Y404 PolarHBondContact NE2-OH 2.91Å; H279-V428 HydrophobicContact CB-CG2 3.63Å; H279-T437 CarbonylContact O-C 3.5Å; H279-T437 VanDerWaalsContact O-CA 3.31Å; H279-T437 WeakPolarHBondContact O-CA 3.19Å; H279-T437 PolarHBondContact O-OG1 3.49Å; H279-A438 PolarHBondContact O-N 3.17Å
280	G	98.6	Very high	97.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111.4	165.5	0	0	0	0	0	110.6	T312 A313 I314 A438	G280-T312 PolarHBondContact N-O 3.08Å; G280-A313 WeakPolarHBondContact O-CA 3.21Å; G280-I314 PolarHBondContact O-N 3.4Å; G280-A438 CarbonylContact C-O 3.46Å; G280-A438 WeakPolarHBondContact CA-O 3.38Å
281	V	98.8	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	120	176.7	-179.4	0	0	0	0	109.5	M283 I314 V316 A424 V428 A438 I439 F440 Y450	V281-M283 HydrophobicContact CG1-SD 4.12Å; V281-I314 HydrophobicContact CG2-CB 4.37Å; V281-I314 HydrophobicContact CG2-CD1 4.22Å; V281-V316 HydrophobicContact CG1-CG2 3.83Å; V281-A424 HydrophobicContact CG1-CB 3.7Å; V281-A424 HydrophobicContact CG2-CB 4.13Å; V281-V428 HydrophobicContact CG2-CG2 4.16Å; V281-A438 PolarHBondContact N-O 3.43Å; V281-I439 HydrophobicContact CB-CG1 4.35Å; V281-I439 HydrophobicContact CG1-CG1 4.46Å; V281-I439 CarbonylContact O-C 3.49Å; V281-I439 WeakPolarHBondContact O-CA 3.32Å; V281-F440 WeakPolarHBondContact O-CD2 3.29Å; V281-F440 PolarHBondContact O-N 3.49Å; V281-Y450 HydrophobicContact CB-CE2 4.3Å; V281-Y450 HydrophobicContact CG2-CE2 3.77Å
282	V	98.9	Very high	97.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.7	-178.6	-175.6	0	0	0	0	109.4	A286 T291 L295 I314 L315 V316 A319 W322 F440	V282-A286 HydrophobicContact CG1-CB 4.41Å; V282-T291 HydrophobicContact CG1-CG2 3.91Å; V282-T291 HydrophobicContact CG2-CG2 3.94Å; V282-L295 HydrophobicContact CG2-CD1 3.94Å; V282-I314 PolarHBondContact N-O 3.35Å; V282-L315 HydrophobicContact CB-CD2 3.84Å; V282-L315 HydrophobicContact CG1-CD2 4.36Å; V282-L315 HydrophobicContact CG2-CD2 3.86Å; V282-V316 WeakPolarHBondContact O-CB 3.2Å; V282-V316 PolarHBondContact O-N 2.93Å; V282-A319 HydrophobicContact CB-CB 4.48Å; V282-A319 HydrophobicContact CG1-CB 3.97Å; V282-W322 HydrophobicContact CG1-CE3 3.82Å; V282-W322 HydrophobicContact CG1-CH2 4.34Å; V282-W322 HydrophobicContact CG1-CZ3 3.42Å; V282-W322 VanDerWaalsContact CG1-CZ3 3.42Å; V282-F440 HydrophobicContact CG2-CD2 3.9Å
283	M	98.8	Very high	97.8	Very high	19 Å²	19	26.5 Å²	26.5	9%	0.094	14%	0.143	C	C	.	.			trans	-85.7	152.6	175.6	-59.2	-58.1	-57.6	0	0	111.2	V281 D285 A286 V316 L421 I439 F440 T446	V281-M283 HydrophobicContact CG1-SD 4.12Å; M283-D285 WeakPolarHBondContact CB-OD1 3.41Å; M283-D285 PolarHBondContact O-N 2.87Å; M283-D285 VanDerWaalsContact O-N 3.16Å; M283-A286 WeakPolarHBondContact O-CB 2.96Å; M283-A286 PolarHBondContact O-N 3.37Å; M283-V316 HydrophobicContact CE-CB 4.4Å; M283-V316 HydrophobicContact CE-CG1 4.02Å; M283-V316 HydrophobicContact SD-CB 4.05Å; M283-V316 HydrophobicContact SD-CG1 4.2Å; M283-V316 HydrophobicContact SD-CG2 3.87Å; M283-L421 HydrophobicContact CE-CB 4.11Å; M283-L421 HydrophobicContact SD-CB 4.32Å; M283-L421 HydrophobicContact SD-CD1 3.97Å; M283-I439 HydrophobicContact CG-CD1 4.08Å; M283-I439 HydrophobicContact CG-CG1 4.2Å; M283-F440 VanDerWaalsContact CB-O 3.32Å; M283-F440 WeakPolarHBondContact CB-O 3.49Å; M283-F440 WeakPolarHBondContact CG-O 3.35Å; M283-F440 PolarHBondContact N-O 2.87Å; M283-T446 HydrophobicContact CE-CG2 4.33Å; M283-T446 HydrophobicContact CG-CG2 3.85Å; M283-T446 HydrophobicContact SD-CG2 4.3Å
284	P	98.3	Very high	97.8	Very high	50 Å²	50	29.1 Å²	29.1	33%	0.325	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.1	177.8	-27.4	35.3	0	0	0	114.7	A286 V316 E318	P284-A286 VanDerWaalsContact C-N 3.29Å; P284-V316 WeakPolarHBondContact CD-O 3.5Å; P284-V316 WeakPolarHBondContact CG-O 3.08Å; P284-E318 HydrophobicContact CB-CB 4.26Å; P284-E318 HydrophobicContact CG-CB 4.47Å
285	D	98.5	Very high	98	Very high	55 Å²	55	29.1 Å²	29.1	29%	0.294	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	2	-179	76.2	-49.2	0	0	0	113.3	M283 T441 T442 N443	M283-D285 WeakPolarHBondContact CB-OD1 3.41Å; M283-D285 PolarHBondContact O-N 2.87Å; M283-D285 VanDerWaalsContact O-N 3.16Å; D285-T441 VanDerWaalsContact CG-OG1 3.23Å; D285-T441 PolarHBondContact OD1-OG1 2.87Å; D285-T441 PolarHBondContact OD2-OG1 3.41Å; D285-T442 VanDerWaalsContact O-CG2 3.27Å; D285-T442 WeakPolarHBondContact O-CG2 3.34Å; D285-T442 PolarHBondContact O-OG1 3.16Å; D285-T442 PolarHBondContact OD2-N 3.17Å; D285-T442 PolarHBondContact OD2-OG1 2.84Å; D285-T442 VanDerWaalsContact OD2-OG1 3.13Å; D285-N443 VanDerWaalsContact OD2-CB 3.25Å; D285-N443 WeakPolarHBondContact OD2-CB 3.28Å; D285-N443 PolarHBondContact OD2-N 3.32Å
286	A	98.6	Very high	98.2	Very high	10 Å²	10	29.5 Å²	29.5	8%	0.083	16%	0.157	C	C	.	.	S	Bend	trans	-65.1	151.7	176.2	0	0	0	0	0	111.5	V282 M283 P284 K288 W322 F440	V282-A286 HydrophobicContact CG1-CB 4.41Å; M283-A286 WeakPolarHBondContact O-CB 2.96Å; M283-A286 PolarHBondContact O-N 3.37Å; P284-A286 VanDerWaalsContact C-N 3.29Å; A286-K288 PolarHBondContact O-N 2.95Å; A286-W322 HydrophobicContact CB-CH2 4.08Å; A286-W322 HydrophobicContact CB-CZ3 4.19Å; A286-F440 HydrophobicContact CB-CB 3.84Å; A286-F440 WeakPolarHBondContact CB-O 3.38Å
287	N	98.4	Very high	98.3	Very high	85 Å²	85	31.4 Å²	31.4	46%	0.455	18%	0.177	S	C	.	.			trans	-67.7	101.5	167.8	-176.6	-66.2	0	0	0	108.8	E289 T290 T291	N287-E289 PolarHBondContact O-N 3.32Å; N287-E289 PolarHBondContact OD1-N 2.94Å; N287-T290 PolarHBondContact O-N 2.78Å; N287-T290 VanDerWaalsContact OD1-CB 3.32Å; N287-T290 WeakPolarHBondContact OD1-CB 3.29Å; N287-T290 PolarHBondContact OD1-N 3.03Å; N287-T290 PolarHBondContact OD1-OG1 2.8Å; N287-T291 VanDerWaalsContact O-CB 3.26Å; N287-T291 WeakPolarHBondContact O-CB 3.35Å; N287-T291 PolarHBondContact O-N 2.94Å; N287-T291 PolarHBondContact O-OG1 2.75Å
288	K	98.3	Very high	98.3	Very high	57 Å²	57	31.3 Å²	31.3	25%	0.248	18%	0.176	C	C	.	.	H	α-helix	trans	-52.8	-53.1	-174.4	-178.7	178	-178.6	-175.3	0	112.9	A286 T290 T291 L292 W322 E325	A286-K288 PolarHBondContact O-N 2.95Å; K288-T290 PolarHBondContact O-N 3.35Å; K288-T291 PolarHBondContact O-N 3Å; K288-L292 HydrophobicContact CG-CD1 3.95Å; K288-L292 HydrophobicContact CG-CG 4.3Å; K288-L292 WeakPolarHBondContact O-CG 3.48Å; K288-L292 PolarHBondContact O-N 3.25Å; K288-W322 HydrophobicContact CB-CD2 4.29Å; K288-W322 HydrophobicContact CB-CE3 4.22Å; K288-W322 HydrophobicContact CB-CH2 3.95Å; K288-W322 HydrophobicContact CB-CZ2 4.02Å; K288-W322 HydrophobicContact CB-CZ3 4.05Å; K288-W322 HydrophobicContact CD-CD2 3.88Å; K288-W322 HydrophobicContact CD-CG 3.94Å; K288-W322 HydrophobicContact CD-CZ2 4.38Å; K288-W322 VanDerWaalsContact CE-CD1 3.49Å; K288-W322 HydrophobicContact CG-CD2 3.68Å; K288-W322 HydrophobicContact CG-CE3 3.84Å; K288-W322 HydrophobicContact CG-CG 4.1Å; K288-W322 HydrophobicContact CG-CH2 4.4Å; K288-W322 HydrophobicContact CG-CZ2 4.27Å; K288-W322 HydrophobicContact CG-CZ3 4.19Å; K288-E325 WeakPolarHBondContact CE-OE1 3.34Å; K288-E325 WeakPolarHBondContact CE-OE2 3.21Å; K288-E325 IonicContact NZ-OE1 3.19Å; K288-E325 PolarHBondContact NZ-OE1 3.18Å; K288-E325 IonicContact NZ-OE2 3.36Å; K288-E325 PolarHBondContact NZ-OE2 2.89Å
289	E	98	Very high	98.3	Very high	98 Å²	98	31 Å²	31	46%	0.458	18%	0.175	S	C	.	.	H	α-helix	trans	-57.5	-48.6	-176.8	-73.6	-55.5	125.9	0	0	112.8	N287 N293 R329	N287-E289 PolarHBondContact O-N 3.32Å; N287-E289 PolarHBondContact OD1-N 2.94Å; E289-N293 PolarHBondContact O-N 3.03Å; E289-N293 PolarHBondContact O-ND2 3.19Å; E289-R329 PolarHBondContact O-NH1 3.44Å; E289-R329 IonicContact OE1-NH2 3.01Å; E289-R329 PolarHBondContact OE1-NH2 3.12Å; E289-R329 IonicContact OE2-CZ 3.87Å; E289-R329 IonicContact OE2-NH1 3.01Å; E289-R329 PolarHBondContact OE2-NH1 3.21Å; E289-R329 IonicContact OE2-NH2 2.66Å; E289-R329 PolarHBondContact OE2-NH2 2.83Å
290	T	97.8	Very high	98.3	Very high	66 Å²	66	31 Å²	31	41%	0.405	18%	0.175	S	C	.	.	H	α-helix	trans	-67	-43	180	-56	0	0	0	0	110.6	N287 K288 N293 Q294	N287-T290 PolarHBondContact O-N 2.78Å; N287-T290 VanDerWaalsContact OD1-CB 3.32Å; N287-T290 WeakPolarHBondContact OD1-CB 3.29Å; N287-T290 PolarHBondContact OD1-N 3.03Å; N287-T290 PolarHBondContact OD1-OG1 2.8Å; K288-T290 PolarHBondContact O-N 3.35Å; T290-N293 PolarHBondContact O-N 3.34Å; T290-Q294 HydrophobicContact CG2-CG 4.35Å; T290-Q294 WeakPolarHBondContact O-CB 3.49Å; T290-Q294 VanDerWaalsContact O-CG 3.28Å; T290-Q294 WeakPolarHBondContact O-CG 3.47Å; T290-Q294 PolarHBondContact O-N 2.97Å
291	T	98.6	Very high	98.1	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-48.2	-177.7	-58.1	0	0	0	0	111.5	V282 N287 K288 N293 Q294 L295 F440	V282-T291 HydrophobicContact CG1-CG2 3.91Å; V282-T291 HydrophobicContact CG2-CG2 3.94Å; N287-T291 VanDerWaalsContact O-CB 3.26Å; N287-T291 WeakPolarHBondContact O-CB 3.35Å; N287-T291 PolarHBondContact O-N 2.94Å; N287-T291 PolarHBondContact O-OG1 2.75Å; K288-T291 PolarHBondContact O-N 3Å; T291-N293 PolarHBondContact O-N 3.05Å; T291-Q294 PolarHBondContact O-N 3.38Å; T291-L295 HydrophobicContact CG2-CD1 4.05Å; T291-L295 HydrophobicContact CG2-CG 4.31Å; T291-L295 VanDerWaalsContact O-CG 3.32Å; T291-L295 WeakPolarHBondContact O-CG 3.4Å; T291-L295 PolarHBondContact O-N 3.27Å; T291-F440 HydrophobicContact CG2-CB 3.77Å; T291-F440 HydrophobicContact CG2-CD1 3.87Å; T291-F440 HydrophobicContact CG2-CD2 3.85Å; T291-F440 HydrophobicContact CG2-CE1 4.47Å; T291-F440 HydrophobicContact CG2-CE2 4.44Å; T291-F440 HydrophobicContact CG2-CG 3.53Å
292	L	98.4	Very high	98	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-42.9	179.9	-67.4	-177.1	0	0	0	111.9	K288 Q294 L295 V296 W322 E325 L326	K288-L292 HydrophobicContact CG-CD1 3.95Å; K288-L292 HydrophobicContact CG-CG 4.3Å; K288-L292 WeakPolarHBondContact O-CG 3.48Å; K288-L292 PolarHBondContact O-N 3.25Å; L292-Q294 PolarHBondContact O-N 3.06Å; L292-L295 PolarHBondContact O-N 3.17Å; L292-V296 WeakPolarHBondContact O-CG2 3.09Å; L292-V296 PolarHBondContact O-N 2.75Å; L292-V296 VanDerWaalsContact O-N 3.14Å; L292-W322 HydrophobicContact CD2-CB 4.24Å; L292-E325 HydrophobicContact CD1-CB 3.81Å; L292-L326 HydrophobicContact CD2-CB 3.88Å; L292-L326 HydrophobicContact CD2-CD1 4.12Å; L292-L326 HydrophobicContact CD2-CG 4.45Å
293	N	98	Very high	97.9	Very high	93 Å²	93	31.7 Å²	31.7	50%	0.497	18%	0.182	S	C	.	.	H	α-helix	trans	-61.8	-42.9	174.9	-75.5	-24.9	0	0	0	112.4	E289 T290 T291 V296 G297 R329	E289-N293 PolarHBondContact O-N 3.03Å; E289-N293 PolarHBondContact O-ND2 3.19Å; T290-N293 PolarHBondContact O-N 3.34Å; T291-N293 PolarHBondContact O-N 3.05Å; N293-V296 PolarHBondContact O-N 3.4Å; N293-G297 PolarHBondContact O-N 3.12Å; N293-G297 VanDerWaalsContact O-N 3.09Å; N293-R329 PolarHBondContact ND2-NH1 3.1Å; N293-R329 PolarHBondContact OD1-NH1 2.76Å
294	Q	98	Very high	97.8	Very high	56 Å²	56	31 Å²	31	26%	0.262	18%	0.179	S	C	.	.	H	α-helix	trans	-66.4	-39.8	179.1	-78.9	-178.2	-6.8	0	0	112.6	T290 T291 L292 G297 A298 F440 N462 P464	T290-Q294 HydrophobicContact CG2-CG 4.35Å; T290-Q294 WeakPolarHBondContact O-CB 3.49Å; T290-Q294 VanDerWaalsContact O-CG 3.28Å; T290-Q294 WeakPolarHBondContact O-CG 3.47Å; T290-Q294 PolarHBondContact O-N 2.97Å; T291-Q294 PolarHBondContact O-N 3.38Å; L292-Q294 PolarHBondContact O-N 3.06Å; Q294-G297 PolarHBondContact O-N 3.2Å; Q294-A298 VanDerWaalsContact O-CB 3.23Å; Q294-A298 WeakPolarHBondContact O-CB 3.46Å; Q294-A298 PolarHBondContact O-N 2.91Å; Q294-F440 HydrophobicContact CB-CE1 4.36Å; Q294-F440 VanDerWaalsContact OE1-CE1 3.23Å; Q294-N462 PolarHBondContact NE2-O 2.73Å; Q294-N462 PolarHBondContact OE1-O 3.36Å; Q294-P464 HydrophobicContact CB-CB 4.46Å; Q294-P464 HydrophobicContact CB-CG 3.92Å; Q294-P464 HydrophobicContact CG-CG 4.33Å
295	L	98.4	Very high	97.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-45.7	175.3	-72.5	172.9	0	0	0	111.4	V282 T291 L292 A298 A299 L310 A313 L326 F440	V282-L295 HydrophobicContact CG2-CD1 3.94Å; T291-L295 HydrophobicContact CG2-CD1 4.05Å; T291-L295 HydrophobicContact CG2-CG 4.31Å; T291-L295 VanDerWaalsContact O-CG 3.32Å; T291-L295 WeakPolarHBondContact O-CG 3.4Å; T291-L295 PolarHBondContact O-N 3.27Å; L292-L295 PolarHBondContact O-N 3.17Å; L295-A298 PolarHBondContact O-N 2.77Å; L295-A299 VanDerWaalsContact O-CB 3.27Å; L295-A299 WeakPolarHBondContact O-CB 3.33Å; L295-A299 PolarHBondContact O-N 2.94Å; L295-L310 HydrophobicContact CD2-CD1 3.88Å; L295-L310 HydrophobicContact CD2-CD2 3.89Å; L295-A313 HydrophobicContact CD2-CB 4.46Å; L295-L326 HydrophobicContact CB-CD1 4.03Å; L295-L326 HydrophobicContact CD1-CD1 4.44Å; L295-L326 HydrophobicContact CD1-CD2 4.38Å; L295-F440 HydrophobicContact CD2-CE2 3.89Å; L295-F440 HydrophobicContact CD2-CZ 4.26Å
296	V	98.2	Very high	97.7	Very high	11 Å²	11	28 Å²	28	7%	0.067	16%	0.157	C	C	.	.	H	α-helix	trans	-59.5	-51.2	177.6	172.2	0	0	0	0	110.8	L292 N293 A298 A299 F300 L326 R329 L333	L292-V296 WeakPolarHBondContact O-CG2 3.09Å; L292-V296 PolarHBondContact O-N 2.75Å; L292-V296 VanDerWaalsContact O-N 3.14Å; N293-V296 PolarHBondContact O-N 3.4Å; V296-A298 VanDerWaalsContact C-N 3.29Å; V296-A298 PolarHBondContact O-N 3.15Å; V296-A299 PolarHBondContact O-N 3.3Å; V296-F300 HydrophobicContact CB-CD2 4.41Å; V296-F300 HydrophobicContact CG1-CD2 3.99Å; V296-F300 VanDerWaalsContact O-CD2 3.22Å; V296-F300 WeakPolarHBondContact O-CD2 3.28Å; V296-F300 PolarHBondContact O-N 3.13Å; V296-L326 HydrophobicContact CG2-CD1 3.72Å; V296-R329 HydrophobicContact CG2-CB 3.84Å; V296-L333 HydrophobicContact CG1-CD1 3.72Å; V296-L333 HydrophobicContact CG1-CD2 3.82Å; V296-L333 HydrophobicContact CG1-CG 4Å
297	G	97.2	Very high	97.5	Very high	42 Å²	42	28.1 Å²	28.1	43%	0.433	16%	0.158	S	C	.	.	H	α-helix	trans	-61	-38.2	179.1	0	0	0	0	0	113	N293 Q294 G301	N293-G297 PolarHBondContact O-N 3.12Å; N293-G297 VanDerWaalsContact O-N 3.09Å; Q294-G297 PolarHBondContact O-N 3.2Å; G297-G301 WeakPolarHBondContact O-CA 3.36Å; G297-G301 PolarHBondContact O-N 3.36Å; G297-G301 VanDerWaalsContact O-N 3.07Å
298	A	97.6	Very high	97.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-79.7	-27.4	-177.2	0	0	0	0	0	114.8	Q294 L295 V296 A309 L310 P464 I465	Q294-A298 VanDerWaalsContact O-CB 3.23Å; Q294-A298 WeakPolarHBondContact O-CB 3.46Å; Q294-A298 PolarHBondContact O-N 2.91Å; L295-A298 PolarHBondContact O-N 2.77Å; V296-A298 VanDerWaalsContact C-N 3.29Å; V296-A298 PolarHBondContact O-N 3.15Å; A298-A309 WeakPolarHBondContact O-CA 3.28Å; A298-L310 HydrophobicContact CB-CB 3.71Å; A298-L310 HydrophobicContact CB-CD1 4.45Å; A298-L310 PolarHBondContact O-N 3.32Å; A298-P464 HydrophobicContact CB-CB 3.5Å; A298-P464 HydrophobicContact CB-CG 3.94Å; A298-I465 HydrophobicContact CB-CD1 4.01Å; A298-I465 HydrophobicContact CB-CG1 3.85Å
299	A	98.1	Very high	97.5	Very high	2 Å²	2	22.1 Å²	22.1	2%	0.017	13%	0.129	C	C	.	.	H	α-helix	trans	-82	-42.2	176.6	0	0	0	0	0	112.2	L295 V296 G304 L413	L295-A299 VanDerWaalsContact O-CB 3.27Å; L295-A299 WeakPolarHBondContact O-CB 3.33Å; L295-A299 PolarHBondContact O-N 2.94Å; V296-A299 PolarHBondContact O-N 3.3Å; A299-G304 WeakPolarHBondContact O-CA 3.19Å; A299-L413 HydrophobicContact CB-CB 4.05Å; A299-L413 HydrophobicContact CB-CD1 4.12Å; A299-L413 HydrophobicContact CB-CD2 4.38Å; A299-L413 HydrophobicContact CB-CG 4.42Å
300	F	98.3	Very high	97.4	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.009	11%	0.108	C	C	.	.	H	α-helix	trans	-107.3	-15.9	-167.8	-52.7	-64.2	0	0	0	114.4	V296 A303 G304 A330 L333 V345 P391 I393 P411 L413	V296-F300 HydrophobicContact CB-CD2 4.41Å; V296-F300 HydrophobicContact CG1-CD2 3.99Å; V296-F300 VanDerWaalsContact O-CD2 3.22Å; V296-F300 WeakPolarHBondContact O-CD2 3.28Å; V296-F300 PolarHBondContact O-N 3.13Å; F300-A303 VanDerWaalsContact O-CA 3.27Å; F300-A303 WeakPolarHBondContact O-CA 3.42Å; F300-A303 PolarHBondContact O-N 3.12Å; F300-G304 PolarHBondContact O-N 3.2Å; F300-A330 HydrophobicContact CD2-CB 4.39Å; F300-A330 HydrophobicContact CE2-CB 3.62Å; F300-A330 HydrophobicContact CZ-CB 4.04Å; F300-L333 HydrophobicContact CB-CD1 3.62Å; F300-L333 HydrophobicContact CD2-CD1 3.63Å; F300-L333 HydrophobicContact CG-CD1 3.8Å; F300-V345 HydrophobicContact CB-CG2 4.15Å; F300-P391 HydrophobicContact CD1-CB 3.82Å; F300-P391 HydrophobicContact CD2-CB 4.47Å; F300-P391 HydrophobicContact CE1-CB 3.79Å; F300-P391 HydrophobicContact CE2-CB 4.45Å; F300-P391 HydrophobicContact CG-CB 4.17Å; F300-P391 HydrophobicContact CZ-CB 4.12Å; F300-I393 HydrophobicContact CZ-CD1 4.37Å; F300-I393 HydrophobicContact CZ-CG1 3.95Å; F300-P411 HydrophobicContact CD1-CB 3.9Å; F300-P411 WeakPolarHBondContact CD1-O 3.36Å; F300-P411 VanDerWaalsContact CE1-O 3.31Å; F300-P411 WeakPolarHBondContact CE1-O 3.47Å; F300-L413 HydrophobicContact CE1-CB 4.33Å; F300-L413 HydrophobicContact CZ-CB 3.9Å
301	G	95.7	Very high	97.4	Very high	11 Å²	11	15.2 Å²	15.2	11%	0.113	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-56.9	141.3	176.1	0	0	0	0	0	112.6	G297 A303 G304 R306	G297-G301 WeakPolarHBondContact O-CA 3.36Å; G297-G301 PolarHBondContact O-N 3.36Å; G297-G301 VanDerWaalsContact O-N 3.07Å; G301-A303 PolarHBondContact O-N 2.95Å; G301-G304 PolarHBondContact O-N 3.18Å; G301-R306 VanDerWaalsContact C-NH2 3.34Å; G301-R306 PolarHBondContact O-NE 3.09Å
302	A	95.3	Very high	97.4	Very high	3 Å²	3	15.1 Å²	15.1	3%	0.025	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	47.8	34.7	-167.6	0	0	0	0	0	114	K119 D123 G304 Q305 R306	K119-A302 HydrophobicContact CB-CB 4.24Å; D123-A302 VanDerWaalsContact OD2-CA 3.3Å; D123-A302 WeakPolarHBondContact OD2-CA 3.48Å; D123-A302 PolarHBondContact OD2-N 3.43Å; A302-G304 PolarHBondContact O-N 3.25Å; A302-Q305 PolarHBondContact O-N 2.77Å; A302-Q305 VanDerWaalsContact O-N 3.17Å; A302-R306 HydrophobicContact CB-CG 4.19Å; A302-R306 VanDerWaalsContact CB-NE 3.34Å
303	A	97.2	Very high	97.4	Very high	1 Å²	1	15 Å²	15	1%	0.008	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	54.2	33.7	-174.2	0	0	0	0	0	113.5	F300 G301 Q305 V345 G346 L348 G410 P411	F300-A303 VanDerWaalsContact O-CA 3.27Å; F300-A303 WeakPolarHBondContact O-CA 3.42Å; F300-A303 PolarHBondContact O-N 3.12Å; G301-A303 PolarHBondContact O-N 2.95Å; A303-Q305 PolarHBondContact O-N 3.49Å; A303-Q305 VanDerWaalsContact O-N 3.1Å; A303-V345 HydrophobicContact CB-CG1 3.91Å; A303-G346 WeakPolarHBondContact CB-O 3.38Å; A303-L348 HydrophobicContact CB-CD2 4.2Å; A303-G410 CarbonylContact O-C 3.59Å; A303-G410 VanDerWaalsContact O-CA 3.23Å; A303-G410 WeakPolarHBondContact O-CA 3.22Å; A303-P411 HydrophobicContact CB-CG 4.49Å; A303-P411 VanDerWaalsContact O-CD 3.22Å; A303-P411 WeakPolarHBondContact O-CD 3.22Å; A303-P411 VanDerWaalsContact O-N 3.08Å
304	G	96.4	Very high	97.4	Very high	3 Å²	3	10.6 Å²	10.6	3%	0.031	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	67.4	7	179.9	0	0	0	0	0	115.1	A299 F300 G301 A302 R306	A299-G304 WeakPolarHBondContact O-CA 3.19Å; F300-G304 PolarHBondContact O-N 3.2Å; G301-G304 PolarHBondContact O-N 3.18Å; A302-G304 PolarHBondContact O-N 3.25Å; G304-R306 PolarHBondContact O-N 3.28Å
305	Q	98.1	Very high	97.5	Very high	2 Å²	2	8 Å²	8	1%	0.009	6%	0.058	C	C	.	.			trans	-79.2	52	178.7	-63.8	174.8	109.6	0	0	111.5	F175 N176 A302 A303 P347 L348 F409	F175-Q305 HydrophobicContact CE2-CB 4.46Å; N176-Q305 VanDerWaalsContact CB-O 3.25Å; N176-Q305 WeakPolarHBondContact CB-O 3.36Å; N176-Q305 PolarHBondContact ND2-O 2.97Å; N176-Q305 VanDerWaalsContact ND2-O 3.14Å; A302-Q305 PolarHBondContact O-N 2.77Å; A302-Q305 VanDerWaalsContact O-N 3.17Å; A303-Q305 PolarHBondContact O-N 3.49Å; A303-Q305 VanDerWaalsContact O-N 3.1Å; Q305-P347 PolarHBondContact NE2-O 3Å; Q305-L348 HydrophobicContact CG-CD2 3.69Å; Q305-F409 VanDerWaalsContact C-CZ 3.43Å; Q305-F409 HydrophobicContact CB-CD1 3.89Å; Q305-F409 HydrophobicContact CB-CE1 3.67Å; Q305-F409 HydrophobicContact CB-CZ 4.4Å; Q305-F409 HydrophobicContact CG-CD1 4.03Å; Q305-F409 HydrophobicContact CG-CE1 4.27Å; Q305-F409 WeakPolarHBondContact CG-O 3.29Å; Q305-F409 WeakPolarHBondContact O-CZ 3.43Å
306	R	97	Very high	97.5	Very high	40 Å²	40	8.3 Å²	8.3	15%	0.151	6%	0.059	C	C	.	.			trans	-130.9	133.2	-179.4	-50.1	179	179.8	-176.3	-1.9	109.2	D123 F177 G301 A302 G304 M308 A309	D123-R306 IonicContact OD1-CZ 3.15Å; D123-R306 IonicContact OD1-NH2 3.95Å; D123-R306 PolarHBondContact OD1-NH2 3.19Å; D123-R306 IonicContact OD2-NH2 3.92Å; D123-R306 PolarHBondContact OD2-NH2 2.71Å; F177-R306 HydrophobicContact CE2-CB 4.25Å; F177-R306 HydrophobicContact CE2-CG 4.23Å; F177-R306 HydrophobicContact CZ-CB 4.26Å; F177-R306 HydrophobicContact CZ-CG 3.83Å; G301-R306 VanDerWaalsContact C-NH2 3.34Å; G301-R306 PolarHBondContact O-NE 3.09Å; A302-R306 HydrophobicContact CB-CG 4.19Å; A302-R306 VanDerWaalsContact CB-NE 3.34Å; G304-R306 PolarHBondContact O-N 3.28Å; R306-M308 PolarHBondContact O-N 2.93Å; R306-M308 VanDerWaalsContact O-N 3.14Å; R306-A309 HydrophobicContact CB-CB 4Å; R306-A309 VanDerWaalsContact O-CB 3.24Å; R306-A309 WeakPolarHBondContact O-CB 3.43Å; R306-A309 PolarHBondContact O-N 3.22Å
307	C	95.5	Very high	97.4	Very high	14 Å²	14	9.1 Å²	9.1	10%	0.095	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19	170.1	60.9	0	0	0	0	112.3	A276 N278 N435	A276-C307 WeakPolarHBondContact CB-O 3.14Å; N278-C307 PolarHBondContact ND2-O 2.99Å; C307-N435 PolarHBondContact O-ND2 3.48Å
308	M	97.4	Very high	97.4	Very high	8 Å²	8	14.5 Å²	14.5	4%	0.039	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	10.9	174.1	-67.1	-66.4	-67.4	0	0	113.1	N278 R306 L310 N435 Q458 I465 P466 V467 F474	N278-M308 VanDerWaalsContact ND2-C 3.32Å; N278-M308 VanDerWaalsContact ND2-CA 3.27Å; N278-M308 WeakPolarHBondContact ND2-CA 3.46Å; R306-M308 PolarHBondContact O-N 2.93Å; R306-M308 VanDerWaalsContact O-N 3.14Å; M308-L310 PolarHBondContact O-N 2.75Å; M308-N435 PolarHBondContact SD-ND2 3.25Å; M308-N435 VanDerWaalsContact SD-ND2 3.45Å; M308-Q458 HydrophobicContact CE-CB 4.37Å; M308-I465 HydrophobicContact CB-CG2 4.04Å; M308-P466 HydrophobicContact CE-CG 3.91Å; M308-V467 HydrophobicContact CB-CG2 4.15Å; M308-V467 HydrophobicContact CE-CG2 4.2Å; M308-V467 HydrophobicContact CG-CG2 3.82Å; M308-F474 HydrophobicContact CG-CE2 3.82Å; M308-F474 HydrophobicContact CG-CZ 3.92Å; M308-F474 HydrophobicContact SD-CE2 4.02Å; M308-F474 HydrophobicContact SD-CZ 3.83Å
309	A	97.5	Very high	97.4	Very high	7 Å²	7	14.5 Å²	14.5	6%	0.058	8%	0.083	C	C	.	.			trans	-60.2	136.8	171.9	0	0	0	0	0	108.9	N278 A298 R306 S311	N278-A309 WeakPolarHBondContact CB-O 3.41Å; N278-A309 PolarHBondContact ND2-O 3.02Å; A298-A309 WeakPolarHBondContact O-CA 3.28Å; R306-A309 HydrophobicContact CB-CB 4Å; R306-A309 VanDerWaalsContact O-CB 3.24Å; R306-A309 WeakPolarHBondContact O-CB 3.43Å; R306-A309 PolarHBondContact O-N 3.22Å; A309-S311 VanDerWaalsContact C-N 3.26Å; A309-S311 PolarHBondContact O-N 3.33Å
310	L	97	Very high	97.4	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	9%	0.093	C	C	.	.			trans	-83	81.6	174.9	-159.9	165.8	0	0	0	107.1	L295 A298 M308 T312 L413 A438 F440 P464	L295-L310 HydrophobicContact CD2-CD1 3.88Å; L295-L310 HydrophobicContact CD2-CD2 3.89Å; A298-L310 HydrophobicContact CB-CB 3.71Å; A298-L310 HydrophobicContact CB-CD1 4.45Å; A298-L310 PolarHBondContact O-N 3.32Å; M308-L310 PolarHBondContact O-N 2.75Å; L310-T312 WeakPolarHBondContact CD2-O 3.4Å; L310-T312 PolarHBondContact O-N 3.48Å; L310-L413 HydrophobicContact CD2-CD1 4.48Å; L310-L413 WeakPolarHBondContact O-CD1 3.48Å; L310-A438 HydrophobicContact CD1-CB 4.38Å; L310-F440 HydrophobicContact CD1-CE2 4.26Å; L310-F440 HydrophobicContact CD1-CZ 4.21Å; L310-P464 HydrophobicContact CD1-CB 3.74Å
311	S	97.4	Very high	97.3	Very high	18 Å²	18	20.9 Å²	20.9	13%	0.126	12%	0.12	C	C	.	.			trans	-74.9	-13.8	-174.7	59.7	0	0	0	0	113.5	N278 A309 V414	N278-S311 PolarHBondContact O-N 2.83Å; A309-S311 VanDerWaalsContact C-N 3.26Å; A309-S311 PolarHBondContact O-N 3.33Å; S311-V414 PolarHBondContact O-N 2.93Å
312	T	98.6	Very high	97.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	119.5	-172.7	-50.2	0	0	0	0	111.8	N278 H279 G280 L310 Y404 V414 L416	N278-T312 PolarHBondContact O-N 3Å; N278-T312 VanDerWaalsContact O-N 3.17Å; H279-T312 CarbonylContact C-O 3.44Å; H279-T312 VanDerWaalsContact CA-O 3.25Å; H279-T312 WeakPolarHBondContact CA-O 3.41Å; H279-T312 WeakPolarHBondContact CD2-CG2 3.06Å; G280-T312 PolarHBondContact N-O 3.08Å; L310-T312 WeakPolarHBondContact CD2-O 3.4Å; L310-T312 PolarHBondContact O-N 3.48Å; T312-Y404 HydrophobicContact CG2-CD2 4.45Å; T312-Y404 HydrophobicContact CG2-CE2 4.09Å; T312-V414 CarbonylContact C-O 3.53Å; T312-V414 VanDerWaalsContact CA-O 3.24Å; T312-V414 WeakPolarHBondContact CA-O 3.49Å; T312-V414 HydrophobicContact CG2-CG1 4.38Å; T312-L416 HydrophobicContact CG2-CD1 3.12Å
313	A	98.6	Very high	97.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.8	169.1	0	0	0	0	0	110.3	G280 L295 L413 V414 V415 L416	G280-A313 WeakPolarHBondContact O-CA 3.21Å; L295-A313 HydrophobicContact CD2-CB 4.46Å; A313-L413 HydrophobicContact CB-CD1 4.14Å; A313-L413 HydrophobicContact CB-CD2 4.46Å; A313-V414 PolarHBondContact N-O 3.34Å; A313-V415 WeakPolarHBondContact O-CA 3.44Å; A313-L416 PolarHBondContact O-N 2.87Å
314	I	98.8	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.7	171.1	-53.4	-178.4	0	0	0	107.8	H279 G280 V281 V282 L416 A418 A424 L427 V428	H279-I314 HydrophobicContact CB-CD1 4.24Å; G280-I314 PolarHBondContact O-N 3.4Å; V281-I314 HydrophobicContact CG2-CB 4.37Å; V281-I314 HydrophobicContact CG2-CD1 4.22Å; V282-I314 PolarHBondContact N-O 3.35Å; I314-L416 WeakPolarHBondContact CA-O 3.34Å; I314-L416 HydrophobicContact CG1-CB 4.45Å; I314-A418 HydrophobicContact CG2-CB 3.66Å; I314-A424 HydrophobicContact CG2-CB 3.98Å; I314-L427 HydrophobicContact CD1-CB 3.9Å; I314-L427 HydrophobicContact CD1-CD1 4.18Å; I314-L427 HydrophobicContact CG2-CD1 4.22Å; I314-V428 HydrophobicContact CD1-CG2 3.83Å
315	L	98.7	Very high	97.7	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	119.5	179	-55.5	-177.9	0	0	0	109.9	V282 A319 R320 L323 V415 L416 E417 A418	V282-L315 HydrophobicContact CB-CD2 3.84Å; V282-L315 HydrophobicContact CG1-CD2 4.36Å; V282-L315 HydrophobicContact CG2-CD2 3.86Å; L315-A319 HydrophobicContact CB-CB 4.5Å; L315-R320 HydrophobicContact CB-CG 4.01Å; L315-L323 HydrophobicContact CD1-CB 4.07Å; L315-V415 HydrophobicContact CD1-CG1 3.86Å; L315-V415 HydrophobicContact CG-CG1 4.03Å; L315-L416 PolarHBondContact N-O 2.97Å; L315-E417 WeakPolarHBondContact O-CA 3.37Å; L315-A418 PolarHBondContact O-N 3.2Å
316	V	98.7	Very high	97.7	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.03	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.3	-176.3	-173.8	0	0	0	0	110.7	V281 V282 M283 P284 E318 A319 A418 A424	V281-V316 HydrophobicContact CG1-CG2 3.83Å; V282-V316 WeakPolarHBondContact O-CB 3.2Å; V282-V316 PolarHBondContact O-N 2.93Å; M283-V316 HydrophobicContact CE-CB 4.4Å; M283-V316 HydrophobicContact CE-CG1 4.02Å; M283-V316 HydrophobicContact SD-CB 4.05Å; M283-V316 HydrophobicContact SD-CG1 4.2Å; M283-V316 HydrophobicContact SD-CG2 3.87Å; P284-V316 WeakPolarHBondContact CD-O 3.5Å; P284-V316 WeakPolarHBondContact CG-O 3.08Å; V316-E318 PolarHBondContact O-N 2.83Å; V316-A319 WeakPolarHBondContact O-CB 3.18Å; V316-A319 PolarHBondContact O-N 3.21Å; V316-A319 VanDerWaalsContact O-N 3.14Å; V316-A418 WeakPolarHBondContact CA-O 3.21Å; V316-A418 HydrophobicContact CG2-CB 4.35Å; V316-A424 HydrophobicContact CG2-CB 4.01Å
317	G	97	Very high	97.8	Very high	28 Å²	28	27.7 Å²	27.7	29%	0.289	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	51.5	-125.7	176	0	0	0	0	0	113.4	A319 R320 A418	G317-A319 PolarHBondContact O-N 3.43Å; G317-A319 VanDerWaalsContact O-N 3.12Å; G317-R320 WeakPolarHBondContact O-CB 3.26Å; G317-R320 WeakPolarHBondContact O-CD 3.45Å; G317-R320 WeakPolarHBondContact O-CG 3.39Å; G317-R320 PolarHBondContact O-N 2.8Å; G317-A418 PolarHBondContact N-O 3.15Å
318	E	96.7	Very high	98	Very high	156 Å²	156	31.5 Å²	31.5	73%	0.729	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-61.9	-20.5	-177.2	-62.1	-178.4	171.4	0	0	114.4	P284 V316 R320 S321	P284-E318 HydrophobicContact CB-CB 4.26Å; P284-E318 HydrophobicContact CG-CB 4.47Å; V316-E318 PolarHBondContact O-N 2.83Å; E318-R320 PolarHBondContact O-N 3.4Å; E318-R320 VanDerWaalsContact O-N 3.13Å; E318-S321 WeakPolarHBondContact O-CB 3.1Å; E318-S321 PolarHBondContact O-N 3.45Å; E318-S321 VanDerWaalsContact O-N 3.12Å; E318-S321 PolarHBondContact O-OG 3.43Å
319	A	97.6	Very high	98	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-62.6	-19.3	177.4	0	0	0	0	0	113	V282 L315 V316 G317 S321 W322	V282-A319 HydrophobicContact CB-CB 4.48Å; V282-A319 HydrophobicContact CG1-CB 3.97Å; L315-A319 HydrophobicContact CB-CB 4.5Å; V316-A319 WeakPolarHBondContact O-CB 3.18Å; V316-A319 PolarHBondContact O-N 3.21Å; V316-A319 VanDerWaalsContact O-N 3.14Å; G317-A319 PolarHBondContact O-N 3.43Å; G317-A319 VanDerWaalsContact O-N 3.12Å; A319-S321 PolarHBondContact O-N 3.12Å; A319-W322 HydrophobicContact CB-CD2 4.25Å; A319-W322 HydrophobicContact CB-CE3 4.23Å; A319-W322 HydrophobicContact CB-CH2 4.47Å; A319-W322 HydrophobicContact CB-CZ2 4.48Å; A319-W322 HydrophobicContact CB-CZ3 4.35Å; A319-W322 VanDerWaalsContact O-CB 3.31Å; A319-W322 WeakPolarHBondContact O-CB 3.41Å; A319-W322 PolarHBondContact O-N 3.35Å
320	R	97.3	Very high	98.1	Very high	57 Å²	57	33.2 Å²	33.2	22%	0.215	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-55.5	-34.1	173.5	-65.3	169.4	-168.3	-169.1	14.7	112.5	L315 G317 E318 W322 L323 E417 A418 E419	L315-R320 HydrophobicContact CB-CG 4.01Å; G317-R320 WeakPolarHBondContact O-CB 3.26Å; G317-R320 WeakPolarHBondContact O-CD 3.45Å; G317-R320 WeakPolarHBondContact O-CG 3.39Å; G317-R320 PolarHBondContact O-N 2.8Å; E318-R320 PolarHBondContact O-N 3.4Å; E318-R320 VanDerWaalsContact O-N 3.13Å; R320-W322 PolarHBondContact O-N 2.86Å; R320-W322 VanDerWaalsContact O-N 3.08Å; R320-L323 PolarHBondContact O-N 2.92Å; R320-E417 VanDerWaalsContact CD-OE2 3.3Å; R320-E417 WeakPolarHBondContact CD-OE2 3.25Å; R320-E417 HydrophobicContact CG-CB 4.3Å; R320-E417 HydrophobicContact CG-CG 3.97Å; R320-E417 IonicContact CZ-OE2 2.89Å; R320-E417 IonicContact NE-OE2 3.83Å; R320-E417 IonicContact NH1-OE2 3.91Å; R320-E417 PolarHBondContact NH1-OE2 2.82Å; R320-A418 PolarHBondContact NH2-O 2.91Å; R320-E419 IonicContact CZ-OE1 2.7Å; R320-E419 IonicContact NH1-OE1 2.6Å; R320-E419 PolarHBondContact NH1-OE1 2.82Å; R320-E419 IonicContact NH2-OE1 2.71Å; R320-E419 PolarHBondContact NH2-OE1 2.82Å; R320-E419 IonicContact NH2-OE2 3.09Å; R320-E419 PolarHBondContact NH2-OE2 3.01Å
321	S	97.8	Very high	98.1	Very high	82 Å²	82	38.6 Å²	38.6	57%	0.573	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-64.8	-11.3	178.4	67.3	0	0	0	0	114	E318 A319 P324	E318-S321 WeakPolarHBondContact O-CB 3.1Å; E318-S321 PolarHBondContact O-N 3.45Å; E318-S321 VanDerWaalsContact O-N 3.12Å; E318-S321 PolarHBondContact O-OG 3.43Å; A319-S321 PolarHBondContact O-N 3.12Å; S321-P324 WeakPolarHBondContact O-CD 3.38Å
322	W	98.1	Very high	98.1	Very high	22 Å²	22	41.2 Å²	41.2	8%	0.083	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-86.3	-8.8	-177.9	-54.2	-5.4	0	0	0	113.4	V282 A286 K288 L292 A319 R320 E325 L326	V282-W322 HydrophobicContact CG1-CE3 3.82Å; V282-W322 HydrophobicContact CG1-CH2 4.34Å; V282-W322 HydrophobicContact CG1-CZ3 3.42Å; V282-W322 VanDerWaalsContact CG1-CZ3 3.42Å; A286-W322 HydrophobicContact CB-CH2 4.08Å; A286-W322 HydrophobicContact CB-CZ3 4.19Å; K288-W322 HydrophobicContact CB-CD2 4.29Å; K288-W322 HydrophobicContact CB-CE3 4.22Å; K288-W322 HydrophobicContact CB-CH2 3.95Å; K288-W322 HydrophobicContact CB-CZ2 4.02Å; K288-W322 HydrophobicContact CB-CZ3 4.05Å; K288-W322 HydrophobicContact CD-CD2 3.88Å; K288-W322 HydrophobicContact CD-CG 3.94Å; K288-W322 HydrophobicContact CD-CZ2 4.38Å; K288-W322 VanDerWaalsContact CE-CD1 3.49Å; K288-W322 HydrophobicContact CG-CD2 3.68Å; K288-W322 HydrophobicContact CG-CE3 3.84Å; K288-W322 HydrophobicContact CG-CG 4.1Å; K288-W322 HydrophobicContact CG-CH2 4.4Å; K288-W322 HydrophobicContact CG-CZ2 4.27Å; K288-W322 HydrophobicContact CG-CZ3 4.19Å; L292-W322 HydrophobicContact CD2-CB 4.24Å; A319-W322 HydrophobicContact CB-CD2 4.25Å; A319-W322 HydrophobicContact CB-CE3 4.23Å; A319-W322 HydrophobicContact CB-CH2 4.47Å; A319-W322 HydrophobicContact CB-CZ2 4.48Å; A319-W322 HydrophobicContact CB-CZ3 4.35Å; A319-W322 VanDerWaalsContact O-CB 3.31Å; A319-W322 WeakPolarHBondContact O-CB 3.41Å; A319-W322 PolarHBondContact O-N 3.35Å; R320-W322 PolarHBondContact O-N 2.86Å; R320-W322 VanDerWaalsContact O-N 3.08Å; W322-E325 PolarHBondContact O-N 3.41Å; W322-L326 PolarHBondContact O-N 2.95Å; W322-L326 VanDerWaalsContact O-N 3.1Å
323	L	97.9	Very high	98.1	Very high	17 Å²	17	42.9 Å²	42.9	9%	0.089	24%	0.235	C	C	.	.	H	α-helix	trans	-56.3	-40.9	-176.3	-177	54.8	0	0	0	114.1	L315 R320 E325 L326 V327 L372 I393 C395 V415	L315-L323 HydrophobicContact CD1-CB 4.07Å; R320-L323 PolarHBondContact O-N 2.92Å; L323-E325 PolarHBondContact O-N 2.87Å; L323-L326 HydrophobicContact CD1-CD2 4.33Å; L323-L326 WeakPolarHBondContact O-CB 3.42Å; L323-L326 PolarHBondContact O-N 3.22Å; L323-V327 HydrophobicContact CD1-CG2 4.37Å; L323-V327 WeakPolarHBondContact O-CG2 3.33Å; L323-V327 PolarHBondContact O-N 3.08Å; L323-L372 HydrophobicContact CD1-CD1 3.95Å; L323-L372 HydrophobicContact CD2-CD1 3.45Å; L323-L372 VanDerWaalsContact CD2-CD1 3.45Å; L323-L372 HydrophobicContact CG-CD1 3.57Å; L323-I393 HydrophobicContact CD1-CG2 4.25Å; L323-C395 HydrophobicContact CD2-CB 3.96Å; L323-V415 HydrophobicContact CD1-CB 4.42Å; L323-V415 HydrophobicContact CD1-CG1 4.16Å; L323-V415 HydrophobicContact CD1-CG2 3.89Å; L323-V415 HydrophobicContact CD2-CG1 4.36Å
324	P	98.4	Very high	98.1	Very high	82 Å²	82	50.7 Å²	50.7	53%	0.532	26%	0.264	S	S	.	.	H	α-helix	trans	-59.3	-42.9	175.6	-25.5	36.3	0	0	0	113.4	S321 L326 V327 D328	S321-P324 WeakPolarHBondContact O-CD 3.38Å; P324-L326 VanDerWaalsContact C-N 3.35Å; P324-L326 PolarHBondContact O-N 3.02Å; P324-V327 WeakPolarHBondContact O-CB 3.36Å; P324-V327 PolarHBondContact O-N 3.31Å; P324-D328 PolarHBondContact O-N 3.01Å
325	E	98.3	Very high	98.1	Very high	72 Å²	72	52 Å²	52	34%	0.336	27%	0.272	S	S	.	.	H	α-helix	trans	-70.1	-32.3	179	-73.3	171.1	-120.9	0	0	112.4	K288 L292 W322 L323 V327 D328 R329	K288-E325 WeakPolarHBondContact CE-OE1 3.34Å; K288-E325 WeakPolarHBondContact CE-OE2 3.21Å; K288-E325 IonicContact NZ-OE1 3.19Å; K288-E325 PolarHBondContact NZ-OE1 3.18Å; K288-E325 IonicContact NZ-OE2 3.36Å; K288-E325 PolarHBondContact NZ-OE2 2.89Å; L292-E325 HydrophobicContact CD1-CB 3.81Å; W322-E325 PolarHBondContact O-N 3.41Å; L323-E325 PolarHBondContact O-N 2.87Å; E325-V327 VanDerWaalsContact C-N 3.31Å; E325-D328 PolarHBondContact O-N 2.98Å; E325-R329 WeakPolarHBondContact O-CG 3.35Å; E325-R329 PolarHBondContact O-N 3.1Å; E325-R329 VanDerWaalsContact O-N 3.1Å
326	L	98.4	Very high	98.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-44.1	170.6	-177.5	56.1	0	0	0	111	L292 L295 V296 W322 L323 P324 R329 A330 I393 L413	L292-L326 HydrophobicContact CD2-CB 3.88Å; L292-L326 HydrophobicContact CD2-CD1 4.12Å; L292-L326 HydrophobicContact CD2-CG 4.45Å; L295-L326 HydrophobicContact CB-CD1 4.03Å; L295-L326 HydrophobicContact CD1-CD1 4.44Å; L295-L326 HydrophobicContact CD1-CD2 4.38Å; V296-L326 HydrophobicContact CG2-CD1 3.72Å; W322-L326 PolarHBondContact O-N 2.95Å; W322-L326 VanDerWaalsContact O-N 3.1Å; L323-L326 HydrophobicContact CD1-CD2 4.33Å; L323-L326 WeakPolarHBondContact O-CB 3.42Å; L323-L326 PolarHBondContact O-N 3.22Å; P324-L326 VanDerWaalsContact C-N 3.35Å; P324-L326 PolarHBondContact O-N 3.02Å; L326-R329 PolarHBondContact O-N 3.39Å; L326-A330 PolarHBondContact O-N 3.36Å; L326-I393 HydrophobicContact CG-CD1 4.37Å; L326-L413 HydrophobicContact CD2-CD2 3.79Å; L326-L413 HydrophobicContact CG-CD2 4.43Å
327	V	98.7	Very high	98.1	Very high	9 Å²	9	54 Å²	54	6%	0.055	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-43.4	177.8	169	0	0	0	0	111.2	L323 P324 E325 R329 A330 K331 L372 L373 I393	L323-V327 HydrophobicContact CD1-CG2 4.37Å; L323-V327 WeakPolarHBondContact O-CG2 3.33Å; L323-V327 PolarHBondContact O-N 3.08Å; P324-V327 WeakPolarHBondContact O-CB 3.36Å; P324-V327 PolarHBondContact O-N 3.31Å; E325-V327 VanDerWaalsContact C-N 3.31Å; V327-R329 PolarHBondContact O-N 3.1Å; V327-A330 PolarHBondContact O-N 3.41Å; V327-K331 HydrophobicContact CG1-CD 4.13Å; V327-K331 VanDerWaalsContact CG1-CE 3.4Å; V327-K331 HydrophobicContact CG1-CG 4.47Å; V327-K331 WeakPolarHBondContact O-CG 3.49Å; V327-K331 PolarHBondContact O-N 3.29Å; V327-L372 HydrophobicContact CG2-CB 3.83Å; V327-L372 HydrophobicContact CG2-CD1 4.06Å; V327-L373 HydrophobicContact CG1-CB 4.34Å; V327-I393 HydrophobicContact CB-CD1 4.24Å; V327-I393 HydrophobicContact CG2-CB 4.35Å; V327-I393 HydrophobicContact CG2-CD1 3.7Å; V327-I393 HydrophobicContact CG2-CG2 4.15Å
328	D	98.6	Very high	98.1	Very high	94 Å²	94	52.8 Å²	52.8	50%	0.503	27%	0.271	S	S	.	.	H	α-helix	trans	-66.2	-36.6	179.7	-69.4	-20.7	0	0	0	112.7	P324 E325 K331 A332	P324-D328 PolarHBondContact O-N 3.01Å; E325-D328 PolarHBondContact O-N 2.98Å; D328-K331 PolarHBondContact O-N 2.87Å; D328-K331 IonicContact OD1-NZ 2.71Å; D328-K331 PolarHBondContact OD1-NZ 3.14Å; D328-A332 PolarHBondContact O-N 3.47Å
329	R	98.4	Very high	98	Very high	52 Å²	52	49.6 Å²	49.6	20%	0.196	26%	0.258	C	S	.	.	H	α-helix	trans	-67.4	-41.5	172.8	-68	176.9	-160.9	-129.5	-2.2	112.3	E289 N293 V296 E325 L326 V327 K331 A332	E289-R329 PolarHBondContact O-NH1 3.44Å; E289-R329 IonicContact OE1-NH2 3.01Å; E289-R329 PolarHBondContact OE1-NH2 3.12Å; E289-R329 IonicContact OE2-CZ 3.87Å; E289-R329 IonicContact OE2-NH1 3.01Å; E289-R329 PolarHBondContact OE2-NH1 3.21Å; E289-R329 IonicContact OE2-NH2 2.66Å; E289-R329 PolarHBondContact OE2-NH2 2.83Å; N293-R329 PolarHBondContact ND2-NH1 3.1Å; N293-R329 PolarHBondContact OD1-NH1 2.76Å; V296-R329 HydrophobicContact CG2-CB 3.84Å; E325-R329 WeakPolarHBondContact O-CG 3.35Å; E325-R329 PolarHBondContact O-N 3.1Å; E325-R329 VanDerWaalsContact O-N 3.1Å; L326-R329 PolarHBondContact O-N 3.39Å; V327-R329 PolarHBondContact O-N 3.1Å; R329-K331 VanDerWaalsContact C-N 3.34Å; R329-K331 PolarHBondContact O-N 3.47Å; R329-A332 WeakPolarHBondContact O-CB 3.33Å; R329-A332 PolarHBondContact O-N 3.32Å
330	A	98.4	Very high	98	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-38.4	177	0	0	0	0	0	112.1	F300 L326 V327 A332 L333 L373 P391 I393	F300-A330 HydrophobicContact CD2-CB 4.39Å; F300-A330 HydrophobicContact CE2-CB 3.62Å; F300-A330 HydrophobicContact CZ-CB 4.04Å; L326-A330 PolarHBondContact O-N 3.36Å; V327-A330 PolarHBondContact O-N 3.41Å; A330-A332 PolarHBondContact O-N 3.05Å; A330-L333 WeakPolarHBondContact O-CB 3.44Å; A330-L333 WeakPolarHBondContact O-CG 3.43Å; A330-L333 PolarHBondContact O-N 2.94Å; A330-L373 HydrophobicContact CB-CD2 3.82Å; A330-P391 HydrophobicContact CB-CB 4.3Å; A330-I393 HydrophobicContact CB-CD1 3.67Å
331	K	98.1	Very high	97.9	Very high	114 Å²	114	55.1 Å²	55.1	50%	0.496	30%	0.304	S	S	.	.	H	α-helix	trans	-60.5	-29.5	174.1	-77.7	170	-174.6	162.4	0	113.4	V327 D328 R329 L333 L373	V327-K331 HydrophobicContact CG1-CD 4.13Å; V327-K331 VanDerWaalsContact CG1-CE 3.4Å; V327-K331 HydrophobicContact CG1-CG 4.47Å; V327-K331 WeakPolarHBondContact O-CG 3.49Å; V327-K331 PolarHBondContact O-N 3.29Å; D328-K331 PolarHBondContact O-N 2.87Å; D328-K331 IonicContact OD1-NZ 2.71Å; D328-K331 PolarHBondContact OD1-NZ 3.14Å; R329-K331 VanDerWaalsContact C-N 3.34Å; R329-K331 PolarHBondContact O-N 3.47Å; K331-L333 VanDerWaalsContact C-N 3.26Å; K331-L333 PolarHBondContact O-N 3.39Å; K331-L373 HydrophobicContact CD-CD1 4.34Å; K331-L373 HydrophobicContact CG-CD1 3.45Å; K331-L373 VanDerWaalsContact CG-CD1 3.45Å; K331-L373 HydrophobicContact CG-CD2 3.95Å; K331-L373 HydrophobicContact CG-CG 4.29Å
332	A	98.1	Very high	97.7	Very high	74 Å²	74	53.5 Å²	53.5	61%	0.612	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-11.8	-178.2	0	0	0	0	0	113.7	D328 R329 A330	D328-A332 PolarHBondContact O-N 3.47Å; R329-A332 WeakPolarHBondContact O-CB 3.33Å; R329-A332 PolarHBondContact O-N 3.32Å; A330-A332 PolarHBondContact O-N 3.05Å
333	L	98.3	Very high	97.7	Very high	35 Å²	35	53.3 Å²	53.3	18%	0.183	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-67.2	136.8	179.5	-63.5	176.7	0	0	0	111.6	V296 F300 A330 K331 D344 V345 P391	V296-L333 HydrophobicContact CG1-CD1 3.72Å; V296-L333 HydrophobicContact CG1-CD2 3.82Å; V296-L333 HydrophobicContact CG1-CG 4Å; F300-L333 HydrophobicContact CB-CD1 3.62Å; F300-L333 HydrophobicContact CD2-CD1 3.63Å; F300-L333 HydrophobicContact CG-CD1 3.8Å; A330-L333 WeakPolarHBondContact O-CB 3.44Å; A330-L333 WeakPolarHBondContact O-CG 3.43Å; A330-L333 PolarHBondContact O-N 2.94Å; K331-L333 VanDerWaalsContact C-N 3.26Å; K331-L333 PolarHBondContact O-N 3.39Å; L333-D344 HydrophobicContact CB-CB 4.13Å; L333-D344 HydrophobicContact CD2-CB 3.8Å; L333-V345 HydrophobicContact CB-CG2 4.29Å; L333-V345 HydrophobicContact CD1-CG2 4.07Å; L333-P391 HydrophobicContact CB-CG 3.93Å; L333-P391 HydrophobicContact CD1-CB 4.32Å; L333-P391 HydrophobicContact CD1-CG 3.74Å; L333-P391 HydrophobicContact CG-CG 4.4Å
334	R	98.1	Very high	97.7	Very high	164 Å²	164	55.8 Å²	55.8	62%	0.619	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-91.1	117.9	-179.6	-62.5	175.3	-176.7	-174.4	6.2	110.5	G342 D344 V345	R334-G342 WeakPolarHBondContact CD-O 3.35Å; R334-D344 PolarHBondContact N-OD2 3.24Å; R334-D344 PolarHBondContact O-N 2.8Å; R334-V345 PolarHBondContact O-N 2.87Å
335	V	98.6	Very high	97.7	Very high	27 Å²	27	51.9 Å²	51.9	16%	0.164	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-94.6	120.7	175.6	-173.4	0	0	0	0	109.2	V345 V378 V380 F388	V335-V345 WeakPolarHBondContact CA-O 3.41Å; V335-V345 HydrophobicContact CG2-CB 4.23Å; V335-V378 HydrophobicContact CB-CG2 4.19Å; V335-V378 HydrophobicContact CG1-CG1 4.39Å; V335-V378 HydrophobicContact CG1-CG2 4.27Å; V335-V378 HydrophobicContact CG2-CG2 4.34Å; V335-V380 HydrophobicContact CG1-CG2 4.06Å; V335-F388 HydrophobicContact CG1-CB 4.27Å; V335-F388 HydrophobicContact CG1-CD1 3.76Å; V335-F388 HydrophobicContact CG1-CG 4.33Å
336	N	98.3	Very high	97.7	Very high	47 Å²	47	48.5 Å²	48.5	25%	0.251	28%	0.275	S	S	.	.			trans	-162	177.4	177.7	-150.8	-20.3	0	0	0	111.1	Q340 V343 V345 G346 V380 Y383 F388	N336-Q340 HydrophobicContact CB-CB 4.33Å; N336-V343 HydrophobicContact CB-CB 4.21Å; N336-V343 HydrophobicContact CB-CG2 3.75Å; N336-V343 WeakPolarHBondContact O-CG2 3.23Å; N336-V345 PolarHBondContact N-O 3.32Å; N336-V345 VanDerWaalsContact N-O 3.16Å; N336-G346 WeakPolarHBondContact O-CA 3.32Å; N336-V380 HydrophobicContact CB-CG1 4.42Å; N336-V380 VanDerWaalsContact OD1-CG1 3.26Å; N336-V380 WeakPolarHBondContact OD1-CG1 3.32Å; N336-Y383 WeakPolarHBondContact OD1-CE2 3.32Å; N336-F388 VanDerWaalsContact C-CE1 3.46Å; N336-F388 WeakPolarHBondContact O-CE1 3.22Å
337	A	98.1	Very high	97.7	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	28%	0.275	C	S	.	.			trans	-58.3	142	169.1	0	0	0	0	0	111	A53 D339 Q340 Y383	A53-A337 HydrophobicContact CB-CB 3.62Å; A337-D339 WeakPolarHBondContact CB-OD1 3.47Å; A337-D339 PolarHBondContact O-N 3.15Å; A337-D339 VanDerWaalsContact O-N 3.11Å; A337-Q340 HydrophobicContact CB-CG 4.02Å; A337-Q340 WeakPolarHBondContact O-CB 3.25Å; A337-Q340 PolarHBondContact O-N 3.06Å; A337-Y383 HydrophobicContact CB-CD1 4.05Å; A337-Y383 HydrophobicContact CB-CD2 4.34Å; A337-Y383 HydrophobicContact CB-CE1 3.55Å; A337-Y383 HydrophobicContact CB-CE2 3.87Å; A337-Y383 HydrophobicContact CB-CG 4.41Å; A337-Y383 VanDerWaalsContact CB-CZ 3.45Å
338	G	97.1	Very high	97.7	Very high	4 Å²	4	48.1 Å²	48.1	4%	0.041	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15	-170.3	0	0	0	0	0	115.3	T114 G118 T120 L121	T114-G338 VanDerWaalsContact CG2-C 3.5Å; G118-G338 WeakPolarHBondContact O-CA 2.83Å; T120-G338 WeakPolarHBondContact CA-O 3.31Å; L121-G338 PolarHBondContact N-O 3.39Å; L121-G338 VanDerWaalsContact N-O 3.15Å
339	D	96.1	Very high	97.7	Very high	88 Å²	88	44.1 Å²	44.1	47%	0.471	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-7.2	176.5	66.1	-16.2	0	0	0	113.5	T114 A337	T114-D339 HydrophobicContact CG2-CB 4.09Å; A337-D339 WeakPolarHBondContact CB-OD1 3.47Å; A337-D339 PolarHBondContact O-N 3.15Å; A337-D339 VanDerWaalsContact O-N 3.11Å
340	Q	97.6	Very high	97.7	Very high	71 Å²	71	42.2 Å²	42.2	33%	0.332	25%	0.245	S	C	.	.	S	Bend	trans	-79.1	146.4	179.7	-58.4	-54.6	-58.3	0	0	112.1	N336 A337 G342 V343 Y383	N336-Q340 HydrophobicContact CB-CB 4.33Å; A337-Q340 HydrophobicContact CB-CG 4.02Å; A337-Q340 WeakPolarHBondContact O-CB 3.25Å; A337-Q340 PolarHBondContact O-N 3.06Å; Q340-G342 PolarHBondContact O-N 2.8Å; Q340-V343 WeakPolarHBondContact O-CG1 3.1Å; Q340-Y383 HydrophobicContact CG-CE2 4.43Å; Q340-Y383 PolarHBondContact NE2-OH 3.44Å; Q340-Y383 VanDerWaalsContact NE2-OH 3.09Å
341	A	94.5	Very high	97.7	Very high	102 Å²	102	45 Å²	45	84%	0.843	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	132.2	-178.5	0	0	0	0	0	112.1	V343	A341-V343 VanDerWaalsContact C-N 3.28Å; A341-V343 PolarHBondContact O-N 2.98Å
342	G	93.8	Very high	97.7	Very high	49 Å²	49	45.3 Å²	45.3	51%	0.505	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	23.2	176.2	0	0	0	0	0	114.3	R334 Q340	R334-G342 WeakPolarHBondContact CD-O 3.35Å; Q340-G342 PolarHBondContact O-N 2.8Å
343	V	97.3	Very high	97.7	Very high	18 Å²	18	42.9 Å²	42.9	11%	0.109	25%	0.247	C	C	.	.			trans	-75.4	137.7	170.2	64.4	0	0	0	0	110.7	T120 N336 Q340 A341	T120-V343 HydrophobicContact CG2-CG1 3.76Å; T120-V343 HydrophobicContact CG2-CG2 4.46Å; N336-V343 HydrophobicContact CB-CB 4.21Å; N336-V343 HydrophobicContact CB-CG2 3.75Å; N336-V343 WeakPolarHBondContact O-CG2 3.23Å; Q340-V343 WeakPolarHBondContact O-CG1 3.1Å; A341-V343 VanDerWaalsContact C-N 3.28Å; A341-V343 PolarHBondContact O-N 2.98Å
344	D	97.9	Very high	97.7	Very high	68 Å²	68	43.8 Å²	43.8	36%	0.364	25%	0.249	S	C	.	.	S	Bend	trans	-103.9	-36.7	176.2	-57.6	-60.4	0	0	0	111.7	L333 R334	L333-D344 HydrophobicContact CB-CB 4.13Å; L333-D344 HydrophobicContact CD2-CB 3.8Å; R334-D344 PolarHBondContact N-OD2 3.24Å; R334-D344 PolarHBondContact O-N 2.8Å
345	V	98.4	Very high	97.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-128.5	116.1	-174.8	-177.1	0	0	0	0	110.4	F300 A303 L333 R334 V335 N336 P391 P411	F300-V345 HydrophobicContact CB-CG2 4.15Å; A303-V345 HydrophobicContact CB-CG1 3.91Å; L333-V345 HydrophobicContact CB-CG2 4.29Å; L333-V345 HydrophobicContact CD1-CG2 4.07Å; R334-V345 PolarHBondContact O-N 2.87Å; V335-V345 WeakPolarHBondContact CA-O 3.41Å; V335-V345 HydrophobicContact CG2-CB 4.23Å; N336-V345 PolarHBondContact N-O 3.32Å; N336-V345 VanDerWaalsContact N-O 3.16Å; V345-P391 HydrophobicContact CG2-CG 4.35Å; V345-P411 HydrophobicContact CG1-CB 4.22Å; V345-P411 HydrophobicContact CG1-CG 4.46Å
346	G	98.4	Very high	97.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.01	26%	0.261	C	S	.	.			trans	-81.5	-177.5	175	0	0	0	0	0	113.9	A303 N336	A303-G346 WeakPolarHBondContact CB-O 3.38Å; N336-G346 WeakPolarHBondContact O-CA 3.32Å
347	P	98.6	Very high	97.7	Very high	1 Å²	1	44 Å²	44	1%	0.006	25%	0.249	C	C	.	.			trans	-72.7	162.3	172.3	33.1	-36.6	0	0	0	112.4	P52 A53 G118 Q305 N387 F388	P52-P347 HydrophobicContact CB-CB 4.18Å; P52-P347 HydrophobicContact CB-CG 3.86Å; P52-P347 HydrophobicContact CG-CG 3.91Å; P52-P347 WeakPolarHBondContact O-CB 3.48Å; A53-P347 HydrophobicContact CB-CG 4.17Å; G118-P347 WeakPolarHBondContact O-CD 3.43Å; Q305-P347 PolarHBondContact NE2-O 3Å; P347-N387 HydrophobicContact CB-CB 4.25Å; P347-F388 HydrophobicContact CB-CD1 3.88Å; P347-F388 HydrophobicContact CB-CE1 3.69Å; P347-F388 HydrophobicContact CB-CG 4.42Å; P347-F388 HydrophobicContact CB-CZ 4.05Å; P347-F388 HydrophobicContact CG-CE1 4.07Å; P347-F388 HydrophobicContact CG-CZ 4.34Å
348	L	98.8	Very high	97.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.259	C	S	.	.			trans	-74.9	155.8	164.8	-63.7	173.6	0	0	0	110.6	P52 A303 Q305 S350 A353 K354 V357 N387 V389	P52-L348 VanDerWaalsContact CB-O 3.27Å; P52-L348 WeakPolarHBondContact CB-O 3.27Å; A303-L348 HydrophobicContact CB-CD2 4.2Å; Q305-L348 HydrophobicContact CG-CD2 3.69Å; L348-S350 PolarHBondContact O-N 3.04Å; L348-S350 VanDerWaalsContact O-N 3.12Å; L348-A353 HydrophobicContact CB-CB 4.23Å; L348-K354 HydrophobicContact CD1-CB 4.22Å; L348-V357 HydrophobicContact CD1-CB 4.01Å; L348-V357 HydrophobicContact CD1-CG1 4.43Å; L348-V357 HydrophobicContact CD1-CG2 3.74Å; L348-N387 HydrophobicContact CB-CB 4.36Å; L348-N387 WeakPolarHBondContact CB-O 3.34Å; L348-N387 PolarHBondContact N-O 3.18Å; L348-N387 WeakPolarHBondContact O-CB 3.37Å; L348-V389 HydrophobicContact CD1-CB 4.17Å; L348-V389 HydrophobicContact CD1-CG2 3.61Å
349	I	98.4	Very high	97.8	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.051	28%	0.277	C	S	.	.	S	Bend	trans	-60.5	-27.8	-171.9	-174.1	61	0	0	0	114.7	E116 Q117 F175 R203 V204 A353	E116-I349 WeakPolarHBondContact O-CD1 3.33Å; Q117-I349 HydrophobicContact CG-CD1 4.37Å; F175-I349 HydrophobicContact CB-CG1 4.41Å; F175-I349 HydrophobicContact CD2-CB 3.7Å; F175-I349 HydrophobicContact CD2-CD1 4Å; F175-I349 HydrophobicContact CD2-CG1 3.58Å; F175-I349 HydrophobicContact CD2-CG2 3.96Å; F175-I349 HydrophobicContact CE1-CG2 4.08Å; F175-I349 HydrophobicContact CE2-CB 3.54Å; F175-I349 HydrophobicContact CE2-CG1 3.98Å; F175-I349 HydrophobicContact CE2-CG2 3.48Å; F175-I349 VanDerWaalsContact CE2-CG2 3.48Å; F175-I349 HydrophobicContact CG-CB 4.44Å; F175-I349 HydrophobicContact CG-CG1 3.98Å; F175-I349 HydrophobicContact CG-CG2 4.45Å; F175-I349 HydrophobicContact CZ-CB 4.14Å; F175-I349 HydrophobicContact CZ-CG2 3.53Å; R203-I349 HydrophobicContact CB-CD1 4.25Å; R203-I349 HydrophobicContact CB-CG1 4.28Å; R203-I349 VanDerWaalsContact NH1-CG2 3.25Å; V204-I349 HydrophobicContact CG1-CD1 3.89Å; I349-A353 HydrophobicContact CG2-CB 3.9Å
350	S	98.4	Very high	97.9	Very high	12 Å²	12	44.3 Å²	44.3	8%	0.084	26%	0.255	C	S	.	.	S	Bend	trans	-156.4	163.1	-176.1	82.2	0	0	0	0	113.1	R203 L348 Q352 A353 K354 N387	R203-S350 PolarHBondContact NH1-OG 3.26Å; L348-S350 PolarHBondContact O-N 3.04Å; L348-S350 VanDerWaalsContact O-N 3.12Å; S350-Q352 VanDerWaalsContact CB-OE1 3.31Å; S350-Q352 PolarHBondContact O-N 2.91Å; S350-Q352 PolarHBondContact OG-N 3.41Å; S350-Q352 PolarHBondContact OG-OE1 3.32Å; S350-A353 WeakPolarHBondContact O-CB 3.38Å; S350-A353 PolarHBondContact O-N 3.38Å; S350-A353 VanDerWaalsContact O-N 3.08Å; S350-A353 PolarHBondContact OG-N 2.93Å; S350-K354 PolarHBondContact O-N 3.43Å; S350-N387 VanDerWaalsContact C-CG 3.42Å; S350-N387 WeakPolarHBondContact CA-ND2 3.32Å
351	P	98.1	Very high	98	Very high	59 Å²	59	40.9 Å²	40.9	38%	0.383	24%	0.239	S	C	.	.	H	α-helix	trans	-56.7	-38.1	174.3	-26.3	34.8	0	0	0	112.9	A353 K354 E355 N387	P351-A353 VanDerWaalsContact C-N 3.34Å; P351-A353 PolarHBondContact O-N 2.9Å; P351-K354 WeakPolarHBondContact O-CB 3.11Å; P351-K354 PolarHBondContact O-N 3Å; P351-E355 PolarHBondContact O-N 2.77Å; P351-N387 WeakPolarHBondContact CA-OD1 3.28Å; P351-N387 WeakPolarHBondContact CD-OD1 3.45Å; P351-N387 WeakPolarHBondContact CG-OD1 3.46Å
352	Q	98.3	Very high	98.2	Very high	119 Å²	119	39.4 Å²	39.4	56%	0.556	22%	0.215	S	C	*	.	H	α-helix	trans	-67.5	-34.4	177.9	-56.7	78.1	12.4	0	0	111.8	S350 R356	S350-Q352 VanDerWaalsContact CB-OE1 3.31Å; S350-Q352 PolarHBondContact O-N 2.91Å; S350-Q352 PolarHBondContact OG-N 3.41Å; S350-Q352 PolarHBondContact OG-OE1 3.32Å; Q352-R356 WeakPolarHBondContact O-CB 3.33Å; Q352-R356 PolarHBondContact O-N 3.47Å
353	A	98.4	Very high	98.4	Very high	23 Å²	23	37.7 Å²	37.7	19%	0.19	20%	0.195	C	C	.	.	H	α-helix	trans	-66.6	-43	173.4	0	0	0	0	0	110.7	L348 I349 S350 P351 R356 V357	L348-A353 HydrophobicContact CB-CB 4.23Å; I349-A353 HydrophobicContact CG2-CB 3.9Å; S350-A353 WeakPolarHBondContact O-CB 3.38Å; S350-A353 PolarHBondContact O-N 3.38Å; S350-A353 VanDerWaalsContact O-N 3.08Å; S350-A353 PolarHBondContact OG-N 2.93Å; P351-A353 VanDerWaalsContact C-N 3.34Å; P351-A353 PolarHBondContact O-N 2.9Å; A353-R356 PolarHBondContact O-N 3.13Å; A353-V357 VanDerWaalsContact O-CG2 3.32Å; A353-V357 WeakPolarHBondContact O-CG2 3.24Å; A353-V357 PolarHBondContact O-N 3.31Å
354	K	98.5	Very high	98.5	Very high	54 Å²	54	36.9 Å²	36.9	24%	0.235	19%	0.19	C	C	.	.	H	α-helix	trans	-59.2	-46.9	173.7	175.4	174	-179.5	176.9	0	112.3	L348 S350 P351 V357 N358 G386 F388 V389	L348-K354 HydrophobicContact CD1-CB 4.22Å; S350-K354 PolarHBondContact O-N 3.43Å; P351-K354 WeakPolarHBondContact O-CB 3.11Å; P351-K354 PolarHBondContact O-N 3Å; K354-V357 PolarHBondContact O-N 3.29Å; K354-N358 WeakPolarHBondContact O-CB 3.24Å; K354-N358 PolarHBondContact O-N 3.31Å; K354-G386 PolarHBondContact NZ-O 3.13Å; K354-F388 WeakPolarHBondContact CE-O 3.3Å; K354-F388 PolarHBondContact NZ-O 2.88Å; K354-V389 HydrophobicContact CG-CG2 3.91Å
355	E	98.5	Very high	98.5	Very high	138 Å²	138	36.2 Å²	36.2	65%	0.645	19%	0.188	S	C	*	.	H	α-helix	trans	-61.8	-44.7	176.8	-175.2	177.8	-167.7	0	0	112.1	P351 V357 N358 S359	P351-E355 PolarHBondContact O-N 2.77Å; E355-V357 PolarHBondContact O-N 3.34Å; E355-N358 PolarHBondContact O-N 3.03Å; E355-S359 PolarHBondContact O-N 3.48Å; E355-S359 PolarHBondContact O-OG 3.28Å
356	R	98.4	Very high	98.4	Very high	102 Å²	102	41.9 Å²	41.9	39%	0.385	22%	0.218	S	C	.	.	H	α-helix	trans	-60.4	-46.1	175.9	174.9	169.8	169.9	64.3	0.6	112.1	Q352 A353 S359 L360 E406 E407	Q352-R356 WeakPolarHBondContact O-CB 3.33Å; Q352-R356 PolarHBondContact O-N 3.47Å; A353-R356 PolarHBondContact O-N 3.13Å; R356-S359 PolarHBondContact O-N 3.12Å; R356-S359 PolarHBondContact O-OG 3.35Å; R356-L360 HydrophobicContact CG-CD1 4.28Å; R356-L360 PolarHBondContact O-N 2.6Å; R356-L360 VanDerWaalsContact O-N 3.08Å; R356-E406 IonicContact CZ-OE2 3.59Å; R356-E406 VanDerWaalsContact CZ-OE2 3.28Å; R356-E406 IonicContact NH1-OE2 3.29Å; R356-E406 PolarHBondContact NH1-OE2 3.25Å; R356-E406 IonicContact NH2-OE2 3.68Å; R356-E406 PolarHBondContact NH2-OE2 3.05Å; R356-E407 PolarHBondContact NH2-O 3.5Å
357	V	98.8	Very high	98.4	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-46.7	178.4	169.6	0	0	0	0	110.1	L348 A353 K354 E355 S359 L360 I361 V389 I408 V412	L348-V357 HydrophobicContact CD1-CB 4.01Å; L348-V357 HydrophobicContact CD1-CG1 4.43Å; L348-V357 HydrophobicContact CD1-CG2 3.74Å; A353-V357 VanDerWaalsContact O-CG2 3.32Å; A353-V357 WeakPolarHBondContact O-CG2 3.24Å; A353-V357 PolarHBondContact O-N 3.31Å; K354-V357 PolarHBondContact O-N 3.29Å; E355-V357 PolarHBondContact O-N 3.34Å; V357-S359 VanDerWaalsContact C-N 3.32Å; V357-S359 PolarHBondContact O-N 2.97Å; V357-L360 PolarHBondContact O-N 3.46Å; V357-I361 HydrophobicContact CG1-CD1 3.82Å; V357-I361 HydrophobicContact CG1-CG1 4.46Å; V357-I361 VanDerWaalsContact O-CG1 3.3Å; V357-I361 WeakPolarHBondContact O-CG1 3.44Å; V357-I361 PolarHBondContact O-N 2.91Å; V357-V389 HydrophobicContact CG1-CG1 4.03Å; V357-V389 HydrophobicContact CG1-CG2 4.28Å; V357-I408 HydrophobicContact CB-CG2 4.46Å; V357-I408 HydrophobicContact CG1-CG2 4.11Å; V357-I408 HydrophobicContact CG2-CG2 4.12Å; V357-V412 HydrophobicContact CG1-CG2 3.89Å
358	N	98.7	Very high	98.4	Very high	38 Å²	38	48.5 Å²	48.5	20%	0.203	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-38.4	178	-75.3	-10	0	0	0	112.6	K354 E355 I361 Q362 R376	K354-N358 WeakPolarHBondContact O-CB 3.24Å; K354-N358 PolarHBondContact O-N 3.31Å; E355-N358 PolarHBondContact O-N 3.03Å; N358-I361 PolarHBondContact O-N 2.81Å; N358-Q362 WeakPolarHBondContact O-CB 3.25Å; N358-Q362 PolarHBondContact O-N 2.85Å; N358-R376 WeakPolarHBondContact OD1-CG 3.44Å
359	S	98.6	Very high	98.4	Very high	61 Å²	61	49 Å²	49	43%	0.427	27%	0.268	S	S	.	.	H	α-helix	trans	-69.7	-34.5	177.9	68.7	0	0	0	0	112.9	E355 R356 V357 Q362 S363	E355-S359 PolarHBondContact O-N 3.48Å; E355-S359 PolarHBondContact O-OG 3.28Å; R356-S359 PolarHBondContact O-N 3.12Å; R356-S359 PolarHBondContact O-OG 3.35Å; V357-S359 VanDerWaalsContact C-N 3.32Å; V357-S359 PolarHBondContact O-N 2.97Å; S359-Q362 PolarHBondContact O-N 2.86Å; S359-S363 PolarHBondContact O-N 2.85Å
360	L	98.6	Very high	98.3	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-73.3	-32.4	173.6	-71.2	173.7	0	0	0	113.1	R356 V357 S363 G364 K402 C403 E406 I408	R356-L360 HydrophobicContact CG-CD1 4.28Å; R356-L360 PolarHBondContact O-N 2.6Å; R356-L360 VanDerWaalsContact O-N 3.08Å; V357-L360 PolarHBondContact O-N 3.46Å; L360-S363 PolarHBondContact O-OG 2.94Å; L360-G364 PolarHBondContact O-N 2.83Å; L360-K402 HydrophobicContact CD2-CD 4.23Å; L360-K402 HydrophobicContact CD2-CG 3.93Å; L360-C403 VanDerWaalsContact O-CB 3.3Å; L360-C403 WeakPolarHBondContact O-CB 3.38Å; L360-E406 HydrophobicContact CD1-CB 4.46Å; L360-E406 HydrophobicContact CD2-CB 4.06Å; L360-E406 HydrophobicContact CD2-CG 4.5Å; L360-I408 HydrophobicContact CB-CG1 4.27Å; L360-I408 HydrophobicContact CD1-CB 4.18Å; L360-I408 HydrophobicContact CD1-CG1 3.99Å; L360-I408 HydrophobicContact CD1-CG2 4.32Å
361	I	98.7	Very high	98.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-46.1	170	-65	163.9	0	0	0	109.4	V357 N358 S363 G364 V365 L371 R376 V389 T392 I394 V412	V357-I361 HydrophobicContact CG1-CD1 3.82Å; V357-I361 HydrophobicContact CG1-CG1 4.46Å; V357-I361 VanDerWaalsContact O-CG1 3.3Å; V357-I361 WeakPolarHBondContact O-CG1 3.44Å; V357-I361 PolarHBondContact O-N 2.91Å; N358-I361 PolarHBondContact O-N 2.81Å; I361-S363 PolarHBondContact O-N 3.32Å; I361-G364 PolarHBondContact O-N 3.08Å; I361-V365 PolarHBondContact O-N 2.99Å; I361-L371 HydrophobicContact CG2-CD1 4.16Å; I361-L371 HydrophobicContact CG2-CD2 3.76Å; I361-R376 HydrophobicContact CB-CG 4.31Å; I361-R376 HydrophobicContact CD1-CG 3.7Å; I361-R376 HydrophobicContact CG2-CG 4.01Å; I361-V389 HydrophobicContact CD1-CG1 4.25Å; I361-T392 HydrophobicContact CD1-CG2 4Å; I361-T392 HydrophobicContact CG1-CG2 4.11Å; I361-T392 HydrophobicContact CG2-CG2 3.98Å; I361-I394 HydrophobicContact CG1-CD1 4.47Å; I361-I394 HydrophobicContact CG2-CD1 4.4Å; I361-V412 HydrophobicContact CD1-CG2 3.72Å; I361-V412 HydrophobicContact CG1-CG1 4.25Å; I361-V412 HydrophobicContact CG1-CG2 3.8Å
362	Q	98.6	Very high	98.3	Very high	71 Å²	71	54.4 Å²	54.4	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-40.4	178.6	-174.6	60.2	52.1	0	0	112	N358 S359 G364 V365 D366	N358-Q362 WeakPolarHBondContact O-CB 3.25Å; N358-Q362 PolarHBondContact O-N 2.85Å; S359-Q362 PolarHBondContact O-N 2.86Å; Q362-G364 PolarHBondContact O-N 3.46Å; Q362-V365 WeakPolarHBondContact O-CB 3.37Å; Q362-V365 PolarHBondContact O-N 2.88Å; Q362-D366 PolarHBondContact NE2-OD1 2.76Å; Q362-D366 VanDerWaalsContact O-CG 3.3Å; Q362-D366 PolarHBondContact O-N 2.88Å
363	S	98.5	Very high	98.3	Very high	13 Å²	13	50.1 Å²	50.1	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-34.6	177.7	71.7	0	0	0	0	112.2	S359 L360 I361 D366 E367	S359-S363 PolarHBondContact O-N 2.85Å; L360-S363 PolarHBondContact O-OG 2.94Å; I361-S363 PolarHBondContact O-N 3.32Å; S363-D366 PolarHBondContact O-N 3.18Å; S363-E367 VanDerWaalsContact O-CB 3.28Å; S363-E367 WeakPolarHBondContact O-CB 2.97Å; S363-E367 WeakPolarHBondContact O-CG 3.38Å; S363-E367 PolarHBondContact O-N 2.67Å
364	G	98	Very high	98.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-45.5	172.5	0	0	0	0	0	112.3	L360 I361 Q362 E367 G368 A369	L360-G364 PolarHBondContact O-N 2.83Å; I361-G364 PolarHBondContact O-N 3.08Å; Q362-G364 PolarHBondContact O-N 3.46Å; G364-E367 PolarHBondContact O-N 2.8Å; G364-G368 PolarHBondContact O-N 2.84Å; G364-A369 WeakPolarHBondContact O-CA 3.43Å; G364-A369 WeakPolarHBondContact O-CB 3.45Å; G364-A369 PolarHBondContact O-N 3.32Å
365	V	97.9	Very high	98.3	Very high	55 Å²	55	50.1 Å²	50.1	33%	0.333	27%	0.271	S	S	.	.	H	α-helix	trans	-62	-46.9	176.4	178.8	0	0	0	0	111.2	I361 Q362 E367 G368 L371	I361-V365 PolarHBondContact O-N 2.99Å; Q362-V365 WeakPolarHBondContact O-CB 3.37Å; Q362-V365 PolarHBondContact O-N 2.88Å; V365-E367 PolarHBondContact O-N 3.3Å; V365-G368 PolarHBondContact O-N 2.65Å; V365-G368 VanDerWaalsContact O-N 3.1Å; V365-L371 HydrophobicContact CG2-CD1 3.37Å; V365-L371 HydrophobicContact CG2-CD2 4.3Å; V365-L371 HydrophobicContact CG2-CG 3.59Å
366	D	98.3	Very high	98.3	Very high	119 Å²	119	45.5 Å²	45.5	64%	0.636	25%	0.248	S	C	*	.	H	α-helix	trans	-64.1	-31	-178	-61.1	-20.6	0	0	0	112	Q362 S363 G368	Q362-D366 PolarHBondContact NE2-OD1 2.76Å; Q362-D366 VanDerWaalsContact O-CG 3.3Å; Q362-D366 PolarHBondContact O-N 2.88Å; S363-D366 PolarHBondContact O-N 3.18Å; D366-G368 VanDerWaalsContact C-N 3.33Å
367	E	98.3	Very high	98.2	Very high	86 Å²	86	47 Å²	47	40%	0.402	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	1.8	178.5	-66.5	166.8	163.7	0	0	113.3	S363 G364 V365 M401 K402	S363-E367 VanDerWaalsContact O-CB 3.28Å; S363-E367 WeakPolarHBondContact O-CB 2.97Å; S363-E367 WeakPolarHBondContact O-CG 3.38Å; S363-E367 PolarHBondContact O-N 2.67Å; G364-E367 PolarHBondContact O-N 2.8Å; V365-E367 PolarHBondContact O-N 3.3Å; E367-M401 HydrophobicContact CB-CG 3.97Å; E367-M401 HydrophobicContact CB-SD 4.39Å; E367-M401 WeakPolarHBondContact O-CE 3.4Å; E367-M401 WeakPolarHBondContact OE2-CA 3.25Å; E367-M401 WeakPolarHBondContact OE2-CB 3.27Å; E367-K402 VanDerWaalsContact OE1-CB 3.31Å; E367-K402 WeakPolarHBondContact OE1-CB 3.32Å; E367-K402 PolarHBondContact OE1-N 2.84Å; E367-K402 PolarHBondContact OE2-N 2.81Å
368	G	97.6	Very high	98.1	Very high	56 Å²	56	49.1 Å²	49.1	58%	0.577	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.5	8.8	173.6	0	0	0	0	0	115.7	G364 V365 D366	G364-G368 PolarHBondContact O-N 2.84Å; V365-G368 PolarHBondContact O-N 2.65Å; V365-G368 VanDerWaalsContact O-N 3.1Å; D366-G368 VanDerWaalsContact C-N 3.33Å
369	A	98.1	Very high	97.9	Very high	10 Å²	10	57 Å²	57	8%	0.083	31%	0.309	C	S	.	.			trans	-71.9	158.6	170.2	0	0	0	0	0	111.5	G364 I394 V397 M401	G364-A369 WeakPolarHBondContact O-CA 3.43Å; G364-A369 WeakPolarHBondContact O-CB 3.45Å; G364-A369 PolarHBondContact O-N 3.32Å; A369-I394 HydrophobicContact CB-CG2 3.57Å; A369-V397 HydrophobicContact CB-CG2 3.82Å; A369-M401 HydrophobicContact CB-CE 4.3Å; A369-M401 HydrophobicContact CB-SD 3.83Å
370	Q	98.1	Very high	97.8	Very high	99 Å²	99	54.6 Å²	54.6	46%	0.463	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.2	-179.9	-179.8	179.4	3.8	0	0	111	L372 I394 C395 N396	Q370-L372 HydrophobicContact CG-CD2 4.09Å; Q370-I394 CarbonylContact O-C 3.43Å; Q370-I394 WeakPolarHBondContact O-CA 3.42Å; Q370-C395 PolarHBondContact N-O 3.08Å; Q370-C395 PolarHBondContact O-N 2.83Å; Q370-N396 PolarHBondContact OE1-ND2 2.96Å
371	L	97.9	Very high	97.7	Very high	43 Å²	43	63.1 Å²	63.1	23%	0.225	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	110.3	170.6	-66.1	178.3	0	0	0	110.3	I361 V365 D374 T392 I394	I361-L371 HydrophobicContact CG2-CD1 4.16Å; I361-L371 HydrophobicContact CG2-CD2 3.76Å; V365-L371 HydrophobicContact CG2-CD1 3.37Å; V365-L371 HydrophobicContact CG2-CD2 4.3Å; V365-L371 HydrophobicContact CG2-CG 3.59Å; L371-D374 HydrophobicContact CD1-CB 4.31Å; L371-T392 HydrophobicContact CD2-CG2 4.17Å; L371-I394 HydrophobicContact CD2-CB 4.38Å; L371-I394 HydrophobicContact CD2-CD1 4.14Å; L371-I394 HydrophobicContact CD2-CG1 3.73Å; L371-I394 HydrophobicContact CD2-CG2 4.23Å
372	L	98.3	Very high	97.6	Very high	52 Å²	52	65.7 Å²	65.7	27%	0.272	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-26.2	174.5	-63.1	-176.6	0	0	0	112.7	L323 V327 Q370 I393 C395	L323-L372 HydrophobicContact CD1-CD1 3.95Å; L323-L372 HydrophobicContact CD2-CD1 3.45Å; L323-L372 VanDerWaalsContact CD2-CD1 3.45Å; L323-L372 HydrophobicContact CG-CD1 3.57Å; V327-L372 HydrophobicContact CG2-CB 3.83Å; V327-L372 HydrophobicContact CG2-CD1 4.06Å; Q370-L372 HydrophobicContact CG-CD2 4.09Å; L372-I393 HydrophobicContact CB-CG2 4.33Å; L372-I393 HydrophobicContact CD1-CG2 4.41Å; L372-I393 PolarHBondContact N-O 3.22Å; L372-C395 HydrophobicContact CD1-CB 3.82Å; L372-C395 VanDerWaalsContact CD1-SG 3.58Å; L372-C395 HydrophobicContact CG-CB 4.2Å; L372-C395 VanDerWaalsContact CG-SG 3.55Å
373	L	98.6	Very high	97.5	Very high	29 Å²	29	64.4 Å²	64.4	15%	0.152	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	124	171.9	-179.6	59.5	0	0	0	107.7	V327 A330 K331 P391 T392 I393	V327-L373 HydrophobicContact CG1-CB 4.34Å; A330-L373 HydrophobicContact CB-CD2 3.82Å; K331-L373 HydrophobicContact CD-CD1 4.34Å; K331-L373 HydrophobicContact CG-CD1 3.45Å; K331-L373 VanDerWaalsContact CG-CD1 3.45Å; K331-L373 HydrophobicContact CG-CD2 3.95Å; K331-L373 HydrophobicContact CG-CG 4.29Å; L373-P391 HydrophobicContact CD2-CB 3.96Å; L373-P391 WeakPolarHBondContact CD2-O 3.43Å; L373-P391 VanDerWaalsContact CG-O 3.27Å; L373-P391 WeakPolarHBondContact CG-O 3.21Å; L373-T392 CarbonylContact O-C 3.52Å; L373-T392 VanDerWaalsContact O-CA 3.26Å; L373-T392 WeakPolarHBondContact O-CA 3.5Å; L373-T392 VanDerWaalsContact O-CG2 3.28Å; L373-T392 WeakPolarHBondContact O-CG2 3.13Å; L373-I393 HydrophobicContact CB-CB 4.2Å; L373-I393 HydrophobicContact CB-CG1 4.49Å; L373-I393 PolarHBondContact N-O 2.85Å; L373-I393 PolarHBondContact O-N 3.34Å
374	D	98.5	Very high	97.4	Very high	70 Å²	70	70.2 Å²	70.2	37%	0.374	38%	0.376	S	S	.	.			trans	-112.9	106	-178.6	-173.3	-6.9	0	0	0	110.6	L371 R376	L371-D374 HydrophobicContact CD1-CB 4.31Å; D374-R376 WeakPolarHBondContact OD1-CB 3.17Å; D374-R376 VanDerWaalsContact OD1-CG 3.24Å; D374-R376 WeakPolarHBondContact OD1-CG 3.41Å; D374-R376 IonicContact OD1-CZ 3.89Å; D374-R376 PolarHBondContact OD1-N 3.18Å; D374-R376 IonicContact OD1-NE 3.74Å; D374-R376 PolarHBondContact OD1-NE 2.87Å; D374-R376 IonicContact OD1-NH2 2.84Å; D374-R376 IonicContact OD2-CZ 3.28Å; D374-R376 IonicContact OD2-NE 2.8Å; D374-R376 PolarHBondContact OD2-NE 3.07Å; D374-R376 IonicContact OD2-NH2 2.8Å; D374-R376 PolarHBondContact OD2-NH2 3.28Å
375	G	98.1	Very high	97.3	Very high	7 Å²	7	76.2 Å²	76.2	7%	0.072	41%	0.408	C	S	.	.			trans	-92.4	0.6	-179.7	0	0	0	0	0	115.1	N377 V378 G390 T392	G375-N377 VanDerWaalsContact C-N 3.26Å; G375-N377 PolarHBondContact O-N 2.7Å; G375-V378 PolarHBondContact O-N 3.41Å; G375-G390 PolarHBondContact O-N 3.2Å; G375-T392 WeakPolarHBondContact CA-OG1 3.28Å; G375-T392 PolarHBondContact N-OG1 3.12Å
376	R	98.1	Very high	97.2	Very high	41 Å²	41	73.7 Å²	73.7	16%	0.155	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.2	-169	-67.4	178.2	-72.1	176.6	2.2	114.3	N358 I361 D374	N358-R376 WeakPolarHBondContact OD1-CG 3.44Å; I361-R376 HydrophobicContact CB-CG 4.31Å; I361-R376 HydrophobicContact CD1-CG 3.7Å; I361-R376 HydrophobicContact CG2-CG 4.01Å; D374-R376 WeakPolarHBondContact OD1-CB 3.17Å; D374-R376 VanDerWaalsContact OD1-CG 3.24Å; D374-R376 WeakPolarHBondContact OD1-CG 3.41Å; D374-R376 IonicContact OD1-CZ 3.89Å; D374-R376 PolarHBondContact OD1-N 3.18Å; D374-R376 IonicContact OD1-NE 3.74Å; D374-R376 PolarHBondContact OD1-NE 2.87Å; D374-R376 IonicContact OD1-NH2 2.84Å; D374-R376 IonicContact OD2-CZ 3.28Å; D374-R376 IonicContact OD2-NE 2.8Å; D374-R376 PolarHBondContact OD2-NE 3.07Å; D374-R376 IonicContact OD2-NH2 2.8Å; D374-R376 PolarHBondContact OD2-NH2 3.28Å
377	N	95.2	Very high	97.3	Very high	134 Å²	134	68.2 Å²	68.2	72%	0.717	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	24.9	-173.6	-62.9	-48.3	0	0	0	113	G375 K379	G375-N377 VanDerWaalsContact C-N 3.26Å; G375-N377 PolarHBondContact O-N 2.7Å; N377-K379 PolarHBondContact O-N 3.34Å
378	V	96.8	Very high	97.3	Very high	47 Å²	47	64.3 Å²	64.3	29%	0.285	35%	0.346	S	S	.	.			trans	-57.8	134.9	176.4	69.3	0	0	0	0	110.5	V335 G375 F388	V335-V378 HydrophobicContact CB-CG2 4.19Å; V335-V378 HydrophobicContact CG1-CG1 4.39Å; V335-V378 HydrophobicContact CG1-CG2 4.27Å; V335-V378 HydrophobicContact CG2-CG2 4.34Å; G375-V378 PolarHBondContact O-N 3.41Å; V378-F388 HydrophobicContact CG1-CB 3.73Å
379	K	94.7	Very high	97.3	Very high	202 Å²	202	61.7 Å²	61.7	88%	0.878	32%	0.318	S	S	*	.			trans	-112	124.4	175.1	-64.8	-174.3	179.6	-177.6	0	108.9	N377	N377-K379 PolarHBondContact O-N 3.34Å
380	V	97.4	Very high	97.4	Very high	11 Å²	11	61.4 Å²	61.4	7%	0.067	32%	0.316	C	S	.	.			trans	-111	113.1	177	-174.7	0	0	0	0	107.6	V335 N336 G382 Y383 F388	V335-V380 HydrophobicContact CG1-CG2 4.06Å; N336-V380 HydrophobicContact CB-CG1 4.42Å; N336-V380 VanDerWaalsContact OD1-CG1 3.26Å; N336-V380 WeakPolarHBondContact OD1-CG1 3.32Å; V380-G382 PolarHBondContact O-N 2.87Å; V380-Y383 HydrophobicContact CG1-CD2 3.84Å; V380-Y383 HydrophobicContact CG1-CG 4.39Å; V380-Y383 CarbonylContact O-C 3.51Å; V380-Y383 PolarHBondContact O-N 2.85Å; V380-Y383 VanDerWaalsContact O-N 3.1Å; V380-F388 HydrophobicContact CB-CD2 4.05Å; V380-F388 HydrophobicContact CB-CE2 4.08Å; V380-F388 HydrophobicContact CB-CG 4.45Å; V380-F388 HydrophobicContact CB-CZ 4.49Å; V380-F388 HydrophobicContact CG1-CE2 4.39Å; V380-F388 HydrophobicContact CG1-CZ 4.37Å; V380-F388 HydrophobicContact CG2-CB 4.12Å; V380-F388 HydrophobicContact CG2-CD1 3.95Å; V380-F388 HydrophobicContact CG2-CD2 3.73Å; V380-F388 HydrophobicContact CG2-CE1 4.3Å; V380-F388 HydrophobicContact CG2-CE2 4.11Å; V380-F388 HydrophobicContact CG2-CG 3.63Å; V380-F388 HydrophobicContact CG2-CZ 4.38Å
381	Q	95.9	Very high	97.4	Very high	180 Å²	180	57.2 Å²	57.2	84%	0.841	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	130.1	-177	-177	179.1	-0.3	0	0	110.8	Y383	Q381-Y383 VanDerWaalsContact C-N 3.25Å; Q381-Y383 PolarHBondContact O-N 3.04Å
382	G	95.9	Very high	97.4	Very high	54 Å²	54	55.1 Å²	55.1	56%	0.557	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-1.6	-177.4	0	0	0	0	0	114.5	V380 E384	V380-G382 PolarHBondContact O-N 2.87Å; G382-E384 PolarHBondContact N-OE1 2.82Å; G382-E384 PolarHBondContact N-OE2 2.79Å
383	Y	97.2	Very high	97.5	Very high	45 Å²	45	52.7 Å²	52.7	18%	0.176	27%	0.274	C	S	.	.			trans	-136.7	40.6	179.2	-58.3	-85.3	0	0	0	111.4	A53 T54 N336 A337 Q340 V380 Q381 N385 G386 F388	A53-Y383 HydrophobicContact CB-CD1 3.86Å; A53-Y383 HydrophobicContact CB-CE1 4.13Å; A53-Y383 WeakPolarHBondContact O-CB 3.2Å; T54-Y383 HydrophobicContact CG2-CD1 3.87Å; T54-Y383 HydrophobicContact CG2-CE1 4.07Å; N336-Y383 WeakPolarHBondContact OD1-CE2 3.32Å; A337-Y383 HydrophobicContact CB-CD1 4.05Å; A337-Y383 HydrophobicContact CB-CD2 4.34Å; A337-Y383 HydrophobicContact CB-CE1 3.55Å; A337-Y383 HydrophobicContact CB-CE2 3.87Å; A337-Y383 HydrophobicContact CB-CG 4.41Å; A337-Y383 VanDerWaalsContact CB-CZ 3.45Å; Q340-Y383 HydrophobicContact CG-CE2 4.43Å; Q340-Y383 PolarHBondContact NE2-OH 3.44Å; Q340-Y383 VanDerWaalsContact NE2-OH 3.09Å; V380-Y383 HydrophobicContact CG1-CD2 3.84Å; V380-Y383 HydrophobicContact CG1-CG 4.39Å; V380-Y383 CarbonylContact O-C 3.51Å; V380-Y383 PolarHBondContact O-N 2.85Å; V380-Y383 VanDerWaalsContact O-N 3.1Å; Q381-Y383 VanDerWaalsContact C-N 3.25Å; Q381-Y383 PolarHBondContact O-N 3.04Å; Y383-N385 PolarHBondContact O-N 2.67Å; Y383-N385 VanDerWaalsContact O-N 3.15Å; Y383-G386 PolarHBondContact O-N 3.17Å; Y383-F388 HydrophobicContact CG-CE2 4.42Å; Y383-F388 HydrophobicContact CG-CZ 4.48Å
384	E	96	Very high	97.5	Very high	135 Å²	135	51.3 Å²	51.3	63%	0.631	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.9	-173.2	-67.8	74	-164.6	0	0	112.7	G382 G386	G382-E384 PolarHBondContact N-OE1 2.82Å; G382-E384 PolarHBondContact N-OE2 2.79Å; E384-G386 VanDerWaalsContact C-N 3.34Å
385	N	95.8	Very high	97.4	Very high	126 Å²	126	48.3 Å²	48.3	67%	0.674	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-1.7	178	-65.1	-33.8	0	0	0	113.4	N55 Y383	N55-N385 PolarHBondContact ND2-O 2.96Å; Y383-N385 PolarHBondContact O-N 2.67Å; Y383-N385 VanDerWaalsContact O-N 3.15Å
386	G	97.6	Very high	97.3	Very high	2 Å²	2	52.4 Å²	52.4	2%	0.021	27%	0.271	C	S	.	.	S	Bend	trans	-73.1	160.6	-175.1	0	0	0	0	0	115.2	A53 K354 Y383 E384 F388	A53-G386 WeakPolarHBondContact O-CA 3.32Å; A53-G386 PolarHBondContact O-N 3.48Å; K354-G386 PolarHBondContact NZ-O 3.13Å; Y383-G386 PolarHBondContact O-N 3.17Å; E384-G386 VanDerWaalsContact C-N 3.34Å; G386-F388 PolarHBondContact O-N 2.96Å
387	N	98.5	Very high	97.3	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	27%	0.267	C	S	.	.			trans	-83.9	42.7	-176.6	-61.5	-40.1	0	0	0	112.9	P52 N55 P347 L348 S350 P351	P52-N387 PolarHBondContact O-N 3.22Å; P52-N387 PolarHBondContact O-ND2 2.77Å; N55-N387 PolarHBondContact ND2-OD1 2.9Å; N55-N387 PolarHBondContact OD1-ND2 2.94Å; N55-N387 PolarHBondContact OD1-OD1 3.28Å; P347-N387 HydrophobicContact CB-CB 4.25Å; L348-N387 HydrophobicContact CB-CB 4.36Å; L348-N387 WeakPolarHBondContact CB-O 3.34Å; L348-N387 PolarHBondContact N-O 3.18Å; L348-N387 WeakPolarHBondContact O-CB 3.37Å; S350-N387 VanDerWaalsContact C-CG 3.42Å; S350-N387 WeakPolarHBondContact CA-ND2 3.32Å; P351-N387 WeakPolarHBondContact CA-OD1 3.28Å; P351-N387 WeakPolarHBondContact CD-OD1 3.45Å; P351-N387 WeakPolarHBondContact CG-OD1 3.46Å
388	F	98.7	Very high	97.3	Very high	5 Å²	5	47.4 Å²	47.4	2%	0.022	25%	0.25	C	C	.	.			trans	-79.9	137.7	-176.4	-59.8	-77.4	0	0	0	113.1	A53 V335 N336 P347 K354 V378 V380 Y383 G386	A53-F388 HydrophobicContact CB-CZ 4.06Å; V335-F388 HydrophobicContact CG1-CB 4.27Å; V335-F388 HydrophobicContact CG1-CD1 3.76Å; V335-F388 HydrophobicContact CG1-CG 4.33Å; N336-F388 VanDerWaalsContact C-CE1 3.46Å; N336-F388 WeakPolarHBondContact O-CE1 3.22Å; P347-F388 HydrophobicContact CB-CD1 3.88Å; P347-F388 HydrophobicContact CB-CE1 3.69Å; P347-F388 HydrophobicContact CB-CG 4.42Å; P347-F388 HydrophobicContact CB-CZ 4.05Å; P347-F388 HydrophobicContact CG-CE1 4.07Å; P347-F388 HydrophobicContact CG-CZ 4.34Å; K354-F388 WeakPolarHBondContact CE-O 3.3Å; K354-F388 PolarHBondContact NZ-O 2.88Å; V378-F388 HydrophobicContact CG1-CB 3.73Å; V380-F388 HydrophobicContact CB-CD2 4.05Å; V380-F388 HydrophobicContact CB-CE2 4.08Å; V380-F388 HydrophobicContact CB-CG 4.45Å; V380-F388 HydrophobicContact CB-CZ 4.49Å; V380-F388 HydrophobicContact CG1-CE2 4.39Å; V380-F388 HydrophobicContact CG1-CZ 4.37Å; V380-F388 HydrophobicContact CG2-CB 4.12Å; V380-F388 HydrophobicContact CG2-CD1 3.95Å; V380-F388 HydrophobicContact CG2-CD2 3.73Å; V380-F388 HydrophobicContact CG2-CE1 4.3Å; V380-F388 HydrophobicContact CG2-CE2 4.11Å; V380-F388 HydrophobicContact CG2-CG 3.63Å; V380-F388 HydrophobicContact CG2-CZ 4.38Å; Y383-F388 HydrophobicContact CG-CE2 4.42Å; Y383-F388 HydrophobicContact CG-CZ 4.48Å; G386-F388 PolarHBondContact O-N 2.96Å
389	V	98.7	Very high	97.3	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	25%	0.25	C	C	.	.			trans	-132	130.1	161.7	179.1	0	0	0	0	105.7	L348 K354 V357 I361 P411	L348-V389 HydrophobicContact CD1-CB 4.17Å; L348-V389 HydrophobicContact CD1-CG2 3.61Å; K354-V389 HydrophobicContact CG-CG2 3.91Å; V357-V389 HydrophobicContact CG1-CG1 4.03Å; V357-V389 HydrophobicContact CG1-CG2 4.28Å; I361-V389 HydrophobicContact CD1-CG1 4.25Å; V389-P411 HydrophobicContact CB-CG 4.03Å; V389-P411 HydrophobicContact CG1-CG 4.08Å; V389-P411 WeakPolarHBondContact O-CG 3.08Å
390	G	98.5	Very high	97.4	Very high	3 Å²	3	44.7 Å²	44.7	3%	0.031	24%	0.241	C	C	.	.			trans	-77.1	166.8	177.8	0	0	0	0	0	112.3	G375 T392	G375-G390 PolarHBondContact O-N 3.2Å; G390-T392 PolarHBondContact O-N 3.33Å; G390-T392 PolarHBondContact O-OG1 3.23Å; G390-T392 VanDerWaalsContact O-OG1 3.13Å
391	P	98.7	Very high	97.5	Very high	11 Å²	11	44.9 Å²	44.9	7%	0.071	24%	0.241	C	C	.	.			trans	-48.8	129.6	169.5	-23.3	31.6	0	0	0	110.4	F300 A330 L333 V345 L373 P411	F300-P391 HydrophobicContact CD1-CB 3.82Å; F300-P391 HydrophobicContact CD2-CB 4.47Å; F300-P391 HydrophobicContact CE1-CB 3.79Å; F300-P391 HydrophobicContact CE2-CB 4.45Å; F300-P391 HydrophobicContact CG-CB 4.17Å; F300-P391 HydrophobicContact CZ-CB 4.12Å; A330-P391 HydrophobicContact CB-CB 4.3Å; L333-P391 HydrophobicContact CB-CG 3.93Å; L333-P391 HydrophobicContact CD1-CB 4.32Å; L333-P391 HydrophobicContact CD1-CG 3.74Å; L333-P391 HydrophobicContact CG-CG 4.4Å; V345-P391 HydrophobicContact CG2-CG 4.35Å; L373-P391 HydrophobicContact CD2-CB 3.96Å; L373-P391 WeakPolarHBondContact CD2-O 3.43Å; L373-P391 VanDerWaalsContact CG-O 3.27Å; L373-P391 WeakPolarHBondContact CG-O 3.21Å; P391-P411 WeakPolarHBondContact CA-O 3.44Å
392	T	98.9	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.5	-179.5	-60.3	0	0	0	0	109.1	I361 L371 L373 G375 G390 I394 P411 V412 L413	I361-T392 HydrophobicContact CD1-CG2 4Å; I361-T392 HydrophobicContact CG1-CG2 4.11Å; I361-T392 HydrophobicContact CG2-CG2 3.98Å; L371-T392 HydrophobicContact CD2-CG2 4.17Å; L373-T392 CarbonylContact O-C 3.52Å; L373-T392 VanDerWaalsContact O-CA 3.26Å; L373-T392 WeakPolarHBondContact O-CA 3.5Å; L373-T392 VanDerWaalsContact O-CG2 3.28Å; L373-T392 WeakPolarHBondContact O-CG2 3.13Å; G375-T392 WeakPolarHBondContact CA-OG1 3.28Å; G375-T392 PolarHBondContact N-OG1 3.12Å; G390-T392 PolarHBondContact O-N 3.33Å; G390-T392 PolarHBondContact O-OG1 3.23Å; G390-T392 VanDerWaalsContact O-OG1 3.13Å; T392-I394 HydrophobicContact CG2-CG1 4.16Å; T392-P411 PolarHBondContact N-O 2.86Å; T392-V412 HydrophobicContact CG2-CG1 4.09Å; T392-V412 CarbonylContact O-C 3.49Å; T392-V412 WeakPolarHBondContact O-CA 3.42Å; T392-L413 PolarHBondContact O-N 2.68Å
393	I	98.9	Very high	97.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122.4	177.1	-65.3	170.7	0	0	0	108.8	F300 L323 L326 V327 A330 L372 L373 L413 V415	F300-I393 HydrophobicContact CZ-CD1 4.37Å; F300-I393 HydrophobicContact CZ-CG1 3.95Å; L323-I393 HydrophobicContact CD1-CG2 4.25Å; L326-I393 HydrophobicContact CG-CD1 4.37Å; V327-I393 HydrophobicContact CB-CD1 4.24Å; V327-I393 HydrophobicContact CG2-CB 4.35Å; V327-I393 HydrophobicContact CG2-CD1 3.7Å; V327-I393 HydrophobicContact CG2-CG2 4.15Å; A330-I393 HydrophobicContact CB-CD1 3.67Å; L372-I393 HydrophobicContact CB-CG2 4.33Å; L372-I393 HydrophobicContact CD1-CG2 4.41Å; L372-I393 PolarHBondContact N-O 3.22Å; L373-I393 HydrophobicContact CB-CB 4.2Å; L373-I393 HydrophobicContact CB-CG1 4.49Å; L373-I393 PolarHBondContact N-O 2.85Å; L373-I393 PolarHBondContact O-N 3.34Å; I393-L413 WeakPolarHBondContact CA-O 3.49Å; I393-L413 HydrophobicContact CG1-CB 4.28Å; I393-V415 HydrophobicContact CG2-CG2 3.95Å
394	I	98.6	Very high	97.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.2	179.9	-39.6	-172.9	0	0	0	108.1	I361 A369 Q370 L371 T392 V397 V412 L413 V414 V415	I361-I394 HydrophobicContact CG1-CD1 4.47Å; I361-I394 HydrophobicContact CG2-CD1 4.4Å; A369-I394 HydrophobicContact CB-CG2 3.57Å; Q370-I394 CarbonylContact O-C 3.43Å; Q370-I394 WeakPolarHBondContact O-CA 3.42Å; L371-I394 HydrophobicContact CD2-CB 4.38Å; L371-I394 HydrophobicContact CD2-CD1 4.14Å; L371-I394 HydrophobicContact CD2-CG1 3.73Å; L371-I394 HydrophobicContact CD2-CG2 4.23Å; T392-I394 HydrophobicContact CG2-CG1 4.16Å; I394-V397 HydrophobicContact CB-CG2 4.12Å; I394-V397 HydrophobicContact CG2-CG2 3.62Å; I394-V412 HydrophobicContact CD1-CG1 3.74Å; I394-V412 HydrophobicContact CG1-CG1 3.91Å; I394-L413 PolarHBondContact N-O 3.05Å; I394-V414 CarbonylContact O-C 3.53Å; I394-V415 PolarHBondContact O-N 2.9Å
395	C	97.8	Very high	97.6	Very high	7 Å²	7	32.5 Å²	32.5	5%	0.047	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	178.5	175.5	78.1	0	0	0	0	111.3	L323 Q370 L372 V397 V415	L323-C395 HydrophobicContact CD2-CB 3.96Å; Q370-C395 PolarHBondContact N-O 3.08Å; Q370-C395 PolarHBondContact O-N 2.83Å; L372-C395 HydrophobicContact CD1-CB 3.82Å; L372-C395 VanDerWaalsContact CD1-SG 3.58Å; L372-C395 HydrophobicContact CG-CB 4.2Å; L372-C395 VanDerWaalsContact CG-SG 3.55Å; C395-V397 PolarHBondContact O-N 3.4Å; C395-V415 HydrophobicContact CB-CB 4.32Å
396	N	95.8	Very high	97.6	Very high	94 Å²	94	29.3 Å²	29.3	50%	0.503	15%	0.154	S	C	.	.	S	Bend	trans	56	32.9	-171.3	-56.4	-19.2	0	0	0	112.3	Q370 M401	Q370-N396 PolarHBondContact OE1-ND2 2.96Å; N396-M401 WeakPolarHBondContact O-CE 3.49Å
397	V	97.4	Very high	97.5	Very high	9 Å²	9	30.9 Å²	30.9	6%	0.055	16%	0.161	C	C	.	.			trans	-86.2	133.6	-179.1	176.7	0	0	0	0	110.3	A369 I394 C395 M401 V414	A369-V397 HydrophobicContact CB-CG2 3.82Å; I394-V397 HydrophobicContact CB-CG2 4.12Å; I394-V397 HydrophobicContact CG2-CG2 3.62Å; C395-V397 PolarHBondContact O-N 3.4Å; V397-M401 HydrophobicContact CB-SD 4.17Å; V397-M401 HydrophobicContact CG1-CB 4.21Å; V397-M401 HydrophobicContact CG1-SD 3.89Å; V397-M401 HydrophobicContact CG2-SD 4.32Å; V397-V414 HydrophobicContact CB-CG1 3.64Å; V397-V414 HydrophobicContact CG1-CG1 3.54Å; V397-V414 HydrophobicContact CG2-CG1 3.8Å
398	T	96.6	Very high	97.5	Very high	60 Å²	60	31 Å²	31	37%	0.368	16%	0.162	S	C	.	.			trans	-103.2	155.7	173.4	68.1	0	0	0	0	111.3	Q400 M401	T398-Q400 PolarHBondContact O-N 2.85Å; T398-Q400 PolarHBondContact OG1-OE1 2.89Å; T398-M401 HydrophobicContact CG2-CE 4.15Å; T398-M401 PolarHBondContact N-SD 3.11Å; T398-M401 WeakPolarHBondContact O-CB 3.45Å; T398-M401 PolarHBondContact O-N 2.92Å; T398-M401 VanDerWaalsContact O-N 3.09Å; T398-M401 WeakPolarHBondContact OG1-CG 3.29Å
399	P	96.5	Very high	97.5	Very high	44 Å²	44	33.1 Å²	33.1	29%	0.286	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-9.3	-179.5	-26.6	36.5	0	0	0	116.1	Y404 T405 L416 L427	P399-Y404 VanDerWaalsContact CA-CD1 3.42Å; P399-Y404 HydrophobicContact CB-CD1 4.1Å; P399-Y404 HydrophobicContact CB-CE1 3.77Å; P399-Y404 VanDerWaalsContact O-CD1 3.29Å; P399-Y404 WeakPolarHBondContact O-CD1 3.49Å; P399-T405 VanDerWaalsContact O-CG2 3.24Å; P399-T405 WeakPolarHBondContact O-CG2 3.35Å; P399-L416 HydrophobicContact CG-CD2 4.12Å; P399-L427 HydrophobicContact CG-CD2 3.71Å
400	Q	96.5	Very high	97.4	Very high	148 Å²	148	33.3 Å²	33.3	69%	0.692	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-17.4	178.7	-62.3	72.6	34.7	0	0	112.6	T398	T398-Q400 PolarHBondContact O-N 2.85Å; T398-Q400 PolarHBondContact OG1-OE1 2.89Å
401	M	98.3	Very high	97.4	Very high	15 Å²	15	33.2 Å²	33.2	7%	0.074	17%	0.172	C	C	.	.	S	Bend	trans	-67.1	142.2	-177.8	-69.3	-178.3	-177	0	0	111.5	E367 A369 N396 V397 T398 C403 Y404 T405	E367-M401 HydrophobicContact CB-CG 3.97Å; E367-M401 HydrophobicContact CB-SD 4.39Å; E367-M401 WeakPolarHBondContact O-CE 3.4Å; E367-M401 WeakPolarHBondContact OE2-CA 3.25Å; E367-M401 WeakPolarHBondContact OE2-CB 3.27Å; A369-M401 HydrophobicContact CB-CE 4.3Å; A369-M401 HydrophobicContact CB-SD 3.83Å; N396-M401 WeakPolarHBondContact O-CE 3.49Å; V397-M401 HydrophobicContact CB-SD 4.17Å; V397-M401 HydrophobicContact CG1-CB 4.21Å; V397-M401 HydrophobicContact CG1-SD 3.89Å; V397-M401 HydrophobicContact CG2-SD 4.32Å; T398-M401 HydrophobicContact CG2-CE 4.15Å; T398-M401 PolarHBondContact N-SD 3.11Å; T398-M401 WeakPolarHBondContact O-CB 3.45Å; T398-M401 PolarHBondContact O-N 2.92Å; T398-M401 VanDerWaalsContact O-N 3.09Å; T398-M401 WeakPolarHBondContact OG1-CG 3.29Å; M401-C403 VanDerWaalsContact C-N 3.28Å; M401-C403 PolarHBondContact O-N 2.84Å; M401-Y404 WeakPolarHBondContact O-CA 3.45Å; M401-Y404 WeakPolarHBondContact O-CB 3.48Å; M401-Y404 PolarHBondContact O-N 3.18Å; M401-T405 PolarHBondContact O-N 2.9Å; M401-T405 PolarHBondContact O-OG1 2.88Å
402	K	97.6	Very high	97.4	Very high	87 Å²	87	32.8 Å²	32.8	38%	0.378	17%	0.169	S	C	.	.	H	α-helix	trans	-61	-37.3	179.1	-171.1	-179.7	-173.3	-179.3	0	112.4	L360 E367 Y404 T405 E406	L360-K402 HydrophobicContact CD2-CD 4.23Å; L360-K402 HydrophobicContact CD2-CG 3.93Å; E367-K402 VanDerWaalsContact OE1-CB 3.31Å; E367-K402 WeakPolarHBondContact OE1-CB 3.32Å; E367-K402 PolarHBondContact OE1-N 2.84Å; E367-K402 PolarHBondContact OE2-N 2.81Å; K402-Y404 PolarHBondContact O-N 3.41Å; K402-T405 WeakPolarHBondContact CA-OG1 3.46Å; K402-T405 PolarHBondContact O-N 3.29Å; K402-E406 WeakPolarHBondContact CE-OE1 3.28Å; K402-E406 HydrophobicContact CG-CG 4.23Å; K402-E406 IonicContact NZ-OE1 2.73Å; K402-E406 PolarHBondContact O-N 3.44Å
403	C	96.4	Very high	97.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-20.9	175.4	68.8	0	0	0	0	113	K277 L360 M401 I408	K277-C403 PolarHBondContact NZ-O 3.32Å; L360-C403 VanDerWaalsContact O-CB 3.3Å; L360-C403 WeakPolarHBondContact O-CB 3.38Å; M401-C403 VanDerWaalsContact C-N 3.28Å; M401-C403 PolarHBondContact O-N 2.84Å; C403-I408 WeakPolarHBondContact O-CD1 3.26Å
404	Y	97.8	Very high	97.4	Very high	8 Å²	8	32.8 Å²	32.8	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-91.4	-47.9	173.1	177.5	-94.9	0	0	0	112.7	K277 H279 T312 P399 M401 K402 E406 V414 L416 L427	K277-Y404 WeakPolarHBondContact CD-O 3.4Å; K277-Y404 WeakPolarHBondContact CE-O 3.45Å; K277-Y404 PolarHBondContact NZ-O 3.29Å; H279-Y404 AromaticContact NE2-CE2 3.46Å; H279-Y404 WeakPolarHBondContact NE2-CE2 3.23Å; H279-Y404 AromaticContact NE2-CZ 3.55Å; H279-Y404 PolarHBondContact NE2-OH 2.91Å; T312-Y404 HydrophobicContact CG2-CD2 4.45Å; T312-Y404 HydrophobicContact CG2-CE2 4.09Å; P399-Y404 VanDerWaalsContact CA-CD1 3.42Å; P399-Y404 HydrophobicContact CB-CD1 4.1Å; P399-Y404 HydrophobicContact CB-CE1 3.77Å; P399-Y404 VanDerWaalsContact O-CD1 3.29Å; P399-Y404 WeakPolarHBondContact O-CD1 3.49Å; M401-Y404 WeakPolarHBondContact O-CA 3.45Å; M401-Y404 WeakPolarHBondContact O-CB 3.48Å; M401-Y404 PolarHBondContact O-N 3.18Å; K402-Y404 PolarHBondContact O-N 3.41Å; Y404-E406 PolarHBondContact O-N 3.43Å; Y404-V414 HydrophobicContact CD2-CG1 4.35Å; Y404-L416 HydrophobicContact CD2-CD1 3.85Å; Y404-L416 HydrophobicContact CD2-CD2 4.32Å; Y404-L416 HydrophobicContact CE2-CD1 3.69Å; Y404-L416 HydrophobicContact CE2-CD2 4Å; Y404-L427 PolarHBondContact OH-O 3.06Å
405	T	95.9	Very high	97.4	Very high	60 Å²	60	32.9 Å²	32.9	37%	0.368	17%	0.17	S	C	.	.	H	α-helix	trans	-71.3	-31.9	-172.5	54.4	0	0	0	0	112.9	P399 M401 K402	P399-T405 VanDerWaalsContact O-CG2 3.24Å; P399-T405 WeakPolarHBondContact O-CG2 3.35Å; M401-T405 PolarHBondContact O-N 2.9Å; M401-T405 PolarHBondContact O-OG1 2.88Å; K402-T405 WeakPolarHBondContact CA-OG1 3.46Å; K402-T405 PolarHBondContact O-N 3.29Å
406	E	95.3	Very high	97.4	Very high	58 Å²	58	32.9 Å²	32.9	27%	0.271	17%	0.169	S	C	.	.	S	Bend	trans	-90.6	146.2	175.4	-66.4	-167.6	-154.1	0	0	112.7	K277 R356 L360 K402 Y404 I408	K277-E406 PolarHBondContact NZ-O 2.9Å; R356-E406 IonicContact CZ-OE2 3.59Å; R356-E406 VanDerWaalsContact CZ-OE2 3.28Å; R356-E406 IonicContact NH1-OE2 3.29Å; R356-E406 PolarHBondContact NH1-OE2 3.25Å; R356-E406 IonicContact NH2-OE2 3.68Å; R356-E406 PolarHBondContact NH2-OE2 3.05Å; L360-E406 HydrophobicContact CD1-CB 4.46Å; L360-E406 HydrophobicContact CD2-CB 4.06Å; L360-E406 HydrophobicContact CD2-CG 4.5Å; K402-E406 WeakPolarHBondContact CE-OE1 3.28Å; K402-E406 HydrophobicContact CG-CG 4.23Å; K402-E406 IonicContact NZ-OE1 2.73Å; K402-E406 PolarHBondContact O-N 3.44Å; Y404-E406 PolarHBondContact O-N 3.43Å; E406-I408 PolarHBondContact O-N 3.26Å
407	E	96.4	Very high	97.5	Very high	35 Å²	35	32.7 Å²	32.7	16%	0.164	17%	0.165	C	C	.	.			trans	-71.3	117.9	166.8	-175.1	175.1	-140.9	0	0	109.2	G275 A276 R356 F409	G275-E407 WeakPolarHBondContact CA-OE2 3.33Å; A276-E407 PolarHBondContact N-OE1 2.86Å; A276-E407 WeakPolarHBondContact O-CB 3.28Å; A276-E407 VanDerWaalsContact O-CG 3.28Å; A276-E407 WeakPolarHBondContact O-CG 3.32Å; R356-E407 PolarHBondContact NH2-O 3.5Å; E407-F409 HydrophobicContact CG-CB 4.33Å; E407-F409 HydrophobicContact CG-CD2 4.06Å
408	I	97.8	Very high	97.6	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	17%	0.165	C	C	.	.			trans	-75.9	-43.4	-178.5	-59.3	172.5	0	0	0	110.7	V357 L360 C403 E406 G410 V412 V414	V357-I408 HydrophobicContact CB-CG2 4.46Å; V357-I408 HydrophobicContact CG1-CG2 4.11Å; V357-I408 HydrophobicContact CG2-CG2 4.12Å; L360-I408 HydrophobicContact CB-CG1 4.27Å; L360-I408 HydrophobicContact CD1-CB 4.18Å; L360-I408 HydrophobicContact CD1-CG1 3.99Å; L360-I408 HydrophobicContact CD1-CG2 4.32Å; C403-I408 WeakPolarHBondContact O-CD1 3.26Å; E406-I408 PolarHBondContact O-N 3.26Å; I408-G410 VanDerWaalsContact C-N 3.31Å; I408-G410 PolarHBondContact O-N 2.91Å; I408-V412 HydrophobicContact CD1-CB 3.96Å; I408-V412 HydrophobicContact CD1-CG1 3.77Å; I408-V412 HydrophobicContact CG2-CB 4.07Å; I408-V412 HydrophobicContact CG2-CG2 3.82Å; I408-V414 HydrophobicContact CD1-CG2 4.2Å
409	F	98.2	Very high	97.6	Very high	50 Å²	50	36.2 Å²	36.2	22%	0.219	18%	0.178	C	C	.	.			trans	56.7	41.5	-179.3	-141.5	-106.6	0	0	0	113.8	F175 N176 Q305 E407	F175-F409 HydrophobicContact CE1-CE1 4.13Å; F175-F409 HydrophobicContact CE2-CE1 4.24Å; F175-F409 AromaticContact CZ-CD1 3.95Å; F175-F409 HydrophobicContact CZ-CD1 3.95Å; F175-F409 AromaticContact CZ-CE1 3.52Å; F175-F409 HydrophobicContact CZ-CE1 3.52Å; N176-F409 HydrophobicContact CB-CE1 4.1Å; N176-F409 HydrophobicContact CB-CZ 4.08Å; Q305-F409 VanDerWaalsContact C-CZ 3.43Å; Q305-F409 HydrophobicContact CB-CD1 3.89Å; Q305-F409 HydrophobicContact CB-CE1 3.67Å; Q305-F409 HydrophobicContact CB-CZ 4.4Å; Q305-F409 HydrophobicContact CG-CD1 4.03Å; Q305-F409 HydrophobicContact CG-CE1 4.27Å; Q305-F409 WeakPolarHBondContact CG-O 3.29Å; Q305-F409 WeakPolarHBondContact O-CZ 3.43Å; E407-F409 HydrophobicContact CG-CB 4.33Å; E407-F409 HydrophobicContact CG-CD2 4.06Å
410	G	98.3	Very high	97.7	Very high	5 Å²	5	36.1 Å²	36.1	5%	0.052	18%	0.178	C	C	.	.	S	Bend	trans	-147.7	179	177.7	0	0	0	0	0	111.1	A303 I408 V412	A303-G410 CarbonylContact O-C 3.59Å; A303-G410 VanDerWaalsContact O-CA 3.23Å; A303-G410 WeakPolarHBondContact O-CA 3.22Å; I408-G410 VanDerWaalsContact C-N 3.31Å; I408-G410 PolarHBondContact O-N 2.91Å; G410-V412 PolarHBondContact O-N 2.84Å
411	P	98.4	Very high	97.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-77.7	62.4	-174.6	31.6	-32.9	0	0	0	111.1	F300 A303 V345 V389 P391 T392	F300-P411 HydrophobicContact CD1-CB 3.9Å; F300-P411 WeakPolarHBondContact CD1-O 3.36Å; F300-P411 VanDerWaalsContact CE1-O 3.31Å; F300-P411 WeakPolarHBondContact CE1-O 3.47Å; A303-P411 HydrophobicContact CB-CG 4.49Å; A303-P411 VanDerWaalsContact O-CD 3.22Å; A303-P411 WeakPolarHBondContact O-CD 3.22Å; A303-P411 VanDerWaalsContact O-N 3.08Å; V345-P411 HydrophobicContact CG1-CB 4.22Å; V345-P411 HydrophobicContact CG1-CG 4.46Å; V389-P411 HydrophobicContact CB-CG 4.03Å; V389-P411 HydrophobicContact CG1-CG 4.08Å; V389-P411 WeakPolarHBondContact O-CG 3.08Å; P391-P411 WeakPolarHBondContact CA-O 3.44Å; T392-P411 PolarHBondContact N-O 2.86Å
412	V	98.8	Very high	97.8	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.4	-175	-170.9	0	0	0	0	109.6	V357 I361 T392 I394 I408 G410	V357-V412 HydrophobicContact CG1-CG2 3.89Å; I361-V412 HydrophobicContact CD1-CG2 3.72Å; I361-V412 HydrophobicContact CG1-CG1 4.25Å; I361-V412 HydrophobicContact CG1-CG2 3.8Å; T392-V412 HydrophobicContact CG2-CG1 4.09Å; T392-V412 CarbonylContact O-C 3.49Å; T392-V412 WeakPolarHBondContact O-CA 3.42Å; I394-V412 HydrophobicContact CD1-CG1 3.74Å; I394-V412 HydrophobicContact CG1-CG1 3.91Å; I408-V412 HydrophobicContact CD1-CB 3.96Å; I408-V412 HydrophobicContact CD1-CG1 3.77Å; I408-V412 HydrophobicContact CG2-CB 4.07Å; I408-V412 HydrophobicContact CG2-CG2 3.82Å; G410-V412 PolarHBondContact O-N 2.84Å
413	L	98.8	Very high	97.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121.1	172.6	-179.9	61.2	0	0	0	109.8	A299 F300 L310 A313 L326 T392 I393 I394 V415	A299-L413 HydrophobicContact CB-CB 4.05Å; A299-L413 HydrophobicContact CB-CD1 4.12Å; A299-L413 HydrophobicContact CB-CD2 4.38Å; A299-L413 HydrophobicContact CB-CG 4.42Å; F300-L413 HydrophobicContact CE1-CB 4.33Å; F300-L413 HydrophobicContact CZ-CB 3.9Å; L310-L413 HydrophobicContact CD2-CD1 4.48Å; L310-L413 WeakPolarHBondContact O-CD1 3.48Å; A313-L413 HydrophobicContact CB-CD1 4.14Å; A313-L413 HydrophobicContact CB-CD2 4.46Å; L326-L413 HydrophobicContact CD2-CD2 3.79Å; L326-L413 HydrophobicContact CG-CD2 4.43Å; T392-L413 PolarHBondContact O-N 2.68Å; I393-L413 WeakPolarHBondContact CA-O 3.49Å; I393-L413 HydrophobicContact CG1-CB 4.28Å; I394-L413 PolarHBondContact N-O 3.05Å; L413-V415 HydrophobicContact CG-CG2 4.29Å
414	V	98.6	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	135	170	168.7	0	0	0	0	109	S311 T312 A313 I394 V397 Y404 I408 L416	S311-V414 PolarHBondContact O-N 2.93Å; T312-V414 CarbonylContact C-O 3.53Å; T312-V414 VanDerWaalsContact CA-O 3.24Å; T312-V414 WeakPolarHBondContact CA-O 3.49Å; T312-V414 HydrophobicContact CG2-CG1 4.38Å; A313-V414 PolarHBondContact N-O 3.34Å; I394-V414 CarbonylContact O-C 3.53Å; V397-V414 HydrophobicContact CB-CG1 3.64Å; V397-V414 HydrophobicContact CG1-CG1 3.54Å; V397-V414 HydrophobicContact CG2-CG1 3.8Å; Y404-V414 HydrophobicContact CD2-CG1 4.35Å; I408-V414 HydrophobicContact CD1-CG2 4.2Å; V414-L416 HydrophobicContact CG1-CD1 3.86Å
415	V	98.6	Very high	98	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.018	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.6	179.1	-174.9	0	0	0	0	109.7	A313 L315 L323 I393 I394 C395 L413	A313-V415 WeakPolarHBondContact O-CA 3.44Å; L315-V415 HydrophobicContact CD1-CG1 3.86Å; L315-V415 HydrophobicContact CG-CG1 4.03Å; L323-V415 HydrophobicContact CD1-CB 4.42Å; L323-V415 HydrophobicContact CD1-CG1 4.16Å; L323-V415 HydrophobicContact CD1-CG2 3.89Å; L323-V415 HydrophobicContact CD2-CG1 4.36Å; I393-V415 HydrophobicContact CG2-CG2 3.95Å; I394-V415 PolarHBondContact O-N 2.9Å; C395-V415 HydrophobicContact CB-CB 4.32Å; L413-V415 HydrophobicContact CG-CG2 4.29Å
416	L	98.4	Very high	98.1	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	161.2	168.5	-64.1	93.7	0	0	0	109.6	T312 A313 I314 L315 P399 Y404 V414 L427	T312-L416 HydrophobicContact CG2-CD1 3.12Å; A313-L416 PolarHBondContact O-N 2.87Å; I314-L416 WeakPolarHBondContact CA-O 3.34Å; I314-L416 HydrophobicContact CG1-CB 4.45Å; L315-L416 PolarHBondContact N-O 2.97Å; P399-L416 HydrophobicContact CG-CD2 4.12Å; Y404-L416 HydrophobicContact CD2-CD1 3.85Å; Y404-L416 HydrophobicContact CD2-CD2 4.32Å; Y404-L416 HydrophobicContact CE2-CD1 3.69Å; Y404-L416 HydrophobicContact CE2-CD2 4Å; V414-L416 HydrophobicContact CG1-CD1 3.86Å; L416-L427 HydrophobicContact CD2-CD2 4.42Å
417	E	97.8	Very high	98.2	Very high	90 Å²	90	30.1 Å²	30.1	42%	0.421	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	146.7	174.4	-59.5	-169.2	168.6	0	0	110	L315 R320	L315-E417 WeakPolarHBondContact O-CA 3.37Å; R320-E417 VanDerWaalsContact CD-OE2 3.3Å; R320-E417 WeakPolarHBondContact CD-OE2 3.25Å; R320-E417 HydrophobicContact CG-CB 4.3Å; R320-E417 HydrophobicContact CG-CG 3.97Å; R320-E417 IonicContact CZ-OE2 2.89Å; R320-E417 IonicContact NE-OE2 3.83Å; R320-E417 IonicContact NH1-OE2 3.91Å; R320-E417 PolarHBondContact NH1-OE2 2.82Å
418	A	97.9	Very high	98.3	Very high	5 Å²	5	28.5 Å²	28.5	4%	0.041	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	145.3	174.5	0	0	0	0	0	110.6	I314 L315 V316 G317 R320 D423 A424 L427	I314-A418 HydrophobicContact CG2-CB 3.66Å; L315-A418 PolarHBondContact O-N 3.2Å; V316-A418 WeakPolarHBondContact CA-O 3.21Å; V316-A418 HydrophobicContact CG2-CB 4.35Å; G317-A418 PolarHBondContact N-O 3.15Å; R320-A418 PolarHBondContact NH2-O 2.91Å; A418-D423 HydrophobicContact CB-CB 4.14Å; A418-A424 HydrophobicContact CB-CB 4.01Å; A418-L427 HydrophobicContact CB-CD1 4.24Å
419	E	97.5	Very high	98.4	Very high	138 Å²	138	30.3 Å²	30.3	65%	0.645	16%	0.162	S	C	*	.	S	Bend	trans	-76.3	-36.7	179.3	-62.8	-57.8	141.5	0	0	111.3	R320	R320-E419 IonicContact CZ-OE1 2.7Å; R320-E419 IonicContact NH1-OE1 2.6Å; R320-E419 PolarHBondContact NH1-OE1 2.82Å; R320-E419 IonicContact NH2-OE1 2.71Å; R320-E419 PolarHBondContact NH2-OE1 2.82Å; R320-E419 IonicContact NH2-OE2 3.09Å; R320-E419 PolarHBondContact NH2-OE2 3.01Å
420	S	98.3	Very high	98.3	Very high	42 Å²	42	34.4 Å²	34.4	29%	0.294	19%	0.186	S	C	.	.	S	Bend	trans	-138.1	169.7	-176.9	74.4	0	0	0	0	113.3	D422 D423 A424	S420-D422 VanDerWaalsContact C-N 3.3Å; S420-D422 PolarHBondContact O-N 3.31Å; S420-D422 PolarHBondContact OG-N 3.22Å; S420-D423 WeakPolarHBondContact CB-OD2 3.47Å; S420-D423 PolarHBondContact N-OD2 2.94Å; S420-D423 PolarHBondContact O-N 3.25Å; S420-D423 PolarHBondContact OG-N 2.99Å; S420-D423 PolarHBondContact OG-OD2 3.33Å; S420-A424 PolarHBondContact O-N 2.91Å
421	L	98.6	Very high	98.2	Very high	18 Å²	18	34.4 Å²	34.4	9%	0.094	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	-38.6	170.6	175.6	64.4	0	0	0	112.3	M283 D423 A424 I425 I439 T446 K449 Y450	M283-L421 HydrophobicContact CE-CB 4.11Å; M283-L421 HydrophobicContact SD-CB 4.32Å; M283-L421 HydrophobicContact SD-CD1 3.97Å; L421-D423 VanDerWaalsContact C-N 3.34Å; L421-A424 PolarHBondContact O-N 2.82Å; L421-I425 HydrophobicContact CD1-CD1 4.07Å; L421-I425 HydrophobicContact CD1-CG1 4.26Å; L421-I425 HydrophobicContact CD2-CD1 4.49Å; L421-I425 HydrophobicContact CG-CD1 3.85Å; L421-I425 HydrophobicContact CG-CG1 4.46Å; L421-I425 VanDerWaalsContact O-CG1 3.27Å; L421-I425 WeakPolarHBondContact O-CG1 3.19Å; L421-I425 PolarHBondContact O-N 2.85Å; L421-I439 HydrophobicContact CD1-CD1 3.76Å; L421-T446 HydrophobicContact CD1-CG2 4.27Å; L421-T446 HydrophobicContact CD2-CG2 3.8Å; L421-K449 HydrophobicContact CD2-CB 4.4Å; L421-K449 HydrophobicContact CD2-CD 3.91Å; L421-K449 HydrophobicContact CD2-CG 4.23Å; L421-Y450 HydrophobicContact CD1-CD2 4.01Å
422	D	98.6	Very high	98	Very high	61 Å²	61	38.4 Å²	38.4	33%	0.326	21%	0.211	S	C	.	.	H	α-helix	trans	-70.2	-33.5	-179.1	-71.1	-56.6	0	0	0	111.2	S420 S426 K449 K453	S420-D422 VanDerWaalsContact C-N 3.3Å; S420-D422 PolarHBondContact O-N 3.31Å; S420-D422 PolarHBondContact OG-N 3.22Å; D422-S426 WeakPolarHBondContact O-CB 3.36Å; D422-S426 PolarHBondContact O-N 3.27Å; D422-S426 PolarHBondContact O-OG 3.4Å; D422-K449 WeakPolarHBondContact OD1-CE 3.36Å; D422-K449 IonicContact OD1-NZ 3.39Å; D422-K449 PolarHBondContact OD1-NZ 3.25Å; D422-K449 IonicContact OD2-NZ 3.2Å; D422-K449 PolarHBondContact OD2-NZ 2.96Å; D422-K453 IonicContact OD1-NZ 2.68Å; D422-K453 PolarHBondContact OD1-NZ 3.08Å; D422-K453 VanDerWaalsContact OD1-NZ 3.09Å
423	D	98.3	Very high	97.9	Very high	72 Å²	72	39.7 Å²	39.7	39%	0.385	22%	0.216	S	C	.	.	H	α-helix	trans	-66.7	-44.1	172.2	-56.5	-44.4	0	0	0	111	A418 S420 L421 I425 S426 L427	A418-D423 HydrophobicContact CB-CB 4.14Å; S420-D423 WeakPolarHBondContact CB-OD2 3.47Å; S420-D423 PolarHBondContact N-OD2 2.94Å; S420-D423 PolarHBondContact O-N 3.25Å; S420-D423 PolarHBondContact OG-N 2.99Å; S420-D423 PolarHBondContact OG-OD2 3.33Å; L421-D423 VanDerWaalsContact C-N 3.34Å; D423-I425 PolarHBondContact O-N 2.77Å; D423-S426 WeakPolarHBondContact O-CB 3.42Å; D423-S426 PolarHBondContact O-N 2.86Å; D423-S426 VanDerWaalsContact O-N 3.15Å; D423-L427 WeakPolarHBondContact O-CG 3.26Å; D423-L427 PolarHBondContact O-N 2.88Å
424	A	98.6	Very high	97.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-45.1	176.1	0	0	0	0	0	111.6	V281 I314 V316 A418 S420 L421 S426 L427 V428	V281-A424 HydrophobicContact CG1-CB 3.7Å; V281-A424 HydrophobicContact CG2-CB 4.13Å; I314-A424 HydrophobicContact CG2-CB 3.98Å; V316-A424 HydrophobicContact CG2-CB 4.01Å; A418-A424 HydrophobicContact CB-CB 4.01Å; S420-A424 PolarHBondContact O-N 2.91Å; L421-A424 PolarHBondContact O-N 2.82Å; A424-S426 VanDerWaalsContact C-N 3.3Å; A424-S426 PolarHBondContact O-N 3.31Å; A424-L427 PolarHBondContact O-N 3.48Å; A424-V428 WeakPolarHBondContact O-CG2 3.47Å; A424-V428 PolarHBondContact O-N 3.23Å; A424-V428 VanDerWaalsContact O-N 3.12Å
425	I	98.8	Very high	97.6	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.036	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-43	173.9	-70.9	163.8	0	0	0	110.6	L421 D423 L427 V428 N429 Y450 K453	L421-I425 HydrophobicContact CD1-CD1 4.07Å; L421-I425 HydrophobicContact CD1-CG1 4.26Å; L421-I425 HydrophobicContact CD2-CD1 4.49Å; L421-I425 HydrophobicContact CG-CD1 3.85Å; L421-I425 HydrophobicContact CG-CG1 4.46Å; L421-I425 VanDerWaalsContact O-CG1 3.27Å; L421-I425 WeakPolarHBondContact O-CG1 3.19Å; L421-I425 PolarHBondContact O-N 2.85Å; D423-I425 PolarHBondContact O-N 2.77Å; I425-L427 PolarHBondContact O-N 3Å; I425-V428 PolarHBondContact O-N 2.93Å; I425-N429 WeakPolarHBondContact O-CB 3.36Å; I425-N429 PolarHBondContact O-N 2.75Å; I425-Y450 HydrophobicContact CD1-CD2 4.18Å; I425-Y450 HydrophobicContact CG1-CD2 3.63Å; I425-Y450 HydrophobicContact CG1-CE2 4Å; I425-K453 HydrophobicContact CD1-CB 4.11Å; I425-K453 HydrophobicContact CD1-CD 4.24Å; I425-K453 HydrophobicContact CG2-CB 4.16Å
426	S	98.4	Very high	97.6	Very high	59 Å²	59	39.8 Å²	39.8	41%	0.413	22%	0.217	S	C	.	.	H	α-helix	trans	-62.7	-41.3	178.8	-59	0	0	0	0	112	D422 D423 A424 V428 N429 N430	D422-S426 WeakPolarHBondContact O-CB 3.36Å; D422-S426 PolarHBondContact O-N 3.27Å; D422-S426 PolarHBondContact O-OG 3.4Å; D423-S426 WeakPolarHBondContact O-CB 3.42Å; D423-S426 PolarHBondContact O-N 2.86Å; D423-S426 VanDerWaalsContact O-N 3.15Å; A424-S426 VanDerWaalsContact C-N 3.3Å; A424-S426 PolarHBondContact O-N 3.31Å; S426-V428 PolarHBondContact O-N 3.13Å; S426-N429 PolarHBondContact O-N 3.44Å; S426-N430 VanDerWaalsContact O-CB 3.26Å; S426-N430 WeakPolarHBondContact O-CB 3.4Å; S426-N430 PolarHBondContact O-N 2.97Å; S426-N430 PolarHBondContact O-ND2 3.49Å
427	L	98.1	Very high	97.6	Very high	34 Å²	34	39.7 Å²	39.7	18%	0.178	22%	0.217	C	C	.	.	H	α-helix	trans	-60.6	-43.6	175	-72.6	171.3	0	0	0	112.3	I314 P399 Y404 L416 A418 D423 A424 I425 N431	I314-L427 HydrophobicContact CD1-CB 3.9Å; I314-L427 HydrophobicContact CD1-CD1 4.18Å; I314-L427 HydrophobicContact CG2-CD1 4.22Å; P399-L427 HydrophobicContact CG-CD2 3.71Å; Y404-L427 PolarHBondContact OH-O 3.06Å; L416-L427 HydrophobicContact CD2-CD2 4.42Å; A418-L427 HydrophobicContact CB-CD1 4.24Å; D423-L427 WeakPolarHBondContact O-CG 3.26Å; D423-L427 PolarHBondContact O-N 2.88Å; A424-L427 PolarHBondContact O-N 3.48Å; I425-L427 PolarHBondContact O-N 3Å; L427-N431 PolarHBondContact O-N 3.22Å
428	V	98.3	Very high	97.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-67.4	-45.8	177.4	179.8	0	0	0	0	111.1	H279 V281 I314 A424 I425 S426 N430 N431 V454 V456 R478	H279-V428 HydrophobicContact CB-CG2 3.63Å; V281-V428 HydrophobicContact CG2-CG2 4.16Å; I314-V428 HydrophobicContact CD1-CG2 3.83Å; A424-V428 WeakPolarHBondContact O-CG2 3.47Å; A424-V428 PolarHBondContact O-N 3.23Å; A424-V428 VanDerWaalsContact O-N 3.12Å; I425-V428 PolarHBondContact O-N 2.93Å; S426-V428 PolarHBondContact O-N 3.13Å; V428-N430 VanDerWaalsContact C-N 3.33Å; V428-N430 PolarHBondContact O-N 3.4Å; V428-N431 WeakPolarHBondContact O-CB 3.41Å; V428-N431 PolarHBondContact O-N 3.09Å; V428-V454 HydrophobicContact CB-CG2 4.15Å; V428-V454 HydrophobicContact CG1-CG2 3.55Å; V428-V456 HydrophobicContact CG1-CG2 3.82Å; V428-R478 PolarHBondContact O-NH2 3.39Å
429	N	98.2	Very high	97.7	Very high	44 Å²	44	35.1 Å²	35.1	24%	0.235	20%	0.195	C	C	.	.	H	α-helix	trans	-69.2	-30.8	-177.3	-73.3	1.8	0	0	0	112.5	I425 S426 N431 K453 V454 D455 R478	I425-N429 WeakPolarHBondContact O-CB 3.36Å; I425-N429 PolarHBondContact O-N 2.75Å; S426-N429 PolarHBondContact O-N 3.44Å; N429-N431 VanDerWaalsContact C-N 3.27Å; N429-N431 PolarHBondContact O-N 3.42Å; N429-K453 PolarHBondContact ND2-O 3.29Å; N429-V454 WeakPolarHBondContact OD1-CA 3.36Å; N429-D455 PolarHBondContact OD1-N 2.89Å; N429-R478 PolarHBondContact O-NH1 3.23Å
430	N	97.1	Very high	97.7	Very high	135 Å²	135	28.6 Å²	28.6	72%	0.722	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-13.3	176	-72.4	-21.9	0	0	0	113.6	S426 V428	S426-N430 VanDerWaalsContact O-CB 3.26Å; S426-N430 WeakPolarHBondContact O-CB 3.4Å; S426-N430 PolarHBondContact O-N 2.97Å; S426-N430 PolarHBondContact O-ND2 3.49Å; V428-N430 VanDerWaalsContact C-N 3.33Å; V428-N430 PolarHBondContact O-N 3.4Å
431	N	95.7	Very high	97.7	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.027	15%	0.151	C	C	.	.	S	Bend	trans	-71.5	136.7	172.1	-173.6	-80.7	0	0	0	110.2	L427 V428 N429 Y433 R478	L427-N431 PolarHBondContact O-N 3.22Å; V428-N431 WeakPolarHBondContact O-CB 3.41Å; V428-N431 PolarHBondContact O-N 3.09Å; N429-N431 VanDerWaalsContact C-N 3.27Å; N429-N431 PolarHBondContact O-N 3.42Å; N431-Y433 VanDerWaalsContact C-N 3.26Å; N431-Y433 PolarHBondContact O-N 3.19Å; N431-Y433 WeakPolarHBondContact OD1-CA 3.37Å; N431-Y433 WeakPolarHBondContact OD1-CB 3.28Å; N431-Y433 VanDerWaalsContact OD1-CD2 3.28Å; N431-Y433 WeakPolarHBondContact OD1-CD2 3.37Å; N431-Y433 PolarHBondContact OD1-N 3.24Å; N431-R478 PolarHBondContact O-NH2 3.41Å
432	P	94.7	Very high	97.7	Very high	85 Å²	85	31 Å²	31	55%	0.552	18%	0.178	S	C	*	.	S	Bend	trans	-68.3	-24.1	-178.5	26.8	-35.3	0	0	0	113.6	G479	P432-G479 VanDerWaalsContact O-CA 3.27Å; P432-G479 WeakPolarHBondContact O-CA 3.49Å; P432-G479 PolarHBondContact O-N 3.47Å
433	Y	96.6	Very high	97.7	Very high	29 Å²	29	31.5 Å²	31.5	11%	0.114	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	148	179.8	-58.3	-70.7	0	0	0	111.6	N253 G275 K277 N431 R478 S480	N253-Y433 VanDerWaalsContact ND2-CE1 3.33Å; N253-Y433 WeakPolarHBondContact ND2-CE1 3.26Å; N253-Y433 PolarHBondContact ND2-OH 3.44Å; G275-Y433 VanDerWaalsContact O-CD1 3.24Å; G275-Y433 WeakPolarHBondContact O-CD1 3.39Å; K277-Y433 HydrophobicContact CB-CD2 3.55Å; K277-Y433 HydrophobicContact CB-CE2 4.21Å; K277-Y433 HydrophobicContact CB-CG 4.31Å; N431-Y433 VanDerWaalsContact C-N 3.26Å; N431-Y433 PolarHBondContact O-N 3.19Å; N431-Y433 WeakPolarHBondContact OD1-CA 3.37Å; N431-Y433 WeakPolarHBondContact OD1-CB 3.28Å; N431-Y433 VanDerWaalsContact OD1-CD2 3.28Å; N431-Y433 WeakPolarHBondContact OD1-CD2 3.37Å; N431-Y433 PolarHBondContact OD1-N 3.24Å; Y433-R478 PolarHBondContact O-NE 3.14Å; Y433-R478 PolarHBondContact O-NH2 3.21Å; Y433-S480 WeakPolarHBondContact CB-OG 3.5Å
434	G	95.1	Very high	97.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	30.1	-178.2	0	0	0	0	0	112.5	G457 S477 S480	G434-G457 PolarHBondContact O-N 2.72Å; G434-S477 CarbonylContact C-O 3.6Å; G434-S477 VanDerWaalsContact CA-O 3.28Å; G434-S477 WeakPolarHBondContact CA-O 3.16Å; G434-S477 PolarHBondContact N-O 3.21Å; G434-S477 PolarHBondContact O-N 2.87Å; G434-S477 PolarHBondContact O-OG 3.39Å; G434-S480 PolarHBondContact N-OG 2.8Å; G434-S480 VanDerWaalsContact N-OG 3.12Å
435	N	96.5	Very high	97.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	22%	0.218	C	C	.	.	S	Bend	trans	-71.2	-67.3	-174.2	-161.4	27.3	0	0	0	112.2	A276 C307 M308 Q458 F474 S480	A276-N435 HydrophobicContact CB-CB 3.56Å; C307-N435 PolarHBondContact O-ND2 3.48Å; M308-N435 PolarHBondContact SD-ND2 3.25Å; M308-N435 VanDerWaalsContact SD-ND2 3.45Å; N435-Q458 WeakPolarHBondContact O-CB 3.41Å; N435-Q458 PolarHBondContact O-N 3.01Å; N435-Q458 PolarHBondContact O-NE2 3.04Å; N435-Q458 PolarHBondContact OD1-NE2 2.67Å; N435-F474 WeakPolarHBondContact OD1-CE1 3.4Å; N435-F474 VanDerWaalsContact OD1-CZ 3.23Å; N435-F474 WeakPolarHBondContact OD1-CZ 3.34Å; N435-S480 WeakPolarHBondContact CB-OG 3.37Å; N435-S480 PolarHBondContact N-OG 3.17Å
436	G	97.3	Very high	97.8	Very high	4 Å²	4	35 Å²	35	4%	0.041	22%	0.224	C	C	.	.			trans	-148.8	157.6	-179.4	0	0	0	0	0	113.1	N278 Q458	N278-G436 WeakPolarHBondContact CA-O 3.2Å; N278-G436 WeakPolarHBondContact CB-O 3.25Å; N278-G436 WeakPolarHBondContact OD1-CA 3.24Å; N278-G436 PolarHBondContact OD1-N 2.97Å; N278-G436 PolarHBondContact OD1-O 3.25Å; G436-Q458 CarbonylContact C-O 3.59Å; G436-Q458 VanDerWaalsContact CA-O 3.26Å; G436-Q458 WeakPolarHBondContact CA-O 3.49Å
437	T	98.6	Very high	97.8	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	160.9	176.1	-162.6	0	0	0	0	110.8	H279 Y450 V454 V456 Q458 I459 G460	H279-T437 CarbonylContact O-C 3.5Å; H279-T437 VanDerWaalsContact O-CA 3.31Å; H279-T437 WeakPolarHBondContact O-CA 3.19Å; H279-T437 PolarHBondContact O-OG1 3.49Å; T437-Y450 HydrophobicContact CG2-CE1 3.96Å; T437-Y450 WeakPolarHBondContact CG2-OH 3.25Å; T437-Y450 PolarHBondContact OG1-OH 2.77Å; T437-V454 HydrophobicContact CG2-CG1 4.16Å; T437-V454 HydrophobicContact CG2-CG2 4.02Å; T437-V456 HydrophobicContact CG2-CB 3.82Å; T437-V456 HydrophobicContact CG2-CG1 3.87Å; T437-V456 HydrophobicContact CG2-CG2 4.1Å; T437-Q458 PolarHBondContact N-O 2.92Å; T437-I459 HydrophobicContact CG2-CG1 4.2Å; T437-I459 HydrophobicContact CG2-CG2 4.29Å; T437-I459 CarbonylContact O-C 3.54Å; T437-I459 WeakPolarHBondContact O-CA 3.13Å; T437-G460 PolarHBondContact O-N 3.47Å
438	A	98.7	Very high	97.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.2	178.6	0	0	0	0	0	111.3	H279 G280 V281 L310 F440 G460 V463	H279-A438 PolarHBondContact O-N 3.17Å; G280-A438 CarbonylContact C-O 3.46Å; G280-A438 WeakPolarHBondContact CA-O 3.38Å; V281-A438 PolarHBondContact N-O 3.43Å; L310-A438 HydrophobicContact CD1-CB 4.38Å; A438-F440 HydrophobicContact CB-CE2 4.15Å; A438-F440 HydrophobicContact CB-CZ 4.11Å; A438-G460 CarbonylContact C-O 3.6Å; A438-G460 VanDerWaalsContact CA-O 3.26Å; A438-G460 WeakPolarHBondContact CA-O 3.41Å; A438-V463 WeakPolarHBondContact CB-O 3.46Å
439	I	98.9	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.8	164.9	-174.5	166.6	0	0	0	110	V281 M283 L421 T441 T446 Y450 G460 V461 N462	V281-I439 HydrophobicContact CB-CG1 4.35Å; V281-I439 HydrophobicContact CG1-CG1 4.46Å; V281-I439 CarbonylContact O-C 3.49Å; V281-I439 WeakPolarHBondContact O-CA 3.32Å; M283-I439 HydrophobicContact CG-CD1 4.08Å; M283-I439 HydrophobicContact CG-CG1 4.2Å; L421-I439 HydrophobicContact CD1-CD1 3.76Å; I439-T441 HydrophobicContact CD1-CG2 4.39Å; I439-T441 HydrophobicContact CG1-CG2 4.21Å; I439-T446 HydrophobicContact CD1-CG2 3.67Å; I439-Y450 HydrophobicContact CB-CD1 3.57Å; I439-Y450 HydrophobicContact CB-CD2 4.34Å; I439-Y450 HydrophobicContact CB-CE1 3.74Å; I439-Y450 HydrophobicContact CB-CG 3.87Å; I439-Y450 HydrophobicContact CD1-CD1 4.24Å; I439-Y450 HydrophobicContact CD1-CD2 3.86Å; I439-Y450 HydrophobicContact CD1-CG 3.62Å; I439-Y450 HydrophobicContact CG1-CG 4.33Å; I439-Y450 HydrophobicContact CG2-CD1 3.39Å; I439-Y450 HydrophobicContact CG2-CE1 3.92Å; I439-Y450 HydrophobicContact CG2-CG 3.9Å; I439-G460 PolarHBondContact N-O 3.14Å; I439-V461 HydrophobicContact CG2-CG2 4.05Å; I439-V461 CarbonylContact O-C 3.38Å; I439-V461 WeakPolarHBondContact O-CA 3.34Å; I439-N462 PolarHBondContact O-N 3.07Å
440	F	98.9	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.9	173.4	-53.2	-86.8	0	0	0	109.1	V281 V282 M283 A286 T291 Q294 L295 L310 A438 N462 P464	V281-F440 WeakPolarHBondContact O-CD2 3.29Å; V281-F440 PolarHBondContact O-N 3.49Å; V282-F440 HydrophobicContact CG2-CD2 3.9Å; M283-F440 VanDerWaalsContact CB-O 3.32Å; M283-F440 WeakPolarHBondContact CB-O 3.49Å; M283-F440 WeakPolarHBondContact CG-O 3.35Å; M283-F440 PolarHBondContact N-O 2.87Å; A286-F440 HydrophobicContact CB-CB 3.84Å; A286-F440 WeakPolarHBondContact CB-O 3.38Å; T291-F440 HydrophobicContact CG2-CB 3.77Å; T291-F440 HydrophobicContact CG2-CD1 3.87Å; T291-F440 HydrophobicContact CG2-CD2 3.85Å; T291-F440 HydrophobicContact CG2-CE1 4.47Å; T291-F440 HydrophobicContact CG2-CE2 4.44Å; T291-F440 HydrophobicContact CG2-CG 3.53Å; Q294-F440 HydrophobicContact CB-CE1 4.36Å; Q294-F440 VanDerWaalsContact OE1-CE1 3.23Å; L295-F440 HydrophobicContact CD2-CE2 3.89Å; L295-F440 HydrophobicContact CD2-CZ 4.26Å; L310-F440 HydrophobicContact CD1-CE2 4.26Å; L310-F440 HydrophobicContact CD1-CZ 4.21Å; A438-F440 HydrophobicContact CB-CE2 4.15Å; A438-F440 HydrophobicContact CB-CZ 4.11Å; F440-N462 VanDerWaalsContact CA-OD1 3.27Å; F440-N462 WeakPolarHBondContact CA-OD1 3.42Å; F440-P464 HydrophobicContact CE1-CB 4.45Å; F440-P464 HydrophobicContact CZ-CB 3.93Å
441	T	98.8	Very high	97.9	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	22%	0.218	C	C	.	.			trans	-168.3	153.6	-174.8	-174.5	0	0	0	0	109.9	D285 I439 N443 T446 A447 N462	D285-T441 VanDerWaalsContact CG-OG1 3.23Å; D285-T441 PolarHBondContact OD1-OG1 2.87Å; D285-T441 PolarHBondContact OD2-OG1 3.41Å; I439-T441 HydrophobicContact CD1-CG2 4.39Å; I439-T441 HydrophobicContact CG1-CG2 4.21Å; T441-N443 PolarHBondContact OG1-N 2.81Å; T441-T446 HydrophobicContact CG2-CG2 4.12Å; T441-A447 HydrophobicContact CG2-CB 3.97Å; T441-N462 PolarHBondContact N-OD1 3.41Å; T441-N462 PolarHBondContact O-ND2 2.99Å; T441-N462 PolarHBondContact O-OD1 3.01Å
442	T	98.6	Very high	98.1	Very high	107 Å²	107	44.2 Å²	44.2	66%	0.656	25%	0.25	S	S	*	.	S	Bend	trans	-99.9	-7.4	169	56.3	0	0	0	0	112.1	D285	D285-T442 VanDerWaalsContact O-CG2 3.27Å; D285-T442 WeakPolarHBondContact O-CG2 3.34Å; D285-T442 PolarHBondContact O-OG1 3.16Å; D285-T442 PolarHBondContact OD2-N 3.17Å; D285-T442 PolarHBondContact OD2-OG1 2.84Å; D285-T442 VanDerWaalsContact OD2-OG1 3.13Å
443	N	98.7	Very high	98.2	Very high	73 Å²	73	44.9 Å²	44.9	39%	0.39	25%	0.245	S	C	.	.			trans	-88.6	116.9	-179.7	-172.7	-54.8	0	0	0	112.7	D285 T441 A445 T446 A447	D285-N443 VanDerWaalsContact OD2-CB 3.25Å; D285-N443 WeakPolarHBondContact OD2-CB 3.28Å; D285-N443 PolarHBondContact OD2-N 3.32Å; T441-N443 PolarHBondContact OG1-N 2.81Å; N443-A445 PolarHBondContact O-N 2.92Å; N443-A445 WeakPolarHBondContact OD1-CA 3.47Å; N443-A445 VanDerWaalsContact OD1-CB 3.31Å; N443-A445 WeakPolarHBondContact OD1-CB 3.46Å; N443-A445 PolarHBondContact OD1-N 3.4Å; N443-T446 WeakPolarHBondContact O-CB 3.44Å; N443-T446 PolarHBondContact O-N 3.27Å; N443-T446 PolarHBondContact OD1-N 3.46Å; N443-A447 PolarHBondContact O-N 2.84Å
444	G	98.8	Very high	98.3	Very high	57 Å²	57	44 Å²	44	59%	0.588	24%	0.242	S	C	*	.	H	α-helix	trans	-64.5	-31.7	179	0	0	0	0	0	114.8	R448	G444-R448 VanDerWaalsContact O-CB 3.3Å; G444-R448 WeakPolarHBondContact O-CB 3.38Å; G444-R448 PolarHBondContact O-N 2.83Å
445	A	98.7	Very high	98.4	Very high	71 Å²	71	48.2 Å²	48.2	59%	0.587	27%	0.265	S	S	*	.	H	α-helix	trans	-70.8	-39.5	176.4	0	0	0	0	0	111.4	N443 R448 K449	N443-A445 PolarHBondContact O-N 2.92Å; N443-A445 WeakPolarHBondContact OD1-CA 3.47Å; N443-A445 VanDerWaalsContact OD1-CB 3.31Å; N443-A445 WeakPolarHBondContact OD1-CB 3.46Å; N443-A445 PolarHBondContact OD1-N 3.4Å; A445-R448 PolarHBondContact O-N 3.1Å; A445-K449 VanDerWaalsContact O-CB 3.28Å; A445-K449 WeakPolarHBondContact O-CB 3.22Å; A445-K449 PolarHBondContact O-N 2.98Å
446	T	98.8	Very high	98.4	Very high	25 Å²	25	48.8 Å²	48.8	15%	0.153	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-51.3	172.3	-62.9	0	0	0	0	111	M283 L421 I439 T441 N443 R448 K449 Y450	M283-T446 HydrophobicContact CE-CG2 4.33Å; M283-T446 HydrophobicContact CG-CG2 3.85Å; M283-T446 HydrophobicContact SD-CG2 4.3Å; L421-T446 HydrophobicContact CD1-CG2 4.27Å; L421-T446 HydrophobicContact CD2-CG2 3.8Å; I439-T446 HydrophobicContact CD1-CG2 3.67Å; T441-T446 HydrophobicContact CG2-CG2 4.12Å; N443-T446 WeakPolarHBondContact O-CB 3.44Å; N443-T446 PolarHBondContact O-N 3.27Å; N443-T446 PolarHBondContact OD1-N 3.46Å; T446-R448 PolarHBondContact O-N 2.87Å; T446-K449 PolarHBondContact O-N 2.68Å; T446-Y450 WeakPolarHBondContact O-CB 3.39Å; T446-Y450 PolarHBondContact O-N 3.35Å
447	A	98.8	Very high	98.2	Very high	12 Å²	12	50.1 Å²	50.1	10%	0.099	28%	0.282	C	S	.	.	H	α-helix	trans	-56.4	-48.9	176.9	0	0	0	0	0	111.5	T441 N443 Y450 T451 V461	T441-A447 HydrophobicContact CG2-CB 3.97Å; N443-A447 PolarHBondContact O-N 2.84Å; A447-Y450 PolarHBondContact O-N 2.79Å; A447-T451 VanDerWaalsContact O-CG2 3.3Å; A447-T451 WeakPolarHBondContact O-CG2 3.07Å; A447-T451 PolarHBondContact O-N 3.4Å; A447-T451 PolarHBondContact O-OG1 3.03Å; A447-V461 HydrophobicContact CB-CG1 3.76Å; A447-V461 HydrophobicContact CB-CG2 4.3Å
448	R	98.6	Very high	98.1	Very high	179 Å²	179	50.1 Å²	50.1	68%	0.675	28%	0.282	S	S	*	.	H	α-helix	trans	-61.1	-48.1	178.4	179.4	169.1	176.5	67.3	1.1	112.1	G444 A445 T446 Y450 T451 H452	G444-R448 VanDerWaalsContact O-CB 3.3Å; G444-R448 WeakPolarHBondContact O-CB 3.38Å; G444-R448 PolarHBondContact O-N 2.83Å; A445-R448 PolarHBondContact O-N 3.1Å; T446-R448 PolarHBondContact O-N 2.87Å; R448-Y450 VanDerWaalsContact C-N 3.29Å; R448-Y450 PolarHBondContact O-N 2.85Å; R448-T451 WeakPolarHBondContact CA-OG1 3.19Å; R448-T451 PolarHBondContact O-N 3.19Å; R448-T451 PolarHBondContact O-OG1 3.07Å; R448-H452 WeakPolarHBondContact O-CB 3.17Å; R448-H452 PolarHBondContact O-N 2.64Å
449	K	98.8	Very high	98.1	Very high	71 Å²	71	52.9 Å²	52.9	31%	0.309	30%	0.295	S	S	.	.	H	α-helix	trans	-58.2	-44.2	178.5	178.7	173.8	171	-173.5	0	110.9	L421 D422 A445 T446 H452 K453	L421-K449 HydrophobicContact CD2-CB 4.4Å; L421-K449 HydrophobicContact CD2-CD 3.91Å; L421-K449 HydrophobicContact CD2-CG 4.23Å; D422-K449 WeakPolarHBondContact OD1-CE 3.36Å; D422-K449 IonicContact OD1-NZ 3.39Å; D422-K449 PolarHBondContact OD1-NZ 3.25Å; D422-K449 IonicContact OD2-NZ 3.2Å; D422-K449 PolarHBondContact OD2-NZ 2.96Å; A445-K449 VanDerWaalsContact O-CB 3.28Å; A445-K449 WeakPolarHBondContact O-CB 3.22Å; A445-K449 PolarHBondContact O-N 2.98Å; T446-K449 PolarHBondContact O-N 2.68Å; K449-H452 PolarHBondContact O-N 3.17Å; K449-K453 HydrophobicContact CG-CD 4.05Å; K449-K453 HydrophobicContact CG-CG 4.5Å; K449-K453 WeakPolarHBondContact O-CB 3.23Å; K449-K453 WeakPolarHBondContact O-CG 3.41Å; K449-K453 PolarHBondContact O-N 2.94Å
450	Y	98.8	Very high	98.1	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62	-54.5	176.9	-174.1	-99.2	0	0	0	111.8	V281 L421 I425 T437 I439 T446 A447 R448 H452 K453 V454 I459	V281-Y450 HydrophobicContact CB-CE2 4.3Å; V281-Y450 HydrophobicContact CG2-CE2 3.77Å; L421-Y450 HydrophobicContact CD1-CD2 4.01Å; I425-Y450 HydrophobicContact CD1-CD2 4.18Å; I425-Y450 HydrophobicContact CG1-CD2 3.63Å; I425-Y450 HydrophobicContact CG1-CE2 4Å; T437-Y450 HydrophobicContact CG2-CE1 3.96Å; T437-Y450 WeakPolarHBondContact CG2-OH 3.25Å; T437-Y450 PolarHBondContact OG1-OH 2.77Å; I439-Y450 HydrophobicContact CB-CD1 3.57Å; I439-Y450 HydrophobicContact CB-CD2 4.34Å; I439-Y450 HydrophobicContact CB-CE1 3.74Å; I439-Y450 HydrophobicContact CB-CG 3.87Å; I439-Y450 HydrophobicContact CD1-CD1 4.24Å; I439-Y450 HydrophobicContact CD1-CD2 3.86Å; I439-Y450 HydrophobicContact CD1-CG 3.62Å; I439-Y450 HydrophobicContact CG1-CG 4.33Å; I439-Y450 HydrophobicContact CG2-CD1 3.39Å; I439-Y450 HydrophobicContact CG2-CE1 3.92Å; I439-Y450 HydrophobicContact CG2-CG 3.9Å; T446-Y450 WeakPolarHBondContact O-CB 3.39Å; T446-Y450 PolarHBondContact O-N 3.35Å; A447-Y450 PolarHBondContact O-N 2.79Å; R448-Y450 VanDerWaalsContact C-N 3.29Å; R448-Y450 PolarHBondContact O-N 2.85Å; Y450-H452 PolarHBondContact O-N 3.28Å; Y450-H452 VanDerWaalsContact O-N 3.07Å; Y450-K453 PolarHBondContact O-N 3.1Å; Y450-K453 VanDerWaalsContact O-N 3.12Å; Y450-V454 HydrophobicContact CD1-CG1 4.14Å; Y450-V454 HydrophobicContact CE1-CB 4.28Å; Y450-V454 HydrophobicContact CE1-CG1 3.94Å; Y450-V454 HydrophobicContact CE1-CG2 4.42Å; Y450-V454 HydrophobicContact CE2-CB 4.24Å; Y450-V454 HydrophobicContact CE2-CG2 4.18Å; Y450-V454 WeakPolarHBondContact O-CB 3.42Å; Y450-V454 VanDerWaalsContact O-CG1 3.27Å; Y450-V454 WeakPolarHBondContact O-CG1 3.37Å; Y450-V454 PolarHBondContact O-N 3.05Å; Y450-I459 HydrophobicContact CD1-CG2 4.06Å; Y450-I459 HydrophobicContact CE1-CG2 3.94Å
451	T	98.3	Very high	98.1	Very high	56 Å²	56	55.6 Å²	55.6	34%	0.344	31%	0.313	S	S	.	.	H	α-helix	trans	-58.3	-26	179.9	58.1	0	0	0	0	113.7	A447 R448 I459 V461	A447-T451 VanDerWaalsContact O-CG2 3.3Å; A447-T451 WeakPolarHBondContact O-CG2 3.07Å; A447-T451 PolarHBondContact O-N 3.4Å; A447-T451 PolarHBondContact O-OG1 3.03Å; R448-T451 WeakPolarHBondContact CA-OG1 3.19Å; R448-T451 PolarHBondContact O-N 3.19Å; R448-T451 PolarHBondContact O-OG1 3.07Å; T451-I459 HydrophobicContact CG2-CG2 3.92Å; T451-V461 HydrophobicContact CG2-CG2 3.72Å
452	H	98.3	Very high	98.1	Very high	152 Å²	152	58.5 Å²	58.5	70%	0.704	33%	0.328	S	S	*	.	H	α-helix	trans	-87.2	-31.9	179.4	-173.3	60.2	0	0	0	113.6	R448 K449 Y450	R448-H452 WeakPolarHBondContact O-CB 3.17Å; R448-H452 PolarHBondContact O-N 2.64Å; K449-H452 PolarHBondContact O-N 3.17Å; Y450-H452 PolarHBondContact O-N 3.28Å; Y450-H452 VanDerWaalsContact O-N 3.07Å
453	K	98.5	Very high	98.1	Very high	100 Å²	100	56.7 Å²	56.7	44%	0.435	32%	0.316	S	S	.	.	H	α-helix	trans	-100.3	-24.1	-173	-72.6	-167.8	172.8	-164.1	0	114.3	D422 I425 N429 K449 Y450	D422-K453 IonicContact OD1-NZ 2.68Å; D422-K453 PolarHBondContact OD1-NZ 3.08Å; D422-K453 VanDerWaalsContact OD1-NZ 3.09Å; I425-K453 HydrophobicContact CD1-CB 4.11Å; I425-K453 HydrophobicContact CD1-CD 4.24Å; I425-K453 HydrophobicContact CG2-CB 4.16Å; N429-K453 PolarHBondContact ND2-O 3.29Å; K449-K453 HydrophobicContact CG-CD 4.05Å; K449-K453 HydrophobicContact CG-CG 4.5Å; K449-K453 WeakPolarHBondContact O-CB 3.23Å; K449-K453 WeakPolarHBondContact O-CG 3.41Å; K449-K453 PolarHBondContact O-N 2.94Å; Y450-K453 PolarHBondContact O-N 3.1Å; Y450-K453 VanDerWaalsContact O-N 3.12Å
454	V	98.2	Very high	98	Very high	11 Å²	11	54.2 Å²	54.2	7%	0.067	30%	0.304	C	S	.	.			trans	-74.1	133.4	-179.9	76.8	0	0	0	0	109.8	V428 N429 T437 Y450 V456 I459	V428-V454 HydrophobicContact CB-CG2 4.15Å; V428-V454 HydrophobicContact CG1-CG2 3.55Å; N429-V454 WeakPolarHBondContact OD1-CA 3.36Å; T437-V454 HydrophobicContact CG2-CG1 4.16Å; T437-V454 HydrophobicContact CG2-CG2 4.02Å; Y450-V454 HydrophobicContact CD1-CG1 4.14Å; Y450-V454 HydrophobicContact CE1-CB 4.28Å; Y450-V454 HydrophobicContact CE1-CG1 3.94Å; Y450-V454 HydrophobicContact CE1-CG2 4.42Å; Y450-V454 HydrophobicContact CE2-CB 4.24Å; Y450-V454 HydrophobicContact CE2-CG2 4.18Å; Y450-V454 WeakPolarHBondContact O-CB 3.42Å; Y450-V454 VanDerWaalsContact O-CG1 3.27Å; Y450-V454 WeakPolarHBondContact O-CG1 3.37Å; Y450-V454 PolarHBondContact O-N 3.05Å; V454-V456 HydrophobicContact CG2-CB 4.46Å; V454-V456 HydrophobicContact CG2-CG2 4.06Å; V454-V456 PolarHBondContact O-N 3.26Å; V454-I459 HydrophobicContact CG1-CD1 3.45Å; V454-I459 VanDerWaalsContact CG1-CD1 3.45Å; V454-I459 HydrophobicContact CG1-CG1 3.82Å; V454-I459 HydrophobicContact CG1-CG2 4.28Å
455	D	96.9	Very high	97.9	Very high	88 Å²	88	53.7 Å²	53.7	47%	0.471	29%	0.288	S	S	.	.			trans	-99.3	63.8	-175	-179.2	26.1	0	0	0	110.2	N429 R478	N429-D455 PolarHBondContact OD1-N 2.89Å; D455-R478 WeakPolarHBondContact O-CD 3.38Å; D455-R478 PolarHBondContact O-NE 3.28Å; D455-R478 PolarHBondContact O-NH1 3.38Å; D455-R478 PolarHBondContact O-NH2 2.9Å; D455-R478 WeakPolarHBondContact OD2-CD 3.29Å; D455-R478 IonicContact OD2-CZ 3.18Å; D455-R478 IonicContact OD2-NE 3.29Å; D455-R478 IonicContact OD2-NH1 2.59Å; D455-R478 PolarHBondContact OD2-NH1 3.26Å; D455-R478 VanDerWaalsContact OD2-NH1 3.15Å
456	V	96.9	Very high	97.8	Very high	13 Å²	13	51.2 Å²	51.2	8%	0.079	27%	0.266	C	S	.	.			trans	-139.2	138.9	-176.9	175	0	0	0	0	108.8	V428 T437 V454 Q458	V428-V456 HydrophobicContact CG1-CG2 3.82Å; T437-V456 HydrophobicContact CG2-CB 3.82Å; T437-V456 HydrophobicContact CG2-CG1 3.87Å; T437-V456 HydrophobicContact CG2-CG2 4.1Å; V454-V456 HydrophobicContact CG2-CB 4.46Å; V454-V456 HydrophobicContact CG2-CG2 4.06Å; V454-V456 PolarHBondContact O-N 3.26Å; V456-Q458 PolarHBondContact O-N 2.76Å
457	G	93.4	Very high	97.6	Very high	31 Å²	31	51.4 Å²	51.4	32%	0.32	27%	0.267	S	S	.	.	S	Bend	trans	-78.9	-16.3	-170.1	0	0	0	0	0	115.8	G434 T475 S477	G434-G457 PolarHBondContact O-N 2.72Å; G457-T475 CarbonylContact C-O 3.57Å; G457-T475 WeakPolarHBondContact CA-O 3.43Å; G457-T475 PolarHBondContact O-OG1 3.03Å; G457-S477 PolarHBondContact N-OG 2.85Å
458	Q	96.7	Very high	97.4	Very high	4 Å²	4	52 Å²	52	2%	0.019	27%	0.27	C	S	.	.	S	Bend	trans	-128.6	117.1	174.9	-59.5	168.4	107.3	0	0	110.3	M308 N435 G436 T437 V456 P466 P468 F474 T475	M308-Q458 HydrophobicContact CE-CB 4.37Å; N435-Q458 WeakPolarHBondContact O-CB 3.41Å; N435-Q458 PolarHBondContact O-N 3.01Å; N435-Q458 PolarHBondContact O-NE2 3.04Å; N435-Q458 PolarHBondContact OD1-NE2 2.67Å; G436-Q458 CarbonylContact C-O 3.59Å; G436-Q458 VanDerWaalsContact CA-O 3.26Å; G436-Q458 WeakPolarHBondContact CA-O 3.49Å; T437-Q458 PolarHBondContact N-O 2.92Å; V456-Q458 PolarHBondContact O-N 2.76Å; Q458-P466 HydrophobicContact CB-CG 4.34Å; Q458-P468 HydrophobicContact CG-CG 4.17Å; Q458-F474 VanDerWaalsContact NE2-CZ 3.26Å; Q458-F474 VanDerWaalsContact OE1-CE2 3.28Å; Q458-T475 WeakPolarHBondContact CG-OG1 3.45Å
459	I	98.4	Very high	97.2	Very high	57 Å²	57	47.2 Å²	47.2	29%	0.292	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.1	-171.8	-52.5	165.5	0	0	0	110.1	T437 Y450 T451 V454	T437-I459 HydrophobicContact CG2-CG1 4.2Å; T437-I459 HydrophobicContact CG2-CG2 4.29Å; T437-I459 CarbonylContact O-C 3.54Å; T437-I459 WeakPolarHBondContact O-CA 3.13Å; Y450-I459 HydrophobicContact CD1-CG2 4.06Å; Y450-I459 HydrophobicContact CE1-CG2 3.94Å; T451-I459 HydrophobicContact CG2-CG2 3.92Å; V454-I459 HydrophobicContact CG1-CD1 3.45Å; V454-I459 VanDerWaalsContact CG1-CD1 3.45Å; V454-I459 HydrophobicContact CG1-CG1 3.82Å; V454-I459 HydrophobicContact CG1-CG2 4.28Å
460	G	98.4	Very high	96.9	Very high	2 Å²	2	44.4 Å²	44.4	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.8	173.6	0	0	0	0	0	112.2	T437 A438 I439 V463	T437-G460 PolarHBondContact O-N 3.47Å; A438-G460 CarbonylContact C-O 3.6Å; A438-G460 VanDerWaalsContact CA-O 3.26Å; A438-G460 WeakPolarHBondContact CA-O 3.41Å; I439-G460 PolarHBondContact N-O 3.14Å; G460-V463 WeakPolarHBondContact CA-O 3.38Å
461	V	98.7	Very high	96.7	Very high	56 Å²	56	49.2 Å²	49.2	34%	0.339	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	110.7	167.3	179.8	0	0	0	0	106.9	I439 A447 T451 V463	I439-V461 HydrophobicContact CG2-CG2 4.05Å; I439-V461 CarbonylContact O-C 3.38Å; I439-V461 WeakPolarHBondContact O-CA 3.34Å; A447-V461 HydrophobicContact CB-CG1 3.76Å; A447-V461 HydrophobicContact CB-CG2 4.3Å; T451-V461 HydrophobicContact CG2-CG2 3.72Å; V461-V463 PolarHBondContact O-N 3.32Å
462	N	98.5	Very high	96.5	Very high	63 Å²	63	53 Å²	53	34%	0.337	28%	0.282	S	S	.	.	S	Bend	trans	57.2	26.6	-170.5	-55.3	-51	0	0	0	113.8	Q294 I439 F440 T441	Q294-N462 PolarHBondContact NE2-O 2.73Å; Q294-N462 PolarHBondContact OE1-O 3.36Å; I439-N462 PolarHBondContact O-N 3.07Å; F440-N462 VanDerWaalsContact CA-OD1 3.27Å; F440-N462 WeakPolarHBondContact CA-OD1 3.42Å; T441-N462 PolarHBondContact N-OD1 3.41Å; T441-N462 PolarHBondContact O-ND2 2.99Å; T441-N462 PolarHBondContact O-OD1 3.01Å
463	V	98.1	Very high	96.4	Very high	69 Å²	69	46.1 Å²	46.1	42%	0.418	25%	0.251	S	S	.	.			trans	-134.5	110.9	178.1	178.5	0	0	0	0	107.9	A438 G460 V461 I465	A438-V463 WeakPolarHBondContact CB-O 3.46Å; G460-V463 WeakPolarHBondContact CA-O 3.38Å; V461-V463 PolarHBondContact O-N 3.32Å; V463-I465 PolarHBondContact O-N 3.15Å
464	P	96.4	Very high	96.3	Very high	21 Å²	21	41.4 Å²	41.4	14%	0.136	23%	0.23	C	C	.	.	S	Bend	trans	-73.8	-28.3	-172.1	30.4	-38.6	0	0	0	113.6	Q294 A298 L310 F440 P466	Q294-P464 HydrophobicContact CB-CB 4.46Å; Q294-P464 HydrophobicContact CB-CG 3.92Å; Q294-P464 HydrophobicContact CG-CG 4.33Å; A298-P464 HydrophobicContact CB-CB 3.5Å; A298-P464 HydrophobicContact CB-CG 3.94Å; L310-P464 HydrophobicContact CD1-CB 3.74Å; F440-P464 HydrophobicContact CE1-CB 4.45Å; F440-P464 HydrophobicContact CZ-CB 3.93Å; P464-P466 WeakPolarHBondContact O-CD 3.38Å
465	I	96.8	Very high	96.1	Very high	46 Å²	46	42.6 Å²	42.6	24%	0.236	24%	0.238	C	C	.	.	S	Bend	trans	-121.5	83.1	-178.4	-62	-176.9	0	0	0	107.4	A298 M308 V463 V467	A298-I465 HydrophobicContact CB-CD1 4.01Å; A298-I465 HydrophobicContact CB-CG1 3.85Å; M308-I465 HydrophobicContact CB-CG2 4.04Å; V463-I465 PolarHBondContact O-N 3.15Å; I465-V467 HydrophobicContact CG2-CG2 3.55Å; I465-V467 PolarHBondContact O-N 3.15Å
466	P	96.4	Very high	95.9	Very high	19 Å²	19	38.6 Å²	38.6	12%	0.123	22%	0.217	C	C	.	.			trans	-81.7	51.6	-175	35.4	-39.5	0	0	0	112.1	M308 Q458 P464 P468	M308-P466 HydrophobicContact CE-CG 3.91Å; Q458-P466 HydrophobicContact CB-CG 4.34Å; P464-P466 WeakPolarHBondContact O-CD 3.38Å; P466-P468 VanDerWaalsContact O-CD 3.22Å; P466-P468 WeakPolarHBondContact O-CD 3.22Å
467	V	95.5	Very high	95.8	Very high	30 Å²	30	39.4 Å²	39.4	18%	0.182	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-68.8	119.4	178.3	-179.4	0	0	0	0	109.2	R130 M308 I465 F474	R130-V467 PolarHBondContact NH2-O 2.81Å; M308-V467 HydrophobicContact CB-CG2 4.15Å; M308-V467 HydrophobicContact CE-CG2 4.2Å; M308-V467 HydrophobicContact CG-CG2 3.82Å; I465-V467 HydrophobicContact CG2-CG2 3.55Å; I465-V467 PolarHBondContact O-N 3.15Å; V467-F474 HydrophobicContact CG1-CD2 4.32Å
468	P	94.9	Very high	95.8	Very high	25 Å²	25	40.8 Å²	40.8	16%	0.162	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-59.5	148.3	-177.7	-27.8	37.8	0	0	0	112.5	R130 Q458 P466 F472 S473 Y488	R130-P468 PolarHBondContact NH2-O 3.29Å; Q458-P468 HydrophobicContact CG-CG 4.17Å; P466-P468 VanDerWaalsContact O-CD 3.22Å; P466-P468 WeakPolarHBondContact O-CD 3.22Å; P468-F472 HydrophobicContact CB-CB 4Å; P468-S473 WeakPolarHBondContact CB-O 3.28Å; P468-S473 VanDerWaalsContact CG-O 3.25Å; P468-S473 WeakPolarHBondContact CG-O 3.36Å; P468-Y488 PolarHBondContact O-OH 3.47Å
469	L	94.1	Very high	95.7	Very high	77 Å²	77	41.4 Å²	41.4	40%	0.403	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-69.5	156.9	171.5	-64.7	178.2	0	0	0	110.9	M471 F472	L469-M471 VanDerWaalsContact C-N 3.29Å; L469-M471 HydrophobicContact CB-CE 4.33Å; L469-M471 HydrophobicContact CB-SD 3.36Å; L469-M471 WeakPolarHBondContact CB-SD 3.23Å; L469-M471 HydrophobicContact CD1-CE 4.15Å; L469-M471 HydrophobicContact CD1-SD 4.19Å; L469-M471 HydrophobicContact CG-SD 4.43Å; L469-M471 PolarHBondContact O-N 3.09Å; L469-M471 VanDerWaalsContact O-N 3.12Å; L469-F472 HydrophobicContact CB-CD2 4.35Å; L469-F472 CarbonylContact O-C 3.58Å; L469-F472 WeakPolarHBondContact O-CA 3.41Å; L469-F472 WeakPolarHBondContact O-CB 3.22Å; L469-F472 PolarHBondContact O-N 3.43Å
470	P	93.3	Very high	95.7	Very high	13 Å²	13	38.7 Å²	38.7	8%	0.084	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-19	-170	-30.3	39.6	0	0	0	117.9	Q133 V134 H137 F472 G489	Q133-P470 HydrophobicContact CB-CG 3.53Å; Q133-P470 WeakPolarHBondContact O-CG 3.31Å; V134-P470 HydrophobicContact CG2-CB 4.01Å; V134-P470 HydrophobicContact CG2-CG 4Å; H137-P470 HydrophobicContact CB-CB 3.75Å; H137-P470 PolarHBondContact CD2-O 3.12Å; H137-P470 VanDerWaalsContact CD2-O 3.22Å; P470-F472 VanDerWaalsContact C-N 3.27Å; P470-F472 CarbonylContact C-O 3.6Å; P470-F472 VanDerWaalsContact O-O 3.08Å; P470-G489 WeakPolarHBondContact O-CA 3.1Å; P470-G489 PolarHBondContact O-N 2.88Å
471	M	93.7	Very high	95.7	Very high	100 Å²	100	39.4 Å²	39.4	49%	0.493	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-17.9	173.2	69.8	-72.6	-105.7	0	0	112.9	L469	L469-M471 VanDerWaalsContact C-N 3.29Å; L469-M471 HydrophobicContact CB-CE 4.33Å; L469-M471 HydrophobicContact CB-SD 3.36Å; L469-M471 WeakPolarHBondContact CB-SD 3.23Å; L469-M471 HydrophobicContact CD1-CE 4.15Å; L469-M471 HydrophobicContact CD1-SD 4.19Å; L469-M471 HydrophobicContact CG-SD 4.43Å; L469-M471 PolarHBondContact O-N 3.09Å; L469-M471 VanDerWaalsContact O-N 3.12Å
472	F	95.4	Very high	95.6	Very high	136 Å²	136	40.4 Å²	40.4	60%	0.596	21%	0.213	S	C	*	.	S	Bend	trans	-91.8	-164	163.8	-59.9	-89.3	0	0	0	108.9	P468 L469 P470 Y488 G489	P468-F472 HydrophobicContact CB-CB 4Å; L469-F472 HydrophobicContact CB-CD2 4.35Å; L469-F472 CarbonylContact O-C 3.58Å; L469-F472 WeakPolarHBondContact O-CA 3.41Å; L469-F472 WeakPolarHBondContact O-CB 3.22Å; L469-F472 PolarHBondContact O-N 3.43Å; P470-F472 VanDerWaalsContact C-N 3.27Å; P470-F472 CarbonylContact C-O 3.6Å; P470-F472 VanDerWaalsContact O-O 3.08Å; F472-Y488 VanDerWaalsContact O-CD2 3.28Å; F472-Y488 WeakPolarHBondContact O-CD2 3.4Å; F472-Y488 WeakPolarHBondContact O-CE2 3.33Å; F472-G489 VanDerWaalsContact O-CA 3.25Å; F472-G489 WeakPolarHBondContact O-CA 3.33Å
473	S	95.1	Very high	95.5	Very high	7 Å²	7	38.7 Å²	38.7	5%	0.049	21%	0.21	C	C	.	.			trans	-130.6	154.7	-179.8	-62.4	0	0	0	0	109.9	P468 T475 F487 Y488 Q491	P468-S473 WeakPolarHBondContact CB-O 3.28Å; P468-S473 VanDerWaalsContact CG-O 3.25Å; P468-S473 WeakPolarHBondContact CG-O 3.36Å; S473-T475 PolarHBondContact O-N 3.44Å; S473-F487 VanDerWaalsContact CA-O 3.25Å; S473-F487 WeakPolarHBondContact CA-O 3.47Å; S473-F487 WeakPolarHBondContact CB-O 3.38Å; S473-Y488 PolarHBondContact OG-O 3.29Å; S473-Q491 WeakPolarHBondContact OG-CB 3.43Å; S473-Q491 WeakPolarHBondContact OG-CG 3.48Å; S473-Q491 PolarHBondContact OG-N 2.98Å
474	F	96.8	Very high	95.3	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-73.1	102.9	170.3	-171.5	-89.1	0	0	0	109.2	W184 N273 M308 N435 Q458 V467 G476 N486 F487 Y488	W184-F474 HydrophobicContact CH2-CB 4.32Å; W184-F474 AromaticContact CH2-CD2 3.44Å; W184-F474 HydrophobicContact CH2-CD2 3.44Å; W184-F474 VanDerWaalsContact CH2-CD2 3.44Å; W184-F474 AromaticContact CH2-CE2 3.91Å; W184-F474 HydrophobicContact CH2-CE2 3.91Å; W184-F474 AromaticContact CH2-CG 3.98Å; W184-F474 HydrophobicContact CH2-CG 3.98Å; W184-F474 HydrophobicContact CZ2-CD2 4.44Å; W184-F474 HydrophobicContact CZ3-CB 4.07Å; W184-F474 HydrophobicContact CZ3-CD1 4.44Å; W184-F474 AromaticContact CZ3-CD2 3.78Å; W184-F474 HydrophobicContact CZ3-CD2 3.78Å; W184-F474 HydrophobicContact CZ3-CE2 4.34Å; W184-F474 AromaticContact CZ3-CG 3.84Å; W184-F474 HydrophobicContact CZ3-CG 3.84Å; N273-F474 WeakPolarHBondContact OD1-CE1 3.42Å; M308-F474 HydrophobicContact CG-CE2 3.82Å; M308-F474 HydrophobicContact CG-CZ 3.92Å; M308-F474 HydrophobicContact SD-CE2 4.02Å; M308-F474 HydrophobicContact SD-CZ 3.83Å; N435-F474 WeakPolarHBondContact OD1-CE1 3.4Å; N435-F474 VanDerWaalsContact OD1-CZ 3.23Å; N435-F474 WeakPolarHBondContact OD1-CZ 3.34Å; Q458-F474 VanDerWaalsContact NE2-CZ 3.26Å; Q458-F474 VanDerWaalsContact OE1-CE2 3.28Å; V467-F474 HydrophobicContact CG1-CD2 4.32Å; F474-G476 PolarHBondContact O-N 3.1Å; F474-N486 VanDerWaalsContact O-CB 3.24Å; F474-N486 WeakPolarHBondContact O-CB 3.4Å; F474-N486 PolarHBondContact O-OD1 3.33Å; F474-F487 HydrophobicContact CB-CB 4.2Å; F474-F487 HydrophobicContact CB-CD2 4.45Å; F474-F487 HydrophobicContact CD1-CD2 4.49Å; F474-F487 PolarHBondContact N-O 2.9Å; F474-Y488 HydrophobicContact CB-CD1 4.5Å; F474-Y488 HydrophobicContact CB-CE1 3.55Å; F474-Y488 WeakPolarHBondContact CB-OH 3.24Å; F474-Y488 VanDerWaalsContact N-CZ 3.31Å; F474-Y488 PolarHBondContact N-OH 2.9Å
475	T	94	Very high	95.2	Very high	37 Å²	37	41.2 Å²	41.2	23%	0.227	22%	0.221	C	C	.	.			trans	-102.9	59.1	-166.7	46.7	0	0	0	0	112.6	G457 Q458 S473 N486	G457-T475 CarbonylContact C-O 3.57Å; G457-T475 WeakPolarHBondContact CA-O 3.43Å; G457-T475 PolarHBondContact O-OG1 3.03Å; Q458-T475 WeakPolarHBondContact CG-OG1 3.45Å; S473-T475 PolarHBondContact O-N 3.44Å; T475-N486 HydrophobicContact CG2-CB 4.49Å
476	G	92.6	Very high	95.2	Very high	4 Å²	4	39.9 Å²	39.9	4%	0.041	21%	0.214	C	C	.	.			trans	-60.3	148.1	168.1	0	0	0	0	0	111.1	F474 F481	F474-G476 PolarHBondContact O-N 3.1Å; G476-F481 VanDerWaalsContact O-CB 3.28Å; G476-F481 WeakPolarHBondContact O-CB 3.35Å
477	S	93.9	Very high	95.2	Very high	29 Å²	29	39 Å²	39	20%	0.203	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	176.1	178.8	71	0	0	0	0	112.5	G434 G457 G479 S480	G434-S477 CarbonylContact C-O 3.6Å; G434-S477 VanDerWaalsContact CA-O 3.28Å; G434-S477 WeakPolarHBondContact CA-O 3.16Å; G434-S477 PolarHBondContact N-O 3.21Å; G434-S477 PolarHBondContact O-N 2.87Å; G434-S477 PolarHBondContact O-OG 3.39Å; G457-S477 PolarHBondContact N-OG 2.85Å; S477-G479 PolarHBondContact O-N 3.23Å; S477-S480 WeakPolarHBondContact O-CB 3.13Å; S477-S480 PolarHBondContact O-N 2.84Å
478	R	94.9	Very high	95.2	Very high	60 Å²	60	37.7 Å²	37.7	23%	0.226	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54	-131.7	174.6	-50.4	-169.7	-59.9	-179.7	0.6	112.6	V428 N429 N431 Y433 D455 S480 F481 R482	V428-R478 PolarHBondContact O-NH2 3.39Å; N429-R478 PolarHBondContact O-NH1 3.23Å; N431-R478 PolarHBondContact O-NH2 3.41Å; Y433-R478 PolarHBondContact O-NE 3.14Å; Y433-R478 PolarHBondContact O-NH2 3.21Å; D455-R478 WeakPolarHBondContact O-CD 3.38Å; D455-R478 PolarHBondContact O-NE 3.28Å; D455-R478 PolarHBondContact O-NH1 3.38Å; D455-R478 PolarHBondContact O-NH2 2.9Å; D455-R478 WeakPolarHBondContact OD2-CD 3.29Å; D455-R478 IonicContact OD2-CZ 3.18Å; D455-R478 IonicContact OD2-NE 3.29Å; D455-R478 IonicContact OD2-NH1 2.59Å; D455-R478 PolarHBondContact OD2-NH1 3.26Å; D455-R478 VanDerWaalsContact OD2-NH1 3.15Å; R478-S480 PolarHBondContact O-N 3.31Å; R478-S480 VanDerWaalsContact O-N 3.08Å; R478-F481 PolarHBondContact O-N 3.38Å; R478-R482 PolarHBondContact O-NH1 3.13Å
479	G	94.7	Very high	95.2	Very high	17 Å²	17	36.5 Å²	36.5	18%	0.175	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-12.5	177.2	0	0	0	0	0	114.8	M274 P432 S477	M274-G479 WeakPolarHBondContact CE-O 3.35Å; P432-G479 VanDerWaalsContact O-CA 3.27Å; P432-G479 WeakPolarHBondContact O-CA 3.49Å; P432-G479 PolarHBondContact O-N 3.47Å; S477-G479 PolarHBondContact O-N 3.23Å
480	S	97.4	Very high	95.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-7	-178.4	-61	0	0	0	0	114.2	M274 G275 Y433 G434 N435 S477 R478	M274-S480 PolarHBondContact N-O 3.46Å; G275-S480 WeakPolarHBondContact O-CB 3.49Å; G275-S480 PolarHBondContact O-OG 2.93Å; Y433-S480 WeakPolarHBondContact CB-OG 3.5Å; G434-S480 PolarHBondContact N-OG 2.8Å; G434-S480 VanDerWaalsContact N-OG 3.12Å; N435-S480 WeakPolarHBondContact CB-OG 3.37Å; N435-S480 PolarHBondContact N-OG 3.17Å; S477-S480 WeakPolarHBondContact O-CB 3.13Å; S477-S480 PolarHBondContact O-N 2.84Å; R478-S480 PolarHBondContact O-N 3.31Å; R478-S480 VanDerWaalsContact O-N 3.08Å
481	F	97.9	Very high	95.3	Very high	18 Å²	18	41.2 Å²	41.2	8%	0.079	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	144.3	-179.5	-175.1	-106.2	0	0	0	112.2	Q271 S272 G476 R478 G483 T485 F487	Q271-F481 HydrophobicContact CB-CE2 4.08Å; Q271-F481 HydrophobicContact CB-CZ 4.01Å; S272-F481 CarbonylContact O-C 3.46Å; S272-F481 WeakPolarHBondContact O-CA 3.28Å; S272-F481 WeakPolarHBondContact O-CD2 3.24Å; G476-F481 VanDerWaalsContact O-CB 3.28Å; G476-F481 WeakPolarHBondContact O-CB 3.35Å; R478-F481 PolarHBondContact O-N 3.38Å; F481-G483 VanDerWaalsContact CE1-C 3.41Å; F481-G483 VanDerWaalsContact CE1-O 3.25Å; F481-G483 WeakPolarHBondContact CE1-O 3.12Å; F481-T485 WeakPolarHBondContact CZ-O 3.44Å; F481-F487 HydrophobicContact CD2-CE2 4.05Å; F481-F487 HydrophobicContact CE2-CD2 4.43Å; F481-F487 AromaticContact CE2-CE2 3.63Å; F481-F487 HydrophobicContact CE2-CE2 3.63Å; F481-F487 HydrophobicContact CE2-CZ 4.32Å
482	R	97.8	Very high	95.5	Very high	76 Å²	76	36.4 Å²	36.4	29%	0.287	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130	167.6	-59.5	-74.5	-178.1	-91.6	-5.3	109.2	E257 Y260 S272 M274 R478	E257-R482 IonicContact OE1-NH2 3.27Å; E257-R482 PolarHBondContact OE1-NH2 3.3Å; Y260-R482 HydrophobicContact CD1-CB 3.86Å; Y260-R482 HydrophobicContact CD1-CG 4.32Å; Y260-R482 HydrophobicContact CD2-CB 3.41Å; Y260-R482 VanDerWaalsContact CD2-CB 3.41Å; Y260-R482 HydrophobicContact CE1-CB 4.12Å; Y260-R482 VanDerWaalsContact CE2-C 3.47Å; Y260-R482 HydrophobicContact CE2-CB 3.72Å; Y260-R482 HydrophobicContact CG-CB 3.48Å; Y260-R482 VanDerWaalsContact CG-CB 3.48Å; Y260-R482 HydrophobicContact CG-CG 4.22Å; S272-R482 PolarHBondContact N-O 3.37Å; S272-R482 PolarHBondContact O-N 3.41Å; M274-R482 HydrophobicContact CE-CG 3.64Å; M274-R482 HydrophobicContact SD-CG 4.02Å; R478-R482 PolarHBondContact O-NH1 3.13Å
483	G	95.9	Very high	95.6	Very high	28 Å²	28	30.2 Å²	30.2	29%	0.289	16%	0.158	S	C	.	.	S	Bend	trans	128.1	178.7	-172.7	0	0	0	0	0	110.9	F481	F481-G483 VanDerWaalsContact CE1-C 3.41Å; F481-G483 VanDerWaalsContact CE1-O 3.25Å; F481-G483 WeakPolarHBondContact CE1-O 3.12Å
484	D	93.7	Very high	95.6	Very high	135 Å²	135	34.3 Å²	34.3	72%	0.722	18%	0.177	S	C	*	.	S	Bend	trans	-113.8	-13.8	179.1	60	2.9	0	0	0	113
485	T	95.1	Very high	95.7	Very high	8 Å²	8	34.4 Å²	34.4	5%	0.049	18%	0.177	C	C	.	.	S	Bend	trans	-129.1	119.2	-172.6	-43.3	0	0	0	0	109.6	Q271 F481 Q491 Q494 F495	Q271-T485 VanDerWaalsContact CB-O 3.28Å; Q271-T485 WeakPolarHBondContact CB-O 3.15Å; Q271-T485 PolarHBondContact OE1-O 3.12Å; F481-T485 WeakPolarHBondContact CZ-O 3.44Å; T485-Q491 HydrophobicContact CG2-CB 3.77Å; T485-Q491 WeakPolarHBondContact CG2-O 3.45Å; T485-Q494 HydrophobicContact CG2-CB 4Å; T485-F495 HydrophobicContact CG2-CB 3.76Å
486	N	95.8	Very high	96	Very high	17 Å²	17	32.6 Å²	32.6	9%	0.091	17%	0.166	C	C	.	.			trans	-83.4	174.9	-175.8	-72	-72.6	0	0	0	114	Q271 F474 T475 Q491 G492	Q271-N486 PolarHBondContact OE1-O 3.23Å; F474-N486 VanDerWaalsContact O-CB 3.24Å; F474-N486 WeakPolarHBondContact O-CB 3.4Å; F474-N486 PolarHBondContact O-OD1 3.33Å; T475-N486 HydrophobicContact CG2-CB 4.49Å; N486-Q491 HydrophobicContact CB-CB 4.32Å; N486-Q491 PolarHBondContact ND2-OE1 3.4Å; N486-Q491 CarbonylContact O-C 3.59Å; N486-Q491 WeakPolarHBondContact O-CB 3.34Å; N486-G492 PolarHBondContact O-N 3.32Å
487	F	96.4	Very high	96.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-71	143.7	-177.4	-55.5	-95.4	0	0	0	113.1	W184 M185 S248 F249 V250 Q271 N273 S473 F474 F481	W184-F487 HydrophobicContact CE3-CB 4.32Å; W184-F487 HydrophobicContact CE3-CG 4.5Å; M185-F487 HydrophobicContact CE-CE1 4.34Å; S248-F487 WeakPolarHBondContact OG-CE1 3.41Å; F249-F487 VanDerWaalsContact O-CZ 3.23Å; F249-F487 WeakPolarHBondContact O-CZ 3.33Å; V250-F487 HydrophobicContact CG2-CD1 4.2Å; V250-F487 HydrophobicContact CG2-CE1 3.58Å; V250-F487 HydrophobicContact CG2-CZ 3.82Å; Q271-F487 HydrophobicContact CB-CZ 4.42Å; Q271-F487 HydrophobicContact CG-CD1 4.48Å; Q271-F487 HydrophobicContact CG-CE1 3.95Å; Q271-F487 HydrophobicContact CG-CZ 4.01Å; N273-F487 HydrophobicContact CB-CD2 4.48Å; N273-F487 HydrophobicContact CB-CE2 3.52Å; N273-F487 HydrophobicContact CB-CZ 3.67Å; S473-F487 VanDerWaalsContact CA-O 3.25Å; S473-F487 WeakPolarHBondContact CA-O 3.47Å; S473-F487 WeakPolarHBondContact CB-O 3.38Å; F474-F487 HydrophobicContact CB-CB 4.2Å; F474-F487 HydrophobicContact CB-CD2 4.45Å; F474-F487 HydrophobicContact CD1-CD2 4.49Å; F474-F487 PolarHBondContact N-O 2.9Å; F481-F487 HydrophobicContact CD2-CE2 4.05Å; F481-F487 HydrophobicContact CE2-CD2 4.43Å; F481-F487 AromaticContact CE2-CE2 3.63Å; F481-F487 HydrophobicContact CE2-CE2 3.63Å; F481-F487 HydrophobicContact CE2-CZ 4.32Å
488	Y	96.1	Very high	96.4	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.012	18%	0.178	C	C	.	.	S	Bend	trans	47	-177.7	173.7	63	-105.4	0	0	0	115.1	V134 W184 P468 F472 S473 F474 G492	V134-Y488 HydrophobicContact CG2-CD1 4.33Å; V134-Y488 HydrophobicContact CG2-CG 4.18Å; W184-Y488 HydrophobicContact CB-CD1 3.96Å; W184-Y488 AromaticContact CD1-CD1 3.92Å; W184-Y488 AromaticContact CD2-CD1 3.56Å; W184-Y488 HydrophobicContact CD2-CD1 3.56Å; W184-Y488 AromaticContact CD2-CE1 3.4Å; W184-Y488 HydrophobicContact CD2-CE1 3.4Å; W184-Y488 AromaticContact CE2-CD1 3.92Å; W184-Y488 AromaticContact CE2-CE1 3.4Å; W184-Y488 VanDerWaalsContact CE2-CE1 3.4Å; W184-Y488 AromaticContact CE3-CD1 3.98Å; W184-Y488 HydrophobicContact CE3-CD1 3.98Å; W184-Y488 AromaticContact CE3-CE1 3.66Å; W184-Y488 HydrophobicContact CE3-CE1 3.66Å; W184-Y488 AromaticContact CG-CD1 3.56Å; W184-Y488 HydrophobicContact CG-CD1 3.56Å; W184-Y488 AromaticContact CG-CE1 3.9Å; W184-Y488 HydrophobicContact CG-CE1 3.9Å; W184-Y488 AromaticContact CH2-CE1 3.94Å; W184-Y488 HydrophobicContact CH2-CE1 3.94Å; W184-Y488 AromaticContact CZ2-CE1 3.69Å; W184-Y488 HydrophobicContact CZ2-CE1 3.69Å; W184-Y488 AromaticContact CZ3-CE1 3.92Å; W184-Y488 HydrophobicContact CZ3-CE1 3.92Å; W184-Y488 AromaticContact NE1-CE1 3.86Å; P468-Y488 PolarHBondContact O-OH 3.47Å; F472-Y488 VanDerWaalsContact O-CD2 3.28Å; F472-Y488 WeakPolarHBondContact O-CD2 3.4Å; F472-Y488 WeakPolarHBondContact O-CE2 3.33Å; S473-Y488 PolarHBondContact OG-O 3.29Å; F474-Y488 HydrophobicContact CB-CD1 4.5Å; F474-Y488 HydrophobicContact CB-CE1 3.55Å; F474-Y488 WeakPolarHBondContact CB-OH 3.24Å; F474-Y488 VanDerWaalsContact N-CZ 3.31Å; F474-Y488 PolarHBondContact N-OH 2.9Å; Y488-G492 PolarHBondContact O-N 3.43Å
489	G	95.4	Very high	96.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	56.2	-150.8	-172.9	0	0	0	0	0	113.1	M188 P470 F472 Q491 G492 I493	M188-G489 WeakPolarHBondContact CE-O 3.49Å; P470-G489 WeakPolarHBondContact O-CA 3.1Å; P470-G489 PolarHBondContact O-N 2.88Å; F472-G489 VanDerWaalsContact O-CA 3.25Å; F472-G489 WeakPolarHBondContact O-CA 3.33Å; G489-Q491 VanDerWaalsContact C-N 3.32Å; G489-Q491 PolarHBondContact O-N 3.13Å; G489-G492 PolarHBondContact O-N 2.84Å; G489-I493 WeakPolarHBondContact O-CG1 3.32Å; G489-I493 PolarHBondContact O-N 3.35Å; G489-I493 VanDerWaalsContact O-N 3.12Å
490	K	92.9	Very high	96.8	Very high	142 Å²	142	41.8 Å²	41.8	62%	0.617	20%	0.203	S	C	*	.	H	α-helix	trans	-61.8	-36.3	-178.4	-67.6	-174.4	179.8	-177.9	0	113.3	L144 I493 Q494	L144-K490 HydrophobicContact CD2-CG 4.33Å; K490-I493 PolarHBondContact O-N 3.22Å; K490-Q494 WeakPolarHBondContact O-CG 3.46Å; K490-Q494 PolarHBondContact O-N 3.28Å; K490-Q494 VanDerWaalsContact O-N 3.12Å
491	Q	96.2	Very high	96.8	Very high	47 Å²	47	46 Å²	46	22%	0.22	23%	0.229	C	C	.	.	H	α-helix	trans	-67.8	-42.3	176.7	-62.6	-170.2	48.4	0	0	110.6	S473 T485 N486 G489 I493 Q494 F495	S473-Q491 WeakPolarHBondContact OG-CB 3.43Å; S473-Q491 WeakPolarHBondContact OG-CG 3.48Å; S473-Q491 PolarHBondContact OG-N 2.98Å; T485-Q491 HydrophobicContact CG2-CB 3.77Å; T485-Q491 WeakPolarHBondContact CG2-O 3.45Å; N486-Q491 HydrophobicContact CB-CB 4.32Å; N486-Q491 PolarHBondContact ND2-OE1 3.4Å; N486-Q491 CarbonylContact O-C 3.59Å; N486-Q491 WeakPolarHBondContact O-CB 3.34Å; G489-Q491 VanDerWaalsContact C-N 3.32Å; G489-Q491 PolarHBondContact O-N 3.13Å; Q491-I493 VanDerWaalsContact C-N 3.27Å; Q491-I493 PolarHBondContact O-N 2.76Å; Q491-Q494 CarbonylContact O-C 3.56Å; Q491-Q494 WeakPolarHBondContact O-CA 3.29Å; Q491-Q494 WeakPolarHBondContact O-CB 3.38Å; Q491-Q494 PolarHBondContact O-N 2.73Å; Q491-F495 PolarHBondContact O-N 3.23Å
492	G	96.9	Very high	96.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.2	-40.2	173.2	0	0	0	0	0	113	N486 Y488 G489 Q494 F495 Y496	N486-G492 PolarHBondContact O-N 3.32Å; Y488-G492 PolarHBondContact O-N 3.43Å; G489-G492 PolarHBondContact O-N 2.84Å; G492-Q494 PolarHBondContact O-N 2.82Å; G492-F495 PolarHBondContact O-N 3.3Å; G492-Y496 WeakPolarHBondContact O-CD2 3.5Å; G492-Y496 PolarHBondContact O-N 3.29Å
493	I	97.3	Very high	96.8	Very high	5 Å²	5	47 Å²	47	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-45.3	173.3	-59.9	-64.6	0	0	0	110.9	I141 L144 M145 M188 C192 G489 K490 Q491 F495 Y496 T497	I141-I493 HydrophobicContact CD1-CD1 3.74Å; L144-I493 HydrophobicContact CB-CD1 4.26Å; L144-I493 HydrophobicContact CB-CG1 4.12Å; L144-I493 HydrophobicContact CD1-CD1 4.22Å; L144-I493 HydrophobicContact CD1-CG1 4.18Å; M145-I493 HydrophobicContact SD-CG2 4.44Å; M188-I493 HydrophobicContact CE-CD1 3.56Å; M188-I493 HydrophobicContact CE-CG1 3.84Å; C192-I493 VanDerWaalsContact SG-CD1 3.52Å; G489-I493 WeakPolarHBondContact O-CG1 3.32Å; G489-I493 PolarHBondContact O-N 3.35Å; G489-I493 VanDerWaalsContact O-N 3.12Å; K490-I493 PolarHBondContact O-N 3.22Å; Q491-I493 VanDerWaalsContact C-N 3.27Å; Q491-I493 PolarHBondContact O-N 2.76Å; I493-F495 VanDerWaalsContact C-N 3.33Å; I493-F495 PolarHBondContact O-N 3.31Å; I493-Y496 PolarHBondContact O-N 3.49Å; I493-T497 WeakPolarHBondContact O-CB 3.42Å; I493-T497 WeakPolarHBondContact O-CG2 3.21Å; I493-T497 PolarHBondContact O-N 3.13Å; I493-T497 PolarHBondContact O-OG1 3.45Å
494	Q	97.1	Very high	96.8	Very high	94 Å²	94	46.9 Å²	46.9	44%	0.439	24%	0.24	S	C	.	.	H	α-helix	trans	-64.1	-35.5	176.7	-67.8	172.2	-8.8	0	0	112.9	R269 T485 K490 Q491 G492	R269-Q494 PolarHBondContact NH1-O 2.93Å; R269-Q494 PolarHBondContact NH2-O 3.19Å; T485-Q494 HydrophobicContact CG2-CB 4Å; K490-Q494 WeakPolarHBondContact O-CG 3.46Å; K490-Q494 PolarHBondContact O-N 3.28Å; K490-Q494 VanDerWaalsContact O-N 3.12Å; Q491-Q494 CarbonylContact O-C 3.56Å; Q491-Q494 WeakPolarHBondContact O-CA 3.29Å; Q491-Q494 WeakPolarHBondContact O-CB 3.38Å; Q491-Q494 PolarHBondContact O-N 2.73Å; G492-Q494 PolarHBondContact O-N 2.82Å
495	F	98.6	Very high	96.8	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.009	22%	0.224	C	C	.	.	H	α-helix	trans	-68.1	-40.9	178.7	-176.2	-103.2	0	0	0	111.8	A246 I247 R269 Q271 T485 Q491 G492 I493	A246-F495 HydrophobicContact CB-CE1 3.76Å; A246-F495 HydrophobicContact CB-CZ 3.78Å; I247-F495 WeakPolarHBondContact O-CZ 3.32Å; R269-F495 HydrophobicContact CB-CE2 3.91Å; R269-F495 HydrophobicContact CB-CZ 4.31Å; R269-F495 VanDerWaalsContact CZ-O 3.3Å; R269-F495 PolarHBondContact NH1-O 3.37Å; Q271-F495 HydrophobicContact CB-CD2 4.12Å; Q271-F495 HydrophobicContact CB-CE2 3.77Å; Q271-F495 HydrophobicContact CB-CZ 4.09Å; Q271-F495 HydrophobicContact CG-CD1 4.21Å; Q271-F495 HydrophobicContact CG-CD2 4.17Å; Q271-F495 HydrophobicContact CG-CE1 3.85Å; Q271-F495 HydrophobicContact CG-CE2 3.81Å; Q271-F495 HydrophobicContact CG-CG 4.36Å; Q271-F495 HydrophobicContact CG-CZ 3.65Å; Q271-F495 VanDerWaalsContact OE1-CG 3.24Å; T485-F495 HydrophobicContact CG2-CB 3.76Å; Q491-F495 PolarHBondContact O-N 3.23Å; G492-F495 PolarHBondContact O-N 3.3Å; I493-F495 VanDerWaalsContact C-N 3.33Å; I493-F495 PolarHBondContact O-N 3.31Å
496	Y	98.7	Very high	96.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	6.2	-177.1	-65.6	-55	0	0	0	114.6	C169 M188 N194 Y196 S248 G492 I493	C169-Y496 HydrophobicContact CB-CD1 4.26Å; C169-Y496 HydrophobicContact CB-CE1 4.18Å; M188-Y496 HydrophobicContact CB-CD2 3.85Å; M188-Y496 HydrophobicContact CB-CE2 3.66Å; N194-Y496 PolarHBondContact ND2-O 3.17Å; Y196-Y496 AromaticContact CE2-CE1 3.92Å; Y196-Y496 HydrophobicContact CE2-CE1 3.92Å; Y196-Y496 PolarHBondContact OH-OH 2.89Å; Y196-Y496 VanDerWaalsContact OH-OH 3.08Å; S248-Y496 WeakPolarHBondContact CB-OH 3.22Å; G492-Y496 WeakPolarHBondContact O-CD2 3.5Å; G492-Y496 PolarHBondContact O-N 3.29Å; I493-Y496 PolarHBondContact O-N 3.49Å
497	T	98.6	Very high	96.2	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	163.8	179.6	63.3	0	0	0	0	112.1	M145 R163 L164 C192 R269 I493	M145-T497 HydrophobicContact CE-CG2 4.17Å; M145-T497 HydrophobicContact SD-CG2 3.91Å; R163-T497 VanDerWaalsContact CD-OG1 3.25Å; R163-T497 WeakPolarHBondContact CD-OG1 3.2Å; R163-T497 HydrophobicContact CG-CG2 3.67Å; R163-T497 WeakPolarHBondContact CG-OG1 3.43Å; R163-T497 PolarHBondContact NH1-OG1 3.38Å; L164-T497 CarbonylContact O-C 3.57Å; L164-T497 WeakPolarHBondContact O-CA 3.44Å; L164-T497 VanDerWaalsContact O-CB 3.26Å; L164-T497 WeakPolarHBondContact O-CB 3.11Å; C192-T497 HydrophobicContact CB-CG2 3.77Å; R269-T497 PolarHBondContact NH1-O 2.91Å; I493-T497 WeakPolarHBondContact O-CB 3.42Å; I493-T497 WeakPolarHBondContact O-CG2 3.21Å; I493-T497 PolarHBondContact O-N 3.13Å; I493-T497 PolarHBondContact O-OG1 3.45Å
498	Q	97.9	Very high	95.6	Very high	106 Å²	106	58.9 Å²	58.9	50%	0.495	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151.6	170.5	61.6	-177.2	-11.1	0	0	110.3	L164 I166	L164-Q498 HydrophobicContact CB-CG 4.31Å; L164-Q498 PolarHBondContact N-O 3.07Å; L164-Q498 PolarHBondContact O-N 3.31Å; I166-Q498 HydrophobicContact CG2-CB 3.97Å; I166-Q498 HydrophobicContact CG2-CG 4Å
499	I	98.2	Very high	95	Very high	83 Å²	83	63.6 Å²	63.6	43%	0.426	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	128.5	175.4	-61.3	-57.8	0	0	0	109.3	T161 Y162 R163	T161-I499 HydrophobicContact CG2-CG2 3.91Å; Y162-I499 CarbonylContact O-C 3.18Å; Y162-I499 WeakPolarHBondContact O-CA 3.38Å; R163-I499 HydrophobicContact CB-CD1 4.25Å; R163-I499 HydrophobicContact CG-CD1 4.41Å
500	K	98.3	Very high	94.3	Very high	112 Å²	112	67.8 Å²	67.8	49%	0.487	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.1	168.1	179	-177	-70	174.2	0	108.5	T161 Y162 L164	T161-K500 CarbonylContact C-O 3.57Å; T161-K500 VanDerWaalsContact CA-O 3.32Å; T161-K500 WeakPolarHBondContact CA-O 3.1Å; Y162-K500 PolarHBondContact N-O 2.99Å; Y162-K500 PolarHBondContact O-N 3.43Å; L164-K500 HydrophobicContact CD1-CB 3.84Å; L164-K500 HydrophobicContact CD1-CD 3.86Å; L164-K500 HydrophobicContact CD1-CG 4.47Å; L164-K500 HydrophobicContact CG-CB 4.5Å
501	T	98.4	Very high	93.8	Very high	89 Å²	89	65.9 Å²	65.9	55%	0.546	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.4	177.3	-53.6	0	0	0	0	110.1	T159 T161	T159-T501 HydrophobicContact CG2-CG2 3.81Å; T161-T501 HydrophobicContact CG2-CG2 4.24Å
502	V	98.2	Very high	92.9	Very high	41 Å²	41	69 Å²	69	25%	0.248	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.8	174.9	-177.2	0	0	0	0	108.1	T159 Y160 Y162	T159-V502 WeakPolarHBondContact CA-O 3.24Å; Y160-V502 HydrophobicContact CD2-CB 4Å; Y160-V502 HydrophobicContact CD2-CG2 4.48Å; Y160-V502 HydrophobicContact CE1-CB 4.36Å; Y160-V502 HydrophobicContact CE1-CG1 4.2Å; Y160-V502 HydrophobicContact CE2-CB 3.49Å; Y160-V502 VanDerWaalsContact CE2-CB 3.49Å; Y160-V502 HydrophobicContact CE2-CG1 3.89Å; Y160-V502 HydrophobicContact CE2-CG2 3.88Å; Y160-V502 PolarHBondContact N-O 3.32Å; Y160-V502 PolarHBondContact O-N 3.46Å; Y160-V502 WeakPolarHBondContact OH-CG1 3.41Å; Y162-V502 HydrophobicContact CD2-CG2 4.12Å; Y162-V502 HydrophobicContact CE2-CG2 3.9Å
503	T	97.3	Very high	91.1	Very high	72 Å²	72	73.2 Å²	73.2	44%	0.442	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.5	166.8	-53.4	0	0	0	0	107.5	I153 M157 D158 T159	I153-T503 HydrophobicContact CD1-CG2 3.73Å; M157-T503 HydrophobicContact CE-CG2 3.24Å; M157-T503 HydrophobicContact CG-CG2 3.98Å; M157-T503 HydrophobicContact SD-CG2 4.31Å; D158-T503 CarbonylContact O-C 3.55Å; D158-T503 WeakPolarHBondContact O-CA 3.4Å; D158-T503 WeakPolarHBondContact O-CG2 3.19Å; T159-T503 WeakPolarHBondContact OG1-CG2 3.35Å; T159-T503 PolarHBondContact OG1-OG1 3.32Å
504	S	96.1	Very high	89.2	Confident	27 Å²	27	82.8 Å²	82.8	19%	0.189	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128	-170.3	-174.7	0	0	0	0	109.3	M157 D158 W506	M157-S504 VanDerWaalsContact CA-O 3.29Å; M157-S504 WeakPolarHBondContact CA-O 3.2Å; D158-S504 PolarHBondContact N-O 3.17Å; D158-S504 PolarHBondContact O-N 3.36Å; S504-W506 PolarHBondContact OG-NE1 3.4Å
505	Q	93.6	Very high	87.5	Confident	86 Å²	86	83.6 Å²	83.6	40%	0.402	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.2	173.4	-174.1	177	44.9	0	0	109.7	D156 M157	D156-Q505 WeakPolarHBondContact O-CA 3.45Å; D156-Q505 WeakPolarHBondContact O-CG 3.35Å; M157-Q505 HydrophobicContact CB-CB 4.21Å; M157-Q505 HydrophobicContact CB-CG 4.2Å; M157-Q505 HydrophobicContact CG-CB 3.96Å; M157-Q505 HydrophobicContact CG-CG 4.43Å; M157-Q505 HydrophobicContact SD-CB 4.3Å
506	W	89.8	Confident	85.6	Confident	201 Å²	201	89.1 Å²	89.1	76%	0.761	47%	0.471	S	S	*	.			trans	-138.5	94.7	173.6	-65.3	102	0	0	0	108.2	D156 S504 A508	D156-W506 WeakPolarHBondContact CB-O 3.29Å; D156-W506 PolarHBondContact O-N 2.93Å; D156-W506 VanDerWaalsContact O-N 3.08Å; S504-W506 PolarHBondContact OG-NE1 3.4Å; W506-A508 PolarHBondContact O-N 2.78Å
507	K	87.5	Confident	83.9	Confident	69 Å²	69	93 Å²	93	30%	0.3	50%	0.503	S	S	.	.			trans	-59.7	131.4	-174.1	-58.4	179.1	174	-177.4	0	109.6	E509 D510	K507-E509 HydrophobicContact CB-CG 3.87Å; K507-E509 HydrophobicContact CD-CG 4.38Å; K507-E509 WeakPolarHBondContact CD-OE1 3.33Å; K507-E509 IonicContact NZ-OE1 3.27Å; K507-E509 PolarHBondContact O-N 3.34Å; K507-E509 VanDerWaalsContact O-N 3.1Å; K507-D510 WeakPolarHBondContact O-CB 3.45Å; K507-D510 PolarHBondContact O-N 2.89Å
508	A	85.6	Confident	82.3	Confident	56 Å²	56	99.6 Å²	99.6	46%	0.463	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-58	-32.2	-176.8	0	0	0	0	0	112.2	D156 W506 D510 S511	D156-A508 PolarHBondContact OD2-N 3.47Å; W506-A508 PolarHBondContact O-N 2.78Å; A508-D510 VanDerWaalsContact C-N 3.29Å; A508-D510 PolarHBondContact O-N 2.92Å; A508-S511 WeakPolarHBondContact O-CB 3.34Å; A508-S511 PolarHBondContact O-N 3.38Å; A508-S511 PolarHBondContact O-OG 3.27Å
509	E	83	Confident	80.6	Confident	101 Å²	101	99.4 Å²	99.4	47%	0.472	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-62.6	-29.7	176.2	58.6	-174.4	-173.8	0	0	113.8	K507 S511 T512 M513	K507-E509 HydrophobicContact CB-CG 3.87Å; K507-E509 HydrophobicContact CD-CG 4.38Å; K507-E509 WeakPolarHBondContact CD-OE1 3.33Å; K507-E509 IonicContact NZ-OE1 3.27Å; K507-E509 PolarHBondContact O-N 3.34Å; K507-E509 VanDerWaalsContact O-N 3.1Å; E509-S511 PolarHBondContact O-N 2.64Å; E509-S511 VanDerWaalsContact O-N 3.17Å; E509-T512 PolarHBondContact O-N 2.98Å; E509-T512 PolarHBondContact O-OG1 3.47Å; E509-M513 HydrophobicContact CB-CE 4.13Å; E509-M513 HydrophobicContact CG-CE 3.77Å; E509-M513 WeakPolarHBondContact O-CG 3.43Å; E509-M513 PolarHBondContact O-N 2.78Å; E509-M513 VanDerWaalsContact O-N 3.07Å
510	D	81.2	Confident	78.2	Confident	89 Å²	89	103.6 Å²	103.6	48%	0.476	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-65.6	-20.2	179.5	-63.9	-22.4	0	0	0	112.2	K507 A508 T512	K507-D510 WeakPolarHBondContact O-CB 3.45Å; K507-D510 PolarHBondContact O-N 2.89Å; A508-D510 VanDerWaalsContact C-N 3.29Å; A508-D510 PolarHBondContact O-N 2.92Å; D510-T512 PolarHBondContact O-N 3.18Å
511	S	80.8	Confident	76.1	Confident	101 Å²	101	102.4 Å²	102.4	71%	0.706	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-65.2	-16.4	174.4	69.2	0	0	0	0	113.6	A508 E509	A508-S511 WeakPolarHBondContact O-CB 3.34Å; A508-S511 PolarHBondContact O-N 3.38Å; A508-S511 PolarHBondContact O-OG 3.27Å; E509-S511 PolarHBondContact O-N 2.64Å; E509-S511 VanDerWaalsContact O-N 3.17Å
512	T	79.1	Confident	74.3	Confident	114 Å²	114	104.3 Å²	104.3	70%	0.699	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.5	-9	-175.1	58.4	0	0	0	0	114.6	E509 D510 K514	E509-T512 PolarHBondContact O-N 2.98Å; E509-T512 PolarHBondContact O-OG1 3.47Å; D510-T512 PolarHBondContact O-N 3.18Å; T512-K514 PolarHBondContact O-N 2.88Å
513	M	58.8	Low	71.8	Confident	87 Å²	87	111.1 Å²	111.1	43%	0.429	62%	0.62	S	S	.	*			trans	-62.6	123.7	176.5	-75	-108.5	-154.5	0	0	111.7	E509	E509-M513 HydrophobicContact CB-CE 4.13Å; E509-M513 HydrophobicContact CG-CE 3.77Å; E509-M513 WeakPolarHBondContact O-CG 3.43Å; E509-M513 PolarHBondContact O-N 2.78Å; E509-M513 VanDerWaalsContact O-N 3.07Å
514	K	57.8	Low	70	Confident	207 Å²	207	110.1 Å²	110.1	90%	0.9	62%	0.624	S	S	*	*			trans	-105.5	-1.6	172.1	-69.3	-176.1	179.1	179.1	0	113.5	T512	T512-K514 PolarHBondContact O-N 2.88Å
515	T	59.9	Low	67.3	Low	111 Å²	111	123.5 Å²	123.5	68%	0.681	67%	0.67	S	S	*	*	S	Bend	trans	-125.5	136.3	-170.8	-38.1	0	0	0	0	110.3	A517	T515-A517 PolarHBondContact O-N 3.22Å
516	P	59	Low	66	Low	117 Å²	117	125.4 Å²	125.4	76%	0.76	68%	0.684	S	S	*	*			trans	-62.3	129.6	-178	-19.4	30.1	0	0	0	112.5
517	A	62.5	Low	64.7	Low	81 Å²	81	121.4 Å²	121.4	67%	0.669	68%	0.68	S	S	*	*			trans	-91.1	126.1	167.7	0	0	0	0	0	109.8	T515	T515-A517 PolarHBondContact O-N 3.22Å
518	V	64.8	Low	63.5	Low	141 Å²	141	124.3 Å²	124.3	86%	0.855	70%	0.701	S	S	*	*			trans	-105.2	7	-177.3	-65.7	0	0	0	0	113.5
519	S	62.6	Low	62.2	Low	103 Å²	103	128.4 Å²	128.4	72%	0.72	72%	0.715	S	S	*	*	S	Bend	trans	-99.6	140.1	-176.4	-53.4	0	0	0	0	111.9
520	M	47.8	Very low	60.9	Low	171 Å²	171	130.1 Å²	130.1	84%	0.842	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-61.5	140	177	-102.9	-100.1	-158.7	0	0	112.1
521	P	54.3	Low	59.5	Low	87 Å²	87	132.8 Å²	132.8	57%	0.565	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-65.3	133.5	173.2	-14.4	27.8	0	0	0	111.5
522	T	61.1	Low	58	Low	128 Å²	128	135.1 Å²	135.1	79%	0.785	75%	0.75	S	S	*	*			trans	-118.6	153.6	169.7	56.4	0	0	0	0	109.8	G524	T522-G524 PolarHBondContact O-N 3.4Å
523	M	45.7	Very low	56.4	Low	185 Å²	185	136.7 Å²	136.7	91%	0.911	75%	0.754	S	S	*	*			trans	-69.8	93.8	173.3	-69.7	-157.1	-77.3	0	0	109.2
524	G	58.4	Low	56.2	Low	50 Å²	50	140.8 Å²	140.8	52%	0.515	78%	0.781	S	S	.	*			trans	-69.6	138.7	167.1	0	0	0	0	0	110.1	T522	T522-G524 PolarHBondContact O-N 3.4Å
525	R	40.4	Very low	56	Low	309 Å²	309	134.8 Å²	134.8	100%	1.166	77%	0.77	S	S	*	*			trans	-63.8	0	171.1	-81.5	-174.9	179	175.6	-0.1	112.1

Retrieved 525 of 525 residues in 618.5 ms (Link to these results)

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